USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 471 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 155 GLN : amide:sc= -1.93 K(o=-12,f=-15!) USER MOD Set 1.2: A 195 ASN : amide:sc= -8.98! C(o=-12!,f=-24!) USER MOD Set 1.3: A 218 CYS SG : rot 145:sc= -1.39 USER MOD Single : A 149 SER OG : rot 140:sc= -0.581 USER MOD Single : A 164 TYR OH : rot -151:sc= -2.15! USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot -110:sc= -1.42 USER MOD Single : A 186 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -2.58 K(o=-2.6,f=-11!) USER MOD Single : A 193 ASN :FLIP amide:sc= -6.15! C(o=-9!,f=-6.1!) USER MOD Single : A 198 CYS SG : rot 180:sc= -0.139 USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot 180:sc= -0.0606 USER MOD Single : A 214 MET CE :methyl -154:sc= -2.57 (180deg=-6.17!) USER MOD Single : A 215 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -13.110 5.557 7.053 1.00 0.00 N ATOM 16 CA SER A 149 -11.795 5.879 7.582 1.00 0.00 C ATOM 17 C SER A 149 -10.711 5.232 6.718 1.00 0.00 C ATOM 18 O SER A 149 -11.014 4.470 5.802 1.00 0.00 O ATOM 19 CB SER A 149 -11.660 5.420 9.035 1.00 0.00 C ATOM 20 OG SER A 149 -10.572 6.060 9.698 1.00 0.00 O ATOM 0 HA SER A 149 -11.671 6.962 7.558 1.00 0.00 H new ATOM 0 HB2 SER A 149 -12.586 5.632 9.570 1.00 0.00 H new ATOM 0 HB3 SER A 149 -11.516 4.340 9.062 1.00 0.00 H new ATOM 0 HG SER A 149 -10.836 6.289 10.614 1.00 0.00 H new ATOM 26 N ILE A 150 -9.468 5.562 7.040 1.00 0.00 N ATOM 27 CA ILE A 150 -8.337 5.023 6.305 1.00 0.00 C ATOM 28 C ILE A 150 -8.043 3.604 6.798 1.00 0.00 C ATOM 29 O ILE A 150 -7.354 2.840 6.124 1.00 0.00 O ATOM 30 CB ILE A 150 -7.138 5.968 6.399 1.00 0.00 C ATOM 31 CG1 ILE A 150 -7.562 7.419 6.166 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.022 5.535 5.445 1.00 0.00 C ATOM 33 CD1 ILE A 150 -7.848 7.674 4.685 1.00 0.00 C ATOM 0 H ILE A 150 -9.220 6.196 7.800 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.573 4.949 5.243 1.00 0.00 H new ATOM 0 HB ILE A 150 -6.737 5.910 7.411 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.451 7.641 6.756 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.776 8.091 6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.182 6.224 5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -5.694 4.528 5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.395 5.545 4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.148 8.713 4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.949 7.474 4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.651 7.017 4.351 1.00 0.00 H new ATOM 45 N LEU A 151 -8.579 3.295 7.969 1.00 0.00 N ATOM 46 CA LEU A 151 -8.383 1.983 8.558 1.00 0.00 C ATOM 47 C LEU A 151 -9.126 0.937 7.726 1.00 0.00 C ATOM 48 O LEU A 151 -8.761 -0.237 7.726 1.00 0.00 O ATOM 49 CB LEU A 151 -8.786 1.993 10.035 1.00 0.00 C ATOM 50 CG LEU A 151 -10.282 2.146 10.320 1.00 0.00 C ATOM 51 CD1 LEU A 151 -10.900 0.810 10.734 1.00 0.00 C ATOM 52 CD2 LEU A 151 -10.532 3.240 11.360 1.00 0.00 C ATOM 0 H LEU A 151 -9.149 3.932 8.526 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.327 1.713 8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -8.442 1.065 10.491 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.257 2.807 10.530 1.00 0.00 H new ATOM 0 HG LEU A 151 -10.776 2.458 9.399 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -11.963 0.946 10.931 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -10.770 0.084 9.931 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.408 0.445 11.636 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.603 3.329 11.545 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -10.024 2.982 12.289 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -10.148 4.190 10.988 1.00 0.00 H new ATOM 64 N ASP A 152 -10.158 1.402 7.035 1.00 0.00 N ATOM 65 CA ASP A 152 -10.957 0.521 6.199 1.00 0.00 C ATOM 66 C ASP A 152 -10.213 0.256 4.889 1.00 0.00 C ATOM 67 O ASP A 152 -10.609 -0.611 4.111 1.00 0.00 O ATOM 68 CB ASP A 152 -12.303 1.160 5.857 1.00 0.00 C ATOM 69 CG ASP A 152 -13.217 0.309 4.972 1.00 0.00 C ATOM 70 OD1 ASP A 152 -13.165 0.389 3.736 1.00 0.00 O ATOM 71 OD2 ASP A 152 -14.018 -0.474 5.611 1.00 0.00 O ATOM 0 H ASP A 152 -10.459 2.377 7.037 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.126 -0.405 6.749 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.828 1.385 6.786 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.120 2.111 5.356 1.00 0.00 H new ATOM 77 N ILE A 153 -9.148 1.018 4.685 1.00 0.00 N ATOM 78 CA ILE A 153 -8.345 0.876 3.482 1.00 0.00 C ATOM 79 C ILE A 153 -7.297 -0.218 3.701 1.00 0.00 C ATOM 80 O ILE A 153 -6.193 0.059 4.166 1.00 0.00 O ATOM 81 CB ILE A 153 -7.751 2.225 3.072 1.00 0.00 C ATOM 82 CG1 ILE A 153 -8.846 3.190 2.617 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.665 2.044 2.009 1.00 0.00 C ATOM 84 CD1 ILE A 153 -9.971 3.272 3.651 1.00 0.00 C ATOM 0 H ILE A 153 -8.823 1.736 5.333 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.966 0.560 2.644 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.275 2.670 3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.420 4.181 2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.251 2.861 1.660 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.259 3.017 1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.867 1.417 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -7.095 1.568 1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -10.736 3.965 3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.411 2.284 3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.568 3.625 4.600 1.00 0.00 H new ATOM 96 N ARG A 154 -7.679 -1.438 3.354 1.00 0.00 N ATOM 97 CA ARG A 154 -6.787 -2.574 3.505 1.00 0.00 C ATOM 98 C ARG A 154 -6.542 -3.241 2.150 1.00 0.00 C ATOM 99 O ARG A 154 -7.255 -2.973 1.184 1.00 0.00 O ATOM 100 CB ARG A 154 -7.367 -3.605 4.475 1.00 0.00 C ATOM 101 CG ARG A 154 -6.259 -4.455 5.100 1.00 0.00 C ATOM 102 CD ARG A 154 -6.664 -4.947 6.491 1.00 0.00 C ATOM 103 NE ARG A 154 -6.490 -6.414 6.579 1.00 0.00 N ATOM 104 CZ ARG A 154 -6.725 -7.139 7.694 1.00 0.00 C ATOM 105 NH1 ARG A 154 -7.149 -6.537 8.826 1.00 0.00 N ATOM 106 NH2 ARG A 154 -6.537 -8.445 7.660 1.00 0.00 N ATOM 0 H ARG A 154 -8.596 -1.664 2.968 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.844 -2.203 3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -7.926 -3.096 5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -8.071 -4.249 3.948 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -6.044 -5.308 4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -5.342 -3.870 5.170 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -6.058 -4.454 7.251 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -7.702 -4.683 6.691 1.00 0.00 H new ATOM 0 HE ARG A 154 -6.173 -6.909 5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -7.294 -5.528 8.843 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -7.324 -7.092 9.664 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -6.219 -8.892 6.800 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -6.710 -9.007 8.493 1.00 0.00 H new ATOM 120 N GLN A 155 -5.532 -4.099 2.123 1.00 0.00 N ATOM 121 CA GLN A 155 -5.184 -4.805 0.901 1.00 0.00 C ATOM 122 C GLN A 155 -4.506 -6.136 1.235 1.00 0.00 C ATOM 123 O GLN A 155 -3.592 -6.183 2.057 1.00 0.00 O ATOM 124 CB GLN A 155 -4.291 -3.945 0.005 1.00 0.00 C ATOM 125 CG GLN A 155 -3.448 -4.817 -0.927 1.00 0.00 C ATOM 126 CD GLN A 155 -2.012 -4.939 -0.414 1.00 0.00 C ATOM 127 OE1 GLN A 155 -1.703 -4.621 0.723 1.00 0.00 O ATOM 128 NE2 GLN A 155 -1.154 -5.416 -1.311 1.00 0.00 N ATOM 0 H GLN A 155 -4.944 -4.321 2.927 1.00 0.00 H new ATOM 0 HA GLN A 155 -6.101 -5.013 0.350 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -4.907 -3.266 -0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -3.637 -3.328 0.622 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -3.895 -5.808 -1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -3.445 -4.387 -1.929 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -1.478 -5.663 -2.246 1.00 0.00 H new ATOM 0 HE22 GLN A 155 -0.172 -5.535 -1.064 1.00 0.00 H new ATOM 196 N PRO A 160 -5.352 -6.266 -5.447 1.00 0.00 N ATOM 197 CA PRO A 160 -4.552 -5.363 -6.255 1.00 0.00 C ATOM 198 C PRO A 160 -4.125 -4.136 -5.448 1.00 0.00 C ATOM 199 O PRO A 160 -4.939 -3.537 -4.745 1.00 0.00 O ATOM 200 CB PRO A 160 -5.432 -5.015 -7.444 1.00 0.00 C ATOM 201 CG PRO A 160 -6.852 -5.361 -7.027 1.00 0.00 C ATOM 202 CD PRO A 160 -6.774 -6.217 -5.773 1.00 0.00 C ATOM 0 HA PRO A 160 -3.616 -5.813 -6.587 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -5.346 -3.958 -7.698 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -5.136 -5.580 -8.328 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -7.425 -4.454 -6.835 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -7.364 -5.899 -7.825 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.352 -5.780 -4.959 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.175 -7.215 -5.949 1.00 0.00 H new ATOM 210 N PHE A 161 -2.851 -3.797 -5.576 1.00 0.00 N ATOM 211 CA PHE A 161 -2.306 -2.652 -4.866 1.00 0.00 C ATOM 212 C PHE A 161 -2.829 -1.341 -5.458 1.00 0.00 C ATOM 213 O PHE A 161 -2.949 -0.342 -4.751 1.00 0.00 O ATOM 214 CB PHE A 161 -0.786 -2.703 -5.034 1.00 0.00 C ATOM 215 CG PHE A 161 -0.020 -1.831 -4.037 1.00 0.00 C ATOM 216 CD1 PHE A 161 -0.267 -1.945 -2.704 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.907 -0.942 -4.484 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.445 -1.138 -1.778 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.618 -0.132 -3.558 1.00 0.00 C ATOM 220 CZ PHE A 161 1.372 -0.247 -2.225 1.00 0.00 C ATOM 0 H PHE A 161 -2.180 -4.295 -6.161 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.601 -2.690 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.454 -3.736 -4.928 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.532 -2.388 -6.046 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -1.005 -2.650 -2.350 1.00 0.00 H new ATOM 0 HD2 PHE A 161 1.103 -0.852 -5.542 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.251 -1.231 -0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.354 0.575 -3.912 1.00 0.00 H new ATOM 0 HZ PHE A 161 1.912 0.369 -1.521 1.00 0.00 H new ATOM 230 N ARG A 162 -3.126 -1.389 -6.748 1.00 0.00 N ATOM 231 CA ARG A 162 -3.634 -0.217 -7.442 1.00 0.00 C ATOM 232 C ARG A 162 -4.970 0.220 -6.839 1.00 0.00 C ATOM 233 O ARG A 162 -5.167 1.399 -6.549 1.00 0.00 O ATOM 234 CB ARG A 162 -3.825 -0.501 -8.934 1.00 0.00 C ATOM 235 CG ARG A 162 -3.373 0.689 -9.781 1.00 0.00 C ATOM 236 CD ARG A 162 -4.283 0.875 -10.997 1.00 0.00 C ATOM 237 NE ARG A 162 -4.529 2.315 -11.230 1.00 0.00 N ATOM 238 CZ ARG A 162 -5.582 2.800 -11.923 1.00 0.00 C ATOM 239 NH1 ARG A 162 -6.497 1.962 -12.457 1.00 0.00 N ATOM 240 NH2 ARG A 162 -5.704 4.105 -12.071 1.00 0.00 N ATOM 0 H ARG A 162 -3.025 -2.220 -7.331 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.901 0.581 -7.326 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -3.257 -1.388 -9.215 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.874 -0.717 -9.135 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.381 1.595 -9.175 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.346 0.535 -10.111 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -3.822 0.429 -11.878 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -5.229 0.358 -10.836 1.00 0.00 H new ATOM 0 HE ARG A 162 -3.862 2.983 -10.843 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -6.396 0.954 -12.338 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -7.289 2.337 -12.979 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -5.009 4.731 -11.665 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -6.493 4.488 -12.592 1.00 0.00 H new ATOM 254 N ASP A 163 -5.852 -0.752 -6.666 1.00 0.00 N ATOM 255 CA ASP A 163 -7.164 -0.483 -6.102 1.00 0.00 C ATOM 256 C ASP A 163 -7.008 -0.072 -4.636 1.00 0.00 C ATOM 257 O ASP A 163 -7.785 0.737 -4.130 1.00 0.00 O ATOM 258 CB ASP A 163 -8.052 -1.726 -6.153 1.00 0.00 C ATOM 259 CG ASP A 163 -8.036 -2.586 -4.887 1.00 0.00 C ATOM 260 OD1 ASP A 163 -7.327 -3.600 -4.812 1.00 0.00 O ATOM 261 OD2 ASP A 163 -8.804 -2.169 -3.936 1.00 0.00 O ATOM 0 H ASP A 163 -5.684 -1.729 -6.907 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.626 0.313 -6.687 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -9.078 -1.413 -6.348 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -7.740 -2.342 -6.996 1.00 0.00 H new ATOM 267 N TYR A 164 -6.001 -0.648 -3.997 1.00 0.00 N ATOM 268 CA TYR A 164 -5.735 -0.351 -2.600 1.00 0.00 C ATOM 269 C TYR A 164 -5.288 1.102 -2.423 1.00 0.00 C ATOM 270 O TYR A 164 -5.779 1.802 -1.538 1.00 0.00 O ATOM 271 CB TYR A 164 -4.591 -1.278 -2.183 1.00 0.00 C ATOM 272 CG TYR A 164 -4.100 -1.055 -0.751 1.00 0.00 C ATOM 273 CD1 TYR A 164 -4.992 -1.100 0.300 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.763 -0.809 -0.512 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.530 -0.890 1.647 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.301 -0.599 0.837 1.00 0.00 C ATOM 277 CZ TYR A 164 -3.207 -0.650 1.849 1.00 0.00 C ATOM 278 OH TYR A 164 -2.771 -0.451 3.121 1.00 0.00 O ATOM 0 H TYR A 164 -5.360 -1.319 -4.421 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.633 -0.497 -1.999 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -4.919 -2.312 -2.287 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.755 -1.138 -2.869 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -6.038 -1.293 0.112 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -2.064 -0.774 -1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -5.219 -0.922 2.478 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -1.258 -0.405 1.039 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.985 0.135 3.110 1.00 0.00 H new ATOM 288 N VAL A 165 -4.365 1.511 -3.279 1.00 0.00 N ATOM 289 CA VAL A 165 -3.847 2.868 -3.229 1.00 0.00 C ATOM 290 C VAL A 165 -4.982 3.853 -3.510 1.00 0.00 C ATOM 291 O VAL A 165 -5.101 4.878 -2.839 1.00 0.00 O ATOM 292 CB VAL A 165 -2.672 3.016 -4.198 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.492 4.476 -4.621 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.384 2.460 -3.587 1.00 0.00 C ATOM 0 H VAL A 165 -3.962 0.927 -4.012 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.461 3.093 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.898 2.433 -5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.651 4.554 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.399 4.826 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.298 5.089 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.565 2.578 -4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.152 3.003 -2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.517 1.403 -3.358 1.00 0.00 H new ATOM 304 N ASP A 166 -5.789 3.510 -4.504 1.00 0.00 N ATOM 305 CA ASP A 166 -6.911 4.351 -4.883 1.00 0.00 C ATOM 306 C ASP A 166 -7.839 4.529 -3.679 1.00 0.00 C ATOM 307 O ASP A 166 -8.349 5.622 -3.441 1.00 0.00 O ATOM 308 CB ASP A 166 -7.720 3.713 -6.013 1.00 0.00 C ATOM 309 CG ASP A 166 -7.177 3.968 -7.421 1.00 0.00 C ATOM 310 OD1 ASP A 166 -6.822 5.103 -7.772 1.00 0.00 O ATOM 311 OD2 ASP A 166 -7.126 2.928 -8.182 1.00 0.00 O ATOM 0 H ASP A 166 -5.687 2.660 -5.059 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.516 5.310 -5.219 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -7.763 2.637 -5.846 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.743 4.085 -5.962 1.00 0.00 H new ATOM 317 N ARG A 167 -8.028 3.438 -2.953 1.00 0.00 N ATOM 318 CA ARG A 167 -8.885 3.460 -1.779 1.00 0.00 C ATOM 319 C ARG A 167 -8.253 4.312 -0.675 1.00 0.00 C ATOM 320 O ARG A 167 -8.925 5.145 -0.067 1.00 0.00 O ATOM 321 CB ARG A 167 -9.126 2.046 -1.247 1.00 0.00 C ATOM 322 CG ARG A 167 -10.613 1.808 -0.981 1.00 0.00 C ATOM 323 CD ARG A 167 -11.046 0.428 -1.484 1.00 0.00 C ATOM 324 NE ARG A 167 -12.061 -0.147 -0.573 1.00 0.00 N ATOM 325 CZ ARG A 167 -12.618 -1.366 -0.735 1.00 0.00 C ATOM 326 NH1 ARG A 167 -12.262 -2.149 -1.776 1.00 0.00 N ATOM 327 NH2 ARG A 167 -13.514 -1.782 0.140 1.00 0.00 N ATOM 0 H ARG A 167 -7.603 2.533 -3.154 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.841 3.893 -2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.760 1.315 -1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.560 1.898 -0.327 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.812 1.889 0.088 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.203 2.581 -1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -11.454 0.511 -2.491 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -10.182 -0.234 -1.544 1.00 0.00 H new ATOM 0 HE ARG A 167 -12.358 0.412 0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -11.568 -1.821 -2.447 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -12.688 -3.069 -1.891 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -13.776 -1.185 0.924 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -13.944 -2.700 0.032 1.00 0.00 H new ATOM 341 N PHE A 168 -6.969 4.075 -0.450 1.00 0.00 N ATOM 342 CA PHE A 168 -6.239 4.809 0.569 1.00 0.00 C ATOM 343 C PHE A 168 -6.294 6.316 0.304 1.00 0.00 C ATOM 344 O PHE A 168 -6.566 7.099 1.212 1.00 0.00 O ATOM 345 CB PHE A 168 -4.783 4.344 0.498 1.00 0.00 C ATOM 346 CG PHE A 168 -3.891 4.926 1.596 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.277 6.126 1.409 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.712 4.245 2.760 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.448 6.667 2.428 1.00 0.00 C ATOM 350 CE2 PHE A 168 -2.882 4.786 3.778 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.269 5.985 3.590 1.00 0.00 C ATOM 0 H PHE A 168 -6.415 3.384 -0.957 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.679 4.623 1.549 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.756 3.256 0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.372 4.618 -0.474 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.420 6.667 0.485 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.201 3.294 2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -1.961 7.619 2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.738 4.245 4.701 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.639 6.396 4.365 1.00 0.00 H new ATOM 361 N TYR A 169 -6.033 6.675 -0.944 1.00 0.00 N ATOM 362 CA TYR A 169 -6.050 8.072 -1.339 1.00 0.00 C ATOM 363 C TYR A 169 -7.485 8.589 -1.468 1.00 0.00 C ATOM 364 O TYR A 169 -7.723 9.793 -1.399 1.00 0.00 O ATOM 365 CB TYR A 169 -5.373 8.131 -2.710 1.00 0.00 C ATOM 366 CG TYR A 169 -3.846 8.062 -2.655 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.226 7.053 -1.945 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.088 9.008 -3.314 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.789 6.988 -1.893 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.650 8.943 -3.261 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.071 7.936 -2.553 1.00 0.00 C ATOM 372 OH TYR A 169 0.286 7.874 -2.504 1.00 0.00 O ATOM 0 H TYR A 169 -5.809 6.022 -1.695 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.543 8.687 -0.596 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.742 7.307 -3.321 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.667 9.054 -3.209 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.819 6.313 -1.429 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.573 9.797 -3.870 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.292 6.204 -1.342 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.045 9.677 -3.772 1.00 0.00 H new ATOM 0 HH TYR A 169 0.666 8.614 -3.022 1.00 0.00 H new ATOM 382 N LYS A 170 -8.402 7.651 -1.656 1.00 0.00 N ATOM 383 CA LYS A 170 -9.807 7.996 -1.796 1.00 0.00 C ATOM 384 C LYS A 170 -10.358 8.429 -0.437 1.00 0.00 C ATOM 385 O LYS A 170 -11.079 9.423 -0.344 1.00 0.00 O ATOM 386 CB LYS A 170 -10.581 6.841 -2.434 1.00 0.00 C ATOM 387 CG LYS A 170 -10.626 6.987 -3.957 1.00 0.00 C ATOM 388 CD LYS A 170 -11.016 5.666 -4.623 1.00 0.00 C ATOM 389 CE LYS A 170 -12.019 5.895 -5.754 1.00 0.00 C ATOM 390 NZ LYS A 170 -13.248 5.101 -5.526 1.00 0.00 N ATOM 0 H LYS A 170 -8.200 6.653 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 170 -9.927 8.842 -2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.111 5.894 -2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.596 6.815 -2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.342 7.762 -4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.652 7.310 -4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.125 5.177 -5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -11.447 4.994 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -12.270 6.954 -5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -11.571 5.616 -6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -13.918 5.268 -6.