USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 533 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 91 ASN : amide:sc= -2.2! C(o=-4.6!,f=-3.7!) USER MOD Set 1.2: A 107 CYS SG : rot 170:sc= -2.42! USER MOD Set 2.1: A 86 SER OG : rot -160:sc= -1.06 USER MOD Set 2.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -36:sc= -1.58 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -4.47! C(o=-4.5!,f=-7.1!) USER MOD Single : A 84 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.11) USER MOD Single : A 89 CYS SG : rot 112:sc= -1.91! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.335 USER MOD Single : A 92 GLN : amide:sc=-0.00887 K(o=-0.0089,f=-0.91) USER MOD Single : A 97 LYS NZ :NH3+ -165:sc= -1.15 (180deg=-1.66!) USER MOD Single : A 101 TYR OH : rot -30:sc= -0.0076 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.133 X(o=-0.13,f=0.017) USER MOD Single : A 118 MET CE :methyl 160:sc= -2.24 (180deg=-3.04!) USER MOD Single : A 133 ASN : amide:sc=-0.00646 X(o=-0.0065,f=0) USER MOD Single : A 134 THR OG1 : rot -64:sc= 1.15 USER MOD Single : A 137 GLN : amide:sc= -3.86! C(o=-3.9!,f=-4.9!) USER MOD Single : A 139 LYS NZ :NH3+ -166:sc= 0.231 (180deg=0.173) USER MOD Single : A 141 MET CE :methyl -145:sc= -0.543 (180deg=-3.33!) USER MOD Single : A 142 HIS : no HD1:sc= -2.3! K(o=-2.3!,f=-0.73) USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 78 -1.737 13.440 8.900 1.00 0.00 N ATOM 110 CA THR A 78 -2.836 12.811 8.179 1.00 0.00 C ATOM 111 C THR A 78 -3.077 11.390 8.676 1.00 0.00 C ATOM 112 O THR A 78 -2.152 10.713 9.125 1.00 0.00 O ATOM 113 CB THR A 78 -2.566 12.774 6.663 1.00 0.00 C ATOM 114 OG1 THR A 78 -1.171 12.561 6.419 1.00 0.00 O ATOM 115 CG2 THR A 78 -3.010 14.070 6.003 1.00 0.00 C ATOM 0 HA THR A 78 -3.724 13.415 8.367 1.00 0.00 H new ATOM 0 HB THR A 78 -3.139 11.952 6.234 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.645 13.026 7.103 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.809 14.021 4.933 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.078 14.214 6.166 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.461 14.906 6.437 1.00 0.00 H new ATOM 123 N LYS A 79 -4.326 10.943 8.592 1.00 0.00 N ATOM 124 CA LYS A 79 -4.689 9.601 9.031 1.00 0.00 C ATOM 125 C LYS A 79 -5.486 8.873 7.953 1.00 0.00 C ATOM 126 O LYS A 79 -6.406 9.437 7.360 1.00 0.00 O ATOM 127 CB LYS A 79 -5.504 9.669 10.325 1.00 0.00 C ATOM 128 CG LYS A 79 -5.533 8.359 11.095 1.00 0.00 C ATOM 129 CD LYS A 79 -4.382 8.267 12.082 1.00 0.00 C ATOM 130 CE LYS A 79 -4.559 7.097 13.037 1.00 0.00 C ATOM 131 NZ LYS A 79 -5.362 7.473 14.233 1.00 0.00 N ATOM 0 H LYS A 79 -5.104 11.491 8.224 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.770 9.045 9.216 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.090 10.448 10.965 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.526 9.963 10.086 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.479 8.271 11.629 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.482 7.524 10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.444 8.156 11.539 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.314 9.195 12.650 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.048 6.274 12.516 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.581 6.737 13.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.460 6.648 14.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.883 8.241 14.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.305 7.792 13.932 1.00 0.00 H new ATOM 145 N LEU A 80 -5.127 7.618 7.706 1.00 0.00 N ATOM 146 CA LEU A 80 -5.810 6.812 6.700 1.00 0.00 C ATOM 147 C LEU A 80 -6.279 5.486 7.291 1.00 0.00 C ATOM 148 O LEU A 80 -5.547 4.833 8.036 1.00 0.00 O ATOM 149 CB LEU A 80 -4.884 6.554 5.510 1.00 0.00 C ATOM 150 CG LEU A 80 -4.018 7.733 5.066 1.00 0.00 C ATOM 151 CD1 LEU A 80 -2.935 7.268 4.105 1.00 0.00 C ATOM 152 CD2 LEU A 80 -4.876 8.813 4.423 1.00 0.00 C ATOM 0 H LEU A 80 -4.368 7.137 8.188 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.684 7.366 6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.227 5.721 5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.493 6.237 4.663 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.536 8.157 5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.329 8.121 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.302 6.531 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.397 6.818 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.243 9.644 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.387 8.402 3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.614 9.168 5.142 1.00 0.00 H new ATOM 164 N HIS A 81 -7.502 5.092 6.952 1.00 0.00 N ATOM 165 CA HIS A 81 -8.068 3.842 7.446 1.00 0.00 C ATOM 166 C HIS A 81 -8.039 2.767 6.364 1.00 0.00 C ATOM 167 O HIS A 81 -8.235 3.054 5.184 1.00 0.00 O ATOM 168 CB HIS A 81 -9.503 4.061 7.926 1.00 0.00 C ATOM 169 CG HIS A 81 -10.177 2.807 8.392 1.00 0.00 C ATOM 170 ND1 HIS A 81 -10.276 1.673 7.615 1.00 0.00 N ATOM 171 CD2 HIS A 81 -10.785 2.513 9.565 1.00 0.00 C ATOM 172 CE1 HIS A 81 -10.918 0.735 8.289 1.00 0.00 C ATOM 173 NE2 HIS A 81 -11.238 1.220 9.475 1.00 0.00 N ATOM 0 H HIS A 81 -8.121 5.621 6.337 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.460 3.504 8.285 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.498 4.785 8.741 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.086 4.497 7.115 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.894 3.172 10.413 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.143 -0.259 7.931 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -11.740 0.716 10.206 1.00 0.00 H new ATOM 182 N VAL A 82 -7.792 1.527 6.775 1.00 0.00 N ATOM 183 CA VAL A 82 -7.737 0.408 5.841 1.00 0.00 C ATOM 184 C VAL A 82 -8.620 -0.743 6.310 1.00 0.00 C ATOM 185 O VAL A 82 -8.632 -1.089 7.490 1.00 0.00 O ATOM 186 CB VAL A 82 -6.296 -0.105 5.663 1.00 0.00 C ATOM 187 CG1 VAL A 82 -6.187 -0.971 4.418 1.00 0.00 C ATOM 188 CG2 VAL A 82 -5.320 1.061 5.599 1.00 0.00 C ATOM 0 H VAL A 82 -7.627 1.272 7.749 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.104 0.777 4.883 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.038 -0.719 6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.162 -1.324 4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.857 -1.826 4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.464 -0.385 3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.306 0.681 5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.574 1.702 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.379 1.636 6.523 1.00 0.00 H new ATOM 198 N GLY A 83 -9.360 -1.333 5.376 1.00 0.00 N ATOM 199 CA GLY A 83 -10.236 -2.439 5.712 1.00 0.00 C ATOM 200 C GLY A 83 -9.934 -3.685 4.903 1.00 0.00 C ATOM 201 O GLY A 83 -9.266 -3.617 3.873 1.00 0.00 O ATOM 0 H GLY A 83 -9.368 -1.064 4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.138 -2.666 6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.271 -2.142 5.544 1.00 0.00 H new ATOM 205 N ASN A 84 -10.428 -4.827 5.372 1.00 0.00 N ATOM 206 CA ASN A 84 -10.205 -6.094 4.685 1.00 0.00 C ATOM 207 C ASN A 84 -8.717 -6.429 4.631 1.00 0.00 C ATOM 208 O ASN A 84 -8.168 -6.689 3.560 1.00 0.00 O ATOM 209 CB ASN A 84 -10.778 -6.038 3.268 1.00 0.00 C ATOM 210 CG ASN A 84 -11.234 -7.398 2.775 1.00 0.00 C ATOM 211 OD1 ASN A 84 -12.253 -7.924 3.222 1.00 0.00 O ATOM 212 ND2 ASN A 84 -10.478 -7.974 1.847 1.00 0.00 N ATOM 0 H ASN A 84 -10.984 -4.901 6.224 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.716 -6.877 5.245 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.620 -5.346 3.246 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.023 -5.643 2.589 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.734 -8.889 1.476 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.641 -7.501 1.505 1.00 0.00 H new ATOM 219 N ILE A 85 -8.072 -6.421 5.793 1.00 0.00 N ATOM 220 CA ILE A 85 -6.649 -6.726 5.877 1.00 0.00 C ATOM 221 C ILE A 85 -6.412 -8.231 5.935 1.00 0.00 C ATOM 222 O ILE A 85 -7.305 -8.998 6.296 1.00 0.00 O ATOM 223 CB ILE A 85 -6.005 -6.068 7.112 1.00 0.00 C ATOM 224 CG1 ILE A 85 -6.569 -4.661 