USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 667 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 Single : A 10 LYS NZ :NH3+ -128:sc= -1.03 (180deg=-3.38!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.82! K(o=-1.8!,f=-0.037) USER MOD Single : A 21 GLN : amide:sc= -3.05 K(o=-3.1,f=-1.1) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0362 USER MOD Single : A 37 SER OG : rot 87:sc= 0.0415 USER MOD Single : A 38 GLN : amide:sc= -3.49! K(o=-3.5!,f=-0.083) USER MOD Single : A 40 TYR OH : rot 150:sc= -1.02 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -169:sc= -0.547 (180deg=-0.921) USER MOD Single : A 60 LYS NZ :NH3+ 154:sc= 0.751 (180deg=0.0256) USER MOD Single : A 61 SER OG : rot 160:sc= -0.496 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -106:sc= -0.632 (180deg=-4.58!) USER MOD Single : A 70 ASN : amide:sc= -0.256 K(o=-0.26,f=-3.5!) USER MOD Single : A 71 GLN : amide:sc= -0.0959 K(o=-0.096,f=-0.76) USER MOD Single : A 77 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 79 GLN : amide:sc= -7.49! C(o=-7.5!,f=-5.7!) USER MOD Single : A 80 THR OG1 : rot 44:sc= 1.04 USER MOD Single : A 81 LYS NZ :NH3+ -171:sc= -0.01 (180deg=-0.152) USER MOD Single : A 82 LYS NZ :NH3+ -119:sc= 0.196 (180deg=-0.515) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 87 THR OG1 : rot -130:sc= -0.318 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -2.17 K(o=-2.2,f=-0.4) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 9 6.715 -2.375 9.336 1.00 1.01 N ATOM 104 CA GLY A 9 5.914 -2.860 10.446 1.00 1.09 C ATOM 105 C GLY A 9 4.524 -2.251 10.478 1.00 1.08 C ATOM 106 O GLY A 9 3.527 -2.966 10.367 1.00 1.26 O ATOM 0 HA2 GLY A 9 5.829 -3.945 10.380 1.00 1.09 H new ATOM 0 HA3 GLY A 9 6.425 -2.636 11.382 1.00 1.09 H new ATOM 110 N LYS A 10 4.456 -0.932 10.629 1.00 1.12 N ATOM 111 CA LYS A 10 3.176 -0.234 10.678 1.00 1.33 C ATOM 112 C LYS A 10 2.941 0.623 9.425 1.00 1.14 C ATOM 113 O LYS A 10 1.955 0.417 8.723 1.00 1.22 O ATOM 114 CB LYS A 10 3.091 0.618 11.948 1.00 1.68 C ATOM 115 CG LYS A 10 1.858 1.506 12.014 1.00 2.23 C ATOM 116 CD LYS A 10 0.574 0.692 12.113 1.00 3.07 C ATOM 117 CE LYS A 10 0.425 0.037 13.478 1.00 3.89 C ATOM 118 NZ LYS A 10 1.187 -1.240 13.574 1.00 4.57 N ATOM 0 H LYS A 10 5.271 -0.326 10.719 1.00 1.12 H new ATOM 0 HA LYS A 10 2.386 -0.985 10.702 1.00 1.33 H new ATOM 0 HB2 LYS A 10 3.099 -0.041 12.817 1.00 1.68 H new ATOM 0 HB3 LYS A 10 3.981 1.244 12.014 1.00 1.68 H new ATOM 0 HG2 LYS A 10 1.934 2.169 12.876 1.00 2.23 H new ATOM 0 HG3 LYS A 10 1.819 2.139 11.127 1.00 2.23 H new ATOM 0 HD2 LYS A 10 -0.282 1.340 11.925 1.00 3.07 H new ATOM 0 HD3 LYS A 10 0.569 -0.075 11.339 1.00 3.07 H new ATOM 0 HE2 LYS A 10 0.772 0.725 14.249 1.00 3.89 H new ATOM 0 HE3 LYS A 10 -0.630 -0.155 13.674 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 0.557 -1.996 13.911 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 1.560 -1.493 12.637 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 1.977 -1.124 14.241 1.00 4.57 H new ATOM 132 N PRO A 11 3.824 1.612 9.131 1.00 1.03 N ATOM 133 CA PRO A 11 3.679 2.473 7.948 1.00 1.05 C ATOM 134 C PRO A 11 3.329 1.708 6.670 1.00 0.77 C ATOM 135 O PRO A 11 2.504 2.159 5.877 1.00 0.72 O ATOM 136 CB PRO A 11 5.060 3.107 7.812 1.00 1.20 C ATOM 137 CG PRO A 11 5.578 3.183 9.203 1.00 1.49 C ATOM 138 CD PRO A 11 5.003 2.001 9.938 1.00 1.15 C ATOM 0 HA PRO A 11 2.860 3.181 8.075 1.00 1.05 H new ATOM 0 HB2 PRO A 11 5.712 2.505 7.179 1.00 1.20 H new ATOM 0 HB3 PRO A 11 4.999 4.096 7.357 1.00 1.20 H new ATOM 0 HG2 PRO A 11 6.668 3.154 9.213 1.00 1.49 H new ATOM 0 HG3 PRO A 11 5.280 4.118 9.678 1.00 1.49 H new ATOM 0 HD2 PRO A 11 5.724 1.186 10.009 1.00 1.15 H new ATOM 0 HD3 PRO A 11 4.719 2.265 10.957 1.00 1.15 H new ATOM 146 N LEU A 12 3.957 0.551 6.473 1.00 0.70 N ATOM 147 CA LEU A 12 3.717 -0.256 5.277 1.00 0.57 C ATOM 148 C LEU A 12 2.224 -0.504 5.056 1.00 0.48 C ATOM 149 O LEU A 12 1.801 -0.846 3.952 1.00 0.53 O ATOM 150 CB LEU A 12 4.467 -1.586 5.367 1.00 0.61 C ATOM 151 CG LEU A 12 4.580 -2.351 4.045 1.00 0.58 C ATOM 152 CD1 LEU A 12 5.551 -1.657 3.103 1.00 1.01 C ATOM 153 CD2 LEU A 12 5.011 -3.788 4.293 1.00 0.91 C ATOM 0 H LEU A 12 4.634 0.151 7.123 1.00 0.70 H new ATOM 0 HA LEU A 12 4.093 0.305 4.421 1.00 0.57 H new ATOM 0 HB2 LEU A 12 5.471 -1.396 5.747 1.00 0.61 H new ATOM 0 HB3 LEU A 12 3.965 -2.221 6.096 1.00 0.61 H new ATOM 0 HG LEU A 12 3.597 -2.364 3.574 1.00 0.58 H new ATOM 0 HD11 LEU A 12 5.616 -2.217 2.170 1.00 1.01 H new ATOM 0 HD12 LEU A 12 5.198 -0.647 2.896 1.00 1.01 H new ATOM 0 HD13 LEU A 12 6.536 -1.609 3.567 1.00 1.01 H new ATOM 0 HD21 LEU A 12 5.086 -4.315 3.342 1.00 0.91 H new ATOM 0 HD22 LEU A 12 5.981 -3.796 4.789 1.00 0.91 H new ATOM 0 HD23 LEU A 12 4.275 -4.284 4.926 1.00 0.91 H new ATOM 165 N SER A 13 1.431 -0.336 6.111 1.00 0.52 N ATOM 166 CA SER A 13 -0.014 -0.533 6.026 1.00 0.61 C ATOM 167 C SER A 13 -0.688 0.672 5.375 1.00 0.58 C ATOM 168 O SER A 13 -1.466 0.525 4.433 1.00 0.69 O ATOM 169 CB SER A 13 -0.600 -0.778 7.418 1.00 0.78 C ATOM 170 OG SER A 13 -2.005 -0.958 7.357 1.00 1.39 O ATOM 0 H SER A 13 1.765 -0.064 7.036 1.00 0.52 H new ATOM 0 HA SER A 13 -0.203 -1.409 5.405 1.00 0.61 H new ATOM 0 HB2 SER A 13 -0.136 -1.660 7.861 1.00 0.78 H new ATOM 0 HB3 SER A 13 -0.366 0.065 8.068 1.00 0.78 H new ATOM 0 HG SER A 13 -2.354 -1.114 8.259 1.00 1.39 H new ATOM 176 N GLY A 14 -0.386 1.863 5.886 1.00 0.56 N ATOM 177 CA GLY A 14 -0.962 3.078 5.333 1.00 0.59 C ATOM 178 C GLY A 14 -0.237 3.525 4.078 1.00 0.55 C ATOM 179 O GLY A 14 -0.254 4.705 3.723 1.00 0.58 O ATOM 0 H GLY A 14 0.247 2.009 6.673 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -2.014 2.910 5.104 1.00 0.59 H new ATOM 0 HA3 GLY A 14 -0.921 3.872 6.079 1.00 0.59 H new ATOM 183 N LEU A 15 0.401 2.571 3.411 1.00 0.52 N ATOM 184 CA LEU A 15 1.150 2.839 2.190 1.00 0.52 C ATOM 185 C LEU A 15 0.216 3.105 1.020 1.00 0.46 C ATOM 186 O LEU A 15 0.305 4.145 0.369 1.00 0.47 O ATOM 187 CB LEU A 15 2.042 1.645 1.874 1.00 0.57 C ATOM 188 CG LEU A 15 3.520 1.966 1.650 1.00 0.69 C ATOM 189 CD1 LEU A 15 3.693 2.779 0.382 1.00 0.97 C ATOM 190 CD2 LEU A 15 4.099 2.710 2.846 1.00 1.10 C ATOM 0 H LEU A 15 0.414 1.593 3.700 1.00 0.52 H new ATOM 0 HA LEU A 15 1.759 3.729 2.346 1.00 0.52 H new ATOM 0 HB2 LEU A 15 1.964 0.929 2.692 1.00 0.57 H new ATOM 0 HB3 LEU A 15 1.656 1.152 0.982 1.00 0.57 H new ATOM 0 HG LEU A 15 4.064 1.028 1.540 1.00 0.69 H new ATOM 0 HD11 LEU A 15 4.750 3.001 0.234 1.00 0.97 H new ATOM 0 HD12 LEU A 15 3.319 2.210 -0.469 1.00 0.97 H new ATOM 0 HD13 LEU A 15 3.135 3.711 0.469 1.00 0.97 H new ATOM 0 HD21 LEU A 15 5.151 2.928 2.664 1.00 1.10 H new ATOM 0 HD22 LEU A 15 3.555 3.643 2.992 1.00 1.10 H new ATOM 0 HD23 LEU A 15 4.005 2.092 3.739 1.00 1.10 H new ATOM 202 N LEU A 16 -0.679 2.158 0.757 1.00 0.45 N ATOM 203 CA LEU A 16 -1.634 2.290 -0.336 1.00 0.42 C ATOM 204 C LEU A 16 -2.393 3.606 -0.204 1.00 0.40 C ATOM 205 O LEU A 16 -2.968 4.110 -1.170 1.00 0.41 O ATOM 206 CB LEU A 16 -2.612 1.104 -0.356 1.00 0.47 C ATOM 207 CG LEU A 16 -1.976 -0.295 -0.395 1.00 0.53 C ATOM 208 CD1 LEU A 16 -0.750 -0.319 -1.299 1.00 0.86 C ATOM 209 CD2 LEU A 16 -1.622 -0.777 1.005 1.00 0.92 C ATOM 0 H LEU A 16 -0.762 1.290 1.287 1.00 0.45 H new ATOM 0 HA LEU A 16 -1.086 2.289 -1.278 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -3.247 1.168 0.528 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -3.262 1.210 -1.224 1.00 0.47 H new ATOM 0 HG LEU A 16 -2.715 -0.980 -0.812 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -0.323 -1.322 -1.306 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -1.040 -0.041 -2.312 1.00 0.86 H new ATOM 0 HD13 LEU A 16 -0.009 0.389 -0.926 1.00 0.86 H new ATOM 0 HD21 LEU A 16 -1.174 -1.769 0.946 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -0.913 -0.085 1.460 1.00 0.92 H new ATOM 0 HD23 LEU A 16 -2.525 -0.822 1.613 1.00 0.92 H new ATOM 221 N ASN A 17 -2.383 4.150 1.009 1.00 0.40 N ATOM 222 CA ASN A 17 -3.044 5.414 1.305 1.00 0.42 C ATOM 223 C ASN A 17 -2.197 6.593 0.829 1.00 0.38 C ATOM 224 O ASN A 17 -2.638 7.394 0.006 1.00 0.42 O ATOM 225 CB ASN A 17 -3.284 5.523 2.810 1.00 0.47 C ATOM 226 CG ASN A 17 -4.474 4.703 3.272 1.00 1.38 C ATOM 227 OD1 ASN A 17 -5.159 5.069 4.228 1.00 1.93 O ATOM 228 ND2 ASN A 17 -4.725 3.583 2.601 1.00 2.33 N ATOM 0 H ASN A 17 -1.917 3.727 1.812 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.998 5.442 0.778 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -2.391 5.193 3.341 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -3.443 6.568 3.074 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -5.510 2.991 2.873 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -4.133 3.316 1.815 1.00 2.33 H new ATOM 235 N ALA A 18 -0.980 6.689 1.361 1.00 0.37 N ATOM 236 CA ALA A 18 -0.052 7.755 0.995 1.00 0.37 C ATOM 237 C ALA A 18 0.158 7.798 -0.513 1.00 0.38 C ATOM 238 O ALA A 18 0.073 8.857 -1.135 1.00 0.44 O ATOM 239 CB ALA A 18 1.279 7.541 1.698 1.00 0.42 C ATOM 0 H ALA A 18 -0.612 6.035 2.052 1.00 0.37 H new ATOM 0 HA ALA A 18 -0.479 8.708 1.308 1.00 0.37 H new ATOM 0 HB1 ALA A 18 1.969 8.339 1.422 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.126 7.551 2.777 1.00 0.42 H new ATOM 0 HB3 ALA A 18 1.698 6.580 1.399 1.00 0.42 H new ATOM 245 N LEU A 19 0.413 6.626 -1.089 1.00 0.42 N ATOM 246 CA LEU A 19 0.663 6.485 -2.524 1.00 0.48 C ATOM 247 C LEU A 19 -0.406 7.164 -3.383 1.00 0.52 C ATOM 248 O LEU A 19 -0.243 7.270 -4.597 1.00 0.69 O ATOM 249 CB LEU A 19 0.747 5.003 -2.892 1.00 0.51 C ATOM 250 CG LEU A 19 1.909 