USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 498 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 114 THR OG1 : rot -74:sc= 1.04 USER MOD Set 1.2: A 126 GLN :FLIP amide:sc= -4.48! C(o=-5.9!,f=-3.4!) USER MOD Single : A 81 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-2!) USER MOD Single : A 85 SER OG : rot 84:sc= -0.428 USER MOD Single : A 87 MET CE :methyl -138:sc= 0 (180deg=-0.0447) USER MOD Single : A 90 THR OG1 : rot 180:sc=-0.00371 USER MOD Single : A 92 TYR OH : rot -169:sc= 0.401 USER MOD Single : A 94 THR OG1 : rot 115:sc= 0.786 USER MOD Single : A 96 SER OG : rot 180:sc= -0.961 USER MOD Single : A 100 LYS NZ :NH3+ -161:sc= -0.0114 (180deg=-0.126) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc=-0.000305 X(o=-0.00031,f=-0.011) USER MOD Single : A 116 CYS SG : rot 147:sc= -2.32! USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0628) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl -107:sc= -0.385 (180deg=-1.81!) USER MOD Single : A 125 ASN :FLIP amide:sc= -0.0358 F(o=-0.66,f=-0.036) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 164:sc= -0.846 (180deg=-1.88!) USER MOD Single : A 142 SER OG : rot 42:sc= 0.82 USER MOD Single : A 144 GLN : amide:sc= -0.019 K(o=-0.019,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 130 N HIS A 81 -5.778 7.681 2.870 1.00 1.00 N ATOM 131 CA HIS A 81 -5.859 6.300 3.316 1.00 1.00 C ATOM 132 C HIS A 81 -4.448 5.722 3.453 1.00 1.00 C ATOM 133 O HIS A 81 -3.808 5.396 2.456 1.00 1.00 O ATOM 134 CB HIS A 81 -6.748 5.478 2.381 1.00 1.00 C ATOM 135 CG HIS A 81 -6.328 4.034 2.246 1.00 1.00 C ATOM 136 ND1 HIS A 81 -5.955 3.258 3.328 1.00 1.00 N ATOM 137 CD2 HIS A 81 -6.227 3.235 1.146 1.00 1.00 C ATOM 138 CE1 HIS A 81 -5.644 2.047 2.888 1.00 1.00 C ATOM 139 NE2 HIS A 81 -5.813 2.035 1.535 1.00 1.00 N ATOM 0 HA HIS A 81 -6.329 6.258 4.299 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -7.774 5.514 2.747 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -6.745 5.940 1.394 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.447 3.529 0.130 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -5.315 1.216 3.494 1.00 1.00 H new ATOM 0 HE2 HIS A 81 -5.648 1.236 0.923 1.00 1.00 H new ATOM 146 N ILE A 82 -4.007 5.612 4.698 1.00 1.00 N ATOM 147 CA ILE A 82 -2.685 5.079 4.979 1.00 1.00 C ATOM 148 C ILE A 82 -2.795 3.580 5.267 1.00 1.00 C ATOM 149 O ILE A 82 -3.518 3.170 6.174 1.00 1.00 O ATOM 150 CB ILE A 82 -2.015 5.872 6.101 1.00 1.00 C ATOM 151 CG1 ILE A 82 -1.826 7.337 5.700 1.00 1.00 C ATOM 152 CG2 ILE A 82 -0.696 5.220 6.523 1.00 1.00 C ATOM 153 CD1 ILE A 82 -2.199 8.274 6.851 1.00 1.00 C ATOM 0 H ILE A 82 -4.542 5.883 5.523 1.00 1.00 H new ATOM 0 HA ILE A 82 -2.037 5.191 4.110 1.00 1.00 H new ATOM 0 HB ILE A 82 -2.674 5.857 6.969 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -0.789 7.507 5.409 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -2.442 7.562 4.829 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -0.241 5.805 7.322 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -0.888 4.207 6.878 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -0.019 5.183 5.670 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.055 9.309 6.539 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -3.243 8.119 7.123 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -1.565 8.063 7.712 1.00 1.00 H new ATOM 164 N VAL A 83 -2.067 2.804 4.478 1.00 1.00 N ATOM 165 CA VAL A 83 -2.074 1.360 4.636 1.00 1.00 C ATOM 166 C VAL A 83 -1.252 0.982 5.870 1.00 1.00 C ATOM 167 O VAL A 83 -0.049 1.234 5.920 1.00 1.00 O ATOM 168 CB VAL A 83 -1.572 0.689 3.355 1.00 1.00 C ATOM 169 CG1 VAL A 83 -1.351 -0.810 3.571 1.00 1.00 C ATOM 170 CG2 VAL A 83 -2.531 0.941 2.191 1.00 1.00 C ATOM 0 H VAL A 83 -1.468 3.148 3.727 1.00 1.00 H new ATOM 0 HA VAL A 83 -3.090 1.000 4.798 1.00 1.00 H new ATOM 0 HB VAL A 83 -0.611 1.135 3.098 1.00 1.00 H new ATOM 0 HG11 VAL A 83 -0.995 -1.262 2.646 1.00 1.00 H new ATOM 0 HG12 VAL A 83 -0.610 -0.959 4.357 1.00 1.00 H new ATOM 0 HG13 VAL A 83 -2.291 -1.278 3.865 1.00 1.00 H new ATOM 0 HG21 VAL A 83 -2.150 0.453 1.294 1.00 1.00 H new ATOM 0 HG22 VAL A 83 -3.513 0.536 2.435 1.00 1.00 H new ATOM 0 HG23 VAL A 83 -2.614 2.013 2.014 1.00 1.00 H new ATOM 180 N ARG A 84 -1.934 0.384 6.836 1.00 1.00 N ATOM 181 CA ARG A 84 -1.283 -0.030 8.067 1.00 1.00 C ATOM 182 C ARG A 84 -1.137 -1.552 8.104 1.00 1.00 C ATOM 183 O ARG A 84 -2.132 -2.273 8.170 1.00 1.00 O ATOM 184 CB ARG A 84 -2.075 0.430 9.292 1.00 1.00 C ATOM 185 CG ARG A 84 -2.060 1.956 9.413 1.00 1.00 C ATOM 186 CD ARG A 84 -3.140 2.439 10.383 1.00 1.00 C ATOM 187 NE ARG A 84 -4.117 3.291 9.669 1.00 1.00 N ATOM 188 CZ ARG A 84 -5.215 2.819 9.041 1.00 1.00 C ATOM 189 NH1 ARG A 84 -5.485 1.497 9.031 1.00 1.00 N ATOM 190 NH2 ARG A 84 -6.020 3.671 8.434 1.00 1.00 N ATOM 0 H ARG A 84 -2.932 0.176 6.791 1.00 1.00 H new ATOM 0 HA ARG A 84 -0.297 0.434 8.092 1.00 1.00 H new ATOM 0 HB2 ARG A 84 -3.104 0.078 9.218 1.00 1.00 H new ATOM 0 HB3 ARG A 84 -1.650 -0.014 10.192 1.00 1.00 H new ATOM 0 HG2 ARG A 84 -1.081 2.287 9.759 1.00 1.00 H new ATOM 0 HG3 ARG A 84 -2.220 2.404 8.432 1.00 1.00 H new ATOM 0 HD2 ARG A 84 -3.648 1.584 10.829 1.00 1.00 H new ATOM 0 HD3 ARG A 84 -2.684 3.000 11.199 1.00 1.00 H new ATOM 0 HE ARG A 84 -3.951 4.297 9.650 1.00 1.00 H new ATOM 0 HH11 ARG A 84 -4.857 0.845 9.501 1.00 1.00 H new ATOM 0 HH12 ARG A 84 -6.317 1.150 8.554 1.00 1.00 H new ATOM 0 HH21 ARG A 84 -5.808 4.669 8.444 1.00 1.00 H new ATOM 0 HH22 ARG A 84 -6.854 3.332 7.955 1.00 1.00 H new ATOM 199 N SER A 85 0.111 -1.998 8.061 1.00 1.00 N ATOM 200 CA SER A 85 0.398 -3.421 8.089 1.00 1.00 C ATOM 201 C SER A 85 -0.522 -4.122 9.092 1.00 1.00 C ATOM 202 O SER A 85 -0.286 -4.069 10.298 1.00 1.00 O ATOM 203 CB SER A 85 1.864 -3.679 8.444 1.00 1.00 C ATOM 204 OG SER A 85 2.418 -2.625 9.226 1.00 1.00 O ATOM 0 H SER A 85 0.934 -1.398 8.007 1.00 1.00 H new ATOM 0 HA SER A 85 0.215 -3.826 7.094 1.00 1.00 H new ATOM 0 HB2 SER A 85 1.944 -4.618 8.992 1.00 1.00 H new ATOM 0 HB3 SER A 85 2.444 -3.794 7.528 1.00 1.00 H new ATOM 0 HG SER A 85 2.199 -2.769 10.170 1.00 1.00 H new ATOM 209 N PRO A 86 -1.578 -4.778 8.540 1.00 1.00 N ATOM 210 CA PRO A 86 -2.534 -5.487 9.372 1.00 1.00 C ATOM 211 C PRO A 86 -1.943 -6.801 9.889 1.00 1.00 C ATOM 212 O PRO A 86 -2.609 -7.546 10.606 1.00 1.00 O ATOM 213 CB PRO A 86 -3.751 -5.693 8.485 1.00 1.00 C ATOM 214 CG PRO A 86 -3.263 -5.507 7.058 1.00 1.00 C ATOM 215 CD PRO A 86 -1.888 -4.862 7.116 1.00 1.00 C ATOM 0 HA PRO A 86 -2.802 -4.932 10.271 1.00 1.00 H new ATOM 0 HB2 PRO A 86 -4.174 -6.688 8.627 1.00 1.00 H new ATOM 0 HB3 PRO A 86 -4.536 -4.976 8.726 1.00 1.00 H new ATOM 0 HG2 PRO A 86 -3.213 -6.467 6.544 1.00 1.00 H new ATOM 0 HG3 PRO A 86 -3.955 -4.880 6.496 1.00 1.00 H new ATOM 0 HD2 PRO A 86 -1.148 -5.459 6.584 1.00 1.00 H new ATOM 0 HD3 PRO A 86 -1.894 -3.875 6.653 1.00 1.00 H new ATOM 220 N MET A 87 -0.699 -7.045 9.504 1.00 1.00 N ATOM 221 CA MET A 87 -0.010 -8.255 9.920 1.00 1.00 C ATOM 222 C MET A 87 1.506 -8.054 9.912 1.00 1.00 C ATOM 223 O MET A 87 2.059 -7.510 8.956 1.00 1.00 O ATOM 224 CB MET A 87 -0.378 -9.402 8.974 1.00 1.00 C ATOM 225 CG MET A 87 -0.774 -10.653 9.760 1.00 1.00 C ATOM 226 SD MET A 87 -2.552 -10.758 9.884 1.00 1.00 S ATOM 227 CE MET A 87 -2.938 -11.396 8.262 1.00 1.00 C ATOM 0 H MET A 87 -0.150 -6.425 8.908 1.00 1.00 H new ATOM 0 HA MET A 87 -0.320 -8.496 10.937 1.00 1.00 H new ATOM 0 HB2 MET A 87 -1.202 -9.097 8.329 1.00 1.00 H new ATOM 0 HB3 MET A 87 0.468 -9.628 8.324 1.00 1.00 H new ATOM 0 HG2 MET A 87 -0.382 -11.542 9.266 1.00 1.00 H new ATOM 0 HG3 MET A 87 -0.333 -10.622 10.756 1.00 1.00 H new ATOM 0 HE1 MET A 87 -3.814 -10.881 7.868 1.00 1.00 H new ATOM 0 HE2 MET A 87 -2.091 -11.233 7.596 1.00 1.00 H new ATOM 0 HE3 MET A 87 -3.145 -12.464 8.331 1.00 1.00 H new ATOM 235 N VAL A 88 2.136 -8.501 10.988 1.00 1.00 N ATOM 236 CA VAL A 88 3.578 -8.377 11.117 1.00 1.00 C ATOM 237 C VAL A 88 4.259 -9.322 10.124 1.00 1.00 C ATOM 238 O VAL A 88 3.803 -10.446 9.920 1.00 1.00 O ATOM 239 CB VAL A 88 3.997 -8.629 12.567 1.00 1.00 C ATOM 240 CG1 VAL A 88 5.391 -8.061 12.841 1.00 1.00 C ATOM 241 CG2 VAL A 88 2.969 -8.055 13.543 1.00 1.00 C ATOM 0 H VAL A 88 1.674 -8.950 11.779 1.00 1.00 H new ATOM 0 HA VAL A 88 3.898 -7.364 10.872 1.00 1.00 H new ATOM 