USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 722 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 SER OG : rot 87:sc= 0.708 USER MOD Set 1.2: A 94 SER OG : rot 46:sc= 0.88 USER MOD Set 2.1: A 12 CYS SG : rot 115:sc= 0.0195 USER MOD Set 2.2: A 49 THR OG1 : rot 89:sc= 1.58 USER MOD Set 2.3: A 50 HIS : no HD1:sc= 1.02 K(o=2.6,f=-0.35) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -160:sc= 0.419 (180deg=0.158) USER MOD Single : A 11 ASN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 28 HIS : no HD1:sc= -0.374 K(o=-0.37,f=-1.1) USER MOD Single : A 30 MET CE :methyl -124:sc= -0.0112 (180deg=-0.684) USER MOD Single : A 34 HIS : no HE2:sc= -2.55 K(o=-2.6,f=-5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.0095) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 134:sc= -0.431 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= 0.664 (180deg=0.351) USER MOD Single : A 60 LYS NZ :NH3+ 169:sc= -0.0296 (180deg=-0.191) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 67 TYR OH : rot 6:sc= 0.00989 USER MOD Single : A 68 LYS NZ :NH3+ -141:sc= 0.863 (180deg=0.158) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 86:sc= 0.52 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 90 TYR OH : rot -142:sc= 0.346 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 7 -1.527 -14.255 4.404 1.00 0.00 N ATOM 84 CA LYS A 7 -2.664 -13.407 3.947 1.00 0.00 C ATOM 85 C LYS A 7 -4.044 -13.947 4.401 1.00 0.00 C ATOM 86 O LYS A 7 -5.050 -13.754 3.710 1.00 0.00 O ATOM 87 CB LYS A 7 -2.581 -13.277 2.399 1.00 0.00 C ATOM 88 CG LYS A 7 -1.311 -12.546 1.903 1.00 0.00 C ATOM 89 CD LYS A 7 -1.080 -12.688 0.384 1.00 0.00 C ATOM 90 CE LYS A 7 -2.226 -12.123 -0.474 1.00 0.00 C ATOM 91 NZ LYS A 7 -1.957 -12.290 -1.926 1.00 0.00 N ATOM 0 HA LYS A 7 -2.577 -12.425 4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.612 -14.273 1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.461 -12.742 2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.387 -11.488 2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.444 -12.938 2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.154 -12.179 0.118 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.944 -13.742 0.144 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.157 -12.627 -0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.363 -11.065 -0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.750 -11.898 -2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.081 -11.788 -2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.851 -13.301 -2.145 1.00 0.00 H new ATOM 105 N ILE A 8 -4.069 -14.558 5.594 1.00 0.00 N ATOM 106 CA ILE A 8 -5.237 -15.258 6.168 1.00 0.00 C ATOM 107 C ILE A 8 -6.497 -14.367 6.211 1.00 0.00 C ATOM 108 O ILE A 8 -7.587 -14.776 5.788 1.00 0.00 O ATOM 109 CB ILE A 8 -4.912 -15.701 7.644 1.00 0.00 C ATOM 110 CG1 ILE A 8 -3.567 -16.479 7.713 1.00 0.00 C ATOM 111 CG2 ILE A 8 -6.066 -16.532 8.252 1.00 0.00 C ATOM 112 CD1 ILE A 8 -3.128 -16.853 9.113 1.00 0.00 C ATOM 0 H ILE A 8 -3.255 -14.582 6.208 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.438 -16.115 5.526 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.807 -14.796 8.242 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.657 -17.389 7.119 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.787 -15.873 7.251 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.809 -16.821 9.271 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.978 -15.935 8.264 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.226 -17.427 7.650 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.182 -17.392 9.066 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.001 -15.949 9.708 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.885 -17.488 9.574 1.00 0.00 H new ATOM 124 N PHE A 9 -6.317 -13.140 6.724 1.00 0.00 N ATOM 125 CA PHE A 9 -7.423 -12.205 6.987 1.00 0.00 C ATOM 126 C PHE A 9 -7.374 -11.012 6.027 1.00 0.00 C ATOM 127 O PHE A 9 -8.104 -10.048 6.231 1.00 0.00 O ATOM 128 CB PHE A 9 -7.368 -11.716 8.465 1.00 0.00 C ATOM 129 CG PHE A 9 -7.434 -12.844 9.489 1.00 0.00 C ATOM 130 CD1 PHE A 9 -8.561 -13.665 9.569 1.00 0.00 C ATOM 131 CD2 PHE A 9 -6.369 -13.103 10.353 1.00 0.00 C ATOM 132 CE1 PHE A 9 -8.618 -14.701 10.478 1.00 0.00 C ATOM 133 CE2 PHE A 9 -6.431 -14.143 11.258 1.00 0.00 C ATOM 134 CZ PHE A 9 -7.554 -14.940 11.318 1.00 0.00 C ATOM 0 H PHE A 9 -5.400 -12.767 6.969 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.364 -12.731 6.822 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.447 -11.153 8.618 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.195 -11.029 8.642 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.398 -13.486 8.911 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.486 -12.482 10.313 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.498 -15.325 10.531 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.599 -14.333 11.920 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.599 -15.754 12.026 1.00 0.00 H new ATOM 144 N LYS A 10 -6.554 -11.113 4.960 1.00 0.00 N ATOM 145 CA LYS A 10 -6.235 -9.974 4.067 1.00 0.00 C ATOM 146 C LYS A 10 -7.521 -9.365 3.460 1.00 0.00 C ATOM 147 O LYS A 10 -7.760 -8.151 3.566 1.00 0.00 O ATOM 148 CB LYS A 10 -5.223 -10.427 2.966 1.00 0.00 C ATOM 149 CG LYS A 10 -4.468 -9.276 2.241 1.00 0.00 C ATOM 150 CD LYS A 10 -5.301 -8.554 1.133 1.00 0.00 C ATOM 151 CE LYS A 10 -5.056 -7.034 1.096 1.00 0.00 C ATOM 152 NZ LYS A 10 -5.456 -6.381 2.373 1.00 0.00 N ATOM 0 H LYS A 10 -6.094 -11.983 4.692 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.762 -9.186 4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.488 -11.090 3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.761 -11.012 2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.156 -8.540 2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.561 -9.680 1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.052 -8.981 0.162 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.361 -8.742 1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.001 -6.840 0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.617 -6.595 0.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.602 -5.364 2.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.339 -6.807 2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.706 -6.515 3.081 1.00 0.00 H new ATOM 166 N ASN A 11 -8.331 -10.228 2.836 1.00 0.00 N ATOM 167 CA ASN A 11 -9.624 -9.847 2.237 1.00 0.00 C ATOM 168 C ASN A 11 -10.755 -9.926 3.292 1.00 0.00 C ATOM 169 O ASN A 11 -11.806 -9.287 3.131 1.00 0.00 O ATOM 170 CB ASN A 11 -9.923 -10.764 1.018 1.00 0.00 C ATOM 171 CG ASN A 11 -11.169 -10.371 0.200 1.00 0.00 C ATOM 172 OD1 ASN A 11 -11.857 -11.232 -0.347 1.00 0.00 O ATOM 173 ND2 ASN A 11 -11.445 -9.078 0.069 1.00 0.00 N ATOM 0 H ASN A 11 -8.110 -11.218 2.730 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.571 -8.815 1.889 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.056 -10.759 0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.047 -11.787 1.373 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.242 -8.781 -0.495 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.860 -8.382 0.532 1.00 0.00 H new ATOM 180 N CYS A 12 -10.529 -10.705 4.370 1.00 0.00 N ATOM 181 CA CYS A 12 -11.492 -10.835 5.478 1.00 0.00 C ATOM 182 C CYS A 12 -11.525 -9.542 6.325 1.00 0.00 C ATOM 183 O CYS A 12 -10.481 -8.981 6.686 1.00 0.00 O ATOM 184 CB CYS A 12 -11.134 -12.042 6.378 1.00 0.00 C ATOM 185 SG CYS A 12 -11.014 -13.622 5.513 1.00 0.00 S ATOM 0 H CYS A 12 -9.680 -11.257 4.495 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.479 -11.000 5.046 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.183 -11.840 6.871 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -11.887 -12.129 7.162 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.790 -14.057 5.571 1.00 0.00 H new ATOM 191 N VAL A 13 -12.737 -9.056 6.597 1.00 0.00 N ATOM 192 CA VAL A 13 -12.969 -7.920 7.498 1.00 0.00 C ATOM 193 C VAL A 13 -13.549 -8.467 8.815 1.00 0.00 C ATOM 194 O VAL A 13 -14.546 -9.190 8.780 1.00 0.00 O ATOM 195 CB VAL A 13 -13.962 -6.892 6.856 1.00 0.00 C ATOM 196 CG1 VAL A 13 -14.045 -5.604 7.698 1.00 0.00 C ATOM 197 CG2 VAL A 13 -13.584 -6.575 5.390 1.00 0.00 C ATOM 0 H VAL A 13 -13.593 -9.440 6.197 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.030 -7.399 7.683 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.950 -7.353 6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.741 -4.908 7.230 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.395 -5.847 8.701 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.058 -5.145 7.759 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.295 -5.859 4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.581 -6.151 5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.610 -7.492 4.801 1.00 0.00 H new ATOM 207 N ILE A 14 -12.916 -8.163 9.965 1.00 0.00 N ATOM 208 CA ILE A 14 -13.314 -8.739 11.271 1.00 0.00 C ATOM 209 C ILE A 14 -13.692 -7.631 12.292 1.00 0.00 C ATOM 210 O ILE A 14 -12.896 -6.740 12.584 1.00 0.00 O ATOM 211 CB ILE A 14 -12.194 -9.674 11.891 1.00 0.00 C ATOM 212 CG1 ILE A 14 -11.823 -10.891 10.960 1.00 0.00 C ATOM 213 CG2 ILE A 14 -12.608 -10.179 13.291 1.00 0.00 C ATOM 214 CD1 ILE A 14 -10.844 -10.578 9.841 1.00 0.00 C ATOM 0 H ILE A 14 -12.125 -7.521 10.019 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.192 -9.353 11.071 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.299 -9.058 11.982 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.402 -11.684 11.578 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.740 -11.283 10.519 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.823 -10.818 13.694 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -12.760 -9.328 13.955 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -13.535 -10.748 13.213 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.655 -11.481 9.260 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.266 -9.810 9.192 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.907 -10.218 10.267 1.00 0.00 H new ATOM 226 N TYR A 15 -14.922 -7.718 12.830 1.00 0.00 N ATOM 227 CA TYR A 15 -15.403 -6.896 13.960 1.00 0.00 C ATOM 228 C TYR A 15 -15.447 -7.781 15.202 1.00 0.00 C ATOM 229 O TYR A 15 -15.968 -8.875 15.135 1.00 0.00 O ATOM 230 CB TYR A 15 -16.817 -6.331 13.650 1.00 0.00 C ATOM 231 CG TYR A 15 -17.569 -5.713 14.853 1.00 0.00 C ATOM 232 CD1 TYR A 15 -17.097 -4.570 15.496 1.00 0.00 C ATOM 233 CD2 TYR A 15 -18.748 -6.289 15.351 1.00 0.00 C ATOM 234 CE1 TYR A 15 -17.764 -4.026 16.580 1.00 0.00 C ATOM 235 CE2 TYR A 15 -19.413 -5.748 16.435 1.00 0.00 C ATOM 236 CZ TYR A 15 -18.917 -4.619 17.047 1.00 0.00 C ATOM 237 OH TYR A 15 -19.573 -4.081 18.137 1.00 0.00 O ATOM 0 H TYR A 15 -15.624 -8.373 12.486 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.733 -6.052 14.124 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -16.723 -5.571 12.874 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -17.427 -7.134 13.237 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -16.192 -4.099 15.141 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -19.144 -7.175 14.877 