7.320 1.00 0.00 C ATOM 225 CG2 ILE A 85 -4.492 -6.022 6.959 1.00 0.00 C ATOM 226 CD1 ILE A 85 -6.209 -3.697 6.211 1.00 0.00 C ATOM 0 H ILE A 85 -8.512 -6.207 6.688 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.186 -6.322 4.977 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.243 -6.667 7.991 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.654 -4.721 7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.201 -4.267 8.267 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.051 -5.554 7.839 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.106 -7.036 6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.233 -5.443 6.073 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.642 -2.719 6.424 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.125 -3.607 6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.601 -4.069 5.264 1.00 0.00 H new ATOM 238 N SER A 86 -5.201 -8.648 5.579 1.00 0.00 N ATOM 239 CA SER A 86 -4.846 -10.062 5.589 1.00 0.00 C ATOM 240 C SER A 86 -4.361 -10.492 6.970 1.00 0.00 C ATOM 241 O SER A 86 -3.708 -9.736 7.690 1.00 0.00 O ATOM 242 CB SER A 86 -3.763 -10.345 4.545 1.00 0.00 C ATOM 243 OG SER A 86 -3.891 -11.654 4.019 1.00 0.00 O ATOM 0 H SER A 86 -4.449 -8.027 5.280 1.00 0.00 H new ATOM 0 HA SER A 86 -5.739 -10.636 5.342 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.833 -9.617 3.737 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.778 -10.226 4.997 1.00 0.00 H new ATOM 0 HG SER A 86 -3.042 -11.928 3.613 1.00 0.00 H new ATOM 249 N PRO A 87 -4.689 -11.735 7.351 1.00 0.00 N ATOM 250 CA PRO A 87 -4.297 -12.295 8.648 1.00 0.00 C ATOM 251 C PRO A 87 -2.798 -12.557 8.738 1.00 0.00 C ATOM 252 O PRO A 87 -2.276 -12.880 9.805 1.00 0.00 O ATOM 253 CB PRO A 87 -5.075 -13.611 8.715 1.00 0.00 C ATOM 254 CG PRO A 87 -5.310 -13.986 7.293 1.00 0.00 C ATOM 255 CD PRO A 87 -5.466 -12.691 6.544 1.00 0.00 C ATOM 0 HA PRO A 87 -4.515 -11.612 9.469 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.507 -14.380 9.238 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.015 -13.488 9.252 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.476 -14.566 6.899 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.203 -14.604 7.195 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -5.080 -12.766 5.527 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.512 -12.395 6.467 1.00 0.00 H new ATOM 263 N THR A 88 -2.108 -12.415 7.610 1.00 0.00 N ATOM 264 CA THR A 88 -0.669 -12.637 7.561 1.00 0.00 C ATOM 265 C THR A 88 0.081 -11.332 7.323 1.00 0.00 C ATOM 266 O THR A 88 1.312 -11.305 7.313 1.00 0.00 O ATOM 267 CB THR A 88 -0.292 -13.641 6.455 1.00 0.00 C ATOM 268 OG1 THR A 88 -0.684 -13.131 5.176 1.00 0.00 O ATOM 269 CG2 THR A 88 -0.960 -14.987 6.696 1.00 0.00 C ATOM 0 H THR A 88 -2.524 -12.147 6.718 1.00 0.00 H new ATOM 0 HA THR A 88 -0.380 -13.048 8.528 1.00 0.00 H new ATOM 0 HB THR A 88 0.789 -13.780 6.474 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.439 -13.774 4.478 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.679 -15.680 5.903 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.637 -15.386 7.657 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.043 -14.860 6.701 1.00 0.00 H new ATOM 277 N CYS A 89 -0.668 -10.251 7.133 1.00 0.00 N ATOM 278 CA CYS A 89 -0.072 -8.941 6.895 1.00 0.00 C ATOM 279 C CYS A 89 0.631 -8.427 8.147 1.00 0.00 C ATOM 280 O CYS A 89 0.047 -8.395 9.231 1.00 0.00 O ATOM 281 CB CYS A 89 -1.144 -7.944 6.452 1.00 0.00 C ATOM 282 SG CYS A 89 -0.637 -6.213 6.572 1.00 0.00 S ATOM 0 H CYS A 89 -1.688 -10.256 7.139 1.00 0.00 H new ATOM 0 HA CYS A 89 0.669 -9.045 6.102 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -1.421 -8.160 5.420 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -2.037 -8.093 7.060 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.518 -5.712 5.378 1.00 0.00 H new ATOM 288 N THR A 90 1.889 -8.028 7.991 1.00 0.00 N ATOM 289 CA THR A 90 2.673 -7.519 9.109 1.00 0.00 C ATOM 290 C THR A 90 2.723 -5.995 9.097 1.00 0.00 C ATOM 291 O THR A 90 2.719 -5.373 8.036 1.00 0.00 O ATOM 292 CB THR A 90 4.112 -8.068 9.082 1.00 0.00 C ATOM 293 OG1 THR A 90 4.982 -7.201 9.818 1.00 0.00 O ATOM 294 CG2 THR A 90 4.614 -8.203 7.652 1.00 0.00 C ATOM 0 H THR A 90 2.387 -8.048 7.101 1.00 0.00 H new ATOM 0 HA THR A 90 2.180 -7.857 10.020 1.00 0.00 H new ATOM 0 HB THR A 90 4.108 -9.055 9.544 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.894 -7.558 9.797 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.632 -8.592 7.659 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.968 -8.887 7.103 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.603 -7.226 7.169 1.00 0.00 H new ATOM 302 N ASN A 91 2.771 -5.400 10.285 1.00 0.00 N ATOM 303 CA ASN A 91 2.822 -3.948 10.410 1.00 0.00 C ATOM 304 C ASN A 91 3.939 -3.366 9.549 1.00 0.00 C ATOM 305 O ASN A 91 3.883 -2.205 9.146 1.00 0.00 O ATOM 306 CB ASN A 91 3.029 -3.549 11.873 1.00 0.00 C ATOM 307 CG ASN A 91 2.366 -2.227 12.210 1.00 0.00 C ATOM 308 OD1 ASN A 91 2.069 -1.948 13.372 1.00 0.00 O ATOM 309 ND2 ASN A 91 2.131 -1.406 11.193 1.00 0.00 N ATOM 0 H ASN A 91 2.776 -5.901 11.174 1.00 0.00 H new ATOM 0 HA ASN A 91 1.872 -3.544 10.061 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.628 -4.329 12.520 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.097 -3.480 12.081 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.687 -0.503 11.359 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.394 -1.679 10.246 1.00 0.00 H new ATOM 316 N GLN A 92 4.951 -4.182 9.272 1.00 0.00 N ATOM 317 CA GLN A 92 6.081 -3.748 8.460 1.00 0.00 C ATOM 318 C GLN A 92 5.690 -3.658 6.988 1.00 0.00 C ATOM 319 O GLN A 92 6.185 -2.800 6.257 1.00 0.00 O ATOM 320 CB GLN A 92 7.257 -4.711 8.629 1.00 0.00 C ATOM 321 CG GLN A 92 8.155 -4.373 9.808 1.00 0.00 C ATOM 322 CD GLN A 92 9.535 -4.989 9.686 1.00 0.00 C ATOM 323 OE1 GLN A 92 9.771 -5.850 8.838 1.00 0.00 O ATOM 324 NE2 GLN A 92 10.456 -4.551 10.536 1.00 0.00 N ATOM 0 H GLN A 92 5.011 -5.147 9.598 1.00 0.00 H new ATOM 0 HA GLN A 92 6.381 -2.756 8.799 1.00 0.00 H new ATOM 0 HB2 GLN A 92 6.872 -5.723 8.754 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.853 -4.708 7.716 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.250 -3.290 9.888 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.686 -4.721 10.728 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.217 -3.836 11.223 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.403 -4.930 10.502 1.00 0.00 H new ATOM 333 N GLU A 93 4.800 -4.548 6.561 1.00 0.00 N ATOM 334 CA GLU A 93 4.345 -4.569 5.176 1.00 0.00 C ATOM 335 C GLU A 93 3.445 -3.372 4.882 1.00 0.00 C ATOM 336 O GLU A 93 3.743 -2.556 4.008 1.00 0.00 O ATOM 337 CB GLU A 93 3.595 -5.869 4.881 1.00 0.00 C ATOM 338 CG GLU A 93 4.488 -6.982 4.360 1.00 0.00 C ATOM 339 CD GLU A 93 3.756 -7.932 3.432 1.00 0.00 C ATOM 340 OE1 GLU A 93 2.763 -7.503 2.808 1.00 0.00 O ATOM 341 OE2 GLU A 93 4.174 -9.104 3.331 1.00 0.00 O ATOM 0 H GLU A 93 4.380 -5.264 7.154 1.00 0.00 H new ATOM 0 HA GLU A 93 5.222 -4.511 4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.100 -6.208 5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.813 -5.669 4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.336 -6.545 3.832 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.892 -7.543 5.203 1.00 0.00 H new ATOM 348 N LEU A 94 2.342 -3.274 5.616 1.00 0.00 N ATOM 349 CA LEU A 94 1.397 -2.178 5.434 1.00 0.00 C ATOM 350 C LEU A 94 2.121 -0.836 5.389 1.00 0.00 C ATOM 351 O LEU A 94 1.972 -0.071 4.436 1.00 0.00 O ATOM 352 CB LEU A 94 0.365 -2.175 6.563 1.00 0.00 C ATOM 353 CG LEU A 94 -0.914 -1.379 6.302 1.00 0.00 C ATOM 354 CD1 LEU A 94 -1.623 -1.900 5.062 1.00 0.00 C ATOM 355 CD2 LEU A 94 -1.836 -1.440 7.511 1.00 0.00 C ATOM 0 H LEU A 94 2.080 -3.940 6.343 1.00 0.00 H new ATOM 0 HA LEU A 94 0.886 -2.327 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.089 -3.207 6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.839 -1.778 7.461 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.642 -0.338 6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.531 -1.321 4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.964 -1.804 4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.883 -2.949 5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.741 -0.868 7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.101 -2.478 7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.328 -1.018 8.378 1.00 0.00 H new ATOM 367 N ARG A 95 2.908 -0.559 6.424 1.00 0.00 N ATOM 368 CA ARG A 95 3.656 0.690 6.502 1.00 0.00 C ATOM 369 C ARG A 95 4.502 0.896 5.248 1.00 0.00 C ATOM 370 O ARG A 95 4.302 1.856 4.504 1.00 0.00 O ATOM 371 CB ARG A 95 4.553 0.695 7.741 1.00 0.00 C ATOM 372 CG ARG A 95 5.496 1.886 7.806 1.00 0.00 C ATOM 373 CD ARG A 95 6.476 1.759 8.962 1.00 0.00 C ATOM 374 NE ARG A 95 7.442 2.853 8.983 1.00 0.00 N ATOM 375 CZ ARG A 95 7.138 4.095 9.342 1.00 0.00 C ATOM 376 NH1 ARG A 95 5.901 4.399 9.709 1.00 0.00 N ATOM 377 NH2 ARG A 95 8.073 5.037 9.336 1.00 0.00 N ATOM 0 H ARG A 95 3.044 -1.183 7.220 1.00 0.00 H new ATOM 0 HA ARG A 95 2.941 1.509 6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 95 3.926 0.690 8.633 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.140 -0.223 7.758 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.046 1.967 6.869 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.918 2.803 7.917 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.926 1.743 9.903 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.005 0.809 8.886 1.00 0.00 H new ATOM 0 HE ARG A 95 8.403 2.653 8.707 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.179 3.678 9.716 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.671 5.354 9.984 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.026 4.807 9.055 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.838 5.990 9.612 1.00 0.00 H new ATOM 391 N ALA A 96 5.446 -0.011 5.022 1.00 0.00 N ATOM 392 CA ALA A 96 6.320 0.070 3.858 1.00 0.00 C ATOM 393 C ALA A 96 5.531 0.426 2.603 1.00 0.00 C ATOM 394 O ALA A 96 5.943 1.283 1.820 1.00 0.00 O ATOM 395 CB ALA A 96 7.063 -1.243 3.663 1.00 0.00 C ATOM 0 H ALA A 96 5.625 -0.811 5.629 1.00 0.00 H new ATOM 0 HA ALA A 96 7.047 0.863 4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.712 -1.168 2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.666 -1.455 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.345 -2.049 3.513 1.00 0.00 H new ATOM 401 N LYS A 97 4.395 -0.237 2.416 1.00 0.00 N ATOM 402 CA LYS A 97 3.547 0.009 1.255 1.00 0.00 C ATOM 403 C LYS A 97 3.123 1.473 1.192 1.00 0.00 C ATOM 404 O LYS A 97 3.204 2.108 0.140 1.00 0.00 O ATOM 405 CB LYS A 97 2.310 -0.889 1.303 1.00 0.00 C ATOM 406 CG LYS A 97 1.198 -0.444 0.367 1.00 0.00 C ATOM 407 CD LYS A 97 -0.100 -1.179 0.654 1.00 0.00 C ATOM 408 CE LYS A 97 -0.182 -2.487 -0.118 1.00 0.00 C ATOM 409 NZ LYS A 97 0.167 -2.305 -1.555 1.00 0.00 N ATOM 0 H LYS A 97 4.040 -0.949 3.054 1.00 0.00 H new ATOM 0 HA LYS A 97 4.123 -0.223 0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.601 -1.908 1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.927 -0.912 2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.040 0.629 0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.497 -0.622 -0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.177 -1.380 1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.945 -0.544 0.388 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.493 -3.216 0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.190 -2.894 -0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.139 -3.139 -2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.312 -1.459 -1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.196 -2.190 -1.650 1.00 0.00 H new ATOM 423 N PHE A 98 2.673 2.004 2.324 1.00 0.00 N ATOM 424 CA PHE A 98 2.238 3.394 2.397 1.00 0.00 C ATOM 425 C PHE A 98 3.431 4.342 2.336 1.00 0.00 C ATOM 426 O PHE A 98 3.302 5.493 1.922 1.00 0.00 O ATOM 427 CB PHE A 98 1.445 3.635 3.683 1.00 0.00 C ATOM 428 CG PHE A 98 -0.011 3.285 3.565 1.00 0.00 C ATOM 429 CD1 PHE A 98 -0.929 4.224 3.120 1.00 0.00 C ATOM 430 CD2 PHE A 98 -0.462 2.018 3.897 1.00 0.00 C ATOM 431 CE1 PHE A 98 -2.269 3.905 3.011 1.00 0.00 C ATOM 432 CE2 PHE A 98 -1.801 1.693 3.789 1.00 0.00 C ATOM 433 CZ PHE A 98 -2.706 2.638 3.345 1.00 0.00 C ATOM 0 H PHE A 98 2.600 1.493 3.204 1.00 0.00 H new ATOM 0 HA PHE A 98 1.595 3.593 1.539 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.887 3.048 4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.536 4.684 3.965 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.593 5.216 2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.241 1.275 4.244 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.974 4.646 2.665 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.140 0.702 4.051 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.753 2.387 3.259 1.00 0.00 H new ATOM 443 N GLU A 99 4.593 3.849 2.753 1.00 0.00 N ATOM 444 CA GLU A 99 5.810 4.652 2.748 1.00 0.00 C ATOM 445 C GLU A 99 6.248 4.967 1.321 1.00 0.00 C ATOM 446 O GLU A 99 6.943 5.953 1.077 1.00 0.00 O ATOM 447 CB GLU A 99 6.933 3.923 3.489 1.00 0.00 C ATOM 448 CG GLU A 99 6.937 4.175 4.987 1.00 0.00 C ATOM 449 CD GLU A 99 8.316 4.027 5.600 1.00 0.00 C ATOM 450 OE1 GLU A 99 9.150 3.302 5.017 1.00 0.00 O ATOM 451 OE2 GLU A 99 8.562 4.636 6.662 1.00 0.00 O ATOM 0 H GLU A 99 4.717 2.897 3.099 1.00 0.00 H new ATOM 0 HA GLU A 99 5.597 5.590 3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.840 2.852 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.892 4.234 3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.562 5.179 5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.252 3.479 5.471 1.00 0.00 H new ATOM 458 N GLU A 100 5.836 4.121 0.381 1.00 0.00 N ATOM 459 CA GLU A 100 6.187 4.308 -1.021 1.00 0.00 C ATOM 460 C GLU A 100 5.689 5.658 -1.532 1.00 0.00 C ATOM 461 O GLU A 100 6.194 6.183 -2.524 1.00 0.00 O ATOM 462 CB GLU A 100 5.598 3.181 -1.872 1.00 0.00 C ATOM 463 CG GLU A 100 6.399 1.890 -1.810 1.00 0.00 C ATOM 464 CD GLU A 100 7.782 2.032 -2.415 1.00 0.00 C ATOM 465 OE1 GLU A 100 7.930 2.811 -3.380 1.00 0.00 O ATOM 466 OE2 GLU A 100 8.716 1.365 -1.924 1.00 0.00 O ATOM 0 H GLU A 100 5.259 3.300 0.566 1.00 0.00 H new ATOM 0 HA GLU A 100 7.274 4.286 -1.102 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.578 2.982 -1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.539 3.513 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.492 1.574 -0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.856 1.104 -2.335 1.00 0.00 H new ATOM 473 N TYR A 101 4.696 6.213 -0.846 1.00 0.00 N ATOM 474 CA TYR A 101 4.128 7.499 -1.230 1.00 0.00 C ATOM 475 C TYR A 101 4.793 8.639 -0.465 1.00 0.00 C ATOM 476 O TYR A 101 5.238 9.622 -1.055 1.00 0.00 O ATOM 477 CB TYR A 101 2.620 7.510 -0.976 1.00 0.00 C ATOM 478 CG TYR A 101 1.868 6.448 -1.746 1.00 0.00 C ATOM 479 CD1 TYR A 101 1.996 5.104 -1.421 1.00 0.00 C ATOM 480 CD2 TYR A 101 1.028 6.790 -2.799 1.00 0.00 C ATOM 481 CE1 TYR A 101 1.312 4.131 -2.122 1.00 0.00 C ATOM 482 CE2 TYR A 101 0.339 5.824 -3.506 1.00 0.00 C ATOM 483 CZ TYR A 101 0.484 4.495 -3.164 1.00 0.00 C ATOM 484 OH TYR A 101 -0.200 3.529 -3.864 1.00 0.00 O ATOM 0 H TYR A 101 4.268 5.792 -0.021 1.00 0.00 H new ATOM 0 HA TYR A 101 4.311 7.645 -2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.439 7.371 0.090 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.222 8.489 -1.242 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.642 4.815 -0.605 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.912 7.829 -3.069 1.00 0.00 H new ATOM 0 HE1 TYR A 101 1.424 3.090 -1.856 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.310 6.107 -4.322 1.00 0.00 H new ATOM 0 HH TYR A 101 0.317 2.696 -3.863 1.00 0.00 H new ATOM 494 N GLY A 102 4.855 8.499 0.856 1.00 0.00 N ATOM 495 CA GLY A 102 5.467 9.523 1.683 1.00 0.00 C ATOM 496 C GLY A 102 6.061 8.960 2.959 1.00 0.00 C ATOM 497 O GLY A 102 5.893 7.784 3.281 1.00 0.00 O ATOM 0 H GLY A 102 4.492 7.695 1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.248 10.026 1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.721 10.276 1.935 1.00 0.00 H new ATOM 501 N PRO A 103 6.775 9.812 3.709 1.00 0.00 N ATOM 502 CA PRO A 103 7.412 