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -13.006 4.090 -5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -13.684 5.386 -4.626 1.00 0.00 H new ATOM 404 N THR A 171 -10.000 7.665 0.583 1.00 0.00 N ATOM 405 CA THR A 171 -10.450 7.958 1.933 1.00 0.00 C ATOM 406 C THR A 171 -9.698 9.165 2.496 1.00 0.00 C ATOM 407 O THR A 171 -10.283 9.998 3.187 1.00 0.00 O ATOM 408 CB THR A 171 -10.281 6.689 2.773 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.200 5.765 2.198 1.00 0.00 O ATOM 410 CG2 THR A 171 -10.781 6.868 4.209 1.00 0.00 C ATOM 0 H THR A 171 -9.403 6.842 0.502 1.00 0.00 H new ATOM 0 HA THR A 171 -11.504 8.237 1.947 1.00 0.00 H new ATOM 0 HB THR A 171 -9.230 6.401 2.787 1.00 0.00 H new ATOM 0 HG1 THR A 171 -11.941 5.610 2.821 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.639 5.940 4.762 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.220 7.668 4.692 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.840 7.124 4.196 1.00 0.00 H new ATOM 418 N LEU A 172 -8.413 9.221 2.181 1.00 0.00 N ATOM 419 CA LEU A 172 -7.574 10.313 2.646 1.00 0.00 C ATOM 420 C LEU A 172 -8.158 11.642 2.162 1.00 0.00 C ATOM 421 O LEU A 172 -8.224 12.608 2.920 1.00 0.00 O ATOM 422 CB LEU A 172 -6.121 10.090 2.224 1.00 0.00 C ATOM 423 CG LEU A 172 -5.605 10.988 1.098 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.572 12.453 1.537 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.240 10.510 0.597 1.00 0.00 C ATOM 0 H LEU A 172 -7.931 8.527 1.609 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.563 10.347 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.484 10.233 3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -6.009 9.051 1.914 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.299 10.918 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.201 13.070 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.578 12.775 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -4.913 12.560 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -3.896 11.166 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.523 10.532 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.327 9.491 0.219 1.00 0.00 H new ATOM 437 N ARG A 173 -8.570 11.646 0.902 1.00 0.00 N ATOM 438 CA ARG A 173 -9.147 12.840 0.308 1.00 0.00 C ATOM 439 C ARG A 173 -10.609 12.990 0.731 1.00 0.00 C ATOM 440 O ARG A 173 -11.279 13.943 0.335 1.00 0.00 O ATOM 441 CB ARG A 173 -9.067 12.788 -1.220 1.00 0.00 C ATOM 442 CG ARG A 173 -8.577 14.120 -1.789 1.00 0.00 C ATOM 443 CD ARG A 173 -9.018 14.293 -3.242 1.00 0.00 C ATOM 444 NE ARG A 173 -8.985 15.724 -3.617 1.00 0.00 N ATOM 445 CZ ARG A 173 -9.318 16.196 -4.836 1.00 0.00 C ATOM 446 NH1 ARG A 173 -9.712 15.351 -5.812 1.00 0.00 N ATOM 447 NH2 ARG A 173 -9.252 17.495 -5.060 1.00 0.00 N ATOM 0 H ARG A 173 -8.516 10.842 0.277 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.574 13.697 0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -8.393 11.988 -1.525 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -10.048 12.552 -1.631 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -8.966 14.941 -1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -7.490 14.167 -1.728 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -8.363 13.722 -3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -10.025 13.898 -3.374 1.00 0.00 H new ATOM 0 HE ARG A 173 -8.692 16.397 -2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -9.759 14.348 -5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -9.962 15.715 -6.731 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -8.953 18.126 -4.317 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -9.500 17.868 -5.976 1.00 0.00 H new ATOM 461 N ALA A 174 -11.062 12.035 1.530 1.00 0.00 N ATOM 462 CA ALA A 174 -12.433 12.048 2.011 1.00 0.00 C ATOM 463 C ALA A 174 -12.486 12.759 3.364 1.00 0.00 C ATOM 464 O ALA A 174 -13.558 13.148 3.824 1.00 0.00 O ATOM 465 CB ALA A 174 -12.964 10.615 2.083 1.00 0.00 C ATOM 0 H ALA A 174 -10.503 11.247 1.857 1.00 0.00 H new ATOM 0 HA ALA A 174 -13.076 12.598 1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -13.992 10.626 2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -12.932 10.165 1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.346 10.032 2.766 1.00 0.00 H new ATOM 630 N THR A 186 1.689 9.127 5.910 1.00 0.00 N ATOM 631 CA THR A 186 0.722 8.548 4.994 1.00 0.00 C ATOM 632 C THR A 186 1.211 7.188 4.491 1.00 0.00 C ATOM 633 O THR A 186 0.536 6.177 4.672 1.00 0.00 O ATOM 634 CB THR A 186 0.472 9.556 3.871 1.00 0.00 C ATOM 635 OG1 THR A 186 -0.201 8.801 2.867 1.00 0.00 O ATOM 636 CG2 THR A 186 1.766 10.010 3.192 1.00 0.00 C ATOM 0 HA THR A 186 -0.227 8.353 5.493 1.00 0.00 H new ATOM 0 HB THR A 186 -0.050 10.424 4.274 1.00 0.00 H new ATOM 0 HG1 THR A 186 -0.402 9.380 2.102 1.00 0.00 H new ATOM 0 HG21 THR A 186 1.532 10.725 2.403 1.00 0.00 H new ATOM 0 HG22 THR A 186 2.417 10.483 3.928 1.00 0.00 H new ATOM 0 HG23 THR A 186 2.273 9.147 2.761 1.00 0.00 H new ATOM 644 N GLU A 187 2.380 7.209 3.869 1.00 0.00 N ATOM 645 CA GLU A 187 2.968 5.991 3.339 1.00 0.00 C ATOM 646 C GLU A 187 3.089 4.936 4.442 1.00 0.00 C ATOM 647 O GLU A 187 3.022 3.739 4.170 1.00 0.00 O ATOM 648 CB GLU A 187 4.328 6.271 2.696 1.00 0.00 C ATOM 649 CG GLU A 187 5.372 6.626 3.756 1.00 0.00 C ATOM 650 CD GLU A 187 5.307 8.111 4.116 1.00 0.00 C ATOM 651 OE1 GLU A 187 4.304 8.567 4.685 1.00 0.00 O ATOM 652 OE2 GLU A 187 6.347 8.798 3.785 1.00 0.00 O ATOM 0 H GLU A 187 2.936 8.051 3.720 1.00 0.00 H new ATOM 0 HA GLU A 187 2.310 5.602 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.657 5.396 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.235 7.090 1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 187 5.207 6.024 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 187 6.368 6.381 3.387 1.00 0.00 H new ATOM 660 N THR A 188 3.267 5.420 5.662 1.00 0.00 N ATOM 661 CA THR A 188 3.399 4.535 6.806 1.00 0.00 C ATOM 662 C THR A 188 2.062 3.858 7.114 1.00 0.00 C ATOM 663 O THR A 188 2.028 2.688 7.491 1.00 0.00 O ATOM 664 CB THR A 188 3.947 5.354 7.977 1.00 0.00 C ATOM 665 OG1 THR A 188 5.080 4.612 8.420 1.00 0.00 O ATOM 666 CG2 THR A 188 3.006 5.355 9.182 1.00 0.00 C ATOM 0 H THR A 188 3.323 6.414 5.883 1.00 0.00 H new ATOM 0 HA THR A 188 4.099 3.725 6.600 1.00 0.00 H new ATOM 0 HB THR A 188 4.120 6.380 7.652 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.497 5.073 9.177 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.443 5.950 9.984 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.046 5.783 8.894 1.00 0.00 H new ATOM 0 HG23 THR A 188 2.858 4.332 9.529 1.00 0.00 H new ATOM 674 N LEU A 189 0.994 4.622 6.938 1.00 0.00 N ATOM 675 CA LEU A 189 -0.342 4.109 7.192 1.00 0.00 C ATOM 676 C LEU A 189 -0.699 3.076 6.121 1.00 0.00 C ATOM 677 O LEU A 189 -1.202 1.999 6.437 1.00 0.00 O ATOM 678 CB LEU A 189 -1.346 5.258 7.296 1.00 0.00 C ATOM 679 CG LEU A 189 -1.840 5.593 8.705 1.00 0.00 C ATOM 680 CD1 LEU A 189 -2.661 6.884 8.706 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.616 4.419 9.306 1.00 0.00 C ATOM 0 H LEU A 189 1.026 