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -17.381 -3.137 17.060 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -20.319 -6.209 16.801 1.00 0.00 H new ATOM 0 HH TYR A 15 -20.368 -4.617 18.338 1.00 0.00 H new ATOM 247 N ILE A 16 -14.905 -7.317 16.335 1.00 0.00 N ATOM 248 CA ILE A 16 -14.923 -8.092 17.589 1.00 0.00 C ATOM 249 C ILE A 16 -16.044 -7.566 18.495 1.00 0.00 C ATOM 250 O ILE A 16 -16.159 -6.353 18.718 1.00 0.00 O ATOM 251 CB ILE A 16 -13.530 -8.057 18.314 1.00 0.00 C ATOM 252 CG1 ILE A 16 -12.405 -8.543 17.330 1.00 0.00 C ATOM 253 CG2 ILE A 16 -13.556 -8.912 19.616 1.00 0.00 C ATOM 254 CD1 ILE A 16 -11.006 -8.600 17.917 1.00 0.00 C ATOM 0 H ILE A 16 -14.448 -6.409 16.412 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.121 -9.138 17.353 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.311 -7.030 18.608 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.669 -9.536 16.966 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.391 -7.880 16.465 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.579 -8.870 20.098 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.313 -8.518 20.295 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.794 -9.946 19.367 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.306 -8.947 17.157 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.712 -7.606 18.254 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.994 -9.288 18.762 1.00 0.00 H new ATOM 266 N ASN A 17 -16.866 -8.497 19.002 1.00 0.00 N ATOM 267 CA ASN A 17 -18.075 -8.193 19.780 1.00 0.00 C ATOM 268 C ASN A 17 -18.080 -9.044 21.060 1.00 0.00 C ATOM 269 O ASN A 17 -17.890 -10.264 20.997 1.00 0.00 O ATOM 270 CB ASN A 17 -19.331 -8.490 18.917 1.00 0.00 C ATOM 271 CG ASN A 17 -20.651 -8.062 19.561 1.00 0.00 C ATOM 272 OD1 ASN A 17 -20.704 -7.082 20.311 1.00 0.00 O ATOM 273 ND2 ASN A 17 -21.726 -8.785 19.263 1.00 0.00 N ATOM 0 H ASN A 17 -16.706 -9.497 18.881 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.087 -7.140 20.060 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.227 -7.983 17.958 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -19.371 -9.559 18.710 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.633 -8.537 19.658 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.644 -9.588 18.639 1.00 0.00 H new ATOM 280 N GLY A 18 -18.285 -8.389 22.214 1.00 0.00 N ATOM 281 CA GLY A 18 -18.281 -9.071 23.516 1.00 0.00 C ATOM 282 C GLY A 18 -16.875 -9.342 24.040 1.00 0.00 C ATOM 283 O GLY A 18 -15.882 -9.097 23.338 1.00 0.00 O ATOM 0 H GLY A 18 -18.456 -7.385 22.270 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.822 -8.463 24.241 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.818 -10.015 23.428 1.00 0.00 H new ATOM 287 N TYR A 19 -16.787 -9.858 25.274 1.00 0.00 N ATOM 288 CA TYR A 19 -15.503 -10.208 25.907 1.00 0.00 C ATOM 289 C TYR A 19 -15.044 -11.584 25.425 1.00 0.00 C ATOM 290 O TYR A 19 -15.671 -12.600 25.735 1.00 0.00 O ATOM 291 CB TYR A 19 -15.628 -10.167 27.445 1.00 0.00 C ATOM 292 CG TYR A 19 -15.853 -8.741 27.983 1.00 0.00 C ATOM 293 CD1 TYR A 19 -14.774 -7.877 28.189 1.00 0.00 C ATOM 294 CD2 TYR A 19 -17.138 -8.247 28.250 1.00 0.00 C ATOM 295 CE1 TYR A 19 -14.964 -6.585 28.646 1.00 0.00 C ATOM 296 CE2 TYR A 19 -17.329 -6.949 28.705 1.00 0.00 C ATOM 297 CZ TYR A 19 -16.241 -6.126 28.901 1.00 0.00 C ATOM 298 OH TYR A 19 -16.425 -4.832 29.358 1.00 0.00 O ATOM 0 H TYR A 19 -17.600 -10.045 25.862 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.751 -9.474 25.617 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -16.457 -10.804 27.756 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -14.723 -10.581 27.891 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -13.772 -8.225 27.987 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.994 -8.887 28.099 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -14.115 -5.936 28.803 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -18.326 -6.586 28.905 1.00 0.00 H new ATOM 0 HH TYR A 19 -17.382 -4.664 29.488 1.00 0.00 H new ATOM 308 N THR A 20 -13.948 -11.585 24.658 1.00 0.00 N ATOM 309 CA THR A 20 -13.390 -12.776 24.000 1.00 0.00 C ATOM 310 C THR A 20 -11.949 -13.015 24.477 1.00 0.00 C ATOM 311 O THR A 20 -11.227 -12.049 24.776 1.00 0.00 O ATOM 312 CB THR A 20 -13.424 -12.584 22.443 1.00 0.00 C ATOM 313 OG1 THR A 20 -12.619 -11.450 22.067 1.00 0.00 O ATOM 314 CG2 THR A 20 -14.860 -12.370 21.925 1.00 0.00 C ATOM 0 H THR A 20 -13.410 -10.738 24.472 1.00 0.00 H new ATOM 0 HA THR A 20 -13.991 -13.646 24.263 1.00 0.00 H new ATOM 0 HB THR A 20 -13.026 -13.495 21.995 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.645 -11.339 21.094 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.841 -12.241 20.843 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.471 -13.237 22.176 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.285 -11.480 22.389 1.00 0.00 H new ATOM 322 N LYS A 21 -11.542 -14.299 24.594 1.00 0.00 N ATOM 323 CA LYS A 21 -10.141 -14.670 24.912 1.00 0.00 C ATOM 324 C LYS A 21 -9.366 -15.076 23.631 1.00 0.00 C ATOM 325 O LYS A 21 -9.835 -15.924 22.873 1.00 0.00 O ATOM 326 CB LYS A 21 -10.058 -15.827 25.936 1.00 0.00 C ATOM 327 CG LYS A 21 -10.780 -15.573 27.282 1.00 0.00 C ATOM 328 CD LYS A 21 -10.244 -14.333 28.050 1.00 0.00 C ATOM 329 CE LYS A 21 -8.753 -14.446 28.428 1.00 0.00 C ATOM 330 NZ LYS A 21 -8.302 -13.296 29.247 1.00 0.00 N ATOM 0 H LYS A 21 -12.164 -15.098 24.473 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.685 -13.784 25.353 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.478 -16.724 25.481 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.008 -16.035 26.140 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.846 -15.441 27.094 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.674 -16.455 27.914 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.390 -13.444 27.437 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.832 -14.194 28.957 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.587 -15.372 28.979 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.152 -14.504 27.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.295 -13.410 29.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.436 -12.415 28.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.858 -13.256 30.125 1.00 0.00 H new ATOM 344 N PRO A 22 -8.152 -14.494 23.371 1.00 0.00 N ATOM 345 CA PRO A 22 -7.508 -13.461 24.219 1.00 0.00 C ATOM 346 C PRO A 22 -8.075 -12.053 23.932 1.00 0.00 C ATOM 347 O PRO A 22 -8.951 -11.911 23.063 1.00 0.00 O ATOM 348 CB PRO A 22 -6.032 -13.595 23.819 1.00 0.00 C ATOM 349 CG PRO A 22 -6.089 -13.886 22.351 1.00 0.00 C ATOM 350 CD PRO A 22 -7.304 -14.792 22.181 1.00 0.00 C ATOM 0 HA PRO A 22 -7.676 -13.595 25.288 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.476 -12.680 24.025 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.539 -14.398 24.368 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.194 -12.970 21.770 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.178 -14.377 22.009 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.833 -14.579 21.252 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.016 -15.843 22.150 1.00 0.00 H new ATOM 358 N GLY A 23 -7.597 -11.048 24.695 1.00 0.00 N ATOM 359 CA GLY A 23 -8.067 -9.662 24.579 1.00 0.00 C ATOM 360 C GLY A 23 -8.177 -9.161 23.138 1.00 0.00 C ATOM 361 O GLY A 23 -7.303 -9.459 22.318 1.00 0.00 O ATOM 0 H GLY A 23 -6.877 -11.179 25.405 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.043 -9.579 25.057 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.387 -9.011 25.128 1.00 0.00 H new ATOM 365 N ARG A 24 -9.265 -8.417 22.842 1.00 0.00 N ATOM 366 CA ARG A 24 -9.574 -7.919 21.485 1.00 0.00 C ATOM 367 C ARG A 24 -8.419 -7.128 20.876 1.00 0.00 C ATOM 368 O ARG A 24 -8.245 -7.156 19.665 1.00 0.00 O ATOM 369 CB ARG A 24 -10.901 -7.115 21.443 1.00 0.00 C ATOM 370 CG ARG A 24 -10.984 -5.876 22.363 1.00 0.00 C ATOM 371 CD ARG A 24 -12.301 -5.090 22.161 1.00 0.00 C ATOM 372 NE ARG A 24 -13.499 -5.931 22.393 1.00 0.00 N ATOM 373 CZ ARG A 24 -14.700 -5.764 21.815 1.00 0.00 C ATOM 374 NH1 ARG A 24 -14.903 -4.809 20.920 1.00 0.00 N ATOM 375 NH2 ARG A 24 -15.707 -6.555 22.150 1.00 0.00 N ATOM 0 H ARG A 24 -9.956 -8.144 23.541 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.714 -8.803 20.863 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.071 -6.790 20.417 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.717 -7.789 21.703 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.906 -6.191 23.403 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.136 -5.220 22.165 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.321 -4.238 22.840 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.331 -4.690 21.147 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.403 -6.705 23.050 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.140 -4.184 20.659 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.822 -4.698 20.492 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.570 -7.289 22.845 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.620 -6.431 21.713 1.00 0.00 H new ATOM 389 N LEU A 25 -7.656 -6.413 21.721 1.00 0.00 N ATOM 390 CA LEU A 25 -6.449 -5.684 21.287 1.00 0.00 C ATOM 391 C LEU A 25 -5.453 -6.633 20.568 1.00 0.00 C ATOM 392 O LEU A 25 -4.951 -6.295 19.496 1.00 0.00 O ATOM 393 CB LEU A 25 -5.806 -4.911 22.493 1.00 0.00 C ATOM 394 CG LEU A 25 -5.320 -5.735 23.753 1.00 0.00 C ATOM 395 CD1 LEU A 25 -3.893 -6.323 23.587 1.00 0.00 C ATOM 396 CD2 LEU A 25 -5.397 -4.888 25.047 1.00 0.00 C ATOM 0 H LEU A 25 -7.856 -6.324 22.717 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.735 -4.932 20.552 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.949 -4.356 22.111 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.533 -4.176 22.839 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.007 -6.577 23.836 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.621 -6.876 24.486 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.874 -6.994 22.728 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.181 -5.512 23.430 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.056 -5.485 25.893 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.762 -4.008 24.944 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.427 -4.574 25.216 1.00 0.00 H new ATOM 408 N GLN A 26 -5.237 -7.841 21.142 1.00 0.00 N ATOM 409 CA GLN A 26 -4.292 -8.845 20.597 1.00 0.00 C ATOM 410 C GLN A 26 -4.865 -9.507 19.337 1.00 0.00 C ATOM 411 O GLN A 26 -4.156 -9.669 18.346 1.00 0.00 O ATOM 412 CB GLN A 26 -3.929 -9.920 21.662 1.00 0.00 C ATOM 413 CG GLN A 26 -2.948 -11.012 21.160 1.00 0.00 C ATOM 414 CD GLN A 26 -2.410 -11.930 22.256 1.00 0.00 C ATOM 415 OE1 GLN A 26 -3.061 -12.172 23.267 1.00 0.00 O ATOM 416 NE2 GLN A 26 -1.216 -12.464 22.050 1.00 0.00 N ATOM 0 H GLN A 26 -5.711 -8.146 21.992 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.376 -8.321 20.325 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.489 -9.423 22.527 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.846 -10.401 22.003 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.453 -11.620 20.410 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.107 -10.527 20.664 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.699 -12.244 21.199 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.814 -13.096 22.742 1.00 0.00 H new ATOM 425 N LEU A 27 -6.160 -9.888 19.393 1.00 0.00 N ATOM 426 CA LEU A 27 -6.885 -10.456 18.228 1.00 0.00 C ATOM 427 C LEU A 27 -6.843 -9.492 17.026 1.00 0.00 C ATOM 428 O LEU A 27 -6.677 -9.928 15.894 1.00 0.00 O ATOM 429 CB LEU A 27 -8.351 -10.778 18.600 1.00 0.00 C ATOM 430 CG LEU A 27 -8.579 -11.998 19.537 1.00 0.00 C ATOM 431 CD1 LEU A 27 -10.055 -12.091 19.979 1.00 0.00 C ATOM 432 CD2 LEU A 27 -8.120 -13.307 18.852 1.00 0.00 C ATOM 0 H LEU A 27 -6.730 -9.813 20.236 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.384 -11.382 17.944 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.783 -9.898 19.076 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.907 -10.948 17.678 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.974 -11.854 20.432 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.185 -12.953 20.633 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.332 -11.183 20.515 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.691 -12.202 19.101 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.288 -14.148 19.525 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.689 -13.457 17.935 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.059 -13.240 18.613 1.00 0.00 H new ATOM 444 N HIS A 28 -6.974 -8.181 17.313 1.00 0.00 N ATOM 445 CA HIS A 28 -6.894 -7.112 16.295 1.00 0.00 C ATOM 446 C HIS A 28 -5.496 -7.093 15.661 1.00 0.00 C ATOM 447 O HIS A 28 -5.376 -7.002 14.449 1.00 0.00 O ATOM 448 CB HIS A 28 -7.260 -5.727 16.912 1.00 0.00 C ATOM 449 CG HIS A 28 -8.738 -5.494 17.069 1.00 0.00 C ATOM 450 ND1 HIS A 28 -9.299 -4.965 18.208 1.00 0.00 N ATOM 451 CD2 HIS A 28 -9.764 -5.720 16.218 1.00 0.00 C ATOM 452 CE1 HIS A 28 -10.602 -4.876 18.055 1.00 0.00 C ATOM 453 NE2 HIS A 28 -10.916 -5.328 16.853 1.00 0.00 N ATOM 0 H HIS A 28 -7.138 -7.833 18.257 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.621 -7.319 15.510 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -6.784 -5.639 17.889 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.844 -4.940 16.283 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.691 -6.133 15.223 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.299 -4.497 18.788 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.857 -5.377 16.463 1.00 0.00 H new ATOM 462 N GLU A 29 -4.454 -7.238 16.497 1.00 0.00 N ATOM 463 CA GLU A 29 -3.042 -7.301 16.029 1.00 0.00 C ATOM 464 C GLU A 29 -2.812 -8.540 15.132 1.00 0.00 C ATOM 465 O GLU A 29 -2.074 -8.482 14.144 1.00 0.00 O ATOM 466 CB GLU A 29 -2.082 -7.317 17.248 1.00 0.00 C ATOM 467 CG GLU A 29 -2.103 -6.025 18.089 1.00 0.00 C ATOM 468 CD GLU A 29 -1.295 -6.135 19.396 1.00 0.00 C ATOM 469 OE1 GLU A 29 -0.046 -6.202 19.331 1.00 0.00 O ATOM 470 OE2 GLU A 29 -1.902 -6.170 20.492 1.00 0.00 O ATOM 0 H GLU A 29 -4.555 -7.315 17.509 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.833 -6.415 15.430 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.342 -8.159 17.890 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.066 -7.489 16.893 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.705 -5.205 17.492 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.136 -5.773 18.329 1.00 0.00 H new ATOM 477 N MET A 30 -3.489 -9.648 15.481 1.00 0.00 N ATOM 478 CA MET A 30 -3.445 -10.913 14.713 1.00 0.00 C ATOM 479 C MET A 30 -4.087 -10.737 13.328 1.00 0.00 C ATOM 480 O MET A 30 -3.718 -11.413 12.373 1.00 0.00 O ATOM 481 CB MET A 30 -4.142 -12.057 15.495 1.00 0.00 C ATOM 482 CG MET A 30 -3.504 -12.426 16.849 1.00 0.00 C ATOM 483 SD MET A 30 -1.793 -13.030 16.722 1.00 0.00 S ATOM 484 CE MET A 30 -0.804 -11.536 16.891 1.00 0.00 C ATOM 0 H MET A 30 -4.086 -9.695 16.307 1.00 0.00 H new ATOM 0 HA MET A 30 -2.399 -11.183 14.571 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.180 -11.774 15.668 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.155 -12.947 14.866 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.522 -11.550 17.498 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.114 -13.191 17.330 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.148 -11.434 16.027 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.462 -10.669 16.951 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.202 -11.599 17.798 1.00 0.00 H new ATOM 494 N ILE A 31 -5.086 -9.854 13.253 1.00 0.00 N ATOM 495 CA ILE A 31 -5.730 -9.493 11.977 1.00 0.00 C ATOM 496 C ILE A 31 -4.775 -8.646 11.097 1.00 0.00 C ATOM 497 O ILE A 31 -4.470 -9.028 9.962 1.00 0.00 O ATOM 498 CB ILE A 31 -7.074 -8.713 12.238 1.00 0.00 C ATOM 499 CG1 ILE A 31 -8.050 -9.556 13.127 1.00 0.00 C ATOM 500 CG2 ILE A 31 -7.758 -8.304 10.915 1.00 0.00 C ATOM 501 CD1 ILE A 31 -9.212 -8.763 13.714 1.00 0.00 C ATOM 0 H ILE A 31 -5.472 -9.370 14.064 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.961 -10.414 11.441 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.821 -7.801 12.778 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.450 -10.375 12.529 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.483 -10.004 13.943 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.682 -7.768 11.133 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.090 -7.658 10.345 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.985 -9.196 10.332 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.837 -9.424 14.315 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.825 -7.960 14.341 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.807 -8.337 12.906 1.00 0.00 H new ATOM 513 N VAL A 32 -4.239 -7.552 11.675 1.00 0.00 N ATOM 514 CA VAL A 32 -3.507 -6.509 10.910 1.00 0.00 C ATOM 515 C VAL A 32 -2.169 -7.036 10.352 1.00 0.00 C ATOM 516 O VAL A 32 -1.836 -6.793 9.187 1.00 0.00 O ATOM 517 CB VAL A 32 -3.233 -5.218 11.767 1.00 0.00 C ATOM 518 CG1 VAL A 32 -2.666 -4.084 10.880 1.00 0.00 C ATOM 519 CG2 VAL A 32 -4.501 -4.738 12.503 1.00 0.00 C ATOM 0 H VAL A 32 -4.297 -7.363 12.676 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.161 -6.243 10.079 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.492 -5.481 12.521 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.483 -3.200 11.492 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.730 -4.411 10.426 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.384 -3.841 10.097 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.269 -3.845 13.083 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.278 -4.506 11.775 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.853 -5.524 13.172 1.00 0.00 H new ATOM 529 N LEU A 33 -1.426 -7.779 11.195 1.00 0.00 N ATOM 530 CA LEU A 33 -0.103 -8.355 10.830 1.00 0.00 C ATOM 531 C LEU A 33 -0.202 -9.338 9.644 1.00 0.00 C ATOM 532 O LEU A 33 0.796 -9.623 8.993 1.00 0.00 O ATOM 533 CB LEU A 33 0.560 -9.042 12.072 1.00 0.00 C ATOM 534 CG LEU A 33 1.480 -8.138 12.958 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.737 -7.702 12.175 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.717 -6.919 13.516 1.00 0.00 C ATOM 0 H LEU A 33 -1.719 -8.000 12.147 1.00 0.00 H new ATOM 0 HA LEU A 33 0.532 -7.530 10.507 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.232 -9.445 12.703 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.150 -9.889 11.720 1.00 0.00 H new ATOM 0 HG LEU A 33 1.802 -8.733 13.813 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.362 -7.074 12.810 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.300 -8.584 11.870 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.438 -7.139 11.291 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.390 -6.316 14.126 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.339 -6.317 12.690 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.118 -7.261 14.127 1.00 0.00 H new ATOM 548 N HIS A 34 -1.414 -9.843 9.387 1.00 0.00 N ATOM 549 CA HIS A 34 -1.704 -10.785 8.289 1.00 0.00 C ATOM 550 C HIS A 34 -2.346 -10.051 7.090 1.00 0.00 C ATOM 551 O HIS A 34 -3.036 -10.663 6.259 1.00 0.00 O ATOM 552 CB HIS A 34 -2.608 -11.900 8.868 1.00 0.00 C ATOM 553 CG HIS A 34 -1.882 -12.694 9.919 1.00 0.00 C ATOM 554 ND1 HIS A 34 -1.505 -12.149 11.128 1.00 0.00 N ATOM 555 CD2 HIS A 34 -1.376 -13.940 9.905 1.00 0.00 C ATOM 556 CE1 HIS A 34 -0.794 -13.021 11.804 1.00 0.00 C ATOM 557 NE2 HIS A 34 -0.700 -14.118 11.086 1.00 0.00 N ATOM 0 H HIS A 34 -2.237 -9.608 9.942 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.790 -11.232 7.899 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.506 -11.457 9.298 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.932 -12.563 8.066 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.743 -11.210 11.449 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.482 -14.665 9.112 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -0.361 -12.864 12.781 1.00 0.00 H new ATOM 566 N GLY A 35 -2.067 -8.729 7.011 1.00 0.00 N ATOM 567 CA GLY A 35 -2.590 -7.846 5.960 1.00 0.00 C ATOM 568 C GLY A 35 -4.092 -7.634 6.052 1.00 0.00 C ATOM 569 O GLY A 35 -4.724 -7.169 5.091 1.00 0.00 O ATOM 0 H GLY A 35 -1.468 -8.249 7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.088 -6.880 6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.348 -8.269 4.985 1.00 0.00 H new ATOM 573 N GLY A 36 -4.646 -7.935 7.234 1.00 0.00 N ATOM 574 CA GLY A 36 -6.081 -8.071 7.419 1.00 0.00 C ATOM 575 C GLY A 36 -6.797 -6.788 7.753 1.00 0.00 C ATOM 576 O GLY A 36 -6.182 -5.818 8.230 1.00 0.00 O ATOM 0 H GLY A 36 -4.104 -8.089 8.084 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.513 -8.486 6.509 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.264 -8.792 8.216 1.00 0.00 H new ATOM 580 N LYS A 37 -8.122 -6.793 7.525 1.00 0.00 N ATOM 581 CA LYS A 37 -8.991 -5.649 7.801 1.00 0.00 C ATOM 582 C LYS A 37 -9.840 -5.930 9.051 1.00 0.00 C ATOM 583 O LYS A 37 -10.293 -7.057 9.266 1.00 0.00 O ATOM 584 CB LYS A 37 -9.902 -5.368 6.576 1.00 0.00 C ATOM 585 CG LYS A 37 -10.788 -4.108 6.705 1.00 0.00 C ATOM 586 CD LYS A 37 -9.977 -2.792 6.772 1.00 0.00 C ATOM 587 CE LYS A 37 -9.205 -2.507 5.469 1.00 0.00 C ATOM 588 NZ LYS A 37 -8.555 -1.177 5.491 1.00 0.00 N ATOM 0 H LYS A 37 -8.617 -7.598 7.142 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.378 -4.767 7.986 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.275 -5.265 5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.545 -6.233 6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.470 -4.063 5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.402 -4.194 7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.653 -1.962 6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.274 -2.844 7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.449 -3.278 5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.889 -2.563 4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.046 -1.024 4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.278 -0.439 5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.883 -1.132 6.283 1.00 0.00 H new ATOM 602 N PHE A 38 -10.053 -4.887 9.857 1.00 0.00 N ATOM 603 CA PHE A 38 -10.810 -4.950 11.114 1.00 0.00 C ATOM 604 C PHE A 38 -11.647 -3.668 11.248 