USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=22 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 12 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 49 THR OG1 : rot 87:sc= 1.51 USER MOD Set 1.3: A 50 HIS : no HD1:sc= 1.08 K(o=2.6,f=-2.6) USER MOD Set 2.1: A 26 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Set 2.2: A 30 MET CE :methyl -142:sc= 0 (180deg=-0.126) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= -0.0321 (180deg=-0.222) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.47 X(o=-0.47,f=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0668 K(o=-0.067,f=-0.66) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -100:sc= -0.091 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.92) USER MOD Single : A 34 HIS : no HD1:sc= -1.67! C(o=-1.7!,f=-4.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.0381 F(o=-0.6,f=-0.038) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0583) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.304 K(o=-0.3,f=-4.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00282) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0461 USER MOD Single : A 68 LYS NZ :NH3+ -140:sc= -0.325 (180deg=-2.1!) USER MOD Single : A 71 SER OG : rot 69:sc= 0.545 USER MOD Single : A 78 SER OG : rot 87:sc= 0.689 USER MOD Single : A 80 LYS NZ :NH3+ 144:sc= -0.958 (180deg=-3.3!) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 37:sc= -0.464 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.384 USER MOD Single : A 94 SER OG : rot 45:sc= 0.165 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 7 -1.453 -14.122 3.422 1.00 0.00 N ATOM 84 CA LYS A 7 -2.591 -13.738 2.562 1.00 0.00 C ATOM 85 C LYS A 7 -3.914 -14.317 3.120 1.00 0.00 C ATOM 86 O LYS A 7 -4.928 -14.390 2.414 1.00 0.00 O ATOM 87 CB LYS A 7 -2.321 -14.214 1.105 1.00 0.00 C ATOM 88 CG LYS A 7 -1.993 -15.718 0.971 1.00 0.00 C ATOM 89 CD LYS A 7 -1.767 -16.172 -0.492 1.00 0.00 C ATOM 90 CE LYS A 7 -3.044 -16.087 -1.347 1.00 0.00 C ATOM 91 NZ LYS A 7 -4.142 -16.911 -0.778 1.00 0.00 N ATOM 0 HA LYS A 7 -2.694 -12.653 2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.197 -13.991 0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.492 -13.637 0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.100 -15.940 1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.808 -16.299 1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.991 -15.554 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.400 -17.198 -0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.367 -15.048 -1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.826 -16.422 -2.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.910 -16.995 -1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.781 -17.858 -0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.505 -16.458 0.085 1.00 0.00 H new ATOM 105 N ILE A 8 -3.890 -14.656 4.422 1.00 0.00 N ATOM 106 CA ILE A 8 -4.979 -15.373 5.117 1.00 0.00 C ATOM 107 C ILE A 8 -6.240 -14.498 5.233 1.00 0.00 C ATOM 108 O ILE A 8 -7.349 -14.914 4.873 1.00 0.00 O ATOM 109 CB ILE A 8 -4.524 -15.764 6.578 1.00 0.00 C ATOM 110 CG1 ILE A 8 -3.159 -16.520 6.575 1.00 0.00 C ATOM 111 CG2 ILE A 8 -5.611 -16.589 7.318 1.00 0.00 C ATOM 112 CD1 ILE A 8 -2.546 -16.694 7.959 1.00 0.00 C ATOM 0 H ILE A 8 -3.102 -14.437 5.032 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.206 -16.264 4.531 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.386 -14.831 7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.300 -17.503 6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.456 -15.978 5.943 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.260 -16.838 8.319 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.527 -16.002 7.390 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.811 -17.507 6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.600 -17.228 7.873 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.371 -15.715 8.405 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.228 -17.264 8.590 1.00 0.00 H new ATOM 124 N PHE A 9 -6.031 -13.262 5.714 1.00 0.00 N ATOM 125 CA PHE A 9 -7.119 -12.349 6.085 1.00 0.00 C ATOM 126 C PHE A 9 -7.219 -11.158 5.100 1.00 0.00 C ATOM 127 O PHE A 9 -7.954 -10.204 5.369 1.00 0.00 O ATOM 128 CB PHE A 9 -6.907 -11.849 7.545 1.00 0.00 C ATOM 129 CG PHE A 9 -6.889 -12.932 8.633 1.00 0.00 C ATOM 130 CD1 PHE A 9 -8.048 -13.636 8.962 1.00 0.00 C ATOM 131 CD2 PHE A 9 -5.719 -13.233 9.337 1.00 0.00 C ATOM 132 CE1 PHE A 9 -8.038 -14.604 9.954 1.00 0.00 C ATOM 133 CE2 PHE A 9 -5.711 -14.198 10.328 1.00 0.00 C ATOM 134 CZ PHE A 9 -6.869 -14.885 10.636 1.00 0.00 C ATOM 0 H PHE A 9 -5.101 -12.869 5.856 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.062 -12.892 6.029 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.964 -11.304 7.588 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.698 -11.137 7.782 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.967 -13.423 8.436 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.807 -12.704 9.103 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.945 -15.139 10.194 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.798 -14.415 10.862 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.861 -15.640 11.408 1.00 0.00 H new ATOM 144 N LYS A 10 -6.512 -11.236 3.945 1.00 0.00 N ATOM 145 CA LYS A 10 -6.556 -10.185 2.889 1.00 0.00 C ATOM 146 C LYS A 10 -7.994 -9.966 2.361 1.00 0.00 C ATOM 147 O LYS A 10 -8.388 -8.836 2.042 1.00 0.00 O ATOM 148 CB LYS A 10 -5.606 -10.560 1.712 1.00 0.00 C ATOM 149 CG LYS A 10 -4.090 -10.488 2.032 1.00 0.00 C ATOM 150 CD LYS A 10 -3.589 -9.057 2.345 1.00 0.00 C ATOM 151 CE LYS A 10 -3.760 -8.079 1.167 1.00 0.00 C ATOM 152 NZ LYS A 10 -3.402 -6.688 1.544 1.00 0.00 N ATOM 0 H LYS A 10 -5.900 -12.020 3.718 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.219 -9.251 3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.843 -11.572 1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.815 -9.896 0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.876 -11.133 2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.529 -10.883 1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.130 -8.671 3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.536 -9.101 2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.135 -8.401 0.334 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.793 -8.106 0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.531 -6.062 0.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.015 -6.370 2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.409 -6.656 1.851 1.00 0.00 H new ATOM 166 N ASN A 11 -8.761 -11.066 2.278 1.00 0.00 N ATOM 167 CA ASN A 11 -10.162 -11.055 1.802 1.00 0.00 C ATOM 168 C ASN A 11 -11.144 -11.288 2.973 1.00 0.00 C ATOM 169 O ASN A 11 -12.321 -11.600 2.761 1.00 0.00 O ATOM 170 CB ASN A 11 -10.342 -12.124 0.680 1.00 0.00 C ATOM 171 CG ASN A 11 -9.465 -11.883 -0.566 1.00 0.00 C ATOM 172 OD1 ASN A 11 -9.023 -12.832 -1.225 1.00 0.00 O ATOM 173 ND2 ASN A 11 -9.226 -10.621 -0.923 1.00 0.00 N ATOM 0 H ASN A 11 -8.429 -11.994 2.540 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.390 -10.075 1.384 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.110 -13.107 1.089 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.389 -12.144 0.376 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.669 -10.423 -1.754 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.600 -9.854 -0.365 1.00 0.00 H new ATOM 180 N CYS A 12 -10.651 -11.107 4.217 1.00 0.00 N ATOM 181 CA CYS A 12 -11.447 -11.261 5.444 1.00 0.00 C ATOM 182 C CYS A 12 -11.452 -9.942 6.256 1.00 0.00 C ATOM 183 O CYS A 12 -10.398 -9.465 6.725 1.00 0.00 O ATOM 184 CB CYS A 12 -10.896 -12.434 6.292 1.00 0.00 C ATOM 185 SG CYS A 12 -10.896 -14.031 5.437 1.00 0.00 S ATOM 0 H CYS A 12 -9.681 -10.848 4.394 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.477 -11.490 5.170 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.877 -12.199 6.599 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -11.491 -12.521 7.201 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.416 -14.946 6.226 1.00 0.00 H new ATOM 191 N VAL A 13 -12.646 -9.336 6.368 1.00 0.00 N ATOM 192 CA VAL A 13 -12.915 -8.224 7.299 1.00 0.00 C ATOM 193 C VAL A 13 -13.578 -8.801 8.565 1.00 0.00 C ATOM 194 O VAL A 13 -14.587 -9.511 8.463 1.00 0.00 O ATOM 195 CB VAL A 13 -13.843 -7.130 6.652 1.00 0.00 C ATOM 196 CG1 VAL A 13 -14.067 -5.931 7.615 1.00 0.00 C ATOM 197 CG2 VAL A 13 -13.269 -6.654 5.295 1.00 0.00 C ATOM 0 H VAL A 13 -13.458 -9.605 5.812 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.972 -7.736 7.548 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.815 -7.587 6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.712 -5.195 7.136 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.538 -6.284 8.532 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.108 -5.472 7.854 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.927 -5.898 4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.278 -6.227 5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.197 -7.501 4.613 1.00 0.00 H new ATOM 207 N ILE A 14 -12.988 -8.520 9.742 1.00 0.00 N ATOM 208 CA ILE A 14 -13.426 -9.069 11.045 1.00 0.00 C ATOM 209 C ILE A 14 -13.934 -7.949 11.987 1.00 0.00 C ATOM 210 O ILE A 14 -13.244 -6.964 12.202 1.00 0.00 O ATOM 211 CB ILE A 14 -12.272 -9.878 11.778 1.00 0.00 C ATOM 212 CG1 ILE A 14 -11.937 -11.243 11.066 1.00 0.00 C ATOM 213 CG2 ILE A 14 -12.611 -10.111 13.273 1.00 0.00 C ATOM 214 CD1 ILE A 14 -11.087 -11.140 9.812 1.00 0.00 C ATOM 0 H ILE A 14 -12.183 -7.898 9.819 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.242 -9.756 10.823 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.377 -9.258 11.716 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.423 -11.887 11.779 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.874 -11.737 10.808 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.802 -10.667 13.747 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -12.732 -9.150 13.773 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -13.537 -10.680 13.352 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.918 -12.137 9.404 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.603 -10.528 9.072 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.129 -10.681 10.058 1.00 0.00 H new ATOM 226 N TYR A 15 -15.132 -8.139 12.565 1.00 0.00 N ATOM 227 CA TYR A 15 -15.645 -7.323 13.684 1.00 0.00 C ATOM 228 C TYR A 15 -15.707 -8.200 14.942 1.00 0.00 C ATOM 229 O TYR A 15 -16.417 -9.192 14.960 1.00 0.00 O ATOM 230 CB TYR A 15 -17.049 -6.749 13.350 1.00 0.00 C ATOM 231 CG TYR A 15 -17.810 -6.146 14.551 1.00 0.00 C ATOM 232 CD1 TYR A 15 -17.379 -4.972 15.174 1.00 0.00 C ATOM 233 CD2 TYR A 15 -18.955 -6.764 15.064 1.00 0.00 C ATOM 234 CE1 TYR A 15 -18.060 -4.442 16.254 1.00 0.00 C ATOM 235 CE2 TYR A 15 -19.636 -6.237 16.141 1.00 0.00 C ATOM 236 CZ TYR A 15 -19.185 -5.081 16.736 1.00 0.00 C ATOM 237 OH TYR A 15 -19.866 -4.558 17.817 1.00 0.00 O ATOM 0 H TYR A 15 -15.779 -8.869 12.268 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.977 -6.479 13.855 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -16.938 -5.980 12.586 