5.592 6.623 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.377 3.597 8.154 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.890 6.152 6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.210 5.016 6.678 1.00 0.00 H new ATOM 0 HG LEU A 189 -0.971 5.764 9.341 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -3.000 7.099 9.719 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -2.044 7.708 8.347 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -3.525 6.766 8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -2.956 4.682 10.307 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -3.478 4.193 8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -1.968 3.545 9.361 1.00 0.00 H new ATOM 693 N LEU A 190 -0.425 3.441 4.877 1.00 0.00 N ATOM 694 CA LEU A 190 -0.710 2.558 3.759 1.00 0.00 C ATOM 695 C LEU A 190 0.015 1.228 3.965 1.00 0.00 C ATOM 696 O LEU A 190 -0.559 0.163 3.743 1.00 0.00 O ATOM 697 CB LEU A 190 -0.368 3.246 2.435 1.00 0.00 C ATOM 698 CG LEU A 190 -0.357 2.347 1.196 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.561 2.639 0.298 1.00 0.00 C ATOM 700 CD2 LEU A 190 0.966 2.471 0.440 1.00 0.00 C ATOM 0 H LEU A 190 -0.009 4.336 4.619 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.776 2.335 3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -1.085 4.050 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.614 3.710 2.532 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.443 1.311 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.530 1.987 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.481 2.458 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.530 3.680 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.947 1.822 -0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 190 1.108 3.504 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.787 2.175 1.093 1.00 0.00 H new ATOM 712 N VAL A 191 1.266 1.331 4.391 1.00 0.00 N ATOM 713 CA VAL A 191 2.075 0.147 4.632 1.00 0.00 C ATOM 714 C VAL A 191 1.520 -0.606 5.842 1.00 0.00 C ATOM 715 O VAL A 191 1.324 -1.820 5.785 1.00 0.00 O ATOM 716 CB VAL A 191 3.544 0.543 4.794 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.370 -0.628 5.331 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.121 1.065 3.478 1.00 0.00 C ATOM 0 H VAL A 191 1.739 2.216 4.575 1.00 0.00 H new ATOM 0 HA VAL A 191 2.027 -0.530 3.779 1.00 0.00 H new ATOM 0 HB VAL A 191 3.595 1.351 5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.410 -0.321 5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 191 3.981 -0.933 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.308 -1.466 4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.166 1.339 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.051 0.288 2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.558 1.941 3.156 1.00 0.00 H new ATOM 728 N GLN A 192 1.284 0.143 6.909 1.00 0.00 N ATOM 729 CA GLN A 192 0.757 -0.440 8.131 1.00 0.00 C ATOM 730 C GLN A 192 -0.622 -1.053 7.874 1.00 0.00 C ATOM 731 O GLN A 192 -0.944 -2.111 8.414 1.00 0.00 O ATOM 732 CB GLN A 192 0.694 0.600 9.252 1.00 0.00 C ATOM 733 CG GLN A 192 1.868 0.434 10.219 1.00 0.00 C ATOM 734 CD GLN A 192 3.170 0.936 9.593 1.00 0.00 C ATOM 735 OE1 GLN A 192 3.362 0.906 8.389 1.00 0.00 O ATOM 736 NE2 GLN A 192 4.052 1.396 10.476 1.00 0.00 N ATOM 0 H GLN A 192 1.448 1.149 6.953 1.00 0.00 H new ATOM 0 HA GLN A 192 1.432 -1.233 8.453 1.00 0.00 H new ATOM 0 HB2 GLN A 192 0.709 1.603 8.824 1.00 0.00 H new ATOM 0 HB3 GLN A 192 -0.246 0.499 9.795 1.00 0.00 H new ATOM 0 HG2 GLN A 192 1.667 0.984 11.138 1.00 0.00 H new ATOM 0 HG3 GLN A 192 1.973 -0.616 10.492 1.00 0.00 H new ATOM 0 HE21 GLN A 192 3.827 1.392 11.471 1.00 0.00 H new ATOM 0 HE22 GLN A 192 4.953 1.752 10.158 1.00 0.00 H new ATOM 745 N ASN A 193 -1.397 -0.364 7.051 1.00 0.00 N ATOM 746 CA ASN A 193 -2.732 -0.828 6.716 1.00 0.00 C ATOM 747 C ASN A 193 -2.667 -1.697 5.459 1.00 0.00 C ATOM 748 O ASN A 193 -3.683 -1.929 4.807 1.00 0.00 O ATOM 749 CB ASN A 193 -3.668 0.348 6.429 1.00 0.00 C ATOM 750 CG ASN A 193 -5.134 -0.082 6.517 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.968 0.903 6.837 1.00 0.00 O flip ATOM 752 ND2 ASN A 193 -5.484 -1.233 6.310 1.00 0.00 N flip ATOM 0 H ASN A 193 -1.126 0.513 6.606 1.00 0.00 H new ATOM 0 HA ASN A 193 -3.114 -1.395 7.565 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.478 1.151 7.141 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.462 0.747 5.436 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -4.791 -1.941 6.068 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -6.470 -1.487 6.379 1.00 0.00 H new ATOM 759 N ALA A 194 -1.460 -2.153 5.158 1.00 0.00 N ATOM 760 CA ALA A 194 -1.247 -2.993 3.990 1.00 0.00 C ATOM 761 C ALA A 194 -0.883 -4.406 4.444 1.00 0.00 C ATOM 762 O ALA A 194 -0.471 -4.610 5.585 1.00 0.00 O ATOM 763 CB ALA A 194 -0.168 -2.369 3.103 1.00 0.00 C ATOM 0 H ALA A 194 -0.620 -1.957 5.702 1.00 0.00 H new ATOM 0 HA ALA A 194 -2.158 -3.062 3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 194 -0.008 -2.998 2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -0.488 -1.377 2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 194 0.762 -2.286 3.665 1.00 0.00 H new ATOM 769 N ASN A 195 -1.051 -5.348 3.526 1.00 0.00 N ATOM 770 CA ASN A 195 -0.744 -6.739 3.818 1.00 0.00 C ATOM 771 C ASN A 195 0.565 -6.814 4.607 1.00 0.00 C ATOM 772 O ASN A 195 1.331 -5.853 4.639 1.00 0.00 O ATOM 773 CB ASN A 195 -0.567 -7.546 2.530 1.00 0.00 C ATOM 774 CG ASN A 195 0.120 -6.708 1.449 1.00 0.00 C ATOM 775 OD1 ASN A 195 0.338 -5.517 1.596 1.00 0.00 O ATOM 776 ND2 ASN A 195 0.446 -7.395 0.358 1.00 0.00 N ATOM 0 H ASN A 195 -1.395 -5.176 2.581 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.572 -7.153 4.392 1.00 0.00 H new ATOM 0 HB2 ASN A 195 0.024 -8.439 2.734 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -1.539 -7.883 2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 195 0.908 -6.926 -0.421 1.00 0.00 H new ATOM 0 HD22 ASN A 195 0.234 -8.391 0.300 1.00 0.00 H new ATOM 783 N PRO A 196 0.786 -7.997 5.242 1.00 0.00 N ATOM 784 CA PRO A 196 1.989 -8.210 6.029 1.00 0.00 C ATOM 785 C PRO A 196 3.203 -8.428 5.125 1.00 0.00 C ATOM 786 O PRO A 196 4.243 -7.797 5.313 1.00 0.00 O ATOM 787 CB PRO A 196 1.676 -9.412 6.905 1.00 0.00 C ATOM 788 CG PRO A 196 0.494 -10.110 6.251 1.00 0.00 C ATOM 789 CD PRO A 196 -0.100 -9.157 5.227 1.00 0.00 C ATOM 0 HA PRO A 196 2.252 -7.346 6.640 1.00 0.00 H new ATOM 0 HB2 PRO A 196 2.535 -10.080 6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.433 -9.102 7.921 1.00 0.00 H new ATOM 0 HG2 PRO A 196 0.814 -11.035 5.771 1.00 0.00 H new ATOM 0 HG3 PRO A 196 -0.252 -10.380 6.999 1.00 0.00 H new ATOM 0 HD2 PRO A 196 -0.139 -9.613 4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -1.121 -8.879 5.490 1.00 0.00 H new ATOM 797 N ASP A 197 3.033 -9.324 4.164 1.00 0.00 N ATOM 798 CA ASP A 197 4.102 -9.634 3.230 1.00 0.00 C ATOM 799 C ASP A 197 4.669 -8.331 2.661 1.00 0.00 C ATOM 800 