4.237 -2.258 1.00 0.61 C ATOM 251 CD1 LEU A 19 1.737 2.739 -2.468 1.00 0.77 C ATOM 252 CD2 LEU A 19 3.236 4.707 -2.832 1.00 0.94 C ATOM 0 H LEU A 19 0.453 5.746 -0.575 1.00 0.42 H new ATOM 0 HA LEU A 19 1.610 6.984 -2.732 1.00 0.48 H new ATOM 0 HB2 LEU A 19 -0.186 4.520 -2.602 1.00 0.51 H new ATOM 0 HB3 LEU A 19 0.826 4.919 -3.976 1.00 0.51 H new ATOM 0 HG LEU A 19 1.909 4.437 -1.187 1.00 0.61 H new ATOM 0 HD11 LEU A 19 2.573 2.209 -2.011 1.00 0.77 H new ATOM 0 HD12 LEU A 19 0.804 2.412 -2.008 1.00 0.77 H new ATOM 0 HD13 LEU A 19 1.711 2.522 -3.536 1.00 0.77 H new ATOM 0 HD21 LEU A 19 4.050 4.150 -2.369 1.00 0.94 H new ATOM 0 HD22 LEU A 19 3.247 4.537 -3.909 1.00 0.94 H new ATOM 0 HD23 LEU A 19 3.363 5.771 -2.631 1.00 0.94 H new ATOM 264 N ALA A 20 -1.497 7.608 -2.762 1.00 0.54 N ATOM 265 CA ALA A 20 -2.568 8.277 -3.494 1.00 0.64 C ATOM 266 C ALA A 20 -2.024 9.438 -4.324 1.00 0.78 C ATOM 267 O ALA A 20 -1.904 10.562 -3.835 1.00 1.59 O ATOM 268 CB ALA A 20 -3.640 8.769 -2.532 1.00 0.76 C ATOM 0 H ALA A 20 -1.661 7.517 -1.759 1.00 0.54 H new ATOM 0 HA ALA A 20 -3.014 7.554 -4.177 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -4.432 9.266 -3.093 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -4.057 7.922 -1.988 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -3.200 9.473 -1.825 1.00 0.76 H new ATOM 274 N GLN A 21 -1.686 9.151 -5.579 1.00 0.71 N ATOM 275 CA GLN A 21 -1.151 10.164 -6.485 1.00 0.81 C ATOM 276 C GLN A 21 -2.148 10.489 -7.591 1.00 1.05 C ATOM 277 O GLN A 21 -2.557 9.609 -8.347 1.00 1.54 O ATOM 278 CB GLN A 21 0.166 9.683 -7.103 1.00 1.12 C ATOM 279 CG GLN A 21 1.322 9.613 -6.117 1.00 1.08 C ATOM 280 CD GLN A 21 2.629 9.213 -6.780 1.00 1.24 C ATOM 281 OE1 GLN A 21 2.641 8.446 -7.743 1.00 1.87 O ATOM 282 NE2 GLN A 21 3.738 9.739 -6.271 1.00 1.21 N ATOM 0 H GLN A 21 -1.774 8.223 -5.992 1.00 0.71 H new ATOM 0 HA GLN A 21 -0.968 11.069 -5.905 1.00 0.81 H new ATOM 0 HB2 GLN A 21 0.012 8.695 -7.538 1.00 1.12 H new ATOM 0 HB3 GLN A 21 0.438 10.352 -7.920 1.00 1.12 H new ATOM 0 HG2 GLN A 21 1.444 10.584 -5.636 1.00 1.08 H new ATOM 0 HG3 GLN A 21 1.082 8.896 -5.332 1.00 1.08 H new ATOM 0 HE21 GLN A 21 3.683 10.371 -5.472 1.00 1.21 H new ATOM 0 HE22 GLN A 21 4.645 9.511 -6.679 1.00 1.21 H new ATOM 404 N ILE A 30 -2.923 15.583 0.357 1.00 1.02 N ATOM 405 CA ILE A 30 -2.083 14.515 -0.171 1.00 0.84 C ATOM 406 C ILE A 30 -1.371 14.958 -1.447 1.00 0.87 C ATOM 407 O ILE A 30 -1.943 15.669 -2.274 1.00 1.18 O ATOM 408 CB ILE A 30 -2.906 13.240 -0.454 1.00 0.87 C ATOM 409 CG1 ILE A 30 -1.987 12.073 -0.826 1.00 0.77 C ATOM 410 CG2 ILE A 30 -3.923 13.494 -1.558 1.00 1.08 C ATOM 411 CD1 ILE A 30 -1.132 11.587 0.326 1.00 0.75 C ATOM 0 HA ILE A 30 -1.337 14.287 0.591 1.00 0.84 H new ATOM 0 HB ILE A 30 -3.445 12.973 0.455 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -2.594 11.245 -1.192 1.00 0.77 H new ATOM 0 HG13 ILE A 30 -1.338 12.379 -1.646 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -4.494 12.584 -1.743 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -4.601 14.291 -1.252 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -3.404 13.789 -2.470 1.00 1.08 H new ATOM 0 HD11 ILE A 30 -0.506 10.760 -0.009 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -0.499 12.401 0.678 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -1.775 11.250 1.139 1.00 0.75 H new ATOM 423 N THR A 31 -0.121 14.537 -1.597 1.00 0.88 N ATOM 424 CA THR A 31 0.674 14.889 -2.768 1.00 0.97 C ATOM 425 C THR A 31 1.668 13.780 -3.095 1.00 0.86 C ATOM 426 O THR A 31 2.026 12.984 -2.228 1.00 0.78 O ATOM 427 CB THR A 31 1.434 16.213 -2.548 1.00 1.07 C ATOM 428 OG1 THR A 31 0.523 17.234 -2.122 1.00 1.72 O ATOM 429 CG2 THR A 31 2.139 16.662 -3.819 1.00 1.06 C ATOM 0 H THR A 31 0.366 13.949 -0.920 1.00 0.88 H new ATOM 0 HA THR A 31 -0.013 15.015 -3.605 1.00 0.97 H new ATOM 0 HB THR A 31 2.186 16.044 -1.778 1.00 1.07 H new ATOM 0 HG1 THR A 31 1.012 18.072 -1.983 1.00 1.72 H new ATOM 0 HG21 THR A 31 2.666 17.598 -3.632 1.00 1.06 H new ATOM 0 HG22 THR A 31 2.854 15.899 -4.128 1.00 1.06 H new ATOM 0 HG23 THR A 31 1.404 16.811 -4.610 1.00 1.06 H new ATOM 437 N GLU A 32 2.107 13.728 -4.350 1.00 0.93 N ATOM 438 CA GLU A 32 3.057 12.710 -4.787 1.00 0.95 C ATOM 439 C GLU A 32 4.308 12.709 -3.917 1.00 0.84 C ATOM 440 O GLU A 32 4.738 11.662 -3.439 1.00 0.91 O ATOM 441 CB GLU A 32 3.443 12.939 -6.249 1.00 1.15 C ATOM 442 CG GLU A 32 2.281 12.792 -7.215 1.00 1.47 C ATOM 443 CD GLU A 32 2.594 13.351 -8.589 1.00 1.59 C ATOM 444 OE1 GLU A 32 2.586 14.591 -8.741 1.00 1.98 O ATOM 445 OE2 GLU A 32 2.847 12.549 -9.512 1.00 1.56 O ATOM 0 H GLU A 32 1.820 14.379 -5.081 1.00 0.93 H new ATOM 0 HA GLU A 32 2.572 11.739 -4.689 1.00 0.95 H new ATOM 0 HB2 GLU A 32 3.866 13.938 -6.352 1.00 1.15 H new ATOM 0 HB3 GLU A 32 4.225 12.232 -6.525 1.00 1.15 H new ATOM 0 HG2 GLU A 32 2.020 11.738 -7.306 1.00 1.47 H new ATOM 0 HG3 GLU A 32 1.408 13.303 -6.809 1.00 1.47 H new ATOM 452 N GLU A 33 4.888 13.883 -3.706 1.00 0.80 N ATOM 453 CA GLU A 33 6.087 13.997 -2.885 1.00 0.79 C ATOM 454 C GLU A 33 5.729 13.925 -1.404 1.00 0.64 C ATOM 455 O GLU A 33 6.604 13.802 -0.547 1.00 0.70 O ATOM 456 CB GLU A 33 6.817 15.309 -3.181 1.00 0.97 C ATOM 457 CG GLU A 33 7.294 15.435 -4.618 1.00 1.63 C ATOM 458 CD GLU A 33 8.095 16.701 -4.854 1.00 2.05 C ATOM 459 OE1 GLU A 33 9.322 16.678 -4.625 1.00 2.36 O ATOM 460 OE2 GLU A 33 7.494 17.714 -5.269 1.00 2.64 O ATOM 0 H GLU A 33 4.550 14.766 -4.089 1.00 0.80 H new ATOM 0 HA GLU A 33 6.747 13.164 -3.129 1.00 0.79 H new ATOM 0 HB2 GLU A 33 6.153 16.143 -2.954 1.00 0.97 H new ATOM 0 HB3 GLU A 33 7.675 15.395 -2.514 1.00 0.97 H new ATOM 0 HG2 GLU A 33 7.905 14.569 -4.872 1.00 1.63 H new ATOM 0 HG3 GLU A 33 6.433 15.424 -5.286 1.00 1.63 H new ATOM 467 N LEU A 34 4.434 14.000 -1.117 1.00 0.54 N ATOM 468 CA LEU A 34 3.947 13.957 0.257 1.00 0.49 C ATOM 469 C LEU A 34 3.781 12.524 0.752 1.00 0.43 C ATOM 470 O LEU A 34 4.027 12.238 1.922 1.00 0.46 O ATOM 471 CB LEU A 34 2.608 14.702 0.361 1.00 0.57 C ATOM 472 CG LEU A 34 2.053 14.921 1.777 1.00 0.91 C ATOM 473 CD1 LEU A 34 1.309 13.687 2.262 1.00 1.75 C ATOM 474 CD2 LEU A 34 3.163 15.294 2.751 1.00 1.48 C ATOM 0 H LEU A 34 3.701 14.091 -1.820 1.00 0.54 H new ATOM 0 HA LEU A 34 4.690 14.445 0.888 1.00 0.49 H new ATOM 0 HB2 LEU A 34 2.722 15.676 -0.115 1.00 0.57 H new ATOM 0 HB3 LEU A 34 1.865 14.150 -0.215 1.00 0.57 H new ATOM 0 HG LEU A 34 1.349 15.752 1.734 1.00 0.91 H new ATOM 0 HD11 LEU A 34 0.925 13.865 3.266 1.00 1.75 H new ATOM 0 HD12 LEU A 34 0.479 13.475 1.588 1.00 1.75 H new ATOM 0 HD13 LEU A 34 1.989 12.835 2.279 1.00 1.75 H new ATOM 0 HD21 LEU A 34 2.740 15.443 3.745 1.00 1.48 H new ATOM 0 HD22 LEU A 34 3.900 14.492 2.787 1.00 1.48 H new ATOM 0 HD23 LEU A 34 3.644 16.214 2.420 1.00 1.48 H new ATOM 486 N LEU A 35 3.362 11.629 -0.141 1.00 0.45 N ATOM 487 CA LEU A 35 3.141 10.232 0.225 1.00 0.49 C ATOM 488 C LEU A 35 4.316 9.666 1.012 1.00 0.43 C ATOM 489 O LEU A 35 4.129 8.878 1.939 1.00 0.50 O ATOM 490 CB LEU A 35 2.860 9.379 -1.018 1.00 0.63 C ATOM 491 CG LEU A 35 4.034 9.159 -1.967 1.00 0.64 C ATOM 492 CD1 LEU A 35 4.827 7.926 -1.561 1.00 0.89 C ATOM 493 CD2 LEU A 35 3.533 9.023 -3.396 1.00 1.08 C ATOM 0 H LEU A 35 3.170 11.845 -1.119 1.00 0.45 H new ATOM 0 HA LEU A 35 2.264 10.198 0.871 1.00 0.49 H new ATOM 0 HB2 LEU A 35 2.499 8.405 -0.690 1.00 0.63 H new ATOM 0 HB3 LEU A 35 2.050 9.847 -1.578 1.00 0.63 H new ATOM 0 HG LEU A 35 4.695 10.024 -1.909 1.00 0.64 H new ATOM 0 HD11 LEU A 35 5.660 7.786 -2.250 1.00 0.89 H new ATOM 0 HD12 LEU A 35 5.211 8.057 -0.549 1.00 0.89 H new ATOM 0 HD13 LEU A 35 4.179 7.050 -1.592 1.00 0.89 H new ATOM 0 HD21 LEU A 35 4.379 8.866 -4.065 1.00 1.08 H new ATOM 0 HD22 LEU A 35 2.854 8.173 -3.464 1.00 1.08 H new ATOM 0 HD23 LEU A 35 3.006 9.932 -3.685 1.00 1.08 H new ATOM 505 N ARG A 36 5.527 10.067 0.644 1.00 0.38 N ATOM 506 CA ARG A 36 6.717 9.606 1.330 1.00 0.38 C ATOM 507 C ARG A 36 6.877 10.332 2.654 1.00 0.34 C ATOM 508 O ARG A 36 7.152 9.719 3.684 1.00 0.37 O ATOM 509 CB ARG A 36 7.942 9.843 0.462 1.00 0.46 C ATOM 510 CG ARG A 36 8.287 8.670 -0.432 1.00 1.18 C ATOM 511 CD ARG A 36 9.130 9.115 -1.609 1.00 1.73 C ATOM 512 NE ARG A 36 8.418 10.072 -2.453 1.00 2.64 N ATOM 513 CZ ARG A 36 7.584 9.720 -3.426 1.00 3.41 C ATOM 514 NH1 ARG A 36 7.325 8.441 -3.654 1.00 3.46 N ATOM 515 NH2 ARG A 36 7.001 10.650 -4.170 1.00 4.28 N ATOM 0 H ARG A 36 5.706 10.711 -0.127 1.00 0.38 H new ATOM 0 HA ARG A 36 6.616 8.538 1.524 1.00 0.38 H new ATOM 0 HB2 ARG A 36 7.773 10.724 -0.157 1.00 0.46 H new ATOM 0 HB3 ARG A 36 8.795 10.063 1.104 1.00 0.46 H new ATOM 0 HG2 ARG A 36 8.826 7.917 0.142 1.00 1.18 H new ATOM 0 HG3 ARG A 36 7.371 8.201 -0.792 1.00 1.18 H new ATOM 0 HD2 ARG A 36 10.053 9.567 -1.245 1.00 1.73 H new ATOM 0 HD3 ARG A 36 9.413 8.246 -2.203 1.00 1.73 H new ATOM 0 HE ARG A 36 8.570 11.067 -2.286 1.00 2.64 H new ATOM 0 HH11 ARG A 36 7.766 7.721 -3.082 1.00 3.46 H new ATOM 0 HH12 ARG A 36 6.684 8.176 -4.402 1.00 3.46 H new ATOM 0 HH21 ARG A 36 7.193 11.637 -3.996 1.00 4.28 H new ATOM 0 HH22 ARG A 36 6.361 10.379 -4.917 1.00 4.28 H new ATOM 529 N SER A 37 6.690 11.643 2.619 1.00 0.36 N ATOM 530 CA SER A 37 6.810 12.460 3.811 1.00 0.40 C ATOM 531 C SER A 37 5.767 12.038 4.841 1.00 0.40 C ATOM 532 O SER A 37 5.897 12.321 6.032 1.00 0.46 O ATOM 533 CB SER A 37 6.636 13.938 3.463 1.00 0.47 C ATOM 534 OG SER A 37 7.604 14.355 2.517 1.00 1.33 O ATOM 0 H SER A 37 6.454 12.163 1.774 1.00 0.36 H new ATOM 0 HA SER A 37 7.804 12.317 4.234 1.00 0.40 H new ATOM 0 HB2 SER A 37 5.636 14.106 3.063 