USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 567 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 28 SER OG : rot 87:sc= 1.71 USER MOD Set 1.2: A 33 CYS SG : rot 120:sc= 0.49 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -176:sc= 1.11 (180deg=1.07) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -66:sc= 0.504 USER MOD Single : A 13 ASN : amide:sc= -0.0549 K(o=-0.055,f=-0.79) USER MOD Single : A 15 SER OG : rot 180:sc= 0.236 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0394 USER MOD Single : A 25 GLN : amide:sc= -0.0813 X(o=-0.081,f=-0.19) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -146:sc= 1.02 (180deg=0.0235) USER MOD Single : A 35 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.047) USER MOD Single : A 36 CYS SG : rot 127:sc= 1.27 USER MOD Single : A 37 LYS NZ :NH3+ -129:sc= -0.211 (180deg=-1.26) USER MOD Single : A 38 MET CE :methyl 137:sc= -2.84! (180deg=-3.25!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 11:sc= 0.366 USER MOD Single : A 54 HIS : no HD1:sc= -0.309 X(o=-0.31,f=-0.52) USER MOD Single : A 56 HIS : no HE2:sc= 0.195 K(o=0.19,f=-0.82) USER MOD Single : A 58 HIS : no HE2:sc= 0.11 K(o=0.11,f=-5!) USER MOD Single : A 66 MET CE :methyl -167:sc= -0.756 (180deg=-0.859) USER MOD Single : A 67 ASN : amide:sc= 0.608 K(o=0.61,f=-5.5!) USER MOD Single : A 70 LYS NZ :NH3+ 175:sc=-0.00359 (180deg=-0.0667) USER MOD Single : A 72 MET CE :methyl 164:sc= 0 (180deg=-0.274) USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= 0.278 (180deg=0.265) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 62 N MET A 5 -4.001 -11.415 -1.650 1.00 0.00 N ATOM 63 CA MET A 5 -3.600 -10.411 -0.683 1.00 0.00 C ATOM 64 C MET A 5 -4.215 -9.064 -1.026 1.00 0.00 C ATOM 65 O MET A 5 -3.586 -8.243 -1.689 1.00 0.00 O ATOM 66 CB MET A 5 -2.073 -10.288 -0.639 1.00 0.00 C ATOM 67 CG MET A 5 -1.370 -11.568 -0.224 1.00 0.00 C ATOM 68 SD MET A 5 0.425 -11.397 -0.174 1.00 0.00 S ATOM 69 CE MET A 5 0.892 -13.024 0.411 1.00 0.00 C ATOM 0 HA MET A 5 -3.958 -10.723 0.298 1.00 0.00 H new ATOM 0 HB2 MET A 5 -1.713 -9.989 -1.623 1.00 0.00 H new ATOM 0 HB3 MET A 5 -1.801 -9.493 0.055 1.00 0.00 H new ATOM 0 HG2 MET A 5 -1.729 -11.871 0.760 1.00 0.00 H new ATOM 0 HG3 MET A 5 -1.635 -12.364 -0.920 1.00 0.00 H new ATOM 0 HE1 MET A 5 1.977 -13.082 0.497 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.441 -13.203 1.387 1.00 0.00 H new ATOM 0 HE3 MET A 5 0.543 -13.778 -0.294 1.00 0.00 H new ATOM 79 N PRO A 6 -5.466 -8.825 -0.597 1.00 0.00 N ATOM 80 CA PRO A 6 -6.133 -7.542 -0.806 1.00 0.00 C ATOM 81 C PRO A 6 -5.346 -6.396 -0.181 1.00 0.00 C ATOM 82 O PRO A 6 -5.336 -6.220 1.039 1.00 0.00 O ATOM 83 CB PRO A 6 -7.497 -7.704 -0.121 1.00 0.00 C ATOM 84 CG PRO A 6 -7.384 -8.926 0.729 1.00 0.00 C ATOM 85 CD PRO A 6 -6.325 -9.787 0.108 1.00 0.00 C ATOM 0 HA PRO A 6 -6.222 -7.297 -1.864 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.738 -6.829 0.483 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.294 -7.812 -0.857 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.117 -8.662 1.752 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.336 -9.455 0.774 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.768 -10.344 0.862 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.754 -10.518 -0.577 1.00 0.00 H new ATOM 93 N LYS A 7 -4.652 -5.645 -1.021 1.00 0.00 N ATOM 94 CA LYS A 7 -3.844 -4.528 -0.555 1.00 0.00 C ATOM 95 C LYS A 7 -4.686 -3.262 -0.496 1.00 0.00 C ATOM 96 O