1.00 0.00 C ATOM 605 O PHE A 38 -11.220 -2.609 10.775 1.00 0.00 O ATOM 606 CB PHE A 38 -9.837 -5.126 12.322 1.00 0.00 C ATOM 607 CG PHE A 38 -8.892 -3.941 12.573 1.00 0.00 C ATOM 608 CD1 PHE A 38 -7.948 -3.553 11.619 1.00 0.00 C ATOM 609 CD2 PHE A 38 -8.955 -3.208 13.760 1.00 0.00 C ATOM 610 CE1 PHE A 38 -7.112 -2.477 11.841 1.00 0.00 C ATOM 611 CE2 PHE A 38 -8.113 -2.136 13.980 1.00 0.00 C ATOM 612 CZ PHE A 38 -7.194 -1.768 13.022 1.00 0.00 C ATOM 0 H PHE A 38 -9.697 -3.954 9.651 1.00 0.00 H new ATOM 0 HA PHE A 38 -11.479 -5.811 11.108 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -10.427 -5.298 13.222 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.237 -6.021 12.158 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.871 -4.104 10.693 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.673 -3.484 14.518 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.392 -2.190 11.089 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.175 -1.584 14.906 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.539 -0.927 13.195 1.00 0.00 H new ATOM 622 N LEU A 39 -12.835 -3.756 11.879 1.00 0.00 N ATOM 623 CA LEU A 39 -13.740 -2.598 12.048 1.00 0.00 C ATOM 624 C LEU A 39 -14.104 -2.393 13.523 1.00 0.00 C ATOM 625 O LEU A 39 -14.356 -3.359 14.253 1.00 0.00 O ATOM 626 CB LEU A 39 -15.019 -2.738 11.178 1.00 0.00 C ATOM 627 CG LEU A 39 -14.804 -2.629 9.632 1.00 0.00 C ATOM 628 CD1 LEU A 39 -16.129 -2.791 8.869 1.00 0.00 C ATOM 629 CD2 LEU A 39 -14.099 -1.304 9.248 1.00 0.00 C ATOM 0 H LEU A 39 -13.193 -4.622 12.283 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.203 -1.714 11.704 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.480 -3.702 11.395 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.729 -1.969 11.483 1.00 0.00 H new ATOM 0 HG LEU A 39 -14.148 -3.449 9.338 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.944 -2.710 7.798 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -16.559 -3.768 9.090 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -16.824 -2.010 9.177 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.966 -1.263 8.167 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.709 -0.460 9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.125 -1.255 9.735 1.00 0.00 H new ATOM 641 N HIS A 40 -14.124 -1.108 13.923 1.00 0.00 N ATOM 642 CA HIS A 40 -14.400 -0.654 15.304 1.00 0.00 C ATOM 643 C HIS A 40 -15.870 -0.883 15.715 1.00 0.00 C ATOM 644 O HIS A 40 -16.157 -1.180 16.883 1.00 0.00 O ATOM 645 CB HIS A 40 -14.027 0.855 15.440 1.00 0.00 C ATOM 646 CG HIS A 40 -14.876 1.829 14.637 1.00 0.00 C ATOM 647 ND1 HIS A 40 -15.266 3.051 15.132 1.00 0.00 N ATOM 648 CD2 HIS A 40 -15.387 1.769 13.372 1.00 0.00 C ATOM 649 CE1 HIS A 40 -15.970 3.695 14.224 1.00 0.00 C ATOM 650 NE2 HIS A 40 -16.057 2.942 13.147 1.00 0.00 N ATOM 0 H HIS A 40 -13.945 -0.336 13.281 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.786 -1.250 15.979 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.091 1.131 16.493 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -12.986 0.980 15.141 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -15.282 0.948 12.678 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -16.404 4.677 14.343 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -16.544 3.192 12.286 1.00 0.00 H new ATOM 659 N TYR A 41 -16.778 -0.752 14.730 1.00 0.00 N ATOM 660 CA TYR A 41 -18.231 -0.767 14.947 1.00 0.00 C ATOM 661 C TYR A 41 -18.953 -0.802 13.592 1.00 0.00 C ATOM 662 O TYR A 41 -18.499 -0.186 12.620 1.00 0.00 O ATOM 663 CB TYR A 41 -18.677 0.479 15.768 1.00 0.00 C ATOM 664 CG TYR A 41 -20.189 0.557 16.052 1.00 0.00 C ATOM 665 CD1 TYR A 41 -20.827 -0.413 16.837 1.00 0.00 C ATOM 666 CD2 TYR A 41 -20.979 1.592 15.537 1.00 0.00 C ATOM 667 CE1 TYR A 41 -22.186 -0.348 17.093 1.00 0.00 C ATOM 668 CE2 TYR A 41 -22.336 1.656 15.795 1.00 0.00 C ATOM 669 CZ TYR A 41 -22.934 0.685 16.571 1.00 0.00 C ATOM 670 OH TYR A 41 -24.288 0.754 16.826 1.00 0.00 O ATOM 0 H TYR A 41 -16.517 -0.632 13.751 1.00 0.00 H new ATOM 0 HA TYR A 41 -18.494 -1.658 15.516 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -18.142 0.481 16.718 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.376 1.378 15.230 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -20.248 -1.226 17.250 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -20.520 2.355 14.926 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -22.659 -1.105 17.701 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -22.926 2.465 15.390 1.00 0.00 H new ATOM 0 HH TYR A 41 -24.664 1.544 16.385 1.00 0.00 H new ATOM 743 N LYS A 46 -23.347 -3.741 6.399 1.00 0.00 N ATOM 744 CA LYS A 46 -22.613 -4.976 6.050 1.00 0.00 C ATOM 745 C LYS A 46 -21.272 -4.637 5.370 1.00 0.00 C ATOM 746 O LYS A 46 -20.999 -5.004 4.218 1.00 0.00 O ATOM 747 CB LYS A 46 -23.478 -5.974 5.210 1.00 0.00 C ATOM 748 CG LYS A 46 -24.122 -5.417 3.919 1.00 0.00 C ATOM 749 CD LYS A 46 -25.423 -4.614 4.164 1.00 0.00 C ATOM 750 CE LYS A 46 -25.938 -3.969 2.875 1.00 0.00 C ATOM 751 NZ LYS A 46 -27.214 -3.231 3.071 1.00 0.00 N ATOM 0 HA LYS A 46 -22.389 -5.499 6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.851 -6.823 4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -24.273 -6.357 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -23.401 -4.776 3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.340 -6.246 3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -26.188 -5.275 4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.239 -3.841 4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -25.183 -3.284 2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -26.083 -4.742 2.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -27.517 -2.815 2.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.945 -3.887 3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.074 -2.474 3.771 1.00 0.00 H new ATOM 765 N THR A 47 -20.446 -3.893 6.113 1.00 0.00 N ATOM 766 CA THR A 47 -19.079 -3.538 5.702 1.00 0.00 C ATOM 767 C THR A 47 -18.072 -4.582 6.256 1.00 0.00 C ATOM 768 O THR A 47 -16.901 -4.607 5.861 1.00 0.00 O ATOM 769 CB THR A 47 -18.739 -2.095 6.205 1.00 0.00 C ATOM 770 OG1 THR A 47 -19.853 -1.227 5.937 1.00 0.00 O ATOM 771 CG2 THR A 47 -17.483 -1.503 5.538 1.00 0.00 C ATOM 0 H THR A 47 -20.707 -3.516 7.024 1.00 0.00 H new ATOM 0 HA THR A 47 -19.007 -3.547 4.614 1.00 0.00 H new ATOM 0 HB THR A 47 -18.538 -2.170 7.274 1.00 0.00 H new ATOM 0 HG1 THR A 47 -19.646 -0.322 6.252 1.00 0.00 H new ATOM 0 HG21 THR A 47 -17.301 -0.502 5.929 1.00 0.00 H new ATOM 0 HG22 THR A 47 -16.624 -2.138 5.752 1.00 0.00 H new ATOM 0 HG23 THR A 47 -17.635 -1.449 4.460 1.00 0.00 H new ATOM 779 N VAL A 48 -18.548 -5.456 7.175 1.00 0.00 N ATOM 780 CA VAL A 48 -17.720 -6.516 7.792 1.00 0.00 C ATOM 781 C VAL A 48 -18.142 -7.899 7.249 1.00 0.00 C ATOM 782 O VAL A 48 -19.298 -8.075 6.856 1.00 0.00 O ATOM 783 CB VAL A 48 -17.818 -6.463 9.367 1.00 0.00 C ATOM 784 CG1 VAL A 48 -19.117 -7.096 9.922 1.00 0.00 C ATOM 785 CG2 VAL A 48 -16.580 -7.073 10.038 1.00 0.00 C ATOM 0 H VAL A 48 -19.512 -5.445 7.507 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.677 -6.346 7.525 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.855 -5.404 9.621 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -19.120 -7.026 11.010 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -19.980 -6.565 9.522 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.167 -8.144 9.626 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.688 -7.016 11.121 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -16.480 -8.116 9.737 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.691 -6.521 9.733 1.00 0.00 H new ATOM 795 N THR A 49 -17.197 -8.864 7.211 1.00 0.00 N ATOM 796 CA THR A 49 -17.464 -10.230 6.701 1.00 0.00 C ATOM 797 C THR A 49 -17.653 -11.224 7.872 1.00 0.00 C ATOM 798 O THR A 49 -18.541 -12.084 7.845 1.00 0.00 O ATOM 799 CB THR A 49 -16.297 -10.724 5.770 1.00 0.00 C ATOM 800 OG1 THR A 49 -15.080 -10.866 6.521 1.00 0.00 O ATOM 801 CG2 THR A 49 -16.041 -9.764 4.594 1.00 0.00 C ATOM 0 H THR A 49 -16.238 -8.722 7.529 1.00 0.00 H new ATOM 0 HA THR A 49 -18.383 -10.190 6.117 1.00 0.00 H new ATOM 0 HB THR A 49 -16.608 -11.688 5.367 1.00 0.00 H new ATOM 0 HG1 THR A 49 -15.032 -11.769 6.899 1.00 0.00 H new ATOM 0 HG21 THR A 49 -15.226 -10.149 3.981 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.944 -9.682 3.988 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.772 -8.781 4.979 1.00 0.00 H new ATOM 809 N HIS A 50 -16.822 -11.059 8.913 1.00 0.00 N ATOM 810 CA HIS A 50 -16.766 -11.957 10.081 1.00 0.00 C ATOM 811 C HIS A 50 -16.864 -11.126 11.358 1.00 0.00 C ATOM 812 O HIS A 50 -16.328 -10.019 11.419 1.00 0.00 O ATOM 813 CB HIS A 50 -15.437 -12.762 10.103 1.00 0.00 C ATOM 814 CG HIS A 50 -15.253 -13.727 8.958 1.00 0.00 C ATOM 815 ND1 HIS A 50 -14.549 -13.416 7.811 1.00 0.00 N ATOM 816 CD2 HIS A 50 -15.670 -15.007 8.798 1.00 0.00 C ATOM 817 CE1 HIS A 50 -14.538 -14.463 7.005 1.00 0.00 C ATOM 818 NE2 HIS A 50 -15.212 -15.442 7.578 1.00 0.00 N ATOM 0 H HIS A 50 -16.159 -10.286 8.969 1.00 0.00 H new ATOM 0 HA HIS A 50 -17.598 -12.659 10.017 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -14.604 -12.059 10.102 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -15.383 -13.318 11.039 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -16.256 -15.580 9.501 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.058 -14.510 6.039 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.367 -16.369 7.181 1.00 0.00 H new ATOM 827 N ILE A 51 -17.560 -11.655 12.366 1.00 0.00 N ATOM 828 CA ILE A 51 -17.635 -11.045 13.705 1.00 0.00 C ATOM 829 C ILE A 51 -17.168 -12.077 14.747 1.00 0.00 C ATOM 830 O ILE A 51 -17.491 -13.252 14.638 1.00 0.00 O ATOM 831 CB ILE A 51 -19.084 -10.523 14.038 1.00 0.00 C ATOM 832 CG1 ILE A 51 -19.508 -9.387 13.044 1.00 0.00 C ATOM 833 CG2 ILE A 51 -19.201 -10.048 15.515 1.00 0.00 C ATOM 834 CD1 ILE A 51 -20.890 -8.792 13.292 1.00 0.00 C ATOM 0 H ILE A 51 -18.091 -12.522 12.281 1.00 0.00 H new ATOM 0 HA ILE A 51 -16.981 -10.173 13.729 1.00 0.00 H new ATOM 0 HB ILE A 51 -19.771 -11.360 13.913 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -18.770 -8.586 13.096 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -19.477 -9.784 12.029 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -20.215 -9.696 15.705 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -18.975 -10.879 16.183 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -18.496 -9.236 15.693 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -21.090 -8.016 12.553 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -21.644 -9.575 13.208 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -20.926 -8.359 14.292 1.00 0.00 H new ATOM 846 N VAL A 52 -16.373 -11.631 15.727 1.00 0.00 N ATOM 847 CA VAL A 52 -15.879 -12.479 16.820 1.00 0.00 C ATOM 848 C VAL A 52 -16.836 -12.410 18.021 1.00 0.00 C ATOM 849 O VAL A 52 -17.329 -11.334 18.368 1.00 0.00 O ATOM 850 CB VAL A 52 -14.441 -12.040 17.268 1.00 0.00 C ATOM 851 CG1 VAL A 52 -13.881 -12.932 18.399 1.00 0.00 C ATOM 852 CG2 VAL A 52 -13.481 -12.016 16.072 1.00 0.00 C ATOM 0 H VAL A 52 -16.052 -10.665 15.785 