9.414 4.969 1.00 0.00 C ATOM 503 C PRO A 103 6.394 9.142 6.072 1.00 0.00 C ATOM 504 O PRO A 103 6.145 9.994 6.925 1.00 0.00 O ATOM 505 CB PRO A 103 8.277 10.625 5.327 1.00 0.00 C ATOM 506 CG PRO A 103 7.614 11.777 4.653 1.00 0.00 C ATOM 507 CD PRO A 103 7.017 11.228 3.387 1.00 0.00 C ATOM 0 HA PRO A 103 7.975 8.486 4.866 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.325 10.772 6.406 1.00 0.00 H new ATOM 0 HB3 PRO A 103 9.301 10.497 4.977 1.00 0.00 H new ATOM 0 HG2 PRO A 103 6.844 12.212 5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.332 12.568 4.435 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.094 11.743 3.122 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.697 11.337 2.542 1.00 0.00 H new ATOM 515 N VAL A 104 5.809 7.949 6.049 1.00 0.00 N ATOM 516 CA VAL A 104 4.819 7.564 7.048 1.00 0.00 C ATOM 517 C VAL A 104 5.297 7.906 8.455 1.00 0.00 C ATOM 518 O VAL A 104 6.498 7.950 8.720 1.00 0.00 O ATOM 519 CB VAL A 104 4.506 6.058 6.977 1.00 0.00 C ATOM 520 CG1 VAL A 104 3.483 5.674 8.035 1.00 0.00 C ATOM 521 CG2 VAL A 104 4.014 5.682 5.587 1.00 0.00 C ATOM 0 H VAL A 104 6.003 7.232 5.350 1.00 0.00 H new ATOM 0 HA VAL A 104 3.912 8.127 6.828 1.00 0.00 H new ATOM 0 HB VAL A 104 5.424 5.504 7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.275 4.606 7.969 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.878 5.906 9.024 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.562 6.234 7.871 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.797 4.614 5.554 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.108 6.243 5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.784 5.919 4.852 1.00 0.00 H new ATOM 531 N ILE A 105 4.348 8.147 9.354 1.00 0.00 N ATOM 532 CA ILE A 105 4.672 8.484 10.734 1.00 0.00 C ATOM 533 C ILE A 105 4.480 7.282 11.653 1.00 0.00 C ATOM 534 O ILE A 105 5.413 6.849 12.328 1.00 0.00 O ATOM 535 CB ILE A 105 3.808 9.651 11.247 1.00 0.00 C ATOM 536 CG1 ILE A 105 3.928 10.853 10.309 1.00 0.00 C ATOM 537 CG2 ILE A 105 4.218 10.032 12.662 1.00 0.00 C ATOM 538 CD1 ILE A 105 3.441 12.148 10.921 1.00 0.00 C ATOM 0 H ILE A 105 3.349 8.115 9.151 1.00 0.00 H new ATOM 0 HA ILE A 105 5.719 8.785 10.747 1.00 0.00 H new ATOM 0 HB ILE A 105 2.766 9.332 11.266 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.970 10.970 10.013 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.359 10.653 9.401 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.598 10.858 13.010 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.085 9.175 13.322 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.265 10.336 12.668 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.556 12.957 10.200 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.390 12.050 11.192 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.026 12.371 11.813 1.00 0.00 H new ATOM 550 N GLU A 106 3.263 6.746 11.671 1.00 0.00 N ATOM 551 CA GLU A 106 2.950 5.592 12.506 1.00 0.00 C ATOM 552 C GLU A 106 1.840 4.753 11.880 1.00 0.00 C ATOM 553 O GLU A 106 0.758 5.259 11.580 1.00 0.00 O ATOM 554 CB GLU A 106 2.531 6.047 13.906 1.00 0.00 C ATOM 555 CG GLU A 106 1.830 7.395 13.924 1.00 0.00 C ATOM 556 CD GLU A 106 1.783 8.009 15.309 1.00 0.00 C ATOM 557 OE1 GLU A 106 2.846 8.437 15.805 1.00 0.00 O ATOM 558 OE2 GLU A 106 0.683 8.062 15.898 1.00 0.00 O ATOM 0 H GLU A 106 2.479 7.092 11.118 1.00 0.00 H new ATOM 0 HA GLU A 106 3.847 4.978 12.584 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.869 5.297 14.340 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.415 6.098 14.542 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.343 8.076 13.246 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.814 7.277 13.548 1.00 0.00 H new ATOM 565 N CYS A 107 2.118 3.468 11.684 1.00 0.00 N ATOM 566 CA CYS A 107 1.144 2.558 11.092 1.00 0.00 C ATOM 567 C CYS A 107 0.820 1.413 12.046 1.00 0.00 C ATOM 568 O CYS A 107 1.689 0.932 12.773 1.00 0.00 O ATOM 569 CB CYS A 107 1.674 2.001 9.770 1.00 0.00 C ATOM 570 SG CYS A 107 0.631 0.719 9.037 1.00 0.00 S ATOM 0 H CYS A 107 3.009 3.034 11.926 1.00 0.00 H new ATOM 0 HA CYS A 107 0.229 3.118 10.901 1.00 0.00 H new ATOM 0 HB2 CYS A 107 1.778 2.820 9.059 1.00 0.00 H new ATOM 0 HB3 CYS A 107 2.671 1.593 9.934 1.00 0.00 H new ATOM 0 HG CYS A 107 1.041 0.463 7.830 1.00 0.00 H new ATOM 576 N ASP A 108 -0.437 0.983 12.039 1.00 0.00 N ATOM 577 CA ASP A 108 -0.877 -0.105 12.905 1.00 0.00 C ATOM 578 C ASP A 108 -1.889 -0.995 12.188 1.00 0.00 C ATOM 579 O ASP A 108 -2.760 -0.505 11.469 1.00 0.00 O ATOM 580 CB ASP A 108 -1.491 0.453 14.190 1.00 0.00 C ATOM 581 CG ASP A 108 -0.464 0.636 15.290 1.00 0.00 C ATOM 582 OD1 ASP A 108 -0.207 -0.336 16.031 1.00 0.00 O ATOM 583 OD2 ASP A 108 0.085 1.752 15.409 1.00 0.00 O ATOM 0 H ASP A 108 -1.169 1.371 11.444 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.006 -0.708 13.160 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.965 1.411 13.977 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.275 -0.220 14.537 1.00 0.00 H new ATOM 588 N ILE A 109 -1.765 -2.302 12.389 1.00 0.00 N ATOM 589 CA ILE A 109 -2.669 -3.259 11.762 1.00 0.00 C ATOM 590 C ILE A 109 -3.726 -3.745 12.748 1.00 0.00 C ATOM 591 O ILE A 109 -3.505 -3.749 13.959 1.00 0.00 O ATOM 592 CB ILE A 109 -1.904 -4.475 11.207 1.00 0.00 C ATOM 593 CG1 ILE A 109 -1.164 -4.097 9.922 1.00 0.00 C ATOM 594 CG2 ILE A 109 -2.859 -5.632 10.953 1.00 0.00 C ATOM 595 CD1 ILE A 109 -0.202 -5.161 9.442 1.00 0.00 C ATOM 0 H ILE A 109 -1.048 -2.723 12.980 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.157 -2.739 10.938 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.170 -4.792 11.948 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.894 -3.898 9.137 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.614 -3.170 10.088 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.303 -6.484 10.561 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.345 -5.915 11.887 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.615 -5.328 10.229 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.286 -4.824 8.527 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.551 -5.344 10.209 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.749 -6.083 9.243 1.00 0.00 H new ATOM 607 N VAL A 110 -4.875 -4.156 12.220 1.00 0.00 N ATOM 608 CA VAL A 110 -5.966 -4.647 13.053 1.00 0.00 C ATOM 609 C VAL A 110 -6.565 -5.924 12.477 1.00 0.00 C ATOM 610 O VAL A 110 -6.214 -6.346 11.375 1.00 0.00 O ATOM 611 CB VAL A 110 -7.078 -3.591 13.200 1.00 0.00 C ATOM 612 CG1 VAL A 110 -7.944 -3.894 14.414 1.00 0.00 C ATOM 613 CG2 VAL A 110 -6.480 -2.196 13.297 1.00 0.00 C ATOM 0 H VAL A 110 -5.074 -4.159 11.220 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.544 -4.859 14.036 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.710 -3.629 12.313 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.724 -3.138 14.502 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.402 -4.876 14.298 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -7.327 -3.885 15.312 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.280 -1.463 13.400 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.824 -2.141 14.165 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.907 -1.982 12.395 1.00 0.00 H new ATOM 623 N LYS A 111 -7.473 -6.537 13.229 1.00 0.00 N ATOM 624 CA LYS A 111 -8.125 -7.767 12.794 1.00 0.00 C ATOM 625 C LYS A 111 -8.323 -7.771 11.281 1.00 0.00 C ATOM 626 O LYS A 111 -7.605 -8.459 10.554 1.00 0.00 O ATOM 627 CB LYS A 111 -9.475 -7.929 13.496 1.00 0.00 C ATOM 628 CG LYS A 111 -9.362 -8.088 15.002 1.00 0.00 C ATOM 629 CD LYS A 111 -8.859 -9.471 15.380 1.00 0.00 C ATOM 630 CE LYS A 111 -8.071 -9.442 16.681 1.00 0.00 C ATOM 631 NZ LYS A 111 -6.632 -9.135 16.451 1.00 0.00 N ATOM 0 H LYS A 111 -7.774 -6.202 14.144 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.481 -8.605 13.061 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.096 -7.060 13.276 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.987 -8.799 13.085 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -8.684 -7.332 15.399 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.335 -7.916 15.461 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.704 -10.152 15.481 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.229 -9.861 14.581 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.500 -8.695 17.349 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.161 -10.406 17.