USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 652 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 49 ASN : amide:sc= -1.55 K(o=-2.4,f=-7.5!) USER MOD Set 1.2: A 50 SER OG : rot -174:sc= -0.811 USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= -1.14 USER MOD Set 2.2: A 40 TYR OH : rot -40:sc= 0.169! USER MOD Single : A 7 SER OG : rot -31:sc= 0.0222 USER MOD Single : A 13 THR OG1 : rot -95:sc= 0.988 USER MOD Single : A 14 MET CE :methyl -173:sc= -0.288 (180deg=-0.539) USER MOD Single : A 18 GLN : amide:sc= -1.48 K(o=-1.5,f=-3.8!) USER MOD Single : A 19 SER OG : rot -2:sc= -2.97! USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 24:sc= 0.334 USER MOD Single : A 27 SER OG : rot 130:sc= 0.822 USER MOD Single : A 30 CYS SG : rot 62:sc= 1.04 USER MOD Single : A 34 SER OG : rot -43:sc= 0.89 USER MOD Single : A 35 ASN : amide:sc= -0.0148 X(o=-0.015,f=-0.023) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -177:sc= 1.12 (180deg=1.11) USER MOD Single : A 48 GLN : amide:sc= -1.86 K(o=-1.9,f=-9.3!) USER MOD Single : A 53 HIS : no HD1:sc= -0.525 K(o=-0.53,f=-1.8) USER MOD Single : A 54 ASN : amide:sc= -3.45! C(o=-3.4!,f=-5.3!) USER MOD Single : A 56 SER OG : rot -79:sc= -0.0423 USER MOD Single : A 58 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.86) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -129:sc= 0.354 (180deg=-0.436) USER MOD Single : A 70 ASN :FLIP amide:sc= -1.08 F(o=-2!,f=-1.1) USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.056) USER MOD Single : A 75 ASN : amide:sc= -2.72! C(o=-2.7!,f=-8.6!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc=-0.00102 K(o=-0.001,f=-3.7!) USER MOD Single : A 83 SER OG : rot 180:sc= -0.234 USER MOD Single : A 86 MET CE :methyl -120:sc= -0.155 (180deg=-1.36) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 13.639 -4.515 0.275 1.00 0.00 N ATOM 89 CA SER A 7 14.777 -5.400 0.453 1.00 0.00 C ATOM 90 C SER A 7 14.787 -5.959 1.877 1.00 0.00 C ATOM 91 O SER A 7 15.281 -5.312 2.799 1.00 0.00 O ATOM 92 CB SER A 7 16.091 -4.674 0.159 1.00 0.00 C ATOM 93 OG SER A 7 16.257 -3.519 0.976 1.00 0.00 O ATOM 0 HA SER A 7 14.683 -6.224 -0.254 1.00 0.00 H new ATOM 0 HB2 SER A 7 16.926 -5.356 0.321 1.00 0.00 H new ATOM 0 HB3 SER A 7 16.117 -4.382 -0.891 1.00 0.00 H new ATOM 0 HG SER A 7 15.379 -3.138 1.186 1.00 0.00 H new ATOM 99 N TYR A 8 14.236 -7.157 2.013 1.00 0.00 N ATOM 100 CA TYR A 8 14.175 -7.810 3.309 1.00 0.00 C ATOM 101 C TYR A 8 15.551 -7.831 3.978 1.00 0.00 C ATOM 102 O TYR A 8 15.649 -7.855 5.203 1.00 0.00 O ATOM 103 CB TYR A 8 13.731 -9.249 3.036 1.00 0.00 C ATOM 104 CG TYR A 8 12.346 -9.362 2.397 1.00 0.00 C ATOM 105 CD1 TYR A 8 11.247 -8.820 3.031 1.00 0.00 C ATOM 106 CD2 TYR A 8 12.196 -10.007 1.186 1.00 0.00 C ATOM 107 CE1 TYR A 8 9.943 -8.927 2.429 1.00 0.00 C ATOM 108 CE2 TYR A 8 10.892 -10.114 0.584 1.00 0.00 C ATOM 109 CZ TYR A 8 9.830 -9.568 1.235 1.00 0.00 C ATOM 110 OH TYR A 8 8.598 -9.669 0.667 1.00 0.00 O ATOM 0 H TYR A 8 13.828 -7.692 1.246 1.00 0.00 H new ATOM 0 HA TYR A 8 13.492 -7.281 3.973 1.00 0.00 H new ATOM 0 HB2 TYR A 8 14.461 -9.726 2.382 1.00 0.00 H new ATOM 0 HB3 TYR A 8 13.733 -9.803 3.975 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.365 -8.316 3.979 1.00 0.00 H new ATOM 0 HD2 TYR A 8 13.056 -10.431 0.690 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.074 -8.508 2.915 1.00 0.00 H new ATOM 0 HE2 TYR A 8 10.760 -10.616 -0.363 1.00 0.00 H new ATOM 0 HH TYR A 8 8.668 -10.151 -0.184 1.00 0.00 H new ATOM 120 N ILE A 9 16.579 -7.822 3.142 1.00 0.00 N ATOM 121 CA ILE A 9 17.945 -7.840 3.637 1.00 0.00 C ATOM 122 C ILE A 9 18.192 -6.592 4.487 1.00 0.00 C ATOM 123 O ILE A 9 18.902 -6.650 5.490 1.00 0.00 O ATOM 124 CB ILE A 9 18.932 -7.999 2.479 1.00 0.00 C ATOM 125 CG1 ILE A 9 18.828 -6.825 1.504 1.00 0.00 C ATOM 126 CG2 ILE A 9 18.742 -9.346 1.777 1.00 0.00 C ATOM 127 CD1 ILE A 9 20.162 -6.581 0.794 1.00 0.00 C ATOM 0 H ILE A 9 16.493 -7.802 2.126 1.00 0.00 H new ATOM 0 HA ILE A 9 18.104 -8.703 4.283 1.00 0.00 H new ATOM 0 HB ILE A 9 19.942 -7.989 2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 9 18.051 -7.028 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 9 18.529 -5.926 2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 9 19.456 -9.433 0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 9 18.907 -10.154 2.490 1.00 0.00 H new ATOM 0 HG23 ILE A 9 17.728 -9.411 1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 9 20.060 -5.741 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 9 20.931 -6.354 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 9 20.446 -7.474 0.237 1.00 0.00 H new ATOM 139 N ALA A 10 17.591 -5.493 4.056 1.00 0.00 N ATOM 140 CA ALA A 10 17.736 -4.233 4.765 1.00 0.00 C ATOM 141 C ALA A 10 16.985 -4.312 6.095 1.00 0.00 C ATOM 142 O ALA A 10 17.599 -4.293 7.161 1.00 0.00 O ATOM 143 CB ALA A 10 17.237 -3.088 3.881 1.00 0.00 C ATOM 0 H ALA A 10 17.002 -5.449 3.224 1.00 0.00 H new ATOM 0 HA ALA A 10 18.785 -4.038 4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 10 17.346 -2.143 4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 10 17.822 -3.056 2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.187 -3.248 3.637 1.00 0.00 H new ATOM 149 N LEU A 11 15.667 -4.399 5.990 1.00 0.00 N ATOM 150 CA LEU A 11 14.826 -4.481 7.172 1.00 0.00 C ATOM 151 C LEU A 11 15.391 -5.538 8.123 1.00 0.00 C ATOM 152 O LEU A 11 15.306 -5.391 9.341 1.00 0.00 O ATOM 153 CB LEU A 11 13.368 -4.727 6.776 1.00 0.00 C ATOM 154 CG LEU A 11 13.138 -5.763 5.674 1.00 0.00 C ATOM 155 CD1 LEU A 11 12.640 -7.085 6.260 1.00 0.00 C ATOM 156 CD2 LEU A 11 12.194 -5.220 4.599 1.00 0.00 C ATOM 0 H LEU A 11 15.161 -4.414 5.105 1.00 0.00 H new ATOM 0 HA LEU A 11 14.831 -3.533 7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.819 -5.042 7.664 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.935 -3.780 6.453 1.00 0.00 H new ATOM 0 HG LEU A 11 14.094 -5.965 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.484 -7.804 5.456 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.381 -7.476 6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.699 -6.919 6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.047 -5.976 3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.234 -4.971 5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.628 -4.325 4.152 1.00 0.00 H new ATOM 168 N ILE A 12 15.956 -6.579 7.530 1.00 0.00 N ATOM 169 CA ILE A 12 16.536 -7.660 8.310 1.00 0.00 C ATOM 170 C ILE A 12 17.803 -7.159 9.005 1.00 0.00 C ATOM 171 O ILE A 12 17.941 -7.289 10.221 1.00 0.00 O ATOM 172 CB ILE A 12 16.762 -8.892 7.431 1.00 0.00 C ATOM 173 CG1 ILE A 12 15.459 -9.668 7.228 1.00 0.00 C ATOM 174 CG2 ILE A 12 17.873 -9.776 8.003 1.00 0.00 C ATOM 175 CD1 ILE A 12 14.788 -9.972 8.569 1.00 0.00 C ATOM 0 H ILE A 12 16.025 -6.697 6.519 1.00 0.00 H new ATOM 0 HA ILE A 12 15.848 -7.977 9.093 1.00 0.00 H new ATOM 0 HB ILE A 12 17.092 -8.555 6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 12 14.781 -9.089 6.601 1.00 0.00 H new ATOM 0 HG13 ILE A 12 15.665 -10.599 6.701 1.00 0.00 H new ATOM 0 HG21 ILE A 12 18.014 -10.645 7.360 1.00 0.00 H new ATOM 0 HG22 ILE A 12 18.801 -9.207 8.053 1.00 0.00 H new ATOM 0 HG23 ILE A 12 17.596 -10.107 9.004 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.864 -10.524 8.397 1.00 0.00 H new ATOM 0 HD12 ILE A 12 15.459 -10.571 9.184 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.562 -9.038 9.083 1.00 0.00 H new ATOM 187 N THR A 13 18.696 -6.597 8.204 1.00 0.00 N ATOM 188 CA THR A 13 19.948 -6.076 8.728 1.00 0.00 C ATOM 189 C THR A 13 19.712 -5.358 10.057 1.00 0.00 C ATOM 190 O THR A 13 20.492 -5.509 10.996 1.00 0.00 O ATOM 191 CB THR A 13 20.572 -5.181 7.656 1.00 0.00 C ATOM 192 OG1 THR A 13 21.116 -6.098 6.710 1.00 0.00 O ATOM 193 CG2 THR A 13 21.790 -4.412 8.172 1.00 0.00 C ATOM 0 H THR A 13 18.578 -6.491 7.196 1.00 0.00 H new ATOM 0 HA THR A 13 20.650 -6.880 8.950 1.00 0.00 H new ATOM 0 HB THR A 13 19.824 -4.476 7.292 1.00 0.00 H new ATOM 0 HG1 THR A 13 22.062 -6.254 6.912 1.00 0.00 H new ATOM 0 HG21 THR A 13 22.195 -3.792 7.372 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.493 -3.778 9.007 1.00 0.00 H new ATOM 0 HG23 THR A 13 22.551 -5.117 8.505 1.00 0.00 H new ATOM 201 N MET A 14 18.632 -4.591 10.096 1.00 0.00 N ATOM 202 CA MET A 14 18.283 -3.849 11.295 1.00 0.00 C ATOM 203 C MET A 14 17.582 -4.750 12.314 1.00 0.00 C ATOM 204 O MET A 14 17.781 -4.603 13.518 1.00 0.00 O ATOM 205 CB MET A 14 17.362 -2.684 10.925 1.00 0.00 C ATOM 206 CG MET A 14 17.481 -1.547 11.942 1.00 0.00 C ATOM 207 SD MET A 14 16.382 -1.841 13.318 1.00 0.00 S ATOM 208 CE MET A 14 14.899 -1.061 12.702 1.00 0.00 C ATOM 0 H MET A 14 17.987 -4.468 9.316 1.00 0.00 H new ATOM 0 HA MET A 14 19.201 -3.470 11.744 1.00 0.00 H new ATOM 0 HB2 MET A 14 17.617 -2.316 9.931 1.00 0.00 H new ATOM 0 HB3 MET A 14 16.330 -3.031 10.882 1.00 0.00 H new ATOM 0 HG2 MET A 14 18.509 -1.471 12.297 1.00 0.00 H new ATOM 0 HG3 MET A 14 17.237 -0.597 11.468 1.00 0.00 H new ATOM 0 HE1 MET A 14 14.144 -1.043 13.488 1.00 0.00 H new ATOM 0 HE2 MET A 14 15.126 -0.041 12.393 1.00 0.00 H new ATOM 0 HE3 MET A 14 14.520 -1.623 11.848 1.00 0.00 H new ATOM 218 N ALA A 15 16.777 -5.664 11.792 1.00 0.00 N ATOM 219 CA ALA A 15 16.046 -6.589 12.641 1.00 0.00 C ATOM 220 C ALA A 15 17.039 -7.429 13.446 1.00 0.00 C ATOM 221 O ALA A 15 16.729 -7.874 14.550 1.00 0.00 O ATOM 222 CB ALA A 15 15.119 -7.449 11.779 1.00 0.00 C ATOM 0 H ALA A 15 16.615 -5.784 10.792 1.00 0.00 H new ATOM 0 HA ALA A 15 15.421 -6.047 13.351 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.570 -8.143 12.416 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.414 -6.807 11.250 1.00 0.00 H new ATOM 0 HB3 ALA A 15 15.711 -8.010 11.056 1.00 0.00 H new ATOM 228 N ILE A 16 18.213 -7.620 12.863 1.00 0.00 N ATOM 229 CA ILE A 16 19.253 -8.399 13.513 1.00 0.00 C ATOM 230 C ILE A 16 20.048 -7.494 14.456 1.00 0.00 C ATOM 231 O ILE A 16 20.253 -7.832 15.621 1.00 0.00 O ATOM 232 CB ILE A 16 20.118 -9.112 12.471 1.00 0.00 C ATOM 233 CG1 ILE A 16 19.560 -10.500 12.153 1.00 0.00 C ATOM 234 CG2 ILE A 16 21.580 -9.170 12.920 1.00 0.00 C ATOM 235 CD1 ILE A 16 18.206 -10.399 11.449 1.00 0.00 C ATOM 0 H ILE A 16 18.467 -7.249 11.948 1.00 0.00 H new ATOM 0 HA ILE A 16 18.813 -9.188 14.123 1.00 0.00 H new ATOM 0 HB ILE A 16 20.088 -8.534 11.547 1.00 0.00 H new ATOM 0 HG12 ILE A 16 20.263 -11.042 11.521 1.00 0.00 H new ATOM 0 HG13 ILE A 16 19.453 -11.073 13.074 1.00 0.00 H new ATOM 0 HG21 ILE A 16 22.173 -9.681 12.162 1.00 0.00 H new ATOM 0 HG22 ILE A 16 21.959 -8.157 13.055 1.00 0.00 H new ATOM 0 HG23 ILE A 16 21.650 -9.713 13.863 1.00 0.00 H new ATOM 0 HD11 ILE A 16 17.832 -11.400 11.234 1.00 0.00 H new ATOM 0 HD12 ILE A 16 17.499 -9.878 12.094 1.00 0.00 H new ATOM 0 HD13 ILE A 16 18.321 -9.847 10.516 1.00 0.00 H new ATOM 247 N LEU A 17 20.474 -6.360 13.918 1.00 0.00 N ATOM 248 CA LEU A 17 21.241 -5.404 14.697 1.00 0.00 C ATOM 249 C LEU A 17 20.417 -4.960 15.908 1.00 0.00 C ATOM 250 O LEU A 17 20.953 -4.800 17.003 1.00 0.00 O ATOM 251 CB LEU A 17 21.708 -4.245 13.814 1.00 0.00 C ATOM 252 CG LEU A 17 23.147 -4.330 13.301 1.00 0.00 C ATOM 253 CD1 LEU A 17 23.413 -5.683 12.637 1.00 0.00 C ATOM 254 CD2 LEU A 17 23.467 -3.161 12.368 1.00 0.00 C ATOM 0 H LEU A 17 20.302 -6.082 12.952 1.00 0.00 H new ATOM 0 HA LEU A 17 22.149 -5.868 15.081 1.00 0.00 H new ATOM 0 HB2 LEU A 17 21.041 -4.177 12.955 1.00 0.00 H new ATOM 0 HB3 LEU A 17 21.598 -3.318 14.377 1.00 0.00 H new ATOM 0 HG LEU A 17 23.819 -4.253 14.155 1.00 0.00 H new ATOM 0 HD11 LEU A 17 24.443 -5.717 12.281 1.00 0.00 H new ATOM 0 HD12 LEU A 17 23.252 -6.482 13.361 1.00 0.00 H new ATOM 0 HD13 LEU A 17 22.734 -5.815 11.795 1.00 0.00 H new ATOM 0 HD21 LEU A 17 24.496 -3.246 12.018 1.00 0.00 H new ATOM 0 HD22 LEU A 17 22.790 -3.181 11.514 1.00 0.00 H new ATOM 0 HD23 LEU A 17 23.343 -2.221 12.906 1.00 0.00 H new ATOM 266 N GLN A 18 19.127 -4.775 15.669 1.00 0.00 N ATOM 267 CA GLN A 18 18.223 -4.354 16.726 1.00 0.00 C ATOM 268 C GLN A 18 18.302 -5.321 17.909 1.00 0.00 C ATOM 269 O GLN A 18 18.023 -4.942 19.045 1.00 0.00 O ATOM 270 CB GLN A 18 16.789 -4.237 16.208 1.00 0.00 C ATOM 271 CG GLN A 18 16.132 -5.615 16.099 1.00 0.00 C ATOM 272 CD GLN A 18 15.373 -5.963 17.381 1.00 0.00 C ATOM 273 OE1 GLN A 18 15.471 -5.289 18.394 1.00 0.00 O ATOM 274 NE2 GLN A 18 14.614 -7.050 17.282 1.00 0.00 N ATOM 0 H GLN A 18 18.686 -4.909 14.759 1.00 0.00 H new ATOM 0 HA GLN A 18 18.532 -3.366 17.068 1.00 0.00 H new ATOM 0 HB2 GLN A 18 16.207 -3.604 16.878 1.00 0.00 H new ATOM 0 HB3 GLN A 18 16.789 -3.752 15.232 1.00 0.00 H new ATOM 0 HG2 GLN A 18 15.447 -5.629 15.251 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.893 -6.371 15.906 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.577 -7.568 16.404 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.068 -7.366 18.084 1.00 0.00 H new ATOM 283 N SER A 19 18.683 -6.552 17.601 1.00 0.00 N ATOM 284 CA SER A 19 18.802 -7.577 18.624 1.00 0.00 C ATOM 285 C SER A 19 20.234 -8.113 18.664 1.00 0.00 C ATOM 286 O SER A 19 20.495 -9.231 18.222 1.00 0.00 O ATOM 287 CB SER A 19 17.814 -8.719 18.377 1.00 0.00 C ATOM 288 OG SER A 19 18.008 -9.326 17.102 1.00 0.00 O ATOM 0 H SER A 19 18.913 -6.863 16.657 1.00 0.00 H new ATOM 0 HA SER A 19 18.562 -7.128 19.588 1.00 0.00 H new ATOM 0 HB2 SER A 19 17.927 -9.471 19.158 1.00 0.00 H new ATOM 0 HB3 SER A 19 16.795 -8.338 18.446 1.00 0.00 H new ATOM 0 HG SER A 19 18.721 -8.856 16.621 1.00 0.00 H new ATOM 294 N PRO A 20 21.149 -7.269 19.212 1.00 0.00 N ATOM 295 CA PRO A 20 22.548 -7.646 19.316 1.00 0.00 C ATOM 296 C PRO A 20 22.760 -8.662 20.440 1.00 0.00 C ATOM 297 O PRO A 20 23.867 -9.167 20.625 1.00 0.00 O ATOM 298 CB PRO A 20 23.292 -6.341 19.546 1.00 0.00 C ATOM 299 CG PRO A 20 22.248 -5.346 20.026 1.00 0.00 C ATOM 300 CD PRO A 20 20.876 -5.938 19.746 1.00 0.00 C ATOM 0 HA PRO A 20 22.916 -8.146 18.420 1.00 0.00 H new ATOM 0 HB2 PRO A 20 24.082 -6.467 20.287 1.00 0.00 H new ATOM 0 HB3 PRO A 20 23.768 -5.996 18.628 1.00 0.00 H new ATOM 0 HG2 PRO A 20 22.369 -5.150 21.091 1.00 0.00 H new ATOM 0 HG3 PRO A 20 22.365 -4.392 19.511 1.00 0.00 H new ATOM 0 HD2 PRO A 20 20.275 -5.991 20.654 1.00 0.00 H new ATOM 0 HD3 PRO A 20 20.321 -5.331 19.031 1.00 0.00 H new ATOM 308 N GLN A 21 21.683 -8.931 21.162 1.00 0.00 N ATOM 309 CA GLN A 21 21.737 -9.878 22.263 1.00 0.00 C ATOM 310 C GLN A 21 21.940 -11.298 21.733 1.00 0.00 C ATOM 311 O GLN A 21 22.170 -12.227 22.506 1.00 0.00 O ATOM 312 CB GLN A 21 20.476 -9.789 23.125 1.00 0.00 C ATOM 313 CG GLN A 21 19.249 -10.278 22.354 1.00 0.00 C ATOM 314 CD GLN A 21 17.956 -9.862 23.059 1.00 0.00 C ATOM 315 OE1 GLN A 21 17.864 -9.832 24.275 1.00 0.00 O ATOM 316 NE2 GLN A 21 16.966 -9.545 22.229 1.00 0.00 N ATOM 0 H GLN A 21 20.767 -8.510 21.006 1.00 0.00 H new ATOM 0 HA GLN A 21 22.588 -9.623 22.895 1.00 0.00 H new ATOM 0 HB2 GLN A 21 20.605 -10.387 24.027 1.00 0.00 H new ATOM 0 HB3 GLN A 21 20.322 -8.758 23.445 1.00 0.00 H new ATOM 0 HG2 GLN A 21 19.264 -9.870 21.343 1.00 0.00 H new ATOM 0 HG3 GLN A 21 19.283 -11.363 22.260 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.111 -9.592 21.220 1.00 0.00 H new ATOM 0 HE22 GLN A 21 16.062 -9.255 22.601 1.00 0.00 H new ATOM 325 N LYS A 22 21.846 -11.423 20.417 1.00 0.00 N ATOM 326 CA LYS A 22 22.017 -12.715 19.774 1.00 0.00 C ATOM 327 C LYS A 22 20.815 -13.604 20.099 1.00 0.00 C ATOM 328 O LYS A 22 20.975 -14.697 20.641 1.00 0.00 O ATOM 329 CB LYS A 22 23.361 -13.334 20.162 1.00 0.00 C ATOM 330 CG LYS A 22 24.511 -12.360 19.891 1.00 0.00 C ATOM 331 CD LYS A 22 25.610 -12.503 20.945 1.00 0.00 C ATOM 332 CE LYS A 22 25.320 -11.622 22.162 1.00 0.00 C ATOM 333 NZ LYS A 22 26.463 -11.644 23.102 1.00 0.00 N ATOM 0 H LYS A 22 21.654 -10.651 19.779 1.00 0.00 H new ATOM 0 HA LYS A 22 22.046 -12.600 18.691 1.00 0.00 H new ATOM 0 HB2 LYS A 22 23.350 -13.605 21.218 1.00 0.00 H new ATOM 0 HB3 LYS A 22 23.518 -14.254 19.599 1.00 0.00 H new ATOM 0 HG2 LYS A 22 24.925 -12.548 18.900 1.00 0.00 H new ATOM 0 HG3 LYS A 22 24.134 -11.337 19.890 1.00 0.00 H new ATOM 0 HD2 LYS A 22 25.687 -13.545 21.256 1.00 0.00 H new ATOM 0 HD3 LYS A 22 26.572 -12.227 20.513 1.00 0.00 H new ATOM 0 HE2 LYS A 22 25.126 -10.599 21.840 1.00 0.00 H new ATOM 0 HE3 LYS A 22 24.420 -11.973 22.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 26.250 -11.041 23.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 26.630 -12.619 23.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 27.314 -11.287 22.622 1.00 0.00 H new ATOM 347 N LYS A 23 19.638 -13.103 19.755 1.00 0.00 N ATOM 348 CA LYS A 23 18.409 -13.838 20.003 1.00 0.00 C ATOM 349 C LYS A 23 17.220 -13.021 19.496 1.00 0.00 C ATOM 350 O LYS A 23 16.912 -11.961 20.040 1.00 0.00 O ATOM 351 CB LYS A 23 18.305 -14.223 21.480 1.00 0.00 C ATOM 352 CG LYS A 23 17.728 -15.631 21.640 1.00 0.00 C ATOM 353 CD LYS A 23 18.493 -16.420 22.705 1.00 0.00 C ATOM 354 CE LYS A 23 18.872 -17.810 22.190 1.00 0.00 C ATOM 355 NZ LYS A 23 17.941 -18.831 22.721 1.00 0.00 N ATOM 0 H LYS A 23 19.509 -12.196 19.306 1.00 0.00 H new ATOM 0 HA LYS A 23 18.409 -14.778 19.451 1.00 0.00 H new ATOM 0 HB2 LYS A 23 19.291 -14.175 21.942 1.00 0.00 H new ATOM 0 HB3 LYS A 23 17.673 -13.505 22.003 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.675 -15.567 21.916 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.776 -16.158 20.687 1.00 0.00 H new ATOM 0 HD2 LYS A 23 19.393 -15.876 22.989 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.881 -16.515 23.602 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.848 -17.819 21.100 1.00 0.00 H new ATOM 0 HE3 LYS A 23 19.893 -18.049 22.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.212 -19.769 22.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.984 -18.833 23.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.972 -18.610 22.415 1.00 0.00 H new ATOM 369 N LEU A 24 16.583 -13.544 18.458 1.00 0.00 N ATOM 370 CA LEU A 24 15.433 -12.876 17.871 1.00 0.00 C ATOM 371 C LEU A 24 14.485 -13.924 17.285 1.00 0.00 C ATOM 372 O LEU A 24 14.890 -15.055 17.022 1.00 0.00 O ATOM 373 CB LEU A 24 15.886 -11.821 16.860 1.00 0.00 C ATOM 374 CG LEU A 24 16.734 -12.331 15.693 1.00 0.00 C ATOM 375 CD1 LEU A 24 16.228 -11.770 14.362 1.00 0.00 C ATOM 376 CD2 LEU A 24 18.216 -12.026 15.917 1.00 0.00 C ATOM 0 H LEU A 24 16.841 -14.422 18.008 1.00 0.00 H new ATOM 0 HA LEU A 24 14.875 -12.333 18.634 1.00 0.00 H new ATOM 0 HB2 LEU A 24 15.001 -11.332 16.453 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.456 -11.058 17.391 1.00 0.00 H new ATOM 0 HG LEU A 24 16.633 -13.415 15.645 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.848 -12.148 13.549 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.195 -12.081 14.205 1.00 0.00 H new ATOM 0 HD13 LEU A 24 16.280 -10.681 14.383 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.796 -12.399 15.073 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.356 -10.949 16.006 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.553 -12.512 16.832 1.00 0.00 H new ATOM 388 N THR A 25 13.241 -13.510 17.096 1.00 0.00 N ATOM 389 CA THR A 25 12.231 -14.398 16.546 1.00 0.00 C ATOM 390 C THR A 25 11.704 -13.848 15.219 1.00 0.00 C ATOM 391 O THR A 25 11.279 -12.696 15.145 1.00 0.00 O ATOM 392 CB THR A 25 11.141 -14.587 17.602 1.00 0.00 C ATOM 393 OG1 THR A 25 10.645 -13.271 17.828 1.00 0.00 O ATOM 394 CG2 THR A 25 11.707 -15.010 18.959 1.00 0.00 C ATOM 0 H THR A 25 12.909 -12.570 17.314 1.00 0.00 H new ATOM 0 HA THR A 25 12.649 -15.377 16.313 1.00 0.00 H new ATOM 0 HB THR A 25 10.428 -15.336 17.257 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.829 -12.713 17.044 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.891 -15.130 19.672 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.238 -15.956 18.853 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.395 -14.246 19.320 1.00 0.00 H new ATOM 402 N LEU A 26 11.749 -14.698 14.203 1.00 0.00 N ATOM 403 CA LEU A 26 11.280 -14.312 12.883 1.00 0.00 C ATOM 404 C LEU A 26 9.878 -13.711 13.000 1.00 0.00 C ATOM 405 O LEU A 26 9.633 -12.603 12.525 1.00 0.00 O ATOM 406 CB LEU A 26 11.364 -15.496 11.918 1.00 0.00 C ATOM 407 CG LEU A 26 10.740 -15.281 10.537 1.00 0.00 C ATOM 408 CD1 LEU A 26 9.214 -15.355 10.607 1.00 0.00 C ATOM 409 CD2 LEU A 26 11.222 -13.968 9.917 1.00 0.00 C ATOM 0 H LEU A 26 12.103 -15.652 14.268 1.00 0.00 H new ATOM 0 HA LEU A 26 11.923 -13.540 12.460 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.414 -15.756 11.784 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.880 -16.354 12.384 1.00 0.00 H new ATOM 0 HG LEU A 26 11.071 -16.088 9.883 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.796 -15.199 9.612 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.914 -16.335 10.977 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.843 -14.584 11.282 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.764 -13.839 8.936 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.939 -13.136 10.562 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.307 -13.992 9.811 1.00 0.00 H new ATOM 421 N SER A 27 8.995 -14.468 13.634 1.00 0.00 N ATOM 422 CA SER A 27 7.624 -14.024 13.819 1.00 0.00 C ATOM 423 C SER A 27 7.607 -12.610 14.404 1.00 0.00 C ATOM 424 O SER A 27 6.949 -11.720 13.867 1.00 0.00 O ATOM 425 CB SER A 27 6.852 -14.983 14.726 1.00 0.00 C ATOM 426 OG SER A 27 5.471 -14.643 14.811 1.00 0.00 O ATOM 0 H SER A 27 9.202 -15.386 14.026 1.00 0.00 H new ATOM 0 HA SER A 27 7.133 -14.014 12.846 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.952 -16.000 14.347 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.290 -14.970 15.724 1.00 0.00 H new ATOM 0 HG SER A 27 4.927 -15.441 14.645 1.00 0.00 H new ATOM 432 N GLY A 28 8.337 -12.447 15.497 1.00 0.00 N ATOM 433 CA GLY A 28 8.414 -11.157 16.160 1.00 0.00 C ATOM 434 C GLY A 28 9.053 -10.108 15.248 1.00 0.00 C ATOM 435 O GLY A 28 8.717 -8.927 15.323 1.00 0.00 O ATOM 0 H GLY A 28 8.881 -13.187 15.940 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.414 -10.832 16.449 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.996 -11.250 17.077 1.00 0.00 H new ATOM 439 N ILE A 29 9.962 -10.578 14.406 1.00 0.00 N ATOM 440 CA ILE A 29 10.651 -9.695 13.480 1.00 0.00 C ATOM 441 C ILE A 29 9.645 -9.134 12.473 1.00 0.00 C ATOM 442 O ILE A 29 9.646 -7.936 12.192 1.00 0.00 O ATOM 443 CB ILE A 29 11.834 -10.417 12.831 1.00 0.00 C ATOM 444 CG1 ILE A 29 13.147 -10.057 13.530 1.00 0.00 C ATOM 445 CG2 ILE A 29 11.889 -10.137 11.328 1.00 0.00 C ATOM 446 CD1 ILE A 29 13.075 -10.368 15.026 1.00 0.00 C ATOM 0 H ILE A 29 10.237 -11.558 14.346 1.00 0.00 H new ATOM 0 HA ILE A 29 11.079 -8.845 14.011 1.00 0.00 H new ATOM 0 HB ILE A 29 11.688 -11.490 12.954 1.00 0.00 H new ATOM 0 HG12 ILE A 29 13.968 -10.614 13.078 1.00 0.00 H new ATOM 0 HG13 ILE A 29 13.362 -8.998 13.385 1.00 0.00 H new ATOM 0 HG21 ILE A 29 12.739 -10.662 10.891 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.968 -10.484 10.859 1.00 0.00 H new ATOM 0 HG23 ILE A 29 12.000 -9.066 11.161 1.00 0.00 H new ATOM 0 HD11 ILE A 29 14.021 -10.103 15.499 1.00 0.00 H new ATOM 0 HD12 ILE A 29 12.269 -9.791 15.479 1.00 0.00 H new ATOM 0 HD13 ILE A 29 12.884 -11.432 15.168 1.00 0.00 H new ATOM 458 N CYS A 30 8.812 -10.025 11.958 1.00 0.00 N ATOM 459 CA CYS A 30 7.803 -9.634 10.989 1.00 0.00 C ATOM 460 C CYS A 30 6.869 -8.618 11.650 1.00 0.00 C ATOM 461 O CYS A 30 6.440 -7.658 11.013 1.00 0.00 O ATOM 462 CB CYS A 30 7.039 -10.844 10.448 1.00 0.00 C ATOM 463 SG CYS A 30 5.611 -10.287 9.448 1.00 0.00 S ATOM 0 H CYS A 30 8.815 -11.017 12.194 1.00 0.00 H new ATOM 0 HA CYS A 30 8.284 -9.175 10.125 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.701 -11.460 9.840 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.694 -11.466 11.274 1.00 0.00 H new ATOM 0 HG CYS A 30 6.037 -9.610 8.423 1.00 0.00 H new ATOM 469 N GLU A 31 6.583 -8.865 12.920 1.00 0.00 N ATOM 470 CA GLU A 31 5.708 -7.984 13.675 1.00 0.00 C ATOM 471 C GLU A 31 6.345 -6.601 13.820 1.00 0.00 C ATOM 472 O GLU A 31 5.658 -5.584 13.731 1.00 0.00 O ATOM 473 CB GLU A 31 5.377 -8.582 15.044 1.00 0.00 C ATOM 474 CG GLU A 31 4.227 -7.823 15.709 1.00 0.00 C ATOM 475 CD GLU A 31 2.885 -8.197 15.077 1.00 0.00 C ATOM 476 OE1 GLU A 31 2.607 -9.414 15.012 1.00 0.00 O ATOM 477 OE2 GLU A 31 2.166 -7.257 14.672 1.00 0.00 O ATOM 0 H GLU A 31 6.942 -9.662 13.445 1.00 0.00 H new ATOM 0 HA GLU A 31 4.772 -7.876 13.127 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.107 -9.632 14.931 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.259 -8.547 15.683 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.206 -8.049 16.775 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.392 -6.750 15.613 1.00 0.00 H new ATOM 484 N PHE A 32 7.651 -6.606 14.041 1.00 0.00 N ATOM 485 CA PHE A 32 8.389 -5.364 14.199 1.00 0.00 C ATOM 486 C PHE A 32 8.507 -4.623 12.866 1.00 0.00 C ATOM 487 O PHE A 32 8.530 -3.394 12.835 1.00 0.00 O ATOM 488 CB PHE A 32 9.790 -5.735 14.689 1.00 0.00 C ATOM 489 CG PHE A 32 10.921 -5.114 13.867 1.00 0.00 C ATOM 490 CD1 PHE A 32 11.202 -3.789 13.989 1.00 0.00 C ATOM 491 CD2 PHE A 32 11.646 -5.887 13.015 1.00 0.00 C ATOM 492 CE1 PHE A 32 12.252 -3.213 13.226 1.00 0.00 C ATOM 493 CE2 PHE A 32 12.696 -5.311 12.252 1.00 0.00 C ATOM 494 CZ PHE A 32 12.977 -3.986 12.374 1.00 0.00 C ATOM 0 H PHE A 32 8.218 -7.451 14.114 1.00 0.00 H new ATOM 0 HA PHE A 32 7.872 -4.711 14.902 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.895 -5.422 15.728 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.895 -6.820 14.671 1.00 0.00 H new ATOM 0 HD1 PHE A 32 10.627 -3.175 14.666 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.423 -6.939 12.919 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.475 -2.161 13.322 1.00 0.00 H new ATOM 0 HE2 PHE A 32 13.271 -5.925 11.575 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.776 -3.548 11.794 1.00 0.00 H new ATOM 504 N ILE A 33 8.580 -5.402 11.797 1.00 0.00 N ATOM 505 CA ILE A 33 8.695 -4.835 10.464 1.00 0.00 C ATOM 506 C ILE A 33 7.333 -4.293 10.025 1.00 0.00 C ATOM 507 O ILE A 33 7.260 -3.374 9.211 1.00 0.00 O ATOM 508 CB ILE A 33 9.291 -5.859 9.496 1.00 0.00 C ATOM 509 CG1 ILE A 33 10.818 -5.773 9.478 1.00 0.00 C ATOM 510 CG2 ILE A 33 8.691 -5.704 8.097 1.00 0.00 C ATOM 511 CD1 ILE A 33 11.441 -7.141 9.196 1.00 0.00 C ATOM 0 H ILE A 33 8.562 -6.421 11.827 1.00 0.00 H new ATOM 0 HA ILE A 33 9.387 -3.993 10.467 1.00 0.00 H new ATOM 0 HB ILE A 33 9.030 -6.856 9.850 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.137 -5.061 8.717 1.00 0.00 H new ATOM 0 HG13 ILE A 33 11.176 -5.397 10.436 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.131 -6.444 7.428 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.613 -5.855 8.145 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.901 -4.703 7.720 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.527 -7.052 9.189 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.140 -7.845 9.972 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.100 -7.503 8.226 1.00 0.00 H new ATOM 523 N SER A 34 6.288 -4.887 10.583 1.00 0.00 N ATOM 524 CA SER A 34 4.933 -4.475 10.260 1.00 0.00 C ATOM 525 C SER A 34 4.639 -3.108 10.881 1.00 0.00 C ATOM 526 O SER A 34 4.059 -2.239 10.231 1.00 0.00 O ATOM 527 CB SER A 34 3.913 -5.508 10.744 1.00 0.00 C ATOM 528 OG SER A 34 3.752 -5.477 12.159 1.00 0.00 O ATOM 0 H SER A 34 6.353 -5.650 11.257 1.00 0.00 H new ATOM 0 HA SER A 34 4.848 -4.400 9.176 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.952 -5.320 10.266 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.232 -6.504 10.437 1.00 0.00 H new ATOM 0 HG SER A 34 4.631 -5.403 12.587 1.00 0.00 H new ATOM 534 N ASN A 35 5.052 -2.960 12.131 1.00 0.00 N ATOM 535 CA ASN A 35 4.840 -1.714 12.847 1.00 0.00 C ATOM 536 C ASN A 35 5.397 -0.554 12.019 1.00 0.00 C ATOM 537 O ASN A 35 4.750 0.483 11.883 1.00 0.00 O ATOM 538 CB ASN A 35 5.564 -1.723 14.195 1.00 0.00 C ATOM 539 CG ASN A 35 4.777 -0.937 15.245 1.00 0.00 C ATOM 540 OD1 ASN A 35 4.503 0.243 15.099 1.00 0.00 O ATOM 541 ND2 ASN A 35 4.429 -1.654 16.309 1.00 0.00 N ATOM 0 H ASN A 35 5.533 -3.683 12.666 1.00 0.00 H new ATOM 0 HA ASN A 35 3.769 -1.599 13.014 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.701 -2.751 14.532 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.558 -1.290 14.081 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.901 -1.220 17.066 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.690 -2.638 16.368 1.00 0.00 H new ATOM 548 N ARG A 36 6.592 -0.769 11.487 1.00 0.00 N ATOM 549 CA ARG A 36 7.243 0.246 10.676 1.00 0.00 C ATOM 550 C ARG A 36 6.483 0.445 9.364 1.00 0.00 C ATOM 551 O ARG A 36 6.445 1.551 8.826 1.00 0.00 O ATOM 552 CB ARG A 36 8.690 -0.143 10.365 1.00 0.00 C ATOM 553 CG ARG A 36 9.520 -0.236 11.647 1.00 0.00 C ATOM 554 CD ARG A 36 9.763 1.151 12.245 1.00 0.00 C ATOM 555 NE ARG A 36 9.604 1.104 13.715 1.00 0.00 N ATOM 556 CZ ARG A 36 10.170 1.975 14.561 1.00 0.00 C ATOM 557 NH1 ARG A 36 10.936 2.967 14.087 1.00 0.00 N ATOM 558 NH2 ARG A 36 9.970 1.855 15.881 1.00 0.00 N ATOM 0 H ARG A 36 7.126 -1.631 11.602 1.00 0.00 H new ATOM 0 HA ARG A 36 7.242 1.176 11.245 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.709 -1.101 9.845 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.132 0.593 9.694 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.004 -0.864 12.374 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.475 -0.716 11.432 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.765 1.495 11.990 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.062 1.868 11.818 1.00 0.00 H new ATOM 0 HE ARG A 36 9.027 0.361 14.109 