1.00 0.47 H new ATOM 0 HB3 SER A 37 6.723 14.541 4.367 1.00 0.47 H new ATOM 0 HG SER A 37 7.275 14.174 1.612 1.00 1.33 H new ATOM 540 N GLN A 38 4.730 11.359 4.358 1.00 0.36 N ATOM 541 CA GLN A 38 3.639 10.900 5.205 1.00 0.39 C ATOM 542 C GLN A 38 3.984 9.604 5.925 1.00 0.43 C ATOM 543 O GLN A 38 3.958 9.534 7.154 1.00 0.67 O ATOM 544 CB GLN A 38 2.391 10.669 4.352 1.00 0.42 C ATOM 545 CG GLN A 38 1.142 11.317 4.919 1.00 0.74 C ATOM 546 CD GLN A 38 -0.109 10.965 4.135 1.00 1.11 C ATOM 547 OE1 GLN A 38 -1.047 11.758 4.055 1.00 1.74 O ATOM 548 NE2 GLN A 38 -0.131 9.770 3.555 1.00 1.84 N ATOM 0 H GLN A 38 4.625 11.114 3.374 1.00 0.36 H new ATOM 0 HA GLN A 38 3.459 11.672 5.954 1.00 0.39 H new ATOM 0 HB2 GLN A 38 2.569 11.057 3.349 1.00 0.42 H new ATOM 0 HB3 GLN A 38 2.222 9.597 4.253 1.00 0.42 H new ATOM 0 HG2 GLN A 38 1.015 11.006 5.956 1.00 0.74 H new ATOM 0 HG3 GLN A 38 1.270 12.399 4.924 1.00 0.74 H new ATOM 0 HE21 GLN A 38 0.669 9.144 3.647 1.00 1.84 H new ATOM 0 HE22 GLN A 38 -0.948 9.479 3.018 1.00 1.84 H new ATOM 557 N LEU A 39 4.307 8.583 5.145 1.00 0.41 N ATOM 558 CA LEU A 39 4.607 7.267 5.688 1.00 0.53 C ATOM 559 C LEU A 39 6.108 7.021 5.832 1.00 0.51 C ATOM 560 O LEU A 39 6.626 6.992 6.947 1.00 0.61 O ATOM 561 CB LEU A 39 3.965 6.205 4.797 1.00 0.69 C ATOM 562 CG LEU A 39 2.446 6.024 4.968 1.00 0.78 C ATOM 563 CD1 LEU A 39 2.155 5.079 6.121 1.00 1.09 C ATOM 564 CD2 LEU A 39 1.737 7.353 5.194 1.00 1.07 C ATOM 0 H LEU A 39 4.368 8.642 4.129 1.00 0.41 H new ATOM 0 HA LEU A 39 4.192 7.211 6.694 1.00 0.53 H new ATOM 0 HB2 LEU A 39 4.168 6.458 3.756 1.00 0.69 H new ATOM 0 HB3 LEU A 39 4.451 5.249 4.993 1.00 0.69 H new ATOM 0 HG LEU A 39 2.062 5.596 4.042 1.00 0.78 H new ATOM 0 HD11 LEU A 39 1.077 4.960 6.231 1.00 1.09 H new ATOM 0 HD12 LEU A 39 2.609 4.109 5.919 1.00 1.09 H new ATOM 0 HD13 LEU A 39 2.570 5.489 7.041 1.00 1.09 H new ATOM 0 HD21 LEU A 39 0.667 7.180 5.310 1.00 1.07 H new ATOM 0 HD22 LEU A 39 2.128 7.825 6.095 1.00 1.07 H new ATOM 0 HD23 LEU A 39 1.908 8.007 4.339 1.00 1.07 H new ATOM 576 N TYR A 40 6.804 6.828 4.711 1.00 0.46 N ATOM 577 CA TYR A 40 8.246 6.583 4.752 1.00 0.48 C ATOM 578 C TYR A 40 9.045 7.798 4.270 1.00 0.42 C ATOM 579 O TYR A 40 9.446 7.867 3.108 1.00 0.46 O ATOM 580 CB TYR A 40 8.632 5.334 3.934 1.00 0.58 C ATOM 581 CG TYR A 40 7.877 5.133 2.630 1.00 0.63 C ATOM 582 CD1 TYR A 40 7.443 6.207 1.866 1.00 0.89 C ATOM 583 CD2 TYR A 40 7.621 3.849 2.152 1.00 0.99 C ATOM 584 CE1 TYR A 40 6.775 6.013 0.674 1.00 1.30 C ATOM 585 CE2 TYR A 40 6.960 3.651 0.958 1.00 1.38 C ATOM 586 CZ TYR A 40 6.538 4.736 0.223 1.00 1.48 C ATOM 587 OH TYR A 40 5.881 4.544 -0.971 1.00 1.97 O ATOM 0 H TYR A 40 6.399 6.836 3.775 1.00 0.46 H new ATOM 0 HA TYR A 40 8.502 6.403 5.796 1.00 0.48 H new ATOM 0 HB2 TYR A 40 9.697 5.386 3.710 1.00 0.58 H new ATOM 0 HB3 TYR A 40 8.480 4.454 4.558 1.00 0.58 H new ATOM 0 HD1 TYR A 40 7.631 7.213 2.210 1.00 0.89 H new ATOM 0 HD2 TYR A 40 7.946 2.994 2.727 1.00 0.99 H new ATOM 0 HE1 TYR A 40 6.439 6.862 0.097 1.00 1.30 H new ATOM 0 HE2 TYR A 40 6.774 2.649 0.601 1.00 1.38 H new ATOM 0 HH TYR A 40 6.190 3.710 -1.384 1.00 1.97 H new ATOM 597 N PRO A 41 9.296 8.777 5.164 1.00 0.47 N ATOM 598 CA PRO A 41 10.055 9.981 4.813 1.00 0.51 C ATOM 599 C PRO A 41 11.505 9.661 4.475 1.00 0.57 C ATOM 600 O PRO A 41 12.179 10.429 3.791 1.00 0.79 O ATOM 601 CB PRO A 41 9.977 10.844 6.076 1.00 0.66 C ATOM 602 CG PRO A 41 9.705 9.882 7.178 1.00 0.75 C ATOM 603 CD PRO A 41 8.868 8.790 6.575 1.00 0.62 C ATOM 0 HA PRO A 41 9.652 10.473 3.928 1.00 0.51 H new ATOM 0 HB2 PRO A 41 10.909 11.385 6.244 1.00 0.66 H new ATOM 0 HB3 PRO A 41 9.186 11.589 5.997 1.00 0.66 H new ATOM 0 HG2 PRO A 41 10.634 9.482 7.585 1.00 0.75 H new ATOM 0 HG3 PRO A 41 9.179 10.368 8.000 1.00 0.75 H new ATOM 0 HD2 PRO A 41 9.049 7.830 7.059 1.00 0.62 H new ATOM 0 HD3 PRO A 41 7.803 9.000 6.671 1.00 0.62 H new ATOM 611 N GLU A 42 11.980 8.517 4.964 1.00 0.48 N ATOM 612 CA GLU A 42 13.350 8.092 4.710 1.00 0.55 C ATOM 613 C GLU A 42 13.539 7.757 3.234 1.00 0.57 C ATOM 614 O GLU A 42 14.586 8.039 2.653 1.00 0.71 O ATOM 615 CB GLU A 42 13.709 6.883 5.578 1.00 0.59 C ATOM 616 CG GLU A 42 12.876 5.644 5.284 1.00 0.58 C ATOM 617 CD GLU A 42 13.246 4.475 6.173 1.00 0.72 C ATOM 618 OE1 GLU A 42 14.238 3.782 5.861 1.00 0.94 O ATOM 619 OE2 GLU A 42 12.544 4.249 7.181 1.00 0.87 O ATOM 0 H GLU A 42 11.436 7.871 5.536 1.00 0.48 H new ATOM 0 HA GLU A 42 14.017 8.914 4.969 1.00 0.55 H new ATOM 0 HB2 GLU A 42 14.762 6.644 5.432 1.00 0.59 H new ATOM 0 HB3 GLU A 42 13.585 7.152 6.627 1.00 0.59 H new ATOM 0 HG2 GLU A 42 11.820 5.879 5.418 1.00 0.58 H new ATOM 0 HG3 GLU A 42 13.009 5.359 4.240 1.00 0.58 H new ATOM 626 N VAL A 43 12.514 7.155 2.633 1.00 0.52 N ATOM 627 CA VAL A 43 12.564 6.794 1.223 1.00 0.60 C ATOM 628 C VAL A 43 12.414 8.041 0.348 1.00 0.51 C ATOM 629 O VAL A 43 11.417 8.759 0.449 1.00 0.52 O ATOM 630 CB VAL A 43 11.467 5.755 0.867 1.00 0.74 C ATOM 631 CG1 VAL A 43 10.787 6.078 -0.457 1.00 0.90 C ATOM 632 CG2 VAL A 43 12.060 4.358 0.817 1.00 0.99 C ATOM 0 H VAL A 43 11.642 6.909 3.102 1.00 0.52 H new ATOM 0 HA VAL A 43 13.535 6.339 1.029 1.00 0.60 H new ATOM 0 HB VAL A 43 10.710 5.800 1.650 1.00 0.74 H new ATOM 0 HG11 VAL A 43 10.026 5.326 -0.668 1.00 0.90 H new ATOM 0 HG12 VAL A 43 10.319 7.061 -0.396 1.00 0.90 H new ATOM 0 HG13 VAL A 43 11.528 6.079 -1.256 1.00 0.90 H new ATOM 0 HG21 VAL A 43 11.279 3.640 0.566 1.00 0.99 H new ATOM 0 HG22 VAL A 43 12.843 4.322 0.059 1.00 0.99 H new ATOM 0 HG23 VAL A 43 12.484 4.108 1.789 1.00 0.99 H new ATOM 642 N PRO A 44 13.411 8.332 -0.506 1.00 0.56 N ATOM 643 CA PRO A 44 13.363 9.492 -1.396 1.00 0.54 C ATOM 644 C PRO A 44 12.346 9.305 -2.516 1.00 0.54 C ATOM 645 O PRO A 44 12.025 8.175 -2.883 1.00 0.60 O ATOM 646 CB PRO A 44 14.776 9.563 -1.978 1.00 0.64 C ATOM 647 CG PRO A 44 15.297 8.174 -1.884 1.00 0.67 C ATOM 648 CD PRO A 44 14.663 7.571 -0.662 1.00 0.76 C ATOM 0 HA PRO A 44 13.062 10.397 -0.868 1.00 0.54 H new ATOM 0 HB2 PRO A 44 14.761 9.911 -3.011 1.00 0.64 H new ATOM 0 HB3 PRO A 44 15.400 10.258 -1.417 1.00 0.64 H new ATOM 0 HG2 PRO A 44 15.044 7.602 -2.777 1.00 0.67 H new ATOM 0 HG3 PRO A 44 16.384 8.171 -1.801 1.00 0.67 H new ATOM 0 HD2 PRO A 44 14.470 6.506 -0.795 1.00 0.76 H new ATOM 0 HD3 PRO A 44 15.305 7.672 0.213 1.00 0.76 H new ATOM 656 N PRO A 45 11.802 10.412 -3.050 1.00 0.56 N ATOM 657 CA PRO A 45 10.830 10.374 -4.151 1.00 0.67 C ATOM 658 C PRO A 45 11.487 10.008 -5.482 1.00 0.77 C ATOM 659 O PRO A 45 11.248 10.645 -6.508 1.00 1.08 O ATOM 660 CB PRO A 45 10.269 11.808 -4.179 1.00 0.72 C ATOM 661 CG PRO A 45 10.711 12.418 -2.886 1.00 0.63 C ATOM 662 CD PRO A 45 12.037 11.789 -2.603 1.00 0.56 C ATOM 0 HA PRO A 45 10.061 9.615 -4.004 1.00 0.67 H new ATOM 0 HB2 PRO A 45 10.654 12.367 -5.032 1.00 0.72 H new ATOM 0 HB3 PRO A 45 9.182 11.806 -4.264 1.00 0.72 H new ATOM 0 HG2 PRO A 45 10.796 13.502 -2.968 1.00 0.63 H new ATOM 0 HG3 PRO A 45 9.998 12.214 -2.088 1.00 0.63 H new ATOM 0 HD2 PRO A 45 12.846 12.268 -3.155 1.00 0.56 H new ATOM 0 HD3 PRO A 45 12.299 11.839 -1.546 1.00 0.56 H new ATOM 670 N GLU A 46 12.314 8.965 -5.444 1.00 0.65 N ATOM 671 CA GLU A 46 13.017 8.480 -6.624 1.00 0.77 C ATOM 672 C GLU A 46 13.385 7.007 -6.452 1.00 0.71 C ATOM 673 O GLU A 46 13.355 6.232 -7.408 1.00 0.81 O ATOM 674 CB GLU A 46 14.281 9.308 -6.872 1.00 0.92 C ATOM 675 CG GLU A 46 15.003 8.946 -8.161 1.00 1.61 C ATOM 676 CD GLU A 46 14.208 9.315 -9.399 1.00 2.17 C ATOM 677 OE1 GLU A 46 13.281 8.558 -9.755 1.00 3.02 O ATOM 678 OE2 GLU A 46 14.512 10.361 -10.011 1.00 2.25 O ATOM 0 H GLU A 46 12.513 8.435 -4.595 1.00 0.65 H new ATOM 0 HA GLU A 46 12.356 8.582 -7.485 1.00 0.77 H new ATOM 0 HB2 GLU A 46 14.014 10.364 -6.899 1.00 0.92 H new ATOM 0 HB3 GLU A 46 14.964 9.174 -6.033 1.00 0.92 H new ATOM 0 HG2 GLU A 46 15.967 9.454 -8.188 1.00 1.61 H new ATOM 0 HG3 GLU A 46 15.207 7.875 -8.170 1.00 1.61 H new ATOM 685 N GLU A 47 13.733 6.628 -5.221 1.00 0.63 N ATOM 686 CA GLU A 47 14.105 5.248 -4.915 1.00 0.66 C ATOM 687 C GLU A 47 12.939 4.481 -4.293 1.00 0.55 C ATOM 688 O GLU A 47 13.124 3.398 -3.740 1.00 0.59 O ATOM 689 CB GLU A 47 15.300 5.221 -3.961 1.00 0.81 C ATOM 690 CG GLU A 47 16.609 5.637 -4.611 1.00 1.25 C ATOM 691 CD GLU A 47 17.772 5.621 -3.639 1.00 1.42 C ATOM 692 OE1 GLU A 47 18.364 4.540 -3.440 1.00 1.62 O ATOM 693 OE2 GLU A 47 18.090 6.690 -3.076 1.00 1.58 O ATOM 0 H GLU A 47 13.765 7.259 -4.420 1.00 0.63 H new ATOM 0 HA GLU A 47 14.375 4.763 -5.853 1.00 0.66 H new ATOM 0 HB2 GLU A 47 15.096 5.882 -3.119 1.00 0.81 H new ATOM 0 HB3 GLU A 47 15.409 4.214 -3.557 1.00 0.81 H new ATOM 0 HG2 GLU A 47 16.826 4.967 -5.443 1.00 1.25 H new ATOM 0 HG3 GLU A 47 16.502 6.639 -5.027 1.00 1.25 H new ATOM 700 N PHE A 48 11.745 5.053 -4.368 1.00 0.48 N ATOM 701 CA PHE A 48 10.558 4.410 -3.812 1.00 0.45 C ATOM 702 C PHE A 48 10.027 3.321 -4.746 1.00 0.41 C ATOM 703 O PHE A 48 9.374 2.377 -4.304 1.00 0.45 O ATOM 704 CB PHE A 48 9.468 5.448 -3.542 1.00 0.54 C ATOM 705 CG PHE A 48 8.939 6.109 -4.784 1.00 1.39 C ATOM 706 CD1 PHE A 48 9.638 7.146 -5.383 1.00 2.39 C ATOM 707 CD2 PHE A 48 7.744 5.697 -5.352 1.00 1.41 C ATOM 708 CE1 PHE A 48 9.156 7.757 -6.524 1.00 3.37 C ATOM 709 CE2 PHE A 48 7.257 6.305 -6.494 1.00 2.36 C ATOM 710 CZ PHE A 48 7.957 7.330 -7.081 1.00 3.35 C ATOM 0 H PHE A 48 11.571 5.957 -4.806 1.00 0.48 H new ATOM 0 HA PHE A 48 10.843 3.940 -2.871 1.00 0.45 H new ATOM 0 HB2 PHE A 48 8.642 4.966 -3.018 1.00 0.54 H new ATOM 0 HB3 PHE A 48 9.865 6.213 -2.875 1.00 0.54 H new ATOM 0 HD1 PHE A 48 10.570 7.480 -4.952 