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -17.656 -7.544 12.916 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -16.497 -4.469 14.805 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -19.314 -7.674 14.606 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -17.713 -3.531 16.719 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -20.521 -6.730 16.516 1.00 0.00 H new ATOM 0 HH TYR A 15 -20.634 -5.129 18.027 1.00 0.00 H new ATOM 247 N ILE A 16 -14.959 -7.833 15.986 1.00 0.00 N ATOM 248 CA ILE A 16 -15.011 -8.531 17.278 1.00 0.00 C ATOM 249 C ILE A 16 -16.197 -7.989 18.104 1.00 0.00 C ATOM 250 O ILE A 16 -16.395 -6.770 18.200 1.00 0.00 O ATOM 251 CB ILE A 16 -13.651 -8.394 18.055 1.00 0.00 C ATOM 252 CG1 ILE A 16 -12.472 -8.917 17.164 1.00 0.00 C ATOM 253 CG2 ILE A 16 -13.697 -9.136 19.419 1.00 0.00 C ATOM 254 CD1 ILE A 16 -11.087 -8.788 17.777 1.00 0.00 C ATOM 0 H ILE A 16 -14.305 -7.051 15.963 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.165 -9.596 17.103 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.484 -7.339 18.272 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.652 -9.967 16.932 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.485 -8.375 16.219 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.740 -9.020 19.929 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.490 -8.714 20.036 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.892 -10.195 19.251 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.344 -9.178 17.082 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.876 -7.739 17.983 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.046 -9.355 18.707 1.00 0.00 H new ATOM 266 N ASN A 17 -16.973 -8.912 18.689 1.00 0.00 N ATOM 267 CA ASN A 17 -18.233 -8.622 19.390 1.00 0.00 C ATOM 268 C ASN A 17 -18.269 -9.451 20.686 1.00 0.00 C ATOM 269 O ASN A 17 -18.098 -10.673 20.642 1.00 0.00 O ATOM 270 CB ASN A 17 -19.434 -8.989 18.472 1.00 0.00 C ATOM 271 CG ASN A 17 -20.786 -8.462 18.968 1.00 0.00 C ATOM 272 OD1 ASN A 17 -20.867 -7.397 19.585 1.00 0.00 O ATOM 273 ND2 ASN A 17 -21.858 -9.195 18.693 1.00 0.00 N ATOM 0 H ASN A 17 -16.737 -9.904 18.688 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.300 -7.562 19.635 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.247 -8.595 17.473 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -19.490 -10.074 18.382 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.781 -8.882 18.994 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.759 -10.072 18.181 1.00 0.00 H new ATOM 280 N GLY A 18 -18.472 -8.782 21.834 1.00 0.00 N ATOM 281 CA GLY A 18 -18.411 -9.449 23.142 1.00 0.00 C ATOM 282 C GLY A 18 -16.976 -9.732 23.586 1.00 0.00 C ATOM 283 O GLY A 18 -16.017 -9.344 22.901 1.00 0.00 O ATOM 0 H GLY A 18 -18.679 -7.784 21.881 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.903 -8.825 23.888 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.965 -10.386 23.095 1.00 0.00 H new ATOM 287 N TYR A 19 -16.823 -10.410 24.734 1.00 0.00 N ATOM 288 CA TYR A 19 -15.503 -10.731 25.301 1.00 0.00 C ATOM 289 C TYR A 19 -15.001 -12.062 24.728 1.00 0.00 C ATOM 290 O TYR A 19 -15.572 -13.118 24.993 1.00 0.00 O ATOM 291 CB TYR A 19 -15.577 -10.779 26.848 1.00 0.00 C ATOM 292 CG TYR A 19 -16.010 -9.442 27.471 1.00 0.00 C ATOM 293 CD1 TYR A 19 -15.162 -8.328 27.429 1.00 0.00 C ATOM 294 CD2 TYR A 19 -17.261 -9.282 28.077 1.00 0.00 C ATOM 295 CE1 TYR A 19 -15.544 -7.116 27.970 1.00 0.00 C ATOM 296 CE2 TYR A 19 -17.644 -8.065 28.617 1.00 0.00 C ATOM 297 CZ TYR A 19 -16.781 -6.988 28.561 1.00 0.00 C ATOM 298 OH TYR A 19 -17.161 -5.772 29.092 1.00 0.00 O ATOM 0 H TYR A 19 -17.606 -10.750 25.293 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.795 -9.950 25.026 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -16.278 -11.557 27.149 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -14.601 -11.059 27.244 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.191 -8.418 26.965 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.939 -10.121 28.125 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -14.874 -6.270 27.930 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -18.614 -7.959 29.080 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.062 -5.848 29.471 1.00 0.00 H new ATOM 308 N THR A 20 -13.941 -11.974 23.928 1.00 0.00 N ATOM 309 CA THR A 20 -13.293 -13.114 23.270 1.00 0.00 C ATOM 310 C THR A 20 -11.937 -13.395 23.939 1.00 0.00 C ATOM 311 O THR A 20 -11.280 -12.455 24.414 1.00 0.00 O ATOM 312 CB THR A 20 -13.066 -12.773 21.759 1.00 0.00 C ATOM 313 OG1 THR A 20 -12.336 -11.531 21.648 1.00 0.00 O ATOM 314 CG2 THR A 20 -14.390 -12.649 20.979 1.00 0.00 C ATOM 0 H THR A 20 -13.494 -11.083 23.711 1.00 0.00 H new ATOM 0 HA THR A 20 -13.928 -13.995 23.359 1.00 0.00 H new ATOM 0 HB THR A 20 -12.498 -13.595 21.324 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.959 -10.802 21.447 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.177 -12.412 19.937 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.934 -13.592 21.033 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.996 -11.855 21.415 1.00 0.00 H new ATOM 322 N LYS A 21 -11.526 -14.683 24.010 1.00 0.00 N ATOM 323 CA LYS A 21 -10.156 -15.054 24.447 1.00 0.00 C ATOM 324 C LYS A 21 -9.330 -15.627 23.263 1.00 0.00 C ATOM 325 O LYS A 21 -9.748 -16.606 22.638 1.00 0.00 O ATOM 326 CB LYS A 21 -10.144 -16.046 25.626 1.00 0.00 C ATOM 327 CG LYS A 21 -10.834 -15.533 26.917 1.00 0.00 C ATOM 328 CD LYS A 21 -10.164 -14.264 27.518 1.00 0.00 C ATOM 329 CE LYS A 21 -8.691 -14.487 27.906 1.00 0.00 C ATOM 330 NZ LYS A 21 -8.099 -13.310 28.585 1.00 0.00 N ATOM 0 H LYS A 21 -12.118 -15.479 23.772 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.693 -14.132 24.799 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.633 -16.968 25.311 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.110 -16.298 25.860 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.879 -15.313 26.698 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.825 -16.327 27.664 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.224 -13.451 26.794 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.722 -13.948 28.399 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.619 -15.355 28.561 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.113 -14.715 27.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.107 -13.510 28.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.142 -12.486 27.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.632 -13.107 29.455 1.00 0.00 H new ATOM 344 N PRO A 22 -8.124 -15.044 22.952 1.00 0.00 N ATOM 345 CA PRO A 22 -7.509 -13.935 23.725 1.00 0.00 C ATOM 346 C PRO A 22 -8.177 -12.571 23.417 1.00 0.00 C ATOM 347 O PRO A 22 -9.038 -12.487 22.527 1.00 0.00 O ATOM 348 CB PRO A 22 -6.046 -13.993 23.271 1.00 0.00 C ATOM 349 CG PRO A 22 -6.133 -14.404 21.834 1.00 0.00 C ATOM 350 CD PRO A 22 -7.274 -15.411 21.784 1.00 0.00 C ATOM 0 HA PRO A 22 -7.625 -14.037 24.804 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.554 -13.026 23.381 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.473 -14.711 23.858 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.333 -13.548 21.189 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.198 -14.849 21.493 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.828 -15.341 20.848 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.908 -16.435 21.862 1.00 0.00 H new ATOM 358 N GLY A 23 -7.774 -11.528 24.170 1.00 0.00 N ATOM 359 CA GLY A 23 -8.454 -10.225 24.174 1.00 0.00 C ATOM 360 C GLY A 23 -8.652 -9.611 22.795 1.00 0.00 C ATOM 361 O GLY A 23 -7.850 -9.845 21.900 1.00 0.00 O ATOM 0 H GLY A 23 -6.967 -11.569 24.792 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.428 -10.339 24.650 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.879 -9.531 24.787 1.00 0.00 H new ATOM 365 N ARG A 24 -9.734 -8.832 22.647 1.00 0.00 N ATOM 366 CA ARG A 24 -10.088 -8.110 21.401 1.00 0.00 C ATOM 367 C ARG A 24 -8.910 -7.294 20.833 1.00 0.00 C ATOM 368 O ARG A 24 -8.713 -7.268 19.621 1.00 0.00 O ATOM 369 CB ARG A 24 -11.359 -7.221 21.634 1.00 0.00 C ATOM 370 CG ARG A 24 -11.435 -6.537 23.032 1.00 0.00 C ATOM 371 CD ARG A 24 -12.739 -5.736 23.272 1.00 0.00 C ATOM 372 NE ARG A 24 -12.689 -4.384 22.679 1.00 0.00 N ATOM 373 CZ ARG A 24 -13.679 -3.476 22.729 1.00 0.00 C ATOM 374 NH1 ARG A 24 -14.859 -3.777 23.251 1.00 0.00 N ATOM 375 NH2 ARG A 24 -13.483 -2.265 22.240 1.00 0.00 N ATOM 0 H ARG A 24 -10.404 -8.679 23.400 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.324 -8.856 20.642 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.390 -6.448 20.866 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.246 -7.839 21.500 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.343 -7.301 23.804 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.583 -5.866 23.144 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.581 -6.284 22.849 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.919 -5.653 24.344 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.833 -4.118 22.192 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.028 -4.711 23.624 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.598 -3.075 23.280 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.583 -2.022 21.826 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.232 -1.573 22.276 1.00 0.00 H new ATOM 389 N LEU A 25 -8.122 -6.673 21.714 1.00 0.00 N ATOM 390 CA LEU A 25 -6.900 -5.936 21.322 1.00 0.00 C ATOM 391 C LEU A 25 -5.830 -6.875 20.693 1.00 0.00 C ATOM 392 O LEU A 25 -5.196 -6.519 19.697 1.00 0.00 O ATOM 393 CB LEU A 25 -6.350 -5.110 22.538 1.00 0.00 C ATOM 394 CG LEU A 25 -6.383 -5.788 23.968 1.00 0.00 C ATOM 395 CD1 LEU A 25 -5.296 -6.865 24.159 1.00 0.00 C ATOM 396 CD2 LEU A 25 -6.311 -4.732 25.100 1.00 0.00 C ATOM 0 H LEU A 25 -8.305 -6.662 22.717 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.162 -5.226 20.537 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.317 -4.840 22.319 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.917 -4.181 22.595 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.344 -6.300 24.029 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.376 -7.289 25.160 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.432 -7.654 23.419 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.311 -6.415 24.033 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.336 -5.233 26.067 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.385 -4.164 25.009 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.161 -4.055 25.020 1.00 0.00 H new ATOM 408 N GLN A 26 -5.691 -8.087 21.259 1.00 0.00 N ATOM 409 CA GLN A 26 -4.675 -9.085 20.847 1.00 0.00 C ATOM 410 C GLN A 26 -5.052 -9.717 19.493 1.00 0.00 C ATOM 411 O GLN A 26 -4.219 -9.804 18.589 1.00 0.00 O ATOM 412 CB GLN A 26 -4.540 -10.179 21.949 1.00 0.00 C ATOM 413 CG GLN A 26 -3.544 -11.321 21.651 1.00 0.00 C ATOM 414 CD GLN A 26 -2.107 -10.845 21.412 1.00 0.00 C ATOM 415 OE1 GLN A 26 -1.700 -10.605 20.277 1.00 0.00 O ATOM 416 NE2 GLN A 26 -1.344 -10.664 22.482 1.00 0.00 N ATOM 0 H GLN A 26 -6.285 -8.409 22.023 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.714 -8.585 20.726 