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.088 3.059 13.083 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.367 3.630 14.731 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.387 1.100 16.242 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.401 2.519 16.525 1.00 0.00 H new ATOM 572 N PHE A 37 5.896 -0.642 8.886 1.00 0.00 N ATOM 573 CA PHE A 37 5.138 -0.601 7.646 1.00 0.00 C ATOM 574 C PHE A 37 3.760 -1.241 7.824 1.00 0.00 C ATOM 575 O PHE A 37 3.644 -2.463 7.895 1.00 0.00 O ATOM 576 CB PHE A 37 5.930 -1.402 6.611 1.00 0.00 C ATOM 577 CG PHE A 37 7.447 -1.340 6.803 1.00 0.00 C ATOM 578 CD1 PHE A 37 8.053 -0.147 7.045 1.00 0.00 C ATOM 579 CD2 PHE A 37 8.188 -2.478 6.733 1.00 0.00 C ATOM 580 CE1 PHE A 37 9.461 -0.089 7.223 1.00 0.00 C ATOM 581 CE2 PHE A 37 9.596 -2.420 6.912 1.00 0.00 C ATOM 582 CZ PHE A 37 10.202 -1.227 7.153 1.00 0.00 C ATOM 0 H PHE A 37 5.930 -1.557 9.335 1.00 0.00 H new ATOM 0 HA PHE A 37 4.991 0.433 7.334 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.611 -2.444 6.652 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.685 -1.032 5.615 1.00 0.00 H new ATOM 0 HD1 PHE A 37 7.464 0.756 7.102 1.00 0.00 H new ATOM 0 HD2 PHE A 37 7.706 -3.425 6.541 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.943 0.859 7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 37 10.185 -3.324 6.857 1.00 0.00 H new ATOM 0 HZ PHE A 37 11.273 -1.183 7.289 1.00 0.00 H new ATOM 592 N PRO A 38 2.723 -0.364 7.893 1.00 0.00 N ATOM 593 CA PRO A 38 1.358 -0.830 8.061 1.00 0.00 C ATOM 594 C PRO A 38 0.816 -1.422 6.758 1.00 0.00 C ATOM 595 O PRO A 38 0.296 -2.537 6.747 1.00 0.00 O ATOM 596 CB PRO A 38 0.580 0.389 8.529 1.00 0.00 C ATOM 597 CG PRO A 38 1.431 1.593 8.160 1.00 0.00 C ATOM 598 CD PRO A 38 2.823 1.091 7.813 1.00 0.00 C ATOM 0 HA PRO A 38 1.277 -1.640 8.786 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.396 0.438 8.047 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.403 0.350 9.604 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.995 2.124 7.314 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.475 2.298 8.990 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.123 1.413 6.816 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.568 1.476 8.510 1.00 0.00 H new ATOM 606 N TYR A 39 0.956 -0.648 5.692 1.00 0.00 N ATOM 607 CA TYR A 39 0.487 -1.082 4.387 1.00 0.00 C ATOM 608 C TYR A 39 1.141 -2.404 3.980 1.00 0.00 C ATOM 609 O TYR A 39 0.540 -3.203 3.264 1.00 0.00 O ATOM 610 CB TYR A 39 0.915 0.009 3.402 1.00 0.00 C ATOM 611 CG TYR A 39 2.351 0.498 3.600 1.00 0.00 C ATOM 612 CD1 TYR A 39 3.410 -0.288 3.194 1.00 0.00 C ATOM 613 CD2 TYR A 39 2.587 1.726 4.185 1.00 0.00 C ATOM 614 CE1 TYR A 39 4.761 0.173 3.380 1.00 0.00 C ATOM 615 CE2 TYR A 39 3.938 2.186 4.372 1.00 0.00 C ATOM 616 CZ TYR A 39 4.959 1.387 3.960 1.00 0.00 C ATOM 617 OH TYR A 39 6.235 1.822 4.136 1.00 0.00 O ATOM 0 H TYR A 39 1.387 0.276 5.705 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.592 -1.236 4.399 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.808 -0.371 2.386 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.237 0.857 3.498 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.225 -1.249 2.737 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.758 2.341 4.502 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.599 -0.432 3.066 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.137 3.144 4.829 1.00 0.00 H new ATOM 0 HH TYR A 39 6.224 2.705 4.561 1.00 0.00 H new ATOM 627 N TYR A 40 2.363 -2.593 4.455 1.00 0.00 N ATOM 628 CA TYR A 40 3.105 -3.805 4.150 1.00 0.00 C ATOM 629 C TYR A 40 2.384 -5.041 4.692 1.00 0.00 C ATOM 630 O TYR A 40 2.181 -6.013 3.967 1.00 0.00 O ATOM 631 CB TYR A 40 4.453 -3.664 4.860 1.00 0.00 C ATOM 632 CG TYR A 40 5.606 -4.382 4.155 1.00 0.00 C ATOM 633 CD1 TYR A 40 5.756 -5.747 4.293 1.00 0.00 C ATOM 634 CD2 TYR A 40 6.495 -3.664 3.381 1.00 0.00 C ATOM 635 CE1 TYR A 40 6.841 -6.422 3.630 1.00 0.00 C ATOM 636 CE2 TYR A 40 7.580 -4.340 2.718 1.00 0.00 C ATOM 637 CZ TYR A 40 7.699 -5.686 2.875 1.00 0.00 C ATOM 638 OH TYR A 40 8.724 -6.324 2.248 1.00 0.00 O ATOM 0 H TYR A 40 2.858 -1.928 5.049 1.00 0.00 H new ATOM 0 HA TYR A 40 3.211 -3.929 3.072 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.697 -2.605 4.947 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.361 -4.054 5.873 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.060 -6.309 4.898 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.377 -2.596 3.273 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.970 -7.490 3.730 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.283 -3.791 2.110 1.00 0.00 H new ATOM 0 HH TYR A 40 9.093 -7.012 2.841 1.00 0.00 H new ATOM 648 N ARG A 41 2.016 -4.962 5.962 1.00 0.00 N ATOM 649 CA ARG A 41 1.321 -6.062 6.610 1.00 0.00 C ATOM 650 C ARG A 41 -0.141 -6.103 6.162 1.00 0.00 C ATOM 651 O ARG A 41 -0.871 -7.035 6.497 1.00 0.00 O ATOM 652 CB ARG A 41 1.377 -5.928 8.133 1.00 0.00 C ATOM 653 CG ARG A 41 0.633 -4.675 8.601 1.00 0.00 C ATOM 654 CD ARG A 41 0.076 -4.864 10.013 1.00 0.00 C ATOM 655 NE ARG A 41 -0.609 -3.629 10.456 1.00 0.00 N ATOM 656 CZ ARG A 41 -1.108 -3.447 11.686 1.00 0.00 C ATOM 657 NH1 ARG A 41 -1.000 -4.418 12.604 1.00 0.00 N ATOM 658 NH2 ARG A 41 -1.714 -2.294 12.000 1.00 0.00 N ATOM 0 H ARG A 41 2.186 -4.153 6.560 1.00 0.00 H new ATOM 0 HA ARG A 41 1.820 -6.987 6.320 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.936 -6.811 8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.416 -5.882 8.460 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.308 -3.819 8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.181 -4.452 7.912 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.621 -5.702 10.029 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.884 -5.109 10.702 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.707 -2.869 9.783 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.538 -5.296 12.366 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.380 -4.279 13.540 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.796 -1.554 11.302 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.094 -2.156 12.937 1.00 0.00 H new ATOM 672 N GLU A 42 -0.526 -5.082 5.410 1.00 0.00 N ATOM 673 CA GLU A 42 -1.888 -4.990 4.912 1.00 0.00 C ATOM 674 C GLU A 42 -2.055 -5.854 3.661 1.00 0.00 C ATOM 675 O GLU A 42 -3.020 -6.609 3.548 1.00 0.00 O ATOM 676 CB GLU A 42 -2.272 -3.536 4.630 1.00 0.00 C ATOM 677 CG GLU A 42 -3.428 -3.091 5.527 1.00 0.00 C ATOM 678 CD GLU A 42 -3.488 -1.565 5.626 1.00 0.00 C ATOM 679 OE1 GLU A 42 -3.917 -0.947 4.628 1.00 0.00 O ATOM 680 OE2 GLU A 42 -3.105 -1.051 6.699 1.00 0.00 O ATOM 0 H GLU A 42 0.082 -4.311 5.133 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.562 -5.366 5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.410 -2.890 4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.556 -3.428 3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.369 -3.471 5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.307 -3.519 6.522 1.00 0.00 H new ATOM 687 N LYS A 43 -1.101 -5.715 2.752 1.00 0.00 N ATOM 688 CA LYS A 43 -1.131 -6.473 1.513 1.00 0.00 C ATOM 689 C LYS A 43 -0.608 -7.887 1.773 1.00 0.00 C ATOM 690 O LYS A 43 -1.228 -8.867 1.363 1.00 0.00 O ATOM 691 CB LYS A 43 -0.372 -5.730 0.412 1.00 0.00 C ATOM 692 CG LYS A 43 -0.395 -6.519 -0.899 1.00 0.00 C ATOM 693 CD LYS A 43 -1.792 -6.503 -1.524 1.00 0.00 C ATOM 694 CE LYS A 43 -2.177 -7.891 -2.039 1.00 0.00 C ATOM 695 NZ LYS A 43 -2.847 -8.672 -0.975 1.00 0.00 N ATOM 0 H LYS A 43 -0.302 -5.088 2.849 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.155 -6.572 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.818 -4.748 0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.660 -5.566 0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.325 -6.092 -1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.087 -7.548 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.521 -6.170 -0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.819 -5.786 -2.345 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.839 -7.795 -2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.286 -8.419 -2.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.056 -9.629 -1.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.223 -8.736 -0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.734 -8.201 -0.705 1.00 0.00 H new ATOM 709 N PHE A 44 0.527 -7.948 2.454 1.00 0.00 N ATOM 710 CA PHE A 44 1.140 -9.226 2.774 1.00 0.00 C ATOM 711 C PHE A 44 0.939 -10.231 1.637 1.00 0.00 C ATOM 712 O PHE A 44 0.153 -11.168 1.764 1.00 0.00 O ATOM 713 CB PHE A 44 0.447 -9.753 4.032 1.00 0.00 C ATOM 714 CG PHE A 44 1.288 -10.745 4.837 1.00 0.00 C ATOM 715 CD1 PHE A 44 1.534 -11.987 4.340 1.00 0.00 C ATOM 716 CD2 PHE A 44 1.790 -10.386 6.049 1.00 0.00 C ATOM 717 CE1 PHE A 44 2.315 -12.909 5.087 1.00 0.00 C ATOM 718 CE2 PHE A 44 2.570 -11.307 6.796 1.00 0.00 C ATOM 719 CZ PHE A 44 2.816 -12.549 6.299 1.00 0.00 C ATOM 0 H PHE A 44 1.038 -7.133 2.793 1.00 0.00 H new ATOM 0 HA PHE A 44 2.212 -9.097 2.924 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.188 -8.909 4.672 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.488 -10.234 3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.136 -12.272 3.378 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.595 -9.400 6.443 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.511 -13.895 4.693 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.968 -11.022 7.759 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.410 -13.250 6.867 1.00 0.00 H new ATOM 729 N PRO A 45 1.682 -9.994 0.523 1.00 0.00 N ATOM 730 CA PRO A 45 1.593 -10.867 -0.635 1.00 0.00 C ATOM 731 C PRO A 45 2.326 -12.187 -0.385 1.00 0.00 C ATOM 732 O PRO A 45 2.861 -12.790 -1.314 1.00 0.00 O ATOM 733 CB PRO A 45 2.190 -10.064 -1.780 1.00 0.00 C ATOM 734 CG PRO A 45 3.010 -8.961 -1.132 