0 HB VAL A 88 4.038 -9.707 12.721 1.00 1.00 H new ATOM 0 HG11 VAL A 88 5.665 -8.253 13.878 1.00 1.00 H new ATOM 0 HG12 VAL A 88 6.115 -8.538 12.180 1.00 1.00 H new ATOM 0 HG13 VAL A 88 5.388 -6.986 12.660 1.00 1.00 H new ATOM 0 HG21 VAL A 88 3.291 -8.248 14.566 1.00 1.00 H new ATOM 0 HG22 VAL A 88 2.880 -6.980 13.387 1.00 1.00 H new ATOM 0 HG23 VAL A 88 2.002 -8.527 13.372 1.00 1.00 H new ATOM 251 N GLY A 89 5.338 -8.831 9.534 1.00 1.00 N ATOM 252 CA GLY A 89 6.085 -9.617 8.568 1.00 1.00 C ATOM 253 C GLY A 89 6.969 -8.722 7.697 1.00 1.00 C ATOM 254 O GLY A 89 7.827 -8.005 8.209 1.00 1.00 O ATOM 0 H GLY A 89 5.713 -7.898 9.706 1.00 1.00 H new ATOM 0 HA2 GLY A 89 6.703 -10.348 9.089 1.00 1.00 H new ATOM 0 HA3 GLY A 89 5.394 -10.176 7.937 1.00 1.00 H new ATOM 258 N THR A 90 6.728 -8.793 6.396 1.00 1.00 N ATOM 259 CA THR A 90 7.491 -7.997 5.450 1.00 1.00 C ATOM 260 C THR A 90 6.553 -7.291 4.469 1.00 1.00 C ATOM 261 O THR A 90 5.377 -7.637 4.370 1.00 1.00 O ATOM 262 CB THR A 90 8.504 -8.919 4.765 1.00 1.00 C ATOM 263 OG1 THR A 90 9.339 -9.367 5.829 1.00 1.00 O ATOM 264 CG2 THR A 90 9.455 -8.158 3.838 1.00 1.00 C ATOM 0 H THR A 90 6.015 -9.389 5.975 1.00 1.00 H new ATOM 0 HA THR A 90 8.041 -7.203 5.955 1.00 1.00 H new ATOM 0 HB THR A 90 7.974 -9.681 4.194 1.00 1.00 H new ATOM 0 HG1 THR A 90 10.024 -9.972 5.475 1.00 1.00 H new ATOM 0 HG21 THR A 90 10.152 -8.858 3.378 1.00 1.00 H new ATOM 0 HG22 THR A 90 8.880 -7.655 3.061 1.00 1.00 H new ATOM 0 HG23 THR A 90 10.011 -7.418 4.414 1.00 1.00 H new ATOM 272 N PHE A 91 7.108 -6.312 3.770 1.00 1.00 N ATOM 273 CA PHE A 91 6.337 -5.553 2.800 1.00 1.00 C ATOM 274 C PHE A 91 7.120 -5.367 1.499 1.00 1.00 C ATOM 275 O PHE A 91 8.284 -4.971 1.522 1.00 1.00 O ATOM 276 CB PHE A 91 6.066 -4.180 3.419 1.00 1.00 C ATOM 277 CG PHE A 91 5.387 -3.192 2.469 1.00 1.00 C ATOM 278 CD1 PHE A 91 6.073 -2.687 1.409 1.00 1.00 C ATOM 279 CD2 PHE A 91 4.098 -2.819 2.686 1.00 1.00 C ATOM 280 CE1 PHE A 91 5.442 -1.770 0.527 1.00 1.00 C ATOM 281 CE2 PHE A 91 3.467 -1.901 1.804 1.00 1.00 C ATOM 282 CZ PHE A 91 4.153 -1.396 0.743 1.00 1.00 C ATOM 0 H PHE A 91 8.083 -6.027 3.856 1.00 1.00 H new ATOM 0 HA PHE A 91 5.414 -6.083 2.564 1.00 1.00 H new ATOM 0 HB2 PHE A 91 5.440 -4.308 4.302 1.00 1.00 H new ATOM 0 HB3 PHE A 91 7.010 -3.753 3.757 1.00 1.00 H new ATOM 0 HD1 PHE A 91 7.097 -2.983 1.238 1.00 1.00 H new ATOM 0 HD2 PHE A 91 3.554 -3.220 3.528 1.00 1.00 H new ATOM 0 HE1 PHE A 91 5.986 -1.370 -0.316 1.00 1.00 H new ATOM 0 HE2 PHE A 91 2.443 -1.604 1.976 1.00 1.00 H new ATOM 0 HZ PHE A 91 3.674 -0.698 0.073 1.00 1.00 H new ATOM 291 N TYR A 92 6.450 -5.664 0.395 1.00 1.00 N ATOM 292 CA TYR A 92 7.069 -5.534 -0.913 1.00 1.00 C ATOM 293 C TYR A 92 6.242 -4.625 -1.824 1.00 1.00 C ATOM 294 O TYR A 92 5.019 -4.568 -1.704 1.00 1.00 O ATOM 295 CB TYR A 92 7.096 -6.944 -1.508 1.00 1.00 C ATOM 296 CG TYR A 92 8.136 -7.868 -0.871 1.00 1.00 C ATOM 297 CD1 TYR A 92 9.480 -7.662 -1.109 1.00 1.00 C ATOM 298 CD2 TYR A 92 7.730 -8.908 -0.060 1.00 1.00 C ATOM 299 CE1 TYR A 92 10.458 -8.532 -0.509 1.00 1.00 C ATOM 300 CE2 TYR A 92 8.709 -9.777 0.540 1.00 1.00 C ATOM 301 CZ TYR A 92 10.025 -9.546 0.286 1.00 1.00 C ATOM 302 OH TYR A 92 10.949 -10.368 0.852 1.00 1.00 O ATOM 0 H TYR A 92 5.485 -5.994 0.380 1.00 1.00 H new ATOM 0 HA TYR A 92 8.064 -5.097 -0.825 1.00 1.00 H new ATOM 0 HB2 TYR A 92 6.109 -7.393 -1.397 1.00 1.00 H new ATOM 0 HB3 TYR A 92 7.295 -6.872 -2.577 1.00 1.00 H new ATOM 0 HD1 TYR A 92 9.798 -6.849 -1.745 1.00 1.00 H new ATOM 0 HD2 TYR A 92 6.678 -9.070 0.125 1.00 1.00 H new ATOM 0 HE1 TYR A 92 11.513 -8.382 -0.687 1.00 1.00 H new ATOM 0 HE2 TYR A 92 8.405 -10.594 1.178 1.00 1.00 H new ATOM 0 HH TYR A 92 10.498 -11.141 1.252 1.00 1.00 H new ATOM 311 N ARG A 93 6.942 -3.938 -2.714 1.00 1.00 N ATOM 312 CA ARG A 93 6.287 -3.035 -3.645 1.00 1.00 C ATOM 313 C ARG A 93 6.074 -3.725 -4.994 1.00 1.00 C ATOM 314 O ARG A 93 5.320 -3.235 -5.834 1.00 1.00 O ATOM 315 CB ARG A 93 7.114 -1.765 -3.854 1.00 1.00 C ATOM 316 CG ARG A 93 7.332 -1.028 -2.532 1.00 1.00 C ATOM 317 CD ARG A 93 6.221 -0.007 -2.283 1.00 1.00 C ATOM 318 NE ARG A 93 6.033 0.840 -3.483 1.00 1.00 N ATOM 319 CZ ARG A 93 6.926 1.757 -3.909 1.00 1.00 C ATOM 320 NH1 ARG A 93 8.079 1.956 -3.236 1.00 1.00 N ATOM 321 NH2 ARG A 93 6.655 2.457 -4.995 1.00 1.00 N ATOM 0 H ARG A 93 7.956 -3.988 -2.810 1.00 1.00 H new ATOM 0 HA ARG A 93 5.322 -2.761 -3.218 1.00 1.00 H new ATOM 0 HB2 ARG A 93 8.077 -2.023 -4.294 1.00 1.00 H new ATOM 0 HB3 ARG A 93 6.606 -1.109 -4.561 1.00 1.00 H new ATOM 0 HG2 ARG A 93 7.361 -1.746 -1.712 1.00 1.00 H new ATOM 0 HG3 ARG A 93 8.298 -0.523 -2.548 1.00 1.00 H new ATOM 0 HD2 ARG A 93 5.291 -0.521 -2.041 1.00 1.00 H new ATOM 0 HD3 ARG A 93 6.473 0.615 -1.424 1.00 1.00 H new ATOM 0 HE ARG A 93 5.175 0.723 -4.021 1.00 1.00 H new ATOM 0 HH11 ARG A 93 8.281 1.411 -2.398 1.00 1.00 H new ATOM 0 HH12 ARG A 93 8.748 2.652 -3.566 1.00 1.00 H new ATOM 0 HH21 ARG A 93 5.782 2.300 -5.498 1.00 1.00 H new ATOM 0 HH22 ARG A 93 7.319 3.154 -5.331 1.00 1.00 H new ATOM 330 N THR A 94 6.751 -4.851 -5.160 1.00 1.00 N ATOM 331 CA THR A 94 6.646 -5.614 -6.392 1.00 1.00 C ATOM 332 C THR A 94 6.529 -7.108 -6.086 1.00 1.00 C ATOM 333 O THR A 94 6.965 -7.565 -5.031 1.00 1.00 O ATOM 334 CB THR A 94 7.851 -5.265 -7.268 1.00 1.00 C ATOM 335 OG1 THR A 94 8.966 -5.392 -6.391 1.00 1.00 O ATOM 336 CG2 THR A 94 7.867 -3.791 -7.681 1.00 1.00 C ATOM 0 H THR A 94 7.375 -5.254 -4.461 1.00 1.00 H new ATOM 0 HA THR A 94 5.741 -5.356 -6.941 1.00 1.00 H new ATOM 0 HB THR A 94 7.845 -5.892 -8.160 1.00 1.00 H new ATOM 0 HG1 THR A 94 9.538 -6.128 -6.694 1.00 1.00 H new ATOM 0 HG21 THR A 94 8.742 -3.596 -8.301 1.00 1.00 H new ATOM 0 HG22 THR A 94 6.964 -3.562 -8.246 1.00 1.00 H new ATOM 0 HG23 THR A 94 7.907 -3.164 -6.790 1.00 1.00 H new ATOM 344 N PRO A 95 5.923 -7.847 -7.054 1.00 1.00 N ATOM 345 CA PRO A 95 5.743 -9.281 -6.899 1.00 1.00 C ATOM 346 C PRO A 95 7.064 -10.024 -7.109 1.00 1.00 C ATOM 347 O PRO A 95 7.156 -11.221 -6.840 1.00 1.00 O ATOM 348 CB PRO A 95 4.681 -9.656 -7.918 1.00 1.00 C ATOM 349 CG PRO A 95 4.640 -8.513 -8.919 1.00 1.00 C ATOM 350 CD PRO A 95 5.395 -7.339 -8.316 1.00 1.00 C ATOM 0 HA PRO A 95 5.427 -9.560 -5.894 1.00 1.00 H new ATOM 0 HB2 PRO A 95 4.927 -10.597 -8.410 1.00 1.00 H new ATOM 0 HB3 PRO A 95 3.711 -9.791 -7.439 1.00 1.00 H new ATOM 0 HG2 PRO A 95 5.094 -8.815 -9.863 1.00 1.00 H new ATOM 0 HG3 PRO A 95 3.609 -8.233 -9.137 1.00 1.00 H new ATOM 0 HD2 PRO A 95 6.196 -7.004 -8.974 1.00 1.00 H new ATOM 0 HD3 PRO A 95 4.737 -6.485 -8.155 1.00 1.00 H new ATOM 355 N SER A 96 8.053 -9.284 -7.589 1.00 1.00 N ATOM 356 CA SER A 96 9.364 -9.859 -7.838 1.00 1.00 C ATOM 357 C SER A 96 10.418 -8.752 -7.893 1.00 1.00 C ATOM 358 O SER A 96 10.087 -7.570 -7.820 1.00 1.00 O ATOM 359 CB SER A 96 9.374 -10.665 -9.138 1.00 1.00 C ATOM 360 OG SER A 96 9.794 -12.010 -8.929 1.00 1.00 O ATOM 0 H SER A 96 7.973 -8.292 -7.812 1.00 1.00 H new ATOM 0 HA SER A 96 9.601 -10.538 -7.019 1.00 1.00 H new ATOM 0 HB2 SER A 96 8.375 -10.661 -9.575 1.00 1.00 H new ATOM 0 HB3 SER A 96 10.038 -10.185 -9.857 1.00 1.00 H new ATOM 0 HG SER A 96 9.785 -12.492 -9.782 1.00 1.00 H new ATOM 365 N PRO A 97 11.701 -9.185 -8.026 1.00 1.00 N ATOM 366 CA PRO A 97 12.806 -8.244 -8.091 1.00 1.00 C ATOM 367 C PRO A 97 12.861 -7.558 -9.457 1.00 1.00 C ATOM 368 O PRO A 97 13.259 -6.398 -9.557 1.00 1.00 O ATOM 369 CB PRO A 97 14.046 -9.072 -7.792 1.00 1.00 C ATOM 370 CG PRO A 97 13.647 -10.520 -8.029 1.00 1.00 C ATOM 371 CD PRO A 97 12.131 -10.578 -8.116 1.00 1.00 C ATOM 0 HA PRO A 97 12.706 -7.428 -7.376 1.00 1.00 H new ATOM 0 HB2 PRO A 97 14.874 -8.784 -8.440 1.00 1.00 H new ATOM 0 HB3 PRO A 97 14.378 -8.921 -6.765 1.00 1.00 H new ATOM 0 HG2 PRO A 97 14.097 -10.894 -8.949 1.00 1.00 H new ATOM 0 HG3 PRO A 97 14.007 -11.153 -7.218 1.00 1.00 H new ATOM 0 HD2 PRO A 97 11.805 -11.033 -9.051 1.00 1.00 H new ATOM 0 HD3 PRO A 97 11.710 -11.175 -7.307 1.00 1.00 H new ATOM 376 N ASP A 98 12.455 -8.302 -10.475 1.00 1.00 N ATOM 377 CA ASP A 98 12.453 -7.779 -11.831 1.00 1.00 C ATOM 378 C ASP A 98 11.021 -7.777 -12.369 1.00 1.00 C ATOM 379 O ASP A 98 10.799 -8.013 -13.556 1.00 1.00 O ATOM 380 CB ASP A 98 13.305 -8.649 -12.758 1.00 1.00 C ATOM 381 CG ASP A 98 12.745 -10.047 -13.027 1.00 1.00 C ATOM 382 OD1 ASP A 98 