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 97 LYS NZ :NH3+ 157:sc= -0.89 (180deg=-1.27) USER MOD Set 1.2: A 134 THR OG1 : rot -71:sc= 0.798 USER MOD Set 1.3: A 141 MET CE :methyl 144:sc= -0.573 (180deg=-0.689) USER MOD Set 2.1: A 91 ASN : amide:sc= -1.5 K(o=-1.6,f=-0.29) USER MOD Set 2.2: A 107 CYS SG : rot 150:sc= -0.101 USER MOD Set 3.1: A 86 SER OG : rot -146:sc= 0.295 USER MOD Set 3.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 137 GLN : amide:sc= -2.27 K(o=-2,f=-8.9!) USER MOD Single : A 78 THR OG1 : rot -29:sc= 0.0508 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -4.73! C(o=-4.7!,f=-7.3!) USER MOD Single : A 84 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.098) USER MOD Single : A 89 CYS SG : rot 180:sc= -0.404 USER MOD Single : A 90 THR OG1 : rot -177:sc= -2.08 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 101 TYR OH : rot -140:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -163:sc= -0.0144 (180deg=-0.146) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -2.09! K(o=-2.1!,f=-1.5) USER MOD Single : A 118 MET CE :methyl -173:sc= -1.29 (180deg=-1.48) USER MOD Single : A 133 ASN : amide:sc= -0.693 X(o=-0.69,f=-0.45) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.0044) USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 78 -1.729 13.287 9.105 1.00 0.00 N ATOM 110 CA THR A 78 -2.871 12.715 8.402 1.00 0.00 C ATOM 111 C THR A 78 -3.124 11.278 8.842 1.00 0.00 C ATOM 112 O THR A 78 -2.259 10.639 9.443 1.00 0.00 O ATOM 113 CB THR A 78 -2.662 12.744 6.876 1.00 0.00 C ATOM 114 OG1 THR A 78 -1.267 12.645 6.570 1.00 0.00 O ATOM 115 CG2 THR A 78 -3.228 14.023 6.277 1.00 0.00 C ATOM 0 HA THR A 78 -3.737 13.327 8.655 1.00 0.00 H new ATOM 0 HB THR A 78 -3.189 11.894 6.443 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.743 13.035 7.301 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.069 14.021 5.199 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.296 14.081 6.486 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.725 14.884 6.717 1.00 0.00 H new ATOM 123 N LYS A 79 -4.314 10.772 8.539 1.00 0.00 N ATOM 124 CA LYS A 79 -4.682 9.408 8.900 1.00 0.00 C ATOM 125 C LYS A 79 -5.348 8.695 7.728 1.00 0.00 C ATOM 126 O LYS A 79 -6.151 9.286 7.005 1.00 0.00 O ATOM 127 CB LYS A 79 -5.621 9.414 10.108 1.00 0.00 C ATOM 128 CG LYS A 79 -5.525 8.160 10.960 1.00 0.00 C ATOM 129 CD LYS A 79 -4.271 8.164 11.819 1.00 0.00 C ATOM 130 CE LYS A 79 -4.413 7.237 13.016 1.00 0.00 C ATOM 131 NZ LYS A 79 -5.014 7.931 14.188 1.00 0.00 N ATOM 0 H LYS A 79 -5.042 11.287 8.043 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.771 8.869 9.159 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.396 10.282 10.728 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.647 9.528 9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.405 8.085 11.599 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.523 7.281 10.316 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.416 7.855 11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.068 9.178 12.164 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.033 6.383 12.742 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.433 6.845 13.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.094 7.265 14.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.409 8.730 14.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.959 8.283 13.936 1.00 0.00 H new ATOM 145 N LEU A 80 -5.012 7.423 7.547 1.00 0.00 N ATOM 146 CA LEU A 80 -5.580 6.628 6.463 1.00 0.00 C ATOM 147 C LEU A 80 -6.122 5.302 6.987 1.00 0.00 C ATOM 148 O LEU A 80 -5.362 4.439 7.428 1.00 0.00 O ATOM 149 CB LEU A 80 -4.525 6.371 5.386 1.00 0.00 C ATOM 150 CG LEU A 80 -3.715 7.588 4.936 1.00 0.00 C ATOM 151 CD1 LEU A 80 -2.705 7.192 3.870 1.00 0.00 C ATOM 152 CD2 LEU A 80 -4.638 8.682 4.420 1.00 0.00 C ATOM 0 H LEU A 80 -4.349 6.919 8.137 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.406 7.190 6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.832 5.616 5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.021 5.947 4.513 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.170 7.977 5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.138 8.070 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.024 6.444 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.229 6.778 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.044 9.540 4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.211 8.305 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.321 8.986 5.213 1.00 0.00 H new ATOM 164 N HIS A 81 -7.441 5.145 6.933 1.00 0.00 N ATOM 165 CA HIS A 81 -8.085 3.922 7.399 1.00 0.00 C ATOM 166 C HIS A 81 -8.057 2.847 6.317 1.00 0.00 C ATOM 167 O HIS A 81 -8.226 3.139 5.133 1.00 0.00 O ATOM 168 CB HIS A 81 -9.529 4.208 7.814 1.00 0.00 C ATOM 169 CG HIS A 81 -10.248 3.006 8.346 1.00 0.00 C ATOM 170 ND1 HIS A 81 -10.286 1.798 7.683 1.00 0.00 N ATOM 171 CD2 HIS A 81 -10.957 2.831 9.485 1.00 0.00 C ATOM 172 CE1 HIS A 81 -10.990 0.932 8.391 1.00 0.00 C ATOM 173 NE2 HIS A 81 -11.408 1.534 9.489 1.00 0.00 N ATOM 0 H HIS A 81 -8.084 5.849 6.571 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.532 3.556 8.264 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.532 4.989 8.574 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.075 4.597 6.955 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -11.135 3.573 10.249 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.189 -0.094 8.118 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -11.974 1.105 10.221 1.00 0.00 H new ATOM 182 N VAL A 82 -7.843 1.603 6.731 1.00 0.00 N ATOM 183 CA VAL A 82 -7.793 0.484 5.798 1.00 0.00 C ATOM 184 C VAL A 82 -8.693 -0.657 6.259 1.00 0.00 C ATOM 185 O VAL A 82 -8.834 -0.906 7.455 1.00 0.00 O ATOM 186 CB VAL A 82 -6.356 -0.046 5.632 1.00 0.00 C ATOM 187 CG1 VAL A 82 -6.225 -0.841 4.342 1.00 0.00 C ATOM 188 CG2 VAL A 82 -5.359 1.103 5.664 1.00 0.00 C ATOM 0 H VAL A 82 -7.701 1.344 7.707 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.148 0.858 4.837 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.134 -0.713 6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.203 -1.207 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.913 -1.686 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.465 -0.200 3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.349 0.711 5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.577 1.797 4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.436 1.625 6.618 1.00 0.00 H new ATOM 198 N GLY A 83 -9.301 -1.349 5.299 1.00 0.00 N ATOM 199 CA GLY A 83 -10.180 -2.456 5.627 1.00 0.00 C ATOM 200 C GLY A 83 -9.833 -3.718 4.861 1.00 0.00 C ATOM 201 O GLY A 83 -9.063 -3.678 3.903 1.00 0.00 O ATOM 0 H GLY A 83 -9.200 -1.162 4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.123 -2.657 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.210 -2.175 5.410 1.00 0.00 H new ATOM 205 N ASN A 84 -10.401 -4.841 5.287 1.00 0.00 N ATOM 206 CA ASN A 84 -10.146 -6.121 4.636 1.00 0.00 C ATOM 207 C ASN A 84 -8.657 -6.455 4.658 1.00 0.00 C ATOM 208 O ASN A 84 -8.055 -6.720 3.617 1.00 0.00 O ATOM 209 CB ASN A 84 -10.652 -6.093 3.193 1.00 0.00 C ATOM 210 CG ASN A 84 -11.093 -7.461 2.708 1.00 0.00 C ATOM 211 OD1 ASN A 84 -12.095 -8.004 3.174 1.00 0.00 O ATOM 212 ND2 ASN A 84 -10.344 -8.025 1.768 1.00 0.00 N ATOM 0 H ASN A 84 -11.041 -4.891 6.080 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.682 -6.894 5.187 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.487 -5.397 3.117 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -9.863 -5.716 2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.591 -8.945 1.403 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.522 -7.538 1.411 1.00 0.00 H new ATOM 219 N ILE A 85 -8.071 -6.440 5.850 1.00 0.00 N ATOM 220 CA ILE A 85 -6.653 -6.743 6.008 1.00 0.00 C ATOM 221 C ILE A 85 -6.425 -8.243 6.158 1.00 0.00 C ATOM 222 O ILE A 85 -7.338 -8.988 6.516 1.00 0.00 O ATOM 223 CB ILE A 85 -6.055 -6.019 7.228 1.00 0.00 C ATOM 224 CG1 ILE A 85 -6.617 -4.600 7.333 1.00 0.00 C ATOM 225 CG2 ILE A 85 -4.537 -5.988 7.134 1.00 0.00 C ATOM 226 CD1 ILE