1.00 2.39 H new ATOM 0 HD2 PHE A 48 7.187 4.891 -4.897 1.00 1.41 H new ATOM 0 HE1 PHE A 48 9.709 8.564 -6.982 1.00 3.37 H new ATOM 0 HE2 PHE A 48 6.324 5.973 -6.925 1.00 2.36 H new ATOM 0 HZ PHE A 48 7.576 7.803 -7.974 1.00 3.35 H new ATOM 720 N ARG A 49 10.312 3.464 -6.037 1.00 0.43 N ATOM 721 CA ARG A 49 9.858 2.502 -7.040 1.00 0.47 C ATOM 722 C ARG A 49 10.474 1.114 -6.835 1.00 0.49 C ATOM 723 O ARG A 49 9.748 0.120 -6.826 1.00 0.52 O ATOM 724 CB ARG A 49 10.176 3.012 -8.442 1.00 0.58 C ATOM 725 CG ARG A 49 9.491 4.325 -8.777 1.00 1.06 C ATOM 726 CD ARG A 49 8.035 4.115 -9.165 1.00 1.14 C ATOM 727 NE ARG A 49 7.901 3.298 -10.369 1.00 1.80 N ATOM 728 CZ ARG A 49 6.741 3.070 -10.978 1.00 2.30 C ATOM 729 NH1 ARG A 49 5.622 3.599 -10.503 1.00 2.42 N ATOM 730 NH2 ARG A 49 6.701 2.314 -12.066 1.00 3.07 N ATOM 0 H ARG A 49 10.857 4.239 -6.415 1.00 0.43 H new ATOM 0 HA ARG A 49 8.779 2.401 -6.924 1.00 0.47 H new ATOM 0 HB2 ARG A 49 11.254 3.139 -8.538 1.00 0.58 H new ATOM 0 HB3 ARG A 49 9.877 2.259 -9.171 1.00 0.58 H new ATOM 0 HG2 ARG A 49 9.546 4.994 -7.918 1.00 1.06 H new ATOM 0 HG3 ARG A 49 10.019 4.813 -9.596 1.00 1.06 H new ATOM 0 HD2 ARG A 49 7.506 3.636 -8.341 1.00 1.14 H new ATOM 0 HD3 ARG A 49 7.560 5.082 -9.329 1.00 1.14 H new ATOM 0 HE ARG A 49 8.743 2.880 -10.764 1.00 1.80 H new ATOM 0 HH11 ARG A 49 5.649 4.183 -9.667 1.00 2.42 H new ATOM 0 HH12 ARG A 49 4.734 3.422 -10.973 1.00 2.42 H new ATOM 0 HH21 ARG A 49 7.560 1.907 -12.436 1.00 3.07 H new ATOM 0 HH22 ARG A 49 5.811 2.139 -12.533 1.00 3.07 H new ATOM 744 N PRO A 50 11.816 1.007 -6.686 1.00 0.52 N ATOM 745 CA PRO A 50 12.469 -0.288 -6.483 1.00 0.59 C ATOM 746 C PRO A 50 11.829 -1.062 -5.340 1.00 0.58 C ATOM 747 O PRO A 50 11.907 -2.290 -5.284 1.00 0.68 O ATOM 748 CB PRO A 50 13.926 0.067 -6.157 1.00 0.63 C ATOM 749 CG PRO A 50 13.936 1.538 -5.907 1.00 0.58 C ATOM 750 CD PRO A 50 12.793 2.106 -6.695 1.00 0.54 C ATOM 0 HA PRO A 50 12.381 -0.932 -7.358 1.00 0.59 H new ATOM 0 HB2 PRO A 50 14.276 -0.481 -5.283 1.00 0.63 H new ATOM 0 HB3 PRO A 50 14.587 -0.194 -6.983 1.00 0.63 H new ATOM 0 HG2 PRO A 50 13.821 1.753 -4.845 1.00 0.58 H new ATOM 0 HG3 PRO A 50 14.882 1.979 -6.221 1.00 0.58 H new ATOM 0 HD2 PRO A 50 12.392 3.008 -6.233 1.00 0.54 H new ATOM 0 HD3 PRO A 50 13.093 2.373 -7.708 1.00 0.54 H new ATOM 758 N PHE A 51 11.195 -0.331 -4.428 1.00 0.49 N ATOM 759 CA PHE A 51 10.517 -0.944 -3.297 1.00 0.51 C ATOM 760 C PHE A 51 9.041 -1.152 -3.615 1.00 0.45 C ATOM 761 O PHE A 51 8.399 -2.046 -3.063 1.00 0.52 O ATOM 762 CB PHE A 51 10.669 -0.083 -2.042 1.00 0.60 C ATOM 763 CG PHE A 51 11.652 -0.642 -1.053 1.00 0.99 C ATOM 764 CD1 PHE A 51 11.393 -1.834 -0.395 1.00 1.29 C ATOM 765 CD2 PHE A 51 12.836 0.027 -0.780 1.00 1.44 C ATOM 766 CE1 PHE A 51 12.296 -2.348 0.517 1.00 1.88 C ATOM 767 CE2 PHE A 51 13.742 -0.483 0.131 1.00 2.02 C ATOM 768 CZ PHE A 51 13.467 -1.679 0.780 1.00 2.20 C ATOM 0 H PHE A 51 11.138 0.687 -4.453 1.00 0.49 H new ATOM 0 HA PHE A 51 10.978 -1.914 -3.107 1.00 0.51 H new ATOM 0 HB2 PHE A 51 10.987 0.918 -2.333 1.00 0.60 H new ATOM 0 HB3 PHE A 51 9.697 0.019 -1.560 1.00 0.60 H new ATOM 0 HD1 PHE A 51 10.476 -2.367 -0.597 1.00 1.29 H new ATOM 0 HD2 PHE A 51 13.052 0.957 -1.285 1.00 1.44 H new ATOM 0 HE1 PHE A 51 12.081 -3.277 1.024 1.00 1.88 H new ATOM 0 HE2 PHE A 51 14.660 0.047 0.337 1.00 2.02 H new ATOM 0 HZ PHE A 51 14.173 -2.083 1.491 1.00 2.20 H new ATOM 778 N LEU A 52 8.505 -0.321 -4.510 1.00 0.40 N ATOM 779 CA LEU A 52 7.107 -0.437 -4.902 1.00 0.43 C ATOM 780 C LEU A 52 6.928 -1.546 -5.927 1.00 0.44 C ATOM 781 O LEU A 52 5.810 -1.965 -6.200 1.00 0.50 O ATOM 782 CB LEU A 52 6.576 0.882 -5.476 1.00 0.55 C ATOM 783 CG LEU A 52 6.102 1.917 -4.451 1.00 0.56 C ATOM 784 CD1 LEU A 52 5.374 3.054 -5.152 1.00 1.33 C ATOM 785 CD2 LEU A 52 5.196 1.276 -3.413 1.00 1.15 C ATOM 0 H LEU A 52 9.015 0.432 -4.971 1.00 0.40 H new ATOM 0 HA LEU A 52 6.537 -0.679 -4.005 1.00 0.43 H new ATOM 0 HB2 LEU A 52 7.361 1.334 -6.083 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.746 0.656 -6.145 1.00 0.55 H new ATOM 0 HG LEU A 52 6.977 2.317 -3.940 1.00 0.56 H new ATOM 0 HD11 LEU A 52 5.042 3.783 -4.413 1.00 1.33 H new ATOM 0 HD12 LEU A 52 6.048 3.536 -5.860 1.00 1.33 H new ATOM 0 HD13 LEU A 52 4.510 2.658 -5.686 1.00 1.33 H new ATOM 0 HD21 LEU A 52 4.873 2.031 -2.696 1.00 1.15 H new ATOM 0 HD22 LEU A 52 4.324 0.847 -3.906 1.00 1.15 H new ATOM 0 HD23 LEU A 52 5.741 0.490 -2.890 1.00 1.15 H new ATOM 797 N ALA A 53 8.030 -2.022 -6.496 1.00 0.48 N ATOM 798 CA ALA A 53 7.962 -3.091 -7.484 1.00 0.59 C ATOM 799 C ALA A 53 7.241 -4.301 -6.901 1.00 0.60 C ATOM 800 O ALA A 53 6.751 -5.164 -7.629 1.00 0.76 O ATOM 801 CB ALA A 53 9.358 -3.470 -7.956 1.00 0.67 C ATOM 0 H ALA A 53 8.972 -1.688 -6.293 1.00 0.48 H new ATOM 0 HA ALA A 53 7.398 -2.736 -8.346 1.00 0.59 H new ATOM 0 HB1 ALA A 53 9.288 -4.270 -8.693 1.00 0.67 H new ATOM 0 HB2 ALA A 53 9.838 -2.601 -8.407 1.00 0.67 H new ATOM 0 HB3 ALA A 53 9.949 -3.811 -7.106 1.00 0.67 H new ATOM 807 N LYS A 54 7.187 -4.344 -5.573 1.00 0.51 N ATOM 808 CA LYS A 54 6.520 -5.420 -4.856 1.00 0.55 C ATOM 809 C LYS A 54 5.373 -4.858 -4.024 1.00 0.48 C ATOM 810 O LYS A 54 4.646 -5.596 -3.358 1.00 0.57 O ATOM 811 CB LYS A 54 7.518 -6.141 -3.950 1.00 0.62 C ATOM 812 CG LYS A 54 8.691 -6.752 -4.699 1.00 0.76 C ATOM 813 CD LYS A 54 9.761 -7.258 -3.744 1.00 0.94 C ATOM 814 CE LYS A 54 10.467 -6.113 -3.036 1.00 1.21 C ATOM 815 NZ LYS A 54 11.554 -6.597 -2.140 1.00 1.84 N ATOM 0 H LYS A 54 7.603 -3.636 -4.968 1.00 0.51 H new ATOM 0 HA LYS A 54 6.119 -6.132 -5.578 1.00 0.55 H new ATOM 0 HB2 LYS A 54 7.898 -5.437 -3.210 1.00 0.62 H new ATOM 0 HB3 LYS A 54 6.997 -6.928 -3.404 1.00 0.62 H new ATOM 0 HG2 LYS A 54 8.338 -7.575 -5.320 1.00 0.76 H new ATOM 0 HG3 LYS A 54 9.123 -6.009 -5.369 1.00 0.76 H new ATOM 0 HD2 LYS A 54 9.307 -7.918 -3.005 1.00 0.94 H new ATOM 0 HD3 LYS A 54 10.491 -7.851 -4.296 1.00 0.94 H new ATOM 0 HE2 LYS A 54 10.884 -5.431 -3.777 1.00 1.21 H new ATOM 0 HE3 LYS A 54 9.742 -5.545 -2.453 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 12.010 -5.785 -1.677 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 11.153 -7.228 -1.417 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 12.260 -7.117 -2.700 1.00 1.84 H new ATOM 829 N MET A 55 5.224 -3.536 -4.075 1.00 0.38 N ATOM 830 CA MET A 55 4.182 -2.839 -3.331 1.00 0.34 C ATOM 831 C MET A 55 3.416 -1.865 -4.233 1.00 0.33 C ATOM 832 O MET A 55 2.846 -0.884 -3.754 1.00 0.35 O ATOM 833 CB MET A 55 4.811 -2.078 -2.159 1.00 0.33 C ATOM 834 CG MET A 55 5.425 -2.983 -1.098 1.00 0.42 C ATOM 835 SD MET A 55 6.776 -2.186 -0.208 1.00 1.95 S ATOM 836 CE MET A 55 7.378 -3.549 0.784 1.00 2.78 C ATOM 0 H MET A 55 5.820 -2.922 -4.631 1.00 0.38 H new ATOM 0 HA MET A 55 3.475 -3.578 -2.953 1.00 0.34 H new ATOM 0 HB2 MET A 55 5.581 -1.410 -2.543 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.050 -1.452 -1.693 1.00 0.33 H new ATOM 0 HG2 MET A 55 4.653 -3.281 -0.389 1.00 0.42 H new ATOM 0 HG3 MET A 55 5.793 -3.894 -1.571 1.00 0.42 H new ATOM 0 HE1 MET A 55 8.081 -3.175 1.529 1.00 2.78 H new ATOM 0 HE2 MET A 55 6.540 -4.031 1.286 1.00 2.78 H new ATOM 0 HE3 MET A 55 7.881 -4.272 0.142 1.00 2.78 H new ATOM 846 N ARG A 56 3.396 -2.146 -5.538 1.00 0.37 N ATOM 847 CA ARG A 56 2.706 -1.284 -6.501 1.00 0.42 C ATOM 848 C ARG A 56 1.383 -1.895 -6.955 1.00 0.41 C ATOM 849 O ARG A 56 0.387 -1.187 -7.110 1.00 0.43 O ATOM 850 CB ARG A 56 3.595 -1.023 -7.722 1.00 0.54 C ATOM 851 CG ARG A 56 3.975 -2.284 -8.483 1.00 1.09 C ATOM 852 CD ARG A 56 5.000 -1.990 -9.565 1.00 1.35 C ATOM 853 NE ARG A 56 4.405 -1.312 -10.715 1.00 1.81 N ATOM 854 CZ ARG A 56 5.084 -0.983 -11.809 1.00 2.37 C ATOM 855 NH1 ARG A 56 6.380 -1.254 -11.899 1.00 2.58 N ATOM 856 NH2 ARG A 56 4.466 -0.381 -12.817 1.00 3.05 N ATOM 0 H ARG A 56 3.848 -2.961 -5.952 1.00 0.37 H new ATOM 0 HA ARG A 56 2.494 -0.341 -5.998 1.00 0.42 H new ATOM 0 HB2 ARG A 56 3.077 -0.343 -8.399 1.00 0.54 H new ATOM 0 HB3 ARG A 56 4.504 -0.518 -7.397 1.00 0.54 H new ATOM 0 HG2 ARG A 56 4.377 -3.022 -7.789 1.00 1.09 H new ATOM 0 HG3 ARG A 56 3.084 -2.722 -8.933 1.00 1.09 H new ATOM 0 HD2 ARG A 56 5.796 -1.371 -9.151 1.00 1.35 H new ATOM 0 HD3 ARG A 56 5.459 -2.923 -9.892 1.00 1.35 H new ATOM 0 HE ARG A 56 3.413 -1.078 -10.676 1.00 1.81 H new ATOM 0 HH11 ARG A 56 6.859 -1.717 -11.127 1.00 2.58 H new ATOM 0 HH12 ARG A 56 6.897 -1.000 -12.741 1.00 2.58 H new ATOM 0 HH21 ARG A 56 3.470 -0.171 -12.752 1.00 3.05 H new ATOM 0 HH22 ARG A 56 4.987 -0.128 -13.657 1.00 3.05 H new ATOM 870 N GLY A 57 1.382 -3.206 -7.175 1.00 0.43 N ATOM 871 CA GLY A 57 0.174 -3.883 -7.618 1.00 0.45 C ATOM 872 C GLY A 57 -0.990 -3.683 -6.667 1.00 0.39 C ATOM 873 O GLY A 57 -2.140 -3.930 -7.027 1.00 0.48 O ATOM 0 H GLY A 57 2.194 -3.812 -7.055 1.00 0.43 H new ATOM 0 HA2 GLY A 57 -0.102 -3.515 -8.606 1.00 0.45 H new ATOM 0 HA3 GLY A 57 0.376 -4.949 -7.719 1.00 0.45 H new ATOM 877 N ILE A 58 -0.688 -3.238 -5.453 1.00 0.41 N ATOM 878 CA ILE A 58 -1.712 -3.000 -4.448 1.00 0.39 C ATOM 879 C ILE A 58 -2.213 -1.560 -4.497 1.00 0.40 C ATOM 880 O ILE A 58 -3.337 -1.268 -4.090 1.00 0.47 O ATOM 881 CB ILE A 58 -1.179 -3.296 -3.038 1.00 0.42 C ATOM 882 CG1 ILE A 58 -0.492 -4.659 -3.016 1.00 0.53 C ATOM 883 CG2 ILE A 58 -2.309 -3.250 -2.023 1.00 0.43 C ATOM 884 CD1 ILE A 58 1.002 -4.593 -3.259 1.00 0.71 C ATOM 0 H ILE A 58 0.262 -3.035 -5.142 1.00 0.41 H new ATOM 0 HA ILE A 58 -2.540 -3.673 -4.671 1.00 0.39 H new ATOM 0 HB ILE A 58 -0.449 -2.532 -2.770 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -0.673 -5.132 -2.051 