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.240 -9.695 22.878 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.523 -10.617 22.121 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.550 -12.022 22.486 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.886 -11.868 20.772 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.710 -10.872 23.411 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.391 -10.317 22.376 1.00 0.00 H new ATOM 425 N LEU A 27 -6.320 -10.158 19.378 1.00 0.00 N ATOM 426 CA LEU A 27 -6.890 -10.680 18.122 1.00 0.00 C ATOM 427 C LEU A 27 -6.763 -9.659 16.986 1.00 0.00 C ATOM 428 O LEU A 27 -6.371 -10.020 15.888 1.00 0.00 O ATOM 429 CB LEU A 27 -8.377 -11.046 18.301 1.00 0.00 C ATOM 430 CG LEU A 27 -8.686 -12.278 19.187 1.00 0.00 C ATOM 431 CD1 LEU A 27 -10.200 -12.384 19.435 1.00 0.00 C ATOM 432 CD2 LEU A 27 -8.128 -13.578 18.551 1.00 0.00 C ATOM 0 H LEU A 27 -6.979 -10.162 20.156 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.324 -11.575 17.863 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.891 -10.184 18.725 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.806 -11.220 17.314 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.188 -12.147 20.148 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.406 -13.254 20.059 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.550 -11.484 19.940 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.718 -12.490 18.482 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.360 -14.427 19.195 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.584 -13.729 17.573 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.047 -13.493 18.438 1.00 0.00 H new ATOM 444 N HIS A 28 -7.104 -8.385 17.278 1.00 0.00 N ATOM 445 CA HIS A 28 -6.980 -7.269 16.308 1.00 0.00 C ATOM 446 C HIS A 28 -5.544 -7.168 15.757 1.00 0.00 C ATOM 447 O HIS A 28 -5.359 -6.923 14.561 1.00 0.00 O ATOM 448 CB HIS A 28 -7.433 -5.920 16.942 1.00 0.00 C ATOM 449 CG HIS A 28 -8.922 -5.689 16.913 1.00 0.00 C ATOM 450 ND1 HIS A 28 -9.624 -5.154 17.972 1.00 0.00 N ATOM 451 CD2 HIS A 28 -9.834 -5.894 15.935 1.00 0.00 C ATOM 452 CE1 HIS A 28 -10.894 -5.040 17.648 1.00 0.00 C ATOM 453 NE2 HIS A 28 -11.051 -5.480 16.416 1.00 0.00 N ATOM 0 H HIS A 28 -7.471 -8.100 18.186 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.644 -7.483 15.470 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.092 -5.886 17.977 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.940 -5.102 16.417 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.640 -6.307 14.956 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.676 -4.652 18.284 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.933 -5.508 15.904 1.00 0.00 H new ATOM 462 N GLU A 29 -4.539 -7.387 16.625 1.00 0.00 N ATOM 463 CA GLU A 29 -3.124 -7.454 16.192 1.00 0.00 C ATOM 464 C GLU A 29 -2.901 -8.656 15.249 1.00 0.00 C ATOM 465 O GLU A 29 -2.333 -8.512 14.174 1.00 0.00 O ATOM 466 CB GLU A 29 -2.169 -7.549 17.415 1.00 0.00 C ATOM 467 CG GLU A 29 -2.225 -6.338 18.365 1.00 0.00 C ATOM 468 CD GLU A 29 -1.820 -5.019 17.689 1.00 0.00 C ATOM 469 OE1 GLU A 29 -0.601 -4.779 17.521 1.00 0.00 O ATOM 470 OE2 GLU A 29 -2.713 -4.219 17.317 1.00 0.00 O ATOM 0 H GLU A 29 -4.676 -7.521 17.627 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.897 -6.536 15.651 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.411 -8.449 17.980 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.147 -7.664 17.054 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.236 -6.241 18.760 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.567 -6.520 19.215 1.00 0.00 H new ATOM 477 N MET A 30 -3.421 -9.819 15.649 1.00 0.00 N ATOM 478 CA MET A 30 -3.231 -11.094 14.920 1.00 0.00 C ATOM 479 C MET A 30 -3.840 -11.049 13.496 1.00 0.00 C ATOM 480 O MET A 30 -3.295 -11.636 12.556 1.00 0.00 O ATOM 481 CB MET A 30 -3.849 -12.249 15.750 1.00 0.00 C ATOM 482 CG MET A 30 -3.181 -12.520 17.111 1.00 0.00 C ATOM 483 SD MET A 30 -1.430 -12.995 16.982 1.00 0.00 S ATOM 484 CE MET A 30 -0.562 -11.445 17.263 1.00 0.00 C ATOM 0 H MET A 30 -3.990 -9.912 16.491 1.00 0.00 H new ATOM 0 HA MET A 30 -2.162 -11.263 14.794 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.903 -12.027 15.920 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.807 -13.162 15.156 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.262 -11.626 17.730 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.727 -13.313 17.623 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.309 -11.392 16.610 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.229 -10.610 17.047 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.240 -11.392 18.303 1.00 0.00 H new ATOM 494 N ILE A 31 -4.965 -10.336 13.363 1.00 0.00 N ATOM 495 CA ILE A 31 -5.685 -10.176 12.081 1.00 0.00 C ATOM 496 C ILE A 31 -4.915 -9.246 11.126 1.00 0.00 C ATOM 497 O ILE A 31 -4.559 -9.634 10.010 1.00 0.00 O ATOM 498 CB ILE A 31 -7.128 -9.583 12.353 1.00 0.00 C ATOM 499 CG1 ILE A 31 -7.963 -10.554 13.251 1.00 0.00 C ATOM 500 CG2 ILE A 31 -7.890 -9.251 11.037 1.00 0.00 C ATOM 501 CD1 ILE A 31 -9.160 -9.907 13.931 1.00 0.00 C ATOM 0 H ILE A 31 -5.409 -9.849 14.142 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.770 -11.155 11.610 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.993 -8.642 12.886 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.314 -11.385 12.639 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.310 -10.975 14.015 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.874 -8.848 11.278 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.325 -8.514 10.466 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.005 -10.159 10.444 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.682 -10.651 14.533 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.819 -9.095 14.573 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.838 -9.511 13.175 1.00 0.00 H new ATOM 513 N VAL A 32 -4.596 -8.051 11.632 1.00 0.00 N ATOM 514 CA VAL A 32 -4.094 -6.933 10.813 1.00 0.00 C ATOM 515 C VAL A 32 -2.621 -7.142 10.394 1.00 0.00 C ATOM 516 O VAL A 32 -2.238 -6.837 9.257 1.00 0.00 O ATOM 517 CB VAL A 32 -4.307 -5.576 11.577 1.00 0.00 C ATOM 518 CG1 VAL A 32 -3.713 -4.384 10.802 1.00 0.00 C ATOM 519 CG2 VAL A 32 -5.818 -5.345 11.858 1.00 0.00 C ATOM 0 H VAL A 32 -4.677 -7.827 12.624 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.667 -6.897 9.887 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.777 -5.645 12.527 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.881 -3.465 11.363 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.642 -4.536 10.666 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.195 -4.307 9.827 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.949 -4.401 12.388 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.362 -5.310 10.914 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.203 -6.161 12.469 1.00 0.00 H new ATOM 529 N LEU A 33 -1.825 -7.715 11.310 1.00 0.00 N ATOM 530 CA LEU A 33 -0.404 -8.068 11.063 1.00 0.00 C ATOM 531 C LEU A 33 -0.274 -9.243 10.055 1.00 0.00 C ATOM 532 O LEU A 33 0.818 -9.510 9.542 1.00 0.00 O ATOM 533 CB LEU A 33 0.307 -8.393 12.417 1.00 0.00 C ATOM 534 CG LEU A 33 0.826 -7.173 13.258 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.987 -6.455 12.543 1.00 0.00 C ATOM 536 CD2 LEU A 33 -0.304 -6.175 13.610 1.00 0.00 C ATOM 0 H LEU A 33 -2.143 -7.951 12.250 1.00 0.00 H new ATOM 0 HA LEU A 33 0.091 -7.209 10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.387 -8.961 13.036 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.155 -9.045 12.207 1.00 0.00 H new ATOM 0 HG LEU A 33 1.200 -7.579 14.198 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.324 -5.615 13.150 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.812 -7.152 12.398 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.647 -6.089 11.574 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.107 -5.350 14.192 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.746 -5.787 12.692 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.070 -6.684 14.194 1.00 0.00 H new ATOM 548 N HIS A 34 -1.400 -9.939 9.791 1.00 0.00 N ATOM 549 CA HIS A 34 -1.496 -10.999 8.758 1.00 0.00 C ATOM 550 C HIS A 34 -2.298 -10.495 7.532 1.00 0.00 C ATOM 551 O HIS A 34 -2.905 -11.291 6.794 1.00 0.00 O ATOM 552 CB HIS A 34 -2.105 -12.288 9.381 1.00 0.00 C ATOM 553 CG HIS A 34 -1.129 -13.050 10.248 1.00 0.00 C ATOM 554 ND1 HIS A 34 -0.690 -14.323 9.949 1.00 0.00 N ATOM 555 CD2 HIS A 34 -0.468 -12.690 11.379 1.00 0.00 C ATOM 556 CE1 HIS A 34 0.200 -14.707 10.840 1.00 0.00 C ATOM 557 NE2 HIS A 34 0.349 -13.737 11.721 1.00 0.00 N ATOM 0 H HIS A 34 -2.275 -9.782 10.291 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.498 -11.249 8.397 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.977 -12.018 9.977 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.455 -12.940 8.581 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.567 -11.754 11.909 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.719 -15.654 10.848 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.972 -13.762 12.528 1.00 0.00 H new ATOM 566 N GLY A 35 -2.280 -9.156 7.339 1.00 0.00 N ATOM 567 CA GLY A 35 -2.862 -8.501 6.158 1.00 0.00 C ATOM 568 C GLY A 35 -4.377 -8.405 6.196 1.00 0.00 C ATOM 569 O GLY A 35 -5.022 -8.256 5.154 1.00 0.00 O ATOM 0 H GLY A 35 -1.860 -8.504 8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.446 -7.498 6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.564 -9.051 5.265 1.00 0.00 H new ATOM 573 N GLY A 36 -4.947 -8.470 7.402 1.00 0.00 N ATOM 574 CA GLY A 36 -6.392 -8.480 7.581 1.00 0.00 C ATOM 575 C GLY A 36 -6.964 -7.128 7.902 1.00 0.00 C ATOM 576 O GLY A 36 -6.255 -6.252 8.406 1.00 0.00 O ATOM 0 H GLY A 36 -4.419 -8.517 8.274 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.860 -8.858 6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.646 -9.173 8.383 1.00 0.00 H new ATOM 580 N LYS A 37 -8.264 -6.949 7.612 1.00 0.00 N ATOM 581 CA LYS A 37 -8.988 -5.726 7.982 1.00 0.00 C ATOM 582 C LYS A 37 -9.902 -6.035 9.165 1.00 0.00 C ATOM 583 O LYS A 37 -10.447 -7.136 9.267 1.00 0.00 O ATOM 584 CB LYS A 37 -9.806 -5.155 6.788 1.00 0.00 C ATOM 585 CG LYS A 37 -10.524 -3.781 7.041 1.00 0.00 C ATOM 586 CD LYS A 37 -9.581 -2.525 7.042 1.00 0.00 C ATOM 587 CE LYS A 37 -8.747 -2.339 8.331 1.00 0.00 C ATOM 588 NZ LYS A 37 -7.911 -1.115 8.298 1.00 0.00 N ATOM 0 H LYS A 37 -8.834 -7.638 7.122 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.264 -4.960 8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.136 -5.041 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.560 -5.890 6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.288 -3.642 6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.039 -3.830 8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.901 -2.599 6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.188 -1.633 6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.417 -2.294 9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.106 -3.209 8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.373 -1.038 9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.251 -1.167 7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.522 -0.280 