11.653 -10.399 -12.560 1.00 1.00 O ATOM 383 OD2 ASP A 98 13.492 -10.800 -13.762 1.00 1.00 O ATOM 0 H ASP A 98 12.125 -9.263 -10.388 1.00 1.00 H new ATOM 0 HA ASP A 98 12.864 -6.770 -11.804 1.00 1.00 H new ATOM 0 HB2 ASP A 98 13.423 -8.132 -13.710 1.00 1.00 H new ATOM 0 HB3 ASP A 98 14.300 -8.750 -12.324 1.00 1.00 H new ATOM 388 N ALA A 99 10.085 -7.506 -11.471 1.00 1.00 N ATOM 389 CA ALA A 99 8.680 -7.469 -11.841 1.00 1.00 C ATOM 390 C ALA A 99 8.165 -6.033 -11.727 1.00 1.00 C ATOM 391 O ALA A 99 8.767 -5.206 -11.044 1.00 1.00 O ATOM 392 CB ALA A 99 7.894 -8.443 -10.961 1.00 1.00 C ATOM 0 H ALA A 99 10.272 -7.310 -10.488 1.00 1.00 H new ATOM 0 HA ALA A 99 8.547 -7.785 -12.876 1.00 1.00 H new ATOM 0 HB1 ALA A 99 6.840 -8.415 -11.239 1.00 1.00 H new ATOM 0 HB2 ALA A 99 8.280 -9.453 -11.102 1.00 1.00 H new ATOM 0 HB3 ALA A 99 8.001 -8.156 -9.915 1.00 1.00 H new ATOM 398 N LYS A 100 7.056 -5.781 -12.407 1.00 1.00 N ATOM 399 CA LYS A 100 6.452 -4.459 -12.389 1.00 1.00 C ATOM 400 C LYS A 100 6.159 -4.055 -10.943 1.00 1.00 C ATOM 401 O LYS A 100 6.320 -4.859 -10.026 1.00 1.00 O ATOM 402 CB LYS A 100 5.223 -4.419 -13.300 1.00 1.00 C ATOM 403 CG LYS A 100 5.529 -5.049 -14.661 1.00 1.00 C ATOM 404 CD LYS A 100 5.020 -6.491 -14.725 1.00 1.00 C ATOM 405 CE LYS A 100 4.276 -6.752 -16.035 1.00 1.00 C ATOM 406 NZ LYS A 100 2.983 -6.031 -16.050 1.00 1.00 N ATOM 0 H LYS A 100 6.560 -6.469 -12.974 1.00 1.00 H new ATOM 0 HA LYS A 100 7.144 -3.719 -12.792 1.00 1.00 H new ATOM 0 HB2 LYS A 100 4.397 -4.950 -12.827 1.00 1.00 H new ATOM 0 HB3 LYS A 100 4.901 -3.387 -13.437 1.00 1.00 H new ATOM 0 HG2 LYS A 100 5.064 -4.460 -15.451 1.00 1.00 H new ATOM 0 HG3 LYS A 100 6.604 -5.031 -14.841 1.00 1.00 H new ATOM 0 HD2 LYS A 100 5.859 -7.181 -14.636 1.00 1.00 H new ATOM 0 HD3 LYS A 100 4.357 -6.684 -13.882 1.00 1.00 H new ATOM 0 HE2 LYS A 100 4.888 -6.431 -16.878 1.00 1.00 H new ATOM 0 HE3 LYS A 100 4.104 -7.822 -16.155 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 2.358 -6.453 -16.766 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 2.535 -6.103 -15.114 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 3.146 -5.030 -16.280 1.00 1.00 H new ATOM 415 N ALA A 101 5.733 -2.811 -10.784 1.00 1.00 N ATOM 416 CA ALA A 101 5.416 -2.291 -9.465 1.00 1.00 C ATOM 417 C ALA A 101 3.899 -2.294 -9.272 1.00 1.00 C ATOM 418 O ALA A 101 3.156 -1.853 -10.149 1.00 1.00 O ATOM 419 CB ALA A 101 6.020 -0.894 -9.308 1.00 1.00 C ATOM 0 H ALA A 101 5.600 -2.148 -11.547 1.00 1.00 H new ATOM 0 HA ALA A 101 5.849 -2.923 -8.689 1.00 1.00 H new ATOM 0 HB1 ALA A 101 5.782 -0.504 -8.318 1.00 1.00 H new ATOM 0 HB2 ALA A 101 7.102 -0.950 -9.425 1.00 1.00 H new ATOM 0 HB3 ALA A 101 5.607 -0.231 -10.068 1.00 1.00 H new ATOM 425 N PHE A 102 3.482 -2.796 -8.119 1.00 1.00 N ATOM 426 CA PHE A 102 2.066 -2.863 -7.799 1.00 1.00 C ATOM 427 C PHE A 102 1.439 -1.467 -7.793 1.00 1.00 C ATOM 428 O PHE A 102 0.298 -1.293 -8.217 1.00 1.00 O ATOM 429 CB PHE A 102 1.951 -3.467 -6.398 1.00 1.00 C ATOM 430 CG PHE A 102 2.039 -4.994 -6.371 1.00 1.00 C ATOM 431 CD1 PHE A 102 0.974 -5.744 -6.763 1.00 1.00 C ATOM 432 CD2 PHE A 102 3.181 -5.602 -5.953 1.00 1.00 C ATOM 433 CE1 PHE A 102 1.056 -7.162 -6.737 1.00 1.00 C ATOM 434 CE2 PHE A 102 3.263 -7.020 -5.927 1.00 1.00 C ATOM 435 CZ PHE A 102 2.199 -7.769 -6.320 1.00 1.00 C ATOM 0 H PHE A 102 4.100 -3.160 -7.394 1.00 1.00 H new ATOM 0 HA PHE A 102 1.544 -3.463 -8.544 1.00 1.00 H new ATOM 0 HB2 PHE A 102 2.742 -3.056 -5.770 1.00 1.00 H new ATOM 0 HB3 PHE A 102 1.002 -3.160 -5.958 1.00 1.00 H new ATOM 0 HD1 PHE A 102 0.066 -5.262 -7.094 1.00 1.00 H new ATOM 0 HD2 PHE A 102 4.026 -5.007 -5.641 1.00 1.00 H new ATOM 0 HE1 PHE A 102 0.211 -7.758 -7.048 1.00 1.00 H new ATOM 0 HE2 PHE A 102 4.170 -7.503 -5.595 1.00 1.00 H new ATOM 0 HZ PHE A 102 2.262 -8.847 -6.301 1.00 1.00 H new ATOM 444 N ILE A 103 2.213 -0.507 -7.306 1.00 1.00 N ATOM 445 CA ILE A 103 1.749 0.867 -7.238 1.00 1.00 C ATOM 446 C ILE A 103 2.909 1.810 -7.563 1.00 1.00 C ATOM 447 O ILE A 103 3.737 2.100 -6.702 1.00 1.00 O ATOM 448 CB ILE A 103 1.091 1.145 -5.886 1.00 1.00 C ATOM 449 CG1 ILE A 103 2.121 1.094 -4.755 1.00 1.00 C ATOM 450 CG2 ILE A 103 -0.078 0.190 -5.638 1.00 1.00 C ATOM 451 CD1 ILE A 103 2.371 2.489 -4.178 1.00 1.00 C ATOM 0 H ILE A 103 3.159 -0.655 -6.955 1.00 1.00 H new ATOM 0 HA ILE A 103 0.975 1.044 -7.985 1.00 1.00 H new ATOM 0 HB ILE A 103 0.683 2.155 -5.906 1.00 1.00 H new ATOM 0 HG12 ILE A 103 1.769 0.428 -3.967 1.00 1.00 H new ATOM 0 HG13 ILE A 103 3.057 0.678 -5.129 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -0.528 0.409 -4.670 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -0.824 0.317 -6.422 1.00 1.00 H new ATOM 0 HG23 ILE A 103 0.284 -0.838 -5.645 1.00 1.00 H new ATOM 0 HD11 ILE A 103 3.107 2.425 -3.376 1.00 1.00 H new ATOM 0 HD12 ILE A 103 2.746 3.146 -4.963 1.00 1.00 H new ATOM 0 HD13 ILE A 103 1.438 2.892 -3.783 1.00 1.00 H new ATOM 462 N GLU A 104 2.932 2.261 -8.809 1.00 1.00 N ATOM 463 CA GLU A 104 3.977 3.165 -9.258 1.00 1.00 C ATOM 464 C GLU A 104 3.647 4.602 -8.850 1.00 1.00 C ATOM 465 O GLU A 104 2.668 5.177 -9.323 1.00 1.00 O ATOM 466 CB GLU A 104 4.182 3.058 -10.770 1.00 1.00 C ATOM 467 CG GLU A 104 5.636 2.715 -11.104 1.00 1.00 C ATOM 468 CD GLU A 104 6.498 3.978 -11.158 1.00 1.00 C ATOM 469 OE1 GLU A 104 7.167 4.315 -10.169 1.00 1.00 O ATOM 470 OE2 GLU A 104 6.459 4.618 -12.277 1.00 1.00 O ATOM 0 H GLU A 104 2.244 2.017 -9.521 1.00 1.00 H new ATOM 0 HA GLU A 104 4.911 2.877 -8.776 1.00 1.00 H new ATOM 0 HB2 GLU A 104 3.521 2.292 -11.177 1.00 1.00 H new ATOM 0 HB3 GLU A 104 3.909 4.000 -11.245 1.00 1.00 H new ATOM 0 HG2 GLU A 104 6.034 2.031 -10.354 1.00 1.00 H new ATOM 0 HG3 GLU A 104 5.681 2.198 -12.063 1.00 1.00 H new ATOM 476 N VAL A 105 4.485 5.142 -7.976 1.00 1.00 N ATOM 477 CA VAL A 105 4.294 6.501 -7.500 1.00 1.00 C ATOM 478 C VAL A 105 3.897 7.399 -8.674 1.00 1.00 C ATOM 479 O VAL A 105 4.672 7.580 -9.612 1.00 1.00 O ATOM 480 CB VAL A 105 5.554 6.985 -6.779 1.00 1.00 C ATOM 481 CG1 VAL A 105 5.354 8.389 -6.206 1.00 1.00 C ATOM 482 CG2 VAL A 105 5.971 6.000 -5.685 1.00 1.00 C ATOM 0 H VAL A 105 5.297 4.663 -7.586 1.00 1.00 H new ATOM 0 HA VAL A 105 3.483 6.539 -6.773 1.00 1.00 H new ATOM 0 HB VAL A 105 6.360 7.035 -7.511 1.00 1.00 H new ATOM 0 HG11 VAL A 105 6.265 8.708 -5.699 1.00 1.00 H new ATOM 0 HG12 VAL A 105 5.127 9.083 -7.015 1.00 1.00 H new ATOM 0 HG13 VAL A 105 4.528 8.378 -5.495 1.00 1.00 H new ATOM 0 HG21 VAL A 105 6.869 6.367 -5.188 1.00 1.00 H new ATOM 0 HG22 VAL A 105 5.166 5.904 -4.956 1.00 1.00 H new ATOM 0 HG23 VAL A 105 6.175 5.026 -6.131 1.00 1.00 H new ATOM 492 N GLY A 106 2.689 7.935 -8.584 1.00 1.00 N ATOM 493 CA GLY A 106 2.179 8.809 -9.628 1.00 1.00 C ATOM 494 C GLY A 106 1.019 8.149 -10.377 1.00 1.00 C ATOM 495 O GLY A 106 0.596 8.635 -11.425 1.00 1.00 O ATOM 0 H GLY A 106 2.049 7.782 -7.805 1.00 1.00 H new ATOM 0 HA2 GLY A 106 1.845 9.749 -9.189 1.00 1.00 H new ATOM 0 HA3 GLY A 106 2.979 9.050 -10.328 1.00 1.00 H new ATOM 499 N GLN A 107 0.540 7.051 -9.812 1.00 1.00 N ATOM 500 CA GLN A 107 -0.562 6.319 -10.414 1.00 1.00 C ATOM 501 C GLN A 107 -1.786 6.353 -9.497 1.00 1.00 C ATOM 502 O GLN A 107 -1.698 6.801 -8.355 1.00 1.00 O ATOM 503 CB GLN A 107 -0.154 4.879 -10.732 1.00 1.00 C ATOM 504 CG GLN A 107 -1.138 4.234 -11.710 1.00 1.00 C ATOM 505 CD GLN A 107 -0.444 3.172 -12.566 1.00 1.00 C ATOM 506 OE1 GLN A 107 -0.297 3.306 -13.769 1.00 1.00 O ATOM 507 NE2 GLN A 107 -0.027 2.112 -11.879 1.00 1.00 N ATOM 0 H GLN A 107 0.895 6.650 -8.944 1.00 1.00 H new ATOM 0 HA GLN A 107 -0.824 6.804 -11.354 1.00 1.00 H new ATOM 0 HB2 GLN A 107 0.849 4.867 -11.159 1.00 1.00 H new ATOM 0 HB3 GLN A 107 -0.116 4.296 -9.812 1.00 1.00 H new ATOM 0 HG2 GLN A 107 -1.961 3.780 -11.157 1.00 1.00 H new ATOM 0 HG3 GLN A 107 -1.571 5.000 -12.354 1.00 1.00 H new ATOM 0 HE21 GLN A 107 -0.182 2.063 -10.872 1.00 1.00 H new ATOM 0 HE22 GLN A 107 0.448 1.348 -12.359 1.00 1.00 H new ATOM 514 N LYS A 108 -2.899 5.873 -10.031 1.00 1.00 N ATOM 515 CA LYS A 108 -4.140 5.844 -9.274 1.00 1.00 C ATOM 516 C LYS A 108 -4.510 4.391 -8.969 1.00 1.00 C ATOM 517 O LYS A 108 -4.047 3.473 -9.643 1.00 1.00 O ATOM 518 CB LYS A 108 -5.235 6.616 -10.011 1.00 1.00 C ATOM 519 CG LYS A 108 -5.614 5.918 -11.319 1.00 1.00 C ATOM 520 CD LYS A 108 -5.306 6.808 -12.525 1.00 1.00 C ATOM 521 CE LYS A 108 -5.441 6.027 -13.833 1.00 1.00 C ATOM 522 NZ LYS A 108 -6.252 6.786 -14.811 1.00 1.00 N ATOM 0 H LYS A 108 -2.968 5.501 -10.978 1.00 1.00 H new ATOM 0 HA LYS A 108 -4.016 6.350 -8.317 1.00 1.00 H new ATOM 0 HB2 LYS A 108 -6.115 6.704 -9.373 1.00 1.00 H new ATOM 0 HB3 LYS A 108 -4.892 7.629 -10.222 1.00 1.00 H new ATOM 0 HG2 LYS A 108 -5.067 4.979 -11.406 1.00 1.00 H new ATOM 0 HG3 LYS A 108 -6.675 5.669 -11.308 1.00 1.00 H new ATOM 0 HD2 LYS A 108 -5.985 7.661 -12.535 1.00 1.00 H new ATOM 0 HD3 LYS A 108 -4.295 7.207 -12.438 1.00 1.00 H new ATOM 0 HE2 LYS A 108 -4.453 5.828 -14.248 1.00 1.00 H new ATOM 0 HE3 LYS A 108 -5.906 5.060 -13.639 1.00 1.00 H new ATOM 0 HZ1 LYS A 108 -6.333 6.240 -15.693 1.00 1.00 H new ATOM 0 HZ2 LYS A 108 -7.201 6.954 -14.419 1.00 1.00 H new ATOM 0 HZ3 LYS A 108 -5.793 7.698 -15.009 1.00 1.00 H new ATOM 531 N VAL A 109 -5.344 4.228 -7.951 1.00 1.00 N ATOM 532 CA VAL A 109 -5.782 2.904 -7.548 1.00 1.00 C ATOM 533 C VAL A 109 -7.284 2.934 -7.260 1.00 1.00 C ATOM 534 O VAL A 109 -7.773 3.837 -6.585 1.00 1.00 O ATOM 535 CB VAL A 109 -4.955 2.419 -6.355 1.00 1.00 C ATOM 536 CG1 VAL A 109 -3.483 2.252 -6.740 1.00 1.00 C ATOM 537 CG2 VAL A 109 -5.107 3.365 -5.163 1.00 1.00 C ATOM 0 H VAL A 109 -5.727 4.992 -7.394 1.00 1.00 H new ATOM 0 HA VAL A 109 -5.619 2.187 -8.353 1.00 1.00 H new ATOM 0 HB VAL A 109 -5.336 1.442 -6.058 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -2.917 1.907 -5.875 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -3.398 1.521 -7.544 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -3.084 3.209 -7.076 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -4.509 2.998 -4.329 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -4.765 4.361 -5.443 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -6.155 3.411 -4.866 1.00 1.00 H new ATOM 547 N ASN A 110 -7.976 1.933 -7.789 1.00 1.00 N ATOM 548 CA ASN A 110 -9.413 1.835 -7.598 1.00 1.00 C ATOM 549 C ASN A 110 -9.745 0.486 -6.954 1.00 1.00 C ATOM 550 O ASN A 110 -9.036 -0.497 -7.164 1.00 1.00 O ATOM 551 CB ASN A 110 -10.154 1.917 -8.934 1.00 1.00 C ATOM 552 CG ASN A 110 -10.028 3.314 -9.545 1.00 1.00 C ATOM 553 OD1 ASN A 110 -10.621 4.275 -9.087 1.00 1.00 O ATOM 554 ND2 ASN A 110 -9.222 3.371 -10.603 1.00 1.00 N ATOM 0 H ASN A 110 -7.568 1.184 -8.349 1.00 1.00 H new ATOM 0 HA ASN A 110 -9.727 2.663 -6.962 1.00 1.00 H new ATOM 0 HB2 ASN A 110 -9.750 1.176 -9.624 1.00 1.00 H new ATOM 0 HB3 ASN A 110 -11.206 1.674 -8.786 1.00 1.00 H new ATOM 0 HD21 ASN A 110 -9.071 4.259 -11.082 1.00 1.00 H new ATOM 0 HD22 ASN A 110 -8.756 2.527 -10.935 1.00 1.00 H new ATOM 560 N VAL A 111 -10.825 0.483 -6.186 1.00 1.00 N ATOM 561 CA VAL A 111 -11.259 -0.728 -5.511 1.00 1.00 C ATOM 562 C VAL A 111 -11.092 -1.920 -6.456 1.00 1.00 C ATOM 563 O VAL A 111 -11.832 -2.054 -7.430 1.00 1.00 O ATOM 564 CB VAL A 111 -12.695 -0.560 -5.009 1.00 1.00 C ATOM 565 CG1 VAL A 111 -13.380 -1.918 -4.843 1.00 1.00 C ATOM 566 CG2 VAL A 111 -12.728 0.235 -3.702 1.00 1.00 C ATOM 0 H VAL A 111 -11.412 1.300 -6.016 1.00 1.00 H new ATOM 0 HA VAL A 111 -10.642 -0.919 -4.633 1.00 1.00 H new ATOM 0 HB VAL A 111 -13.249 0.005 -5.759 1.00 1.00 H new ATOM 0 HG11 VAL A 111 -14.399 -1.770 -4.485 1.00 1.00 H new ATOM 0 HG12 VAL A 111 -13.404 -2.433 -5.803 1.00 1.00 H new ATOM 0 HG13 VAL A 111 -12.826 -2.519 -4.122 1.00 1.00 H new ATOM 0 HG21 VAL A 111 -13.760 0.341 -3.366 1.00 1.00 H new ATOM 0 HG22 VAL A 111 -12.151 -0.291 -2.942 1.00 1.00 H new ATOM 0 HG23 VAL A 111 -12.297 1.223 -3.866 1.00 1.00 H new ATOM 576 N GLY A 112 -10.115 -2.756 -6.134 1.00 1.00 N ATOM 577 CA GLY A 112 -9.842 -3.932 -6.942 1.00 1.00 C ATOM 578 C GLY A 112 -8.386 -3.948 -7.412 1.00 1.00 C ATOM 579 O GLY A 112 -7.891 -4.974 -7.874 1.00 1.00 O ATOM 0 H GLY A 112 -9.504 -2.642 -5.325 1.00 1.00 H new ATOM 0 HA2 GLY A 112 -10.051 -4.832 -6.363 1.00 1.00 H new ATOM 0 HA3 GLY A 112 -10.507 -3.947 -7.806 1.00 1.00 H new ATOM 583 N ASP A 113 -7.741 -2.798 -7.278 1.00 1.00 N ATOM 584 CA ASP A 113 -6.353 -2.667 -7.684 1.00 1.00 C ATOM 585 C ASP A 113 -5.447 -2.962 -6.486 1.00 1.00 C ATOM 586 O ASP A 113 -5.720 -2.518 -5.373 1.00 1.00 O ATOM 587 CB ASP A 113 -6.052 -1.246 -8.165 1.00 1.00 C ATOM 588 CG ASP A 113 -5.912 -1.094 -9.681 1.00 1.00 C ATOM 589 OD1 ASP A 113 -5.242 -1.900 -10.345 1.00 1.00 O ATOM 590 OD2 ASP A 113 -6.534 -0.084 -10.187 1.00 1.00 O ATOM 0 H ASP A 113 -8.155 -1.949 -6.894 1.00 1.00 H new ATOM 0 HA ASP A 113 -6.171 -3.369 -8.497 1.00 1.00 H new ATOM 0 HB2 ASP A 113 -6.848 -0.585 -7.820 1.00 1.00 H new ATOM 0 HB3 ASP A 113 -5.130 -0.907 -7.694 1.00 1.00 H new ATOM 595 N THR A 114 -4.386 -3.709 -6.758 1.00 1.00 N ATOM 596 CA THR A 114 -3.439 -4.068 -5.716 1.00 1.00 C ATOM 597 C THR A 114 -2.762 -2.816 -5.156 1.00 1.00 C ATOM 598 O THR A 114 -2.799 -1.755 -5.777 1.00 1.00 O ATOM 599 CB THR A 114 -2.453 -5.080 -6.304 1.00 1.00 C ATOM 600 OG1 THR A 114 -3.282 -6.131 -6.789 1.00 1.00 O ATOM 601 CG2 THR A 114 -1.591 -5.749 -5.231 1.00 1.00 C ATOM 0 H THR A 114 -4.162 -4.075 -7.683 1.00 1.00 H new ATOM 0 HA THR A 114 -3.941 -4.534 -4.868 1.00 1.00 H new ATOM 0 HB THR A 114 -1.809 -4.581 -7.027 1.00 1.00 H new ATOM 0 HG1 THR A 114 -3.624 -6.653 -6.033 1.00 1.00 H new ATOM 0 HG21 THR A 114 -0.909 -6.457 -5.701 1.00 1.00 H new ATOM 0 HG22 THR A 114 -1.016 -4.990 -4.701 1.00 1.00 H new ATOM 0 HG23 THR A 114 -2.233 -6.277 -4.526 1.00 1.00 H new ATOM 609 N LEU A 115 -2.160 -2.981 -3.987 1.00 1.00 N ATOM 610 CA LEU A 115 -1.477 -1.877 -3.335 1.00 1.00 C ATOM 611 C LEU A 115 -0.021 -2.269 -3.071 1.00 1.00 C ATOM 612 O LEU A 115 0.890 -1.471 -3.291 1.00 1.00 O ATOM 613 CB LEU A 115 -2.234 -1.443 -2.079 1.00 1.00 C ATOM 614 CG LEU A 115 -2.608 0.038 -1.998 1.00 1.00 C ATOM 615 CD1 LEU A 115 -3.167 0.535 -3.332 1.00 1.00 C ATOM 616 CD2 LEU A 115 -3.574 0.297 -0.841 1.00 1.00 C ATOM 0 H LEU A 115 -2.131 -3.863 -3.475 1.00 1.00 H new ATOM 0 HA LEU A 115 -1.460 -1.003 -3.986 1.00 1.00 H new ATOM 0 HB2 LEU A 115 -3.148 -2.032 -2.008 1.00 1.00 H new ATOM 0 HB3 LEU A 115 -1.626 -1.692 -1.209 1.00 1.00 H new ATOM 0 HG LEU A 115 -1.702 0.609 -1.795 1.00 1.00 H new ATOM 0 HD11 LEU A 115 -3.425 1.591 -3.248 1.00 1.00 H new ATOM 0 HD12 LEU A 115 -2.416 0.406 -4.112 1.00 1.00 H new ATOM 0 HD13 LEU A 115 -4.059 -0.037 -3.589 1.00 1.00 H new ATOM 0 HD21 LEU A 115 -3.824 1.357 -0.806 1.00 1.00 H new ATOM 0 HD22 LEU A 115 -4.483 -0.285 -0.989 1.00 1.00 H new ATOM 0 HD23 LEU A 115 -3.104 0.004 0.098 1.00 1.00 H new ATOM 627 N CYS A 116 0.153 -3.496 -2.603 1.00 1.00 N ATOM 628 CA CYS A 116 1.482 -4.003 -2.307 1.00 1.00 C ATOM 629 C CYS A 116 1.353 -5.467 -1.883 1.00 1.00 C ATOM 630 O CYS A 116 0.295 -6.073 -2.043 1.00 1.00 O ATOM 631 CB CYS A 116 2.185 -3.158 -1.242 1.00 1.00 C ATOM 632 SG CYS A 116 1.208 -3.164 0.306 1.00 1.00 S ATOM 0 H CYS A 116 -0.605 -4.154 -2.421 1.00 1.00 H new ATOM 0 HA CYS A 116 2.107 -3.938 -3.198 1.00 1.00 H new ATOM 0 HB2 CYS A 116 3.183 -3.553 -1.053 1.00 1.00 H new ATOM 0 HB3 CYS A 116 2.309 -2.136 -1.600 1.00 1.00 H new ATOM 0 HG CYS A 116 2.011 -3.104 1.326 1.00 1.00 H new ATOM 637 N ILE A 117 2.447 -5.993 -1.348 1.00 1.00 N ATOM 638 CA ILE A 117 2.469 -7.375 -0.899 1.00 1.00 C ATOM 639 C ILE A 117 3.050 -7.437 0.516 1.00 1.00 C ATOM 640 O ILE A 117 3.899 -6.623 0.879 1.00 1.00 O ATOM 641 CB ILE A 117 3.211 -8.253 -1.907 1.00 1.00 C ATOM 642 CG1 ILE A 117 2.719 -7.989 -3.331 1.00 1.00 C ATOM 643 CG2 ILE A 117 3.105 -9.732 -1.530 1.00 1.00 C ATOM 644 CD1 ILE A 117 1.286 -8.492 -3.518 1.00 1.00 C ATOM 0 H ILE A 117 3.323 -5.487 -1.216 1.00 1.00 H new ATOM 0 HA ILE A 117 1.457 -7.776 -0.847 1.00 1.00 H new ATOM 0 HB ILE A 117 4.268 -7.988 -1.877 1.00 1.00 H new ATOM 0 HG12 ILE A 117 2.764 -6.921 -3.543 1.00 1.00 H new ATOM 0 HG13 ILE A 117 3.378 -8.483 -4.045 1.00 1.00 H new ATOM 0 HG21 ILE A 117 3.641 -10.334 -2.264 1.00 1.00 H new ATOM 0 HG22 ILE A 117 3.541 -9.888 -0.543 1.00 1.00 H new ATOM 0 HG23 ILE A 117 2.056 -10.029 -1.514 1.00 1.00 H new ATOM 0 HD11 ILE A 117 0.961 -8.292 -4.539 1.00 1.00 H new ATOM 0 HD12 ILE A 117 1.249 -9.565 -3.329 1.00 1.00 H new ATOM 0 HD13 ILE A 117 0.626 -7.978 -2.819 1.00 1.00 H new ATOM 655 N VAL A 118 2.571 -8.410 1.275 1.00 1.00 N ATOM 656 CA VAL A 118 3.032 -8.590 2.642 1.00 1.00 C ATOM 