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -0.946 -5.297 -3.774 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -1.914 -3.462 -1.029 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -2.764 -2.259 -2.029 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -3.061 -3.996 -2.281 1.00 0.43 H new ATOM 0 HD11 ILE A 58 1.420 -5.599 -3.229 1.00 0.71 H new ATOM 0 HD12 ILE A 58 1.192 -4.150 -4.237 1.00 0.71 H new ATOM 0 HD13 ILE A 58 1.470 -3.982 -2.487 1.00 0.71 H new ATOM 896 N LEU A 59 -1.371 -0.665 -5.004 1.00 0.44 N ATOM 897 CA LEU A 59 -1.722 0.749 -5.101 1.00 0.49 C ATOM 898 C LEU A 59 -2.748 1.005 -6.203 1.00 0.52 C ATOM 899 O LEU A 59 -3.845 1.491 -5.933 1.00 0.56 O ATOM 900 CB LEU A 59 -0.463 1.589 -5.353 1.00 0.58 C ATOM 901 CG LEU A 59 -0.710 2.965 -5.978 1.00 0.88 C ATOM 902 CD1 LEU A 59 -1.576 3.823 -5.068 1.00 1.39 C ATOM 903 CD2 LEU A 59 0.610 3.660 -6.281 1.00 1.71 C ATOM 0 H LEU A 59 -0.441 -0.893 -5.354 1.00 0.44 H new ATOM 0 HA LEU A 59 -2.172 1.042 -4.153 1.00 0.49 H new ATOM 0 HB2 LEU A 59 0.058 1.727 -4.405 1.00 0.58 H new ATOM 0 HB3 LEU A 59 0.205 1.026 -6.005 1.00 0.58 H new ATOM 0 HG LEU A 59 -1.244 2.823 -6.917 1.00 0.88 H new ATOM 0 HD11 LEU A 59 -1.739 4.796 -5.532 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -2.536 3.331 -4.910 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -1.075 3.957 -4.109 1.00 1.39 H new ATOM 0 HD21 LEU A 59 0.414 4.636 -6.725 1.00 1.71 H new ATOM 0 HD22 LEU A 59 1.174 3.788 -5.357 1.00 1.71 H new ATOM 0 HD23 LEU A 59 1.188 3.054 -6.978 1.00 1.71 H new ATOM 915 N LYS A 60 -2.388 0.679 -7.440 1.00 0.59 N ATOM 916 CA LYS A 60 -3.282 0.895 -8.574 1.00 0.68 C ATOM 917 C LYS A 60 -4.534 0.026 -8.463 1.00 0.65 C ATOM 918 O LYS A 60 -5.539 0.281 -9.126 1.00 0.74 O ATOM 919 CB LYS A 60 -2.540 0.633 -9.896 1.00 0.80 C ATOM 920 CG LYS A 60 -2.935 -0.653 -10.609 1.00 0.92 C ATOM 921 CD LYS A 60 -2.389 -1.884 -9.904 1.00 1.07 C ATOM 922 CE LYS A 60 -2.821 -3.158 -10.611 1.00 1.10 C ATOM 923 NZ LYS A 60 -2.272 -4.376 -9.953 1.00 1.60 N ATOM 0 H LYS A 60 -1.488 0.266 -7.683 1.00 0.59 H new ATOM 0 HA LYS A 60 -3.605 1.936 -8.562 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -2.717 1.473 -10.568 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -1.469 0.606 -9.695 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -4.022 -0.718 -10.664 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -2.565 -0.628 -11.634 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -1.301 -1.835 -9.870 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -2.739 -1.901 -8.872 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -3.910 -3.213 -10.625 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -2.490 -3.126 -11.649 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -2.894 -5.186 -10.148 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -1.321 -4.572 -10.324 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 -2.218 -4.221 -8.926 1.00 1.60 H new ATOM 937 N SER A 61 -4.463 -1.001 -7.622 1.00 0.55 N ATOM 938 CA SER A 61 -5.589 -1.908 -7.426 1.00 0.55 C ATOM 939 C SER A 61 -6.650 -1.280 -6.530 1.00 0.57 C ATOM 940 O SER A 61 -7.844 -1.360 -6.813 1.00 0.71 O ATOM 941 CB SER A 61 -5.108 -3.220 -6.807 1.00 0.51 C ATOM 942 OG SER A 61 -6.175 -4.143 -6.679 1.00 1.20 O ATOM 0 H SER A 61 -3.638 -1.226 -7.066 1.00 0.55 H new ATOM 0 HA SER A 61 -6.032 -2.107 -8.402 1.00 0.55 H new ATOM 0 HB2 SER A 61 -4.322 -3.652 -7.426 1.00 0.51 H new ATOM 0 HB3 SER A 61 -4.671 -3.025 -5.827 1.00 0.51 H new ATOM 0 HG SER A 61 -5.814 -5.050 -6.593 1.00 1.20 H new ATOM 948 N ILE A 62 -6.207 -0.664 -5.443 1.00 0.50 N ATOM 949 CA ILE A 62 -7.120 -0.032 -4.500 1.00 0.56 C ATOM 950 C ILE A 62 -7.507 1.377 -4.947 1.00 0.64 C ATOM 951 O ILE A 62 -8.596 1.859 -4.633 1.00 0.70 O ATOM 952 CB ILE A 62 -6.492 0.039 -3.091 1.00 0.55 C ATOM 953 CG1 ILE A 62 -6.072 -1.360 -2.630 1.00 0.54 C ATOM 954 CG2 ILE A 62 -7.469 0.660 -2.102 1.00 0.65 C ATOM 955 CD1 ILE A 62 -5.325 -1.369 -1.313 1.00 0.79 C ATOM 0 H ILE A 62 -5.221 -0.588 -5.192 1.00 0.50 H new ATOM 0 HA ILE A 62 -8.019 -0.648 -4.468 1.00 0.56 H new ATOM 0 HB ILE A 62 -5.605 0.671 -3.135 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -6.961 -1.984 -2.538 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -5.443 -1.812 -3.397 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -7.010 0.702 -1.114 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -7.724 1.669 -2.427 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -8.374 0.054 -2.056 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -5.061 -2.394 -1.052 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -4.417 -0.772 -1.405 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -5.958 -0.947 -0.533 1.00 0.79 H new ATOM 967 N ALA A 63 -6.613 2.034 -5.679 1.00 0.68 N ATOM 968 CA ALA A 63 -6.859 3.396 -6.141 1.00 0.79 C ATOM 969 C ALA A 63 -7.672 3.451 -7.433 1.00 0.84 C ATOM 970 O ALA A 63 -8.780 3.986 -7.453 1.00 0.90 O ATOM 971 CB ALA A 63 -5.541 4.135 -6.315 1.00 0.88 C ATOM 0 H ALA A 63 -5.714 1.647 -5.965 1.00 0.68 H new ATOM 0 HA ALA A 63 -7.458 3.887 -5.374 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -5.736 5.150 -6.660 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -5.015 4.171 -5.361 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -4.926 3.614 -7.049 1.00 0.88 H new ATOM 977 N SER A 64 -7.119 2.901 -8.509 1.00 0.88 N ATOM 978 CA SER A 64 -7.793 2.917 -9.805 1.00 1.00 C ATOM 979 C SER A 64 -8.952 1.927 -9.860 1.00 0.96 C ATOM 980 O SER A 64 -10.065 2.283 -10.247 1.00 1.11 O ATOM 981 CB SER A 64 -6.797 2.608 -10.924 1.00 1.13 C ATOM 982 OG SER A 64 -7.429 2.642 -12.192 1.00 1.56 O ATOM 0 H SER A 64 -6.209 2.440 -8.511 1.00 0.88 H new ATOM 0 HA SER A 64 -8.202 3.918 -9.944 1.00 1.00 H new ATOM 0 HB2 SER A 64 -5.982 3.332 -10.900 1.00 1.13 H new ATOM 0 HB3 SER A 64 -6.355 1.625 -10.761 1.00 1.13 H new ATOM 0 HG SER A 64 -6.771 2.443 -12.891 1.00 1.56 H new ATOM 988 N ALA A 65 -8.686 0.686 -9.472 1.00 0.84 N ATOM 989 CA ALA A 65 -9.705 -0.356 -9.497 1.00 0.84 C ATOM 990 C ALA A 65 -10.629 -0.287 -8.283 1.00 0.75 C ATOM 991 O ALA A 65 -11.825 -0.558 -8.393 1.00 0.82 O ATOM 992 CB ALA A 65 -9.045 -1.720 -9.580 1.00 0.83 C ATOM 0 H ALA A 65 -7.774 0.377 -9.136 1.00 0.84 H new ATOM 0 HA ALA A 65 -10.322 -0.194 -10.381 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -9.812 -2.495 -9.598 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -8.447 -1.780 -10.489 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -8.402 -1.866 -8.712 1.00 0.83 H new ATOM 998 N ASP A 66 -10.071 0.072 -7.130 1.00 0.65 N ATOM 999 CA ASP A 66 -10.851 0.158 -5.898 1.00 0.65 C ATOM 1000 C ASP A 66 -11.560 -1.165 -5.625 1.00 0.66 C ATOM 1001 O ASP A 66 -12.788 -1.244 -5.654 1.00 1.01 O ATOM 1002 CB ASP A 66 -11.877 1.293 -5.987 1.00 0.75 C ATOM 1003 CG ASP A 66 -11.244 2.622 -6.352 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -10.793 3.338 -5.434 1.00 1.08 O ATOM 1005 OD2 ASP A 66 -11.205 2.948 -7.558 1.00 1.53 O ATOM 0 H ASP A 66 -9.084 0.308 -7.023 1.00 0.65 H new ATOM 0 HA ASP A 66 -10.168 0.369 -5.075 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -12.632 1.038 -6.730 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -12.391 1.390 -5.031 1.00 0.75 H new ATOM 1010 N MET A 67 -10.773 -2.203 -5.363 1.00 0.55 N ATOM 1011 CA MET A 67 -11.314 -3.531 -5.097 1.00 0.55 C ATOM 1012 C MET A 67 -11.849 -3.638 -3.675 1.00 0.65 C ATOM 1013 O MET A 67 -11.748 -2.697 -2.887 1.00 0.81 O ATOM 1014 CB MET A 67 -10.239 -4.594 -5.325 1.00 0.49 C ATOM 1015 CG MET A 67 -9.612 -4.552 -6.711 1.00 0.49 C ATOM 1016 SD MET A 67 -10.606 -5.394 -7.962 1.00 1.00 S ATOM 1017 CE MET A 67 -11.829 -4.143 -8.350 1.00 1.52 C ATOM 0 H MET A 67 -9.755 -2.150 -5.329 1.00 0.55 H new ATOM 0 HA MET A 67 -12.142 -3.697 -5.787 1.00 0.55 H new ATOM 0 HB2 MET A 67 -9.455 -4.469 -4.579 1.00 0.49 H new ATOM 0 HB3 MET A 67 -10.677 -5.579 -5.165 1.00 0.49 H new ATOM 0 HG2 MET A 67 -9.469 -3.513 -7.008 1.00 0.49 H new ATOM 0 HG3 MET A 67 -8.624 -5.011 -6.671 1.00 0.49 H new ATOM 0 HE1 MET A 67 -12.786 -4.421 -7.908 1.00 1.52 H new ATOM 0 HE2 MET A 67 -11.508 -3.183 -7.946 1.00 1.52 H new ATOM 0 HE3 MET A 67 -11.938 -4.064 -9.432 1.00 1.52 H new ATOM 1027 N ASP A 68 -12.419 -4.796 -3.359 1.00 0.64 N ATOM 1028 CA ASP A 68 -12.974 -5.049 -2.036 1.00 0.77 C ATOM 1029 C ASP A 68 -12.533 -6.416 -1.525 1.00 0.67 C ATOM 1030 O ASP A 68 -11.548 -6.979 -2.005 1.00 1.22 O ATOM 1031 CB ASP A 68 -14.502 -4.969 -2.081 1.00 1.02 C ATOM 1032 CG ASP A 68 -14.997 -3.628 -2.583 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -15.172 -3.481 -3.811 1.00 1.92 O ATOM 1034 OD2 ASP A 68 -15.211 -2.723 -1.749 1.00 1.91 O ATOM 0 H ASP A 68 -12.509 -5.579 -4.007 1.00 0.64 H new ATOM 0 HA ASP A 68 -12.601 -4.287 -1.352 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -14.885 -5.759 -2.726 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -14.902 -5.150 -1.083 1.00 1.02 H new ATOM 1039 N PHE A 69 -13.265 -6.949 -0.552 1.00 0.74 N ATOM 1040 CA PHE A 69 -12.945 -8.252 0.020 1.00 0.83 C ATOM 1041 C PHE A 69 -13.086 -9.358 -1.022 1.00 0.99 C ATOM 1042 O PHE A 69 -13.846 -9.226 -1.981 1.00 1.85 O ATOM 1043 CB PHE A 69 -13.850 -8.543 1.219 1.00 1.00 C ATOM 1044 CG PHE A 69 -15.317 -8.531 0.887 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -16.030 -7.343 0.874 1.00 2.08 C ATOM 1046 CD2 PHE A 69 -15.983 -9.710 0.586 1.00 1.82 C ATOM 1047 CE1 PHE A 69 -17.378 -7.329 0.568 1.00 2.91 C ATOM 1048 CE2 PHE A 69 -17.332 -9.702 0.280 1.00 2.52 C ATOM 1049 