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.129 -9.124 17.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -6.216 -9.862 15.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.544 -8.204 15.996 1.00 0.00 H new ATOM 645 N ASP A 112 -9.298 -7.000 10.814 1.00 0.00 N ATOM 646 CA ASP A 112 -9.588 -6.913 9.388 1.00 0.00 C ATOM 647 C ASP A 112 -9.464 -5.475 8.894 1.00 0.00 C ATOM 648 O ASP A 112 -9.925 -5.141 7.803 1.00 0.00 O ATOM 649 CB ASP A 112 -10.992 -7.446 9.098 1.00 0.00 C ATOM 650 CG ASP A 112 -12.061 -6.724 9.894 1.00 0.00 C ATOM 651 OD1 ASP A 112 -12.285 -7.101 11.063 1.00 0.00 O ATOM 652 OD2 ASP A 112 -12.674 -5.783 9.348 1.00 0.00 O ATOM 0 H ASP A 112 -9.901 -6.426 11.403 1.00 0.00 H new ATOM 0 HA ASP A 112 -8.859 -7.524 8.856 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -11.204 -7.343 8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -11.028 -8.511 9.329 1.00 0.00 H new ATOM 657 N TYR A 113 -8.841 -4.628 9.706 1.00 0.00 N ATOM 658 CA TYR A 113 -8.660 -3.225 9.354 1.00 0.00 C ATOM 659 C TYR A 113 -7.270 -2.738 9.753 1.00 0.00 C ATOM 660 O TYR A 113 -6.465 -3.497 10.291 1.00 0.00 O ATOM 661 CB TYR A 113 -9.727 -2.365 10.032 1.00 0.00 C ATOM 662 CG TYR A 113 -10.209 -2.926 11.351 1.00 0.00 C ATOM 663 CD1 TYR A 113 -10.909 -4.126 11.404 1.00 0.00 C ATOM 664 CD2 TYR A 113 -9.965 -2.257 12.544 1.00 0.00 C ATOM 665 CE1 TYR A 113 -11.351 -4.642 12.606 1.00 0.00 C ATOM 666 CE2 TYR A 113 -10.402 -2.767 13.751 1.00 0.00 C ATOM 667 CZ TYR A 113 -11.095 -3.959 13.777 1.00 0.00 C ATOM 668 OH TYR A 113 -11.534 -4.470 14.977 1.00 0.00 O ATOM 0 H TYR A 113 -8.453 -4.889 10.613 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.762 -3.133 8.273 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -9.325 -1.365 10.197 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -10.578 -2.259 9.359 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -11.110 -4.664 10.489 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.424 -1.322 12.527 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -11.894 -5.575 12.629 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -10.202 -2.235 14.669 1.00 0.00 H new ATOM 0 HH TYR A 113 -11.271 -3.868 15.705 1.00 0.00 H new ATOM 678 N ALA A 114 -6.996 -1.465 9.485 1.00 0.00 N ATOM 679 CA ALA A 114 -5.706 -0.875 9.817 1.00 0.00 C ATOM 680 C ALA A 114 -5.780 0.648 9.806 1.00 0.00 C ATOM 681 O ALA A 114 -6.801 1.228 9.434 1.00 0.00 O ATOM 682 CB ALA A 114 -4.638 -1.360 8.849 1.00 0.00 C ATOM 0 H ALA A 114 -7.651 -0.823 9.039 1.00 0.00 H new ATOM 0 HA ALA A 114 -5.438 -1.193 10.825 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.680 -0.911 9.110 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.558 -2.445 8.909 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.910 -1.072 7.833 1.00 0.00 H new ATOM 688 N PHE A 115 -4.693 1.292 10.218 1.00 0.00 N ATOM 689 CA PHE A 115 -4.635 2.749 10.257 1.00 0.00 C ATOM 690 C PHE A 115 -3.215 3.244 10.001 1.00 0.00 C ATOM 691 O PHE A 115 -2.288 2.913 10.740 1.00 0.00 O ATOM 692 CB PHE A 115 -5.131 3.264 11.610 1.00 0.00 C ATOM 693 CG PHE A 115 -6.525 2.816 11.947 1.00 0.00 C ATOM 694 CD1 PHE A 115 -6.751 1.558 12.483 1.00 0.00 C ATOM 695 CD2 PHE A 115 -7.608 3.652 11.729 1.00 0.00 C ATOM 696 CE1 PHE A 115 -8.033 1.143 12.794 1.00 0.00 C ATOM 697 CE2 PHE A 115 -8.891 3.243 12.038 1.00 0.00 C ATOM 698 CZ PHE A 115 -9.104 1.987 12.573 1.00 0.00 C ATOM 0 H PHE A 115 -3.840 0.828 10.530 1.00 0.00 H new ATOM 0 HA PHE A 115 -5.282 3.135 9.470 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.450 2.925 12.391 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -5.098 4.354 11.609 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -5.917 0.895 12.660 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -7.447 4.635 11.312 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.197 0.160 13.209 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.726 3.904 11.862 1.00 0.00 H new ATOM 0 HZ PHE A 115 -10.106 1.666 12.818 1.00 0.00 H new ATOM 708 N VAL A 116 -3.053 4.040 8.949 1.00 0.00 N ATOM 709 CA VAL A 116 -1.746 4.582 8.594 1.00 0.00 C ATOM 710 C VAL A 116 -1.684 6.082 8.860 1.00 0.00 C ATOM 711 O VAL A 116 -2.452 6.857 8.289 1.00 0.00 O ATOM 712 CB VAL A 116 -1.412 4.319 7.114 1.00 0.00 C ATOM 713 CG1 VAL A 116 -0.138 5.048 6.716 1.00 0.00 C ATOM 714 CG2 VAL A 116 -1.285 2.826 6.854 1.00 0.00 C ATOM 0 H VAL A 116 -3.810 4.324 8.327 1.00 0.00 H new ATOM 0 HA VAL A 116 -1.012 4.074 9.219 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.228 4.703 6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.082 4.850 5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.271 6.120 6.863 1.00 0.00 H new ATOM 0 HG13 VAL A 116 0.690 4.697 7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.049 2.658 5.803 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.489 2.415 7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -2.226 2.333 7.097 1.00 0.00 H new ATOM 724 N HIS A 117 -0.763 6.485 9.730 1.00 0.00 N ATOM 725 CA HIS A 117 -0.599 7.894 10.070 1.00 0.00 C ATOM 726 C HIS A 117 0.445 8.552 9.173 1.00 0.00 C ATOM 727 O HIS A 117 1.645 8.343 9.345 1.00 0.00 O ATOM 728 CB HIS A 117 -0.194 8.042 11.537 1.00 0.00 C ATOM 729 CG HIS A 117 -0.612 9.345 12.146 1.00 0.00 C ATOM 730 ND1 HIS A 117 -1.359 9.430 13.301 1.00 0.00 N ATOM 731 CD2 HIS A 117 -0.381 10.620 11.754 1.00 0.00 C ATOM 732 CE1 HIS A 117 -1.572 10.701 13.592 1.00 0.00 C ATOM 733 NE2 HIS A 117 -0.988 11.444 12.669 1.00 0.00 N ATOM 0 H HIS A 117 -0.120 5.857 10.212 1.00 0.00 H new ATOM 0 HA HIS A 117 -1.555 8.394 9.912 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -0.632 7.225 12.110 1.00 0.00 H new ATOM 0 HB3 HIS A 117 0.888 7.943 11.618 1.00 0.00 H new ATOM 0 HD2 HIS A 117 0.177 10.931 10.883 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -2.129 11.070 14.441 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -0.988 12.464 12.641 1.00 0.00 H new ATOM 742 N MET A 118 -0.021 9.347 8.215 1.00 0.00 N ATOM 743 CA MET A 118 0.873 10.035 7.291 1.00 0.00 C ATOM 744 C MET A 118 1.293 11.391 7.850 1.00 0.00 C ATOM 745 O MET A 118 0.795 11.825 8.888 1.00 0.00 O ATOM 746 CB MET A 118 0.194 10.219 5.933 1.00 0.00 C ATOM 747 CG MET A 118 0.431 9.063 4.974 1.00 0.00 C ATOM 748 SD MET A 118 2.183 8.751 4.683 1.00 0.00 S ATOM 749 CE MET A 118 2.159 8.262 2.960 1.00 0.00 C ATOM 0 H MET A 118 -1.012 9.531 8.059 1.00 0.00 H new ATOM 0 HA MET A 118 1.765 9.422 7.163 1.00 0.00 H new ATOM 0 HB2 MET A 118 -0.878 10.340 6.086 1.00 0.00 H new ATOM 0 HB3 MET A 118 0.557 11.140 5.476 1.00 0.00 H new ATOM 0 HG2 MET A 118 -0.033 8.162 5.375 1.00 0.00 H new ATOM 0 HG3 MET A 118 -0.059 9.278 4.024 1.00 0.00 H new ATOM 0 HE1 MET A 118 3.156 8.379 2.535 1.00 0.00 H new ATOM 0 HE2 MET A 118 1.851 7.219 2.882 1.00 0.00 H new ATOM 0 HE3 MET A 118 1.456 8.890 2.413 1.00 0.00 H new ATOM 759 N GLU A 119 2.212 12.053 7.155 1.00 0.00 N ATOM 760 CA GLU A 119 2.699 13.359 7.584 1.00 0.00 C ATOM 761 C GLU A 119 2.101 14.471 6.727 1.00 0.00 C ATOM 762 O GLU A 119 1.439 15.375 7.237 1.00 0.00 O ATOM 763 CB GLU A 119 4.227 13.408 7.510 1.00 0.00 C ATOM 764 CG GLU A 119 4.812 14.755 7.900 1.00 0.00 C ATOM 765 CD GLU A 119 6.325 14.782 7.805 1.00 0.00 C ATOM 766 OE1 GLU A 119 6.964 13.795 8.226 1.00 0.00 O ATOM 767 OE2 GLU A 119 6.871 15.791 7.311 1.00 0.00 O ATOM 0 H GLU A 119 2.634 11.707 6.293 1.00 0.00 H new ATOM 0 HA GLU A 119 2.388 13.513 8.617 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.639 12.639 8.164 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.541 13.165 6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.397 15.528 7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.511 14.996 8.919 1.00 0.00 H new ATOM 774 N ARG A 120 2.341 14.398 5.422 1.00 0.00 N ATOM 775 CA ARG A 120 1.828 15.398 4.493 1.00 0.00 C ATOM 776 C ARG A 120 