657 C VAL A 118 3.441 -10.049 2.849 1.00 1.00 C ATOM 658 O VAL A 118 2.667 -10.962 2.568 1.00 1.00 O ATOM 659 CB VAL A 118 1.953 -8.127 3.623 1.00 1.00 C ATOM 660 CG1 VAL A 118 2.257 -8.613 5.041 1.00 1.00 C ATOM 661 CG2 VAL A 118 1.794 -6.605 3.586 1.00 1.00 C ATOM 0 H VAL A 118 1.868 -9.083 0.970 1.00 1.00 H new ATOM 0 HA VAL A 118 3.912 -7.975 2.833 1.00 1.00 H new ATOM 0 HB VAL A 118 1.006 -8.569 3.313 1.00 1.00 H new ATOM 0 HG11 VAL A 118 1.475 -8.270 5.719 1.00 1.00 H new ATOM 0 HG12 VAL A 118 2.295 -9.702 5.052 1.00 1.00 H new ATOM 0 HG13 VAL A 118 3.218 -8.213 5.364 1.00 1.00 H new ATOM 0 HG21 VAL A 118 1.021 -6.303 4.292 1.00 1.00 H new ATOM 0 HG22 VAL A 118 2.739 -6.134 3.858 1.00 1.00 H new ATOM 0 HG23 VAL A 118 1.509 -6.293 2.581 1.00 1.00 H new ATOM 671 N GLU A 119 4.660 -10.224 3.340 1.00 1.00 N ATOM 672 CA GLU A 119 5.183 -11.556 3.589 1.00 1.00 C ATOM 673 C GLU A 119 5.068 -11.902 5.075 1.00 1.00 C ATOM 674 O GLU A 119 5.382 -11.080 5.933 1.00 1.00 O ATOM 675 CB GLU A 119 6.631 -11.676 3.108 1.00 1.00 C ATOM 676 CG GLU A 119 6.867 -13.017 2.410 1.00 1.00 C ATOM 677 CD GLU A 119 8.113 -12.960 1.523 1.00 1.00 C ATOM 678 OE1 GLU A 119 9.183 -12.538 1.983 1.00 1.00 O ATOM 679 OE2 GLU A 119 7.940 -13.375 0.314 1.00 1.00 O ATOM 0 H GLU A 119 5.300 -9.465 3.572 1.00 1.00 H new ATOM 0 HA GLU A 119 4.587 -12.271 3.022 1.00 1.00 H new ATOM 0 HB2 GLU A 119 6.859 -10.860 2.422 1.00 1.00 H new ATOM 0 HB3 GLU A 119 7.309 -11.579 3.956 1.00 1.00 H new ATOM 0 HG2 GLU A 119 6.982 -13.804 3.155 1.00 1.00 H new ATOM 0 HG3 GLU A 119 5.997 -13.275 1.806 1.00 1.00 H new ATOM 685 N ALA A 120 4.617 -13.121 5.333 1.00 1.00 N ATOM 686 CA ALA A 120 4.458 -13.586 6.699 1.00 1.00 C ATOM 687 C ALA A 120 5.059 -14.988 6.831 1.00 1.00 C ATOM 688 O ALA A 120 5.637 -15.510 5.879 1.00 1.00 O ATOM 689 CB ALA A 120 2.977 -13.549 7.082 1.00 1.00 C ATOM 0 H ALA A 120 4.357 -13.800 4.618 1.00 1.00 H new ATOM 0 HA ALA A 120 4.991 -12.933 7.390 1.00 1.00 H new ATOM 0 HB1 ALA A 120 2.858 -13.898 8.108 1.00 1.00 H new ATOM 0 HB2 ALA A 120 2.606 -12.527 7.001 1.00 1.00 H new ATOM 0 HB3 ALA A 120 2.411 -14.195 6.411 1.00 1.00 H new ATOM 695 N MET A 121 4.900 -15.556 8.017 1.00 1.00 N ATOM 696 CA MET A 121 5.420 -16.886 8.285 1.00 1.00 C ATOM 697 C MET A 121 5.213 -17.808 7.081 1.00 1.00 C ATOM 698 O MET A 121 4.159 -18.426 6.941 1.00 1.00 O ATOM 699 CB MET A 121 4.712 -17.475 9.506 1.00 1.00 C ATOM 700 CG MET A 121 5.043 -16.679 10.769 1.00 1.00 C ATOM 701 SD MET A 121 6.037 -17.668 11.872 1.00 1.00 S ATOM 702 CE MET A 121 4.759 -18.336 12.926 1.00 1.00 C ATOM 0 H MET A 121 4.419 -15.120 8.803 1.00 1.00 H new ATOM 0 HA MET A 121 6.490 -16.805 8.478 1.00 1.00 H new ATOM 0 HB2 MET A 121 3.634 -17.472 9.342 1.00 1.00 H new ATOM 0 HB3 MET A 121 5.012 -18.515 9.638 1.00 1.00 H new ATOM 0 HG2 MET A 121 5.578 -15.767 10.504 1.00 1.00 H new ATOM 0 HG3 MET A 121 4.123 -16.376 11.269 1.00 1.00 H new ATOM 0 HE1 MET A 121 5.209 -18.983 13.679 1.00 1.00 H new ATOM 0 HE2 MET A 121 4.230 -17.520 13.418 1.00 1.00 H new ATOM 0 HE3 MET A 121 4.057 -18.914 12.325 1.00 1.00 H new ATOM 710 N LYS A 122 6.237 -17.871 6.242 1.00 1.00 N ATOM 711 CA LYS A 122 6.181 -18.707 5.055 1.00 1.00 C ATOM 712 C LYS A 122 4.787 -18.606 4.430 1.00 1.00 C ATOM 713 O LYS A 122 4.123 -19.619 4.220 1.00 1.00 O ATOM 714 CB LYS A 122 6.603 -20.139 5.388 1.00 1.00 C ATOM 715 CG LYS A 122 5.700 -20.740 6.468 1.00 1.00 C ATOM 716 CD LYS A 122 5.969 -22.237 6.637 1.00 1.00 C ATOM 717 CE LYS A 122 5.395 -23.033 5.463 1.00 1.00 C ATOM 718 NZ LYS A 122 3.924 -23.148 5.585 1.00 1.00 N ATOM 0 H LYS A 122 7.110 -17.357 6.361 1.00 1.00 H new ATOM 0 HA LYS A 122 6.892 -18.355 4.308 1.00 1.00 H new ATOM 0 HB2 LYS A 122 6.559 -20.753 4.489 1.00 1.00 H new ATOM 0 HB3 LYS A 122 7.638 -20.147 5.729 1.00 1.00 H new ATOM 0 HG2 LYS A 122 5.869 -20.227 7.415 1.00 1.00 H new ATOM 0 HG3 LYS A 122 4.655 -20.582 6.202 1.00 1.00 H new ATOM 0 HD2 LYS A 122 7.043 -22.411 6.709 1.00 1.00 H new ATOM 0 HD3 LYS A 122 5.526 -22.587 7.569 1.00 1.00 H new ATOM 0 HE2 LYS A 122 5.651 -22.543 4.524 1.00 1.00 H new ATOM 0 HE3 LYS A 122 5.842 -24.027 5.436 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 3.571 -23.840 4.893 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 3.679 -23.463 6.545 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 3.487 -22.222 5.402 1.00 1.00 H new ATOM 727 N MET A 123 4.388 -17.374 4.152 1.00 1.00 N ATOM 728 CA MET A 123 3.086 -17.128 3.555 1.00 1.00 C ATOM 729 C MET A 123 3.033 -15.742 2.907 1.00 1.00 C ATOM 730 O MET A 123 3.170 -14.728 3.590 1.00 1.00 O ATOM 731 CB MET A 123 2.004 -17.230 4.631 1.00 1.00 C ATOM 732 CG MET A 123 1.198 -18.522 4.476 1.00 1.00 C ATOM 733 SD MET A 123 -0.544 -18.183 4.679 1.00 1.00 S ATOM 734 CE MET A 123 -0.683 -18.331 6.453 1.00 1.00 C ATOM 0 H MET A 123 4.942 -16.536 4.329 1.00 1.00 H new ATOM 0 HA MET A 123 2.914 -17.877 2.782 1.00 1.00 H new ATOM 0 HB2 MET A 123 2.464 -17.200 5.619 1.00 1.00 H new ATOM 0 HB3 MET A 123 1.337 -16.371 4.564 1.00 1.00 H new ATOM 0 HG2 MET A 123 1.380 -18.958 3.494 1.00 1.00 H new ATOM 0 HG3 MET A 123 1.523 -19.254 5.215 1.00 1.00 H new ATOM 0 HE1 MET A 123 -1.715 -18.148 6.754 1.00 1.00 H new ATOM 0 HE2 MET A 123 -0.388 -19.335 6.759 1.00 1.00 H new ATOM 0 HE3 MET A 123 -0.031 -17.600 6.931 1.00 1.00 H new ATOM 742 N MET A 124 2.834 -15.743 1.598 1.00 1.00 N ATOM 743 CA MET A 124 2.761 -14.499 0.851 1.00 1.00 C ATOM 744 C MET A 124 1.317 -14.002 0.752 1.00 1.00 C ATOM 745 O MET A 124 0.408 -14.780 0.465 1.00 1.00 O ATOM 746 CB MET A 124 3.325 -14.713 -0.554 1.00 1.00 C ATOM 747 CG MET A 124 2.300 -15.402 -1.458 1.00 1.00 C ATOM 748 SD MET A 124 1.936 -17.034 -0.834 1.00 1.00 S ATOM 749 CE MET A 124 0.204 -17.145 -1.248 1.00 1.00 C ATOM 0 H MET A 124 2.721 -16.586 1.035 1.00 1.00 H new ATOM 0 HA MET A 124 3.349 -13.747 1.377 1.00 1.00 H new ATOM 0 HB2 MET A 124 3.609 -13.753 -0.986 1.00 1.00 H new ATOM 0 HB3 MET A 124 4.230 -15.318 -0.498 1.00 1.00 H new ATOM 0 HG2 MET A 124 1.387 -14.809 -1.504 1.00 1.00 H new ATOM 0 HG3 MET A 124 2.687 -15.470 -2.475 1.00 1.00 H new ATOM 0 HE1 MET A 124 -0.393 -17.057 -0.340 1.00 1.00 H new ATOM 0 HE2 MET A 124 -0.058 -16.340 -1.934 1.00 1.00 H new ATOM 0 HE3 MET A 124 0.004 -18.106 -1.722 1.00 1.00 H new ATOM 757 N ASN A 125 1.151 -12.710 0.993 1.00 1.00 N ATOM 758 CA ASN A 125 -0.167 -12.101 0.935 1.00 1.00 C ATOM 759 C ASN A 125 -0.085 -10.795 0.143 1.00 1.00 C ATOM 760 O ASN A 125 1.000 -10.252 -0.057 1.00 1.00 O ATOM 761 CB ASN A 125 -0.684 -11.772 2.337 1.00 1.00 C ATOM 762 CG ASN A 125 -0.758 -13.031 3.203 1.00 1.00 C ATOM 763 OD1 ASN A 125 0.418 -13.431 3.678 1.00 1.00 O flip ATOM 764 ND2 ASN A 125 -1.813 -13.601 3.427 1.00 1.00 N flip ATOM 0 H ASN A 125 1.908 -12.068 1.229 1.00 1.00 H new ATOM 0 HA ASN A 125 -0.845 -12.808 0.458 1.00 1.00 H new ATOM 0 HB2 ASN A 125 -0.028 -11.040 2.808 1.00 1.00 H new ATOM 0 HB3 ASN A 125 -1.672 -11.316 2.267 1.00 1.00 H new ATOM 0 HD21 ASN A 125 -2.681 -13.241 3.031 1.00 1.00 H new ATOM 0 HD22 ASN A 125 -1.827 -14.438 4.010 1.00 1.00 H new ATOM 770 N GLN A 126 -1.249 -10.327 -0.287 1.00 1.00 N ATOM 771 CA GLN A 126 -1.322 -9.094 -1.053 1.00 1.00 C ATOM 772 C GLN A 126 -2.356 -8.149 -0.438 1.00 1.00 C ATOM 773 O GLN A 126 -3.292 -8.592 0.225 1.00 1.00 O ATOM 774 CB GLN A 126 -1.645 -9.380 -2.521 1.00 1.00 C ATOM 775 CG GLN A 126 -2.113 -8.111 -3.237 1.00 1.00 C ATOM 776 CD GLN A 126 -2.492 -8.408 -4.689 1.00 1.00 C ATOM 777 OE1 GLN A 126 -3.757 -8.125 -4.986 1.00 1.00 O flip ATOM 778 NE2 GLN A 126 -1.689 -8.865 -5.486 1.00 1.00 N flip ATOM 0 H GLN A 126 -2.148 -10.779 -0.119 1.00 1.00 H new ATOM 0 HA GLN A 126 -0.347 -8.608 -1.018 1.00 1.00 H new ATOM 0 HB2 GLN A 126 -0.762 -9.779 -3.020 1.00 1.00 H new ATOM 0 HB3 GLN A 126 -2.420 -10.144 -2.584 1.00 1.00 H new ATOM 0 HG2 GLN A 126 -2.970 -7.689 -2.713 1.00 1.00 H new ATOM 0 HG3 GLN A 126 -1.322 -7.361 -3.210 1.00 1.00 H new ATOM 0 HE21 GLN A 126 -0.732 -9.059 -5.191 1.00 1.00 H new ATOM 0 HE22 GLN A 126 -1.975 -9.053 -6.447 1.00 1.00 H new ATOM 785 N ILE A 127 -2.152 -6.863 -0.682 1.00 1.00 N ATOM 786 CA ILE A 127 -3.055 -5.851 -0.160 1.00 1.00 C ATOM 787 C ILE A 127 -3.816 -5.206 -1.320 1.00 1.00 C ATOM 788 O ILE A 127 -3.214 -4.580 -2.190 1.00 1.00 O ATOM 789 CB ILE A 127 -2.291 -4.847 