LYS A 7 -4.218 -2.207 -0.069 1.00 0.00 O ATOM 97 CB LYS A 7 -2.638 -4.317 -1.478 1.00 0.00 C ATOM 98 CG LYS A 7 -1.767 -5.556 -1.638 1.00 0.00 C ATOM 99 CD LYS A 7 -0.654 -5.336 -2.652 1.00 0.00 C ATOM 100 CE LYS A 7 0.403 -4.371 -2.135 1.00 0.00 C ATOM 101 NZ LYS A 7 1.245 -4.982 -1.070 1.00 0.00 N ATOM 0 H LYS A 7 -4.632 -5.788 -2.031 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.479 -4.757 0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.993 -4.004 -2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.029 -3.503 -1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.333 -5.823 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.385 -6.397 -1.953 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.187 -6.291 -2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.078 -4.948 -3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.039 -4.053 -2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.083 -3.477 -1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.906 -4.270 -0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.636 -5.324 -0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.782 -5.780 -1.467 1.00 0.00 H new ATOM 115 N THR A 8 -5.930 -3.380 -0.933 1.00 0.00 N ATOM 116 CA THR A 8 -6.852 -2.264 -0.945 1.00 0.00 C ATOM 117 C THR A 8 -7.909 -2.439 0.144 1.00 0.00 C ATOM 118 O THR A 8 -8.417 -3.541 0.360 1.00 0.00 O ATOM 119 CB THR A 8 -7.543 -2.149 -2.317 1.00 0.00 C ATOM 120 OG1 THR A 8 -6.562 -2.215 -3.359 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.318 -0.847 -2.434 1.00 0.00 C ATOM 0 H THR A 8 -6.325 -4.251 -1.288 1.00 0.00 H new ATOM 0 HA THR A 8 -6.286 -1.352 -0.754 1.00 0.00 H new ATOM 0 HB THR A 8 -8.245 -2.977 -2.414 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.005 -2.143 -4.230 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.795 -0.794 -3.413 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.081 -0.806 -1.656 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.635 -0.005 -2.317 1.00 0.00 H new ATOM 129 N LEU A 9 -8.216 -1.360 0.847 1.00 0.00 N ATOM 130 CA LEU A 9 -9.268 -1.379 1.849 1.00 0.00 C ATOM 131 C LEU A 9 -10.502 -0.675 1.312 1.00 0.00 C ATOM 132 O LEU A 9 -10.414 0.423 0.757 1.00 0.00 O ATOM 133 CB LEU A 9 -8.809 -0.720 3.156 1.00 0.00 C ATOM 134 CG LEU A 9 -7.828 -1.537 4.010 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.370 -2.937 4.260 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.456 -1.604 3.360 1.00 0.00 C ATOM 0 H LEU A 9 -7.750 -0.459 0.741 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.510 -2.419 2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.342 0.235 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.690 -0.501 3.759 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.720 -1.031 4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.660 -3.499 4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.323 -2.870 4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.516 -3.446 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.784 -2.189 3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.540 -2.076 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.059 -0.596 3.244 1.00 0.00 H new ATOM 148 N TYR A 10 -11.643 -1.323 1.469 1.00 0.00 N ATOM 149 CA TYR A 10 -12.905 -0.794 0.986 1.00 0.00 C ATOM 150 C TYR A 10 -13.594 -0.013 2.091 1.00 0.00 C ATOM 151 O TYR A 10 -14.200 -0.598 2.988 1.00 0.00 O ATOM 152 CB TYR A 10 -13.800 -1.942 0.514 1.00 0.00 C ATOM 153 CG TYR A 