8.190 1.00 0.00 H new ATOM 602 N PHE A 38 -10.040 -5.055 10.062 1.00 0.00 N ATOM 603 CA PHE A 38 -10.984 -5.106 11.177 1.00 0.00 C ATOM 604 C PHE A 38 -12.016 -3.985 10.998 1.00 0.00 C ATOM 605 O PHE A 38 -11.750 -2.984 10.318 1.00 0.00 O ATOM 606 CB PHE A 38 -10.242 -4.967 12.540 1.00 0.00 C ATOM 607 CG PHE A 38 -9.703 -3.564 12.854 1.00 0.00 C ATOM 608 CD1 PHE A 38 -8.586 -3.057 12.194 1.00 0.00 C ATOM 609 CD2 PHE A 38 -10.325 -2.748 13.807 1.00 0.00 C ATOM 610 CE1 PHE A 38 -8.109 -1.789 12.468 1.00 0.00 C ATOM 611 CE2 PHE A 38 -9.845 -1.480 14.081 1.00 0.00 C ATOM 612 CZ PHE A 38 -8.740 -1.001 13.410 1.00 0.00 C ATOM 0 H PHE A 38 -9.492 -4.195 10.032 1.00 0.00 H new ATOM 0 HA PHE A 38 -11.491 -6.071 11.182 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -10.923 -5.263 13.338 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.409 -5.670 12.555 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.084 -3.665 11.456 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.192 -3.114 14.336 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -7.242 -1.414 11.945 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.336 -0.865 14.821 1.00 0.00 H new ATOM 0 HZ PHE A 38 -8.368 -0.009 13.621 1.00 0.00 H new ATOM 622 N LEU A 39 -13.181 -4.158 11.621 1.00 0.00 N ATOM 623 CA LEU A 39 -14.239 -3.154 11.637 1.00 0.00 C ATOM 624 C LEU A 39 -14.472 -2.772 13.105 1.00 0.00 C ATOM 625 O LEU A 39 -14.739 -3.637 13.940 1.00 0.00 O ATOM 626 CB LEU A 39 -15.538 -3.687 10.929 1.00 0.00 C ATOM 627 CG LEU A 39 -16.202 -2.713 9.897 1.00 0.00 C ATOM 628 CD1 LEU A 39 -16.697 -1.417 10.563 1.00 0.00 C ATOM 629 CD2 LEU A 39 -15.240 -2.405 8.724 1.00 0.00 C ATOM 0 H LEU A 39 -13.417 -5.008 12.133 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.951 -2.267 11.073 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.294 -4.617 10.416 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.273 -3.929 11.696 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.078 -3.221 9.493 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.150 -0.771 9.811 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -17.437 -1.660 11.326 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.855 -0.901 11.025 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.727 -1.727 8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.333 -1.939 9.110 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.982 -3.332 8.212 1.00 0.00 H new ATOM 641 N HIS A 40 -14.339 -1.473 13.395 1.00 0.00 N ATOM 642 CA HIS A 40 -14.408 -0.920 14.760 1.00 0.00 C ATOM 643 C HIS A 40 -15.851 -0.923 15.307 1.00 0.00 C ATOM 644 O HIS A 40 -16.069 -1.082 16.513 1.00 0.00 O ATOM 645 CB HIS A 40 -13.831 0.525 14.768 1.00 0.00 C ATOM 646 CG HIS A 40 -14.654 1.553 14.014 1.00 0.00 C ATOM 647 ND1 HIS A 40 -15.217 1.523 12.775 1.00 0.00 N flip ATOM 648 CD2 HIS A 40 -14.982 2.785 14.540 1.00 0.00 C flip ATOM 649 CE1 HIS A 40 -15.852 2.721 12.588 1.00 0.00 C flip ATOM 650 NE2 HIS A 40 -15.699 3.461 13.665 1.00 0.00 N flip ATOM 0 H HIS A 40 -14.178 -0.763 12.681 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.811 -1.556 15.413 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.729 0.853 15.803 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -12.829 0.501 14.341 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -14.695 3.141 15.519 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -16.392 3.012 11.699 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -16.073 4.400 13.800 1.00 0.00 H new ATOM 659 N TYR A 41 -16.812 -0.733 14.389 1.00 0.00 N ATOM 660 CA TYR A 41 -18.231 -0.544 14.702 1.00 0.00 C ATOM 661 C TYR A 41 -19.010 -0.458 13.383 1.00 0.00 C ATOM 662 O TYR A 41 -18.671 0.360 12.518 1.00 0.00 O ATOM 663 CB TYR A 41 -18.462 0.753 15.540 1.00 0.00 C ATOM 664 CG TYR A 41 -19.929 0.976 15.941 1.00 0.00 C ATOM 665 CD1 TYR A 41 -20.502 0.245 16.983 1.00 0.00 C ATOM 666 CD2 TYR A 41 -20.745 1.894 15.272 1.00 0.00 C ATOM 667 CE1 TYR A 41 -21.824 0.419 17.338 1.00 0.00 C ATOM 668 CE2 TYR A 41 -22.069 2.075 15.630 1.00 0.00 C ATOM 669 CZ TYR A 41 -22.604 1.331 16.662 1.00 0.00 C ATOM 670 OH TYR A 41 -23.927 1.491 17.020 1.00 0.00 O ATOM 0 H TYR A 41 -16.616 -0.707 13.388 1.00 0.00 H new ATOM 0 HA TYR A 41 -18.579 -1.387 15.299 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -17.851 0.706 16.442 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.117 1.613 14.965 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -19.899 -0.471 17.522 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -20.333 2.474 14.459 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -22.247 -0.160 18.146 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -22.680 2.794 15.105 1.00 0.00 H new ATOM 0 HH TYR A 41 -24.340 2.172 16.449 1.00 0.00 H new ATOM 743 N LYS A 46 -23.982 -3.595 5.742 1.00 0.00 N ATOM 744 CA LYS A 46 -23.069 -4.757 5.735 1.00 0.00 C ATOM 745 C LYS A 46 -21.645 -4.355 5.277 1.00 0.00 C ATOM 746 O LYS A 46 -21.341 -4.342 4.084 1.00 0.00 O ATOM 747 CB LYS A 46 -23.674 -5.946 4.880 1.00 0.00 C ATOM 748 CG LYS A 46 -24.653 -5.578 3.725 1.00 0.00 C ATOM 749 CD LYS A 46 -24.006 -4.837 2.527 1.00 0.00 C ATOM 750 CE LYS A 46 -22.999 -5.700 1.738 1.00 0.00 C ATOM 751 NZ LYS A 46 -23.638 -6.893 1.128 1.00 0.00 N ATOM 0 HA LYS A 46 -22.970 -5.121 6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.844 -6.508 4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -24.196 -6.618 5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -25.118 -6.493 3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -25.451 -4.955 4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -24.792 -4.501 1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -23.498 -3.945 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -22.541 -5.096 0.955 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -22.198 -6.020 2.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -22.953 -7.377 0.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -23.948 -7.542 1.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -24.460 -6.596 0.565 1.00 0.00 H new ATOM 765 N THR A 47 -20.774 -3.997 6.233 1.00 0.00 N ATOM 766 CA THR A 47 -19.377 -3.600 5.938 1.00 0.00 C ATOM 767 C THR A 47 -18.374 -4.577 6.609 1.00 0.00 C ATOM 768 O THR A 47 -17.175 -4.296 6.723 1.00 0.00 O ATOM 769 CB THR A 47 -19.151 -2.113 6.390 1.00 0.00 C ATOM 770 OG1 THR A 47 -20.275 -1.319 5.977 1.00 0.00 O ATOM 771 CG2 THR A 47 -17.871 -1.484 5.800 1.00 0.00 C ATOM 0 H THR A 47 -21.009 -3.972 7.225 1.00 0.00 H new ATOM 0 HA THR A 47 -19.199 -3.658 4.864 1.00 0.00 H new ATOM 0 HB THR A 47 -19.041 -2.128 7.474 1.00 0.00 H new ATOM 0 HG1 THR A 47 -20.140 -0.390 6.258 1.00 0.00 H new ATOM 0 HG21 THR A 47 -17.775 -0.457 6.152 1.00 0.00 H new ATOM 0 HG22 THR A 47 -17.002 -2.060 6.119 1.00 0.00 H new ATOM 0 HG23 THR A 47 -17.931 -1.491 4.712 1.00 0.00 H new ATOM 779 N VAL A 48 -18.868 -5.768 7.006 1.00 0.00 N ATOM 780 CA VAL A 48 -18.019 -6.831 7.581 1.00 0.00 C ATOM 781 C VAL A 48 -18.429 -8.205 7.004 1.00 0.00 C ATOM 782 O VAL A 48 -19.588 -8.404 6.627 1.00 0.00 O ATOM 783 CB VAL A 48 -18.066 -6.825 9.163 1.00 0.00 C ATOM 784 CG1 VAL A 48 -19.413 -7.335 9.725 1.00 0.00 C ATOM 785 CG2 VAL A 48 -16.883 -7.610 9.758 1.00 0.00 C ATOM 0 H VAL A 48 -19.855 -6.018 6.938 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.985 -6.634 7.299 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.976 -5.783 9.471 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -19.386 -7.308 10.814 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -20.222 -6.698 9.366 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.582 -8.359 9.391 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.942 -7.588 10.846 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -16.922 -8.643 9.413 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.946 -7.155 9.437 1.00 0.00 H new ATOM 795 N THR A 49 -17.458 -9.133 6.909 1.00 0.00 N ATOM 796 CA THR A 49 -17.666 -10.473 6.316 1.00 0.00 C ATOM 797 C THR A 49 -17.698 -11.564 7.407 1.00 0.00 C ATOM 798 O THR A 49 -18.392 -12.578 7.279 1.00 0.00 O ATOM 799 CB THR A 49 -16.531 -10.789 5.284 1.00 0.00 C ATOM 800 OG1 THR A 49 -15.249 -10.737 5.938 1.00 0.00 O ATOM 801 CG2 THR A 49 -16.533 -9.796 4.109 1.00 0.00 C ATOM 0 H THR A 49 -16.506 -8.977 7.241 1.00 0.00 H new ATOM 0 HA THR A 49 -18.629 -10.469 5.805 1.00 0.00 H new ATOM 0 HB THR A 49 -16.717 -11.788 4.889 1.00 0.00 H new ATOM 0 HG1 THR A 49 -15.046 -11.612 6.329 1.00 0.00 H new ATOM 0 HG21 THR A 49 -15.731 -10.050 3.416 1.00 0.00 H new ATOM 0 HG22 THR A 49 -17.490 -9.848 3.590 1.00 0.00 H new ATOM 0 HG23 THR A 49 -16.379 -8.785 4.487 1.00 0.00 H new ATOM 809 N HIS A 50 -16.932 -11.330 8.480 1.00 0.00 N ATOM 810 CA HIS A 50 -16.741 -12.281 9.588 1.00 0.00 C ATOM 811 C HIS A 50 -16.858 -11.515 10.906 1.00 0.00 C ATOM 812 O HIS A 50 -16.228 -10.479 11.064 1.00 0.00 O ATOM 813 CB HIS A 50 -15.339 -12.958 9.506 1.00 0.00 C ATOM 814 CG HIS A 50 -15.128 -13.842 8.299 1.00 0.00 C ATOM 815 ND1 HIS A 50 -14.690 -13.367 7.081 1.00 0.00 N ATOM 816 CD2 HIS A 50 -15.295 -15.178 8.133 1.00 0.00 C ATOM 817 CE1 HIS A 50 -14.606 -14.366 6.222 1.00 0.00 C ATOM 818 NE2 HIS A 50 -14.966 -15.476 6.833 1.00 0.00 N ATOM 0 H HIS A 50 -16.417 -10.459 8.607 1.00 0.00 H new ATOM 0 HA HIS A 50 -17.500 -13.061 9.526 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -14.576 -12.180 9.506 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -15.187 -13.554 10.406 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -15.626 -15.879 8.885 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.294 -14.286 5.191 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.996 -16.404 6.410 1.00 0.00 H new ATOM 827 N ILE A 51 -17.678 -12.005 11.838 1.00 0.00 N ATOM 828 CA ILE A 51 -17.783 -11.420 13.196 1.00 0.00 C ATOM 829 C ILE A 51 -17.254 -12.430 14.224 1.00 0.00 C ATOM 830 O ILE A 51 -17.773 -13.519 14.343 1.00 0.00 O ATOM 831 CB ILE A 51 -19.257 -10.976 13.540 1.00 0.00 C ATOM 832 CG1 ILE A 51 -19.685 -9.780 12.626 1.00 0.00 C ATOM 833 CG2 ILE A 51 -19.430 -10.626 15.049 1.00 0.00 C ATOM 834 CD1 ILE A 51 -21.069 -9.213 12.907 1.00 0.00 C ATOM 0 H ILE A 51 -18.286 -12.810 11.685 1.00 0.00 H new ATOM 0 HA ILE A 51 -17.175 -10.516 13.229 1.00 0.00 H new ATOM 0 HB ILE A 51 -19.915 -11.822 13.341 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -18.953 -8.980 12.735 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -19.648 -10.106 11.587 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -20.461 -10.326 15.237 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -19.190 -11.500 15.655 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -18.760 -9.807 15.312 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -21.271 -8.390 12.222 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -21.817 -9.993 12.767 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -21.112 -8.849 13.934 1.00 0.00 H new ATOM 846 N VAL A 52 -16.205 -12.051 14.951 1.00 0.00 N ATOM 847 CA VAL A 52 -15.597 -12.902 15.981 1.00 0.00 C ATOM 848 C VAL A 52 -16.252 -12.625 17.330 1.00 0.00 C ATOM 849 O VAL A 52 -16.188 -11.518 17.843 1.00 0.00 O ATOM 850 CB VAL A 52 -14.054 -12.653 16.046 1.00 0.00 C ATOM 