0.707 1.00 1.00 C ATOM 790 CG1 ILE A 127 -1.171 -5.537 1.487 1.00 1.00 C ATOM 791 CG2 ILE A 127 -3.244 -4.082 1.628 1.00 1.00 C ATOM 792 CD1 ILE A 127 -0.718 -4.680 2.671 1.00 1.00 C ATOM 0 H ILE A 127 -1.375 -6.499 -1.234 1.00 1.00 H new ATOM 0 HA ILE A 127 -3.797 -6.305 0.496 1.00 1.00 H new ATOM 0 HB ILE A 127 -1.822 -4.115 0.050 1.00 1.00 H new ATOM 0 HG12 ILE A 127 -1.517 -6.506 1.846 1.00 1.00 H new ATOM 0 HG13 ILE A 127 -0.325 -5.726 0.826 1.00 1.00 H new ATOM 0 HG21 ILE A 127 -2.676 -3.375 2.233 1.00 1.00 H new ATOM 0 HG22 ILE A 127 -3.974 -3.540 1.027 1.00 1.00 H new ATOM 0 HG23 ILE A 127 -3.761 -4.785 2.281 1.00 1.00 H new ATOM 0 HD11 ILE A 127 0.079 -5.194 3.208 1.00 1.00 H new ATOM 0 HD12 ILE A 127 -0.350 -3.721 2.306 1.00 1.00 H new ATOM 0 HD13 ILE A 127 -1.560 -4.514 3.343 1.00 1.00 H new ATOM 803 N GLU A 128 -5.130 -5.382 -1.295 1.00 1.00 N ATOM 804 CA GLU A 128 -5.980 -4.826 -2.333 1.00 1.00 C ATOM 805 C GLU A 128 -6.588 -3.501 -1.868 1.00 1.00 C ATOM 806 O GLU A 128 -7.165 -3.426 -0.785 1.00 1.00 O ATOM 807 CB GLU A 128 -7.071 -5.818 -2.738 1.00 1.00 C ATOM 808 CG GLU A 128 -7.745 -5.390 -4.044 1.00 1.00 C ATOM 809 CD GLU A 128 -8.705 -4.223 -3.806 1.00 1.00 C ATOM 810 OE1 GLU A 128 -8.450 -3.103 -4.276 1.00 1.00 O ATOM 811 OE2 GLU A 128 -9.750 -4.509 -3.107 1.00 1.00 O ATOM 0 H GLU A 128 -5.626 -5.902 -0.571 1.00 1.00 H new ATOM 0 HA GLU A 128 -5.367 -4.633 -3.213 1.00 1.00 H new ATOM 0 HB2 GLU A 128 -6.638 -6.811 -2.857 1.00 1.00 H new ATOM 0 HB3 GLU A 128 -7.816 -5.888 -1.946 1.00 1.00 H new ATOM 0 HG2 GLU A 128 -6.987 -5.100 -4.771 1.00 1.00 H new ATOM 0 HG3 GLU A 128 -8.289 -6.233 -4.470 1.00 1.00 H new ATOM 817 N ALA A 129 -6.438 -2.489 -2.711 1.00 1.00 N ATOM 818 CA ALA A 129 -6.965 -1.172 -2.400 1.00 1.00 C ATOM 819 C ALA A 129 -8.342 -1.319 -1.751 1.00 1.00 C ATOM 820 O ALA A 129 -9.187 -2.066 -2.242 1.00 1.00 O ATOM 821 CB ALA A 129 -7.007 -0.325 -3.674 1.00 1.00 C ATOM 0 H ALA A 129 -5.959 -2.555 -3.609 1.00 1.00 H new ATOM 0 HA ALA A 129 -6.319 -0.658 -1.688 1.00 1.00 H new ATOM 0 HB1 ALA A 129 -7.403 0.664 -3.441 1.00 1.00 H new ATOM 0 HB2 ALA A 129 -6.000 -0.227 -4.079 1.00 1.00 H new ATOM 0 HB3 ALA A 129 -7.649 -0.808 -4.411 1.00 1.00 H new ATOM 827 N ASP A 130 -8.526 -0.594 -0.657 1.00 1.00 N ATOM 828 CA ASP A 130 -9.787 -0.633 0.064 1.00 1.00 C ATOM 829 C ASP A 130 -10.406 0.765 0.078 1.00 1.00 C ATOM 830 O ASP A 130 -11.325 1.034 0.851 1.00 1.00 O ATOM 831 CB ASP A 130 -9.578 -1.073 1.515 1.00 1.00 C ATOM 832 CG ASP A 130 -10.814 -1.661 2.196 1.00 1.00 C ATOM 833 OD1 ASP A 130 -11.821 -0.966 2.404 1.00 1.00 O ATOM 834 OD2 ASP A 130 -10.716 -2.905 2.524 1.00 1.00 O ATOM 0 H ASP A 130 -7.823 0.024 -0.252 1.00 1.00 H new ATOM 0 HA ASP A 130 -10.441 -1.346 -0.439 1.00 1.00 H new ATOM 0 HB2 ASP A 130 -8.779 -1.814 1.543 1.00 1.00 H new ATOM 0 HB3 ASP A 130 -9.237 -0.215 2.094 1.00 1.00 H new ATOM 839 N LYS A 131 -9.879 1.621 -0.785 1.00 1.00 N ATOM 840 CA LYS A 131 -10.367 2.985 -0.881 1.00 1.00 C ATOM 841 C LYS A 131 -9.663 3.694 -2.040 1.00 1.00 C ATOM 842 O LYS A 131 -8.605 4.296 -1.853 1.00 1.00 O ATOM 843 CB LYS A 131 -10.220 3.704 0.461 1.00 1.00 C ATOM 844 CG LYS A 131 -11.061 4.982 0.495 1.00 1.00 C ATOM 845 CD LYS A 131 -10.168 6.224 0.549 1.00 1.00 C ATOM 846 CE LYS A 131 -10.992 7.477 0.850 1.00 1.00 C ATOM 847 NZ LYS A 131 -10.943 8.417 -0.291 1.00 1.00 N ATOM 0 H LYS A 131 -9.117 1.395 -1.425 1.00 1.00 H new ATOM 0 HA LYS A 131 -11.434 2.992 -1.104 1.00 1.00 H new ATOM 0 HB2 LYS A 131 -10.528 3.040 1.269 1.00 1.00 H new ATOM 0 HB3 LYS A 131 -9.172 3.950 0.633 1.00 1.00 H new ATOM 0 HG2 LYS A 131 -11.698 5.026 -0.388 1.00 1.00 H new ATOM 0 HG3 LYS A 131 -11.720 4.965 1.363 1.00 1.00 H new ATOM 0 HD2 LYS A 131 -9.404 6.094 1.315 1.00 1.00 H new ATOM 0 HD3 LYS A 131 -9.649 6.345 -0.402 1.00 1.00 H new ATOM 0 HE2 LYS A 131 -12.026 7.199 1.055 1.00 1.00 H new ATOM 0 HE3 LYS A 131 -10.609 7.964 1.747 1.00 1.00 H new ATOM 0 HZ1 LYS A 131 -11.508 9.262 -0.069 1.00 1.00 H new ATOM 0 HZ2 LYS A 131 -9.957 8.696 -0.469 1.00 1.00 H new ATOM 0 HZ3 LYS A 131 -11.330 7.955 -1.139 1.00 1.00 H new ATOM 856 N SER A 132 -10.277 3.602 -3.209 1.00 1.00 N ATOM 857 CA SER A 132 -9.722 4.228 -4.398 1.00 1.00 C ATOM 858 C SER A 132 -9.128 5.592 -4.042 1.00 1.00 C ATOM 859 O SER A 132 -9.746 6.372 -3.318 1.00 1.00 O ATOM 860 CB SER A 132 -10.784 4.379 -5.488 1.00 1.00 C ATOM 861 OG SER A 132 -11.785 5.327 -5.131 1.00 1.00 O ATOM 0 H SER A 132 -11.154 3.103 -3.360 1.00 1.00 H new ATOM 0 HA SER A 132 -8.932 3.585 -4.786 1.00 1.00 H new ATOM 0 HB2 SER A 132 -10.307 4.688 -6.418 1.00 1.00 H new ATOM 0 HB3 SER A 132 -11.251 3.412 -5.675 1.00 1.00 H new ATOM 0 HG SER A 132 -12.443 5.396 -5.854 1.00 1.00 H new ATOM 866 N GLY A 133 -7.937 5.839 -4.568 1.00 1.00 N ATOM 867 CA GLY A 133 -7.254 7.097 -4.315 1.00 1.00 C ATOM 868 C GLY A 133 -5.950 7.182 -5.111 1.00 1.00 C ATOM 869 O GLY A 133 -5.667 6.318 -5.939 1.00 1.00 O ATOM 0 H GLY A 133 -7.428 5.190 -5.168 1.00 1.00 H new ATOM 0 HA2 GLY A 133 -7.904 7.929 -4.585 1.00 1.00 H new ATOM 0 HA3 GLY A 133 -7.041 7.192 -3.250 1.00 1.00 H new ATOM 873 N THR A 134 -5.192 8.233 -4.833 1.00 1.00 N ATOM 874 CA THR A 134 -3.925 8.442 -5.514 1.00 1.00 C ATOM 875 C THR A 134 -2.765 8.348 -4.521 1.00 1.00 C ATOM 876 O THR A 134 -2.943 8.589 -3.328 1.00 1.00 O ATOM 877 CB THR A 134 -3.996 9.787 -6.239 1.00 1.00 C ATOM 878 OG1 THR A 134 -5.082 9.634 -7.150 1.00 1.00 O ATOM 879 CG2 THR A 134 -2.784 10.029 -7.142 1.00 1.00 C ATOM 0 H THR A 134 -5.431 8.948 -4.146 1.00 1.00 H new ATOM 0 HA THR A 134 -3.741 7.665 -6.256 1.00 1.00 H new ATOM 0 HB THR A 134 -4.070 10.591 -5.507 1.00 1.00 H new ATOM 0 HG1 THR A 134 -5.200 10.462 -7.661 1.00 1.00 H new ATOM 0 HG21 THR A 134 -2.884 10.997 -7.633 1.00 1.00 H new ATOM 0 HG22 THR A 134 -1.875 10.019 -6.541 1.00 1.00 H new ATOM 0 HG23 THR A 134 -2.729 9.244 -7.896 1.00 1.00 H new ATOM 887 N VAL A 135 -1.603 7.997 -5.050 1.00 1.00 N ATOM 888 CA VAL A 135 -0.414 7.868 -4.225 1.00 1.00 C ATOM 889 C VAL A 135 -0.257 9.122 -3.363 1.00 1.00 C ATOM 890 O VAL A 135 -0.593 10.224 -3.797 1.00 1.00 O ATOM 891 CB VAL A 135 0.807 7.592 -5.106 1.00 1.00 C ATOM 892 CG1 VAL A 135 1.197 8.835 -5.908 1.00 1.00 C ATOM 893 CG2 VAL A 135 1.984 7.087 -4.270 1.00 1.00 C ATOM 0 H VAL A 135 -1.459 7.798 -6.040 1.00 1.00 H new ATOM 0 HA VAL A 135 -0.510 7.019 -3.549 1.00 1.00 H new ATOM 0 HB VAL A 135 0.539 6.808 -5.814 1.00 1.00 H new ATOM 0 HG11 VAL A 135 2.067 8.612 -6.525 1.00 1.00 H new ATOM 0 HG12 VAL A 135 0.365 9.131 -6.547 1.00 1.00 H new ATOM 0 HG13 VAL A 135 1.437 9.649 -5.224 1.00 1.00 H new ATOM 0 HG21 VAL A 135 2.838 6.899 -4.921 1.00 1.00 H new ATOM 0 HG22 VAL A 135 2.252 7.839 -3.528 1.00 1.00 H new ATOM 0 HG23 VAL A 135 1.702 6.163 -3.765 1.00 1.00 H new ATOM 903 N LYS A 136 0.253 8.913 -2.159 1.00 1.00 N ATOM 904 CA LYS A 136 0.459 10.014 -1.232 1.00 1.00 C ATOM 905 C LYS A 136 1.922 10.035 -0.787 1.00 1.00 C ATOM 906 O LYS A 136 2.551 11.092 -0.760 1.00 1.00 O ATOM 907 CB LYS A 136 -0.535 9.929 -0.071 1.00 1.00 C ATOM 908 CG LYS A 136 -0.845 11.320 0.488 1.00 1.00 C ATOM 909 CD LYS A 136 -2.302 11.415 0.944 1.00 1.00 C ATOM 910 CE LYS A 136 -2.433 11.092 2.433 1.00 1.00 C ATOM 911 NZ LYS A 136 -1.447 11.865 3.220 1.00 1.00 N ATOM 0 H LYS A 136 0.530 7.998 -1.803 1.00 1.00 H new ATOM 0 HA LYS A 136 0.262 10.967 -1.723 1.00 1.00 H new ATOM 0 HB2 LYS A 136 -1.456 9.456 -0.410 1.00 1.00 H new ATOM 0 HB3 LYS A 136 -0.125 9.299 0.718 1.00 1.00 H new ATOM 0 HG2 LYS A 136 -0.183 11.535 1.327 1.00 1.00 H new ATOM 0 HG3 LYS A 136 -0.649 12.074 -0.274 1.00 1.00 H new ATOM 0 HD2 LYS A 136 -2.682 12.418 0.751 1.00 1.00 H new ATOM 0 HD3 LYS A 136 -2.914 10.725 0.363 1.00 1.00 H new ATOM 0 HE2 LYS A 136 -3.442 11.324 2.774 1.00 1.00 H new ATOM 0 HE3 LYS A 136 -2.280 10.025 2.594 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 -1.716 11.850 4.224 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 -0.504 11.441 3.108 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 -1.427 12.848 2.882 1.00 1.00 H new ATOM 920 N ALA A 137 2.422 8.855 -0.450 1.00 1.00 N ATOM 921 CA ALA A 137 3.800 8.724 -0.009 1.00 1.00 C ATOM 922 C ALA A 137 4.003 7.341 0.613 1.00 1.00 C ATOM 923 O ALA A 137 3.196 6.899 1.429 1.00 1.00 O ATOM 924 CB ALA A 137 4.133 9.855 