10 -15.099 -1.498 -0.122 1.00 0.00 C ATOM 154 CD1 TYR A 10 -15.148 -1.161 -1.465 1.00 0.00 C ATOM 155 CD2 TYR A 10 -16.275 -1.427 0.616 1.00 0.00 C ATOM 156 CE1 TYR A 10 -16.329 -0.766 -2.059 1.00 0.00 C ATOM 157 CE2 TYR A 10 -17.461 -1.030 0.030 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.482 -0.702 -1.307 1.00 0.00 C ATOM 159 OH TYR A 10 -18.663 -0.314 -1.901 1.00 0.00 O ATOM 0 H TYR A 10 -11.720 -2.228 1.933 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.717 -0.124 0.147 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.246 -2.548 -0.203 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.027 -2.584 1.365 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -14.246 -1.208 -2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -16.261 -1.686 1.664 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -16.350 -0.508 -3.108 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.366 -0.977 0.617 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.597 0.623 -2.180 1.00 0.00 H new ATOM 169 N VAL A 11 -13.482 1.303 2.040 1.00 0.00 N ATOM 170 CA VAL A 11 -14.103 2.150 3.045 1.00 0.00 C ATOM 171 C VAL A 11 -15.374 2.777 2.500 1.00 0.00 C ATOM 172 O VAL A 11 -15.334 3.563 1.557 1.00 0.00 O ATOM 173 CB VAL A 11 -13.157 3.268 3.530 1.00 0.00 C ATOM 174 CG1 VAL A 11 -13.821 4.097 4.624 1.00 0.00 C ATOM 175 CG2 VAL A 11 -11.850 2.677 4.025 1.00 0.00 C ATOM 0 H VAL A 11 -12.969 1.807 1.317 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.338 1.509 3.895 1.00 0.00 H new ATOM 0 HB VAL A 11 -12.941 3.926 2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.138 4.880 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.732 4.551 4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.068 3.454 5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.193 3.478 4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.049 1.997 4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.368 2.131 3.214 1.00 0.00 H new ATOM 185 N GLY A 12 -16.497 2.405 3.081 1.00 0.00 N ATOM 186 CA GLY A 12 -17.762 2.984 2.691 1.00 0.00 C ATOM 187 C GLY A 12 -18.236 4.005 3.697 1.00 0.00 C ATOM 188 O GLY A 12 -17.598 4.187 4.739 1.00 0.00 O ATOM 0 H GLY A 12 -16.557 1.707 3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.662 3.454 1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.509 2.196 2.591 1.00 0.00 H new ATOM 192 N ASN A 13 -19.346 4.665 3.383 1.00 0.00 N ATOM 193 CA ASN A 13 -19.949 5.664 4.265 1.00 0.00 C ATOM 194 C ASN A 13 -19.128 6.946 4.291 1.00 0.00 C ATOM 195 O ASN A 13 -18.664 7.383 5.342 1.00 0.00 O ATOM 196 CB ASN A 13 -20.148 5.125 5.689 1.00 0.00 C ATOM 197 CG ASN A 13 -21.344 4.198 5.816 1.00 0.00 C ATOM 198 OD1 ASN A 13 -21.733 3.520 4.864 1.00 0.00 O ATOM 199 ND2 ASN A 13 -21.932 4.152 7.003 1.00 0.00 N ATOM 0 H ASN A 13 -19.855 4.524 2.510 1.00 0.00 H new ATOM 0 HA ASN A 13 -20.933 5.894 3.856 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -19.249 4.592 5.998 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -20.272 5.964 6.374 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -22.735 3.540 7.151 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -21.582 4.728 7.768 1.00 0.00 H new ATOM 206 N LEU A 14 -18.962 7.553 3.126 1.00 0.00 N ATOM 207 CA LEU A 14 -18.265 8.827 3.025 1.00 0.00 C ATOM 208 C LEU A 14 -19.221 9.991 3.252 1.00 0.00 C ATOM 209 O LEU A 14 -20.415 9.803 3.475 1.00 0.00 O ATOM 210 CB LEU A 14 -17.590 8.977 1.659 1.00 0.00 C ATOM 211 CG LEU A 14 -16.348 