851 CG1 VAL A 52 -13.384 -13.397 17.230 1.00 0.00 C ATOM 852 CG2 VAL A 52 -13.427 -13.050 14.700 1.00 0.00 C ATOM 0 H VAL A 52 -15.749 -11.145 14.845 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.759 -13.949 15.726 1.00 0.00 H new ATOM 0 HB VAL A 52 -13.881 -11.592 16.228 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.314 -13.191 17.230 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -13.820 -13.054 18.168 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.547 -14.470 17.125 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.351 -12.880 14.736 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.621 -14.105 14.505 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -13.863 -12.447 13.903 1.00 0.00 H new ATOM 862 N ALA A 53 -16.872 -13.656 17.898 1.00 0.00 N ATOM 863 CA ALA A 53 -17.619 -13.552 19.145 1.00 0.00 C ATOM 864 C ALA A 53 -17.397 -14.801 19.999 1.00 0.00 C ATOM 865 O ALA A 53 -17.220 -15.907 19.480 1.00 0.00 O ATOM 866 CB ALA A 53 -19.111 -13.346 18.836 1.00 0.00 C ATOM 0 H ALA A 53 -16.869 -14.595 17.501 1.00 0.00 H new ATOM 0 HA ALA A 53 -17.263 -12.693 19.713 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.669 -13.268 19.769 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.240 -12.430 18.259 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -19.484 -14.193 18.260 1.00 0.00 H new ATOM 872 N SER A 54 -17.345 -14.594 21.315 1.00 0.00 N ATOM 873 CA SER A 54 -17.422 -15.674 22.309 1.00 0.00 C ATOM 874 C SER A 54 -18.717 -15.467 23.121 1.00 0.00 C ATOM 875 O SER A 54 -19.414 -16.427 23.463 1.00 0.00 O ATOM 876 CB SER A 54 -16.160 -15.679 23.198 1.00 0.00 C ATOM 877 OG SER A 54 -16.144 -16.775 24.096 1.00 0.00 O ATOM 0 H SER A 54 -17.248 -13.666 21.728 1.00 0.00 H new ATOM 0 HA SER A 54 -17.456 -16.652 21.828 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.272 -15.716 22.566 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.111 -14.748 23.762 1.00 0.00 H new ATOM 0 HG SER A 54 -15.329 -16.742 24.638 1.00 0.00 H new ATOM 883 N ASN A 55 -19.046 -14.181 23.390 1.00 0.00 N ATOM 884 CA ASN A 55 -20.333 -13.780 23.981 1.00 0.00 C ATOM 885 C ASN A 55 -21.237 -13.310 22.844 1.00 0.00 C ATOM 886 O ASN A 55 -21.106 -12.170 22.371 1.00 0.00 O ATOM 887 CB ASN A 55 -20.169 -12.638 25.026 1.00 0.00 C ATOM 888 CG ASN A 55 -19.273 -13.014 26.199 1.00 0.00 C ATOM 889 OD1 ASN A 55 -18.089 -12.724 26.195 1.00 0.00 O ATOM 890 ND2 ASN A 55 -19.828 -13.677 27.199 1.00 0.00 N ATOM 0 H ASN A 55 -18.422 -13.396 23.201 1.00 0.00 H new ATOM 0 HA ASN A 55 -20.763 -14.632 24.507 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.756 -11.759 24.531 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -21.152 -12.358 25.405 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -19.262 -13.962 27.999 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -20.822 -13.904 27.171 1.00 0.00 H new ATOM 897 N LEU A 56 -22.125 -14.196 22.374 1.00 0.00 N ATOM 898 CA LEU A 56 -23.055 -13.880 21.285 1.00 0.00 C ATOM 899 C LEU A 56 -24.446 -14.491 21.578 1.00 0.00 C ATOM 900 O LEU A 56 -24.591 -15.719 21.536 1.00 0.00 O ATOM 901 CB LEU A 56 -22.516 -14.394 19.931 1.00 0.00 C ATOM 902 CG LEU A 56 -23.317 -13.933 18.670 1.00 0.00 C ATOM 903 CD1 LEU A 56 -23.239 -12.401 18.467 1.00 0.00 C ATOM 904 CD2 LEU A 56 -22.838 -14.680 17.422 1.00 0.00 C ATOM 0 H LEU A 56 -22.218 -15.145 22.736 1.00 0.00 H new ATOM 0 HA LEU A 56 -23.151 -12.796 21.221 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -21.482 -14.066 19.823 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.504 -15.484 19.954 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.365 -14.181 18.837 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -23.808 -12.122 17.580 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -23.655 -11.897 19.339 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -22.198 -12.104 18.338 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.408 -14.344 16.556 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -21.779 -14.477 17.260 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.985 -15.751 17.560 1.00 0.00 H new ATOM 916 N PRO A 57 -25.476 -13.639 21.883 1.00 0.00 N ATOM 917 CA PRO A 57 -26.857 -14.098 22.188 1.00 0.00 C ATOM 918 C PRO A 57 -27.553 -14.699 20.950 1.00 0.00 C ATOM 919 O PRO A 57 -27.176 -14.384 19.816 1.00 0.00 O ATOM 920 CB PRO A 57 -27.578 -12.799 22.677 1.00 0.00 C ATOM 921 CG PRO A 57 -26.467 -11.828 22.956 1.00 0.00 C ATOM 922 CD PRO A 57 -25.392 -12.162 21.953 1.00 0.00 C ATOM 0 HA PRO A 57 -26.875 -14.897 22.929 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -28.259 -12.414 21.918 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -28.172 -12.989 23.571 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -26.806 -10.798 22.843 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -26.100 -11.932 23.977 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -25.580 -11.697 20.985 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -24.409 -11.825 22.283 1.00 0.00 H new ATOM 930 N LEU A 58 -28.589 -15.523 21.189 1.00 0.00 N ATOM 931 CA LEU A 58 -29.309 -16.265 20.129 1.00 0.00 C ATOM 932 C LEU A 58 -29.957 -15.307 19.107 1.00 0.00 C ATOM 933 O LEU A 58 -29.904 -15.542 17.896 1.00 0.00 O ATOM 934 CB LEU A 58 -30.385 -17.187 20.765 1.00 0.00 C ATOM 935 CG LEU A 58 -29.877 -18.242 21.800 1.00 0.00 C ATOM 936 CD1 LEU A 58 -31.044 -19.063 22.391 1.00 0.00 C ATOM 937 CD2 LEU A 58 -28.798 -19.166 21.193 1.00 0.00 C ATOM 0 H LEU A 58 -28.955 -15.696 22.125 1.00 0.00 H new ATOM 0 HA LEU A 58 -28.584 -16.877 19.593 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -31.127 -16.557 21.256 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -30.898 -17.717 19.962 1.00 0.00 H new ATOM 0 HG LEU A 58 -29.413 -17.690 22.617 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -30.654 -19.787 23.107 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -31.741 -18.394 22.895 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -31.562 -19.589 21.589 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -28.471 -19.885 21.944 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -29.214 -19.698 20.338 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -27.947 -18.567 20.869 1.00 0.00 H new ATOM 949 N LYS A 59 -30.536 -14.205 19.622 1.00 0.00 N ATOM 950 CA LYS A 59 -31.187 -13.161 18.799 1.00 0.00 C ATOM 951 C LYS A 59 -30.161 -12.406 17.933 1.00 0.00 C ATOM 952 O LYS A 59 -30.497 -11.900 16.861 1.00 0.00 O ATOM 953 CB LYS A 59 -31.950 -12.162 19.707 1.00 0.00 C ATOM 954 CG LYS A 59 -33.054 -12.806 20.581 1.00 0.00 C ATOM 955 CD LYS A 59 -34.239 -13.377 19.761 1.00 0.00 C ATOM 956 CE LYS A 59 -35.029 -12.290 19.011 1.00 0.00 C ATOM 957 NZ LYS A 59 -36.247 -12.832 18.360 1.00 0.00 N ATOM 0 H LYS A 59 -30.567 -14.011 20.623 1.00 0.00 H new ATOM 0 HA LYS A 59 -31.894 -13.655 18.132 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -31.233 -11.662 20.359 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -32.402 -11.393 19.081 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -32.614 -13.607 21.175 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -33.433 -12.061 21.281 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -33.860 -14.104 19.043 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -34.913 -13.912 20.430 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -35.312 -11.502 19.709 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -34.389 -11.833 18.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -36.748 -12.065 17.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -35.977 -13.566 17.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -36.872 -13.245 19.082 1.00 0.00 H new ATOM 971 N LYS A 60 -28.908 -12.328 18.422 1.00 0.00 N ATOM 972 CA LYS A 60 -27.792 -11.682 17.694 1.00 0.00 C ATOM 973 C LYS A 60 -27.101 -12.673 16.745 1.00 0.00 C ATOM 974 O LYS A 60 -26.337 -12.259 15.882 1.00 0.00 O ATOM 975 CB LYS A 60 -26.777 -11.017 18.678 1.00 0.00 C ATOM 976 CG LYS A 60 -27.184 -9.597 19.159 1.00 0.00 C ATOM 977 CD LYS A 60 -28.492 -9.565 19.989 1.00 0.00 C ATOM 978 CE LYS A 60 -29.079 -8.144 20.123 1.00 0.00 C ATOM 979 NZ LYS A 60 -28.112 -7.175 20.712 1.00 0.00 N ATOM 0 H LYS A 60 -28.639 -12.709 19.329 1.00 0.00 H new ATOM 0 HA LYS A 60 -28.213 -10.885 17.081 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -26.658 -11.662 19.549 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -25.804 -10.957 18.191 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -26.374 -9.182 19.759 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -27.301 -8.950 18.290 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -29.230 -10.216 19.521 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -28.297 -9.968 20.983 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -29.389 -7.789 19.140 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -29.973 -8.182 20.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -28.563 -6.242 20.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -27.821 -7.504 21.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -27.276 -7.102 20.098 1.00 0.00 H new ATOM 993 N ARG A 61 -27.367 -13.984 16.910 1.00 0.00 N ATOM 994 CA ARG A 61 -26.998 -14.993 15.887 1.00 0.00 C ATOM 995 C ARG A 61 -27.957 -14.873 14.684 1.00 0.00 C ATOM 996 O ARG A 61 -27.590 -15.200 13.557 1.00 0.00 O ATOM 997 CB ARG A 61 -27.019 -16.442 16.453 1.00 0.00 C ATOM 998 CG ARG A 61 -26.161 -16.647 17.722 1.00 0.00 C ATOM 999 CD ARG A 61 -25.990 -18.128 18.104 1.00 0.00 C ATOM 1000 NE ARG A 61 -27.277 -18.865 18.144 1.00 0.00 N ATOM 1001 CZ ARG A 61 -27.458 -20.130 17.711 1.00 0.00 C ATOM 1002 NH1 ARG A 61 -26.460 -20.807 17.146 1.00 0.00 N ATOM 1003 NH2 ARG A 61 -28.645 -20.708 17.840 1.00 0.00 N ATOM 0 H ARG A 61 -27.831 -14.370 17.732 1.00 0.00 H new ATOM 0 HA ARG A 61 -25.975 -14.792 15.570 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -28.050 -16.715 16.679 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -26.670 -17.126 15.679 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -25.178 -16.203 17.564 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -26.621 -16.114 18.554 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -25.324 -18.608 17.387 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -25.509 -18.193 19.080 1.00 0.00 H new ATOM 0 HE ARG A 61 -28.087 -18.378 18.528 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -25.545 -20.370 17.036 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -26.611 -21.763 16.823 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -29.418 -20.196 18.266 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -28.785 -21.664 17.514 1.00 0.00 H new ATOM 1017 N ILE A 62 -29.202 -14.414 14.958 1.00 0.00 N ATOM 1018 CA ILE A 62 -30.203 -14.094 13.911 1.00 0.00 C ATOM 1019 C ILE A 62 -29.886 -12.722 13.266 1.00 0.00 C ATOM 1020 O ILE A 62 -29.958 -12.561 12.045 1.00 0.00 O ATOM 1021 CB ILE A 62 -31.666 -14.059 14.504 1.00 0.00 C ATOM 1022 CG1 ILE A 62 -31.974 -15.360 15.313 1.00 0.00 C ATOM 1023 CG2 ILE A 62 -32.723 -13.843 13.384 1.00 0.00 C ATOM 1024 CD1 ILE A 62 -33.312 -15.359 16.040 1.00 0.00 C ATOM 0 H ILE A 62 -29.540 -14.256 15.907 1.00 0.00 H new