O ASP A 197 5.883 -8.140 2.629 1.00 0.00 O ATOM 801 CB ASP A 197 3.587 -10.476 2.063 1.00 0.00 C ATOM 802 CG ASP A 197 2.978 -11.823 2.457 1.00 0.00 C ATOM 803 OD1 ASP A 197 1.791 -12.085 2.206 1.00 0.00 O ATOM 804 OD2 ASP A 197 3.785 -12.633 3.054 1.00 0.00 O ATOM 0 H ASP A 197 2.170 -9.846 4.012 1.00 0.00 H new ATOM 0 HA ASP A 197 4.868 -10.194 3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.837 -9.899 1.522 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.411 -10.655 1.372 1.00 0.00 H new ATOM 810 N CYS A 198 3.761 -7.471 2.224 1.00 0.00 N ATOM 811 CA CYS A 198 4.155 -6.192 1.657 1.00 0.00 C ATOM 812 C CYS A 198 5.012 -5.453 2.687 1.00 0.00 C ATOM 813 O CYS A 198 5.954 -4.749 2.326 1.00 0.00 O ATOM 814 CB CYS A 198 2.940 -5.366 1.227 1.00 0.00 C ATOM 815 SG CYS A 198 3.481 -3.935 0.222 1.00 0.00 S ATOM 0 H CYS A 198 2.755 -7.634 2.251 1.00 0.00 H new ATOM 0 HA CYS A 198 4.739 -6.357 0.752 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.253 -5.986 0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.396 -5.019 2.106 1.00 0.00 H new ATOM 0 HG CYS A 198 2.443 -3.241 -0.140 1.00 0.00 H new ATOM 821 N LYS A 199 4.652 -5.636 3.950 1.00 0.00 N ATOM 822 CA LYS A 199 5.377 -4.996 5.033 1.00 0.00 C ATOM 823 C LYS A 199 6.853 -5.389 4.957 1.00 0.00 C ATOM 824 O LYS A 199 7.734 -4.535 5.059 1.00 0.00 O ATOM 825 CB LYS A 199 4.724 -5.320 6.378 1.00 0.00 C ATOM 826 CG LYS A 199 5.139 -4.306 7.448 1.00 0.00 C ATOM 827 CD LYS A 199 3.931 -3.853 8.272 1.00 0.00 C ATOM 828 CE LYS A 199 4.151 -4.123 9.761 1.00 0.00 C ATOM 829 NZ LYS A 199 3.745 -5.504 10.103 1.00 0.00 N ATOM 0 H LYS A 199 3.868 -6.218 4.246 1.00 0.00 H new ATOM 0 HA LYS A 199 5.331 -3.912 4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.639 -5.317 6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 199 5.010 -6.324 6.693 1.00 0.00 H new ATOM 0 HG2 LYS A 199 5.886 -4.751 8.105 1.00 0.00 H new ATOM 0 HG3 LYS A 199 5.605 -3.442 6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 199 3.757 -2.789 8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 199 3.037 -4.376 7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 199 5.201 -3.974 10.012 1.00 0.00 H new ATOM 0 HE3 LYS A 199 3.577 -3.411 10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 3.901 -5.670 11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 2.737 -5.634 9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 4.311 -6.179 9.550 1.00 0.00 H new ATOM 843 N THR A 200 7.081 -6.682 4.778 1.00 0.00 N ATOM 844 CA THR A 200 8.437 -7.198 4.687 1.00 0.00 C ATOM 845 C THR A 200 9.149 -6.613 3.467 1.00 0.00 C ATOM 846 O THR A 200 10.316 -6.234 3.547 1.00 0.00 O ATOM 847 CB THR A 200 8.360 -8.727 4.671 1.00 0.00 C ATOM 848 OG1 THR A 200 7.892 -9.064 5.975 1.00 0.00 O ATOM 849 CG2 THR A 200 9.740 -9.381 4.590 1.00 0.00 C ATOM 0 H THR A 200 6.350 -7.388 4.694 1.00 0.00 H new ATOM 0 HA THR A 200 9.034 -6.897 5.548 1.00 0.00 H new ATOM 0 HB THR A 200 7.754 -9.052 3.825 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.811 -10.038 6.052 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.629 -10.465 4.582 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.241 -9.061 3.677 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.335 -9.084 5.454 1.00 0.00 H new ATOM 857 N ILE A 201 8.417 -6.559 2.363 1.00 0.00 N ATOM 858 CA ILE A 201 8.963 -6.026 1.128 1.00 0.00 C ATOM 859 C ILE A 201 9.281 -4.541 1.313 1.00 0.00 C ATOM 860 O ILE A 201 10.252 -4.035 0.755 1.00 0.00 O ATOM 861 CB ILE A 201 8.021 -6.312 -0.044 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.322 -7.662 0.133 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.762 -6.221 -1.378 1.00 0.00 C ATOM 864 CD1 ILE A 201 7.142 -8.366 -1.214 1.00 0.00 C ATOM 0 H ILE A 201 7.450 -6.876 2.299 1.00 0.00 H new ATOM 0 HA ILE A 201 9.901 -6.524 0.882 1.00 0.00 H new ATOM 0 HB ILE A 201 7.246 -5.546 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.906 -8.293 0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.350 -7.514 0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 201 8.070 -6.429 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 201 9.174 -5.219 -1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.572 -6.951 -1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.643 -9.323 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.537 -7.743 -1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 201 8.118 -8.535 -1.670 1.00 0.00 H new ATOM 876 N LEU A 202 8.441 -3.884 2.100 1.00 0.00 N ATOM 877 CA LEU A 202 8.619 -2.466 2.366 1.00 0.00 C ATOM 878 C LEU A 202 9.857 -2.269 3.242 1.00 0.00 C ATOM 879 O LEU A 202 10.566 -1.272 3.103 1.00 0.00 O ATOM 880 CB LEU A 202 7.342 -1.868 2.961 1.00 0.00 C ATOM 881 CG LEU A 202 6.680 -0.755 2.147 1.00 0.00 C ATOM 882 CD1 LEU A 202 7.730 0.162 1.517 1.00 0.00 C ATOM 883 CD2 LEU A 202 5.723 -1.334 1.103 1.00 0.00 C ATOM 0 H LEU A 202 7.636 -4.307 2.562 1.00 0.00 H new ATOM 0 HA LEU A 202 8.795 -1.922 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.618 -2.671 3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.575 -1.477 3.952 1.00 0.00 H new ATOM 0 HG LEU A 202 6.084 -0.144 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 202 7.233 0.945 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 202 8.335 0.616 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 202 8.372 -0.420 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 202 5.266 -0.522 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 202 6.275 -1.983 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 202 4.945 -1.911 1.603 1.00 0.00 H new ATOM 895 N LYS A 203 10.080 -3.232 4.122 1.00 0.00 N ATOM 896 CA LYS A 203 11.221 -3.175 5.021 1.00 0.00 C ATOM 897 C LYS A 203 12.512 -3.301 4.208 1.00 0.00 C ATOM 898 O LYS A 203 13.495 -2.619 4.488 1.00 0.00 O ATOM 899 CB LYS A 203 11.086 -4.225 6.126 1.00 0.00 C ATOM 900 CG LYS A 203 10.521 -3.604 7.405 1.00 0.00 C ATOM 901 CD LYS A 203 10.261 -4.675 8.466 1.00 0.00 C ATOM 902 CE LYS A 203 11.509 -4.920 9.316 1.00 0.00 C ATOM 903 NZ LYS A 203 11.132 -5.235 10.712 1.00 0.00 N ATOM 0 H LYS A 203 9.490 -4.057 4.233 1.00 0.00 H new ATOM 0 HA LYS A 203 11.257 -2.212 5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.434 -5.031 5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 203 12.060 -4.669 6.332 1.00 0.00 H new ATOM 0 HG2 LYS A 203 11.220 -2.864 7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.593 -3.078 7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 203 9.436 -4.364 9.107 1.00 0.00 H new ATOM 0 HD3 LYS A 203 9.957 -5.604 7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 203 12.087 -5.742 8.895 1.00 0.00 H new ATOM 0 HE3 LYS A 203 12.149 -4.038 9.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 11.991 -5.398 11.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 10.600 -4.438 11.