A 85 -6.105 -3.666 6.258 1.00 0.00 C ATOM 0 H ILE A 85 -8.555 -6.221 6.721 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.153 -6.390 5.106 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.333 -6.567 8.129 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.705 -4.644 7.277 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.364 -4.189 8.310 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.129 -5.473 8.004 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.153 -7.008 7.103 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.239 -5.461 6.227 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.545 -2.678 6.394 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.020 -3.592 6.327 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.381 -4.054 5.277 1.00 0.00 H new ATOM 238 N SER A 86 -5.200 -8.680 5.885 1.00 0.00 N ATOM 239 CA SER A 86 -4.851 -10.092 5.988 1.00 0.00 C ATOM 240 C SER A 86 -4.572 -10.478 7.438 1.00 0.00 C ATOM 241 O SER A 86 -4.068 -9.684 8.232 1.00 0.00 O ATOM 242 CB SER A 86 -3.630 -10.403 5.121 1.00 0.00 C ATOM 243 OG SER A 86 -2.948 -11.552 5.593 1.00 0.00 O ATOM 0 H SER A 86 -4.432 -8.076 5.591 1.00 0.00 H new ATOM 0 HA SER A 86 -5.698 -10.677 5.631 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.944 -10.561 4.089 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.953 -9.549 5.121 1.00 0.00 H new ATOM 0 HG SER A 86 -1.986 -11.447 5.441 1.00 0.00 H new ATOM 249 N PRO A 87 -4.906 -11.728 7.791 1.00 0.00 N ATOM 250 CA PRO A 87 -4.700 -12.250 9.146 1.00 0.00 C ATOM 251 C PRO A 87 -3.224 -12.447 9.473 1.00 0.00 C ATOM 252 O PRO A 87 -2.850 -12.606 10.635 1.00 0.00 O ATOM 253 CB PRO A 87 -5.428 -13.596 9.122 1.00 0.00 C ATOM 254 CG PRO A 87 -5.423 -14.004 7.689 1.00 0.00 C ATOM 255 CD PRO A 87 -5.510 -12.729 6.896 1.00 0.00 C ATOM 0 HA PRO A 87 -5.070 -11.564 9.908 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.920 -14.332 9.745 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.445 -13.503 9.504 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.515 -14.555 7.443 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.265 -14.660 7.467 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.968 -12.804 5.953 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.542 -12.478 6.651 1.00 0.00 H new ATOM 263 N THR A 88 -2.387 -12.436 8.440 1.00 0.00 N ATOM 264 CA THR A 88 -0.952 -12.614 8.617 1.00 0.00 C ATOM 265 C THR A 88 -0.187 -11.362 8.205 1.00 0.00 C ATOM 266 O THR A 88 1.041 -11.377 8.106 1.00 0.00 O ATOM 267 CB THR A 88 -0.430 -13.813 7.803 1.00 0.00 C ATOM 268 OG1 THR A 88 -0.471 -13.510 6.404 1.00 0.00 O ATOM 269 CG2 THR A 88 -1.257 -15.058 8.082 1.00 0.00 C ATOM 0 H THR A 88 -2.679 -12.306 7.472 1.00 0.00 H new ATOM 0 HA THR A 88 -0.786 -12.804 9.677 1.00 0.00 H new ATOM 0 HB THR A 88 0.600 -14.006 8.102 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.136 -14.276 5.893 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.869 -15.891 7.496 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.200 -15.303 9.143 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.296 -14.874 7.808 1.00 0.00 H new ATOM 277 N CYS A 89 -0.918 -10.280 7.965 1.00 0.00 N ATOM 278 CA CYS A 89 -0.308 -9.018 7.563 1.00 0.00 C ATOM 279 C CYS A 89 0.740 -8.572 8.578 1.00 0.00 C ATOM 280 O CYS A 89 0.653 -8.901 9.762 1.00 0.00 O ATOM 281 CB CYS A 89 -1.377 -7.936 7.407 1.00 0.00 C ATOM 282 SG CYS A 89 -0.727 -6.317 6.933 1.00 0.00 S ATOM 0 H CYS A 89 -1.935 -10.251 8.042 1.00 0.00 H new ATOM 0 HA CYS A 89 0.185 -9.172 6.603 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.099 -8.259 6.657 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -1.918 -7.837 8.348 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.708 -5.471 6.824 1.00 0.00 H new ATOM 288 N THR A 90 1.732 -7.822 8.108 1.00 0.00 N ATOM 289 CA THR A 90 2.797 -7.334 8.973 1.00 0.00 C ATOM 290 C THR A 90 2.951 -5.822 8.857 1.00 0.00 C ATOM 291 O THR A 90 2.883 -5.264 7.763 1.00 0.00 O ATOM 292 CB THR A 90 4.144 -8.002 8.638 1.00 0.00 C ATOM 293 OG1 THR A 90 4.444 -7.829 7.248 1.00 0.00 O ATOM 294 CG2 THR A 90 4.111 -9.485 8.974 1.00 0.00 C ATOM 0 H THR A 90 1.819 -7.540 7.132 1.00 0.00 H new ATOM 0 HA THR A 90 2.516 -7.591 9.994 1.00 0.00 H new ATOM 0 HB THR A 90 4.920 -7.527 9.239 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.278 -8.296 7.033 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.073 -9.935 8.729 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.911 -9.613 10.038 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.325 -9.972 8.396 1.00 0.00 H new ATOM 302 N ASN A 91 3.158 -5.163 9.993 1.00 0.00 N ATOM 303 CA ASN A 91 3.321 -3.714 10.018 1.00 0.00 C ATOM 304 C ASN A 91 4.382 -3.269 9.016 1.00 0.00 C ATOM 305 O ASN A 91 4.327 -2.156 8.493 1.00 0.00 O ATOM 306 CB ASN A 91 3.703 -3.247 11.424 1.00 0.00 C ATOM 307 CG ASN A 91 2.492 -2.881 12.260 1.00 0.00 C ATOM 308 OD1 ASN A 91 2.103 -3.619 13.166 1.00 0.00 O ATOM 309 ND2 ASN A 91 1.889 -1.737 11.959 1.00 0.00 N ATOM 0 H ASN A 91 3.217 -5.610 10.908 1.00 0.00 H new ATOM 0 HA ASN A 91 2.370 -3.261 9.738 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.263 -4.036 11.926 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.365 -2.384 11.350 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.069 -1.438 12.487 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.246 -1.157 11.200 1.00 0.00 H new ATOM 316 N GLN A 92 5.346 -4.146 8.755 1.00 0.00 N ATOM 317 CA GLN A 92 6.419 -3.843 7.816 1.00 0.00 C ATOM 318 C GLN A 92 5.902 -3.837 6.381 1.00 0.00 C ATOM 319 O GLN A 92 6.354 -3.047 5.552 1.00 0.00 O ATOM 320 CB GLN A 92 7.552 -4.861 7.958 1.00 0.00 C ATOM 321 CG GLN A 92 8.905 -4.332 7.509 1.00 0.00 C ATOM 322 CD GLN A 92 9.950 -5.424 7.396 1.00 0.00 C ATOM 323 OE1 GLN A 92 9.707 -6.573 7.766 1.00 0.00 O ATOM 324 NE2 GLN A 92 11.123 -5.071 6.882 1.00 0.00 N ATOM 0 H GLN A 92 5.406 -5.071 9.180 1.00 0.00 H new ATOM 0 HA GLN A 92 6.801 -2.849 8.049 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.621 -5.173 9.000 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.307 -5.749 7.375 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.796 -3.838 6.544 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.249 -3.577 8.216 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.282 -4.107 6.588 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.865 -5.764 6.781 1.00 0.00 H new ATOM 333 N GLU A 93 4.953 -4.722 6.095 1.00 0.00 N ATOM 334 CA GLU A 93 4.376 -4.819 4.760 1.00 0.00 C ATOM 335 C GLU A 93 3.477 -3.621 4.468 1.00 0.00 C ATOM 336 O GLU A 93 3.667 -2.914 3.477 1.00 0.00 O ATOM 337 CB GLU A 93 3.578 -6.116 4.617 1.00 0.00 C ATOM 338 CG GLU A 93 4.446 -7.363 4.574 1.00 0.00 C ATOM 339 CD GLU A 93 4.897 -7.712 3.169 1.00 0.00 C ATOM 340 OE1 GLU A 93 4.128 -8.380 2.448 1.00 0.00 O ATOM 341 OE2 GLU A 93 6.020 -7.316 2.792 1.00 0.00 O ATOM 0 H GLU A 93 4.567 -5.382 6.770 1.00 0.00 H new ATOM 0 HA GLU A 93 5.193 -4.823 4.039 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.881 -6.197 5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.981 -6.067 3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.321 -7.214 5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.890 -8.202 4.992 1.00 0.00 H new ATOM 348 N LEU A 94 2.496 -3.400 5.337 1.00 0.00 N ATOM 349 CA LEU A 94 1.566 -2.288 5.173 1.00 0.00 C ATOM 350 C LEU A 94 2.307 -0.955 5.152 1.00 0.00 C ATOM 351 O LEU A 94 2.268 -0.227 4.160 1.00 0.00 O ATOM 352 CB LEU A 94 0.533 -2.292 6.301 1.00 0.00 C ATOM 353 CG LEU A 94 -0.741 -1.484 6.048 1.00 0.00 C ATOM 354 CD1 LEU A 94 -1.380 -1.895 4.731 1.00 0.00 C ATOM 355 CD2 LEU A 94 -1.722 -1.662 7.197 1.00 0.00 C ATOM 0 H LEU A 94 2.324 -3.976 6.161 1.00 0.00 H new ATOM 0 HA LEU A 94 1.055 -2.413 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.250 -3.325 6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.009 -1.909 7.204 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.473 -0.429 5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.285 -1.310 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.680 -1.716 3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.634 -2.954 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.622 -1.080 7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.984 -2.716 7.292 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.263 -1.318 8.124 1.00 0.00 H new ATOM 367 N ARG A 95 2.985 -0.644 6.252 1.00 0.00 N ATOM 368 CA ARG A 95 3.737 0.601 6.359 1.00 0.00 C ATOM 369 C ARG A 95 4.603 0.821 5.122 1.00 0.00 C ATOM 370 O ARG A 95 4.549 1.879 4.495 1.00 0.00 O ATOM 371 CB ARG A 95 4.614 0.585 7.612 1.00 0.00 C ATOM 372 CG ARG A 95 5.585 1.752 7.691 1.00 0.00 C ATOM 373 CD ARG A 95 6.478 1.652 8.918 1.00 0.00 C ATOM 374 NE ARG A 95 7.552 2.641 8.895 1.00 0.00 N ATOM 375 CZ ARG A 95 8.661 2.539 9.619 1.00 0.00 C ATOM 376 NH1 ARG A 95 8.841 1.496 10.418 1.00 0.00 N ATOM 377 NH2 ARG A 95 9.593 3.480 9.544 1.00 0.00 N ATOM 0 H ARG A 95 3.029 -1.236 7.081 1.00 0.00 H new ATOM 0 HA ARG A 95 3.024 1.422 6.433 1.00 0.00 H new ATOM 0 HB2 ARG A 95 3.973 0.596 8.494 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.177 -0.348 7.639 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.201 1.775 6.792 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.028 2.689 7.720 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.877 1.791 9.816 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.907 0.652 8.973 1.00 0.00 H new ATOM 0 HE ARG A 95 7.445 3.455 8.290 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.127 0.770 10.478 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.693 1.420 10.973 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.459 4.283 8.930 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.444 3.400 10.101 1.00 0.00 H new ATOM 391 N ALA A 96 5.400 -0.185 4.778 1.00 0.00 N ATOM 392 CA ALA A 96 6.276 -0.102 3.615 1.00 0.00 C ATOM 393 C ALA A 96 5.500 0.317 2.372 1.00 0.00 C ATOM 394 O ALA A 96 5.937 1.186 1.617 1.00 0.00 O ATOM 395 CB ALA A 96 6.971 -1.435 3.382 1.00 0.00 C ATOM 0 H ALA A 96 5.457 -1.067 5.288 1.00 0.00 H new ATOM 0 HA ALA A 96 7.031 0.659 3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.622 -1.359 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.566 -1.693 4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.224 -2.210 3.210 1.00 0.00 H new ATOM 401 N LYS A 97 4.345 -0.306 2.163 1.00 0.00 N ATOM 402 CA LYS A 97 3.506 0.002 1.011 1.00 0.00 C ATOM 403 C LYS A 97 3.090 1.470 1.017 1.00 0.00 C ATOM 404 O LYS A 97 3.064 2.122 -0.026 1.00 0.00 O ATOM 405 CB LYS A 97 2.263 -0.891 1.006 1.00 0.00 C ATOM 406 CG LYS A 97 1.162 -0.395 0.085 1.00 0.00 C ATOM 407 CD LYS A 97 -0.151 -1.115 0.348 1.00 0.00 C ATOM 408 CE LYS A 97 -0.280 -2.367 -0.506 1.00 0.00 C ATOM 409 NZ LYS A 97 -1.704 -2.731 -0.745 1.00 0.00 N ATOM 0 H LYS A 97 3.968 -1.028 2.777 1.00 0.00 H new ATOM 0 HA LYS A 97 4.087 -0.189 0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.551 -1.898 0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.872 -0.961 2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.025 0.677 0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.459 -0.545 -0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.215 -1.384 1.402 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.984 -0.443 0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.219 -2.208 -1.462 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.229 -3.196 -0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.774 -3.312 -1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.066 -3.270 0.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.268 -1.866 -0.865 1.00 0.00 H new ATOM 423 N PHE A 98 2.768 1.984 2.200 1.00 0.00 N ATOM 424 CA PHE A 98 2.354 3.375 2.341 1.00 0.00 C ATOM 425 C PHE A 98 3.561 4.308 2.300 1.00 0.00 C ATOM 426 O PHE A 98 3.445 5.471 1.917 1.00 0.00 O ATOM 427 CB PHE A 98 1.588 3.570 3.652 1.00 0.00 C ATOM 428 CG PHE A 98 0.123 3.258 3.542 1.00 0.00 C ATOM 429 CD1 PHE A 98 -0.330 1.953 3.647 1.00 0.00 C ATOM 430 CD2 PHE A 98 -0.800 4.269 3.334 1.00 0.00 C ATOM 431 CE1 PHE A 98 -1.678 1.662 3.547 1.00 0.00 C ATOM 432 CE2 PHE A 98 -2.149 3.985 3.234 1.00 0.00 C ATOM 433 CZ PHE A 98 -2.588 2.679 3.339 1.00 0.00 C ATOM 0 H PHE A 98 2.786 1.458 3.074 1.00 0.00 H new ATOM 0 HA PHE A 98 1.699 3.620 1.505 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.030 2.935 4.420 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.708 4.601 3.984 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.378 1.154 3.809 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.462 5.291 3.249 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.018 0.641 3.631 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.859 4.783 3.074 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.641 2.454 3.258 1.00 0.00 H new ATOM 443 N GLU A 99 4.717 3.788 2.699 1.00 0.00 N ATOM 444 CA GLU A 99 5.945 4.575 2.709 1.00 0.00 C ATOM 445 C GLU A 99 6.365 4.945 1.289 1.00 0.00 C ATOM 446 O GLU A 99 7.144 5.876 1.085 1.00 0.00 O ATOM 447 CB GLU A 99 7.069 3.800 3.400 1.00 0.00 C ATOM 448 CG GLU A 99 7.149 4.048 4.897 1.00 0.00 C ATOM 449 CD GLU A 99 8.552 3.873 5.443 1.00 0.00 C ATOM 450 OE1 GLU A 99 9.231 2.907 5.037 1.00 0.00 O ATOM 451 OE2 GLU A 99 8.971 4.702 6.277 1.00 0.00 O ATOM 0 H GLU A 99 4.829 2.826 3.019 1.00 0.00 H new ATOM 0 HA GLU A 99 5.753 5.493 3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.925 2.734 3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.021 4.073 2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.803 5.059 5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.475 3.363 5.411 1.00 0.00 H new ATOM 458 N GLU A 100 5.844 4.209 0.313 1.00 0.00 N ATOM 459 CA GLU A 100 6.167 4.459 -1.087 1.00 0.00 C ATOM 460 C GLU A 100 5.672 5.835 -1.522 1.00 0.00 C ATOM 461 O GLU A 100 6.276 6.482 -2.377 1.00 0.00 O ATOM 462 CB GLU A 100 5.549 3.378 -1.976 1.00 0.00 C ATOM 463 CG GLU A 100 6.353 2.089 -2.015 1.00 0.00 C ATOM 464 CD GLU A 100 7.508 2.150 -2.995 1.00 0.00 C ATOM 465 OE1 GLU A 100 8.585 2.653 -2.613 1.00 0.00 O ATOM 466 OE2 GLU A 100 7.334 1.694 -4.145 1.00 0.00 O ATOM 0 H GLU A 100 5.197 3.435 0.465 1.00 0.00 H new ATOM 0 HA GLU A 100 7.251 4.432 -1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.543 3.158 -1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.451 3.766 -2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.739 1.876 -1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.695 1.263 -2.286 1.00 0.00 H new ATOM 473 N TYR A 101 4.569 6.275 -0.927 1.00 0.00 N ATOM 474 CA TYR A 101 3.990 7.573 -1.255 1.00 0.00 C ATOM 475 C TYR A 101 4.651 8.684 -0.445 1.00 0.00 C ATOM 476 O TYR A 101 5.070 9.703 -0.994 1.00 0.00 O ATOM 477 CB TYR A 101 2.483 7.563 -0.993 1.00 0.00 C ATOM 478 CG TYR A 101 1.736 6.520 -1.792 1.00 0.00 C ATOM 479 CD1 TYR A 101 1.815 5.173 -1.460 1.00 0.00 C ATOM 480 CD2 TYR A 101 0.951 6.881 -2.880 1.00 0.00 C ATOM 481 CE1 TYR A 101 1.135 4.216 -2.188 1.00 0.00 C ATOM 482 CE2 TYR A 101 0.266 5.931 -3.613 1.00 0.00 C ATOM 483 CZ TYR A 101 0.362 4.600 -3.264 1.00 0.00 C ATOM 484 OH TYR A 101 -0.318 3.650 -3.991 1.00 0.00 O ATOM 0 H TYR A 101 4.058 5.753 -0.215 1.00 0.00 H new ATOM 0 HA TYR A 101 4.167 7.765 -2.313 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.309 7.389 0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.076 8.547 -1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.419 4.869 -0.618 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.875 7.922 -3.158 1.00 0.00 H new ATOM 0 HE1 TYR A 101 1.208 3.173 -1.916 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.341 6.229 -4.455 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.268 3.870 -4.945 1.00 0.00 H new ATOM 494 N GLY A 102 4.741 8.479 0.866 1.00 0.00 N ATOM 495 CA GLY A 102 5.352 9.471 1.731 1.00 0.00 C ATOM 496 C GLY A 102 5.923 8.863 2.997 1.00 0.00 C ATOM 497 O GLY A 102 5.733 7.681 3.284 1.00 0.00 O ATOM 0 H GLY A 102 4.402 7.644 1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.146 9.983 1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.610 10.224 1.996 1.00 0.00 H new ATOM 501 N PRO A 103 6.644 9.681 3.778 1.00 0.00 N ATOM 502 CA PRO A 103 7.260 9.238 5.033 1.00 0.00 C ATOM 503 C PRO A 103 6.227 