CZ PHE A 69 -18.030 -8.508 0.274 1.00 3.05 C ATOM 0 H PHE A 69 -14.084 -6.499 -0.143 1.00 0.74 H new ATOM 0 HA PHE A 69 -11.908 -8.227 0.355 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -13.588 -9.517 1.632 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -13.657 -7.804 1.997 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -15.526 -6.416 1.106 1.00 2.08 H new ATOM 0 HD2 PHE A 69 -15.442 -10.645 0.591 1.00 1.82 H new ATOM 0 HE1 PHE A 69 -17.920 -6.395 0.559 1.00 2.91 H new ATOM 0 HE2 PHE A 69 -17.839 -10.626 0.046 1.00 2.52 H new ATOM 0 HZ PHE A 69 -19.084 -8.499 0.039 1.00 3.05 H new ATOM 1059 N ASN A 70 -12.345 -10.448 -0.822 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.375 -11.586 -1.734 1.00 0.89 C ATOM 1061 C ASN A 70 -11.928 -11.193 -3.141 1.00 0.83 C ATOM 1062 O ASN A 70 -12.043 -11.981 -4.081 1.00 1.09 O ATOM 1063 CB ASN A 70 -13.776 -12.192 -1.778 1.00 1.03 C ATOM 1064 CG ASN A 70 -14.049 -13.108 -0.600 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -14.544 -12.671 0.438 1.00 2.50 O ATOM 1066 ND2 ASN A 70 -13.723 -14.385 -0.755 1.00 2.40 N ATOM 0 H ASN A 70 -11.713 -10.565 -0.030 1.00 0.86 H new ATOM 0 HA ASN A 70 -11.673 -12.330 -1.357 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -14.515 -11.391 -1.790 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -13.897 -12.752 -2.705 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -13.881 -15.047 0.004 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -13.315 -14.704 -1.634 1.00 2.40 H new ATOM 1073 N GLN A 71 -11.421 -9.972 -3.279 1.00 0.69 N ATOM 1074 CA GLN A 71 -10.948 -9.479 -4.568 1.00 0.68 C ATOM 1075 C GLN A 71 -9.448 -9.216 -4.515 1.00 0.58 C ATOM 1076 O GLN A 71 -8.721 -9.500 -5.467 1.00 0.72 O ATOM 1077 CB GLN A 71 -11.692 -8.200 -4.957 1.00 0.74 C ATOM 1078 CG GLN A 71 -13.199 -8.382 -5.059 1.00 0.88 C ATOM 1079 CD GLN A 71 -13.591 -9.459 -6.051 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -12.898 -9.690 -7.043 1.00 1.79 O ATOM 1081 NE2 GLN A 71 -14.707 -10.127 -5.787 1.00 1.90 N ATOM 0 H GLN A 71 -11.327 -9.305 -2.513 1.00 0.69 H new ATOM 0 HA GLN A 71 -11.145 -10.241 -5.322 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -11.477 -7.426 -4.221 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -11.311 -7.844 -5.914 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -13.598 -8.636 -4.077 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -13.656 -7.438 -5.354 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -15.251 -9.903 -4.954 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -15.021 -10.865 -6.418 1.00 1.90 H new ATOM 1090 N LEU A 72 -8.997 -8.672 -3.392 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.585 -8.376 -3.193 1.00 0.39 C ATOM 1092 C LEU A 72 -6.862 -9.571 -2.583 1.00 0.41 C ATOM 1093 O LEU A 72 -5.663 -9.759 -2.793 1.00 0.41 O ATOM 1094 CB LEU A 72 -7.422 -7.161 -2.279 1.00 0.40 C ATOM 1095 CG LEU A 72 -7.665 -5.804 -2.935 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -7.634 -4.708 -1.885 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -6.626 -5.538 -4.014 1.00 1.06 C ATOM 0 H LEU A 72 -9.593 -8.426 -2.601 1.00 0.45 H new ATOM 0 HA LEU A 72 -7.146 -8.158 -4.167 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -8.108 -7.266 -1.439 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -6.412 -7.170 -1.869 1.00 0.40 H new ATOM 0 HG LEU A 72 -8.648 -5.813 -3.405 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -7.808 -3.743 -2.361 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -8.411 -4.892 -1.144 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -6.660 -4.701 -1.395 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -6.816 -4.566 -4.470 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -5.631 -5.542 -3.570 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -6.686 -6.315 -4.776 1.00 1.06 H new ATOM 1109 N GLU A 73 -7.602 -10.370 -1.820 1.00 0.49 N ATOM 1110 CA GLU A 73 -7.043 -11.551 -1.168 1.00 0.57 C ATOM 1111 C GLU A 73 -6.356 -12.468 -2.176 1.00 0.59 C ATOM 1112 O GLU A 73 -5.457 -13.229 -1.821 1.00 0.68 O ATOM 1113 CB GLU A 73 -8.146 -12.315 -0.431 1.00 0.67 C ATOM 1114 CG GLU A 73 -7.645 -13.529 0.335 1.00 0.75 C ATOM 1115 CD GLU A 73 -8.763 -14.282 1.031 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -9.156 -13.869 2.141 1.00 1.76 O ATOM 1117 OE2 GLU A 73 -9.244 -15.286 0.464 1.00 2.25 O ATOM 0 H GLU A 73 -8.594 -10.221 -1.637 1.00 0.49 H new ATOM 0 HA GLU A 73 -6.294 -11.217 -0.450 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -8.642 -11.638 0.264 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -8.897 -12.637 -1.153 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -7.132 -14.202 -0.353 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -6.911 -13.210 1.075 1.00 0.75 H new ATOM 1124 N ALA A 74 -6.783 -12.389 -3.433 1.00 0.62 N ATOM 1125 CA ALA A 74 -6.210 -13.217 -4.489 1.00 0.70 C ATOM 1126 C ALA A 74 -4.841 -12.700 -4.924 1.00 0.57 C ATOM 1127 O ALA A 74 -3.988 -13.472 -5.364 1.00 0.60 O ATOM 1128 CB ALA A 74 -7.156 -13.275 -5.679 1.00 0.89 C ATOM 0 H ALA A 74 -7.523 -11.760 -3.745 1.00 0.62 H new ATOM 0 HA ALA A 74 -6.074 -14.223 -4.091 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -6.719 -13.895 -6.461 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -8.108 -13.703 -5.366 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -7.319 -12.268 -6.063 1.00 0.89 H new ATOM 1134 N PHE A 75 -4.639 -11.391 -4.801 1.00 0.49 N ATOM 1135 CA PHE A 75 -3.374 -10.773 -5.188 1.00 0.46 C ATOM 1136 C PHE A 75 -2.300 -10.990 -4.127 1.00 0.38 C ATOM 1137 O PHE A 75 -1.174 -11.376 -4.441 1.00 0.47 O ATOM 1138 CB PHE A 75 -3.569 -9.279 -5.437 1.00 0.55 C ATOM 1139 CG PHE A 75 -2.316 -8.578 -5.873 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -1.933 -8.580 -7.203 1.00 0.76 C ATOM 1141 CD2 PHE A 75 -1.524 -7.912 -4.950 1.00 0.67 C ATOM 1142 CE1 PHE A 75 -0.781 -7.933 -7.607 1.00 0.88 C ATOM 1143 CE2 PHE A 75 -0.372 -7.262 -5.348 1.00 0.82 C ATOM 1144 CZ PHE A 75 0.007 -7.286 -6.681 1.00 0.91 C ATOM 0 H PHE A 75 -5.334 -10.739 -4.437 1.00 0.49 H new ATOM 0 HA PHE A 75 -3.039 -11.250 -6.109 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -4.336 -9.143 -6.199 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -3.939 -8.812 -4.524 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -2.541 -9.093 -7.933 1.00 0.76 H new ATOM 0 HD2 PHE A 75 -1.811 -7.901 -3.909 1.00 0.67 H new ATOM 0 HE1 PHE A 75 -0.498 -7.935 -8.649 1.00 0.88 H new ATOM 0 HE2 PHE A 75 0.232 -6.737 -4.623 1.00 0.82 H new ATOM 0 HZ PHE A 75 0.919 -6.798 -6.993 1.00 0.91 H new ATOM 1154 N LEU A 76 -2.653 -10.731 -2.873 1.00 0.33 N ATOM 1155 CA LEU A 76 -1.723 -10.903 -1.763 1.00 0.36 C ATOM 1156 C LEU A 76 -1.204 -12.339 -1.715 1.00 0.40 C ATOM 1157 O LEU A 76 -0.152 -12.617 -1.139 1.00 0.60 O ATOM 1158 CB LEU A 76 -2.419 -10.555 -0.446 1.00 0.43 C ATOM 1159 CG LEU A 76 -1.557 -9.827 0.593 1.00 0.55 C ATOM 1160 CD1 LEU A 76 -0.294 -10.611 0.910 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -1.214 -8.426 0.116 1.00 0.80 C ATOM 0 H LEU A 76 -3.578 -10.401 -2.599 1.00 0.33 H new ATOM 0 HA LEU A 76 -0.875 -10.234 -1.911 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -3.287 -9.935 -0.669 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -2.792 -11.477 0.001 1.00 0.43 H new ATOM 0 HG LEU A 76 -2.138 -9.747 1.512 1.00 0.55 H new ATOM 0 HD11 LEU A 76 0.295 -10.068 1.649 1.00 0.82 H new ATOM 0 HD12 LEU A 76 -0.563 -11.589 1.308 1.00 0.82 H new ATOM 0 HD13 LEU A 76 0.293 -10.738 0.001 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -0.602 -7.926 0.867 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -0.661 -8.486 -0.822 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -2.132 -7.860 -0.040 1.00 0.80 H new ATOM 1173 N THR A 77 -1.945 -13.245 -2.341 1.00 0.41 N ATOM 1174 CA THR A 77 -1.575 -14.656 -2.364 1.00 0.49 C ATOM 1175 C THR A 77 -0.506 -14.919 -3.417 1.00 0.47 C ATOM 1176 O THR A 77 0.282 -15.856 -3.295 1.00 0.53 O ATOM 1177 CB THR A 77 -2.797 -15.553 -2.644 1.00 0.63 C ATOM 1178 OG1 THR A 77 -3.824 -15.294 -1.682 1.00 0.73 O ATOM 1179 CG2 THR A 77 -2.415 -17.025 -2.596 1.00 0.71 C ATOM 0 H THR A 77 -2.807 -13.028 -2.841 1.00 0.41 H new ATOM 0 HA THR A 77 -1.179 -14.901 -1.378 1.00 0.49 H new ATOM 0 HB THR A 77 -3.165 -15.322 -3.644 1.00 0.63 H new ATOM 0 HG1 THR A 77 -4.306 -14.477 -1.930 1.00 0.73 H new ATOM 0 HG21 THR A 77 -3.295 -17.636 -2.797 1.00 0.71 H new ATOM 0 HG22 THR A 77 -1.653 -17.228 -3.348 1.00 0.71 H new ATOM 0 HG23 THR A 77 -2.023 -17.267 -1.608 1.00 0.71 H new ATOM 1187 N ALA A 78 -0.484 -14.086 -4.448 1.00 0.45 N ATOM 1188 CA ALA A 78 0.494 -14.224 -5.518 1.00 0.52 C ATOM 1189 C ALA A 78 1.827 -13.640 -5.083 1.00 0.53 C ATOM 1190 O ALA A 78 2.885 -14.209 -5.352 1.00 0.67 O ATOM 1191 CB ALA A 78 -0.003 -13.538 -6.781 1.00 0.60 C ATOM 0 H ALA A 78 -1.132 -13.307 -4.566 1.00 0.45 H new ATOM 0 HA ALA A 78 0.632 -15.283 -5.735 1.00 0.52 H new ATOM 0 HB1 ALA A 78 0.739 -13.650 -7.572 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -0.942 -13.993 -7.097 1.00 0.60 H new ATOM 0 HB3 ALA A 78 -0.163 -12.479 -6.581 1.00 0.60 H new ATOM 1197 N GLN A 79 1.766 -12.499 -4.409 1.00 0.47 N ATOM 1198 CA GLN A 79 2.966 -11.846 -3.916 1.00 0.53 C ATOM 1199 C GLN A 79 3.540 -12.644 -2.754 1.00 0.54 C ATOM 1200 O GLN A 79 3.001 -13.692 -2.399 1.00 1.06 O ATOM 1201 CB GLN A 79 2.653 -10.417 -3.476 1.00 0.56 C ATOM 1202 CG GLN A 79 1.604 -10.335 -2.385 1.00 0.96 C ATOM 1203 CD GLN A 79 1.308 -8.906 -1.977 1.00 1.23 C ATOM 1204 OE1 