ATOM 0 HA ILE A 62 -30.150 -14.879 13.157 1.00 0.00 H new ATOM 0 HB ILE A 62 -31.725 -13.212 15.188 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -31.948 -16.210 14.631 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -31.180 -15.513 16.044 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -33.720 -13.824 13.824 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -32.530 -12.896 12.880 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -32.660 -14.658 12.663 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -33.437 -16.302 16.573 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -33.339 -14.534 16.751 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -34.119 -15.241 15.317 1.00 0.00 H new ATOM 1036 N GLU A 63 -29.540 -11.739 14.114 1.00 0.00 N ATOM 1037 CA GLU A 63 -29.248 -10.349 13.686 1.00 0.00 C ATOM 1038 C GLU A 63 -27.947 -10.280 12.862 1.00 0.00 C ATOM 1039 O GLU A 63 -27.819 -9.457 11.946 1.00 0.00 O ATOM 1040 CB GLU A 63 -29.169 -9.419 14.935 1.00 0.00 C ATOM 1041 CG GLU A 63 -28.733 -7.962 14.653 1.00 0.00 C ATOM 1042 CD GLU A 63 -28.834 -7.039 15.883 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -28.049 -7.219 16.834 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -29.707 -6.137 15.907 1.00 0.00 O ATOM 0 H GLU A 63 -29.453 -11.880 15.120 1.00 0.00 H new ATOM 0 HA GLU A 63 -30.058 -10.006 13.042 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -30.147 -9.401 15.415 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -28.472 -9.857 15.649 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -27.704 -7.963 14.293 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -29.351 -7.555 13.852 1.00 0.00 H new ATOM 1051 N PHE A 64 -26.993 -11.158 13.195 1.00 0.00 N ATOM 1052 CA PHE A 64 -25.698 -11.258 12.502 1.00 0.00 C ATOM 1053 C PHE A 64 -25.614 -12.569 11.692 1.00 0.00 C ATOM 1054 O PHE A 64 -24.522 -13.077 11.450 1.00 0.00 O ATOM 1055 CB PHE A 64 -24.526 -11.143 13.523 1.00 0.00 C ATOM 1056 CG PHE A 64 -24.475 -9.827 14.315 1.00 0.00 C ATOM 1057 CD1 PHE A 64 -24.634 -8.597 13.675 1.00 0.00 C ATOM 1058 CD2 PHE A 64 -24.242 -9.820 15.694 1.00 0.00 C ATOM 1059 CE1 PHE A 64 -24.565 -7.409 14.383 1.00 0.00 C ATOM 1060 CE2 PHE A 64 -24.176 -8.631 16.400 1.00 0.00 C ATOM 1061 CZ PHE A 64 -24.338 -7.427 15.744 1.00 0.00 C ATOM 0 H PHE A 64 -27.097 -11.826 13.959 1.00 0.00 H new ATOM 0 HA PHE A 64 -25.612 -10.430 11.799 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -24.598 -11.971 14.229 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -23.585 -11.262 12.986 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -24.814 -8.571 12.610 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -24.112 -10.756 16.216 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -24.689 -6.467 13.869 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -23.998 -8.645 17.465 1.00 0.00 H new ATOM 0 HZ PHE A 64 -24.287 -6.500 16.296 1.00 0.00 H new ATOM 1071 N ALA A 65 -26.785 -13.084 11.258 1.00 0.00 N ATOM 1072 CA ALA A 65 -26.894 -14.362 10.510 1.00 0.00 C ATOM 1073 C ALA A 65 -26.152 -14.322 9.154 1.00 0.00 C ATOM 1074 O ALA A 65 -25.505 -15.298 8.770 1.00 0.00 O ATOM 1075 CB ALA A 65 -28.370 -14.719 10.284 1.00 0.00 C ATOM 0 H ALA A 65 -27.683 -12.627 11.415 1.00 0.00 H new ATOM 0 HA ALA A 65 -26.416 -15.128 11.120 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -28.437 -15.658 9.735 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -28.870 -14.825 11.247 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -28.852 -13.928 9.710 1.00 0.00 H new ATOM 1081 N ASN A 66 -26.268 -13.188 8.432 1.00 0.00 N ATOM 1082 CA ASN A 66 -25.627 -13.003 7.104 1.00 0.00 C ATOM 1083 C ASN A 66 -24.102 -12.821 7.239 1.00 0.00 C ATOM 1084 O ASN A 66 -23.345 -13.108 6.302 1.00 0.00 O ATOM 1085 CB ASN A 66 -26.254 -11.794 6.362 1.00 0.00 C ATOM 1086 CG ASN A 66 -27.715 -12.029 5.949 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -27.992 -12.535 4.861 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -28.659 -11.668 6.813 1.00 0.00 N ATOM 0 H ASN A 66 -26.803 -12.378 8.746 1.00 0.00 H new ATOM 0 HA ASN A 66 -25.806 -13.904 6.518 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -26.202 -10.915 7.004 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -25.663 -11.575 5.473 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -29.643 -11.808 6.582 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -28.400 -11.251 7.707 1.00 0.00 H new ATOM 1095 N TYR A 67 -23.667 -12.337 8.413 1.00 0.00 N ATOM 1096 CA TYR A 67 -22.241 -12.200 8.752 1.00 0.00 C ATOM 1097 C TYR A 67 -21.751 -13.535 9.334 1.00 0.00 C ATOM 1098 O TYR A 67 -22.478 -14.183 10.099 1.00 0.00 O ATOM 1099 CB TYR A 67 -22.037 -11.057 9.778 1.00 0.00 C ATOM 1100 CG TYR A 67 -22.725 -9.740 9.384 1.00 0.00 C ATOM 1101 CD1 TYR A 67 -22.289 -8.992 8.293 1.00 0.00 C ATOM 1102 CD2 TYR A 67 -23.819 -9.251 10.101 1.00 0.00 C ATOM 1103 CE1 TYR A 67 -22.915 -7.815 7.935 1.00 0.00 C ATOM 1104 CE2 TYR A 67 -24.447 -8.073 9.749 1.00 0.00 C ATOM 1105 CZ TYR A 67 -23.994 -7.358 8.665 1.00 0.00 C ATOM 1106 OH TYR A 67 -24.622 -6.187 8.299 1.00 0.00 O ATOM 0 H TYR A 67 -24.295 -12.029 9.155 1.00 0.00 H new ATOM 0 HA TYR A 67 -21.669 -11.953 7.858 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -22.418 -11.379 10.747 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.969 -10.876 9.899 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.445 -9.340 7.716 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -24.183 -9.808 10.952 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.561 -7.252 7.084 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -25.290 -7.715 10.322 1.00 0.00 H new ATOM 0 HH TYR A 67 -25.363 -6.007 8.915 1.00 0.00 H new ATOM 1116 N LYS A 68 -20.548 -13.974 8.949 1.00 0.00 N ATOM 1117 CA LYS A 68 -20.002 -15.252 9.423 1.00 0.00 C ATOM 1118 C LYS A 68 -19.486 -15.106 10.859 1.00 0.00 C ATOM 1119 O LYS A 68 -18.308 -14.775 11.080 1.00 0.00 O ATOM 1120 CB LYS A 68 -18.884 -15.756 8.483 1.00 0.00 C ATOM 1121 CG LYS A 68 -18.401 -17.197 8.782 1.00 0.00 C ATOM 1122 CD LYS A 68 -19.492 -18.294 8.598 1.00 0.00 C ATOM 1123 CE LYS A 68 -19.854 -18.592 7.122 1.00 0.00 C ATOM 1124 NZ LYS A 68 -20.698 -17.544 6.486 1.00 0.00 N ATOM 0 H LYS A 68 -19.935 -13.465 8.312 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.801 -15.994 9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -19.243 -15.712 7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.033 -15.078 8.553 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.558 -17.427 8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.032 -17.238 9.807 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -19.147 -19.215 9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -20.394 -17.985 9.126 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.934 -18.702 6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -20.378 -19.547 7.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -21.418 -17.995 5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -21.166 -16.980 7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -20.101 -16.923 5.903 1.00 0.00 H new ATOM 1138 N VAL A 69 -20.387 -15.318 11.833 1.00 0.00 N ATOM 1139 CA VAL A 69 -20.019 -15.264 13.246 1.00 0.00 C ATOM 1140 C VAL A 69 -19.262 -16.550 13.611 1.00 0.00 C ATOM 1141 O VAL A 69 -19.732 -17.651 13.330 1.00 0.00 O ATOM 1142 CB VAL A 69 -21.267 -15.013 14.182 1.00 0.00 C ATOM 1143 CG1 VAL A 69 -21.916 -13.644 13.868 1.00 0.00 C ATOM 1144 CG2 VAL A 69 -22.322 -16.141 14.091 1.00 0.00 C ATOM 0 H VAL A 69 -21.371 -15.527 11.662 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.363 -14.409 13.410 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.894 -15.009 15.206 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.774 -13.489 14.523 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -21.187 -12.850 14.031 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -22.245 -13.627 12.829 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -23.156 -15.914 14.755 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -22.685 -16.218 13.066 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.869 -17.087 14.387 1.00 0.00 H new ATOM 1154 N VAL A 70 -18.060 -16.383 14.188 1.00 0.00 N ATOM 1155 CA VAL A 70 -17.126 -17.478 14.503 1.00 0.00 C ATOM 1156 C VAL A 70 -16.549 -17.274 15.913 1.00 0.00 C ATOM 1157 O VAL A 70 -16.875 -16.300 16.592 1.00 0.00 O ATOM 1158 CB VAL A 70 -15.936 -17.577 13.450 1.00 0.00 C ATOM 1159 CG1 VAL A 70 -16.454 -17.809 12.011 1.00 0.00 C ATOM 1160 CG2 VAL A 70 -15.001 -16.337 13.503 1.00 0.00 C ATOM 0 H VAL A 70 -17.703 -15.465 14.454 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.687 -18.411 14.455 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.347 -18.448 13.738 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.609 -17.870 11.325 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -17.020 -18.740 11.974 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -17.099 -16.980 11.718 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -14.205 -16.450 12.767 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.576 -15.438 13.280 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.566 -16.252 14.499 1.00 0.00 H new ATOM 1170 N SER A 71 -15.703 -18.217 16.340 1.00 0.00 N ATOM 1171 CA SER A 71 -14.957 -18.131 17.602 1.00 0.00 C ATOM 1172 C SER A 71 -13.567 -17.483 17.369 1.00 0.00 C ATOM 1173 O SER A 71 -13.045 -17.537 16.245 1.00 0.00 O ATOM 1174 CB SER A 71 -14.813 -19.556 18.193 1.00 0.00 C ATOM 1175 OG SER A 71 -16.085 -20.170 18.354 1.00 0.00 O ATOM 0 H SER A 71 -15.514 -19.071 15.815 1.00 0.00 H new ATOM 0 HA SER A 71 -15.498 -17.501 18.308 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.191 -20.165 17.537 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.305 -19.505 19.156 1.00 0.00 H new ATOM 0 HG SER A 71 -16.470 -20.362 17.473 1.00 0.00 H new ATOM 1181 N PRO A 72 -12.947 -16.851 18.427 1.00 0.00 N ATOM 1182 CA PRO A 72 -11.556 -16.299 18.357 1.00 0.00 C ATOM 1183 C PRO A 72 -10.503 -17.362 17.976 1.00 0.00 C ATOM 1184 O PRO A 72 -9.449 -17.039 17.417 1.00 0.00 O ATOM 1185 CB PRO A 72 -11.309 -15.767 19.799 1.00 0.00 C ATOM 1186 CG PRO A 72 -12.338 -16.456 20.645 1.00 0.00 C ATOM 1187 CD PRO A 72 -13.551 -16.581 19.763 1.00 0.00 C ATOM 0 HA PRO A 72 -11.462 -15.537 17.583 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.299 -15.998 20.138 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.420 -14.684 19.845 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.987 -17.434 20.974 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.561 -15.879 21.543 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.206 -17.391 20.084 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.149 -15.670 19.762 1.00 0.00 H new ATOM 1195 N ASP A 73 -10.843 -18.628 18.264 1.00 0.00 N ATOM 1196 CA ASP A 73 -10.001 -19.812 18.004 1.00 0.00 C ATOM 1197 C ASP A 73 -9.657 -19.974 16.502 1.00 0.00 C ATOM 1198 O ASP A 73 -8.657 -20.619 16.164 1.00 0.00 O ATOM 1199 CB ASP A 73 -10.733 -21.067 18.531 1.00 0.00 C ATOM 1200 CG ASP A 73 -11.042 -20.990 20.036 1.00 0.00 C ATOM 1201 OD1 ASP A 73 -12.048 -20.340 20.415 1.00 0.00 O ATOM 1202 OD2 ASP A 73 -10.280 -21.559 20.843 1.00 0.00 O ATOM 0 H ASP A 73 -11.736 -18.866 18.696 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.053 -19.680 18.526 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.664 -21.197 17.980 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.121 -21.948 18.335 1.00 0.00 H new ATOM 1207 N TRP A 74 -10.502 -19.384 15.621 1.00 0.00 N ATOM 1208 CA TRP A 74 -10.261 -19.335 14.159 1.00 0.00 C ATOM 1209 C TRP A 74 -8.956 -18.574 13.852 1.00 0.00 C ATOM 1210 O TRP A 74 -8.098 -19.063 13.119 1.00 0.00 O ATOM 1211 CB TRP A 74 -11.468 -18.668 13.427 1.00 0.00 C ATOM 1212 CG TRP A 74 -11.293 -18.512 11.921 1.00 0.00 C ATOM 1213 CD1 TRP A 74 -10.932 -19.486 11.028 1.00 0.00 C ATOM 1214 CD2 TRP A 74 -11.476 -17.318 11.144 1.00 0.00 C ATOM 1215 NE1 TRP A 74 -10.876 -18.967 9.760 1.00 0.00 N ATOM 1216 CE2 TRP A 74 -11.213 -17.645 9.802 1.00 0.00 C ATOM 1217 CE3 TRP A 74 -11.851 -16.006 11.456 1.00 0.00 C ATOM 1218 CZ2 TRP A 74 -11.291 -16.705 8.778 1.00 0.00 C ATOM 1219 CZ3 TRP A 74 -11.931 -15.075 10.438 1.00 0.00 C ATOM 1220 CH2 TRP A 74 -11.662 -15.432 9.111 1.00 0.00 C ATOM 0 H TRP A 74 -11.370 -18.929 15.905 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.158 -20.357 13.793 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -12.363 -19.262 13.615 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -11.641 -17.684 13.863 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -10.722 -20.514 11.285 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -10.623 -19.486 8.919 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -12.074 -15.726 12.