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.831 -13.504 16.453 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.527 -11.030 17.668 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.884 -12.588 18.674 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.537 -12.873 19.267 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.826 -13.965 18.055 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.490 -11.709 16.407 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.423 -13.012 15.632 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -13.847 -11.310 15.326 1.00 0.00 H new ATOM 862 N ALA A 53 -17.078 -13.569 18.633 1.00 0.00 N ATOM 863 CA ALA A 53 -17.842 -13.710 19.875 1.00 0.00 C ATOM 864 C ALA A 53 -17.379 -14.998 20.572 1.00 0.00 C ATOM 865 O ALA A 53 -16.917 -15.928 19.908 1.00 0.00 O ATOM 866 CB ALA A 53 -19.354 -13.744 19.588 1.00 0.00 C ATOM 0 H ALA A 53 -16.740 -14.460 18.270 1.00 0.00 H new ATOM 0 HA ALA A 53 -17.664 -12.854 20.525 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.900 -13.849 20.525 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.652 -12.818 19.097 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -19.582 -14.589 18.938 1.00 0.00 H new ATOM 872 N SER A 54 -17.477 -15.049 21.908 1.00 0.00 N ATOM 873 CA SER A 54 -17.127 -16.263 22.675 1.00 0.00 C ATOM 874 C SER A 54 -18.296 -17.255 22.597 1.00 0.00 C ATOM 875 O SER A 54 -18.120 -18.432 22.272 1.00 0.00 O ATOM 876 CB SER A 54 -16.806 -15.894 24.138 1.00 0.00 C ATOM 877 OG SER A 54 -15.735 -14.972 24.198 1.00 0.00 O ATOM 0 H SER A 54 -17.794 -14.268 22.483 1.00 0.00 H new ATOM 0 HA SER A 54 -16.238 -16.729 22.249 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.689 -15.465 24.612 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.550 -16.794 24.697 1.00 0.00 H new ATOM 0 HG SER A 54 -15.963 -14.245 24.815 1.00 0.00 H new ATOM 883 N ASN A 55 -19.499 -16.730 22.865 1.00 0.00 N ATOM 884 CA ASN A 55 -20.770 -17.444 22.710 1.00 0.00 C ATOM 885 C ASN A 55 -21.773 -16.473 22.064 1.00 0.00 C ATOM 886 O ASN A 55 -21.767 -15.275 22.383 1.00 0.00 O ATOM 887 CB ASN A 55 -21.284 -17.941 24.092 1.00 0.00 C ATOM 888 CG ASN A 55 -22.501 -18.868 23.998 1.00 0.00 C ATOM 889 OD1 ASN A 55 -22.635 -19.629 23.042 1.00 0.00 O ATOM 890 ND2 ASN A 55 -23.394 -18.811 24.978 1.00 0.00 N ATOM 0 H ASN A 55 -19.616 -15.775 23.203 1.00 0.00 H new ATOM 0 HA ASN A 55 -20.643 -18.323 22.078 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -20.477 -18.466 24.603 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -21.542 -17.078 24.706 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -24.220 -19.409 24.951 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -23.255 -18.169 25.758 1.00 0.00 H new ATOM 897 N LEU A 56 -22.628 -16.982 21.163 1.00 0.00 N ATOM 898 CA LEU A 56 -23.554 -16.146 20.371 1.00 0.00 C ATOM 899 C LEU A 56 -24.950 -16.836 20.341 1.00 0.00 C ATOM 900 O LEU A 56 -25.063 -17.961 19.843 1.00 0.00 O ATOM 901 CB LEU A 56 -22.938 -15.914 18.945 1.00 0.00 C ATOM 902 CG LEU A 56 -23.420 -14.671 18.118 1.00 0.00 C ATOM 903 CD1 LEU A 56 -24.837 -14.851 17.562 1.00 0.00 C ATOM 904 CD2 LEU A 56 -23.293 -13.360 18.931 1.00 0.00 C ATOM 0 H LEU A 56 -22.700 -17.979 20.961 1.00 0.00 H new ATOM 0 HA LEU A 56 -23.694 -15.162 20.818 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -21.857 -15.838 19.059 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.134 -16.806 18.349 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.753 -14.593 17.259 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.122 -13.963 16.998 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -24.863 -15.721 16.906 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -25.535 -14.997 18.386 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.636 -12.521 18.325 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -23.902 -13.430 19.832 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.251 -13.204 19.209 1.00 0.00 H new ATOM 916 N PRO A 57 -26.024 -16.177 20.901 1.00 0.00 N ATOM 917 CA PRO A 57 -27.384 -16.779 21.036 1.00 0.00 C ATOM 918 C PRO A 57 -28.175 -16.824 19.707 1.00 0.00 C ATOM 919 O PRO A 57 -27.861 -16.083 18.771 1.00 0.00 O ATOM 920 CB PRO A 57 -28.062 -15.847 22.067 1.00 0.00 C ATOM 921 CG PRO A 57 -27.451 -14.508 21.817 1.00 0.00 C ATOM 922 CD PRO A 57 -26.002 -14.785 21.453 1.00 0.00 C ATOM 0 HA PRO A 57 -27.342 -17.825 21.339 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -29.143 -15.822 21.929 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -27.878 -16.183 23.087 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -27.966 -13.986 21.010 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -27.519 -13.874 22.701 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -25.632 -14.070 20.718 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -25.351 -14.712 22.324 1.00 0.00 H new ATOM 930 N LEU A 58 -29.211 -17.700 19.668 1.00 0.00 N ATOM 931 CA LEU A 58 -30.053 -17.958 18.469 1.00 0.00 C ATOM 932 C LEU A 58 -30.621 -16.662 17.850 1.00 0.00 C ATOM 933 O LEU A 58 -30.575 -16.479 16.629 1.00 0.00 O ATOM 934 CB LEU A 58 -31.223 -18.918 18.826 1.00 0.00 C ATOM 935 CG LEU A 58 -30.827 -20.356 19.297 1.00 0.00 C ATOM 936 CD1 LEU A 58 -32.075 -21.179 19.685 1.00 0.00 C ATOM 937 CD2 LEU A 58 -29.989 -21.088 18.225 1.00 0.00 C ATOM 0 H LEU A 58 -29.489 -18.254 20.478 1.00 0.00 H new ATOM 0 HA LEU A 58 -29.404 -18.421 17.726 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -31.818 -18.453 19.612 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -31.867 -19.011 17.952 1.00 0.00 H new ATOM 0 HG LEU A 58 -30.206 -20.252 20.187 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -31.769 -22.174 20.008 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -32.602 -20.680 20.498 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -32.736 -21.265 18.823 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -29.730 -22.084 18.583 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -30.568 -21.172 17.305 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -29.077 -20.525 18.029 1.00 0.00 H new ATOM 949 N LYS A 59 -31.144 -15.777 18.720 1.00 0.00 N ATOM 950 CA LYS A 59 -31.734 -14.482 18.315 1.00 0.00 C ATOM 951 C LYS A 59 -30.714 -13.630 17.539 1.00 0.00 C ATOM 952 O LYS A 59 -31.037 -13.048 16.504 1.00 0.00 O ATOM 953 CB LYS A 59 -32.258 -13.717 19.568 1.00 0.00 C ATOM 954 CG LYS A 59 -32.733 -12.257 19.324 1.00 0.00 C ATOM 955 CD LYS A 59 -33.831 -12.133 18.234 1.00 0.00 C ATOM 956 CE LYS A 59 -34.241 -10.674 17.971 1.00 0.00 C ATOM 957 NZ LYS A 59 -35.148 -10.543 16.803 1.00 0.00 N ATOM 0 H LYS A 59 -31.170 -15.938 19.727 1.00 0.00 H new ATOM 0 HA LYS A 59 -32.575 -14.678 17.650 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -33.087 -14.282 19.994 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -31.466 -13.700 20.317 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -33.114 -11.847 20.259 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -31.876 -11.649 19.035 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -33.469 -12.578 17.307 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -34.708 -12.703 18.540 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -34.733 -10.272 18.857 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -33.347 -10.073 17.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -35.720 -9.680 16.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -34.585 -10.486 15.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -35.775 -11.371 16.756 1.00 0.00 H new ATOM 971 N LYS A 60 -29.474 -13.584 18.037 1.00 0.00 N ATOM 972 CA LYS A 60 -28.414 -12.769 17.421 1.00 0.00 C ATOM 973 C LYS A 60 -27.818 -13.467 16.189 1.00 0.00 C ATOM 974 O LYS A 60 -27.224 -12.808 15.359 1.00 0.00 O ATOM 975 CB LYS A 60 -27.332 -12.389 18.460 1.00 0.00 C ATOM 976 CG LYS A 60 -27.862 -11.530 19.629 1.00 0.00 C ATOM 977 CD LYS A 60 -28.554 -10.231 19.148 1.00 0.00 C ATOM 978 CE LYS A 60 -29.032 -9.351 20.309 1.00 0.00 C ATOM 979 NZ LYS A 60 -27.907 -8.932 21.185 1.00 0.00 N ATOM 0 H LYS A 60 -29.177 -14.100 18.865 1.00 0.00 H new ATOM 0 HA LYS A 60 -28.862 -11.839 17.070 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -26.892 -13.302 18.863 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -26.533 -11.846 17.956 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -28.568 -12.118 20.216 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -27.035 -11.273 20.290 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -27.860 -9.663 18.528 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -29.406 -10.489 18.519 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -29.532 -8.467 19.913 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -29.768 -9.897 20.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -28.234 -8.195 21.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -27.565 -9.751 21.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -27.133 -8.556 20.601 1.00 0.00 H new ATOM 993 N ARG A 61 -27.978 -14.803 16.080 1.00 0.00 N ATOM 994 CA ARG A 61 -27.672 -15.539 14.821 1.00 0.00 C ATOM 995 C ARG A 61 -28.651 -15.122 13.709 1.00 0.00 C ATOM 996 O ARG A 61 -28.309 -15.165 12.535 1.00 0.00 O ATOM 997 CB ARG A 61 -27.744 -17.079 15.023 1.00 0.00 C ATOM 998 CG ARG A 61 -26.822 -17.620 16.123 1.00 0.00 C ATOM 999 CD ARG A 61 -27.018 -19.120 16.400 1.00 0.00 C ATOM 1000 NE ARG A 61 -26.336 -19.528 17.639 1.00 0.00 N ATOM 1001 CZ ARG A 61 -26.282 -20.773 18.123 1.00 0.00 C ATOM 1002 NH1 ARG A 61 -26.721 -21.805 17.411 1.00 0.00 N ATOM 1003 NH2 ARG A 61 -25.734 -20.986 19.301 1.00 0.00 N ATOM 0 H ARG A 61 -28.314 -15.396 16.839 1.00 0.00 H new ATOM 0 HA ARG A 61 -26.654 -15.280 14.532 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -28.772 -17.354 15.260 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -27.492 -17.568 14.082 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -25.785 -17.443 15.837 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -26.999 -17.062 17.042 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -28.082 -19.342 16.478 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -26.632 -19.700 15.562 1.00 0.00 H new ATOM 0 HE ARG A 61 -25.864 -18.799 18.174 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -27.107 -21.654 16.479 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -26.672 -22.748 17.796 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -25.355 -20.205 19.836 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -25.688 -21.932 19.679 1.00 0.00 H new ATOM 1017 N ILE A 62 -29.881 -14.742 14.112 1.00 0.00 N ATOM 1018 CA ILE A 62 -30.916 -14.220 13.194 1.00 0.00 C ATOM 1019 C ILE A 62 -30.586 -12.765 12.783 1.00 0.00 C ATOM 1020 O ILE A 62 -30.737 -12.389 11.612 1.00 0.00 O ATOM 1021 CB ILE A 62 -32.346 -14.302 13.865 1.00 0.00 C ATOM 1022 CG1 ILE A 62 -32.697 -15.786 14.233 1.00 0.00 C ATOM 1023 CG2 ILE A 62 -33.449 -13.672 12.976 1.00 0.00 C ATOM 1024 CD1 ILE A 62 -34.014 -15.978 14.978 1.00 0.00 C ATOM 0 H ILE A 62 -30.186 -14.788 15.084 1.00 0.00 H new ATOM 0 HA ILE A 62 -30.927 -14.837 12.296 1.00 0.00 H new ATOM 0 HB ILE A 62 -32.309 -13.715 14.783 