8.115 1.439 1.00 0.00 C ATOM 212 CD1 LEU A 14 -15.804 8.321 0.035 1.00 0.00 C ATOM 213 CD2 LEU A 14 -15.280 8.433 2.476 1.00 0.00 C ATOM 0 H LEU A 14 -19.300 7.184 2.237 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.499 8.842 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -18.319 8.737 0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.314 10.023 1.523 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.632 7.069 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.919 7.700 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.564 8.041 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.538 9.369 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.405 7.808 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.998 9.483 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.672 8.237 3.474 1.00 0.00 H new ATOM 225 N SER A 15 -18.679 11.193 3.207 1.00 0.00 N ATOM 226 CA SER A 15 -19.458 12.402 3.380 1.00 0.00 C ATOM 227 C SER A 15 -18.826 13.523 2.575 1.00 0.00 C ATOM 228 O SER A 15 -17.650 13.447 2.220 1.00 0.00 O ATOM 229 CB SER A 15 -19.511 12.773 4.867 1.00 0.00 C ATOM 230 OG SER A 15 -20.130 14.033 5.071 1.00 0.00 O ATOM 0 H SER A 15 -17.685 11.358 3.049 1.00 0.00 H new ATOM 0 HA SER A 15 -20.476 12.241 3.026 1.00 0.00 H new ATOM 0 HB2 SER A 15 -20.058 12.006 5.414 1.00 0.00 H new ATOM 0 HB3 SER A 15 -18.500 12.794 5.273 1.00 0.00 H new ATOM 0 HG SER A 15 -20.148 14.237 6.029 1.00 0.00 H new ATOM 236 N ARG A 16 -19.604 14.559 2.288 1.00 0.00 N ATOM 237 CA ARG A 16 -19.080 15.735 1.605 1.00 0.00 C ATOM 238 C ARG A 16 -18.166 16.513 2.547 1.00 0.00 C ATOM 239 O ARG A 16 -17.480 17.446 2.140 1.00 0.00 O ATOM 240 CB ARG A 16 -20.212 16.646 1.097 1.00 0.00 C ATOM 241 CG ARG A 16 -20.900 17.470 2.180 1.00 0.00 C ATOM 242 CD ARG A 16 -21.709 16.601 3.128 1.00 0.00 C ATOM 243 NE ARG A 16 -22.254 17.361 4.248 1.00 0.00 N ATOM 244 CZ ARG A 16 -23.104 16.860 5.138 1.00 0.00 C ATOM 245 NH1 ARG A 16 -23.494 15.594 5.059 1.00 0.00 N ATOM 246 NH2 ARG A 16 -23.564 17.626 6.117 1.00 0.00 N ATOM 0 H ARG A 16 -20.597 14.609 2.517 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.512 15.397 0.738 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -19.805 17.324 0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.960 16.030 0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -20.150 18.023 2.746 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -21.555 18.206 1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -22.525 16.131 2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.078 15.798 3.509 1.00 0.00 H new ATOM 0 HE ARG A 16 -21.966 18.334 4.354 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -23.141 14.997 4.311 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -24.147 15.218 5.746 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -23.265 18.599 6.187 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -24.217 17.243 6.801 1.00 0.00 H new ATOM 260 N ASP A 17 -18.180 16.118 3.816 1.00 0.00 N ATOM 261 CA ASP A 17 -17.328 16.732 4.826 1.00 0.00 C ATOM 262 C ASP A 17 -16.084 15.871 5.051 1.00 0.00 C ATOM 263 O ASP A 17 -15.229 16.175 5.885 1.00 0.00 O ATOM 264 CB ASP A 17 -18.119 16.901 6.128 1.00 0.00 C ATOM 265 CG ASP A 17 -17.451 17.843 7.106 1.00 0.00 C ATOM 266 OD1 ASP A 17 -17.434 17.536 8.318 1.00 0.00 O ATOM 267 OD2 ASP A 17 -16.959 18.906 6.671 1.00 0.00 O ATOM 0 H ASP A 17 -18.777 15.370 4.170 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.005 