GLN A 79 0.441 -8.251 -2.555 1.00 2.20 O ATOM 1205 NE2 GLN A 79 2.030 -8.413 -0.979 1.00 0.61 N ATOM 0 H GLN A 79 0.898 -12.009 -4.193 1.00 0.47 H new ATOM 0 HA GLN A 79 3.703 -11.803 -4.718 1.00 0.53 H new ATOM 0 HB2 GLN A 79 3.570 -9.945 -3.123 1.00 0.56 H new ATOM 0 HB3 GLN A 79 2.313 -9.846 -4.340 1.00 0.56 H new ATOM 0 HG2 GLN A 79 0.686 -10.809 -2.731 1.00 0.96 H new ATOM 0 HG3 GLN A 79 1.944 -10.896 -1.514 1.00 0.96 H new ATOM 0 HE21 GLN A 79 2.739 -8.992 -0.528 1.00 0.61 H new ATOM 0 HE22 GLN A 79 1.876 -7.456 -0.663 1.00 0.61 H new ATOM 1214 N THR A 80 4.628 -12.144 -2.163 1.00 0.63 N ATOM 1215 CA THR A 80 5.290 -12.817 -1.041 1.00 0.65 C ATOM 1216 C THR A 80 5.358 -14.329 -1.265 1.00 0.64 C ATOM 1217 O THR A 80 5.462 -15.110 -0.318 1.00 0.73 O ATOM 1218 CB THR A 80 4.598 -12.515 0.312 1.00 0.77 C ATOM 1219 OG1 THR A 80 5.349 -13.096 1.384 1.00 1.31 O ATOM 1220 CG2 THR A 80 3.171 -13.045 0.356 1.00 0.44 C ATOM 0 H THR A 80 5.072 -11.270 -2.445 1.00 0.63 H new ATOM 0 HA THR A 80 6.304 -12.420 -0.995 1.00 0.65 H new ATOM 0 HB THR A 80 4.559 -11.431 0.421 1.00 0.77 H new ATOM 0 HG1 THR A 80 6.304 -12.926 1.244 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.725 -12.810 1.323 1.00 0.44 H new ATOM 0 HG22 THR A 80 2.585 -12.579 -0.436 1.00 0.44 H new ATOM 0 HG23 THR A 80 3.180 -14.126 0.213 1.00 0.44 H new ATOM 1228 N LYS A 81 5.310 -14.726 -2.534 1.00 0.68 N ATOM 1229 CA LYS A 81 5.362 -16.129 -2.919 1.00 0.71 C ATOM 1230 C LYS A 81 6.099 -16.289 -4.244 1.00 0.69 C ATOM 1231 O LYS A 81 6.661 -17.345 -4.534 1.00 0.81 O ATOM 1232 CB LYS A 81 3.942 -16.692 -3.037 1.00 0.76 C ATOM 1233 CG LYS A 81 3.291 -16.964 -1.692 1.00 1.54 C ATOM 1234 CD LYS A 81 2.099 -17.898 -1.825 1.00 1.55 C ATOM 1235 CE LYS A 81 1.370 -18.064 -0.501 1.00 2.12 C ATOM 1236 NZ LYS A 81 2.268 -18.588 0.566 1.00 3.02 N ATOM 0 H LYS A 81 5.234 -14.083 -3.322 1.00 0.68 H new ATOM 0 HA LYS A 81 5.902 -16.683 -2.151 1.00 0.71 H new ATOM 0 HB2 LYS A 81 3.325 -15.989 -3.596 1.00 0.76 H new ATOM 0 HB3 LYS A 81 3.972 -17.617 -3.612 1.00 0.76 H new ATOM 0 HG2 LYS A 81 4.024 -17.403 -1.015 1.00 1.54 H new ATOM 0 HG3 LYS A 81 2.968 -16.023 -1.246 1.00 1.54 H new ATOM 0 HD2 LYS A 81 1.411 -17.506 -2.574 1.00 1.55 H new ATOM 0 HD3 LYS A 81 2.436 -18.872 -2.180 1.00 1.55 H new ATOM 0 HE2 LYS A 81 0.959 -17.104 -0.190 1.00 2.12 H new ATOM 0 HE3 LYS A 81 0.528 -18.744 -0.633 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 1.705 -18.831 1.406 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 2.758 -19.438 0.221 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 2.969 -17.862 0.817 1.00 3.02 H new ATOM 1250 N LYS A 82 6.091 -15.224 -5.038 1.00 0.66 N ATOM 1251 CA LYS A 82 6.755 -15.225 -6.337 1.00 0.74 C ATOM 1252 C LYS A 82 8.190 -14.719 -6.218 1.00 0.78 C ATOM 1253 O LYS A 82 8.681 -14.476 -5.116 1.00 0.83 O ATOM 1254 CB LYS A 82 5.971 -14.370 -7.341 1.00 0.72 C ATOM 1255 CG LYS A 82 6.129 -12.866 -7.164 1.00 0.67 C ATOM 1256 CD LYS A 82 6.030 -12.441 -5.712 1.00 0.77 C ATOM 1257 CE LYS A 82 5.884 -10.943 -5.592 1.00 0.76 C ATOM 1258 NZ LYS A 82 7.107 -10.225 -6.041 1.00 1.09 N ATOM 0 H LYS A 82 5.630 -14.345 -4.804 1.00 0.66 H new ATOM 0 HA LYS A 82 6.785 -16.252 -6.700 1.00 0.74 H new ATOM 0 HB2 LYS A 82 6.288 -14.638 -8.349 1.00 0.72 H new ATOM 0 HB3 LYS A 82 4.913 -14.621 -7.262 1.00 0.72 H new ATOM 0 HG2 LYS A 82 7.093 -12.555 -7.566 1.00 0.67 H new ATOM 0 HG3 LYS A 82 5.362 -12.352 -7.743 1.00 0.67 H new ATOM 0 HD2 LYS A 82 5.176 -12.931 -5.244 1.00 0.77 H new ATOM 0 HD3 LYS A 82 6.920 -12.767 -5.173 1.00 0.77 H new ATOM 0 HE2 LYS A 82 5.032 -10.613 -6.186 1.00 0.76 H new ATOM 0 HE3 LYS A 82 5.670 -10.682 -4.556 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 7.497 -9.675 -5.249 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 7.815 -10.914 -6.366 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 6.865 -9.583 -6.823 1.00 1.09 H new ATOM 1272 N GLN A 83 8.860 -14.570 -7.357 1.00 0.87 N ATOM 1273 CA GLN A 83 10.236 -14.088 -7.372 1.00 0.96 C ATOM 1274 C GLN A 83 10.317 -12.685 -6.781 1.00 0.80 C ATOM 1275 O GLN A 83 9.603 -11.778 -7.210 1.00 0.80 O ATOM 1276 CB GLN A 83 10.792 -14.095 -8.798 1.00 1.22 C ATOM 1277 CG GLN A 83 9.967 -13.282 -9.782 1.00 1.37 C ATOM 1278 CD GLN A 83 10.543 -13.304 -11.185 1.00 1.96 C ATOM 1279 OE1 GLN A 83 11.166 -14.282 -11.597 1.00 2.49 O ATOM 1280 NE2 GLN A 83 10.337 -12.222 -11.927 1.00 2.57 N ATOM 0 H GLN A 83 8.473 -14.775 -8.278 1.00 0.87 H new ATOM 0 HA GLN A 83 10.840 -14.758 -6.761 1.00 0.96 H new ATOM 0 HB2 GLN A 83 11.810 -13.706 -8.783 1.00 1.22 H new ATOM 0 HB3 GLN A 83 10.850 -15.125 -9.150 1.00 1.22 H new ATOM 0 HG2 GLN A 83 8.949 -13.671 -9.805 1.00 1.37 H new ATOM 0 HG3 GLN A 83 9.906 -12.251 -9.434 1.00 1.37 H new ATOM 0 HE21 GLN A 83 9.815 -11.434 -11.545 1.00 2.57 H new ATOM 0 HE22 GLN A 83 10.701 -12.179 -12.879 1.00 2.57 H new ATOM 1289 N GLY A 84 11.186 -12.513 -5.792 1.00 0.98 N ATOM 1290 CA GLY A 84 11.331 -11.220 -5.150 1.00 1.14 C ATOM 1291 C GLY A 84 10.286 -11.004 -4.075 1.00 1.22 C ATOM 1292 O GLY A 84 10.410 -10.096 -3.254 1.00 2.05 O ATOM 0 H GLY A 84 11.793 -13.245 -5.423 1.00 0.98 H new ATOM 0 HA2 GLY A 84 12.326 -11.142 -4.711 1.00 1.14 H new ATOM 0 HA3 GLY A 84 11.250 -10.432 -5.898 1.00 1.14 H new ATOM 1296 N GLY A 85 9.253 -11.849 -4.095 1.00 0.69 N ATOM 1297 CA GLY A 85 8.174 -11.771 -3.128 1.00 0.69 C ATOM 1298 C GLY A 85 8.614 -11.295 -1.762 1.00 0.66 C ATOM 1299 O GLY A 85 9.594 -11.787 -1.201 1.00 0.91 O ATOM 0 H GLY A 85 9.148 -12.598 -4.779 1.00 0.69 H new ATOM 0 HA2 GLY A 85 7.406 -11.097 -3.508 1.00 0.69 H new ATOM 0 HA3 GLY A 85 7.715 -12.755 -3.030 1.00 0.69 H new ATOM 1303 N ILE A 86 7.876 -10.332 -1.235 1.00 0.49 N ATOM 1304 CA ILE A 86 8.158 -9.756 0.067 1.00 0.48 C ATOM 1305 C ILE A 86 8.064 -10.805 1.172 1.00 0.50 C ATOM 1306 O ILE A 86 7.637 -11.934 0.933 1.00 0.53 O ATOM 1307 CB ILE A 86 7.178 -8.607 0.347 1.00 0.45 C ATOM 1308 CG1 ILE A 86 5.750 -9.157 0.475 1.00 0.43 C ATOM 1309 CG2 ILE A 86 7.275 -7.585 -0.780 1.00 0.50 C ATOM 1310 CD1 ILE A 86 4.671 -8.094 0.516 1.00 0.45 C ATOM 0 H ILE A 86 7.063 -9.928 -1.700 1.00 0.49 H new ATOM 0 HA ILE A 86 9.178 -9.373 0.057 1.00 0.48 H new ATOM 0 HB ILE A 86 7.434 -8.118 1.287 1.00 0.45 H new ATOM 0 HG12 ILE A 86 5.554 -9.824 -0.364 1.00 0.43 H new ATOM 0 HG13 ILE A 86 5.685 -9.758 1.382 1.00 0.43 H new ATOM 0 HG21 ILE A 86 6.582 -6.766 -0.589 1.00 0.50 H new ATOM 0 HG22 ILE A 86 8.292 -7.196 -0.832 1.00 0.50 H new ATOM 0 HG23 ILE A 86 7.021 -8.062 -1.727 1.00 0.50 H new ATOM 0 HD11 ILE A 86 3.695 -8.570 0.607 1.00 0.45 H new ATOM 0 HD12 ILE A 86 4.837 -7.440 1.372 1.00 0.45 H new ATOM 0 HD13 ILE A 86 4.704 -7.507 -0.402 1.00 0.45 H new ATOM 1322 N THR A 87 8.468 -10.424 2.380 1.00 0.52 N ATOM 1323 CA THR A 87 8.436 -11.335 3.518 1.00 0.57 C ATOM 1324 C THR A 87 7.026 -11.479 4.080 1.00 0.51 C ATOM 1325 O THR A 87 6.110 -10.759 3.682 1.00 0.48 O ATOM 1326 CB THR A 87 9.376 -10.859 4.641 1.00 0.64 C ATOM 1327 OG1 THR A 87 8.931 -9.597 5.150 1.00 1.18 O ATOM 1328 CG2 THR A 87 10.803 -10.730 4.129 1.00 1.27 C ATOM 0 H THR A 87 8.821 -9.492 2.595 1.00 0.52 H new ATOM 0 HA THR A 87 8.774 -12.304 3.151 1.00 0.57 H new ATOM 0 HB THR A 87 9.357 -11.599 5.441 1.00 0.64 H new ATOM 0 HG1 THR A 87 9.684 -8.970 5.174 1.00 1.18 H new ATOM 0 HG21 THR A 87 11.451 -10.393 4.938 1.00 1.27 H new ATOM 0 HG22 THR A 87 11.149 -11.698 3.767 1.00 1.27 H new ATOM 0 HG23 THR A 87 10.833 -10.007 3.314 1.00 1.27 H new ATOM 1336 N SER A 88 6.862 -12.418 5.008 1.00 0.56 N ATOM 1337 CA SER A 88 5.566 -12.666 5.632 1.00 0.53 C ATOM 1338 C SER A 88 5.101 -11.448 6.421 1.00 0.48 C ATOM 1339 O SER A 88 3.907 -11.151 6.477 1.00 0.48 O ATOM 1340 CB SER A 88 5.648 -13.885 6.552 1.00 0.62 C ATOM 1341 OG SER A 88 4.397 -14.148 7.165 1.00 1.53 O ATOM 0 H SER A 88 7.613 -13.021 5.345 1.00 0.56 H new ATOM 0 HA SER A 88 4.840 -12.862 4.843 1.00 0.53 H new ATOM 0 HB2 SER A 88 5.966 -14.756 5.979 1.00 0.62 H new ATOM 0 HB3 SER A 88 6.404 -13.715 7.319 1.00 0.62 H new ATOM 0 HG SER A 88 4.476 -14.933 7.747 1.00 1.53 H new ATOM 1347 N ASP A 89 6.050 -10.747 7.033 1.00 0.51 N ATOM 1348 CA ASP A 89 5.739 -9.558 7.817 1.00 0.51 C ATOM 1349 C ASP A 89 5.256 -8.430 6.913 1.00 0.44 C ATOM 1350 O ASP A 89 4.274 -7.751 7.217 1.00 0.45 O ATOM 1351 CB ASP A 89 6.968 -9.104 8.606 1.00 0.59 C ATOM 1352 CG ASP A 89 6.703 -7.855 9.424 1.00 1.48 C ATOM 1353 OD1 ASP A 89 6.271 -7.988 10.587 1.00 1.85 O ATOM 1354 OD2 ASP A 89 6.927 -6.743 8.900 1.00 2.34 O ATOM 0 H ASP A 89 7.042 -10.983 7.001 1.00 0.51 H new ATOM 0 HA ASP A 89 4.942 -9.810 8.517 1.00 0.51 H new ATOM 0 HB2 ASP A 89 7.288 -9.908 9.269 1.00 0.59 H new ATOM 0 HB3 ASP A 89 7.790 -8.915 7.915 1.00 0.59 H new ATOM 1359 N GLN A 90 5.956 -8.236 5.801 1.00 0.44 N ATOM 1360 CA GLN A 90 5.604 -7.193 4.846 1.00 0.42 C ATOM 1361 C GLN A 90 4.249 -7.479 4.212 1.00 0.39 C ATOM 1362 O GLN A 90 3.493 -6.560 3.894 1.00 0.52 O ATOM 1363 CB GLN A 90 6.680 -7.084 3.763 1.00 0.49 C ATOM 1364 CG GLN A 90 8.028 -6.616 4.288 1.00 0.59 C ATOM 1365 CD GLN A 90 9.091 -6.545 3.207 1.00 0.75 C ATOM 1366 OE1 GLN A 90 10.274 -6.757 3.470 1.00 1.63 O ATOM 1367 NE2 GLN A 90 8.676 -6.239 1.982 1.00 0.91 N ATOM 0 H GLN A 90 6.772 -8.789 5.539 1.00 0.44 H new ATOM 0 HA GLN A 90 5.541 -6.245 5.380 1.00 0.42 H new ATOM 0 HB2 GLN A 90 6.803 -8.056 3.286 1.00 0.49 H new ATOM 0 HB3 GLN A 90 6.339 -6.392 2.993 1.00 0.49 H new ATOM 0 HG2 GLN A 90 7.913 -5.632 4.743 1.00 0.59 H new ATOM 0 HG3 GLN A 90 8.361 -7.294 5.074 1.00 0.59 H new ATOM 0 HE21 GLN A 90 