8.952 6.117 1.00 0.00 C ATOM 504 O PRO A 103 5.827 9.849 6.859 1.00 0.00 O ATOM 505 CB PRO A 103 8.141 10.424 5.433 1.00 0.00 C ATOM 506 CG PRO A 103 7.504 11.605 4.785 1.00 0.00 C ATOM 507 CD PRO A 103 6.912 11.102 3.498 1.00 0.00 C ATOM 0 HA PRO A 103 7.808 8.304 4.910 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.181 10.540 6.516 1.00 0.00 H new ATOM 0 HB3 PRO A 103 9.167 10.289 5.089 1.00 0.00 H new ATOM 0 HG2 PRO A 103 6.735 12.035 5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.237 12.390 4.597 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.000 11.639 3.238 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.602 11.224 2.663 1.00 0.00 H new ATOM 515 N VAL A 104 5.798 7.697 6.203 1.00 0.00 N ATOM 516 CA VAL A 104 4.812 7.292 7.198 1.00 0.00 C ATOM 517 C VAL A 104 5.279 7.641 8.607 1.00 0.00 C ATOM 518 O VAL A 104 6.478 7.660 8.888 1.00 0.00 O ATOM 519 CB VAL A 104 4.527 5.781 7.123 1.00 0.00 C ATOM 520 CG1 VAL A 104 3.649 5.344 8.287 1.00 0.00 C ATOM 521 CG2 VAL A 104 3.878 5.427 5.794 1.00 0.00 C ATOM 0 H VAL A 104 6.118 6.943 5.595 1.00 0.00 H new ATOM 0 HA VAL A 104 3.895 7.838 6.976 1.00 0.00 H new ATOM 0 HB VAL A 104 5.474 5.247 7.193 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.458 4.273 8.217 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.156 5.562 9.227 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.703 5.884 8.252 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.684 4.355 5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 104 2.938 5.970 5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.546 5.702 4.978 1.00 0.00 H new ATOM 531 N ILE A 105 4.324 7.915 9.490 1.00 0.00 N ATOM 532 CA ILE A 105 4.637 8.262 10.870 1.00 0.00 C ATOM 533 C ILE A 105 4.444 7.064 11.795 1.00 0.00 C ATOM 534 O ILE A 105 5.373 6.644 12.484 1.00 0.00 O ATOM 535 CB ILE A 105 3.764 9.428 11.370 1.00 0.00 C ATOM 536 CG1 ILE A 105 3.999 10.673 10.512 1.00 0.00 C ATOM 537 CG2 ILE A 105 4.060 9.722 12.833 1.00 0.00 C ATOM 538 CD1 ILE A 105 3.100 11.834 10.874 1.00 0.00 C ATOM 0 H ILE A 105 3.327 7.903 9.274 1.00 0.00 H new ATOM 0 HA ILE A 105 5.683 8.569 10.889 1.00 0.00 H new ATOM 0 HB ILE A 105 2.716 9.142 11.283 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.039 10.984 10.614 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.844 10.417 9.464 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.435 10.548 13.172 1.00 0.00 H new ATOM 0 HG22 ILE A 105 3.847 8.837 13.432 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.110 9.992 12.945 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.322 12.682 10.226 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.058 11.541 10.745 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.271 12.117 11.913 1.00 0.00 H new ATOM 550 N GLU A 106 3.231 6.519 11.803 1.00 0.00 N ATOM 551 CA GLU A 106 2.917 5.369 12.642 1.00 0.00 C ATOM 552 C GLU A 106 1.825 4.514 12.006 1.00 0.00 C ATOM 553 O GLU A 106 0.717 4.989 11.755 1.00 0.00 O ATOM 554 CB GLU A 106 2.474 5.830 14.032 1.00 0.00 C ATOM 555 CG GLU A 106 3.626 6.032 15.003 1.00 0.00 C ATOM 556 CD GLU A 106 4.130 4.727 15.589 1.00 0.00 C ATOM 557 OE1 GLU A 106 3.292 3.890 15.983 1.00 0.00 O ATOM 558 OE2 GLU A 106 5.364 4.544 15.653 1.00 0.00 O ATOM 0 H GLU A 106 2.451 6.855 11.238 1.00 0.00 H new ATOM 0 HA GLU A 106 3.819 4.764 12.738 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.922 6.765 13.937 1.00 0.00 H new ATOM 0 HB3 GLU A 106 1.785 5.094 14.447 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.445 6.536 14.490 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.304 6.689 15.811 1.00 0.00 H new ATOM 565 N CYS A 107 2.146 3.251 11.749 1.00 0.00 N ATOM 566 CA CYS A 107 1.194 2.328 11.141 1.00 0.00 C ATOM 567 C CYS A 107 0.748 1.268 12.143 1.00 0.00 C ATOM 568 O CYS A 107 1.561 0.729 12.894 1.00 0.00 O ATOM 569 CB CYS A 107 1.813 1.659 9.913 1.00 0.00 C ATOM 570 SG CYS A 107 0.842 0.284 9.253 1.00 0.00 S ATOM 0 H CYS A 107 3.058 2.842 11.952 1.00 0.00 H new ATOM 0 HA CYS A 107 0.319 2.900 10.831 1.00 0.00 H new ATOM 0 HB2 CYS A 107 1.941 2.407 9.131 1.00 0.00 H new ATOM 0 HB3 CYS A 107 2.807 1.296 10.173 1.00 0.00 H new ATOM 0 HG CYS A 107 1.030 0.196 7.970 1.00 0.00 H new ATOM 576 N ASP A 108 -0.547 0.975 12.149 1.00 0.00 N ATOM 577 CA ASP A 108 -1.102 -0.020 13.060 1.00 0.00 C ATOM 578 C ASP A 108 -2.056 -0.957 12.325 1.00 0.00 C ATOM 579 O ASP A 108 -2.888 -0.514 11.533 1.00 0.00 O ATOM 580 CB ASP A 108 -1.831 0.665 14.216 1.00 0.00 C ATOM 581 CG ASP A 108 -0.910 0.967 15.383 1.00 0.00 C ATOM 582 OD1 ASP A 108 -0.270 2.039 15.371 1.00 0.00 O ATOM 583 OD2 ASP A 108 -0.830 0.131 16.307 1.00 0.00 O ATOM 0 H ASP A 108 -1.233 1.412 11.533 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.277 -0.610 13.460 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.279 1.593 13.861 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.647 0.027 14.556 1.00 0.00 H new ATOM 588 N ILE A 109 -1.928 -2.252 12.592 1.00 0.00 N ATOM 589 CA ILE A 109 -2.778 -3.251 11.956 1.00 0.00 C ATOM 590 C ILE A 109 -3.884 -3.712 12.900 1.00 0.00 C ATOM 591 O ILE A 109 -3.728 -3.675 14.120 1.00 0.00 O ATOM 592 CB ILE A 109 -1.964 -4.475 11.500 1.00 0.00 C ATOM 593 CG1 ILE A 109 -1.094 -4.116 10.293 1.00 0.00 C ATOM 594 CG2 ILE A 109 -2.892 -5.633 11.164 1.00 0.00 C ATOM 595 CD1 ILE A 109 0.047 -5.081 10.062 1.00 0.00 C ATOM 0 H ILE A 109 -1.244 -2.634 13.245 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.224 -2.776 11.082 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.311 -4.783 12.317 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.719 -4.085 9.401 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.689 -3.114 10.433 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.302 -6.491 10.843 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.473 -5.902 12.046 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.567 -5.337 10.361 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.621 -4.764 9.191 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.695 -5.094 10.938 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.351 -6.081 9.890 1.00 0.00 H new ATOM 607 N VAL A 110 -5.000 -4.148 12.326 1.00 0.00 N ATOM 608 CA VAL A 110 -6.132 -4.620 13.115 1.00 0.00 C ATOM 609 C VAL A 110 -6.735 -5.883 12.510 1.00 0.00 C ATOM 610 O VAL A 110 -6.347 -6.311 11.423 1.00 0.00 O ATOM 611 CB VAL A 110 -7.227 -3.543 13.226 1.00 0.00 C ATOM 612 CG1 VAL A 110 -8.139 -3.828 14.410 1.00 0.00 C ATOM 613 CG2 VAL A 110 -6.604 -2.160 13.342 1.00 0.00 C ATOM 0 H VAL A 110 -5.145 -4.184 11.317 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.752 -4.844 14.112 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.831 -3.569 12.319 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.906 -3.056 14.472 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.613 -4.801 14.279 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -7.552 -3.831 15.329 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.392 -1.411 13.420 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.975 -2.118 14.231 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.998 -1.959 12.459 1.00 0.00 H new ATOM 623 N LYS A 111 -7.688 -6.476 13.221 1.00 0.00 N ATOM 624 CA LYS A 111 -8.348 -7.690 12.755 1.00 0.00 C ATOM 625 C LYS A 111 -8.473 -7.691 11.235 1.00 0.00 C ATOM 626 O LYS A 111 -7.741 -8.398 10.543 1.00 0.00 O ATOM 627 CB LYS A 111 -9.733 -7.818 13.392 1.00 0.00 C ATOM 628 CG LYS A 111 -9.725 -8.546 14.725 1.00 0.00 C ATOM 629 CD LYS A 111 -9.075 -7.708 15.813 1.00 0.00 C ATOM 630 CE LYS A 111 -7.576 -7.955 15.886 1.00 0.00 C ATOM 631 NZ LYS A 111 -7.261 -9.290 16.465 1.00 0.00 N ATOM 0 H LYS A 111 -8.021 -6.135 14.123 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.738 -8.543 13.052 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.152 -6.822 13.534 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.393 -8.346 12.703 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.747 -8.790 15.014 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -9.189 -9.490 14.622 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.262 -6.652 15.620 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.531 -7.942 16.775 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -7.147 -7.882 14.887 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.109 -7.178 16.