0.574 14.892 3.786 1.00 0.00 C ATOM 777 O ARG A 120 0.463 13.708 3.470 1.00 0.00 O ATOM 778 CB ARG A 120 2.897 15.762 3.461 1.00 0.00 C ATOM 779 CG ARG A 120 4.146 16.379 4.069 1.00 0.00 C ATOM 780 CD ARG A 120 3.883 17.791 4.568 1.00 0.00 C ATOM 781 NE ARG A 120 3.494 18.691 3.486 1.00 0.00 N ATOM 782 CZ ARG A 120 3.523 20.016 3.585 1.00 0.00 C ATOM 783 NH1 ARG A 120 3.922 20.591 4.711 1.00 0.00 N ATOM 784 NH2 ARG A 120 3.154 20.767 2.556 1.00 0.00 N ATOM 0 H ARG A 120 2.888 13.657 4.984 1.00 0.00 H new ATOM 0 HA ARG A 120 1.567 16.288 5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.177 14.865 2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.471 16.460 2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.494 15.759 4.895 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.943 16.397 3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.095 17.768 5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 120 4.779 18.176 5.055 1.00 0.00 H new ATOM 0 HE ARG A 120 3.183 18.280 2.606 1.00 0.00 H new ATOM 0 HH11 ARG A 120 4.208 20.016 5.504 1.00 0.00 H new ATOM 0 HH12 ARG A 120 3.943 21.608 4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 120 2.848 20.328 1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 120 3.177 21.784 2.633 1.00 0.00 H new ATOM 798 N ALA A 121 -0.368 15.798 3.543 1.00 0.00 N ATOM 799 CA ALA A 121 -1.612 15.444 2.872 1.00 0.00 C ATOM 800 C ALA A 121 -1.346 14.885 1.479 1.00 0.00 C ATOM 801 O ALA A 121 -1.946 13.890 1.074 1.00 0.00 O ATOM 802 CB ALA A 121 -2.531 16.654 2.791 1.00 0.00 C ATOM 0 H ALA A 121 -0.293 16.782 3.801 1.00 0.00 H new ATOM 0 HA ALA A 121 -2.103 14.667 3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.456 16.375 2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.758 17.007 3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.038 17.448 2.230 1.00 0.00 H new ATOM 808 N GLU A 122 -0.443 15.533 0.749 1.00 0.00 N ATOM 809 CA GLU A 122 -0.099 15.100 -0.600 1.00 0.00 C ATOM 810 C GLU A 122 0.238 13.612 -0.625 1.00 0.00 C ATOM 811 O GLU A 122 -0.141 12.894 -1.550 1.00 0.00 O ATOM 812 CB GLU A 122 1.084 15.911 -1.134 1.00 0.00 C ATOM 813 CG GLU A 122 0.777 17.388 -1.315 1.00 0.00 C ATOM 814 CD GLU A 122 0.231 17.706 -2.693 1.00 0.00 C ATOM 815 OE1 GLU A 122 0.921 17.403 -3.689 1.00 0.00 O ATOM 816 OE2 GLU A 122 -0.886 18.258 -2.776 1.00 0.00 O ATOM 0 H GLU A 122 0.063 16.359 1.069 1.00 0.00 H new ATOM 0 HA GLU A 122 -0.965 15.269 -1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 122 1.925 15.805 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 122 1.397 15.494 -2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 122 0.054 17.700 -0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 122 1.685 17.967 -1.145 1.00 0.00 H new ATOM 823 N ASP A 123 0.954 13.156 0.397 1.00 0.00 N ATOM 824 CA ASP A 123 1.343 11.754 0.494 1.00 0.00 C ATOM 825 C ASP A 123 0.151 10.886 0.887 1.00 0.00 C ATOM 826 O ASP A 123 -0.069 9.821 0.311 1.00 0.00 O ATOM 827 CB ASP A 123 2.471 11.585 1.513 1.00 0.00 C ATOM 828 CG ASP A 123 3.762 12.237 1.061 1.00 0.00 C ATOM 829 OD1 ASP A 123 4.064 12.179 -0.149 1.00 0.00 O ATOM 830 OD2 ASP A 123 4.472 12.805 1.918 1.00 0.00 O ATOM 0 H ASP A 123 1.277 13.737 1.170 1.00 0.00 H new ATOM 0 HA ASP A 123 1.697 11.432 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.164 12.016 2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.645 10.523 1.685 1.00 0.00 H new ATOM 835 N ALA A 124 -0.613 11.349 1.870 1.00 0.00 N ATOM 836 CA ALA A 124 -1.782 10.615 2.338 1.00 0.00 C ATOM 837 C ALA A 124 -2.810 10.451 1.224 1.00 0.00 C ATOM 838 O ALA A 124 -3.117 9.334 0.808 1.00 0.00 O ATOM 839 CB ALA A 124 -2.405 11.322 3.534 1.00 0.00 C ATOM 0 H ALA A 124 -0.444 12.229 2.358 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.457 9.621 2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.277 10.763 3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.676 11.382 4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.709 12.328 3.244 1.00 0.00 H new ATOM 845 N VAL A 125 -3.341 11.572 0.745 1.00 0.00 N ATOM 846 CA VAL A 125 -4.334 11.552 -0.322 1.00 0.00 C ATOM 847 C VAL A 125 -3.924 10.598 -1.438 1.00 0.00 C ATOM 848 O VAL A 125 -4.743 9.833 -1.946 1.00 0.00 O ATOM 849 CB VAL A 125 -4.548 12.957 -0.916 1.00 0.00 C ATOM 850 CG1 VAL A 125 -5.449 12.888 -2.139 1.00 0.00 C ATOM 851 CG2 VAL A 125 -5.129 13.895 0.132 1.00 0.00 C ATOM 0 H VAL A 125 -3.100 12.505 1.079 1.00 0.00 H new ATOM 0 HA VAL A 125 -5.268 11.207 0.122 1.00 0.00 H new ATOM 0 HB VAL A 125 -3.581 13.352 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -5.589 13.890 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.989 12.251 -2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -6.416 12.473 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -5.274 14.883 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -6.087 13.507 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -4.443 13.968 0.976 1.00 0.00 H new ATOM 861 N GLU A 126 -2.650 10.649 -1.814 1.00 0.00 N ATOM 862 CA GLU A 126 -2.131 9.788 -2.871 1.00 0.00 C ATOM 863 C GLU A 126 -2.100 8.331 -2.419 1.00 0.00 C ATOM 864 O GLU A 126 -2.579 7.442 -3.122 1.00 0.00 O ATOM 865 CB GLU A 126 -0.727 10.237 -3.281 1.00 0.00 C ATOM 866 CG GLU A 126 -0.721 11.412 -4.244 1.00 0.00 C ATOM 867 CD GLU A 126 -1.400 11.091 -5.561 1.00 0.00 C ATOM 868 OE1 GLU A 126 -1.223 9.960 -6.060 1.00 0.00 O ATOM 869 OE2 GLU A 126 -2.109 11.972 -6.093 1.00 0.00 O ATOM 0 H GLU A 126 -1.959 11.277 -1.403 1.00 0.00 H new ATOM 0 HA GLU A 126 -2.796 9.869 -3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.166 10.508 -2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.206 9.398 -3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.222 12.261 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.308 11.715 -4.435 1.00 0.00 H new ATOM 876 N ALA A 127 -1.531 8.095 -1.242 1.00 0.00 N ATOM 877 CA ALA A 127 -1.437 6.747 -0.695 1.00 0.00 C ATOM 878 C ALA A 127 -2.775 6.021 -0.793 1.00 0.00 C ATOM 879 O ALA A 127 -2.821 4.793 -0.870 1.00 0.00 O ATOM 880 CB ALA A 127 -0.965 6.795 0.750 1.00 0.00 C ATOM 0 H ALA A 127 -1.128 8.820 -0.648 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.708 6.192 -1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -0.900 5.781 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.017 7.267 0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -1.673 7.371 1.345 1.00 0.00 H new ATOM 886 N ILE A 128 -3.860 6.787 -0.789 1.00 0.00 N ATOM 887 CA ILE A 128 -5.198 6.216 -0.878 1.00 0.00 C ATOM 888 C ILE A 128 -5.580 5.933 -2.327 1.00 0.00 C ATOM 889 O ILE A 128 -5.793 4.782 -2.710 1.00 0.00 O ATOM 890 CB ILE A 128 -6.252 7.151 -0.255 1.00 0.00 C ATOM 891 CG1 ILE A 128 -5.981 7.336 1.239 1.00 0.00 C ATOM 892 CG2 ILE A 128 -7.651 6.597 -0.480 1.00 0.00 C ATOM 893 CD1 ILE A 128 -6.830 8.413 1.878 1.00 0.00 C ATOM 0 H ILE A 128 -3.839 7.805 -0.725 1.00 0.00 H new ATOM 0 HA ILE A 128 -5.179 5.280 -0.320 1.00 0.00 H new ATOM 0 HB ILE A 128 -6.185 8.124 -0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.160 6.391 1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -4.929 7.582 1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -8.384 7.269 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -7.841 6.511 -1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.732 5.613 -0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -6.585 8.489 2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -6.634 9.368 1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -7.884 8.159 1.767 1.00 0.00 H new ATOM 905 N ARG A 129 -5.663 6.989 -3.129 1.00 0.00 N ATOM 906 CA ARG A 129 -6.018 6.854 -4.537 1.00 0.00 C ATOM 907 C ARG A 129 -5.170 5.779 -5.210 1.00 0.00 C ATOM 908 O ARG A 129 -5.519 5.277 -6.278 1.00 0.00 O ATOM 909 CB ARG A 129 -5.837 8.190 -5.260 1.00 0.00 C ATOM 910 CG ARG A 129 -6.789 8.382 -6.430 1.00 0.00 C ATOM 911 CD ARG A 129 -6.656 9.771 -7.034 1.00 0.00 C ATOM 912 NE ARG A 129 -7.608 9.989 -8.120 1.00 0.00 N ATOM 913 CZ ARG A 129 -8.884 10.303 -7.926 1.00 0.00 C ATOM 914 NH1 ARG A 129 -9.358 10.436 -6.695 1.00 0.00 N ATOM 915 NH2 ARG A 129 -9.688 