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -32.729 -16.373 13.315 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -31.891 -16.192 14.843 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -34.412 -13.753 13.480 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -33.218 -12.621 12.800 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -33.493 -14.199 12.023 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -34.164 -17.038 15.185 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -33.985 -15.425 15.917 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -34.836 -15.609 14.365 1.00 0.00 H new ATOM 1036 N GLU A 63 -30.115 -11.963 13.758 1.00 0.00 N ATOM 1037 CA GLU A 63 -29.752 -10.541 13.530 1.00 0.00 C ATOM 1038 C GLU A 63 -28.400 -10.416 12.797 1.00 0.00 C ATOM 1039 O GLU A 63 -28.136 -9.416 12.113 1.00 0.00 O ATOM 1040 CB GLU A 63 -29.712 -9.769 14.874 1.00 0.00 C ATOM 1041 CG GLU A 63 -31.005 -9.872 15.717 1.00 0.00 C ATOM 1042 CD GLU A 63 -32.292 -9.543 14.928 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -32.503 -8.358 14.585 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -33.106 -10.461 14.667 1.00 0.00 O ATOM 0 H GLU A 63 -29.975 -12.274 14.719 1.00 0.00 H new ATOM 0 HA GLU A 63 -30.519 -10.099 12.894 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -28.877 -10.142 15.467 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -29.512 -8.718 14.668 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -31.085 -10.882 16.120 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -30.928 -9.194 16.567 1.00 0.00 H new ATOM 1051 N PHE A 64 -27.558 -11.450 12.949 1.00 0.00 N ATOM 1052 CA PHE A 64 -26.236 -11.557 12.301 1.00 0.00 C ATOM 1053 C PHE A 64 -26.244 -12.725 11.297 1.00 0.00 C ATOM 1054 O PHE A 64 -25.222 -13.368 11.072 1.00 0.00 O ATOM 1055 CB PHE A 64 -25.093 -11.713 13.352 1.00 0.00 C ATOM 1056 CG PHE A 64 -24.944 -10.527 14.314 1.00 0.00 C ATOM 1057 CD1 PHE A 64 -24.737 -9.237 13.826 1.00 0.00 C ATOM 1058 CD2 PHE A 64 -25.015 -10.698 15.700 1.00 0.00 C ATOM 1059 CE1 PHE A 64 -24.605 -8.161 14.688 1.00 0.00 C ATOM 1060 CE2 PHE A 64 -24.882 -9.621 16.560 1.00 0.00 C ATOM 1061 CZ PHE A 64 -24.680 -8.352 16.054 1.00 0.00 C ATOM 0 H PHE A 64 -27.779 -12.253 13.538 1.00 0.00 H new ATOM 0 HA PHE A 64 -26.038 -10.632 11.759 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -25.274 -12.616 13.935 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -24.150 -11.857 12.825 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -24.679 -9.075 12.760 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -25.176 -11.686 16.106 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -24.443 -7.170 14.291 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -24.936 -9.774 17.628 1.00 0.00 H new ATOM 0 HZ PHE A 64 -24.581 -7.511 16.725 1.00 0.00 H new ATOM 1071 N ALA A 65 -27.429 -12.991 10.713 1.00 0.00 N ATOM 1072 CA ALA A 65 -27.633 -14.040 9.685 1.00 0.00 C ATOM 1073 C ALA A 65 -26.644 -13.922 8.507 1.00 0.00 C ATOM 1074 O ALA A 65 -26.179 -14.928 7.976 1.00 0.00 O ATOM 1075 CB ALA A 65 -29.075 -13.970 9.165 1.00 0.00 C ATOM 0 H ALA A 65 -28.282 -12.481 10.941 1.00 0.00 H new ATOM 0 HA ALA A 65 -27.446 -15.003 10.160 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -29.227 -14.740 8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -29.768 -14.130 9.991 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -29.256 -12.989 8.725 1.00 0.00 H new ATOM 1081 N ASN A 66 -26.346 -12.677 8.112 1.00 0.00 N ATOM 1082 CA ASN A 66 -25.451 -12.372 6.980 1.00 0.00 C ATOM 1083 C ASN A 66 -23.982 -12.296 7.434 1.00 0.00 C ATOM 1084 O ASN A 66 -23.066 -12.559 6.646 1.00 0.00 O ATOM 1085 CB ASN A 66 -25.897 -11.040 6.324 1.00 0.00 C ATOM 1086 CG ASN A 66 -27.321 -11.097 5.746 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -27.788 -12.151 5.304 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -28.019 -9.968 5.738 1.00 0.00 N ATOM 0 H ASN A 66 -26.720 -11.846 8.570 1.00 0.00 H new ATOM 0 HA ASN A 66 -25.519 -13.176 6.247 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -25.844 -10.242 7.065 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -25.199 -10.783 5.528 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -28.966 -9.957 5.360 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -27.608 -9.112 6.110 1.00 0.00 H new ATOM 1095 N TYR A 67 -23.775 -11.951 8.719 1.00 0.00 N ATOM 1096 CA TYR A 67 -22.431 -11.763 9.306 1.00 0.00 C ATOM 1097 C TYR A 67 -21.950 -13.083 9.922 1.00 0.00 C ATOM 1098 O TYR A 67 -22.600 -13.627 10.823 1.00 0.00 O ATOM 1099 CB TYR A 67 -22.466 -10.656 10.389 1.00 0.00 C ATOM 1100 CG TYR A 67 -23.113 -9.341 9.923 1.00 0.00 C ATOM 1101 CD1 TYR A 67 -22.372 -8.346 9.287 1.00 0.00 C ATOM 1102 CD2 TYR A 67 -24.473 -9.102 10.122 1.00 0.00 C ATOM 1103 CE1 TYR A 67 -22.962 -7.168 8.878 1.00 0.00 C ATOM 1104 CE2 TYR A 67 -25.067 -7.926 9.714 1.00 0.00 C ATOM 1105 CZ TYR A 67 -24.310 -6.964 9.092 1.00 0.00 C ATOM 1106 OH TYR A 67 -24.898 -5.792 8.669 1.00 0.00 O ATOM 0 H TYR A 67 -24.535 -11.794 9.382 1.00 0.00 H new ATOM 0 HA TYR A 67 -21.740 -11.458 8.520 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -23.011 -11.029 11.257 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -21.447 -10.451 10.716 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.318 -8.500 9.111 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -25.075 -9.856 10.607 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.370 -6.407 8.391 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -26.121 -7.763 9.883 1.00 0.00 H new ATOM 0 HH TYR A 67 -24.246 -5.263 8.164 1.00 0.00 H new ATOM 1116 N LYS A 68 -20.811 -13.592 9.441 1.00 0.00 N ATOM 1117 CA LYS A 68 -20.274 -14.886 9.888 1.00 0.00 C ATOM 1118 C LYS A 68 -19.660 -14.725 11.291 1.00 0.00 C ATOM 1119 O LYS A 68 -18.462 -14.438 11.433 1.00 0.00 O ATOM 1120 CB LYS A 68 -19.228 -15.443 8.866 1.00 0.00 C ATOM 1121 CG LYS A 68 -19.800 -15.974 7.523 1.00 0.00 C ATOM 1122 CD LYS A 68 -20.597 -14.925 6.721 1.00 0.00 C ATOM 1123 CE LYS A 68 -21.103 -15.448 5.373 1.00 0.00 C ATOM 1124 NZ LYS A 68 -21.988 -14.460 4.702 1.00 0.00 N ATOM 0 H LYS A 68 -20.238 -13.126 8.737 1.00 0.00 H new ATOM 0 HA LYS A 68 -21.085 -15.612 9.941 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.510 -14.653 8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.675 -16.250 9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.977 -16.338 6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -20.446 -16.828 7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -21.448 -14.592 7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -19.966 -14.052 6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -20.254 -15.675 4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -21.646 -16.381 5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -22.776 -14.957 4.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -22.364 -13.795 5.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -21.444 -13.936 3.987 1.00 0.00 H new ATOM 1138 N VAL A 69 -20.514 -14.860 12.328 1.00 0.00 N ATOM 1139 CA VAL A 69 -20.065 -14.819 13.724 1.00 0.00 C ATOM 1140 C VAL A 69 -19.390 -16.157 14.072 1.00 0.00 C ATOM 1141 O VAL A 69 -19.941 -17.233 13.802 1.00 0.00 O ATOM 1142 CB VAL A 69 -21.233 -14.468 14.736 1.00 0.00 C ATOM 1143 CG1 VAL A 69 -21.725 -13.014 14.546 1.00 0.00 C ATOM 1144 CG2 VAL A 69 -22.414 -15.440 14.618 1.00 0.00 C ATOM 0 H VAL A 69 -21.519 -14.998 12.218 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.342 -14.010 13.828 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.814 -14.569 15.737 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.526 -12.805 15.255 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -20.899 -12.325 14.719 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -22.098 -12.886 13.530 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -23.189 -15.159 15.331 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -22.819 -15.399 13.607 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -22.074 -16.453 14.832 1.00 0.00 H new ATOM 1154 N VAL A 70 -18.171 -16.064 14.616 1.00 0.00 N ATOM 1155 CA VAL A 70 -17.291 -17.206 14.914 1.00 0.00 C ATOM 1156 C VAL A 70 -16.651 -17.009 16.298 1.00 0.00 C ATOM 1157 O VAL A 70 -16.794 -15.948 16.912 1.00 0.00 O ATOM 1158 CB VAL A 70 -16.149 -17.375 13.820 1.00 0.00 C ATOM 1159 CG1 VAL A 70 -16.733 -17.703 12.418 1.00 0.00 C ATOM 1160 CG2 VAL A 70 -15.233 -16.120 13.758 1.00 0.00 C ATOM 0 H VAL A 70 -17.755 -15.168 14.869 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.899 -18.110 14.903 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.539 -18.224 14.128 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.919 -17.810 11.701 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -17.298 -18.634 12.468 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -17.392 -16.895 12.100 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -14.463 -16.268 13.001 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.831 -15.245 13.501 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.762 -15.965 14.729 1.00 0.00 H new ATOM 1170 N SER A 71 -15.960 -18.049 16.780 1.00 0.00 N ATOM 1171 CA SER A 71 -15.188 -17.994 18.030 1.00 0.00 C ATOM 1172 C SER A 71 -13.834 -17.264 17.817 1.00 0.00 C ATOM 1173 O SER A 71 -13.312 -17.254 16.693 1.00 0.00 O ATOM 1174 CB SER A 71 -14.969 -19.433 18.546 1.00 0.00 C ATOM 1175 OG SER A 71 -16.211 -20.081 18.800 1.00 0.00 O ATOM 0 H SER A 71 -15.920 -18.955 16.314 1.00 0.00 H new ATOM 0 HA SER A 71 -15.745 -17.425 18.775 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.401 -20.004 17.811 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.375 -19.409 19.459 1.00 0.00 H new ATOM 0 HG SER A 71 -16.045 -20.991 19.124 1.00 0.00 H new ATOM 1181 N PRO A 72 -13.235 -16.638 18.896 1.00 0.00 N ATOM 1182 CA PRO A 72 -11.893 -15.989 18.808 1.00 0.00 C ATOM 1183 C PRO A 72 -10.787 -17.002 18.451 1.00 0.00 C ATOM 1184 O PRO A 72 -9.767 -16.644 17.857 1.00 0.00 O ATOM 1185 CB PRO A 72 -11.685 -15.395 20.228 1.00 0.00 C ATOM 1186 CG PRO A 72 -12.602 -16.184 21.115 1.00 0.00 C ATOM 1187 CD PRO A 72 -13.806 -16.502 20.270 1.00 0.00 C ATOM 0 HA PRO A 72 -11.843 -15.236 18.021 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.647 -15.490 20.548 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.930 -14.333 20.252 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -12.119 -17.095 21.468 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.883 -15.610 21.998 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.295 -17.420 20.595 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.553 -15.709 20.319 1.00 0.00 H new ATOM 1195 N ASP A 73 -11.056 -18.274 18.788 1.00 0.00 N ATOM 1196 CA ASP A 73 -10.173 -19.419 18.523 1.00 0.00 C ATOM 1197 C ASP A 73 -9.941 -19.616 17.011 1.00 0.00 C ATOM 1198 O ASP A 73 -8.951 -20.220 16.630 1.00 0.00 O ATOM 1199 CB ASP A 73 -10.800 -20.705 19.115 1.00 0.00 C ATOM 1200 CG ASP A 73 -11.181 -20.578 20.599 1.00 0.00 C ATOM 1201 OD1 ASP A 73 -12.308 -20.102 20.892 1.00 0.00 O ATOM 1202 OD2 ASP A 73 -10.379 -20.955 21.479 1.00 0.00 O ATOM 0 H ASP A 73 -11.917 -18.540 19.265 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.211 -19.217 18.993 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.690 -20.963 18.541 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.096 -21.529 18.999 1.00 0.00 H new ATOM 1207 N TRP A 74 -10.880 -19.118 16.161 1.00 0.00 N ATOM 1208 CA TRP A 74 -10.703 -19.123 14.692 1.00 0.00 C ATOM 1209 C TRP A 74 -9.496 -18.258 14.305 1.00 0.00 C ATOM 1210 O TRP A 74 -8.619 -18.693 13.558 1.00 0.00 O ATOM 1211 CB TRP A 74 -11.978 -18.619 13.954 1.00 0.00 C ATOM 1212 CG TRP A 74 -11.850 -18.644 12.440 1.00 0.00 C ATOM 1213 CD1 TRP A 74 -11.606 -19.742 11.659 1.00 0.00 C ATOM 1214 CD2 TRP A 74 -11.947 -17.533 11.534 1.00 0.00 C ATOM 1215 NE1 TRP A 74 -11.541 -19.380 10.342 1.00 0.00 N ATOM 1216 CE2 TRP A 74 -11.754 -18.037 10.236 1.00 0.00 C ATOM 1217 CE3 TRP A 74 -12.184 -16.165 11.695 1.00 0.00 C ATOM 1218 CZ2 TRP A 74 -11.785 -17.226 9.109 1.00 0.00 C ATOM 1219 CZ3 TRP A 74 -12.217 -15.357 10.576 1.00 0.00 C ATOM 1220 CH2 TRP A 74 -12.020 -15.892 9.294 1.00 0.00 C ATOM 0 H TRP A 74 -11.762 -18.711 16.472 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.527 -20.154 14.384 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -12.827 -19.235 14.249 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -12.196 -17.601 14.276 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.483 -20.749 12.030 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -11.362 -20.013 9.563 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -12.339 -15.747 12.