7.685 -6.071 1.806 1.00 0.91 H new ATOM 0 HE22 GLN A 90 9.348 -6.173 1.218 1.00 0.91 H new ATOM 1376 N ALA A 91 3.948 -8.760 4.028 1.00 0.37 N ATOM 1377 CA ALA A 91 2.686 -9.176 3.431 1.00 0.37 C ATOM 1378 C ALA A 91 1.568 -9.228 4.470 1.00 0.34 C ATOM 1379 O ALA A 91 0.388 -9.200 4.123 1.00 0.40 O ATOM 1380 CB ALA A 91 2.846 -10.531 2.761 1.00 0.45 C ATOM 0 H ALA A 91 4.565 -9.531 4.285 1.00 0.37 H new ATOM 0 HA ALA A 91 2.409 -8.436 2.680 1.00 0.37 H new ATOM 0 HB1 ALA A 91 1.897 -10.832 2.318 1.00 0.45 H new ATOM 0 HB2 ALA A 91 3.605 -10.464 1.982 1.00 0.45 H new ATOM 0 HB3 ALA A 91 3.151 -11.270 3.502 1.00 0.45 H new ATOM 1386 N ALA A 92 1.947 -9.304 5.742 1.00 0.31 N ATOM 1387 CA ALA A 92 0.974 -9.373 6.829 1.00 0.33 C ATOM 1388 C ALA A 92 0.219 -8.062 6.998 1.00 0.28 C ATOM 1389 O ALA A 92 -0.963 -8.062 7.334 1.00 0.34 O ATOM 1390 CB ALA A 92 1.662 -9.748 8.133 1.00 0.40 C ATOM 0 H ALA A 92 2.920 -9.319 6.046 1.00 0.31 H new ATOM 0 HA ALA A 92 0.249 -10.144 6.568 1.00 0.33 H new ATOM 0 HB1 ALA A 92 0.924 -9.795 8.933 1.00 0.40 H new ATOM 0 HB2 ALA A 92 2.142 -10.720 8.024 1.00 0.40 H new ATOM 0 HB3 ALA A 92 2.414 -8.997 8.377 1.00 0.40 H new ATOM 1396 N VAL A 93 0.900 -6.946 6.764 1.00 0.26 N ATOM 1397 CA VAL A 93 0.274 -5.640 6.908 1.00 0.30 C ATOM 1398 C VAL A 93 -0.506 -5.256 5.651 1.00 0.28 C ATOM 1399 O VAL A 93 -1.552 -4.612 5.733 1.00 0.35 O ATOM 1400 CB VAL A 93 1.319 -4.549 7.248 1.00 0.41 C ATOM 1401 CG1 VAL A 93 1.539 -3.593 6.084 1.00 0.43 C ATOM 1402 CG2 VAL A 93 0.901 -3.794 8.500 1.00 0.55 C ATOM 0 H VAL A 93 1.878 -6.920 6.476 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.429 -5.709 7.738 1.00 0.30 H new ATOM 0 HB VAL A 93 2.271 -5.045 7.438 1.00 0.41 H new ATOM 0 HG11 VAL A 93 2.279 -2.843 6.364 1.00 0.43 H new ATOM 0 HG12 VAL A 93 1.896 -4.150 5.218 1.00 0.43 H new ATOM 0 HG13 VAL A 93 0.599 -3.100 5.835 1.00 0.43 H new ATOM 0 HG21 VAL A 93 1.644 -3.030 8.729 1.00 0.55 H new ATOM 0 HG22 VAL A 93 -0.067 -3.321 8.334 1.00 0.55 H new ATOM 0 HG23 VAL A 93 0.826 -4.489 9.336 1.00 0.55 H new ATOM 1412 N ILE A 94 0.005 -5.655 4.487 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.655 -5.351 3.222 1.00 0.25 C ATOM 1414 C ILE A 94 -1.901 -6.210 3.039 1.00 0.25 C ATOM 1415 O ILE A 94 -2.901 -5.749 2.502 1.00 0.28 O ATOM 1416 CB ILE A 94 0.290 -5.555 2.020 1.00 0.30 C ATOM 1417 CG1 ILE A 94 1.571 -4.737 2.203 1.00 0.40 C ATOM 1418 CG2 ILE A 94 -0.409 -5.165 0.723 1.00 0.31 C ATOM 1419 CD1 ILE A 94 2.583 -4.930 1.093 1.00 0.52 C ATOM 0 H ILE A 94 0.870 -6.187 4.396 1.00 0.24 H new ATOM 0 HA ILE A 94 -0.943 -4.300 3.259 1.00 0.25 H new ATOM 0 HB ILE A 94 0.558 -6.610 1.965 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.311 -3.680 2.265 1.00 0.40 H new ATOM 0 HG13 ILE A 94 2.031 -5.008 3.153 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.271 -5.315 -0.116 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.295 -5.785 0.587 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.703 -4.116 0.769 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.463 -4.319 1.293 1.00 0.52 H new ATOM 0 HD12 ILE A 94 2.874 -5.979 1.044 1.00 0.52 H new ATOM 0 HD13 ILE A 94 2.142 -4.631 0.142 1.00 0.52 H new ATOM 1431 N SER A 95 -1.831 -7.458 3.491 1.00 0.27 N ATOM 1432 CA SER A 95 -2.959 -8.386 3.388 1.00 0.34 C ATOM 1433 C SER A 95 -4.183 -7.850 4.124 1.00 0.39 C ATOM 1434 O SER A 95 -5.300 -8.330 3.931 1.00 0.47 O ATOM 1435 CB SER A 95 -2.575 -9.752 3.961 1.00 0.40 C ATOM 1436 OG SER A 95 -3.656 -10.664 3.874 1.00 0.49 O ATOM 0 H SER A 95 -1.002 -7.854 3.935 1.00 0.27 H new ATOM 0 HA SER A 95 -3.208 -8.491 2.332 1.00 0.34 H new ATOM 0 HB2 SER A 95 -1.716 -10.149 3.419 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.272 -9.641 5.002 1.00 0.40 H new ATOM 0 HG SER A 95 -3.385 -11.529 4.245 1.00 0.49 H new ATOM 1442 N LYS A 96 -3.957 -6.862 4.975 1.00 0.38 N ATOM 1443 CA LYS A 96 -5.021 -6.257 5.764 1.00 0.46 C ATOM 1444 C LYS A 96 -5.703 -5.114 5.013 1.00 0.45 C ATOM 1445 O LYS A 96 -6.590 -4.449 5.550 1.00 0.53 O ATOM 1446 CB LYS A 96 -4.454 -5.763 7.094 1.00 0.50 C ATOM 1447 CG LYS A 96 -3.736 -6.855 7.868 1.00 0.57 C ATOM 1448 CD LYS A 96 -2.847 -6.283 8.959 1.00 0.80 C ATOM 1449 CE LYS A 96 -3.669 -5.712 10.101 1.00 1.32 C ATOM 1450 NZ LYS A 96 -2.812 -5.067 11.135 1.00 2.12 N ATOM 0 H LYS A 96 -3.035 -6.457 5.139 1.00 0.38 H new ATOM 0 HA LYS A 96 -5.780 -7.016 5.952 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -3.762 -4.942 6.907 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -5.265 -5.364 7.704 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -4.470 -7.528 8.313 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -3.133 -7.450 7.182 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -2.187 -7.063 9.338 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -2.211 -5.503 8.541 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -4.377 -4.981 9.709 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -4.255 -6.508 10.560 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -3.411 -4.690 11.897 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -2.154 -5.770 11.528 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -2.272 -4.290 10.703 1.00 2.12 H new ATOM 1464 N PHE A 97 -5.268 -4.889 3.777 1.00 0.39 N ATOM 1465 CA PHE A 97 -5.805 -3.816 2.935 1.00 0.40 C ATOM 1466 C PHE A 97 -7.340 -3.709 2.955 1.00 0.48 C ATOM 1467 O PHE A 97 -7.878 -2.679 2.551 1.00 0.56 O ATOM 1468 CB PHE A 97 -5.306 -3.943 1.481 1.00 0.37 C ATOM 1469 CG PHE A 97 -5.168 -5.350 0.936 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -5.830 -6.400 1.561 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.400 -5.631 -0.186 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -5.728 -7.694 1.080 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -4.300 -6.924 -0.670 1.00 0.50 C ATOM 1474 CZ PHE A 97 -4.865 -7.922 -0.094 1.00 0.53 C ATOM 0 H PHE A 97 -4.536 -5.441 3.329 1.00 0.39 H new ATOM 0 HA PHE A 97 -5.424 -2.894 3.375 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -5.990 -3.392 0.836 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -4.335 -3.452 1.409 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.433 -6.203 2.435 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -3.874 -4.831 -0.687 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -6.262 -8.508 1.548 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -3.724 -7.100 -1.567 1.00 0.50 H new ATOM 0 HZ PHE A 97 -4.709 -8.924 -0.467 1.00 0.53 H new ATOM 1484 N TRP A 98 -8.055 -4.742 3.413 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.521 -4.660 3.452 1.00 0.63 C ATOM 1486 C TRP A 98 -10.106 -5.070 4.803 1.00 0.69 C ATOM 1487 O TRP A 98 -11.306 -4.912 5.027 1.00 0.78 O ATOM 1488 CB TRP A 98 -10.169 -5.484 2.328 1.00 0.67 C ATOM 1489 CG TRP A 98 -9.677 -6.897 2.220 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -8.900 -7.408 1.224 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -9.946 -7.985 3.116 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -8.645 -8.737 1.454 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -9.280 -9.116 2.607 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -10.676 -8.114 4.302 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -9.322 -10.355 3.239 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -10.719 -9.345 4.928 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -10.045 -10.451 4.396 1.00 1.00 C ATOM 0 H TRP A 98 -7.660 -5.619 3.752 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.758 -3.607 3.298 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -11.248 -5.501 2.484 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -9.992 -4.979 1.378 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -8.537 -6.848 0.375 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -8.076 -9.343 0.863 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -11.197 -7.266 4.721 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -8.803 -11.209 2.831 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -11.282 -9.456 5.843 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -10.097 -11.399 4.910 1.00 1.00 H new ATOM 1508 N LYS A 99 -9.278 -5.592 5.703 1.00 0.75 N ATOM 1509 CA LYS A 99 -9.767 -6.003 7.016 1.00 0.91 C ATOM 1510 C LYS A 99 -9.514 -4.915 8.053 1.00 1.11 C ATOM 1511 O LYS A 99 -10.028 -4.976 9.170 1.00 1.33 O ATOM 1512 CB LYS A 99 -9.114 -7.320 7.450 1.00 0.90 C ATOM 1513 CG LYS A 99 -7.609 -7.232 7.683 1.00 0.87 C ATOM 1514 CD LYS A 99 -7.260 -6.736 9.083 1.00 1.38 C ATOM 1515 CE LYS A 99 -7.882 -7.607 10.161 1.00 1.51 C ATOM 1516 NZ LYS A 99 -7.582 -7.097 11.528 1.00 1.67 N ATOM 0 H LYS A 99 -8.280 -5.739 5.552 1.00 0.75 H new ATOM 0 HA LYS A 99 -10.843 -6.161 6.941 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -9.592 -7.663 8.368 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -9.308 -8.075 6.688 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -7.163 -8.214 7.528 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.169 -6.562 6.944 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -6.177 -6.724 9.205 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -7.605 -5.709 9.201 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -8.962 -7.647 10.017 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -7.509 -8.627 10.064 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -8.024 -7.719 12.235 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -6.553 -7.082 11.675 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -7.960 -6.133 11.630 1.00 1.67 H new