1.00 0.00 C ATOM 735 CD PRO A 45 2.623 -8.894 0.337 1.00 0.00 C ATOM 0 HA PRO A 45 0.568 -11.160 -0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.814 -10.693 -2.415 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.408 -9.648 -2.415 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.075 -9.165 -1.237 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.819 -8.006 -1.621 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.495 -9.005 0.982 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.165 -7.936 0.583 1.00 0.00 H new ATOM 743 N ALA A 46 2.326 -12.597 0.875 1.00 0.00 N ATOM 744 CA ALA A 46 2.984 -13.834 1.259 1.00 0.00 C ATOM 745 C ALA A 46 4.498 -13.619 1.271 1.00 0.00 C ATOM 746 O ALA A 46 5.234 -14.320 0.578 1.00 0.00 O ATOM 747 CB ALA A 46 2.561 -14.954 0.307 1.00 0.00 C ATOM 0 H ALA A 46 1.881 -12.094 1.643 1.00 0.00 H new ATOM 0 HA ALA A 46 2.686 -14.131 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.055 -15.882 0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.480 -15.087 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.846 -14.692 -0.712 1.00 0.00 H new ATOM 753 N TRP A 47 4.920 -12.646 2.066 1.00 0.00 N ATOM 754 CA TRP A 47 6.333 -12.330 2.177 1.00 0.00 C ATOM 755 C TRP A 47 6.898 -13.099 3.373 1.00 0.00 C ATOM 756 O TRP A 47 7.881 -12.677 3.980 1.00 0.00 O ATOM 757 CB TRP A 47 6.551 -10.819 2.282 1.00 0.00 C ATOM 758 CG TRP A 47 5.686 -10.138 3.344 1.00 0.00 C ATOM 759 CD1 TRP A 47 4.363 -9.926 3.320 1.00 0.00 C ATOM 760 CD2 TRP A 47 6.141 -9.585 4.598 1.00 0.00 C ATOM 761 NE1 TRP A 47 3.934 -9.279 4.461 1.00 0.00 N ATOM 762 CE2 TRP A 47 5.049 -9.066 5.263 1.00 0.00 C ATOM 763 CE3 TRP A 47 7.432 -9.526 5.151 1.00 0.00 C ATOM 764 CZ2 TRP A 47 5.137 -8.450 6.517 1.00 0.00 C ATOM 765 CZ3 TRP A 47 7.503 -8.907 6.405 1.00 0.00 C ATOM 766 CH2 TRP A 47 6.413 -8.379 7.088 1.00 0.00 C ATOM 0 H TRP A 47 4.307 -12.066 2.639 1.00 0.00 H new ATOM 0 HA TRP A 47 6.868 -12.640 1.279 1.00 0.00 H new ATOM 0 HB2 TRP A 47 7.601 -10.628 2.506 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.344 -10.364 1.313 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.714 -10.224 2.510 1.00 0.00 H new ATOM 0 HE1 TRP A 47 2.975 -9.007 4.676 1.00 0.00 H new ATOM 0 HE3 TRP A 47 8.300 -9.926 4.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 4.267 -8.051 7.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 8.473 -8.835 6.875 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.550 -7.916 8.054 1.00 0.00 H new ATOM 777 N GLN A 48 6.251 -14.215 3.677 1.00 0.00 N ATOM 778 CA GLN A 48 6.675 -15.047 4.790 1.00 0.00 C ATOM 779 C GLN A 48 8.049 -15.656 4.503 1.00 0.00 C ATOM 780 O GLN A 48 9.030 -15.325 5.169 1.00 0.00 O ATOM 781 CB GLN A 48 5.643 -16.137 5.085 1.00 0.00 C ATOM 782 CG GLN A 48 6.315 -17.390 5.650 1.00 0.00 C ATOM 783 CD GLN A 48 6.011 -18.613 4.783 1.00 0.00 C ATOM 784 OE1 GLN A 48 6.749 -18.964 3.877 1.00 0.00 O ATOM 785 NE2 GLN A 48 4.885 -19.242 5.111 1.00 0.00 N ATOM 0 H GLN A 48 5.436 -14.562 3.171 1.00 0.00 H new ATOM 0 HA GLN A 48 6.755 -14.419 5.678 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.907 -15.763 5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.104 -16.389 4.172 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.393 -17.236 5.703 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.967 -17.566 6.668 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.313 -18.895 5.881 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.594 -20.071 4.592 1.00 0.00 H new ATOM 794 N ASN A 49 8.077 -16.534 3.512 1.00 0.00 N ATOM 795 CA ASN A 49 9.314 -17.192 3.129 1.00 0.00 C ATOM 796 C ASN A 49 10.215 -16.192 2.401 1.00 0.00 C ATOM 797 O ASN A 49 11.421 -16.404 2.290 1.00 0.00 O ATOM 798 CB ASN A 49 9.045 -18.363 2.181 1.00 0.00 C ATOM 799 CG ASN A 49 8.167 -17.927 1.006 1.00 0.00 C ATOM 800 OD1 ASN A 49 8.385 -16.901 0.382 1.00 0.00 O ATOM 801 ND2 ASN A 49 7.165 -18.760 0.741 1.00 0.00 N ATOM 0 H ASN A 49 7.262 -16.805 2.962 1.00 0.00 H new ATOM 0 HA ASN A 49 9.792 -17.564 4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.990 -18.757 1.807 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.556 -19.171 2.725 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.522 -18.557 -0.024 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.040 -19.602 1.303 1.00 0.00 H new ATOM 808 N SER A 50 9.593 -15.123 1.924 1.00 0.00 N ATOM 809 CA SER A 50 10.323 -14.090 1.209 1.00 0.00 C ATOM 810 C SER A 50 11.324 -13.413 2.148 1.00 0.00 C ATOM 811 O SER A 50 12.521 -13.381 1.865 1.00 0.00 O ATOM 812 CB SER A 50 9.369 -13.053 0.614 1.00 0.00 C ATOM 813 OG SER A 50 8.304 -13.661 -0.111 1.00 0.00 O ATOM 0 H SER A 50 8.592 -14.950 2.019 1.00 0.00 H new ATOM 0 HA SER A 50 10.864 -14.559 0.387 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.958 -12.438 1.414 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.924 -12.387 -0.047 1.00 0.00 H new ATOM 0 HG SER A 50 7.771 -12.967 -0.553 1.00 0.00 H new ATOM 819 N ILE A 51 10.798 -12.889 3.245 1.00 0.00 N ATOM 820 CA ILE A 51 11.631 -12.215 4.226 1.00 0.00 C ATOM 821 C ILE A 51 12.535 -13.241 4.912 1.00 0.00 C ATOM 822 O ILE A 51 13.690 -12.949 5.219 1.00 0.00 O ATOM 823 CB ILE A 51 10.767 -11.408 5.198 1.00 0.00 C ATOM 824 CG1 ILE A 51 11.592 -10.325 5.896 1.00 0.00 C ATOM 825 CG2 ILE A 51 10.064 -12.328 6.199 1.00 0.00 C ATOM 826 CD1 ILE A 51 12.556 -10.940 6.913 1.00 0.00 C ATOM 0 H ILE A 51 9.805 -12.918 3.476 1.00 0.00 H new ATOM 0 HA ILE A 51 12.284 -11.490 3.739 1.00 0.00 H new ATOM 0 HB ILE A 51 9.990 -10.901 4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.154 -9.756 5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.926 -9.623 6.399 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.457 -11.730 6.878 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.425 -13.029 5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.809 -12.881 6.770 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.130 -10.149 7.395 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.990 -11.487 7.666 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.236 -11.623 6.403 1.00 0.00 H new ATOM 838 N ARG A 52 11.975 -14.421 5.134 1.00 0.00 N ATOM 839 CA ARG A 52 12.716 -15.492 5.778 1.00 0.00 C ATOM 840 C ARG A 52 13.881 -15.939 4.893 1.00 0.00 C ATOM 841 O ARG A 52 14.914 -16.378 5.395 1.00 0.00 O ATOM 842 CB ARG A 52 11.812 -16.692 6.065 1.00 0.00 C ATOM 843 CG ARG A 52 11.134 -16.554 7.429 1.00 0.00 C ATOM 844 CD ARG A 52 10.032 -17.602 7.603 1.00 0.00 C ATOM 845 NE ARG A 52 8.741 -16.938 7.887 1.00 0.00 N ATOM 846 CZ ARG A 52 7.716 -17.526 8.518 1.00 0.00 C ATOM 847 NH1 ARG A 52 7.825 -18.796 8.933 1.00 0.00 N ATOM 848 NH2 ARG A 52 6.582 -16.846 8.733 1.00 0.00 N ATOM 0 H ARG A 52 11.016 -14.659 4.879 1.00 0.00 H new ATOM 0 HA ARG A 52 13.100 -15.107 6.723 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.055 -16.776 5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.400 -17.609 6.038 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.875 -16.666 8.220 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.710 -15.555 7.529 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.948 -18.207 6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.289 -18.279 8.417 1.00 0.00 H new ATOM 0 HE ARG A 52 8.624 -15.971 7.583 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.688 -19.314 8.768 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.045 -19.244 9.414 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.499 -15.880 8.416 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.802 -17.294 9.213 1.00 0.00 H new ATOM 862 N HIS A 53 13.675 -15.812 3.590 1.00 0.00 N ATOM 863 CA HIS A 53 14.695 -16.197 2.630 1.00 0.00 C ATOM 864 C HIS A 53 15.851 -15.197 2.680 1.00 0.00 C ATOM 865 O HIS A 53 16.991 -15.574 2.952 1.00 0.00 O ATOM 866 CB HIS A 53 14.096 -16.340 1.229 1.00 0.00 C ATOM 867 CG HIS A 53 15.089 -16.129 0.112 1.00 0.00 C ATOM 868 ND1 HIS A 53 15.456 -14.873 -0.338 1.00 0.00 N ATOM 869 CD2 HIS A 53 15.789 -17.027 -0.640 1.00 0.00 C ATOM 870 CE1 HIS A 53 16.336 -15.020 -1.318 1.00 0.00 C ATOM 871 NE2 HIS A 53 16.541 -16.356 -1.503 1.00 0.00 N ATOM 0 H HIS A 53 12.816 -15.448 3.177 1.00 0.00 H new ATOM 0 HA HIS A 53 15.095 -17.176 2.893 1.00 0.00 H new ATOM 0 HB2 HIS A 53 13.660 -17.334 1.131 1.00 0.00 H new ATOM 0 HB3 HIS A 53 13.282 -15.623 1.118 1.00 0.00 H new ATOM 0 HD2 HIS A 53 15.739 -18.102 -0.548 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.808 -14.222 -1.873 1.00 0.00 H new ATOM 0 HE2 HIS A 53 17.169 -16.771 -2.191 1.00 0.00 H new ATOM 879 N ASN A 54 15.519 -13.943 2.415 1.00 0.00 N ATOM 880 CA ASN A 54 16.516 -12.886 2.427 1.00 0.00 C ATOM 881 C ASN A 54 17.045 -12.706 3.852 1.00 0.00 C ATOM 882 O ASN A 54 18.077 -12.068 4.059 1.00 0.00 O ATOM 883 CB ASN A 54 15.913 -11.554 1.976 1.00 0.00 C ATOM 884 CG ASN A 54 16.358 -11.204 0.555 1.00 0.00 C ATOM 885 OD1 ASN A 54 17.105 -11.926 -0.085 1.00 0.00 O ATOM 886 ND2 ASN A 54 15.859 -10.059 0.098 1.00 0.00 N ATOM 0 H ASN A 54 14.573 -13.634 2.190 1.00 0.00 H new ATOM 0 HA ASN A 54 17.316 -13.170 1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.825 -11.611 2.017 1.00 0.00 H new ATOM 0 HB3 ASN A 54 16.217 -10.763 2.661 1.00 0.00 H new ATOM 0 HD21 ASN A 54 16.096 -9.738 -0.841 1.00 0.00 H new ATOM 0 HD22 ASN A 54 15.239 -9.502 0.686 1.00 0.00 H new ATOM 893 N LEU A 55 16.315 -13.280 4.797 1.00 0.00 N ATOM 894 CA LEU A 55 16.699 -13.191 6.196 1.00 0.00 C ATOM 895 C LEU A 55 17.762 -14.249 6.497 1.00 0.00 C ATOM 896 O LEU A 55 18.837 -13.928 7.002 1.00 0.00 O ATOM 897 CB LEU A 55 15.465 -13.285 7.096 1.00 0.00 C ATOM 898 CG LEU A 55 15.738 -13.442 8.593 1.00 0.00 C ATOM 899 CD1 LEU A 55 16.930 -12.585 9.026 1.00 0.00 C ATOM 900 CD2 LEU A 55 14.484 -13.135 9.414 1.00 0.00 C ATOM 0 H LEU A 55 15.460 -13.808 4.622 1.00 0.00 H new ATOM 0 HA LEU A 55 17.147 -12.220 