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -11.066 -16.972 7.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -12.205 -14.056 10.669 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.749 -14.686 8.335 1.00 0.00 H new ATOM 1231 N ILE A 75 -8.818 -17.404 14.484 1.00 0.00 N ATOM 1232 CA ILE A 75 -7.720 -16.451 14.217 1.00 0.00 C ATOM 1233 C ILE A 75 -6.437 -16.993 14.855 1.00 0.00 C ATOM 1234 O ILE A 75 -5.362 -16.934 14.261 1.00 0.00 O ATOM 1235 CB ILE A 75 -8.022 -14.990 14.764 1.00 0.00 C ATOM 1236 CG1 ILE A 75 -9.356 -14.403 14.182 1.00 0.00 C ATOM 1237 CG2 ILE A 75 -6.843 -14.028 14.464 1.00 0.00 C ATOM 1238 CD1 ILE A 75 -10.623 -15.005 14.748 1.00 0.00 C ATOM 0 H ILE A 75 -9.467 -17.083 15.202 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.611 -16.360 13.136 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.141 -15.079 15.844 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.371 -13.328 14.362 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.356 -14.545 13.101 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.076 -13.035 14.849 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.938 -14.400 14.945 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.685 -13.971 13.387 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.489 -14.534 14.283 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.640 -16.076 14.544 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.655 -14.840 15.825 1.00 0.00 H new ATOM 1250 N VAL A 76 -6.607 -17.558 16.065 1.00 0.00 N ATOM 1251 CA VAL A 76 -5.528 -18.188 16.846 1.00 0.00 C ATOM 1252 C VAL A 76 -4.799 -19.259 16.011 1.00 0.00 C ATOM 1253 O VAL A 76 -3.571 -19.207 15.847 1.00 0.00 O ATOM 1254 CB VAL A 76 -6.120 -18.838 18.161 1.00 0.00 C ATOM 1255 CG1 VAL A 76 -5.059 -19.655 18.942 1.00 0.00 C ATOM 1256 CG2 VAL A 76 -6.756 -17.753 19.062 1.00 0.00 C ATOM 0 H VAL A 76 -7.512 -17.590 16.534 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.808 -17.417 17.119 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.896 -19.540 17.855 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.514 -20.081 19.836 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.680 -20.458 18.310 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.236 -19.001 19.230 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.158 -18.218 19.962 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.998 -17.020 19.339 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.560 -17.256 18.520 1.00 0.00 H new ATOM 1266 N ASP A 77 -5.592 -20.182 15.441 1.00 0.00 N ATOM 1267 CA ASP A 77 -5.064 -21.333 14.689 1.00 0.00 C ATOM 1268 C ASP A 77 -4.482 -20.869 13.337 1.00 0.00 C ATOM 1269 O ASP A 77 -3.384 -21.273 12.961 1.00 0.00 O ATOM 1270 CB ASP A 77 -6.169 -22.421 14.487 1.00 0.00 C ATOM 1271 CG ASP A 77 -5.587 -23.849 14.377 1.00 0.00 C ATOM 1272 OD1 ASP A 77 -5.193 -24.278 13.277 1.00 0.00 O ATOM 1273 OD2 ASP A 77 -5.501 -24.543 15.416 1.00 0.00 O ATOM 0 H ASP A 77 -6.610 -20.152 15.488 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.259 -21.785 15.268 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.869 -22.382 15.322 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.736 -22.194 13.584 1.00 0.00 H new ATOM 1278 N SER A 78 -5.225 -19.982 12.641 1.00 0.00 N ATOM 1279 CA SER A 78 -4.842 -19.465 11.304 1.00 0.00 C ATOM 1280 C SER A 78 -3.493 -18.718 11.319 1.00 0.00 C ATOM 1281 O SER A 78 -2.675 -18.876 10.407 1.00 0.00 O ATOM 1282 CB SER A 78 -5.965 -18.565 10.727 1.00 0.00 C ATOM 1283 OG SER A 78 -7.134 -19.321 10.411 1.00 0.00 O ATOM 0 H SER A 78 -6.106 -19.603 12.987 1.00 0.00 H new ATOM 0 HA SER A 78 -4.712 -20.330 10.654 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.217 -17.789 11.449 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.604 -18.061 9.831 1.00 0.00 H new ATOM 0 HG SER A 78 -7.703 -19.390 11.206 1.00 0.00 H new ATOM 1289 N VAL A 79 -3.269 -17.932 12.377 1.00 0.00 N ATOM 1290 CA VAL A 79 -2.038 -17.147 12.558 1.00 0.00 C ATOM 1291 C VAL A 79 -0.832 -18.070 12.832 1.00 0.00 C ATOM 1292 O VAL A 79 0.217 -17.936 12.178 1.00 0.00 O ATOM 1293 CB VAL A 79 -2.248 -16.075 13.701 1.00 0.00 C ATOM 1294 CG1 VAL A 79 -0.924 -15.514 14.278 1.00 0.00 C ATOM 1295 CG2 VAL A 79 -3.136 -14.922 13.175 1.00 0.00 C ATOM 0 H VAL A 79 -3.939 -17.820 13.138 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.815 -16.609 11.636 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.742 -16.588 14.526 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.147 -14.785 15.057 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.337 -16.329 14.701 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.355 -15.033 13.482 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.280 -14.184 13.964 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.651 -14.450 12.321 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.104 -15.319 12.869 1.00 0.00 H new ATOM 1305 N LYS A 80 -1.009 -19.023 13.766 1.00 0.00 N ATOM 1306 CA LYS A 80 0.064 -19.960 14.180 1.00 0.00 C ATOM 1307 C LYS A 80 0.498 -20.888 13.029 1.00 0.00 C ATOM 1308 O LYS A 80 1.693 -21.108 12.819 1.00 0.00 O ATOM 1309 CB LYS A 80 -0.392 -20.790 15.408 1.00 0.00 C ATOM 1310 CG LYS A 80 -0.539 -19.964 16.703 1.00 0.00 C ATOM 1311 CD LYS A 80 -1.135 -20.786 17.868 1.00 0.00 C ATOM 1312 CE LYS A 80 -1.189 -19.991 19.181 1.00 0.00 C ATOM 1313 NZ LYS A 80 -1.863 -18.673 19.018 1.00 0.00 N ATOM 0 H LYS A 80 -1.892 -19.169 14.255 1.00 0.00 H new ATOM 0 HA LYS A 80 0.933 -19.363 14.457 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.347 -21.263 15.180 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.327 -21.591 15.580 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.438 -19.579 16.997 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.176 -19.101 16.509 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.141 -21.111 17.602 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.538 -21.686 18.016 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.716 -20.575 19.935 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.175 -19.835 19.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.409 -18.454 19.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.148 -17.934 18.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.503 -18.709 18.199 1.00 0.00 H new ATOM 1327 N GLU A 81 -0.485 -21.406 12.279 1.00 0.00 N ATOM 1328 CA GLU A 81 -0.241 -22.362 11.174 1.00 0.00 C ATOM 1329 C GLU A 81 0.078 -21.633 9.851 1.00 0.00 C ATOM 1330 O GLU A 81 0.447 -22.280 8.859 1.00 0.00 O ATOM 1331 CB GLU A 81 -1.476 -23.289 10.994 1.00 0.00 C ATOM 1332 CG GLU A 81 -1.918 -24.051 12.263 1.00 0.00 C ATOM 1333 CD GLU A 81 -0.820 -24.942 12.865 1.00 0.00 C ATOM 1334 OE1 GLU A 81 -0.507 -25.998 12.266 1.00 0.00 O ATOM 1335 OE2 GLU A 81 -0.265 -24.598 13.934 1.00 0.00 O ATOM 0 H GLU A 81 -1.470 -21.179 12.415 1.00 0.00 H new ATOM 0 HA GLU A 81 0.629 -22.964 11.436 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.313 -22.687 10.641 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.254 -24.016 10.212 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.241 -23.330 13.014 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.783 -24.669 12.022 1.00 0.00 H new ATOM 1342 N ALA A 82 -0.107 -20.286 9.848 1.00 0.00 N ATOM 1343 CA ALA A 82 0.168 -19.393 8.692 1.00 0.00 C ATOM 1344 C ALA A 82 -0.734 -19.717 7.469 1.00 0.00 C ATOM 1345 O ALA A 82 -0.421 -19.331 6.338 1.00 0.00 O ATOM 1346 CB ALA A 82 1.673 -19.408 8.327 1.00 0.00 C ATOM 0 H ALA A 82 -0.457 -19.783 10.663 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.088 -18.378 8.996 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.848 -18.747 7.478 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.258 -19.065 9.181 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.974 -20.422 8.065 1.00 0.00 H new ATOM 1352 N ARG A 83 -1.893 -20.351 7.733 1.00 0.00 N ATOM 1353 CA ARG A 83 -2.866 -20.789 6.696 1.00 0.00 C ATOM 1354 C ARG A 83 -4.279 -20.294 7.056 1.00 0.00 C ATOM 1355 O ARG A 83 -4.493 -19.774 8.143 1.00 0.00 O ATOM 1356 CB ARG A 83 -2.869 -22.341 6.579 1.00 0.00 C ATOM 1357 CG ARG A 83 -3.339 -23.059 7.859 1.00 0.00 C ATOM 1358 CD ARG A 83 -3.387 -24.586 7.727 1.00 0.00 C ATOM 1359 NE ARG A 83 -4.359 -25.033 6.708 1.00 0.00 N ATOM 1360 CZ ARG A 83 -4.386 -26.258 6.155 1.00 0.00 C ATOM 1361 NH1 ARG A 83 -3.505 -27.186 6.508 1.00 0.00 N ATOM 1362 NH2 ARG A 83 -5.306 -26.553 5.252 1.00 0.00 N ATOM 0 H ARG A 83 -2.190 -20.579 8.682 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.569 -20.362 5.738 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.516 -22.633 5.751 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.863 -22.680 6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.671 -22.795 8.679 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.331 -22.695 8.126 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.396 -24.957 7.467 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.648 -25.023 8.691 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.063 -24.361 6.401 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.794 -26.974 7.208 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.539 -28.111 6.079 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.993 -25.852 4.976 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.328 -27.482 4.831 1.00 0.00 H new ATOM 1376 N LEU A 84 -5.231 -20.459 6.125 1.00 0.00 N ATOM 1377 CA LEU A 84 -6.657 -20.152 6.352 1.00 0.00 C ATOM 1378 C LEU A 84 -7.373 -21.440 6.815 1.00 0.00 C ATOM 1379 O LEU A 84 -7.481 -22.401 6.050 1.00 0.00 O