10.486 -8.966 1.00 0.00 N ATOM 0 H ARG A 129 -5.489 7.948 -2.828 1.00 0.00 H new ATOM 0 HA ARG A 129 -7.065 6.556 -4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.982 9.002 -4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -4.811 8.262 -5.621 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.585 7.631 -7.193 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.815 8.226 -6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -6.813 10.520 -6.258 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -5.641 9.908 -7.408 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.275 9.895 -9.079 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -8.742 10.297 -5.894 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -10.338 10.677 -6.549 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -9.326 10.385 -9.914 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -10.668 10.727 -8.817 1.00 0.00 H new ATOM 929 N GLY A 130 -4.052 5.432 -4.579 1.00 0.00 N ATOM 930 CA GLY A 130 -3.172 4.420 -5.132 1.00 0.00 C ATOM 931 C GLY A 130 -3.376 3.061 -4.493 1.00 0.00 C ATOM 932 O GLY A 130 -3.397 2.039 -5.180 1.00 0.00 O ATOM 0 H GLY A 130 -3.741 5.834 -3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.343 4.342 -6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -2.136 4.730 -4.996 1.00 0.00 H new ATOM 936 N LEU A 131 -3.525 3.047 -3.173 1.00 0.00 N ATOM 937 CA LEU A 131 -3.727 1.802 -2.439 1.00 0.00 C ATOM 938 C LEU A 131 -5.214 1.505 -2.270 1.00 0.00 C ATOM 939 O LEU A 131 -5.592 0.523 -1.630 1.00 0.00 O ATOM 940 CB LEU A 131 -3.052 1.880 -1.069 1.00 0.00 C ATOM 941 CG LEU A 131 -1.570 2.258 -1.071 1.00 0.00 C ATOM 942 CD1 LEU A 131 -1.050 2.388 0.352 1.00 0.00 C ATOM 943 CD2 LEU A 131 -0.759 1.231 -1.846 1.00 0.00 C ATOM 0 H LEU A 131 -3.510 3.883 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.277 0.993 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.591 2.607 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -3.159 0.913 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.462 3.224 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.006 2.657 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.611 3.162 0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.171 1.438 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.293 1.516 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.874 0.251 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.114 1.188 -2.876 1.00 0.00 H new ATOM 955 N ASP A 132 -6.052 2.357 -2.849 1.00 0.00 N ATOM 956 CA ASP A 132 -7.498 2.185 -2.765 1.00 0.00 C ATOM 957 C ASP A 132 -7.957 1.021 -3.638 1.00 0.00 C ATOM 958 O ASP A 132 -7.730 1.012 -4.847 1.00 0.00 O ATOM 959 CB ASP A 132 -8.212 3.469 -3.188 1.00 0.00 C ATOM 960 CG ASP A 132 -7.879 3.875 -4.611 1.00 0.00 C ATOM 961 OD1 ASP A 132 -6.769 3.544 -5.078 1.00 0.00 O ATOM 962 OD2 ASP A 132 -8.729 4.523 -5.257 1.00 0.00 O ATOM 0 H ASP A 132 -5.755 3.174 -3.382 1.00 0.00 H new ATOM 0 HA ASP A 132 -7.753 1.962 -1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -9.289 3.330 -3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -7.936 4.276 -2.509 1.00 0.00 H new ATOM 967 N ASN A 133 -8.603 0.040 -3.016 1.00 0.00 N ATOM 968 CA ASN A 133 -9.093 -1.129 -3.737 1.00 0.00 C ATOM 969 C ASN A 133 -7.943 -1.881 -4.400 1.00 0.00 C ATOM 970 O ASN A 133 -8.022 -2.251 -5.572 1.00 0.00 O ATOM 971 CB ASN A 133 -10.120 -0.711 -4.791 1.00 0.00 C ATOM 972 CG ASN A 133 -11.443 -0.295 -4.177 1.00 0.00 C ATOM 973 OD1 ASN A 133 -11.554 0.779 -3.586 1.00 0.00 O ATOM 974 ND2 ASN A 133 -12.453 -1.146 -4.315 1.00 0.00 N ATOM 0 H ASN A 133 -8.799 0.031 -2.015 1.00 0.00 H new ATOM 0 HA ASN A 133 -9.571 -1.794 -3.018 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -9.719 0.116 -5.377 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -10.287 -1.539 -5.480 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -13.367 -0.920 -3.923 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -12.315 -2.025 -4.813 1.00 0.00 H new ATOM 981 N THR A 134 -6.874 -2.104 -3.643 1.00 0.00 N ATOM 982 CA THR A 134 -5.707 -2.810 -4.156 1.00 0.00 C ATOM 983 C THR A 134 -5.552 -4.172 -3.490 1.00 0.00 C ATOM 984 O THR A 134 -5.681 -4.296 -2.273 1.00 0.00 O ATOM 985 CB THR A 134 -4.417 -1.996 -3.941 1.00 0.00 C ATOM 986 OG1 THR A 134 -4.307 -1.608 -2.567 1.00 0.00 O ATOM 987 CG2 THR A 134 -4.405 -0.758 -4.825 1.00 0.00 C ATOM 0 H THR A 134 -6.792 -1.805 -2.671 1.00 0.00 H new ATOM 0 HA THR A 134 -5.866 -2.947 -5.226 1.00 0.00 H new ATOM 0 HB THR A 134 -3.568 -2.624 -4.211 1.00 0.00 H new ATOM 0 HG1 THR A 134 -5.043 -1.003 -2.338 1.00 0.00 H new ATOM 0 HG21 THR A 134 -3.485 -0.199 -4.656 1.00 0.00 H new ATOM 0 HG22 THR A 134 -4.460 -1.058 -5.872 1.00 0.00 H new ATOM 0 HG23 THR A 134 -5.261 -0.129 -4.582 1.00 0.00 H new ATOM 995 N GLU A 135 -5.274 -5.192 -4.296 1.00 0.00 N ATOM 996 CA GLU A 135 -5.101 -6.546 -3.783 1.00 0.00 C ATOM 997 C GLU A 135 -3.943 -6.608 -2.791 1.00 0.00 C ATOM 998 O GLU A 135 -2.775 -6.547 -3.179 1.00 0.00 O ATOM 999 CB GLU A 135 -4.855 -7.524 -4.934 1.00 0.00 C ATOM 1000 CG GLU A 135 -4.904 -8.983 -4.513 1.00 0.00 C ATOM 1001 CD GLU A 135 -4.661 -9.933 -5.670 1.00 0.00 C ATOM 1002 OE1 GLU A 135 -5.640 -10.290 -6.359 1.00 0.00 O ATOM 1003 OE2 GLU A 135 -3.494 -10.318 -5.887 1.00 0.00 O ATOM 0 H GLU A 135 -5.164 -5.106 -5.306 1.00 0.00 H new ATOM 0 HA GLU A 135 -6.016 -6.830 -3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -5.601 -7.353 -5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -3.881 -7.314 -5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -4.156 -9.159 -3.740 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -5.877 -9.197 -4.070 1.00 0.00 H new ATOM 1010 N PHE A 136 -4.274 -6.729 -1.510 1.00 0.00 N ATOM 1011 CA PHE A 136 -3.263 -6.798 -0.462 1.00 0.00 C ATOM 1012 C PHE A 136 -3.117 -8.224 0.061 1.00 0.00 C ATOM 1013 O PHE A 136 -4.049 -8.781 0.640 1.00 0.00 O ATOM 1014 CB PHE A 136 -3.624 -5.856 0.688 1.00 0.00 C ATOM 1015 CG PHE A 136 -2.474 -5.565 1.609 1.00 0.00 C ATOM 1016 CD1 PHE A 136 -1.816 -6.594 2.263 1.00 0.00 C ATOM 1017 CD2 PHE A 136 -2.051 -4.262 1.821 1.00 0.00 C ATOM 1018 CE1 PHE A 136 -0.756 -6.330 3.111 1.00 0.00 C ATOM 1019 CE2 PHE A 136 -0.993 -3.992 2.668 1.00 0.00 C ATOM 1020 CZ PHE A 136 -0.345 -5.027 3.314 1.00 0.00 C ATOM 0 H PHE A 136 -5.235 -6.781 -1.173 1.00 0.00 H new ATOM 0 HA PHE A 136 -2.310 -6.488 -0.891 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.995 -4.918 0.275 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -4.438 -6.295 1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -2.135 -7.614 2.109 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -2.554 -3.449 1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -0.250 -7.141 3.614 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -0.673 -2.973 2.825 1.00 0.00 H new ATOM 0 HZ PHE A 136 0.482 -4.818 3.977 1.00 0.00 H new ATOM 1030 N GLN A 137 -1.942 -8.808 -0.150 1.00 0.00 N ATOM 1031 CA GLN A 137 -1.675 -10.170 0.299 1.00 0.00 C ATOM 1032 C GLN A 137 -2.728 -11.135 -0.236 1.00 0.00 C ATOM 1033 O GLN A 137 -3.006 -12.166 0.375 1.00 0.00 O ATOM 1034 CB GLN A 137 -1.642 -10.228 1.827 1.00 0.00 C ATOM 1035 CG GLN A 137 -0.493 -9.446 2.441 1.00 0.00 C ATOM 1036 CD GLN A 137 0.757 -10.285 2.616 1.00 0.00 C ATOM 1037 OE1 GLN A 137 0.808 -11.440 2.192 1.00 0.00 O ATOM 1038 NE2 GLN A 137 1.775 -9.708 3.244 1.00 0.00 N ATOM 0 H GLN A 137 -1.160 -8.360 -0.628 1.00 0.00 H new ATOM 0 HA GLN A 137 -0.702 -10.470 -0.090 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.583 -9.841 2.217 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -1.571 -11.269 2.141 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -0.264 -8.588 1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -0.802 -9.055 3.410 1.00 0.00 H new ATOM 0 HE21 GLN A 137 1.690 -8.748 3.579 1.00 0.00 H new ATOM 0 HE22 GLN A 137 2.642 -10.224 3.391 1.00 0.00 H new ATOM 1047 N GLY A 138 -3.310 -10.794 -1.382 1.00 0.00 N ATOM 1048 CA GLY A 138 -4.325 -11.641 -1.979 1.00 0.00 C ATOM 1049 C GLY A 138 -5.713 -11.038 -1.883 1.00 0.00 C ATOM 1050 O GLY A 138 -6.511 -11.146 -2.815 1.00 0.00 