17.715 4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -19.116 17.275 5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.246 15.926 6.599 1.00 0.00 H new ATOM 272 N VAL A 18 -15.988 14.791 4.283 1.00 0.00 N ATOM 273 CA VAL A 18 -14.858 13.878 4.367 1.00 0.00 C ATOM 274 C VAL A 18 -13.915 14.089 3.186 1.00 0.00 C ATOM 275 O VAL A 18 -14.254 13.789 2.044 1.00 0.00 O ATOM 276 CB VAL A 18 -15.320 12.401 4.397 1.00 0.00 C ATOM 277 CG1 VAL A 18 -14.129 11.458 4.353 1.00 0.00 C ATOM 278 CG2 VAL A 18 -16.161 12.124 5.634 1.00 0.00 C ATOM 0 H VAL A 18 -16.688 14.526 3.589 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.334 14.094 5.298 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.932 12.226 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.481 10.427 4.375 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.563 11.629 3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.488 11.641 5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.475 11.080 5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.571 12.326 6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.041 12.767 5.627 1.00 0.00 H new ATOM 288 N THR A 19 -12.736 14.617 3.472 1.00 0.00 N ATOM 289 CA THR A 19 -11.737 14.860 2.445 1.00 0.00 C ATOM 290 C THR A 19 -10.807 13.658 2.290 1.00 0.00 C ATOM 291 O THR A 19 -10.516 12.948 3.261 1.00 0.00 O ATOM 292 CB THR A 19 -10.906 16.127 2.759 1.00 0.00 C ATOM 293 OG1 THR A 19 -9.778 16.215 1.879 1.00 0.00 O ATOM 294 CG2 THR A 19 -10.428 16.136 4.203 1.00 0.00 C ATOM 0 H THR A 19 -12.447 14.887 4.412 1.00 0.00 H new ATOM 0 HA THR A 19 -12.269 15.017 1.507 1.00 0.00 H new ATOM 0 HB THR A 19 -11.554 16.990 2.607 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.262 17.022 2.088 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.848 17.040 4.389 1.00 0.00 H new ATOM 0 HG22 THR A 19 -11.289 16.114 4.871 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.804 15.261 4.385 1.00 0.00 H new ATOM 302 N GLU A 20 -10.349 13.442 1.058 1.00 0.00 N ATOM 303 CA GLU A 20 -9.419 12.361 0.742 1.00 0.00 C ATOM 304 C GLU A 20 -8.131 12.521 1.537 1.00 0.00 C ATOM 305 O GLU A 20 -7.532 11.540 1.980 1.00 0.00 O ATOM 306 CB GLU A 20 -9.103 12.368 -0.755 1.00 0.00 C ATOM 307 CG GLU A 20 -8.221 11.211 -1.204 1.00 0.00 C ATOM 308 CD GLU A 20 -7.803 11.318 -2.655 1.00 0.00 C ATOM 309 OE1 GLU A 20 -6.600 11.536 -2.917 1.00 0.00 O ATOM 310 OE2 GLU A 20 -8.671 11.193 -3.542 1.00 0.00 O ATOM 0 H GLU A 20 -10.612 14.010 0.253 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.884 11.412 1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.038 12.337 -1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.611 13.307 -1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.331 11.175 -0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.756 10.273 -1.053 1.00 0.00 H new ATOM 317 N ALA A 21 -7.727 13.773 1.731 1.00 0.00 N ATOM 318 CA ALA A 21 -6.500 14.095 2.449 1.00 0.00 C ATOM 319 C ALA A 21 -6.549 13.571 3.878 1.00 0.00 C ATOM 320 O ALA A 21 -5.533 13.162 4.436 1.00 0.00 O ATOM 321 CB ALA A 21 -6.278 15.599 2.449 1.00 0.00 C ATOM 0 H ALA A 21 -8.239 14.589 1.396 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.668 13.610 1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.359 15.831 2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.196 15.955 1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.119 16.091 2.938 1.00 0.00 H new ATOM 327 N LEU A 22 -7.738 13.582 4.462 1.00 0.00 