6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 55 14.863 -12.388 6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.862 -14.131 6.766 1.00 0.00 H new ATOM 0 HG LEU A 55 16.002 -14.482 8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 55 17.103 -12.715 10.094 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.819 -12.893 8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 55 16.719 -11.536 8.818 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.705 -13.254 10.475 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.166 -12.110 9.223 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.686 -13.822 9.131 1.00 0.00 H new ATOM 912 N SER A 56 17.425 -15.489 6.174 1.00 0.00 N ATOM 913 CA SER A 56 18.337 -16.597 6.403 1.00 0.00 C ATOM 914 C SER A 56 19.503 -16.528 5.414 1.00 0.00 C ATOM 915 O SER A 56 20.665 -16.550 5.816 1.00 0.00 O ATOM 916 CB SER A 56 17.615 -17.940 6.281 1.00 0.00 C ATOM 917 OG SER A 56 17.213 -18.210 4.941 1.00 0.00 O ATOM 0 H SER A 56 16.533 -15.751 5.755 1.00 0.00 H new ATOM 0 HA SER A 56 18.725 -16.516 7.418 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.271 -18.737 6.630 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.739 -17.941 6.930 1.00 0.00 H new ATOM 0 HG SER A 56 16.394 -17.711 4.738 1.00 0.00 H new ATOM 923 N LEU A 57 19.151 -16.447 4.139 1.00 0.00 N ATOM 924 CA LEU A 57 20.153 -16.376 3.090 1.00 0.00 C ATOM 925 C LEU A 57 20.670 -14.940 2.981 1.00 0.00 C ATOM 926 O LEU A 57 20.155 -14.149 2.192 1.00 0.00 O ATOM 927 CB LEU A 57 19.595 -16.929 1.777 1.00 0.00 C ATOM 928 CG LEU A 57 19.946 -18.385 1.460 1.00 0.00 C ATOM 929 CD1 LEU A 57 19.377 -19.329 2.520 1.00 0.00 C ATOM 930 CD2 LEU A 57 19.489 -18.764 0.050 1.00 0.00 C ATOM 0 H LEU A 57 18.186 -16.429 3.809 1.00 0.00 H new ATOM 0 HA LEU A 57 21.008 -17.006 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 57 18.509 -16.834 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 57 19.954 -16.303 0.960 1.00 0.00 H new ATOM 0 HG LEU A 57 21.031 -18.489 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 57 19.641 -20.357 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 57 19.792 -19.074 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 57 18.292 -19.230 2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 57 19.750 -19.803 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 57 18.409 -18.640 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 57 19.982 -18.119 -0.678 1.00 0.00 H new ATOM 942 N ASN A 58 21.681 -14.646 3.785 1.00 0.00 N ATOM 943 CA ASN A 58 22.273 -13.319 3.789 1.00 0.00 C ATOM 944 C ASN A 58 23.264 -13.211 4.949 1.00 0.00 C ATOM 945 O ASN A 58 24.460 -13.020 4.733 1.00 0.00 O ATOM 946 CB ASN A 58 21.204 -12.240 3.978 1.00 0.00 C ATOM 947 CG ASN A 58 21.400 -11.095 2.982 1.00 0.00 C ATOM 948 OD1 ASN A 58 21.467 -9.930 3.341 1.00 0.00 O ATOM 949 ND2 ASN A 58 21.487 -11.488 1.715 1.00 0.00 N ATOM 0 H ASN A 58 22.105 -15.304 4.438 1.00 0.00 H new ATOM 0 HA ASN A 58 22.772 -13.169 2.831 1.00 0.00 H new ATOM 0 HB2 ASN A 58 20.214 -12.677 3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 58 21.248 -11.853 4.996 1.00 0.00 H new ATOM 0 HD21 ASN A 58 21.618 -10.798 0.975 1.00 0.00 H new ATOM 0 HD22 ASN A 58 21.423 -12.479 1.483 1.00 0.00 H new ATOM 956 N ASP A 59 22.730 -13.337 6.156 1.00 0.00 N ATOM 957 CA ASP A 59 23.553 -13.255 7.350 1.00 0.00 C ATOM 958 C ASP A 59 24.281 -14.585 7.554 1.00 0.00 C ATOM 959 O ASP A 59 25.490 -14.607 7.782 1.00 0.00 O ATOM 960 CB ASP A 59 22.698 -12.990 8.591 1.00 0.00 C ATOM 961 CG ASP A 59 22.316 -11.525 8.812 1.00 0.00 C ATOM 962 OD1 ASP A 59 23.103 -10.829 9.488 1.00 0.00 O ATOM 963 OD2 ASP A 59 21.245 -11.134 8.299 1.00 0.00 O ATOM 0 H ASP A 59 21.738 -13.495 6.332 1.00 0.00 H new ATOM 0 HA ASP A 59 24.260 -12.436 7.217 1.00 0.00 H new ATOM 0 HB2 ASP A 59 21.785 -13.581 8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 59 23.238 -13.345 9.469 1.00 0.00 H new ATOM 968 N CYS A 60 23.515 -15.663 7.465 1.00 0.00 N ATOM 969 CA CYS A 60 24.073 -16.993 7.636 1.00 0.00 C ATOM 970 C CYS A 60 23.993 -17.360 9.120 1.00 0.00 C ATOM 971 O CYS A 60 25.000 -17.328 9.825 1.00 0.00 O ATOM 972 CB CYS A 60 25.504 -17.080 7.103 1.00 0.00 C ATOM 973 SG CYS A 60 25.794 -18.725 6.354 1.00 0.00 S ATOM 0 H CYS A 60 22.513 -15.642 7.277 1.00 0.00 H new ATOM 0 HA CYS A 60 23.495 -17.710 7.053 1.00 0.00 H new ATOM 0 HB2 CYS A 60 25.673 -16.299 6.362 1.00 0.00 H new ATOM 0 HB3 CYS A 60 26.213 -16.910 7.913 1.00 0.00 H new ATOM 0 HG CYS A 60 27.011 -18.788 5.902 1.00 0.00 H new ATOM 979 N PHE A 61 22.787 -17.699 9.549 1.00 0.00 N ATOM 980 CA PHE A 61 22.563 -18.071 10.936 1.00 0.00 C ATOM 981 C PHE A 61 21.662 -19.303 11.034 1.00 0.00 C ATOM 982 O PHE A 61 21.468 -20.015 10.050 1.00 0.00 O ATOM 983 CB PHE A 61 21.865 -16.888 11.609 1.00 0.00 C ATOM 984 CG PHE A 61 20.701 -16.310 10.801 1.00 0.00 C ATOM 985 CD1 PHE A 61 19.525 -16.989 10.722 1.00 0.00 C ATOM 986 CD2 PHE A 61 20.843 -15.118 10.162 1.00 0.00 C ATOM 987 CE1 PHE A 61 18.445 -16.452 9.972 1.00 0.00 C ATOM 988 CE2 PHE A 61 19.763 -14.581 9.412 1.00 0.00 C ATOM 989 CZ PHE A 61 18.587 -15.260 9.333 1.00 0.00 C ATOM 0 H PHE A 61 21.954 -17.724 8.961 1.00 0.00 H new ATOM 0 HA PHE A 61 23.512 -18.309 11.416 1.00 0.00 H new ATOM 0 HB2 PHE A 61 21.495 -17.205 12.584 1.00 0.00 H new ATOM 0 HB3 PHE A 61 22.597 -16.100 11.786 1.00 0.00 H new ATOM 0 HD1 PHE A 61 19.413 -17.936 11.229 1.00 0.00 H new ATOM 0 HD2 PHE A 61 21.777 -14.580 10.225 1.00 0.00 H new ATOM 0 HE1 PHE A 61 17.511 -16.990 9.909 1.00 0.00 H new ATOM 0 HE2 PHE A 61 19.875 -13.634 8.905 1.00 0.00 H new ATOM 0 HZ PHE A 61 17.766 -14.852 8.762 1.00 0.00 H new ATOM 999 N VAL A 62 21.135 -19.517 12.231 1.00 0.00 N ATOM 1000 CA VAL A 62 20.258 -20.651 12.471 1.00 0.00 C ATOM 1001 C VAL A 62 18.919 -20.149 13.015 1.00 0.00 C ATOM 1002 O VAL A 62 18.814 -19.007 13.458 1.00 0.00 O ATOM 1003 CB VAL A 62 20.943 -21.654 13.401 1.00 0.00 C ATOM 1004 CG1 VAL A 62 22.253 -22.161 12.793 1.00 0.00 C ATOM 1005 CG2 VAL A 62 21.181 -21.045 14.785 1.00 0.00 C ATOM 0 H VAL A 62 21.298 -18.924 13.045 1.00 0.00 H new ATOM 0 HA VAL A 62 20.053 -21.179 11.540 1.00 0.00 H new ATOM 0 HB VAL A 62 20.277 -22.508 13.520 1.00 0.00 H new ATOM 0 HG11 VAL A 62 22.719 -22.872 13.475 1.00 0.00 H new ATOM 0 HG12 VAL A 62 22.047 -22.652 11.842 1.00 0.00 H new ATOM 0 HG13 VAL A 62 22.927 -21.320 12.629 1.00 0.00 H new ATOM 0 HG21 VAL A 62 21.669 -21.779 15.426 1.00 0.00 H new ATOM 0 HG22 VAL A 62 21.817 -20.165 14.691 1.00 0.00 H new ATOM 0 HG23 VAL A 62 20.226 -20.757 15.225 1.00 0.00 H new ATOM 1015 N LYS A 63 17.929 -21.028 12.963 1.00 0.00 N ATOM 1016 CA LYS A 63 16.601 -20.688 13.444 1.00 0.00 C ATOM 1017 C LYS A 63 15.978 -21.914 14.116 1.00 0.00 C ATOM 1018 O LYS A 63 16.615 -22.961 14.218 1.00 0.00 O ATOM 1019 CB LYS A 63 15.751 -20.110 12.311 1.00 0.00 C ATOM 1020 CG LYS A 63 15.848 -20.978 11.055 1.00 0.00 C ATOM 1021 CD LYS A 63 16.159 -20.127 9.822 1.00 0.00 C ATOM 1022 CE LYS A 63 17.473 -20.563 9.171 1.00 0.00 C ATOM 1023 NZ LYS A 63 18.523 -19.543 9.389 1.00 0.00 N ATOM 0 H LYS A 63 18.020 -21.975 12.595 1.00 0.00 H new ATOM 0 HA LYS A 63 16.659 -19.904 14.199 1.00 0.00 H new ATOM 0 HB2 LYS A 63 14.711 -20.041 12.630 1.00 0.00 H new ATOM 0 HB3 LYS A 63 16.082 -19.097 12.084 1.00 0.00 H new ATOM 0 HG2 LYS A 63 16.626 -21.730 11.188 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.910 -21.513 10.905 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.346 -20.214 9.101 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.221 -19.077 10.107 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.793 -21.518 9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.323 -20.716 8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.967 -19.302 8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.097 -18.690 9.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.244 -19.920 10.037 1.00 0.00 H new ATOM 1037 N ILE A 64 14.740 -21.742 14.556 1.00 0.00 N ATOM 1038 CA ILE A 64 14.024 -22.821 15.215 1.00 0.00 C ATOM 1039 C ILE A 64 12.789 -23.187 14.389 1.00 0.00 C ATOM 1040 O ILE A 64 11.950 -22.333 14.108 1.00 0.00 O ATOM 1041 CB ILE A 64 13.705 -22.446 16.664 1.00 0.00 C ATOM 1042 CG1 ILE A 64 14.955 -22.537 17.541 1.00 0.00 C ATOM 1043 CG2 ILE A 64 12.558 -23.298 17.211 1.00 0.00 C ATOM 1044 CD1 ILE A 64 15.323 -23.995 17.824 1.00 0.00 C ATOM 0 H ILE A 64 14.215 -20.872 14.469 1.00 0.00 H new ATOM 0 HA ILE A 64 14.647 -23.713 15.270 1.00 0.00 H new ATOM 0 HB ILE A 64 13.373 -21.408 16.683 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.788 -22.038 17.046 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.783 -22.013 18.481 1.00 0.00 H new ATOM 0 HG21 ILE A 64 12.351 -23.011 18.242 1.00 0.00 H new ATOM 0 HG22 ILE A 64 11.666 -23.140 16.605 1.00 0.00 H new ATOM 0 HG23 ILE A 64 12.838 -24.351 17.176 1.00 0.00 H new ATOM 0 HD11 ILE A 64 16.215 -24.030 18.449 1.00 0.00 H new ATOM 0 HD12 ILE A 64 14.498 -24.485 18.341 1.00 0.00 H new ATOM 0 HD13 ILE A 64 15.519 -24.510 16.883 1.00 0.00 H new ATOM 1056 N PRO A 65 12.716 -24.492 14.013 1.00 0.00 N ATOM 1057 CA PRO A 65 11.598 -24.982 13.224 1.00 0.00 C ATOM 1058 C PRO A 65 10.340 -25.123 14.084 1.00 0.00 C ATOM 1059 O PRO A 65 10.245 -24.524 15.154 1.00 0.00 O ATOM 1060 CB PRO A 65 12.074 -26.305 12.646 1.00 0.00 C ATOM 1061 CG PRO A 65 13.257 -26.731 13.500 1.00 0.00 C ATOM 1062 CD PRO A 65 13.691 -25.532 14.327 1.00 0.00 C ATOM 0 HA PRO A 65 11.312 -24.295 12.428 1.00 0.00 H new ATOM 0 HB2 PRO A 65 11.281 -27.052 12.676 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.366 -26.193 11.602 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.980 -27.562 14.149 1.00 0.00 H new ATOM 0 HG3 PRO A 65 14.077 -27.078 12.871 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.692 -25.765 15.392 1.00 0.00 H new ATOM 0 HD3 PRO A 65 14.702 -25.218 14.068 1.00 