O ATOM 0 H GLY A 138 -3.096 -9.946 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -4.079 -11.814 -3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -4.319 -12.613 -1.485 1.00 0.00 H new ATOM 1054 N LYS A 139 -6.003 -10.403 -0.753 1.00 0.00 N ATOM 1055 CA LYS A 139 -7.304 -9.781 -0.537 1.00 0.00 C ATOM 1056 C LYS A 139 -7.212 -8.264 -0.677 1.00 0.00 C ATOM 1057 O LYS A 139 -6.338 -7.629 -0.086 1.00 0.00 O ATOM 1058 CB LYS A 139 -7.843 -10.144 0.849 1.00 0.00 C ATOM 1059 CG LYS A 139 -6.794 -10.078 1.945 1.00 0.00 C ATOM 1060 CD LYS A 139 -7.431 -9.984 3.321 1.00 0.00 C ATOM 1061 CE LYS A 139 -7.813 -11.356 3.854 1.00 0.00 C ATOM 1062 NZ LYS A 139 -8.868 -11.270 4.901 1.00 0.00 N ATOM 0 H LYS A 139 -5.354 -10.305 0.028 1.00 0.00 H new ATOM 0 HA LYS A 139 -7.989 -10.158 -1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -8.661 -9.469 1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -8.259 -11.151 0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -6.159 -10.963 1.896 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -6.149 -9.214 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -6.738 -9.504 4.012 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.318 -9.353 3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -8.166 -11.979 3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -6.930 -11.844 4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -8.934 -12.178 5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -8.626 -10.518 5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -9.783 -11.054 4.455 1.00 0.00 H new ATOM 1076 N ARG A 140 -8.119 -7.691 -1.460 1.00 0.00 N ATOM 1077 CA ARG A 140 -8.140 -6.249 -1.677 1.00 0.00 C ATOM 1078 C ARG A 140 -8.651 -5.520 -0.437 1.00 0.00 C ATOM 1079 O ARG A 140 -9.622 -5.945 0.188 1.00 0.00 O ATOM 1080 CB ARG A 140 -9.018 -5.905 -2.881 1.00 0.00 C ATOM 1081 CG ARG A 140 -9.369 -4.430 -2.977 1.00 0.00 C ATOM 1082 CD ARG A 140 -10.360 -4.165 -4.101 1.00 0.00 C ATOM 1083 NE ARG A 140 -11.605 -4.906 -3.918 1.00 0.00 N ATOM 1084 CZ ARG A 140 -11.780 -6.160 -4.318 1.00 0.00 C ATOM 1085 NH1 ARG A 140 -10.794 -6.811 -4.920 1.00 0.00 N ATOM 1086 NH2 ARG A 140 -12.943 -6.767 -4.116 1.00 0.00 N ATOM 0 H ARG A 140 -8.849 -8.203 -1.955 1.00 0.00 H new ATOM 0 HA ARG A 140 -7.119 -5.922 -1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.504 -6.207 -3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.939 -6.486 -2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.792 -4.093 -2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.462 -3.849 -3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -10.577 -3.098 -4.149 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -9.910 -4.442 -5.054 1.00 0.00 H new ATOM 0 HE ARG A 140 -12.383 -4.434 -3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -9.898 -6.349 -5.077 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -10.931 -7.774 -5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -13.704 -6.270 -3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -13.076 -7.730 -4.424 1.00 0.00 H new ATOM 1100 N MET A 141 -7.989 -4.423 -0.088 1.00 0.00 N ATOM 1101 CA MET A 141 -8.377 -3.635 1.077 1.00 0.00 C ATOM 1102 C MET A 141 -8.868 -2.253 0.659 1.00 0.00 C ATOM 1103 O MET A 141 -8.484 -1.737 -0.391 1.00 0.00 O ATOM 1104 CB MET A 141 -7.198 -3.499 2.043 1.00 0.00 C ATOM 1105 CG MET A 141 -5.859 -3.321 1.346 1.00 0.00 C ATOM 1106 SD MET A 141 -5.690 -1.702 0.569 1.00 0.00 S ATOM 1107 CE MET A 141 -4.014 -1.276 1.035 1.00 0.00 C ATOM 0 H MET A 141 -7.182 -4.059 -0.594 1.00 0.00 H new ATOM 0 HA MET A 141 -9.192 -4.154 1.581 1.00 0.00 H new ATOM 0 HB2 MET A 141 -7.373 -2.646 2.699 1.00 0.00 H new ATOM 0 HB3 MET A 141 -7.154 -4.385 2.676 1.00 0.00 H new ATOM 0 HG2 MET A 141 -5.056 -3.458 2.070 1.00 0.00 H new ATOM 0 HG3 MET A 141 -5.742 -4.097 0.589 1.00 0.00 H new ATOM 0 HE1 MET A 141 -3.947 -0.202 1.209 1.00 0.00 H new ATOM 0 HE2 MET A 141 -3.743 -1.809 1.946 1.00 0.00 H new ATOM 0 HE3 MET A 141 -3.331 -1.557 0.234 1.00 0.00 H new ATOM 1117 N HIS A 142 -9.721 -1.657 1.487 1.00 0.00 N ATOM 1118 CA HIS A 142 -10.265 -0.334 1.203 1.00 0.00 C ATOM 1119 C HIS A 142 -9.553 0.734 2.026 1.00 0.00 C ATOM 1120 O HIS A 142 -9.574 0.702 3.257 1.00 0.00 O ATOM 1121 CB HIS A 142 -11.766 -0.303 1.495 1.00 0.00 C ATOM 1122 CG HIS A 142 -12.488 -1.538 1.051 1.00 0.00 C ATOM 1123 ND1 HIS A 142 -13.817 -1.774 1.331 1.00 0.00 N ATOM 1124 CD2 HIS A 142 -12.058 -2.609 0.343 1.00 0.00 C ATOM 1125 CE1 HIS A 142 -14.174 -2.936 0.814 1.00 0.00 C ATOM 1126 NE2 HIS A 142 -13.125 -3.463 0.209 1.00 0.00 N ATOM 0 H HIS A 142 -10.050 -2.070 2.360 1.00 0.00 H new ATOM 0 HA HIS A 142 -10.104 -0.121 0.146 1.00 0.00 H new ATOM 0 HB2 HIS A 142 -11.917 -0.169 2.566 1.00 0.00 H new ATOM 0 HB3 HIS A 142 -12.206 0.563 1.001 1.00 0.00 H new ATOM 0 HD2 HIS A 142 -11.062 -2.763 -0.044 1.00 0.00 H new ATOM 0 HE1 HIS A 142 -15.157 -3.380 0.876 1.00 0.00 H new ATOM 0 HE2 HIS A 142 -13.110 -4.359 -0.279 1.00 0.00 H new ATOM 1135 N VAL A 143 -8.921 1.681 1.339 1.00 0.00 N ATOM 1136 CA VAL A 143 -8.202 2.760 2.006 1.00 0.00 C ATOM 1137 C VAL A 143 -8.942 4.085 1.861 1.00 0.00 C ATOM 1138 O VAL A 143 -9.332 4.472 0.760 1.00 0.00 O ATOM 1139 CB VAL A 143 -6.777 2.916 1.444 1.00 0.00 C ATOM 1140 CG1 VAL A 143 -6.001 3.957 2.237 1.00 0.00 C ATOM 1141 CG2 VAL A 143 -6.052 1.579 1.452 1.00 0.00 C ATOM 0 H VAL A 143 -8.893 1.722 0.320 1.00 0.00 H new ATOM 0 HA VAL A 143 -8.141 2.495 3.062 1.00 0.00 H new ATOM 0 HB VAL A 143 -6.848 3.259 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -4.996 4.053 1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -6.512 4.918 2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -5.937 3.647 3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -5.046 1.708 1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -5.990 1.205 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -6.599 0.865 0.836 1.00 0.00 H new ATOM 1151 N GLN A 144 -9.131 4.776 2.980 1.00 0.00 N ATOM 1152 CA GLN A 144 -9.824 6.059 2.978 1.00 0.00 C ATOM 1153 C GLN A 144 -9.338 6.943 4.121 1.00 0.00 C ATOM 1154 O GLN A 144 -8.420 6.577 4.856 1.00 0.00 O ATOM 1155 CB GLN A 144 -11.335 5.846 3.089 1.00 0.00 C ATOM 1156 CG GLN A 144 -11.777 5.316 4.443 1.00 0.00 C ATOM 1157 CD GLN A 144 -13.092 4.566 4.376 1.00 0.00 C ATOM 1158 OE1 GLN A 144 -13.902 4.789 3.475 1.00 0.00 O ATOM 1159 NE2 GLN A 144 -13.313 3.670 5.331 1.00 0.00 N ATOM 0 H GLN A 144 -8.814 4.469 3.900 1.00 0.00 H new ATOM 0 HA GLN A 144 -9.603 6.561 2.036 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -11.842 6.791 2.895 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -11.653 5.149 2.314 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -11.006 4.655 4.839 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -11.873 6.148 5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -12.615 3.517 6.058 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -14.181 3.135 5.337 1.00 0.00 H new ATOM 1168 N LEU A 145 -9.959 8.109 4.266 1.00 0.00 N ATOM 1169 CA LEU A 145 -9.589 9.046 5.321 1.00 0.00 C ATOM 1170 C LEU A 145 -10.043 8.537 6.686 1.00 0.00 C ATOM 1171 O LEU A 145 -11.125 7.967 6.818 1.00 0.00 O ATOM 1172 CB LEU A 145 -10.203 10.420 5.047 1.00 0.00 C ATOM 1173 CG LEU A 145 -9.368 11.368 4.185 1.00 0.00 C ATOM 1174 CD1 LEU A 145 -8.067 11.722 4.887 1.00 0.00 C ATOM 1175 CD2 LEU A 145 -9.091 10.746 2.824 1.00 0.00 C ATOM 0 H LEU A 145 -10.720 8.428 3.667 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.503 9.135 5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -11.168 10.274 4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -10.397 10.906 6.003 1.00 0.00 H new ATOM 0 HG LEU A 145 -9.936 12.286 4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -7.486 12.397 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -8.287 12.210 5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -7.493 10.813 5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -8.496 11.434 2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -8.544 9.812 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -10.035 10.545 2.317 1.00 0.00 H new