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 10.540 -6.090 10.727 1.00 0.00 H new ATOM 917 N ALA A 204 12.465 -4.179 3.216 1.00 0.00 N ATOM 918 CA ALA A 204 13.618 -4.404 2.360 1.00 0.00 C ATOM 919 C ALA A 204 13.754 -3.237 1.379 1.00 0.00 C ATOM 920 O ALA A 204 14.852 -2.940 0.912 1.00 0.00 O ATOM 921 CB ALA A 204 13.471 -5.749 1.649 1.00 0.00 C ATOM 0 H ALA A 204 11.647 -4.743 2.986 1.00 0.00 H new ATOM 0 HA ALA A 204 14.533 -4.447 2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.336 -5.918 1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.407 -6.547 2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.565 -5.743 1.043 1.00 0.00 H new ATOM 927 N LEU A 205 12.623 -2.609 1.097 1.00 0.00 N ATOM 928 CA LEU A 205 12.601 -1.483 0.179 1.00 0.00 C ATOM 929 C LEU A 205 13.403 -0.326 0.780 1.00 0.00 C ATOM 930 O LEU A 205 14.594 -0.182 0.503 1.00 0.00 O ATOM 931 CB LEU A 205 11.161 -1.110 -0.180 1.00 0.00 C ATOM 932 CG LEU A 205 10.760 -1.314 -1.641 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.279 -2.746 -1.883 1.00 0.00 C ATOM 934 CD2 LEU A 205 9.719 -0.279 -2.074 1.00 0.00 C ATOM 0 H LEU A 205 11.715 -2.858 1.488 1.00 0.00 H new ATOM 0 HA LEU A 205 13.080 -1.751 -0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.488 -1.696 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 205 11.003 -0.062 0.076 1.00 0.00 H new ATOM 0 HG LEU A 205 11.643 -1.162 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 205 10.000 -2.864 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 205 11.079 -3.445 -1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.414 -2.951 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 205 9.451 -0.447 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 205 8.830 -0.375 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.134 0.723 -1.962 1.00 0.00 H new ATOM 946 N GLY A 206 12.721 0.467 1.591 1.00 0.00 N ATOM 947 CA GLY A 206 13.356 1.606 2.233 1.00 0.00 C ATOM 948 C GLY A 206 12.360 2.364 3.114 1.00 0.00 C ATOM 949 O GLY A 206 11.163 2.385 2.829 1.00 0.00 O ATOM 0 H GLY A 206 11.734 0.344 1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 206 14.196 1.265 2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.760 2.277 1.475 1.00 0.00 H new ATOM 953 N PRO A 207 12.904 2.985 4.194 1.00 0.00 N ATOM 954 CA PRO A 207 12.078 3.743 5.119 1.00 0.00 C ATOM 955 C PRO A 207 11.666 5.085 4.511 1.00 0.00 C ATOM 956 O PRO A 207 11.946 6.139 5.079 1.00 0.00 O ATOM 957 CB PRO A 207 12.924 3.892 6.372 1.00 0.00 C ATOM 958 CG PRO A 207 14.356 3.621 5.942 1.00 0.00 C ATOM 959 CD PRO A 207 14.317 2.982 4.564 1.00 0.00 C ATOM 0 HA PRO A 207 11.137 3.244 5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 207 12.825 4.892 6.793 1.00 0.00 H new ATOM 0 HB3 PRO A 207 12.608 3.189 7.143 1.00 0.00 H new ATOM 0 HG2 PRO A 207 14.929 4.548 5.917 1.00 0.00 H new ATOM 0 HG3 PRO A 207 14.850 2.961 6.655 1.00 0.00 H new ATOM 0 HD2 PRO A 207 14.915 3.547 3.849 1.00 0.00 H new ATOM 0 HD3 PRO A 207 14.719 1.969 4.586 1.00 0.00 H new ATOM 967 N GLY A 208 11.007 5.003 3.365 1.00 0.00 N ATOM 968 CA GLY A 208 10.553 6.198 2.674 1.00 0.00 C ATOM 969 C GLY A 208 10.534 5.982 1.159 1.00 0.00 C ATOM 970 O GLY A 208 10.994 6.836 0.401 1.00 0.00 O ATOM 0 H GLY A 208 10.776 4.127 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 208 9.554 6.465 3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 208 11.208 7.034 2.917 1.00 0.00 H new ATOM 974 N ALA A 209 9.997 4.838 0.765 1.00 0.00 N ATOM 975 CA ALA A 209 9.911 4.499 -0.647 1.00 0.00 C ATOM 976 C ALA A 209 8.714 5.222 -1.268 1.00 0.00 C ATOM 977 O ALA A 209 7.818 5.674 -0.556 1.00 0.00 O ATOM 978 CB ALA A 209 9.821 2.980 -0.803 1.00 0.00 C ATOM 0 H ALA A 209 9.617 4.133 1.397 1.00 0.00 H new ATOM 0 HA ALA A 209 10.805 4.828 -1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 209 9.757 2.726 -1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 209 10.709 2.517 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 209 8.934 2.613 -0.287 1.00 0.00 H new ATOM 984 N THR A 210 8.737 5.308 -2.590 1.00 0.00 N ATOM 985 CA THR A 210 7.666 5.967 -3.315 1.00 0.00 C ATOM 986 C THR A 210 6.592 4.954 -3.719 1.00 0.00 C ATOM 987 O THR A 210 6.850 3.752 -3.752 1.00 0.00 O ATOM 988 CB THR A 210 8.283 6.704 -4.506 1.00 0.00 C ATOM 989 OG1 THR A 210 7.198 7.446 -5.056 1.00 0.00 O ATOM 990 CG2 THR A 210 8.696 5.756 -5.632 1.00 0.00 C ATOM 0 H THR A 210 9.481 4.932 -3.177 1.00 0.00 H new ATOM 0 HA THR A 210 7.158 6.700 -2.688 1.00 0.00 H new ATOM 0 HB THR A 210 9.153 7.269 -4.171 1.00 0.00 H new ATOM 0 HG1 THR A 210 7.510 7.955 -5.833 1.00 0.00 H new ATOM 0 HG21 THR A 210 9.128 6.331 -6.452 1.00 0.00 H new ATOM 0 HG22 THR A 210 9.434 5.047 -5.258 1.00 0.00 H new ATOM 0 HG23 THR A 210 7.821 5.214 -5.990 1.00 0.00 H new ATOM 998 N LEU A 211 5.411 5.478 -4.015 1.00 0.00 N ATOM 999 CA LEU A 211 4.298 4.634 -4.415 1.00 0.00 C ATOM 1000 C LEU A 211 4.771 3.643 -5.481 1.00 0.00 C ATOM 1001 O LEU A 211 4.381 2.476 -5.466 1.00 0.00 O ATOM 1002 CB LEU A 211 3.108 5.488 -4.856 1.00 0.00 C ATOM 1003 CG LEU A 211 2.038 4.773 -5.683 1.00 0.00 C ATOM 1004 CD1 LEU A 211 2.562 4.428 -7.078 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.509 3.540 -4.946 1.00 0.00 C ATOM 0 H LEU A 211 5.201 6.476 -3.986 1.00 0.00 H new ATOM 0 HA LEU A 211 3.943 4.047 -3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 211 2.634 5.902 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.486 6.329 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 211 1.197 5.454 -5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 211 1.781 3.920 -7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 211 2.849 5.343 -7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 211 3.429 3.774 -6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.750 3.050 -5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 211 2.329 2.847 -4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.071 3.844 -3.996 1.00 0.00 H new ATOM 1017 N GLU A 212 5.606 4.144 -6.380 1.00 0.00 N ATOM 1018 CA GLU A 212 6.136 3.318 -7.451 1.00 0.00 C ATOM 1019 C GLU A 212 6.977 2.176 -6.873 1.00 0.00 C ATOM 1020 O GLU A 212 6.951 1.060 -7.390 1.00 0.00 O ATOM 1021 CB GLU A 212 6.954 4.156 -8.437 1.00 0.00 C ATOM 1022 CG GLU A 212 6.750 3.666 -9.871 1.00 0.00 C ATOM 1023 CD GLU A 212 8.078 3.236 -10.498 1.00 0.00 C ATOM 1024 OE1 GLU A 212 9.075 3.967 -10.398 1.00 0.00 O ATOM 1025 OE2 GLU A 212 8.051 2.100 -11.106 1.00 0.00 O ATOM 0 H GLU A 212 5.928 5.112 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 212 5.299 2.886 -7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 212 6.661 5.203 -8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 212 8.011 4.102 -8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 212 6.053 2.828 -9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 212 6.301 4.459 -10.469 1.00 0.00 H new ATOM 1033 N GLU A 213 7.701 2.497 -5.812 1.00 0.00 N ATOM 1034 CA GLU A 213 8.548 1.512 -5.159 1.00 0.00 C ATOM 1035 C GLU A 213 7.691 0.446 -4.473 1.00 0.00 C ATOM 1036 O GLU A 213 7.949 -0.747 -4.611 1.00 0.00 O ATOM 1037 CB GLU A 213 