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -11.629 -17.635 8.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -12.397 -14.298 10.689 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -12.055 -15.237 8.436 1.00 0.00 H new ATOM 1231 N ILE A 75 -9.462 -17.046 14.879 1.00 0.00 N ATOM 1232 CA ILE A 75 -8.441 -16.030 14.571 1.00 0.00 C ATOM 1233 C ILE A 75 -7.070 -16.521 15.085 1.00 0.00 C ATOM 1234 O ILE A 75 -6.068 -16.478 14.364 1.00 0.00 O ATOM 1235 CB ILE A 75 -8.798 -14.606 15.182 1.00 0.00 C ATOM 1236 CG1 ILE A 75 -10.131 -14.013 14.583 1.00 0.00 C ATOM 1237 CG2 ILE A 75 -7.633 -13.598 14.988 1.00 0.00 C ATOM 1238 CD1 ILE A 75 -11.417 -14.705 15.011 1.00 0.00 C ATOM 0 H ILE A 75 -10.144 -16.741 15.573 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.406 -15.899 13.489 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.954 -14.762 16.250 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.196 -12.962 14.863 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.066 -14.050 13.496 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.910 -12.635 15.417 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.740 -13.974 15.487 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.430 -13.476 13.924 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -12.268 -14.214 14.539 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.386 -15.751 14.706 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.519 -14.646 16.095 1.00 0.00 H new ATOM 1250 N VAL A 76 -7.085 -17.056 16.313 1.00 0.00 N ATOM 1251 CA VAL A 76 -5.889 -17.571 17.006 1.00 0.00 C ATOM 1252 C VAL A 76 -5.276 -18.772 16.249 1.00 0.00 C ATOM 1253 O VAL A 76 -4.083 -18.772 15.931 1.00 0.00 O ATOM 1254 CB VAL A 76 -6.258 -17.994 18.481 1.00 0.00 C ATOM 1255 CG1 VAL A 76 -5.048 -18.595 19.239 1.00 0.00 C ATOM 1256 CG2 VAL A 76 -6.853 -16.800 19.261 1.00 0.00 C ATOM 0 H VAL A 76 -7.939 -17.146 16.864 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.146 -16.774 17.034 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.013 -18.777 18.410 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.352 -18.871 20.249 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.692 -19.481 18.713 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.247 -17.857 19.290 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.100 -17.115 20.275 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.124 -15.991 19.300 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.756 -16.451 18.759 1.00 0.00 H new ATOM 1266 N ASP A 77 -6.130 -19.763 15.939 1.00 0.00 N ATOM 1267 CA ASP A 77 -5.696 -21.059 15.372 1.00 0.00 C ATOM 1268 C ASP A 77 -5.239 -20.915 13.914 1.00 0.00 C ATOM 1269 O ASP A 77 -4.305 -21.597 13.486 1.00 0.00 O ATOM 1270 CB ASP A 77 -6.819 -22.126 15.499 1.00 0.00 C ATOM 1271 CG ASP A 77 -6.346 -23.573 15.249 1.00 0.00 C ATOM 1272 OD1 ASP A 77 -5.238 -23.932 15.705 1.00 0.00 O ATOM 1273 OD2 ASP A 77 -7.098 -24.366 14.643 1.00 0.00 O ATOM 0 H ASP A 77 -7.139 -19.692 16.073 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.837 -21.398 15.952 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.252 -22.064 16.497 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.613 -21.888 14.792 1.00 0.00 H new ATOM 1278 N SER A 78 -5.906 -20.023 13.157 1.00 0.00 N ATOM 1279 CA SER A 78 -5.521 -19.728 11.764 1.00 0.00 C ATOM 1280 C SER A 78 -4.111 -19.102 11.716 1.00 0.00 C ATOM 1281 O SER A 78 -3.277 -19.501 10.896 1.00 0.00 O ATOM 1282 CB SER A 78 -6.560 -18.808 11.086 1.00 0.00 C ATOM 1283 OG SER A 78 -7.804 -19.466 10.888 1.00 0.00 O ATOM 0 H SER A 78 -6.714 -19.495 13.487 1.00 0.00 H new ATOM 0 HA SER A 78 -5.497 -20.666 11.209 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.713 -17.920 11.699 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.172 -18.469 10.125 1.00 0.00 H new ATOM 0 HG SER A 78 -8.348 -19.389 11.700 1.00 0.00 H new ATOM 1289 N VAL A 79 -3.851 -18.137 12.628 1.00 0.00 N ATOM 1290 CA VAL A 79 -2.523 -17.491 12.780 1.00 0.00 C ATOM 1291 C VAL A 79 -1.462 -18.515 13.242 1.00 0.00 C ATOM 1292 O VAL A 79 -0.296 -18.451 12.827 1.00 0.00 O ATOM 1293 CB VAL A 79 -2.608 -16.265 13.775 1.00 0.00 C ATOM 1294 CG1 VAL A 79 -1.216 -15.691 14.153 1.00 0.00 C ATOM 1295 CG2 VAL A 79 -3.502 -15.151 13.182 1.00 0.00 C ATOM 0 H VAL A 79 -4.553 -17.784 13.279 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.214 -17.111 11.806 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.054 -16.642 14.696 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.342 -14.852 14.838 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.621 -16.467 14.635 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.706 -15.350 13.252 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.551 -14.314 13.879 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.081 -14.812 12.236 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.506 -15.541 13.013 1.00 0.00 H new ATOM 1305 N LYS A 80 -1.896 -19.480 14.072 1.00 0.00 N ATOM 1306 CA LYS A 80 -1.025 -20.552 14.595 1.00 0.00 C ATOM 1307 C LYS A 80 -0.572 -21.493 13.457 1.00 0.00 C ATOM 1308 O LYS A 80 0.542 -22.030 13.486 1.00 0.00 O ATOM 1309 CB LYS A 80 -1.769 -21.351 15.704 1.00 0.00 C ATOM 1310 CG LYS A 80 -0.885 -22.319 16.530 1.00 0.00 C ATOM 1311 CD LYS A 80 0.219 -21.594 17.343 1.00 0.00 C ATOM 1312 CE LYS A 80 -0.352 -20.586 18.362 1.00 0.00 C ATOM 1313 NZ LYS A 80 0.713 -19.884 19.122 1.00 0.00 N ATOM 0 H LYS A 80 -2.860 -19.540 14.400 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.135 -20.096 15.029 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.238 -20.642 16.386 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.571 -21.925 15.239 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.518 -22.885 17.213 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.419 -23.039 15.857 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.821 -22.334 17.870 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.885 -21.072 16.656 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.965 -19.852 17.839 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.007 -21.109 19.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.279 -19.218 19.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.283 -20.580 19.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.324 -19.362 18.462 1.00 0.00 H new ATOM 1327 N GLU A 81 -1.449 -21.674 12.456 1.00 0.00 N ATOM 1328 CA GLU A 81 -1.182 -22.524 11.280 1.00 0.00 C ATOM 1329 C GLU A 81 -0.632 -21.716 10.094 1.00 0.00 C ATOM 1330 O GLU A 81 -0.184 -22.310 9.104 1.00 0.00 O ATOM 1331 CB GLU A 81 -2.482 -23.268 10.878 1.00 0.00 C ATOM 1332 CG GLU A 81 -3.007 -24.248 11.946 1.00 0.00 C ATOM 1333 CD GLU A 81 -2.021 -25.389 12.261 1.00 0.00 C ATOM 1334 OE1 GLU A 81 -1.139 -25.221 13.135 1.00 0.00 O ATOM 1335 OE2 GLU A 81 -2.116 -26.468 11.635 1.00 0.00 O ATOM 0 H GLU A 81 -2.369 -21.233 12.438 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.413 -23.247 11.552 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.257 -22.532 10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.301 -23.818 9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.219 -23.697 12.862 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.950 -24.675 11.605 1.00 0.00 H new ATOM 1342 N ALA A 82 -0.692 -20.371 10.207 1.00 0.00 N ATOM 1343 CA ALA A 82 -0.220 -19.422 9.172 1.00 0.00 C ATOM 1344 C ALA A 82 -0.989 -19.590 7.832 1.00 0.00 C ATOM 1345 O ALA A 82 -0.456 -19.286 6.754 1.00 0.00 O ATOM 1346 CB ALA A 82 1.309 -19.538 8.986 1.00 0.00 C ATOM 0 H ALA A 82 -1.075 -19.907 11.031 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.436 -18.412 9.520 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.637 -18.833 8.222 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.808 -19.311 9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.562 -20.552 8.677 1.00 0.00 H new ATOM 1352 N ARG A 83 -2.265 -20.019 7.925 1.00 0.00 N ATOM 1353 CA ARG A 83 -3.146 -20.216 6.751 1.00 0.00 C ATOM 1354 C ARG A 83 -4.619 -20.003 7.141 1.00 0.00 C ATOM 1355 O ARG A 83 -4.958 -20.005 8.328 1.00 0.00 O ATOM 1356 CB ARG A 83 -2.947 -21.631 6.140 1.00 0.00 C ATOM 1357 CG ARG A 83 -3.284 -22.800 7.091 1.00 0.00 C ATOM 1358 CD ARG A 83 -3.117 -24.172 6.416 1.00 0.00 C ATOM 1359 NE ARG A 83 -3.368 -25.294 7.335 1.00 0.00 N ATOM 1360 CZ ARG A 83 -2.450 -25.875 8.124 1.00 0.00 C ATOM 1361 NH1 ARG A 83 -1.200 -25.413 8.188 1.00 0.00 N ATOM 1362 NH2 ARG A 83 -2.795 -26.923 8.853 1.00 0.00 N ATOM 0 H ARG A 83 -2.715 -20.239 8.814 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.875 -19.478 5.996 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.567 -21.717 5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.910 -21.730 5.818 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.639 -22.749 7.968 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.310 -22.694 7.443 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.801 -24.241 5.570 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.106 -24.255 6.016 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.319 -25.661 7.376 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.926 -24.604 7.631 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.518 -25.869 8.794 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.749 -27.281 8.812 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.107 -27.373 9.456 1.00 0.00 H new ATOM 1376 N LEU A 84 -5.481 -19.825 6.126 1.00 0.00 N ATOM 1377 CA LEU A 84 -6.923 -19.607 6.318 1.00 0.00 C ATOM 1378 C LEU A 84 -7.598 -20.961 6.586 1.00 0.00 C ATOM 1379 O LEU A 84 -7.716 -21.796 5.686 1.00 0.00 O ATOM 1380 CB LEU A 84 -7.520 -18.864 5.072 1.00 0.00 C ATOM 1381 CG LEU A 84 -8.999 -18.324 5.157 1.00 0.00 C ATOM 1382 CD1 LEU A 84 -10.065 -19.414 4.912 1.00 0.00 C ATOM 1383 CD2 LEU A 84 -9.250 -17.591 6.495 1.00 0.00 C ATOM 0 H LEU A 84 -5.196 -19.828 5.147 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.108 -18.968 7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.870 -18.018 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.463 -19.544 4.222 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.105 -17.608 4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.059 -18.973 4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.929 -19.839 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.960 -20.200 5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.278 -17.230 6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.083 -18.279 7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.566 -16.747 6.581 1.00 0.00 H new ATOM 1395 N LEU A 85 -7.992 -21.181 7.850 1.00 0.00 N ATOM 1396 CA LEU A 85 -8.747 -22.374 8.270 1.00 0.00 C ATOM 1397 C LEU A 85 -10.261 -22.142 8.057 1.00 0.00 C ATOM 1398 O LEU A 85 -10.691 -20.980 7.983 1.00 0.00 O ATOM 1399 CB LEU A 85 -8.410 -22.706 9.750 1.00 0.00 C ATOM 1400 CG LEU A 85 -6.903 -23.008 10.047 1.00 0.00 C ATOM 1401 CD1 LEU A 85 -6.695 -23.382 11.524 1.00 0.00 C ATOM 1402 CD2 LEU A 85 -6.337 -24.102 9.107 1.00 0.00 C ATOM 0 H LEU A 85 -7.795 -20.534 8.614 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.460 -23.232 7.661 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.724 -21.868 10.373 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.002 -23.569 10.054 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.344 -22.093 9.849 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.639 -23.587 11.702 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.016 -22.555 12.157 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.282 -24.270 11.761 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.289 -24.281 9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.902 -25.024 9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.421 -23.771 8.072 1.00 0.00 H new ATOM 1414 N PRO A 86 -11.099 -23.232 7.931 1.00 0.00 N ATOM 1415 CA PRO A 86 -12.551 -23.083 7.682 1.00 0.00 C ATOM 1416 C PRO A 86 -13.272 -22.411 8.880 1.00 0.00 C ATOM 1417 O PRO A 86 -13.213 -22.898 10.013 1.00 0.00 O ATOM 1418 CB PRO A 86 -13.037 -24.542 7.434 1.00 0.00 C ATOM 1419 CG PRO A 86 -12.041 -25.400 8.146 1.00 0.00 C ATOM 1420 CD PRO A 86 -10.715 -24.678 8.025 1.00 0.00 C ATOM 0 HA PRO A 86 -12.771 -22.430 6.838 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -14.043 -24.696 7.824 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -13.069 -24.773 6.369 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.318 -25.536 9.191 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.988 -26.392 7.698 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.077 -24.867 8.889 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.162 -25.003 7.143 1.00 0.00 H new ATOM 1428 N TRP A 87 -13.912 -21.262 8.594 1.00 0.00 N ATOM 1429 CA TRP A 87 -14.703 -20.475 9.570 1.00 0.00 C ATOM 1430 C TRP A 87 -15.842 -21.321 10.185 1.00 0.00 C ATOM 1431 O TRP A 87 -16.230 -21.116 11.332 1.00 0.00 O ATOM 1432 CB TRP A 87 -15.284 -19.214 8.865 1.00 0.00 C ATOM 1433 CG TRP A 87 -16.254 -19.548 7.748 1.00 0.00 C ATOM 1434 CD1 TRP A 87 -15.951 -19.917 6.465 1.00 0.00 C ATOM 1435 CD2 TRP A 87 -17.685 -19.587 7.843 1.00 0.00 C ATOM 1436 NE1 TRP A 87 -17.100 -20.172 5.766 1.00 0.00 N ATOM 1437 CE2 TRP A 87 -18.179 -19.966 6.586 1.00 0.00 C ATOM 1438 CE3 TRP A 87 -18.588 -19.315 8.869 1.00 0.00 C ATOM 1439 CZ2 TRP A 87 -19.539 -20.108 6.335 1.00 0.00 C ATOM 1440 CZ3 TRP A 87 -19.938 -19.458 8.622 1.00 0.00 C ATOM 1441 CH2 TRP A 87 -20.405 -19.841 7.361 1.00 0.00 C ATOM 0 H TRP A 87 -13.896 -20.844 7.664 1.00 0.00 H new ATOM 0 HA TRP A 87 -14.046 -20.169 10.384 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -15.791 -18.593 9.604 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -14.464 -18.622 8.460 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -14.952 -19.995 6.063 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -17.146 -20.468 4.791 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -18.237 -18.998 9.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -19.899 -20.418 5.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -20.646 -19.271 9.416 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -21.468 -19.928 7.193 1.00 0.00 H new ATOM 1452 N GLN A 88 -16.362 -22.267 9.370 1.00 0.00 N ATOM 1453 CA GLN A 88 -17.490 -23.156 9.724 1.00 0.00 C ATOM 1454 C GLN A 88 -17.151 -24.095 10.899 1.00 0.00 C ATOM 1455 O GLN A 88 -18.056 -24.618 11.565 1.00 0.00 O ATOM 1456 CB GLN A 88 -17.937 -23.960 8.478 1.00 0.00 C ATOM 1457 CG GLN A 88 -16.836 -24.815 7.823 1.00 0.00 C ATOM 1458 CD GLN A 88 -17.322 -25.562 6.579 1.00 0.00 C ATOM 1459 OE1 GLN A 88 -17.269 -25.034 5.471 1.00 0.00 O ATOM 1460 NE2 GLN A 88 -17.789 -26.789 6.745 1.00 0.00 N ATOM 0 H GLN A 88 -16.002 -22.436 8.431 1.00 0.00 H new ATOM 0 HA GLN A 88 -18.316 -22.529 10.059 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -18.762 -24.613 8.763 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -18.325 -23.263 7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.998 -24.173 7.551 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -16.462 -25.536 8.550 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -17.821 -27.201 7.678 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -18.117 -27.323 5.940 1.00 0.00 H new ATOM 1469 N ASN A 89 -15.845 -24.316 11.127 1.00 0.00 N ATOM 1470 CA ASN A 89 -15.349 -25.104 12.268 1.00 0.00 C ATOM 1471 C ASN A 89 -15.645 -24.377 13.604 1.00 0.00 C ATOM 1472 O ASN A 89 -15.862 -25.015 14.643 1.00 0.00 O ATOM 1473 CB ASN A 89 -13.826 -25.350 12.107 1.00 0.00 C ATOM 1474 CG ASN A 89 -13.268 -26.367 13.103 1.00 0.00 C ATOM 1475 OD1 ASN A 89 -12.860 -26.019 14.207 1.00 0.00 O ATOM 1476 ND2 ASN A 89 -13.234 -27.633 12.715 1.00 0.00 N ATOM 0 H ASN A 89 -15.105 -23.954 10.526 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.865 -26.064 12.287 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -13.627 -25.698 11.093 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -13.298 -24.405 12.229 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.862 -28.348 13.340 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -13.580 -27.893 11.791 1.00 0.00 H new ATOM 1483 N TYR A 90 -15.660 -23.027 13.550 1.00 0.00 N ATOM 1484 CA TYR A 90 -15.828 -22.152 14.737 1.00 0.00 C ATOM 1485 C TYR A 90 -17.088 -21.270 14.629 1.00 0.00 C ATOM 1486 O TYR A 90 -17.305 -20.396 15.477 1.00 0.00 O ATOM 1487 CB TYR A 90 -14.565 -21.267 14.907 1.00 0.00 C ATOM 1488 CG TYR A 90 -13.272 -22.076 15.096 1.00 0.00 C ATOM 1489 CD1 TYR A 90 -12.919 -22.578 16.350 1.00 0.00 C ATOM 1490 CD2 TYR A 90 -12.421 -22.356 14.021 1.00 0.00 C ATOM 1491 CE1 TYR A 90 -11.774 -23.325 16.524 1.00 0.00 C ATOM 1492 CE2 TYR A 90 -11.267 -23.096 14.196 1.00 0.00 C ATOM 1493 CZ TYR A 90 -10.952 -23.580 15.450 1.00 0.00 C ATOM 1494 OH TYR A 90 -9.822 -24.337 15.632 1.00 0.00 O ATOM 0 H TYR A 90 -15.555 -22.508 12.678 1.00 0.00 H new ATOM 0 HA TYR A 90 -15.955 -22.789 15.613 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.459 -20.627 14.031 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -14.703 -20.611 15.767 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -13.555 -22.377 17.199 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.670 -21.987 13.037 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.522 -23.710 17.501 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.616 -23.294 13.357 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.092 -23.971 15.090 1.00 0.00 H new ATOM 1504 N SER A 91 -17.928 -21.527 13.608 1.00 0.00 N ATOM 1505 CA SER A 91 -19.100 -20.686 13.301 1.00 0.00 C ATOM 1506 C SER A 91 -20.183 -20.776 14.396 1.00 0.00 C ATOM 1507 O SER A 91 -20.806 -21.824 14.594 1.00 0.00 O ATOM 1508 CB SER A 91 -19.680 -21.070 11.926 1.00 0.00 C ATOM 1509 OG SER A 91 -19.965 -22.454 11.842 1.00 0.00 O ATOM 0 H SER A 91 -17.814 -22.319 12.976 1.00 0.00 H new ATOM 0 HA SER A 91 -18.765 -19.649 13.271 1.00 0.00 H new ATOM 0 HB2 SER A 91 -20.591 -20.500 11.744 1.00 0.00 H new ATOM 0 HB3 SER A 91 -18.972 -20.797 11.144 1.00 0.00 H new ATOM 0 HG SER A 91 -20.867 -22.624 12.186 1.00 0.00 H new ATOM 1515 N LEU A 92 -20.368 -19.666 15.122 1.00 0.00 N ATOM 1516 CA LEU A 92 -21.437 -19.519 16.118 1.00 0.00 C ATOM 1517 C LEU A 92 -22.773 -19.129 15.459 1.00 0.00 C ATOM 1518 O LEU A 92 -23.812 -19.156 16.117 1.00 0.00 O ATOM 1519 CB LEU A 92 -21.027 -18.468 17.175 1.00 0.00 C ATOM 1520 CG LEU A 92 -19.743 -18.801 17.993 1.00 0.00 C ATOM 1521 CD1 LEU A 92 -19.404 -17.656 18.959 1.00 0.00 C ATOM 1522 CD2 LEU A 92 -19.886 -20.145 18.744 1.00 0.00 C ATOM 0 H LEU A 92 -19.777 -18.840 15.034 1.00 0.00 H new ATOM 0 HA LEU A 92 -21.582 -20.482 16.607 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -20.878 -17.512 16.672 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -21.856 -18.336 17.871 1.00 0.00 H new ATOM 0 HG LEU A 92 -18.916 -18.908 17.292 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -18.504 -17.908 19.521 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -19.233 -16.741 18.393 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -20.233 -17.506 19.650 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.973 -20.347 19.305 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -20.730 -20.089 19.432 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -20.056 -20.947 18.026 1.00 0.00 H new ATOM 1534 N THR A 93 -22.722 -18.745 14.166 1.00 0.00 N ATOM 1535 CA THR A 93 -23.923 -18.398 13.367 1.00 0.00 C ATOM 1536 C THR A 93 -24.786 -19.646 13.089 1.00 0.00 C ATOM 1537 O THR A 93 -26.006 -19.543 12.922 1.00 0.00 O ATOM 1538 CB THR A 93 -23.518 -17.669 12.033 1.00 0.00 C ATOM 1539 OG1 THR A 93 -24.686 -17.257 11.298 1.00 0.00 O ATOM 1540 CG2 THR A 93 -22.603 -18.531 11.141 1.00 0.00 C ATOM 0 H THR A 93 -21.849 -18.666 13.644 1.00 0.00 H new ATOM 0 HA THR A 93 -24.529 -17.706 13.952 1.00 0.00 H new ATOM 0 HB THR A 93 -22.949 -16.786 12.322 1.00 0.00 H new ATOM 0 HG1 THR A 93 -24.411 -16.805 10.473 1.00 0.00 H new ATOM 0 HG21 THR A 93 -22.354 -17.980 10.234 1.00 0.00 H new ATOM 0 HG22 THR A 93 -21.688 -18.770 11.682 1.00 0.00 H new ATOM 0 HG23 THR A 93 -23.119 -19.454 10.875 1.00 0.00 H new ATOM 1548 N SER A 94 -24.134 -20.822 13.066 1.00 0.00 N ATOM 1549 CA SER A 94 -24.808 -22.110 12.908 1.00 0.00 C ATOM 1550 C SER A 94 -25.302 -22.620 14.289 1.00 0.00 C ATOM 1551 O SER A 94 -24.490 -23.171 15.065 1.00 0.00 O ATOM 1552 CB SER A 94 -23.854 -23.106 12.203 1.00 0.00 C ATOM 1553 OG SER A 94 -22.576 -23.124 12.809 1.00 0.00 O ATOM 1554 OXT SER A 94 -26.499 -22.444 14.597 1.00 0.00 O ATOM 0 H SER A 94 -23.121 -20.899 13.157 1.00 0.00 H new ATOM 0 HA SER A 94 -25.691 -22.005 12.277 1.00 0.00 H new ATOM 0 HB2 SER A 94 -24.285 -24.107 12.233 1.00 0.00 H new ATOM 0 HB3 SER A 94 -23.755 -22.833 11.152 1.00 0.00 H new ATOM 0 HG SER A 94 -22.676 -23.161 13.783 1.00 0.00 H new