0.00 H new ATOM 1070 N ARG A 66 9.407 -25.919 13.584 1.00 0.00 N ATOM 1071 CA ARG A 66 8.159 -26.147 14.294 1.00 0.00 C ATOM 1072 C ARG A 66 8.422 -26.885 15.608 1.00 0.00 C ATOM 1073 O ARG A 66 7.889 -27.970 15.832 1.00 0.00 O ATOM 1074 CB ARG A 66 7.184 -26.964 13.444 1.00 0.00 C ATOM 1075 CG ARG A 66 5.734 -26.621 13.792 1.00 0.00 C ATOM 1076 CD ARG A 66 4.975 -27.863 14.265 1.00 0.00 C ATOM 1077 NE ARG A 66 3.585 -27.502 14.623 1.00 0.00 N ATOM 1078 CZ ARG A 66 3.249 -26.793 15.709 1.00 0.00 C ATOM 1079 NH1 ARG A 66 4.200 -26.365 16.551 1.00 0.00 N ATOM 1080 NH2 ARG A 66 1.962 -26.512 15.953 1.00 0.00 N ATOM 0 H ARG A 66 9.489 -26.414 12.696 1.00 0.00 H new ATOM 0 HA ARG A 66 7.714 -25.174 14.503 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.364 -26.768 12.387 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.359 -28.028 13.605 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.714 -25.859 14.571 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.237 -26.197 12.919 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.972 -28.619 13.479 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.479 -28.301 15.127 1.00 0.00 H new ATOM 0 HE ARG A 66 2.836 -27.812 14.004 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.180 -26.579 16.365 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.944 -25.825 17.378 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.238 -26.838 15.312 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.706 -25.972 16.780 1.00 0.00 H new ATOM 1094 N GLU A 67 9.246 -26.267 16.442 1.00 0.00 N ATOM 1095 CA GLU A 67 9.586 -26.852 17.728 1.00 0.00 C ATOM 1096 C GLU A 67 9.666 -25.764 18.801 1.00 0.00 C ATOM 1097 O GLU A 67 10.581 -25.765 19.623 1.00 0.00 O ATOM 1098 CB GLU A 67 10.897 -27.636 17.643 1.00 0.00 C ATOM 1099 CG GLU A 67 11.232 -28.290 18.985 1.00 0.00 C ATOM 1100 CD GLU A 67 12.635 -27.897 19.452 1.00 0.00 C ATOM 1101 OE1 GLU A 67 13.600 -28.379 18.820 1.00 0.00 O ATOM 1102 OE2 GLU A 67 12.711 -27.122 20.430 1.00 0.00 O ATOM 0 H GLU A 67 9.688 -25.367 16.252 1.00 0.00 H new ATOM 0 HA GLU A 67 8.799 -27.553 18.007 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.818 -28.401 16.871 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.706 -26.968 17.348 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.498 -27.989 19.733 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.166 -29.374 18.892 1.00 0.00 H new ATOM 1109 N PRO A 68 8.670 -24.839 18.757 1.00 0.00 N ATOM 1110 CA PRO A 68 8.619 -23.748 19.716 1.00 0.00 C ATOM 1111 C PRO A 68 8.146 -24.243 21.084 1.00 0.00 C ATOM 1112 O PRO A 68 8.886 -24.170 22.064 1.00 0.00 O ATOM 1113 CB PRO A 68 7.681 -22.725 19.097 1.00 0.00 C ATOM 1114 CG PRO A 68 6.882 -23.475 18.044 1.00 0.00 C ATOM 1115 CD PRO A 68 7.571 -24.807 17.797 1.00 0.00 C ATOM 0 HA PRO A 68 9.598 -23.308 19.906 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.024 -22.292 19.851 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.240 -21.903 18.651 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.858 -23.632 18.382 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.828 -22.896 17.122 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.887 -25.641 17.951 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.937 -24.880 16.773 1.00 0.00 H new ATOM 1123 N GLY A 69 6.916 -24.735 21.108 1.00 0.00 N ATOM 1124 CA GLY A 69 6.336 -25.241 22.340 1.00 0.00 C ATOM 1125 C GLY A 69 5.033 -24.512 22.673 1.00 0.00 C ATOM 1126 O GLY A 69 4.444 -24.737 23.729 1.00 0.00 O ATOM 0 H GLY A 69 6.305 -24.794 20.293 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.144 -26.310 22.244 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.046 -25.117 23.158 1.00 0.00 H new ATOM 1130 N ASN A 70 4.622 -23.652 21.752 1.00 0.00 N ATOM 1131 CA ASN A 70 3.400 -22.888 21.935 1.00 0.00 C ATOM 1132 C ASN A 70 2.592 -22.908 20.635 1.00 0.00 C ATOM 1133 O ASN A 70 3.153 -22.770 19.549 1.00 0.00 O ATOM 1134 CB ASN A 70 3.708 -21.429 22.277 1.00 0.00 C ATOM 1135 CG ASN A 70 4.260 -20.685 21.060 1.00 0.00 C ATOM 1136 OD1 ASN A 70 5.560 -20.873 20.854 1.00 0.00 O flip ATOM 1137 ND2 ASN A 70 3.551 -19.986 20.354 1.00 0.00 N flip ATOM 0 H ASN A 70 5.114 -23.468 20.877 1.00 0.00 H new ATOM 0 HA ASN A 70 2.840 -23.340 22.754 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.802 -20.935 22.629 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.431 -21.388 23.092 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.559 -19.885 20.569 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.950 -19.503 19.549 1.00 0.00 H new ATOM 1144 N PRO A 71 1.253 -23.085 20.794 1.00 0.00 N ATOM 1145 CA PRO A 71 0.362 -23.125 19.646 1.00 0.00 C ATOM 1146 C PRO A 71 0.144 -21.723 19.073 1.00 0.00 C ATOM 1147 O PRO A 71 -0.563 -20.909 19.665 1.00 0.00 O ATOM 1148 CB PRO A 71 -0.918 -23.761 20.163 1.00 0.00 C ATOM 1149 CG PRO A 71 -0.867 -23.628 21.677 1.00 0.00 C ATOM 1150 CD PRO A 71 0.554 -23.252 22.065 1.00 0.00 C ATOM 0 HA PRO A 71 0.770 -23.702 18.816 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.796 -23.259 19.756 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.982 -24.807 19.865 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.569 -22.867 22.017 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.157 -24.565 22.152 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.574 -22.334 22.652 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.017 -24.029 22.673 1.00 0.00 H new ATOM 1158 N GLY A 72 0.764 -21.484 17.927 1.00 0.00 N ATOM 1159 CA GLY A 72 0.647 -20.195 17.267 1.00 0.00 C ATOM 1160 C GLY A 72 1.789 -19.983 16.271 1.00 0.00 C ATOM 1161 O GLY A 72 2.485 -20.930 15.908 1.00 0.00 O ATOM 0 H GLY A 72 1.349 -22.162 17.438 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.309 -20.134 16.748 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.657 -19.399 18.012 1.00 0.00 H new ATOM 1165 N LYS A 73 1.947 -18.734 15.858 1.00 0.00 N ATOM 1166 CA LYS A 73 2.993 -18.385 14.911 1.00 0.00 C ATOM 1167 C LYS A 73 4.210 -17.858 15.674 1.00 0.00 C ATOM 1168 O LYS A 73 4.844 -16.894 15.249 1.00 0.00 O ATOM 1169 CB LYS A 73 2.459 -17.412 13.858 1.00 0.00 C ATOM 1170 CG LYS A 73 2.700 -17.948 12.445 1.00 0.00 C ATOM 1171 CD LYS A 73 2.516 -16.844 11.402 1.00 0.00 C ATOM 1172 CE LYS A 73 1.346 -17.162 10.468 1.00 0.00 C ATOM 1173 NZ LYS A 73 1.672 -18.318 9.604 1.00 0.00 N ATOM 0 H LYS A 73 1.368 -17.951 16.162 1.00 0.00 H new ATOM 0 HA LYS A 73 3.319 -19.267 14.360 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.392 -17.252 14.013 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.946 -16.444 13.972 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.708 -18.356 12.374 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.010 -18.766 12.240 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.338 -15.892 11.902 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.431 -16.732 10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.453 -17.379 11.055 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.118 -16.292 9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.015 -18.345 8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.647 -18.225 9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.584 -19.197 10.153 1.00 0.00 H new ATOM 1187 N GLY A 74 4.500 -18.515 16.788 1.00 0.00 N ATOM 1188 CA GLY A 74 5.630 -18.125 17.614 1.00 0.00 C ATOM 1189 C GLY A 74 6.790 -19.110 17.457 1.00 0.00 C ATOM 1190 O GLY A 74 6.610 -20.316 17.615 1.00 0.00 O ATOM 0 H GLY A 74 3.972 -19.315 17.138 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.959 -17.123 17.337 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.323 -18.082 18.659 1.00 0.00 H new ATOM 1194 N ASN A 75 7.954 -18.559 17.146 1.00 0.00 N ATOM 1195 CA ASN A 75 9.143 -19.374 16.965 1.00 0.00 C ATOM 1196 C ASN A 75 10.354 -18.637 17.541 1.00 0.00 C ATOM 1197 O ASN A 75 10.200 -17.683 18.303 1.00 0.00 O ATOM 1198 CB ASN A 75 9.410 -19.637 15.482 1.00 0.00 C ATOM 1199 CG ASN A 75 9.726 -18.335 14.743 1.00 0.00 C ATOM 1200 OD1 ASN A 75 10.305 -17.408 15.285 1.00 0.00 O ATOM 1201 ND2 ASN A 75 9.315 -18.318 13.478 1.00 0.00 N ATOM 0 H ASN A 75 8.099 -17.558 17.015 1.00 0.00 H new ATOM 0 HA ASN A 75 8.982 -20.323 17.476 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.244 -20.331 15.376 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.540 -20.113 15.031 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.479 -17.494 12.900 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.836 -19.129 13.086 1.00 0.00 H new ATOM 1208 N TYR A 76 11.531 -19.106 17.154 1.00 0.00 N ATOM 1209 CA TYR A 76 12.767 -18.503 17.622 1.00 0.00 C ATOM 1210 C TYR A 76 13.862 -18.599 16.556 1.00 0.00 C ATOM 1211 O TYR A 76 13.952 -19.597 15.842 1.00 0.00 O ATOM 1212 CB TYR A 76 13.194 -19.312 18.848 1.00 0.00 C ATOM 1213 CG TYR A 76 12.049 -19.630 19.812 1.00 0.00 C ATOM 1214 CD1 TYR A 76 11.304 -18.606 20.360 1.00 0.00 C ATOM 1215 CD2 TYR A 76 11.762 -20.941 20.135 1.00 0.00 C ATOM 1216 CE1 TYR A 76 10.226 -18.905 21.267 1.00 0.00 C ATOM 1217 CE2 TYR A 76 10.685 -21.240 21.043 1.00 0.00 C ATOM 1218 CZ TYR A 76 9.970 -20.207 21.564 1.00 0.00 C ATOM 1219 OH TYR A 76 8.953 -20.490 22.421 1.00 0.00 O ATOM 0 H TYR A 76 11.655 -19.897 16.522 1.00 0.00 H new ATOM 0 HA TYR A 76 12.617 -17.448 17.849 1.00 0.00 H new ATOM 0 HB2 TYR A 76 13.645 -20.247 18.515 1.00 0.00 H new ATOM 0 HB3 TYR A 76 13.965 -18.759 19.385 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.529 -17.580 20.109 1.00 0.00 H new ATOM 0 HD2 TYR A 76 12.345 -21.743 19.707 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.634 -18.113 21.702 1.00 0.00 H new ATOM 0 HE2 TYR A 76 10.450 -22.261 21.304 1.00 0.00 H new ATOM 0 HH TYR A 76 8.885 -21.460 22.539 1.00 0.00 H new ATOM 1229 N TRP A 77 14.666 -17.549 16.484 1.00 0.00 N ATOM 1230 CA TRP A 77 15.750 -17.502 15.518 1.00 0.00 C ATOM 1231 C TRP A 77 17.020 -17.069 16.253 1.00 0.00 C ATOM 1232 O TRP A 77 16.991 -16.134 17.051 1.00 0.00 O ATOM 1233 CB TRP A 77 15.399 -16.588 14.342 1.00 0.00 C ATOM 1234 CG TRP A 77 14.401 -17.198 13.356 1.00 0.00 C ATOM 1235 CD1 TRP A 77 13.275 -17.870 13.632 1.00 0.00 C ATOM 1236 CD2 TRP A 77 14.485 -17.164 11.916 1.00 0.00 C ATOM 1237 NE1 TRP A 77 12.629 -18.270 12.480 1.00 0.00 N ATOM 1238 CE2 TRP A 77 13.389 -17.827 11.403 1.00 0.00 C ATOM 1239 CE3 TRP A 77 15.455 -16.592 11.074 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 13.159 -17.981 10.030 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 15.211 -16.754 9.705 1.00 0.00 C ATOM 1242 CH2 TRP A 77 14.112 -17.419 9.173 1.00 0.00 C ATOM 0 H TRP A 77 14.589 -16.724 17.079 1.00 0.00 H new ATOM 0 HA TRP A 77 15.919 -18.486 15.081 1.00 0.00 H new ATOM 0 HB2 TRP A 77 14.988 -15.656 14.730 1.00 0.00 H new ATOM 0 HB3 TRP A 77 16.314 -16.334 13.807 1.00 0.00 H new ATOM 0 HD1 TRP A 77 12.918 -18.073 14.631 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.755 -18.794 12.428 1.00 0.00 H new ATOM 0 HE3 TRP A 77 16.320 -16.069 11.