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.265 -9.312 16.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -7.874 -9.465 17.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -7.424 -10.026 15.749 1.00 0.00 H new ATOM 645 N ASP A 112 -9.405 -6.895 10.722 1.00 0.00 N ATOM 646 CA ASP A 112 -9.624 -6.803 9.283 1.00 0.00 C ATOM 647 C ASP A 112 -9.488 -5.361 8.804 1.00 0.00 C ATOM 648 O ASP A 112 -9.917 -5.019 7.702 1.00 0.00 O ATOM 649 CB ASP A 112 -11.007 -7.345 8.921 1.00 0.00 C ATOM 650 CG ASP A 112 -11.020 -8.855 8.787 1.00 0.00 C ATOM 651 OD1 ASP A 112 -10.650 -9.541 9.763 1.00 0.00 O ATOM 652 OD2 ASP A 112 -11.400 -9.351 7.706 1.00 0.00 O ATOM 0 H ASP A 112 -10.021 -6.304 11.281 1.00 0.00 H new ATOM 0 HA ASP A 112 -8.864 -7.406 8.785 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -11.723 -7.045 9.686 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -11.336 -6.897 7.983 1.00 0.00 H new ATOM 657 N TYR A 113 -8.890 -4.519 9.640 1.00 0.00 N ATOM 658 CA TYR A 113 -8.701 -3.113 9.303 1.00 0.00 C ATOM 659 C TYR A 113 -7.333 -2.621 9.767 1.00 0.00 C ATOM 660 O TYR A 113 -6.600 -3.340 10.445 1.00 0.00 O ATOM 661 CB TYR A 113 -9.803 -2.263 9.938 1.00 0.00 C ATOM 662 CG TYR A 113 -10.301 -2.804 11.258 1.00 0.00 C ATOM 663 CD1 TYR A 113 -10.938 -4.037 11.329 1.00 0.00 C ATOM 664 CD2 TYR A 113 -10.137 -2.084 12.434 1.00 0.00 C ATOM 665 CE1 TYR A 113 -11.396 -4.536 12.533 1.00 0.00 C ATOM 666 CE2 TYR A 113 -10.590 -2.575 13.643 1.00 0.00 C ATOM 667 CZ TYR A 113 -11.220 -3.802 13.687 1.00 0.00 C ATOM 668 OH TYR A 113 -11.674 -4.295 14.889 1.00 0.00 O ATOM 0 H TYR A 113 -8.528 -4.786 10.556 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.754 -3.015 8.219 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -9.428 -1.251 10.088 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -10.641 -2.193 9.244 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -11.077 -4.615 10.427 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.646 -1.122 12.403 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -11.889 -5.496 12.570 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -10.452 -2.002 14.548 1.00 0.00 H new ATOM 0 HH TYR A 113 -11.470 -3.655 15.603 1.00 0.00 H new ATOM 678 N ALA A 114 -6.997 -1.390 9.395 1.00 0.00 N ATOM 679 CA ALA A 114 -5.719 -0.800 9.774 1.00 0.00 C ATOM 680 C ALA A 114 -5.786 0.723 9.737 1.00 0.00 C ATOM 681 O ALA A 114 -6.787 1.301 9.313 1.00 0.00 O ATOM 682 CB ALA A 114 -4.613 -1.304 8.859 1.00 0.00 C ATOM 0 H ALA A 114 -7.592 -0.782 8.832 1.00 0.00 H new ATOM 0 HA ALA A 114 -5.495 -1.103 10.797 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.664 -0.855 9.154 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.541 -2.389 8.938 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.840 -1.030 7.829 1.00 0.00 H new ATOM 688 N PHE A 115 -4.714 1.368 10.184 1.00 0.00 N ATOM 689 CA PHE A 115 -4.651 2.825 10.204 1.00 0.00 C ATOM 690 C PHE A 115 -3.223 3.312 9.976 1.00 0.00 C ATOM 691 O PHE A 115 -2.338 3.084 10.800 1.00 0.00 O ATOM 692 CB PHE A 115 -5.177 3.361 11.537 1.00 0.00 C ATOM 693 CG PHE A 115 -6.587 2.938 11.839 1.00 0.00 C ATOM 694 CD1 PHE A 115 -6.846 1.697 12.398 1.00 0.00 C ATOM 695 CD2 PHE A 115 -7.651 3.781 11.565 1.00 0.00 C ATOM 696 CE1 PHE A 115 -8.142 1.305 12.676 1.00 0.00 C ATOM 697 CE2 PHE A 115 -8.949 3.395 11.841 1.00 0.00 C ATOM 698 CZ PHE A 115 -9.195 2.156 12.399 1.00 0.00 C ATOM 0 H PHE A 115 -3.877 0.905 10.537 1.00 0.00 H new ATOM 0 HA PHE A 115 -5.278 3.201 9.395 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.524 3.019 12.340 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -5.127 4.450 11.527 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -6.027 1.029 12.619 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -7.464 4.752 11.130 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.332 0.334 13.109 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.770 4.061 11.621 1.00 0.00 H new ATOM 0 HZ PHE A 115 -10.208 1.853 12.618 1.00 0.00 H new ATOM 708 N VAL A 116 -3.006 3.982 8.849 1.00 0.00 N ATOM 709 CA VAL A 116 -1.687 4.502 8.510 1.00 0.00 C ATOM 710 C VAL A 116 -1.623 6.012 8.708 1.00 0.00 C ATOM 711 O VAL A 116 -2.250 6.773 7.970 1.00 0.00 O ATOM 712 CB VAL A 116 -1.309 4.170 7.054 1.00 0.00 C ATOM 713 CG1 VAL A 116 0.037 4.782 6.699 1.00 0.00 C ATOM 714 CG2 VAL A 116 -1.293 2.664 6.839 1.00 0.00 C ATOM 0 H VAL A 116 -3.727 4.178 8.155 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.976 4.020 9.181 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.062 4.601 6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.287 4.537 5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.014 5.865 6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 116 0.804 4.384 7.363 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.024 2.447 5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.562 2.209 7.507 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -2.281 2.256 7.050 1.00 0.00 H new ATOM 724 N HIS A 117 -0.861 6.441 9.710 1.00 0.00 N ATOM 725 CA HIS A 117 -0.715 7.862 10.005 1.00 0.00 C ATOM 726 C HIS A 117 0.358 8.492 9.121 1.00 0.00 C ATOM 727 O HIS A 117 1.543 8.192 9.258 1.00 0.00 O ATOM 728 CB HIS A 117 -0.362 8.065 11.478 1.00 0.00 C ATOM 729 CG HIS A 117 -0.864 9.358 12.042 1.00 0.00 C ATOM 730 ND1 HIS A 117 -1.621 9.434 13.192 1.00 0.00 N ATOM 731 CD2 HIS A 117 -0.713 10.631 11.608 1.00 0.00 C ATOM 732 CE1 HIS A 117 -1.914 10.698 13.441 1.00 0.00 C ATOM 733 NE2 HIS A 117 -1.375 11.445 12.494 1.00 0.00 N ATOM 0 H HIS A 117 -0.336 5.825 10.331 1.00 0.00 H new ATOM 0 HA HIS A 117 -1.667 8.351 9.797 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -0.775 7.240 12.059 1.00 0.00 H new ATOM 0 HB3 HIS A 117 0.721 8.025 11.592 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -0.172 10.948 10.728 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -2.495 11.059 14.277 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -1.440 12.461 12.431 1.00 0.00 H new ATOM 742 N MET A 118 -0.068 9.366 8.215 1.00 0.00 N ATOM 743 CA MET A 118 0.856 10.039 7.309 1.00 0.00 C ATOM 744 C MET A 118 1.261 11.403 7.860 1.00 0.00 C ATOM 745 O MET A 118 0.605 11.942 8.750 1.00 0.00 O ATOM 746 CB MET A 118 0.221 10.203 5.927 1.00 0.00 C ATOM 747 CG MET A 118 0.486 9.032 4.995 1.00 0.00 C ATOM 748 SD MET A 118 2.245 8.722 4.750 1.00 0.00 S ATOM 749 CE MET A 118 2.255 8.150 3.052 1.00 0.00 C ATOM 0 H MET A 118 -1.046 9.625 8.089 1.00 0.00 H new ATOM 0 HA MET A 118 1.750 9.423 7.219 1.00 0.00 H new ATOM 0 HB2 MET A 118 -0.856 10.328 6.043 1.00 0.00 H new ATOM 0 HB3 MET A 118 0.600 11.116 5.468 1.00 0.00 H new ATOM 0 HG2 MET A 118 0.017 8.136 5.401 1.00 0.00 H new ATOM 0 HG3 MET A 118 0.018 9.228 4.030 1.00 0.00 H new ATOM 0 HE1 MET A 118 3.254 7.800 2.792 1.00 0.00 H new ATOM 0 HE2 MET A 118 1.543 7.332 2.939 1.00 0.00 H new ATOM 0 HE3 MET A 118 1.974 8.969 2.390 1.00 0.00 H new ATOM 759 N GLU A 119 2.346 11.954 7.325 1.00 0.00 N ATOM 760 CA GLU A 119 2.838 13.254 7.765 1.00 0.00 C ATOM 761 C GLU A 119 2.206 14.379 6.951 1.00 0.00 C ATOM 762 O GLU A 119 1.598 15.295 7.505 1.00 0.00 O ATOM 763 CB GLU A 119 4.362 13.315 7.644 1.00 0.00 C ATOM 764 CG GLU A 119 4.986 14.483 8.390 1.00 0.00 C ATOM 765 CD GLU A 119 5.288 14.155 9.839 1.00 0.00 C ATOM 766 OE1 GLU A 119 5.795 13.045 10.104 1.00 0.00 O ATOM 767 OE2 GLU A 119 5.016 15.009 10.709 1.00 0.00 O ATOM 0 H GLU A 119 2.901 11.521 6.587 1.00 0.00 H new ATOM 0 HA GLU A 119 2.559 13.385 8.810 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.786 12.385 8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.632 13.382 6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 119 5.908 14.779 7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.312 15.338 8.348 1.00 0.00 H new ATOM 774 N ARG A 120 2.356 14.303 5.632 1.00 0.00 N ATOM 775 CA ARG A 120 1.801 15.315 4.741 1.00 0.00 C ATOM 776 C ARG A 120 0.558 