9.496 2.179 -4.162 1.00 0.00 C ATOM 1038 CG GLU A 213 10.893 1.556 -4.231 1.00 0.00 C ATOM 1039 CD GLU A 213 11.920 2.567 -4.744 1.00 0.00 C ATOM 1040 OE1 GLU A 213 11.666 3.779 -4.710 1.00 0.00 O ATOM 1041 OE2 GLU A 213 13.017 2.051 -5.187 1.00 0.00 O ATOM 0 H GLU A 213 7.719 3.424 -5.388 1.00 0.00 H new ATOM 0 HA GLU A 213 9.158 1.025 -5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.559 3.246 -4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.098 2.077 -3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.187 1.204 -3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.875 0.686 -4.887 1.00 0.00 H new ATOM 1049 N MET A 214 6.687 0.918 -3.746 1.00 0.00 N ATOM 1050 CA MET A 214 5.790 0.021 -3.037 1.00 0.00 C ATOM 1051 C MET A 214 5.010 -0.858 -4.015 1.00 0.00 C ATOM 1052 O MET A 214 4.833 -2.052 -3.777 1.00 0.00 O ATOM 1053 CB MET A 214 4.812 0.840 -2.192 1.00 0.00 C ATOM 1054 CG MET A 214 5.558 1.701 -1.172 1.00 0.00 C ATOM 1055 SD MET A 214 4.447 2.902 -0.458 1.00 0.00 S ATOM 1056 CE MET A 214 5.218 3.129 1.136 1.00 0.00 C ATOM 0 H MET A 214 6.476 1.909 -3.633 1.00 0.00 H new ATOM 0 HA MET A 214 6.386 -0.626 -2.393 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.210 1.477 -2.840 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.124 0.171 -1.675 1.00 0.00 H new ATOM 0 HG2 MET A 214 5.977 1.070 -0.388 1.00 0.00 H new ATOM 0 HG3 MET A 214 6.394 2.208 -1.654 1.00 0.00 H new ATOM 0 HE1 MET A 214 4.470 3.452 1.859 1.00 0.00 H new ATOM 0 HE2 MET A 214 5.658 2.187 1.465 1.00 0.00 H new ATOM 0 HE3 MET A 214 5.998 3.886 1.058 1.00 0.00 H new ATOM 1066 N MET A 215 4.560 -0.234 -5.094 1.00 0.00 N ATOM 1067 CA MET A 215 3.802 -0.946 -6.110 1.00 0.00 C ATOM 1068 C MET A 215 4.682 -1.960 -6.843 1.00 0.00 C ATOM 1069 O MET A 215 4.217 -3.033 -7.223 1.00 0.00 O ATOM 1070 CB MET A 215 3.230 0.056 -7.115 1.00 0.00 C ATOM 1071 CG MET A 215 2.131 -0.586 -7.963 1.00 0.00 C ATOM 1072 SD MET A 215 2.827 -1.249 -9.466 1.00 0.00 S ATOM 1073 CE MET A 215 1.384 -1.219 -10.516 1.00 0.00 C ATOM 0 H MET A 215 4.706 0.757 -5.287 1.00 0.00 H new ATOM 0 HA MET A 215 2.992 -1.486 -5.620 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.828 0.919 -6.585 1.00 0.00 H new ATOM 0 HB3 MET A 215 4.027 0.422 -7.762 1.00 0.00 H new ATOM 0 HG2 MET A 215 1.642 -1.380 -7.398 1.00 0.00 H new ATOM 0 HG3 MET A 215 1.366 0.153 -8.202 1.00 0.00 H new ATOM 0 HE1 MET A 215 1.644 -1.604 -11.502 1.00 0.00 H new ATOM 0 HE2 MET A 215 0.603 -1.840 -10.078 1.00 0.00 H new ATOM 0 HE3 MET A 215 1.023 -0.195 -10.610 1.00 0.00 H new ATOM 1083 N THR A 216 5.941 -1.584 -7.018 1.00 0.00 N ATOM 1084 CA THR A 216 6.892 -2.447 -7.699 1.00 0.00 C ATOM 1085 C THR A 216 7.180 -3.691 -6.857 1.00 0.00 C ATOM 1086 O THR A 216 7.324 -4.790 -7.392 1.00 0.00 O ATOM 1087 CB THR A 216 8.141 -1.621 -8.012 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.982 -1.257 -9.380 1.00 0.00 O ATOM 1089 CG2 THR A 216 9.418 -2.463 -7.995 1.00 0.00 C ATOM 0 H THR A 216 6.324 -0.694 -6.700 1.00 0.00 H new ATOM 0 HA THR A 216 6.487 -2.817 -8.641 1.00 0.00 H new ATOM 0 HB THR A 216 8.232 -0.810 -7.289 1.00 0.00 H new ATOM 0 HG1 THR A 216 8.748 -0.717 -9.666 1.00 0.00 H new ATOM 0 HG21 THR A 216 10.275 -1.829 -8.223 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.548 -2.907 -7.008 1.00 0.00 H new ATOM 0 HG23 THR A 216 9.343 -3.254 -8.742 1.00 0.00 H new ATOM 1097 N ALA A 217 7.258 -3.477 -5.551 1.00 0.00 N ATOM 1098 CA ALA A 217 7.527 -4.567 -4.629 1.00 0.00 C ATOM 1099 C ALA A 217 6.296 -5.473 -4.542 1.00 0.00 C ATOM 1100 O ALA A 217 6.425 -6.692 -4.438 1.00 0.00 O ATOM 1101 CB ALA A 217 7.927 -3.998 -3.267 1.00 0.00 C ATOM 0 H ALA A 217 7.140 -2.565 -5.110 1.00 0.00 H new ATOM 0 HA ALA A 217 8.359 -5.174 -4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.129 -4.816 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.823 -3.387 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.115 -3.385 -2.876 1.00 0.00 H new ATOM 1107 N CYS A 218 5.133 -4.843 -4.591 1.00 0.00 N ATOM 1108 CA CYS A 218 3.881 -5.576 -4.520 1.00 0.00 C ATOM 1109 C CYS A 218 3.812 -6.526 -5.718 1.00 0.00 C ATOM 1110 O CYS A 218 3.471 -7.699 -5.565 1.00 0.00 O ATOM 1111 CB CYS A 218 2.675 -4.635 -4.470 1.00 0.00 C ATOM 1112 SG CYS A 218 1.156 -5.582 -4.097 1.00 0.00 S ATOM 0 H CYS A 218 5.031 -3.832 -4.679 1.00 0.00 H new ATOM 0 HA CYS A 218 3.848 -6.153 -3.596 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.832 -3.870 -3.710 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.566 -4.119 -5.424 1.00 0.00 H new ATOM 0 HG CYS A 218 0.365 -4.861 -3.359 1.00 0.00 H new ATOM 1118 N GLN A 219 4.140 -5.985 -6.881 1.00 0.00 N ATOM 1119 CA GLN A 219 4.120 -6.770 -8.104 1.00 0.00 C ATOM 1120 C GLN A 219 5.115 -7.929 -8.008 1.00 0.00 C ATOM 1121 O GLN A 219 4.917 -8.975 -8.624 1.00 0.00 O ATOM 1122 CB GLN A 219 4.415 -5.894 -9.323 1.00 0.00 C ATOM 1123 CG GLN A 219 3.304 -6.018 -10.368 1.00 0.00 C ATOM 1124 CD GLN A 219 3.797 -5.569 -11.747 1.00 0.00 C ATOM 1125 OE1 GLN A 219 4.364 -6.333 -12.510 1.00 0.00 O ATOM 1126 NE2 GLN A 219 3.546 -4.292 -12.021 1.00 0.00 N ATOM 0 H GLN A 219 4.421 -5.012 -7.003 1.00 0.00 H new ATOM 0 HA GLN A 219 3.120 -7.185 -8.229 1.00 0.00 H new ATOM 0 HB2 GLN A 219 4.513 -4.854 -9.013 1.00 0.00 H new ATOM 0 HB3 GLN A 219 5.368 -6.186 -9.764 1.00 0.00 H new ATOM 0 HG2 GLN A 219 2.961 -7.051 -10.419 1.00 0.00 H new ATOM 0 HG3 GLN A 219 2.449 -5.413 -10.068 1.00 0.00 H new ATOM 0 HE21 GLN A 219 3.067 -3.708 -11.336 1.00 0.00 H new ATOM 0 HE22 GLN A 219 3.833 -3.897 -12.916 1.00 0.00 H new ATOM 1135 N GLY A 220 6.164 -7.703 -7.229 1.00 0.00 N ATOM 1136 CA GLY A 220 7.190 -8.714 -7.045 1.00 0.00 C ATOM 1137 C GLY A 220 6.686 -9.850 -6.152 1.00 0.00 C ATOM 1138 O GLY A 220 7.146 -10.985 -6.266 1.00 0.00 O ATOM 0 H GLY A 220 6.324 -6.835 -6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 220 7.490 -9.114 -8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 220 8.076 -8.262 -6.599 1.00 0.00 H new ATOM 1142 N VAL A 221 5.746 -9.505 -5.283 1.00 0.00 N ATOM 1143 CA VAL A 221 5.174 -10.481 -4.371 1.00 0.00 C ATOM 1144 C VAL A 221 4.783 -11.736 -5.155 1.00 0.00 C ATOM 1145 O VAL A 221 4.227 -11.642 -6.248 1.00 0.00 O ATOM 1146 CB VAL A 221 4.001 -9.861 -3.611 1.00 0.00 C ATOM 1147 CG1 VAL A 221 2.692 -10.039 -4.384 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.889 -10.449 -2.203 1.00 0.00 C ATOM 0 H VAL A 221 5.366 -8.563 -5.192 1.00 0.00 H new ATOM 0 HA VAL A 221 5.907 -10.781 -3.622 1.00 0.00 H new ATOM 0 HB VAL A 221 4.191 -8.792 -3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.873 -9.589 -3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.775 -9.553 -5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 221 2.494 -11.102 -4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 221 3.047 -9.991 -1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 221 3.732 -11.526 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 221 4.808 -10.249 -1.651 1.00 0.00 H new