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.293 -18.505 9.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 15.926 -16.333 9.014 1.00 0.00 H new ATOM 0 HH2 TRP A 77 13.994 -17.502 8.103 1.00 0.00 H new ATOM 1253 N THR A 78 18.105 -17.770 15.958 1.00 0.00 N ATOM 1254 CA THR A 78 19.383 -17.470 16.581 1.00 0.00 C ATOM 1255 C THR A 78 20.399 -17.027 15.527 1.00 0.00 C ATOM 1256 O THR A 78 20.413 -17.550 14.414 1.00 0.00 O ATOM 1257 CB THR A 78 19.825 -18.703 17.371 1.00 0.00 C ATOM 1258 OG1 THR A 78 18.821 -18.854 18.371 1.00 0.00 O ATOM 1259 CG2 THR A 78 21.110 -18.460 18.166 1.00 0.00 C ATOM 0 H THR A 78 18.125 -18.545 15.295 1.00 0.00 H new ATOM 0 HA THR A 78 19.298 -16.635 17.276 1.00 0.00 H new ATOM 0 HB THR A 78 19.975 -19.538 16.686 1.00 0.00 H new ATOM 0 HG1 THR A 78 19.029 -19.633 18.928 1.00 0.00 H new ATOM 0 HG21 THR A 78 21.379 -19.366 18.708 1.00 0.00 H new ATOM 0 HG22 THR A 78 21.916 -18.193 17.482 1.00 0.00 H new ATOM 0 HG23 THR A 78 20.951 -17.647 18.875 1.00 0.00 H new ATOM 1267 N LEU A 79 21.226 -16.066 15.915 1.00 0.00 N ATOM 1268 CA LEU A 79 22.243 -15.547 15.017 1.00 0.00 C ATOM 1269 C LEU A 79 23.624 -15.760 15.640 1.00 0.00 C ATOM 1270 O LEU A 79 23.737 -15.995 16.842 1.00 0.00 O ATOM 1271 CB LEU A 79 21.948 -14.088 14.660 1.00 0.00 C ATOM 1272 CG LEU A 79 22.721 -13.520 13.468 1.00 0.00 C ATOM 1273 CD1 LEU A 79 21.765 -12.981 12.402 1.00 0.00 C ATOM 1274 CD2 LEU A 79 23.729 -12.463 13.922 1.00 0.00 C ATOM 0 H LEU A 79 21.212 -15.634 16.839 1.00 0.00 H new ATOM 0 HA LEU A 79 22.231 -16.091 14.073 1.00 0.00 H new ATOM 0 HB2 LEU A 79 20.882 -13.993 14.455 1.00 0.00 H new ATOM 0 HB3 LEU A 79 22.161 -13.471 15.533 1.00 0.00 H new ATOM 0 HG LEU A 79 23.289 -14.330 13.011 1.00 0.00 H new ATOM 0 HD11 LEU A 79 22.340 -12.583 11.566 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.122 -13.787 12.049 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.152 -12.188 12.831 1.00 0.00 H new ATOM 0 HD21 LEU A 79 24.265 -12.075 13.056 1.00 0.00 H new ATOM 0 HD22 LEU A 79 23.203 -11.647 14.418 1.00 0.00 H new ATOM 0 HD23 LEU A 79 24.439 -12.912 14.617 1.00 0.00 H new ATOM 1286 N ASP A 80 24.640 -15.671 14.794 1.00 0.00 N ATOM 1287 CA ASP A 80 26.009 -15.852 15.246 1.00 0.00 C ATOM 1288 C ASP A 80 26.514 -14.546 15.863 1.00 0.00 C ATOM 1289 O ASP A 80 26.161 -13.461 15.403 1.00 0.00 O ATOM 1290 CB ASP A 80 26.931 -16.213 14.080 1.00 0.00 C ATOM 1291 CG ASP A 80 28.194 -16.984 14.469 1.00 0.00 C ATOM 1292 OD1 ASP A 80 28.070 -18.212 14.665 1.00 0.00 O ATOM 1293 OD2 ASP A 80 29.254 -16.328 14.562 1.00 0.00 O ATOM 0 H ASP A 80 24.542 -15.476 13.798 1.00 0.00 H new ATOM 0 HA ASP A 80 26.019 -16.661 15.976 1.00 0.00 H new ATOM 0 HB2 ASP A 80 26.367 -16.808 13.361 1.00 0.00 H new ATOM 0 HB3 ASP A 80 27.226 -15.295 13.572 1.00 0.00 H new ATOM 1298 N PRO A 81 27.354 -14.698 16.921 1.00 0.00 N ATOM 1299 CA PRO A 81 27.912 -13.543 17.606 1.00 0.00 C ATOM 1300 C PRO A 81 29.021 -12.896 16.774 1.00 0.00 C ATOM 1301 O PRO A 81 30.203 -13.142 17.010 1.00 0.00 O ATOM 1302 CB PRO A 81 28.405 -14.077 18.940 1.00 0.00 C ATOM 1303 CG PRO A 81 28.529 -15.583 18.767 1.00 0.00 C ATOM 1304 CD PRO A 81 27.794 -15.967 17.493 1.00 0.00 C ATOM 0 HA PRO A 81 27.181 -12.749 17.756 1.00 0.00 H new ATOM 0 HB2 PRO A 81 29.365 -13.634 19.207 1.00 0.00 H new ATOM 0 HB3 PRO A 81 27.707 -13.832 19.741 1.00 0.00 H new ATOM 0 HG2 PRO A 81 29.577 -15.875 18.706 1.00 0.00 H new ATOM 0 HG3 PRO A 81 28.103 -16.102 19.625 1.00 0.00 H new ATOM 0 HD2 PRO A 81 28.447 -16.505 16.806 1.00 0.00 H new ATOM 0 HD3 PRO A 81 26.948 -16.620 17.706 1.00 0.00 H new ATOM 1312 N GLN A 82 28.600 -12.081 15.817 1.00 0.00 N ATOM 1313 CA GLN A 82 29.543 -11.397 14.949 1.00 0.00 C ATOM 1314 C GLN A 82 28.828 -10.859 13.708 1.00 0.00 C ATOM 1315 O GLN A 82 29.336 -10.977 12.594 1.00 0.00 O ATOM 1316 CB GLN A 82 30.699 -12.321 14.558 1.00 0.00 C ATOM 1317 CG GLN A 82 32.006 -11.871 15.214 1.00 0.00 C ATOM 1318 CD GLN A 82 33.207 -12.201 14.326 1.00 0.00 C ATOM 1319 OE1 GLN A 82 33.524 -11.499 13.380 1.00 0.00 O ATOM 1320 NE2 GLN A 82 33.856 -13.306 14.683 1.00 0.00 N ATOM 0 H GLN A 82 27.619 -11.879 15.624 1.00 0.00 H new ATOM 0 HA GLN A 82 29.964 -10.554 15.496 1.00 0.00 H new ATOM 0 HB2 GLN A 82 30.470 -13.343 14.859 1.00 0.00 H new ATOM 0 HB3 GLN A 82 30.815 -12.326 13.474 1.00 0.00 H new ATOM 0 HG2 GLN A 82 31.972 -10.798 15.402 1.00 0.00 H new ATOM 0 HG3 GLN A 82 32.119 -12.361 16.181 1.00 0.00 H new ATOM 0 HE21 GLN A 82 33.537 -13.848 15.486 1.00 0.00 H new ATOM 0 HE22 GLN A 82 34.673 -13.611 14.153 1.00 0.00 H new ATOM 1329 N SER A 83 27.661 -10.278 13.943 1.00 0.00 N ATOM 1330 CA SER A 83 26.871 -9.721 12.858 1.00 0.00 C ATOM 1331 C SER A 83 27.516 -8.430 12.350 1.00 0.00 C ATOM 1332 O SER A 83 27.770 -8.287 11.155 1.00 0.00 O ATOM 1333 CB SER A 83 25.432 -9.456 13.304 1.00 0.00 C ATOM 1334 OG SER A 83 25.362 -8.446 14.307 1.00 0.00 O ATOM 0 H SER A 83 27.243 -10.181 14.868 1.00 0.00 H new ATOM 0 HA SER A 83 26.843 -10.449 12.047 1.00 0.00 H new ATOM 0 HB2 SER A 83 24.835 -9.154 12.443 1.00 0.00 H new ATOM 0 HB3 SER A 83 24.995 -10.378 13.687 1.00 0.00 H new ATOM 0 HG SER A 83 24.427 -8.305 14.564 1.00 0.00 H new ATOM 1340 N GLU A 84 27.761 -7.522 13.283 1.00 0.00 N ATOM 1341 CA GLU A 84 28.372 -6.248 12.945 1.00 0.00 C ATOM 1342 C GLU A 84 29.710 -6.471 12.237 1.00 0.00 C ATOM 1343 O GLU A 84 29.934 -5.947 11.147 1.00 0.00 O ATOM 1344 CB GLU A 84 28.549 -5.377 14.191 1.00 0.00 C ATOM 1345 CG GLU A 84 28.656 -3.898 13.816 1.00 0.00 C ATOM 1346 CD GLU A 84 27.357 -3.156 14.136 1.00 0.00 C ATOM 1347 OE1 GLU A 84 26.787 -3.446 15.210 1.00 0.00 O ATOM 1348 OE2 GLU A 84 26.962 -2.316 13.299 1.00 0.00 O ATOM 0 H GLU A 84 27.547 -7.643 14.273 1.00 0.00 H new ATOM 0 HA GLU A 84 27.707 -5.718 12.263 1.00 0.00 H new ATOM 0 HB2 GLU A 84 27.705 -5.525 14.865 1.00 0.00 H new ATOM 0 HB3 GLU A 84 29.445 -5.685 14.730 1.00 0.00 H new ATOM 0 HG2 GLU A 84 29.483 -3.441 14.358 1.00 0.00 H new ATOM 0 HG3 GLU A 84 28.881 -3.804 12.754 1.00 0.00 H new ATOM 1355 N ASP A 85 30.563 -7.250 12.886 1.00 0.00 N ATOM 1356 CA ASP A 85 31.873 -7.549 12.332 1.00 0.00 C ATOM 1357 C ASP A 85 31.704 -8.184 10.950 1.00 0.00 C ATOM 1358 O ASP A 85 32.445 -7.865 10.022 1.00 0.00 O ATOM 1359 CB ASP A 85 32.633 -8.538 13.218 1.00 0.00 C ATOM 1360 CG ASP A 85 33.143 -7.962 14.540 1.00 0.00 C ATOM 1361 OD1 ASP A 85 33.868 -6.946 14.474 1.00 0.00 O ATOM 1362 OD2 ASP A 85 32.796 -8.550 15.587 1.00 0.00 O ATOM 0 H ASP A 85 30.373 -7.683 13.790 1.00 0.00 H new ATOM 0 HA ASP A 85 32.434 -6.617 12.270 1.00 0.00 H new ATOM 0 HB2 ASP A 85 31.980 -9.384 13.435 1.00 0.00 H new ATOM 0 HB3 ASP A 85 33.483 -8.927 12.657 1.00 0.00 H new ATOM 1367 N MET A 86 30.725 -9.073 10.858 1.00 0.00 N ATOM 1368 CA MET A 86 30.450 -9.756 9.606 1.00 0.00 C ATOM 1369 C MET A 86 30.035 -8.762 8.519 1.00 0.00 C ATOM 1370 O MET A 86 30.626 -8.733 7.441 1.00 0.00 O ATOM 1371 CB MET A 86 29.332 -10.779 9.817 1.00 0.00 C ATOM 1372 CG MET A 86 28.940 -11.443 8.496 1.00 0.00 C ATOM 1373 SD MET A 86 27.298 -12.132 8.623 1.00 0.00 S ATOM 1374 CE MET A 86 26.331 -10.632 8.613 1.00 0.00 C ATOM 0 H MET A 86 30.113 -9.336 11.631 1.00 0.00 H new ATOM 0 HA MET A 86 31.360 -10.261 9.282 1.00 0.00 H new ATOM 0 HB2 MET A 86 29.659 -11.539 10.527 1.00 0.00 H new ATOM 0 HB3 MET A 86 28.462 -10.288 10.253 1.00 0.00 H new ATOM 0 HG2 MET A 86 28.975 -10.713 7.688 1.00 0.00 H new ATOM 0 HG3 MET A 86 29.655 -12.228 8.248 1.00 0.00 H new ATOM 0 HE1 MET A 86 25.755 -10.564 9.536 1.00 0.00 H new ATOM 0 HE2 MET A 86 26.995 -9.771 8.536 1.00 0.00 H new ATOM 0 HE3 MET A 86 25.651 -10.643 7.761 1.00 0.00 H new ATOM 1384 N PHE A 87 29.020 -7.973 8.840 1.00 0.00 N ATOM 1385 CA PHE A 87 28.518 -6.981 7.905 1.00 0.00 C ATOM 1386 C PHE A 87 29.640 -6.054 7.435 1.00 0.00 C ATOM 1387 O PHE A 87 29.724 -5.724 6.253 1.00 0.00 O ATOM 1388 CB PHE A 87 27.468 -6.155 8.650 1.00 0.00 C ATOM 1389 CG PHE A 87 26.028 -6.607 8.400 1.00 0.00 C ATOM 1390 CD1 PHE A 87 25.597 -6.834 7.130 1.00 0.00 C ATOM 1391 CD2 PHE A 87 25.179 -6.783 9.448 1.00 0.00 C ATOM 1392 CE1 PHE A 87 24.260 -7.254 6.898 1.00 0.00 C ATOM 1393 CE2 PHE A 87 23.842 -7.203 9.216 1.00 0.00 C ATOM 1394 CZ PHE A 87 23.411 -7.430 7.946 1.00 0.00 C ATOM 0 H PHE A 87 28.532 -8.001 9.735 1.00 0.00 H new ATOM 0 HA PHE A 87 28.100 -7.475 7.028 1.00 0.00 H new ATOM 0 HB2 PHE A 87 27.673 -6.205 9.719 1.00 0.00 H new ATOM 0 HB3 PHE A 87 27.566 -5.110 8.355 1.00 0.00 H new ATOM 0 HD1 PHE A 87 26.271 -6.695 6.298 1.00 0.00 H new ATOM 0 HD2 PHE A 87 25.521 -6.603 10.456 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.918 -7.434 5.890 1.00 0.00 H new ATOM 0 HE2 PHE A 87 23.168 -7.342 10.048 1.00 0.00 H new ATOM 0 HZ PHE A 87 22.395 -7.750 7.770 1.00 0.00 H new