ATOM 1380 CB LEU A 84 -7.269 -19.556 5.035 1.00 0.00 C ATOM 1381 CG LEU A 84 -8.749 -19.007 5.062 1.00 0.00 C ATOM 1382 CD1 LEU A 84 -9.810 -20.120 4.891 1.00 0.00 C ATOM 1383 CD2 LEU A 84 -9.021 -18.169 6.333 1.00 0.00 C ATOM 0 H LEU A 84 -5.035 -20.811 5.188 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.784 -19.404 7.135 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.621 -18.742 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.218 -20.329 4.269 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.844 -18.352 4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.807 -19.680 4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.661 -20.621 3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.711 -20.844 5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.049 -17.808 6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.867 -18.788 7.217 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.338 -17.320 6.362 1.00 0.00 H new ATOM 1395 N LEU A 85 -7.817 -21.462 8.087 1.00 0.00 N ATOM 1396 CA LEU A 85 -8.629 -22.570 8.645 1.00 0.00 C ATOM 1397 C LEU A 85 -10.114 -22.390 8.268 1.00 0.00 C ATOM 1398 O LEU A 85 -10.554 -21.266 7.995 1.00 0.00 O ATOM 1399 CB LEU A 85 -8.469 -22.668 10.207 1.00 0.00 C ATOM 1400 CG LEU A 85 -7.208 -23.425 10.736 1.00 0.00 C ATOM 1401 CD1 LEU A 85 -7.183 -24.897 10.282 1.00 0.00 C ATOM 1402 CD2 LEU A 85 -5.909 -22.709 10.350 1.00 0.00 C ATOM 0 H LEU A 85 -7.626 -20.717 8.757 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.265 -23.502 8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.453 -21.656 10.612 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.355 -23.159 10.610 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.278 -23.420 11.824 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.289 -25.383 10.673 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.069 -25.409 10.658 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.173 -24.942 9.193 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.057 -23.268 10.737 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.838 -22.644 9.264 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.907 -21.705 10.774 1.00 0.00 H new ATOM 1414 N PRO A 86 -10.908 -23.512 8.220 1.00 0.00 N ATOM 1415 CA PRO A 86 -12.375 -23.440 8.034 1.00 0.00 C ATOM 1416 C PRO A 86 -13.048 -22.624 9.157 1.00 0.00 C ATOM 1417 O PRO A 86 -13.128 -23.074 10.304 1.00 0.00 O ATOM 1418 CB PRO A 86 -12.818 -24.936 8.051 1.00 0.00 C ATOM 1419 CG PRO A 86 -11.703 -25.655 8.743 1.00 0.00 C ATOM 1420 CD PRO A 86 -10.453 -24.935 8.304 1.00 0.00 C ATOM 0 HA PRO A 86 -12.663 -22.931 7.114 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -13.761 -25.064 8.582 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.967 -25.316 7.040 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.821 -25.620 9.826 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.674 -26.707 8.460 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.641 -25.059 9.020 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.090 -25.302 7.344 1.00 0.00 H new ATOM 1428 N TRP A 87 -13.489 -21.402 8.809 1.00 0.00 N ATOM 1429 CA TRP A 87 -14.285 -20.534 9.702 1.00 0.00 C ATOM 1430 C TRP A 87 -15.576 -21.252 10.172 1.00 0.00 C ATOM 1431 O TRP A 87 -16.032 -21.052 11.298 1.00 0.00 O ATOM 1432 CB TRP A 87 -14.604 -19.181 8.992 1.00 0.00 C ATOM 1433 CG TRP A 87 -15.134 -19.307 7.569 1.00 0.00 C ATOM 1434 CD1 TRP A 87 -16.340 -19.814 7.175 1.00 0.00 C ATOM 1435 CD2 TRP A 87 -14.466 -18.915 6.362 1.00 0.00 C ATOM 1436 NE1 TRP A 87 -16.452 -19.769 5.817 1.00 0.00 N ATOM 1437 CE2 TRP A 87 -15.323 -19.223 5.291 1.00 0.00 C ATOM 1438 CE3 TRP A 87 -13.225 -18.338 6.086 1.00 0.00 C ATOM 1439 CZ2 TRP A 87 -14.985 -18.970 3.965 1.00 0.00 C ATOM 1440 CZ3 TRP A 87 -12.887 -18.083 4.770 1.00 0.00 C ATOM 1441 CH2 TRP A 87 -13.763 -18.401 3.722 1.00 0.00 C ATOM 0 H TRP A 87 -13.304 -20.985 7.897 1.00 0.00 H new ATOM 0 HA TRP A 87 -13.697 -20.317 10.594 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -15.337 -18.639 9.589 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -13.698 -18.576 8.973 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -17.097 -20.196 7.844 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -17.256 -20.094 5.280 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -12.541 -18.095 6.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -15.661 -19.213 3.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -11.932 -17.631 4.545 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -13.468 -18.193 2.704 1.00 0.00 H new ATOM 1452 N GLN A 88 -16.106 -22.122 9.283 1.00 0.00 N ATOM 1453 CA GLN A 88 -17.333 -22.917 9.509 1.00 0.00 C ATOM 1454 C GLN A 88 -17.186 -23.914 10.680 1.00 0.00 C ATOM 1455 O GLN A 88 -18.189 -24.338 11.256 1.00 0.00 O ATOM 1456 CB GLN A 88 -17.735 -23.653 8.204 1.00 0.00 C ATOM 1457 CG GLN A 88 -16.629 -24.540 7.590 1.00 0.00 C ATOM 1458 CD GLN A 88 -17.098 -25.341 6.370 1.00 0.00 C ATOM 1459 OE1 GLN A 88 -18.262 -25.735 6.287 1.00 0.00 O ATOM 1460 NE2 GLN A 88 -16.202 -25.590 5.425 1.00 0.00 N ATOM 0 H GLN A 88 -15.684 -22.294 8.370 1.00 0.00 H new ATOM 0 HA GLN A 88 -18.125 -22.223 9.790 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -18.607 -24.274 8.408 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -18.038 -22.912 7.465 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.788 -23.910 7.300 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -16.264 -25.231 8.350 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -15.246 -25.249 5.526 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.469 -26.123 4.597 1.00 0.00 H new ATOM 1469 N ASN A 89 -15.934 -24.290 11.010 1.00 0.00 N ATOM 1470 CA ASN A 89 -15.632 -25.152 12.177 1.00 0.00 C ATOM 1471 C ASN A 89 -15.920 -24.392 13.490 1.00 0.00 C ATOM 1472 O ASN A 89 -16.432 -24.959 14.462 1.00 0.00 O ATOM 1473 CB ASN A 89 -14.141 -25.603 12.123 1.00 0.00 C ATOM 1474 CG ASN A 89 -13.703 -26.514 13.282 1.00 0.00 C ATOM 1475 OD1 ASN A 89 -14.494 -27.295 13.817 1.00 0.00 O ATOM 1476 ND2 ASN A 89 -12.433 -26.418 13.673 1.00 0.00 N ATOM 0 H ASN A 89 -15.108 -24.009 10.482 1.00 0.00 H new ATOM 0 HA ASN A 89 -16.270 -26.035 12.145 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -13.968 -26.126 11.182 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -13.507 -24.716 12.116 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.089 -27.001 14.436 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.805 -25.762 13.209 1.00 0.00 H new ATOM 1483 N TYR A 90 -15.613 -23.090 13.474 1.00 0.00 N ATOM 1484 CA TYR A 90 -15.674 -22.214 14.663 1.00 0.00 C ATOM 1485 C TYR A 90 -16.968 -21.375 14.686 1.00 0.00 C ATOM 1486 O TYR A 90 -17.196 -20.621 15.635 1.00 0.00 O ATOM 1487 CB TYR A 90 -14.426 -21.285 14.662 1.00 0.00 C ATOM 1488 CG TYR A 90 -13.094 -22.043 14.537 1.00 0.00 C ATOM 1489 CD1 TYR A 90 -12.473 -22.603 15.653 1.00 0.00 C ATOM 1490 CD2 TYR A 90 -12.471 -22.216 13.296 1.00 0.00 C ATOM 1491 CE1 TYR A 90 -11.283 -23.296 15.541 1.00 0.00 C ATOM 1492 CE2 TYR A 90 -11.278 -22.907 13.181 1.00 0.00 C ATOM 1493 CZ TYR A 90 -10.690 -23.447 14.307 1.00 0.00 C ATOM 1494 OH TYR A 90 -9.503 -24.141 14.200 1.00 0.00 O ATOM 0 H TYR A 90 -15.311 -22.604 12.629 1.00 0.00 H new ATOM 0 HA TYR A 90 -15.679 -22.836 15.558 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.511 -20.578 13.837 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -14.417 -20.701 15.583 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -12.932 -22.493 16.625 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.930 -21.802 12.411 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.818 -23.719 16.420 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.809 -23.023 12.215 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.217 -24.158 13.263 1.00 0.00 H new ATOM 1504 N SER A 91 -17.802 -21.515 13.634 1.00 0.00 N ATOM 1505 CA SER A 91 -19.003 -20.685 13.443 1.00 0.00 C ATOM 1506 C SER A 91 -20.060 -20.899 14.546 1.00 0.00 C ATOM 1507 O SER A 91 -20.449 -22.033 14.842 1.00 0.00 O ATOM 1508 CB SER A 91 -19.625 -20.936 12.053 1.00 0.00 C ATOM 1509 OG SER A 91 -18.758 -20.504 11.016 1.00 0.00 O ATOM 0 H SER A 91 -17.660 -22.205 12.897 1.00 0.00 H new ATOM 0 HA SER A 91 -18.676 -19.647 13.510 1.00 0.00 H new ATOM 0 HB2 SER A 91 -19.838 -21.998 11.934 1.00 0.00 H new ATOM 0 HB3 SER A 91 -20.577 -20.410 11.977 1.00 0.00 H new ATOM 0 HG SER A 91 -17.830 -20.697 11.264 1.00 0.00 H new ATOM 1515 N LEU A 92 -20.509 -19.782 15.148 1.00 0.00 N ATOM 1516 CA LEU A 92 -21.615 -19.775 16.123 1.00 0.00 C ATOM 1517 C LEU A 92 -22.981 -19.678 15.400 1.00 0.00 C ATOM 1518 O LEU A 92 -24.031 -19.654 16.051 1.00 0.00 O ATOM 1519 CB LEU A 92 -21.436 -18.603 17.131 1.00 0.00 C ATOM 1520 CG LEU A 92 -20.059 -18.539 17.879 1.00 0.00 C ATOM 1521 CD1 LEU A 92 -20.051 -17.412 18.937 1.00 0.00 C ATOM 1522 CD2 LEU A 92 -19.684 -19.908 18.502 1.00 0.00 C ATOM 0 H LEU A 92 -20.115 -18.858 14.972 1.00 0.00 H new ATOM 0 HA LEU A 92 -21.595 -20.713 16.678 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -21.579 -17.665 16.595 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -22.228 -18.668 17.877 1.00 0.00 H new ATOM 0 HG LEU A 92 -19.294 -18.303 17.140 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -19.084 -17.392 19.439 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -20.227 -16.453 18.449 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -20.837 -17.595 19.670 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.724 -19.825 19.012 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -20.451 -20.204 19.218 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.613 -20.659 17.715 1.00 0.00 H new ATOM 1534 N THR A 93 -22.939 -19.616 14.048 1.00 0.00 N ATOM 1535 CA THR A 93 -24.134 -19.624 13.175 1.00 0.00 C ATOM 1536 C THR A 93 -24.985 -20.894 13.427 1.00 0.00 C ATOM 1537 O THR A 93 -26.220 -20.829 13.529 1.00 0.00 O ATOM 1538 CB THR A 93 -23.704 -19.565 11.664 1.00 0.00 C ATOM 1539 OG1 THR A 93 -22.842 -20.676 11.360 1.00 0.00 O ATOM 1540 CG2 THR A 93 -22.967 -18.255 11.303 1.00 0.00 C ATOM 0 H THR A 93 -22.063 -19.558 13.528 1.00 0.00 H new ATOM 0 HA THR A 93 -24.735 -18.746 13.411 1.00 0.00 H new ATOM 0 HB THR A 93 -24.620 -19.608 11.075 1.00 0.00 H new ATOM 0 HG1 THR A 93 -22.578 -20.637 10.417 1.00 0.00 H new ATOM 0 HG21 THR A 93 -22.694 -18.270 10.248 1.00 0.00 H new ATOM 0 HG22 THR A 93 -23.621 -17.405 11.497 1.00 0.00 H new ATOM 0 HG23 THR A 93 -22.066 -18.166 11.910 1.00 0.00 H new ATOM 1548 N SER A 94 -24.278 -22.028 13.549 1.00 0.00 N ATOM 1549 CA SER A 94 -24.866 -23.346 13.793 1.00 0.00 C ATOM 1550 C SER A 94 -25.161 -23.535 15.311 1.00 0.00 C ATOM 1551 O SER A 94 -24.211 -23.768 16.084 1.00 0.00 O ATOM 1552 CB SER A 94 -23.899 -24.435 13.244 1.00 0.00 C ATOM 1553 OG SER A 94 -22.565 -24.227 13.689 1.00 0.00 O ATOM 1554 OXT SER A 94 -26.341 -23.430 15.725 1.00 0.00 O ATOM 0 H SER A 94 -23.261 -22.050 13.479 1.00 0.00 H new ATOM 0 HA SER A 94 -25.819 -23.437 13.273 1.00 0.00 H new ATOM 0 HB2 SER A 94 -24.240 -25.419 13.565 1.00 0.00 H new ATOM 0 HB3 SER A 94 -23.924 -24.428 12.154 1.00 0.00 H new ATOM 0 HG SER A 94 -22.569 -24.010 14.645 1.00 0.00 H new