0.965 1.00 1.00 C ATOM 0 H ALA A 137 1.897 7.981 -0.474 1.00 1.00 H new ATOM 0 HA ALA A 137 4.483 8.809 -0.854 1.00 1.00 H new ATOM 0 HB1 ALA A 137 5.167 9.757 1.296 1.00 1.00 H new ATOM 0 HB2 ALA A 137 4.001 10.815 0.466 1.00 1.00 H new ATOM 0 HB3 ALA A 137 3.469 9.800 1.828 1.00 1.00 H new ATOM 930 N ILE A 138 5.086 6.696 0.203 1.00 1.00 N ATOM 931 CA ILE A 138 5.405 5.373 0.709 1.00 1.00 C ATOM 932 C ILE A 138 6.475 5.491 1.796 1.00 1.00 C ATOM 933 O ILE A 138 7.495 6.148 1.597 1.00 1.00 O ATOM 934 CB ILE A 138 5.795 4.440 -0.440 1.00 1.00 C ATOM 935 CG1 ILE A 138 5.052 4.811 -1.725 1.00 1.00 C ATOM 936 CG2 ILE A 138 5.578 2.974 -0.055 1.00 1.00 C ATOM 937 CD1 ILE A 138 5.343 3.800 -2.837 1.00 1.00 C ATOM 0 H ILE A 138 5.753 7.066 -0.474 1.00 1.00 H new ATOM 0 HA ILE A 138 4.528 4.921 1.173 1.00 1.00 H new ATOM 0 HB ILE A 138 6.860 4.567 -0.636 1.00 1.00 H new ATOM 0 HG12 ILE A 138 3.980 4.847 -1.532 1.00 1.00 H new ATOM 0 HG13 ILE A 138 5.351 5.808 -2.048 1.00 1.00 H new ATOM 0 HG21 ILE A 138 5.863 2.333 -0.889 1.00 1.00 H new ATOM 0 HG22 ILE A 138 6.189 2.732 0.814 1.00 1.00 H new ATOM 0 HG23 ILE A 138 4.527 2.812 0.184 1.00 1.00 H new ATOM 0 HD11 ILE A 138 4.803 4.086 -3.740 1.00 1.00 H new ATOM 0 HD12 ILE A 138 6.413 3.785 -3.044 1.00 1.00 H new ATOM 0 HD13 ILE A 138 5.020 2.808 -2.521 1.00 1.00 H new ATOM 948 N LEU A 139 6.205 4.845 2.920 1.00 1.00 N ATOM 949 CA LEU A 139 7.131 4.869 4.039 1.00 1.00 C ATOM 950 C LEU A 139 7.945 3.575 4.050 1.00 1.00 C ATOM 951 O LEU A 139 9.166 3.606 4.201 1.00 1.00 O ATOM 952 CB LEU A 139 6.385 5.138 5.347 1.00 1.00 C ATOM 953 CG LEU A 139 4.966 5.694 5.209 1.00 1.00 C ATOM 954 CD1 LEU A 139 4.283 5.800 6.573 1.00 1.00 C ATOM 955 CD2 LEU A 139 4.973 7.032 4.465 1.00 1.00 C ATOM 0 H LEU A 139 5.357 4.301 3.080 1.00 1.00 H new ATOM 0 HA LEU A 139 7.839 5.690 3.929 1.00 1.00 H new ATOM 0 HB2 LEU A 139 6.336 4.207 5.912 1.00 1.00 H new ATOM 0 HB3 LEU A 139 6.973 5.839 5.939 1.00 1.00 H new ATOM 0 HG LEU A 139 4.381 4.995 4.611 1.00 1.00 H new ATOM 0 HD11 LEU A 139 3.276 6.198 6.446 1.00 1.00 H new ATOM 0 HD12 LEU A 139 4.228 4.812 7.030 1.00 1.00 H new ATOM 0 HD13 LEU A 139 4.858 6.466 7.217 1.00 1.00 H new ATOM 0 HD21 LEU A 139 3.953 7.406 4.380 1.00 1.00 H new ATOM 0 HD22 LEU A 139 5.579 7.751 5.016 1.00 1.00 H new ATOM 0 HD23 LEU A 139 5.392 6.892 3.469 1.00 1.00 H new ATOM 966 N VAL A 140 7.238 2.466 3.888 1.00 1.00 N ATOM 967 CA VAL A 140 7.879 1.163 3.877 1.00 1.00 C ATOM 968 C VAL A 140 8.711 1.019 2.601 1.00 1.00 C ATOM 969 O VAL A 140 8.589 1.827 1.682 1.00 1.00 O ATOM 970 CB VAL A 140 6.829 0.061 4.033 1.00 1.00 C ATOM 971 CG1 VAL A 140 5.865 0.050 2.845 1.00 1.00 C ATOM 972 CG2 VAL A 140 7.492 -1.306 4.215 1.00 1.00 C ATOM 0 H VAL A 140 6.226 2.444 3.763 1.00 1.00 H new ATOM 0 HA VAL A 140 8.560 1.066 4.722 1.00 1.00 H new ATOM 0 HB VAL A 140 6.250 0.274 4.932 1.00 1.00 H new ATOM 0 HG11 VAL A 140 5.129 -0.742 2.981 1.00 1.00 H new ATOM 0 HG12 VAL A 140 5.355 1.011 2.781 1.00 1.00 H new ATOM 0 HG13 VAL A 140 6.423 -0.127 1.925 1.00 1.00 H new ATOM 0 HG21 VAL A 140 6.724 -2.071 4.324 1.00 1.00 H new ATOM 0 HG22 VAL A 140 8.108 -1.531 3.344 1.00 1.00 H new ATOM 0 HG23 VAL A 140 8.118 -1.291 5.107 1.00 1.00 H new ATOM 982 N GLU A 141 9.541 -0.014 2.586 1.00 1.00 N ATOM 983 CA GLU A 141 10.392 -0.274 1.438 1.00 1.00 C ATOM 984 C GLU A 141 10.093 -1.657 0.857 1.00 1.00 C ATOM 985 O GLU A 141 9.525 -2.510 1.537 1.00 1.00 O ATOM 986 CB GLU A 141 11.870 -0.145 1.813 1.00 1.00 C ATOM 987 CG GLU A 141 12.667 0.506 0.680 1.00 1.00 C ATOM 988 CD GLU A 141 13.485 1.691 1.197 1.00 1.00 C ATOM 989 OE1 GLU A 141 12.909 2.698 1.633 1.00 1.00 O ATOM 990 OE2 GLU A 141 14.765 1.540 1.133 1.00 1.00 O ATOM 0 H GLU A 141 9.642 -0.681 3.351 1.00 1.00 H new ATOM 0 HA GLU A 141 10.177 0.473 0.674 1.00 1.00 H new ATOM 0 HB2 GLU A 141 11.968 0.450 2.721 1.00 1.00 H new ATOM 0 HB3 GLU A 141 12.281 -1.130 2.032 1.00 1.00 H new ATOM 0 HG2 GLU A 141 13.332 -0.230 0.228 1.00 1.00 H new ATOM 0 HG3 GLU A 141 11.986 0.843 -0.102 1.00 1.00 H new ATOM 996 N SER A 142 10.487 -1.836 -0.395 1.00 1.00 N ATOM 997 CA SER A 142 10.268 -3.100 -1.076 1.00 1.00 C ATOM 998 C SER A 142 11.238 -4.157 -0.543 1.00 1.00 C ATOM 999 O SER A 142 12.337 -4.318 -1.071 1.00 1.00 O ATOM 1000 CB SER A 142 10.430 -2.946 -2.590 1.00 1.00 C ATOM 1001 OG SER A 142 11.739 -2.509 -2.945 1.00 1.00 O ATOM 0 H SER A 142 10.957 -1.126 -0.956 1.00 1.00 H new ATOM 0 HA SER A 142 9.246 -3.422 -0.878 1.00 1.00 H new ATOM 0 HB2 SER A 142 10.222 -3.899 -3.076 1.00 1.00 H new ATOM 0 HB3 SER A 142 9.696 -2.232 -2.962 1.00 1.00 H new ATOM 0 HG SER A 142 12.401 -2.980 -2.397 1.00 1.00 H new ATOM 1006 N GLY A 143 10.797 -4.849 0.497 1.00 1.00 N ATOM 1007 CA GLY A 143 11.613 -5.885 1.106 1.00 1.00 C ATOM 1008 C GLY A 143 11.843 -5.598 2.592 1.00 1.00 C ATOM 1009 O GLY A 143 12.350 -6.449 3.321 1.00 1.00 O ATOM 0 H GLY A 143 9.885 -4.712 0.933 1.00 1.00 H new ATOM 0 HA2 GLY A 143 11.125 -6.853 0.990 1.00 1.00 H new ATOM 0 HA3 GLY A 143 12.572 -5.948 0.591 1.00 1.00 H new ATOM 1013 N GLN A 144 11.458 -4.397 2.996 1.00 1.00 N ATOM 1014 CA GLN A 144 11.617 -3.987 4.381 1.00 1.00 C ATOM 1015 C GLN A 144 10.575 -4.679 5.262 1.00 1.00 C ATOM 1016 O GLN A 144 9.471 -4.976 4.807 1.00 1.00 O ATOM 1017 CB GLN A 144 11.526 -2.466 4.517 1.00 1.00 C ATOM 1018 CG GLN A 144 12.824 -1.887 5.084 1.00 1.00 C ATOM 1019 CD GLN A 144 12.535 -0.739 6.054 1.00 1.00 C ATOM 1020 OE1 GLN A 144 11.932 -0.914 7.100 1.00 1.00 O ATOM 1021 NE2 GLN A 144 12.998 0.440 5.650 1.00 1.00 N ATOM 0 H GLN A 144 11.036 -3.694 2.389 1.00 1.00 H new ATOM 0 HA GLN A 144 12.609 -4.290 4.717 1.00 1.00 H new ATOM 0 HB2 GLN A 144 11.321 -2.022 3.543 1.00 1.00 H new ATOM 0 HB3 GLN A 144 10.692 -2.205 5.169 1.00 1.00 H new ATOM 0 HG2 GLN A 144 13.382 -2.670 5.598 1.00 1.00 H new ATOM 0 HG3 GLN A 144 13.453 -1.529 4.269 1.00 1.00 H new ATOM 0 HE21 GLN A 144 13.495 0.516 4.762 1.00 1.00 H new ATOM 0 HE22 GLN A 144 12.857 1.269 6.228 1.00 1.00 H new ATOM 1028 N PRO A 145 10.973 -4.923 6.540 1.00 1.00 N ATOM 1029 CA PRO A 145 10.085 -5.574 7.488 1.00 1.00 C ATOM 1030 C PRO A 145 8.999 -4.612 7.973 1.00 1.00 C ATOM 1031 O PRO A 145 9.176 -3.396 7.929 1.00 1.00 O ATOM 1032 CB PRO A 145 10.993 -6.057 8.608 1.00 1.00 C ATOM 1033 CG PRO A 145 12.279 -5.258 8.476 1.00 1.00 C ATOM 1034 CD PRO A 145 12.272 -4.585 7.112 1.00 1.00 C ATOM 0 HA PRO A 145 9.538 -6.408 7.048 1.00 1.00 H new ATOM 0 HB2 PRO A 145 10.531 -5.896 9.582 1.00 1.00 H new ATOM 0 HB3 PRO A 145 11.187 -7.126 8.520 1.00 1.00 H new ATOM 0 HG2 PRO A 145 12.349 -4.513 9.269 1.00 1.00 H new ATOM 0 HG3 PRO A 145 13.146 -5.911 8.575 1.00 1.00 H new ATOM 0 HD2 PRO A 145 12.397 -3.506 7.202 1.00 1.00 H new ATOM 0 HD3 PRO A 145 13.087 -4.949 6.486 1.00 1.00 H new ATOM 1039 N VAL A 146 7.897 -5.194 8.425 1.00 1.00 N ATOM 1040 CA VAL A 146 6.782 -4.403 8.917 1.00 1.00 C ATOM 1041 C VAL A 146 6.212 -5.062 10.175 1.00 1.00 C ATOM 1042 O VAL A 146 6.487 -6.229 10.449 1.00 1.00 O ATOM 1043 CB VAL A 146 5.739 -4.224 7.812 1.00 1.00 C ATOM 1044 CG1 VAL A 146 6.407 -3.882 6.479 1.00 1.00 C ATOM 1045 CG2 VAL A 146 4.860 -5.469 7.681 1.00 1.00 C ATOM 0 H VAL A 146 7.753 -6.203 8.461 1.00 1.00 H new ATOM 0 HA VAL A 146 7.116 -3.403 9.195 1.00 1.00 H new ATOM 0 HB VAL A 146 5.097 -3.388 8.089 1.00 1.00 H new ATOM 0 HG11 VAL A 146 5.644 -3.760 5.710 1.00 1.00 H new ATOM 0 HG12 VAL A 146 6.970 -2.954 6.582 1.00 1.00 H new ATOM 0 HG13 VAL A 146 7.084 -4.688 6.194 1.00 1.00 H new ATOM 0 HG21 VAL A 146 4.127 -5.315 6.889 1.00 1.00 H new ATOM 0 HG22 VAL A 146 5.483 -6.330 7.438 1.00 1.00 H new ATOM 0 HG23 VAL A 146 4.343 -5.650 8.623 1.00 1.00 H new ATOM 1055 N GLU A 147 5.429 -4.284 10.909 1.00 1.00 N ATOM 1056 CA GLU A 147 4.818 -4.777 12.131 1.00 1.00 C ATOM 1057 C GLU A 147 3.370 -4.297 12.232 1.00 1.00 C ATOM 1058 O GLU A 147 2.970 -3.366 11.535 1.00 1.00 O ATOM 1059 CB GLU A 147 5.625 -4.348 13.358 1.00 1.00 C ATOM 1060 CG GLU A 147 5.946 -2.854 13.309 1.00 1.00 C ATOM 1061 CD GLU A 147 7.288 -2.558 13.983 1.00 1.00 C ATOM 1062 OE1 GLU A 147 8.239 -3.341 13.839 1.00 1.00 O ATOM 1063 OE2 GLU A 147 7.323 -1.470 14.674 1.00 1.00 O ATOM 0 H GLU A 147 5.204 -3.316 10.680 1.00 1.00 H new ATOM 0 HA GLU A 147 4.817 -5.867 12.100 1.00 1.00 H new ATOM 0 HB2 GLU A 147 5.063 -4.573 14.264 1.00 1.00 H new ATOM 0 HB3 GLU A 147 6.551 -4.921 13.407 1.00 1.00 H new ATOM 0 HG2 GLU A 147 5.974 -2.518 12.272 1.00 1.00 H new ATOM 0 HG3 GLU A 147 5.154 -2.292 13.805 1.00 1.00 H new ATOM 1069 N PHE A 148 2.621 -4.953 13.107 1.00 1.00 N ATOM 1070 CA PHE A 148 1.225 -4.604 13.308 1.00 1.00 C ATOM 1071 C PHE A 148 1.088 -3.177 13.840 1.00 1.00 C ATOM 1072 O PHE A 148 1.812 -2.777 14.751 1.00 1.00 O ATOM 1073 CB PHE A 148 0.665 -5.579 14.346 1.00 1.00 C ATOM 1074 CG PHE A 148 -0.774 -5.280 14.768 1.00 1.00 C ATOM 1075 CD1 PHE A 148 -1.027 -4.314 15.690 1.00 1.00 C ATOM 1076 CD2 PHE A 148 -1.803 -5.981 14.219 1.00 1.00 C ATOM 1077 CE1 PHE A 148 -2.363 -4.036 16.082 1.00 1.00 C ATOM 1078 CE2 PHE A 148 -3.140 -5.704 14.611 1.00 1.00 C ATOM 1079 CZ PHE A 148 -3.392 -4.736 15.534 1.00 1.00 C ATOM 0 H PHE A 148 2.955 -5.724 13.685 1.00 1.00 H new ATOM 0 HA PHE A 148 0.687 -4.664 12.362 1.00 1.00 H new ATOM 0 HB2 PHE A 148 0.711 -6.590 13.942 1.00 1.00 H new ATOM 0 HB3 PHE A 148 1.303 -5.559 15.229 1.00 1.00 H new ATOM 0 HD1 PHE A 148 -0.210 -3.757 16.125 1.00 1.00 H new ATOM 0 HD2 PHE A 148 -1.603 -6.748 13.485 1.00 1.00 H new ATOM 0 HE1 PHE A 148 -2.562 -3.269 16.815 1.00 1.00 H new ATOM 0 HE2 PHE A 148 -3.957 -6.262 14.177 1.00 1.00 H new ATOM 0 HZ PHE A 148 -4.408 -4.524 15.831 1.00 1.00 H new ATOM 1088 N ASP A 149 0.155 -2.445 13.249 1.00 1.00 N ATOM 1089 CA ASP A 149 -0.087 -1.071 13.652 1.00 1.00 C ATOM 1090 C ASP A 149 0.939 -0.158 12.977 1.00 1.00 C ATOM 1091 O ASP A 149 0.882 1.061 13.125 1.00 1.00 O ATOM 1092 CB ASP A 149 0.059 -0.907 15.166 1.00 1.00 C ATOM 1093 CG ASP A 149 -0.692 0.284 15.763 1.00 1.00 C ATOM 1094 OD1 ASP A 149 -1.829 0.586 15.369 1.00 1.00 O ATOM 1095 OD2 ASP A 149 -0.055 0.924 16.685 1.00 1.00 O ATOM 0 H ASP A 149 -0.443 -2.779 12.493 1.00 1.00 H new ATOM 0 HA ASP A 149 -1.103 -0.807 13.357 1.00 1.00 H new ATOM 0 HB2 ASP A 149 -0.292 -1.818 15.650 1.00 1.00 H new ATOM 0 HB3 ASP A 149 1.118 -0.806 15.405 1.00 1.00 H new ATOM 1100 N GLU A 150 1.852 -0.784 12.250 1.00 1.00 N ATOM 1101 CA GLU A 150 2.889 -0.043 11.550 1.00 1.00 C ATOM 1102 C GLU A 150 2.387 0.403 10.176 1.00 1.00 C ATOM 1103 O GLU A 150 1.701 -0.351 9.487 1.00 1.00 O ATOM 1104 CB GLU A 150 4.167 -0.876 11.425 1.00 1.00 C ATOM 1105 CG GLU A 150 5.410 0.004 11.573 1.00 1.00 C ATOM 1106 CD GLU A 150 6.008 0.343 10.206 1.00 1.00 C ATOM 1107 OE1 GLU A 150 5.690 -0.321 9.208 1.00 1.00 O ATOM 1108 OE2 GLU A 150 6.830 1.337 10.202 1.00 1.00 O ATOM 0 H GLU A 150 1.896 -1.796 12.130 1.00 1.00 H new ATOM 0 HA GLU A 150 3.130 0.847 12.132 1.00 1.00 H new ATOM 0 HB2 GLU A 150 4.175 -1.654 12.188 1.00 1.00 H new ATOM 0 HB3 GLU A 150 4.185 -1.378 10.458 1.00 1.00 H new ATOM 0 HG2 GLU A 150 5.149 0.923 12.098 1.00 1.00 H new ATOM 0 HG3 GLU A 150 6.154 -0.510 12.182 1.00 1.00 H new ATOM 1114 N PRO A 151 2.759 1.657 9.807 1.00 1.00 N ATOM 1115 CA PRO A 151 2.355 2.213 8.527 1.00 1.00 C ATOM 1116 C PRO A 151 3.165 1.600 7.383 1.00 1.00 C ATOM 1117 O PRO A 151 4.257 1.078 7.601 1.00 1.00 O ATOM 1118 CB PRO A 151 2.564 3.713 8.666 1.00 1.00 C ATOM 1119 CG PRO A 151 3.509 3.895 9.842 1.00 1.00 C ATOM 1120 CD PRO A 151 3.573 2.578 10.598 1.00 1.00 C ATOM 0 HA PRO A 151 1.317 1.990 8.280 1.00 1.00 H new ATOM 0 HB2 PRO A 151 2.989 4.134 7.755 1.00 1.00 H new ATOM 0 HB3 PRO A 151 1.618 4.224 8.843 1.00 1.00 H new ATOM 0 HG2 PRO A 151 4.501 4.183 9.493 1.00 1.00 H new ATOM 0 HG3 PRO A 151 3.156 4.693 10.495 1.00 1.00 H new ATOM 0 HD2 PRO A 151 4.599 2.222 10.688 1.00 1.00 H new ATOM 0 HD3 PRO A 151 3.182 2.683 11.610 1.00 1.00 H new ATOM 1125 N LEU A 152 2.599 1.684 6.188 1.00 1.00 N ATOM 1126 CA LEU A 152 3.254 1.144 5.010 1.00 1.00 C ATOM 1127 C LEU A 152 3.315 2.222 3.927 1.00 1.00 C ATOM 1128 O LEU A 152 4.350 2.859 3.737 1.00 1.00 O ATOM 1129 CB LEU A 152 2.564 -0.145 4.557 1.00 1.00 C ATOM 1130 CG LEU A 152 2.442 -1.247 5.611 1.00 1.00 C ATOM 1131 CD1 LEU A 152 1.485 -2.346 5.146 1.00 1.00 C ATOM 1132 CD2 LEU A 152 3.817 -1.803 5.985 1.00 1.00 C ATOM 0 H LEU A 152 1.693 2.118 6.011 1.00 1.00 H new ATOM 0 HA LEU A 152 4.282 0.864 5.240 1.00 1.00 H new ATOM 0 HB2 LEU A 152 1.563 0.106 4.205 1.00 1.00 H new ATOM 0 HB3 LEU A 152 3.111 -0.545 3.703 1.00 1.00 H new ATOM 0 HG LEU A 152 2.016 -0.811 6.514 1.00 1.00 H new ATOM 0 HD11 LEU A 152 1.416 -3.117 5.913 1.00 1.00 H new ATOM 0 HD12 LEU A 152 0.498 -1.919 4.971 1.00 1.00 H new ATOM 0 HD13 LEU A 152 1.858 -2.786 4.222 1.00 1.00 H new ATOM 0 HD21 LEU A 152 3.701 -2.585 6.736 1.00 1.00 H new ATOM 0 HD22 LEU A 152 4.295 -2.219 5.098 1.00 1.00 H new ATOM 0 HD23 LEU A 152 4.436 -1.002 6.388 1.00 1.00 H new ATOM 1143 N VAL A 153 2.193 2.395 3.243 1.00 1.00 N ATOM 1144 CA VAL A 153 2.106 3.384 2.184 1.00 1.00 C ATOM 1145 C VAL A 153 0.933 4.325 2.466 1.00 1.00 C ATOM 1146 O VAL A 153 -0.123 3.887 2.920 1.00 1.00 O ATOM 1147 CB VAL A 153 2.002 2.689 0.824 1.00 1.00 C ATOM 1148 CG1 VAL A 153 2.259 3.675 -0.317 1.00 1.00 C ATOM 1149 CG2 VAL A 153 2.957 1.496 0.745 1.00 1.00 C ATOM 0 H VAL A 153 1.336 1.866 3.403 1.00 1.00 H new ATOM 0 HA VAL A 153 3.011 3.992 2.154 1.00 1.00 H new ATOM 0 HB VAL A 153 0.985 2.312 0.717 1.00 1.00 H new ATOM 0 HG11 VAL A 153 2.179 3.155 -1.272 1.00 1.00 H new ATOM 0 HG12 VAL A 153 1.522 4.477 -0.278 1.00 1.00 H new ATOM 0 HG13 VAL A 153 3.259 4.096 -0.216 1.00 1.00 H new ATOM 0 HG21 VAL A 153 2.864 1.019 -0.231 1.00 1.00 H new ATOM 0 HG22 VAL A 153 3.982 1.840 0.884 1.00 1.00 H new ATOM 0 HG23 VAL A 153 2.707 0.777 1.525 1.00 1.00 H new ATOM 1159 N VAL A 154 1.157 5.600 2.184 1.00 1.00 N ATOM 1160 CA VAL A 154 0.131 6.606 2.401 1.00 1.00 C ATOM 1161 C VAL A 154 -0.535 6.946 1.067 1.00 1.00 C ATOM 1162 O VAL A 154 0.148 7.213 0.078 1.00 1.00 O ATOM 1163 CB VAL A 154 0.736 7.828 3.096 1.00 1.00 C ATOM 1164 CG1 VAL A 154 -0.349 8.843 3.464 1.00 1.00 C ATOM 1165 CG2 VAL A 154 1.541 7.415 4.329 1.00 1.00 C ATOM 0 H VAL A 154 2.034 5.960 1.807 1.00 1.00 H new ATOM 0 HA VAL A 154 -0.646 6.223 3.063 1.00 1.00 H new ATOM 0 HB VAL A 154 1.419 8.307 2.395 1.00 1.00 H new ATOM 0 HG11 VAL A 154 0.108 9.701 3.956 1.00 1.00 H new ATOM 0 HG12 VAL A 154 -0.860 9.173 2.560 1.00 1.00 H new ATOM 0 HG13 VAL A 154 -1.068 8.378 4.138 1.00 1.00 H new ATOM 0 HG21 VAL A 154 1.960 8.302 4.804 1.00 1.00 H new ATOM 0 HG22 VAL A 154 0.888 6.900 5.034 1.00 1.00 H new ATOM 0 HG23 VAL A 154 2.349 6.748 4.029 1.00 1.00 H new ATOM 1175 N ILE A 155 -1.859 6.925 1.081 1.00 1.00 N ATOM 1176 CA ILE A 155 -2.625 7.228 -0.116 1.00 1.00 C ATOM 1177 C ILE A 155 -3.544 8.419 0.159 1.00 1.00 C ATOM 1178 O ILE A 155 -3.780 8.772 1.314 1.00 1.00 O ATOM 1179 CB ILE A 155 -3.364 5.982 -0.609 1.00 1.00 C ATOM 1180 CG1 ILE A 155 -2.404 5.011 -1.300 1.00 1.00 C ATOM 1181 CG2 ILE A 155 -4.542 6.363 -1.510 1.00 1.00 C ATOM 1182 CD1 ILE A 155 -1.815 4.017 -0.298 1.00 1.00 C ATOM 0 H ILE A 155 -2.421 6.703 1.902 1.00 1.00 H new ATOM 0 HA ILE A 155 -1.960 7.519 -0.929 1.00 1.00 H new ATOM 0 HB ILE A 155 -3.776 5.465 0.258 1.00 1.00 H new ATOM 0 HG12 ILE A 155 -2.931 4.471 -2.087 1.00 1.00 H new ATOM 0 HG13 ILE A 155 -1.600 5.569 -1.780 1.00 1.00 H new ATOM 0 HG21 ILE A 155 -5.050 5.459 -1.847 1.00 1.00 H new ATOM 0 HG22 ILE A 155 -5.241 6.985 -0.951 1.00 1.00 H new ATOM 0 HG23 ILE A 155 -4.175 6.916 -2.375 1.00 1.00 H new ATOM 0 HD11 ILE A 155 -1.136 3.338 -0.815 1.00 1.00 H new ATOM 0 HD12 ILE A 155 -1.268 4.559 0.474 1.00 1.00 H new ATOM 0 HD13 ILE A 155 -2.620 3.444 0.162 1.00 1.00 H new ATOM 1193 N GLU A 156 -4.040 9.006 -0.920 1.00 1.00 N ATOM 1194 CA GLU A 156 -4.929 10.150 -0.810 1.00 1.00 C ATOM 1195 C GLU A 156 -6.354 9.756 -1.202 1.00 1.00 C ATOM 1196 O GLU A 156 -6.996 8.968 -0.511 1.00 1.00 O ATOM 1197 CB GLU A 156 -4.428 11.318 -1.663 1.00 1.00 C ATOM 1198 CG GLU A 156 -5.048 12.639 -1.202 1.00 1.00 C ATOM 1199 CD GLU A 156 -4.089 13.807 -1.441 1.00 1.00 C ATOM 1200 OE1 GLU A 156 -3.667 14.040 -2.583 1.00 1.00 O ATOM 1201 OE2 GLU A 156 -3.784 14.486 -0.386 1.00 1.00 O ATOM 0 H GLU A 156 -3.843 8.710 -1.876 1.00 1.00 H new ATOM 0 HA GLU A 156 -4.938 10.479 0.229 1.00 1.00 H new ATOM 0 HB2 GLU A 156 -3.342 11.380 -1.599 1.00 1.00 H new ATOM 0 HB3 GLU A 156 -4.676 11.141 -2.710 1.00 1.00 H new ATOM 0 HG2 GLU A 156 -5.981 12.814 -1.738 1.00 1.00 H new ATOM 0 HG3 GLU A 156 -5.296 12.578 -0.142 1.00 1.00 H new