14.790 4.028 1.00 0.00 C ATOM 777 O ARG A 120 0.459 13.601 3.728 1.00 0.00 O ATOM 778 CB ARG A 120 2.848 15.747 3.712 1.00 0.00 C ATOM 779 CG ARG A 120 4.121 16.299 4.333 1.00 0.00 C ATOM 780 CD ARG A 120 5.145 16.666 3.270 1.00 0.00 C ATOM 781 NE ARG A 120 6.508 16.653 3.796 1.00 0.00 N ATOM 782 CZ ARG A 120 7.556 17.124 3.131 1.00 0.00 C ATOM 783 NH1 ARG A 120 7.400 17.644 1.921 1.00 0.00 N ATOM 784 NH2 ARG A 120 8.765 17.078 3.677 1.00 0.00 N ATOM 0 H ARG A 120 2.857 13.552 5.157 1.00 0.00 H new ATOM 0 HA ARG A 120 1.515 16.177 5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.101 14.893 3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.413 16.505 3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.884 17.179 4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.547 15.559 5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 120 5.071 15.966 2.438 1.00 0.00 H new ATOM 0 HD3 ARG A 120 4.918 17.656 2.875 1.00 0.00 H new ATOM 0 HE ARG A 120 6.663 16.261 4.725 1.00 0.00 H new ATOM 0 HH11 ARG A 120 6.472 17.683 1.498 1.00 0.00 H new ATOM 0 HH12 ARG A 120 8.208 18.005 1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 120 8.889 16.681 4.608 1.00 0.00 H new ATOM 0 HH22 ARG A 120 9.570 17.440 3.165 1.00 0.00 H new ATOM 798 N ALA A 121 -0.387 15.686 3.762 1.00 0.00 N ATOM 799 CA ALA A 121 -1.622 15.313 3.084 1.00 0.00 C ATOM 800 C ALA A 121 -1.349 14.866 1.652 1.00 0.00 C ATOM 801 O ALA A 121 -1.794 13.799 1.230 1.00 0.00 O ATOM 802 CB ALA A 121 -2.603 16.476 3.098 1.00 0.00 C ATOM 0 H ALA A 121 -0.321 16.674 4.006 1.00 0.00 H new ATOM 0 HA ALA A 121 -2.063 14.473 3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.521 16.184 2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.831 16.747 4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.161 17.331 2.587 1.00 0.00 H new ATOM 808 N GLU A 122 -0.617 15.690 0.909 1.00 0.00 N ATOM 809 CA GLU A 122 -0.287 15.379 -0.477 1.00 0.00 C ATOM 810 C GLU A 122 0.118 13.915 -0.624 1.00 0.00 C ATOM 811 O GLU A 122 -0.179 13.277 -1.634 1.00 0.00 O ATOM 812 CB GLU A 122 0.844 16.284 -0.971 1.00 0.00 C ATOM 813 CG GLU A 122 0.501 17.764 -0.929 1.00 0.00 C ATOM 814 CD GLU A 122 1.219 18.560 -2.002 1.00 0.00 C ATOM 815 OE1 GLU A 122 0.778 18.512 -3.170 1.00 0.00 O ATOM 816 OE2 GLU A 122 2.220 19.230 -1.675 1.00 0.00 O ATOM 0 H GLU A 122 -0.241 16.577 1.243 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.175 15.556 -1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 122 1.731 16.108 -0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 122 1.099 16.007 -1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -0.575 17.887 -1.049 1.00 0.00 H new ATOM 0 HG3 GLU A 122 0.760 18.166 0.051 1.00 0.00 H new ATOM 823 N ASP A 123 0.797 13.390 0.390 1.00 0.00 N ATOM 824 CA ASP A 123 1.242 12.002 0.374 1.00 0.00 C ATOM 825 C ASP A 123 0.118 11.066 0.807 1.00 0.00 C ATOM 826 O ASP A 123 -0.089 10.011 0.208 1.00 0.00 O ATOM 827 CB ASP A 123 2.453 11.823 1.291 1.00 0.00 C ATOM 828 CG ASP A 123 3.708 12.459 0.725 1.00 0.00 C ATOM 829 OD1 ASP A 123 3.822 12.542 -0.515 1.00 0.00 O ATOM 830 OD2 ASP A 123 4.576 12.872 1.523 1.00 0.00 O ATOM 0 H ASP A 123 1.051 13.905 1.233 1.00 0.00 H new ATOM 0 HA ASP A 123 1.528 11.749 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.235 12.261 2.265 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.629 10.759 1.452 1.00 0.00 H new ATOM 835 N ALA A 124 -0.604 11.459 1.851 1.00 0.00 N ATOM 836 CA ALA A 124 -1.707 10.656 2.363 1.00 0.00 C ATOM 837 C ALA A 124 -2.794 10.479 1.307 1.00 0.00 C ATOM 838 O ALA A 124 -3.120 9.357 0.920 1.00 0.00 O ATOM 839 CB ALA A 124 -2.287 11.294 3.617 1.00 0.00 C ATOM 0 H ALA A 124 -0.445 12.329 2.359 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.318 9.670 2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.110 10.684 3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.513 11.363 4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.654 12.293 3.381 1.00 0.00 H new ATOM 845 N VAL A 125 -3.351 11.594 0.845 1.00 0.00 N ATOM 846 CA VAL A 125 -4.400 11.562 -0.167 1.00 0.00 C ATOM 847 C VAL A 125 -4.008 10.667 -1.337 1.00 0.00 C ATOM 848 O VAL A 125 -4.846 9.963 -1.900 1.00 0.00 O ATOM 849 CB VAL A 125 -4.712 12.974 -0.697 1.00 0.00 C ATOM 850 CG1 VAL A 125 -5.697 12.905 -1.854 1.00 0.00 C ATOM 851 CG2 VAL A 125 -5.251 13.855 0.420 1.00 0.00 C ATOM 0 H VAL A 125 -3.093 12.531 1.156 1.00 0.00 H new ATOM 0 HA VAL A 125 -5.291 11.157 0.313 1.00 0.00 H new ATOM 0 HB VAL A 125 -3.787 13.417 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -5.905 13.912 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -5.269 12.311 -2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -6.624 12.442 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -5.466 14.849 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -6.166 13.417 0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -4.508 13.931 1.214 1.00 0.00 H new ATOM 861 N GLU A 126 -2.729 10.699 -1.697 1.00 0.00 N ATOM 862 CA GLU A 126 -2.226 9.891 -2.802 1.00 0.00 C ATOM 863 C GLU A 126 -2.168 8.416 -2.413 1.00 0.00 C ATOM 864 O GLU A 126 -2.640 7.550 -3.150 1.00 0.00 O ATOM 865 CB GLU A 126 -0.838 10.373 -3.226 1.00 0.00 C ATOM 866 CG GLU A 126 -0.869 11.513 -4.230 1.00 0.00 C ATOM 867 CD GLU A 126 0.397 11.595 -5.060 1.00 0.00 C ATOM 868 OE1 GLU A 126 1.489 11.711 -4.467 1.00 0.00 O ATOM 869 OE2 GLU A 126 0.294 11.542 -6.304 1.00 0.00 O ATOM 0 H GLU A 126 -2.022 11.275 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 126 -2.912 10.002 -3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.288 10.694 -2.341 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.288 9.536 -3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.725 11.385 -4.892 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -1.013 12.455 -3.700 1.00 0.00 H new ATOM 876 N ALA A 127 -1.585 8.139 -1.252 1.00 0.00 N ATOM 877 CA ALA A 127 -1.465 6.770 -0.765 1.00 0.00 C ATOM 878 C ALA A 127 -2.804 6.044 -0.833 1.00 0.00 C ATOM 879 O ALA A 127 -2.853 4.814 -0.869 1.00 0.00 O ATOM 880 CB ALA A 127 -0.931 6.762 0.660 1.00 0.00 C ATOM 0 H ALA A 127 -1.188 8.844 -0.631 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.761 6.242 -1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -0.846 5.734 1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.051 7.235 0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -1.614 7.311 1.308 1.00 0.00 H new ATOM 886 N ILE A 128 -3.888 6.812 -0.851 1.00 0.00 N ATOM 887 CA ILE A 128 -5.228 6.241 -0.916 1.00 0.00 C ATOM 888 C ILE A 128 -5.645 5.981 -2.359 1.00 0.00 C ATOM 889 O ILE A 128 -5.837 4.834 -2.764 1.00 0.00 O ATOM 890 CB ILE A 128 -6.266 7.164 -0.251 1.00 0.00 C ATOM 891 CG1 ILE A 128 -5.957 7.327 1.238 1.00 0.00 C ATOM 892 CG2 ILE A 128 -7.670 6.611 -0.449 1.00 0.00 C ATOM 893 CD1 ILE A 128 -6.763 8.419 1.907 1.00 0.00 C ATOM 0 H ILE A 128 -3.865 7.831 -0.821 1.00 0.00 H new ATOM 0 HA ILE A 128 -5.195 5.296 -0.374 1.00 0.00 H new ATOM 0 HB ILE A 128 -6.213 8.145 -0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.149 6.382 1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -4.896 7.544 1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -8.393 7.274 0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -7.887 6.542 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.737 5.620 -0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -6.492 8.478 2.961 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -6.553 9.374 1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -7.826 8.193 1.818 1.00 0.00 H new ATOM 905 N ARG A 129 -5.783 7.053 -3.132 1.00 0.00 N ATOM 906 CA ARG A 129 -6.177 6.941 -4.531 1.00 0.00 C ATOM 907 C ARG A 129 -5.362 5.864 -5.241 1.00 0.00 C ATOM 908 O ARG A 129 -5.763 5.357 -6.288 1.00 0.00 O ATOM 909 CB ARG A 129 -5.998 8.284 -5.243 1.00 0.00 C ATOM 910 CG ARG A 129 -6.983 8.508 -6.378 1.00 0.00 C ATOM 911 CD ARG A 129 -6.742 9.840 -7.070 1.00 0.00 C ATOM 912 NE ARG A 129 -7.888 10.254 -7.876 1.00 0.00 N ATOM 913 CZ ARG A 129 -9.014 10.733 -7.360 1.00 0.00 C ATOM 914 NH1 ARG A 129 -9.145 10.859 -6.047 1.00 0.00 N ATOM 915 NH2 ARG A 129 -10.013 11.088 -8.159 1.00 0.00 N ATOM 0 H ARG A 129 -5.628 8.009 -2.813 1.00 0.00 H new ATOM 0 HA ARG A 129 -7.229 6.657 -4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.106 9.088 -4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -4.983 8.344 -5.637 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.894 7.699 -7.103 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -8.001 8.478 -5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -6.530 10.604 -6.322 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -5.860 9.764 -7.706 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.820 10.171 -8.890 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -8.380 10.588 -5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -10.011 11.227 -5.654 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -9.916 10.993 -9.170 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -10.878 11.456 -7.762 1.00 0.00 H new ATOM 929 N GLY A 130 -4.215 5.520 -4.663 1.00 0.00 N ATOM 930 CA GLY A 130 -3.361 4.507 -5.254 1.00 0.00 C ATOM 931 C GLY A 130 -3.532 3.150 -4.599 1.00 0.00 C ATOM 932 O GLY A 130 -3.565 2.124 -5.278 1.00 0.00 O ATOM 0 H GLY A 130 -3.862 5.925 -3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.584 4.424 -6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -2.320 4.819 -5.169 1.00 0.00 H new ATOM 936 N LEU A 131 -3.640 3.145 -3.275 1.00 0.00 N ATOM 937 CA LEU A 131 -3.807 1.904 -2.526 1.00 0.00 C ATOM 938 C LEU A 131 -5.284 1.587 -2.320 1.00 0.00 C ATOM 939 O LEU A 131 -5.633 0.611 -1.655 1.00 0.00 O ATOM 940 CB LEU A 131 -3.101 2.003 -1.173 1.00 0.00 C ATOM 941 CG LEU A 131 -1.613 2.351 -1.216 1.00 0.00 C ATOM 942 CD1 LEU A 131 -1.051 2.469 0.193 1.00 0.00 C ATOM 943 CD2 LEU A 131 -0.843 1.308 -2.013 1.00 0.00 C ATOM 0 H LEU A 131 -3.615 3.986 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.359 1.096 -3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.612 2.756 -0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -3.216 1.051 -0.655 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.500 3.315 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.009 2.717 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.582 3.254 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.177 1.521 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.214 1.573 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.964 0.331 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.227 1.273 -3.032 1.00 0.00 H new ATOM 955 N ASP A 132 -6.148 2.416 -2.896 1.00 0.00 N ATOM 956 CA ASP A 132 -7.588 2.222 -2.778 1.00 0.00 C ATOM 957 C ASP A 132 -8.046 1.030 -3.612 1.00 0.00 C ATOM 958 O ASP A 132 -7.929 1.035 -4.837 1.00 0.00 O ATOM 959 CB ASP A 132 -8.332 3.484 -3.218 1.00 0.00 C ATOM 960 CG ASP A 132 -8.140 3.785 -4.692 1.00 0.00 C ATOM 961 OD1 ASP A 132 -7.004 3.625 -5.188 1.00 0.00 O ATOM 962 OD2 ASP A 132 -9.126 4.178 -5.350 1.00 0.00 O ATOM 0 H ASP A 132 -5.876 3.229 -3.449 1.00 0.00 H new ATOM 0 HA ASP A 132 -7.818 2.020 -1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -9.395 3.367 -3.010 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -7.983 4.332 -2.629 1.00 0.00 H new ATOM 967 N ASN A 133 -8.568 0.009 -2.940 1.00 0.00 N ATOM 968 CA ASN A 133 -9.042 -1.191 -3.619 1.00 0.00 C ATOM 969 C ASN A 133 -7.902 -1.883 -4.360 1.00 0.00 C ATOM 970 O ASN A 133 -8.031 -2.233 -5.534 1.00 0.00 O ATOM 971 CB ASN A 133 -10.163 -0.839 -4.598 1.00 0.00 C ATOM 972 CG ASN A 133 -11.509 -0.708 -3.913 1.00 0.00 C ATOM 973 OD1 ASN A 133 -12.463 -1.407 -4.256 1.00 0.00 O ATOM 974 ND2 ASN A 133 -11.593 0.190 -2.939 1.00 0.00 N ATOM 0 H ASN A 133 -8.673 -0.011 -1.926 1.00 0.00 H new ATOM 0 HA ASN A 133 -9.430 -1.876 -2.865 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -9.922 0.098 -5.101 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -10.224 -1.608 -5.368 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -12.474 0.322 -2.442 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -10.777 0.748 -2.688 1.00 0.00 H new ATOM 981 N THR A 134 -6.784 -2.078 -3.667 1.00 0.00 N ATOM 982 CA THR A 134 -5.621 -2.727 -4.259 1.00 0.00 C ATOM 983 C THR A 134 -5.360 -4.083 -3.612 1.00 0.00 C ATOM 984 O THR A 134 -5.129 -4.171 -2.407 1.00 0.00 O ATOM 985 CB THR A 134 -4.360 -1.854 -4.122 1.00 0.00 C ATOM 986 OG1 THR A 134 -4.166 -1.485 -2.752 1.00 0.00 O ATOM 987 CG2 THR A 134 -4.473 -0.601 -4.978 1.00 0.00 C ATOM 0 H THR A 134 -6.660 -1.795 -2.695 1.00 0.00 H new ATOM 0 HA THR A 134 -5.842 -2.869 -5.317 1.00 0.00 H new ATOM 0 HB THR A 134 -3.504 -2.435 -4.467 1.00 0.00 H new ATOM 0 HG1 THR A 134 -4.851 -0.835 -2.488 1.00 0.00 H new ATOM 0 HG21 THR A 134 -3.571 -0.000 -4.865 1.00 0.00 H new ATOM 0 HG22 THR A 134 -4.591 -0.884 -6.024 1.00 0.00 H new ATOM 0 HG23 THR A 134 -5.338 -0.020 -4.659 1.00 0.00 H new ATOM 995 N GLU A 135 -5.396 -5.136 -4.422 1.00 0.00 N ATOM 996 CA GLU A 135 -5.163 -6.488 -3.927 1.00 0.00 C ATOM 997 C GLU A 135 -3.887 -6.549 -3.093 1.00 0.00 C ATOM 998 O GLU A 135 -2.780 -6.567 -3.631 1.00 0.00 O ATOM 999 CB GLU A 135 -5.070 -7.473 -5.094 1.00 0.00 C ATOM 1000 CG GLU A 135 -5.015 -8.928 -4.659 1.00 0.00 C ATOM 1001 CD GLU A 135 -4.785 -9.876 -5.820 1.00 0.00 C ATOM 1002 OE1 GLU A 135 -5.778 -10.286 -6.456 1.00 0.00 O ATOM 1003 OE2 GLU A 135 -3.612 -10.208 -6.092 1.00 0.00 O ATOM 0 H GLU A 135 -5.584 -5.079 -5.423 1.00 0.00 H new ATOM 0 HA GLU A 135 -6.005 -6.766 -3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -5.930 -7.330 -5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -4.181 -7.244 -5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -4.217 -9.055 -3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -5.948 -9.190 -4.161 1.00 0.00 H new ATOM 1010 N PHE A 136 -4.050 -6.579 -1.774 1.00 0.00 N ATOM 1011 CA PHE A 136 -2.912 -6.636 -0.864 1.00 0.00 C ATOM 1012 C PHE A 136 -2.835 -7.994 -0.173 1.00 0.00 C ATOM 1013 O PHE A 136 -3.809 -8.455 0.421 1.00 0.00 O ATOM 1014 CB PHE A 136 -3.012 -5.524 0.182 1.00 0.00 C ATOM 1015 CG PHE A 136 -1.762 -5.353 0.997 1.00 0.00 C ATOM 1016 CD1 PHE A 136 -0.516 -5.381 0.392 1.00 0.00 C ATOM 1017 CD2 PHE A 136 -1.833 -5.164 2.368 1.00 0.00 C ATOM 1018 CE1 PHE A 136 0.636 -5.225 1.140 1.00 0.00 C ATOM 1019 CE2 PHE A 136 -0.684 -5.006 3.120 1.00 0.00 C ATOM 1020 CZ PHE A 136 0.552 -5.036 2.505 1.00 0.00 C ATOM 0 H PHE A 136 -4.959 -6.565 -1.312 1.00 0.00 H new ATOM 0 HA PHE A 136 -2.004 -6.494 -1.449 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.240 -4.584 -0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.845 -5.739 0.851 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -0.444 -5.526 -0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -2.797 -5.140 2.854 1.00 0.00 H new ATOM 0 HE1 PHE A 136 1.601 -5.251 0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -0.753 -4.859 4.188 1.00 0.00 H new ATOM 0 HZ PHE A 136 1.451 -4.912 3.091 1.00 0.00 H new ATOM 1030 N GLN A 137 -1.671 -8.630 -0.258 1.00 0.00 N ATOM 1031 CA GLN A 137 -1.467 -9.936 0.357 1.00 0.00 C ATOM 1032 C GLN A 137 -2.510 -10.936 -0.131 1.00 0.00 C ATOM 1033 O GLN A 137 -2.858 -11.881 0.576 1.00 0.00 O ATOM 1034 CB GLN A 137 -1.529 -9.820 1.881 1.00 0.00 C ATOM 1035 CG GLN A 137 -0.610 -8.751 2.448 1.00 0.00 C ATOM 1036 CD GLN A 137 -0.151 -9.063 3.859 1.00 0.00 C ATOM 1037 OE1 GLN A 137 -0.817 -9.794 4.593 1.00 0.00 O ATOM 1038 NE2 GLN A 137 0.993 -8.510 4.246 1.00 0.00 N ATOM 0 H GLN A 137 -0.855 -8.262 -0.747 1.00 0.00 H new ATOM 0 HA GLN A 137 -0.480 -10.297 0.066 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.554 -9.601 2.179 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -1.268 -10.782 2.321 1.00 0.00 H new ATOM 0 HG2 GLN A 137 0.261 -8.646 1.802 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -1.128 -7.792 2.442 1.00 0.00 H new ATOM 0 HE21 GLN A 137 1.512 -7.911 3.605 1.00 0.00 H new ATOM 0 HE22 GLN A 137 1.352 -8.685 5.185 1.00 0.00 H new ATOM 1047 N GLY A 138 -3.005 -10.722 -1.347 1.00 0.00 N ATOM 1048 CA GLY A 138 -4.003 -11.613 -1.909 1.00 0.00 C ATOM 1049 C GLY A 138 -5.406 -11.045 -1.815 1.00 0.00 C ATOM 1050 O GLY A 138 -6.219 -11.226 -2.721 1.00 0.00 O ATOM 0 H GLY A 138 -2.732 -9.948 -1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -3.763 -11.809 -2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -3.966 -12.570 -1.388 1.00 0.00 H new ATOM 1054 N LYS A 139 -5.691 -10.356 -0.715 1.00 0.00 N ATOM 1055 CA LYS A 139 -7.005 -9.759 -0.505 1.00 0.00 C ATOM 1056 C LYS A 139 -6.956 -8.249 -0.711 1.00 0.00 C ATOM 1057 O LYS A 139 -6.002 -7.587 -0.300 1.00 0.00 O ATOM 1058 CB LYS A 139 -7.512 -10.076 0.904 1.00 0.00 C ATOM 1059 CG LYS A 139 -6.499 -9.780 1.996 1.00 0.00 C ATOM 1060 CD LYS A 139 -7.075 -10.041 3.377 1.00 0.00 C ATOM 1061 CE LYS A 139 -7.184 -11.531 3.663 1.00 0.00 C ATOM 1062 NZ LYS A 139 -8.310 -11.838 4.589 1.00 0.00 N ATOM 0 H LYS A 139 -5.030 -10.197 0.045 1.00 0.00 H new ATOM 0 HA LYS A 139 -7.691 -10.185 -1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -8.417 -9.499 1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -7.789 -11.129 0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -5.613 -10.397 1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -6.179 -8.740 1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -6.444 -9.570 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.060 -9.582 3.454 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -7.326 -12.071 2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -6.250 -11.887 4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -8.350 -12.863 4.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -8.162 -11.343 5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -9.205 -11.522 4.164 1.00 0.00 H new ATOM 1076 N ARG A 140 -7.990 -7.709 -1.349 1.00 0.00 N ATOM 1077 CA ARG A 140 -8.064 -6.277 -1.609 1.00 0.00 C ATOM 1078 C ARG A 140 -8.584 -5.528 -0.385 1.00 0.00 C ATOM 1079 O ARG A 140 -9.575 -5.928 0.224 1.00 0.00 O ATOM 1080 CB ARG A 140 -8.969 -6.001 -2.811 1.00 0.00 C ATOM 1081 CG ARG A 140 -9.265 -4.526 -3.025 1.00 0.00 C ATOM 1082 CD ARG A 140 -10.509 -4.325 -3.877 1.00 0.00 C ATOM 1083 NE ARG A 140 -11.680 -4.978 -3.299 1.00 0.00 N ATOM 1084 CZ ARG A 140 -12.811 -5.184 -3.965 1.00 0.00 C ATOM 1085 NH1 ARG A 140 -12.922 -4.791 -5.226 1.00 0.00 N ATOM 1086 NH2 ARG A 140 -13.833 -5.785 -3.369 1.00 0.00 N ATOM 0 H ARG A 140 -8.788 -8.242 -1.695 1.00 0.00 H new ATOM 0 HA ARG A 140 -7.058 -5.921 -1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.499 -6.402 -3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.909 -6.536 -2.677 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.401 -4.037 -2.060 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.412 -4.049 -3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -10.705 -3.258 -3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -10.331 -4.720 -4.877 1.00 0.00 H new ATOM 0 HE ARG A 140 -11.627 -5.293 -2.330 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -12.138 -4.329 -5.687 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -13.791 -4.950 -5.735 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -13.751 -6.089 -2.399 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -14.701 -5.943 -3.881 1.00 0.00 H new ATOM 1100 N MET A 141 -7.906 -4.441 -0.031 1.00 0.00 N ATOM 1101 CA MET A 141 -8.301 -3.636 1.119 1.00 0.00 C ATOM 1102 C MET A 141 -8.761 -2.249 0.681 1.00 0.00 C ATOM 1103 O MET A 141 -8.268 -1.705 -0.307 1.00 0.00 O ATOM 1104 CB MET A 141 -7.137 -3.513 2.105 1.00 0.00 C ATOM 1105 CG MET A 141 -5.786 -3.336 1.431 1.00 0.00 C ATOM 1106 SD MET A 141 -5.601 -1.716 0.660 1.00 0.00 S ATOM 1107 CE MET A 141 -4.008 -1.213 1.308 1.00 0.00 C ATOM 0 H MET A 141 -7.081 -4.098 -0.523 1.00 0.00 H new ATOM 0 HA MET A 141 -9.135 -4.136 1.612 1.00 0.00 H new ATOM 0 HB2 MET A 141 -7.319 -2.665 2.765 1.00 0.00 H new ATOM 0 HB3 MET A 141 -7.107 -4.404 2.732 1.00 0.00 H new ATOM 0 HG2 MET A 141 -4.995 -3.476 2.168 1.00 0.00 H new ATOM 0 HG3 MET A 141 -5.657 -4.111 0.675 1.00 0.00 H new ATOM 0 HE1 MET A 141 -3.466 -0.652 0.547 1.00 0.00 H new ATOM 0 HE2 MET A 141 -4.155 -0.584 2.186 1.00 0.00 H new ATOM 0 HE3 MET A 141 -3.433 -2.096 1.586 1.00 0.00 H new ATOM 1117 N HIS A 142 -9.708 -1.683 1.422 1.00 0.00 N ATOM 1118 CA HIS A 142 -10.234 -0.359 1.110 1.00 0.00 C ATOM 1119 C HIS A 142 -9.537 0.713 1.942 1.00 0.00 C ATOM 1120 O HIS A 142 -9.565 0.674 3.172 1.00 0.00 O ATOM 1121 CB HIS A 142 -11.742 -0.314 1.359 1.00 0.00 C ATOM 1122 CG HIS A 142 -12.533 -1.141 0.392 1.00 0.00 C ATOM 1123 ND1 HIS A 142 -13.844 -0.866 0.064 1.00 0.00 N ATOM 1124 CD2 HIS A 142 -12.191 -2.240 -0.320 1.00 0.00 C ATOM 1125 CE1 HIS A 142 -14.274 -1.762 -0.806 1.00 0.00 C ATOM 1126 NE2 HIS A 142 -13.290 -2.607 -1.056 1.00 0.00 N ATOM 0 H HIS A 142 -10.127 -2.120 2.243 1.00 0.00 H new ATOM 0 HA HIS A 142 -10.041 -0.158 0.056 1.00 0.00 H new ATOM 0 HB2 HIS A 142 -11.945 -0.661 2.372 1.00 0.00 H new ATOM 0 HB3 HIS A 142 -12.081 0.720 1.302 1.00 0.00 H new ATOM 0 HD2 HIS A 142 -11.232 -2.736 -0.311 1.00 0.00 H new ATOM 0 HE1 HIS A 142 -15.263 -1.798 -1.239 1.00 0.00 H new ATOM 0 HE2 HIS A 142 -13.339 -3.403 -1.692 1.00 0.00 H new ATOM 1135 N VAL A 143 -8.910 1.669 1.263 1.00 0.00 N ATOM 1136 CA VAL A 143 -8.206 2.751 1.940 1.00 0.00 C ATOM 1137 C VAL A 143 -8.949 4.073 1.782 1.00 0.00 C ATOM 1138 O VAL A 143 -9.383 4.425 0.685 1.00 0.00 O ATOM 1139 CB VAL A 143 -6.773 2.913 1.399 1.00 0.00 C ATOM 1140 CG1 VAL A 143 -6.019 3.970 2.192 1.00 0.00 C ATOM 1141 CG2 VAL A 143 -6.037 1.582 1.437 1.00 0.00 C ATOM 0 H VAL A 143 -8.876 1.716 0.245 1.00 0.00 H new ATOM 0 HA VAL A 143 -8.160 2.487 2.996 1.00 0.00 H new ATOM 0 HB VAL A 143 -6.830 3.243 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -5.009 4.071 1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -6.538 4.925 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -5.970 3.673 3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -5.026 1.714 1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -5.989 1.222 2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -6.568 0.855 0.822 1.00 0.00 H new ATOM 1151 N GLN A 144 -9.091 4.801 2.885 1.00 0.00 N ATOM 1152 CA GLN A 144 -9.782 6.085 2.868 1.00 0.00 C ATOM 1153 C GLN A 144 -9.434 6.907 4.105 1.00 0.00 C ATOM 1154 O GLN A 144 -8.799 6.408 5.036 1.00 0.00 O ATOM 1155 CB GLN A 144 -11.295 5.873 2.791 1.00 0.00 C ATOM 1156 CG GLN A 144 -11.904 5.359 4.086 1.00 0.00 C ATOM 1157 CD GLN A 144 -13.286 4.769 3.887 1.00 0.00 C ATOM 1158 OE1 GLN A 144 -14.230 5.475 3.531 1.00 0.00 O ATOM 1159 NE2 GLN A 144 -13.413 3.467 4.116 1.00 0.00 N ATOM 0 H GLN A 144 -8.737 4.524 3.801 1.00 0.00 H new ATOM 0 HA GLN A 144 -9.454 6.634 1.985 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -11.772 6.816 2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -11.514 5.166 1.991 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -11.248 4.602 4.516 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -11.962 6.176 4.805 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -12.604 2.920 4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -14.320 3.014 3.998 1.00 0.00 H new ATOM 1168 N LEU A 145 -9.853 8.167 4.109 1.00 0.00 N ATOM 1169 CA LEU A 145 -9.585 9.059 5.232 1.00 0.00 C ATOM 1170 C LEU A 145 -10.204 8.518 6.517 1.00 0.00 C ATOM 1171 O LEU A 145 -11.400 8.230 6.568 1.00 0.00 O ATOM 1172 CB LEU A 145 -10.131 10.458 4.939 1.00 0.00 C ATOM 1173 CG LEU A 145 -9.180 11.411 4.215 1.00 0.00 C ATOM 1174 CD1 LEU A 145 -7.931 11.655 5.048 1.00 0.00 C ATOM 1175 CD2 LEU A 145 -8.811 10.858 2.846 1.00 0.00 C ATOM 0 H LEU A 145 -10.380 8.595 3.347 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.505 9.118 5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -11.036 10.355 4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -10.424 10.917 5.883 1.00 0.00 H new ATOM 0 HG LEU A 145 -9.689 12.364 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -7.266 12.336 4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -8.212 12.096 6.005 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -7.418 10.709 5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -8.134 11.549 2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -8.321 9.891 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -9.714 10.737 2.247 1.00 0.00 H new