N ATOM 328 CA LEU A 22 -7.925 13.094 5.818 1.00 0.00 C ATOM 329 C LEU A 22 -7.883 11.574 5.844 1.00 0.00 C ATOM 330 O LEU A 22 -7.109 10.979 6.594 1.00 0.00 O ATOM 331 CB LEU A 22 -9.257 13.594 6.379 1.00 0.00 C ATOM 332 CG LEU A 22 -9.622 13.072 7.770 1.00 0.00 C ATOM 333 CD1 LEU A 22 -8.578 13.487 8.794 1.00 0.00 C ATOM 334 CD2 LEU A 22 -10.998 13.571 8.176 1.00 0.00 C ATOM 0 H LEU A 22 -8.589 13.925 4.016 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.115 13.475 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.231 14.683 6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.051 13.316 5.686 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.645 11.983 7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.859 13.105 9.775 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.608 13.080 8.510 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.518 14.575 8.832 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.245 13.192 9.168 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.999 14.661 8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.739 13.219 7.458 1.00 0.00 H new ATOM 346 N ILE A 23 -8.711 10.959 5.004 1.00 0.00 N ATOM 347 CA ILE A 23 -8.798 9.505 4.929 1.00 0.00 C ATOM 348 C ILE A 23 -7.425 8.884 4.697 1.00 0.00 C ATOM 349 O ILE A 23 -6.990 8.013 5.453 1.00 0.00 O ATOM 350 CB ILE A 23 -9.764 9.059 3.808 1.00 0.00 C ATOM 351 CG1 ILE A 23 -11.189 9.516 4.126 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.723 7.547 3.615 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.729 8.965 5.432 1.00 0.00 C ATOM 0 H ILE A 23 -9.334 11.449 4.362 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.186 9.156 5.886 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.441 9.526 2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.212 10.605 4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.849 9.212 3.313 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.413 7.263 2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.712 7.242 3.345 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.015 7.054 4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.743 9.332 5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.740 7.876 5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.093 9.291 6.255 1.00 0.00 H new ATOM 365 N LEU A 24 -6.735 9.357 3.670 1.00 0.00 N ATOM 366 CA LEU A 24 -5.439 8.805 3.309 1.00 0.00 C ATOM 367 C LEU A 24 -4.419 9.017 4.413 1.00 0.00 C ATOM 368 O LEU A 24 -3.648 8.114 4.717 1.00 0.00 O ATOM 369 CB LEU A 24 -4.936 9.406 1.994 1.00 0.00 C ATOM 370 CG LEU A 24 -5.348 8.642 0.732 1.00 0.00 C ATOM 371 CD1 LEU A 24 -4.741 7.245 0.739 1.00 0.00 C ATOM 372 CD2 LEU A 24 -6.864 8.563 0.616 1.00 0.00 C ATOM 0 H LEU A 24 -7.051 10.121 3.073 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.568 7.731 3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.303 10.430 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.848 9.459 2.029 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.970 9.184 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.042 6.713 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.654 7.321 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.092 6.700 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.132 8.016 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.269 8.046 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.278 9.570 0.567 1.00 0.00 H new ATOM 384 N GLN A 25 -4.428 10.192 5.031 1.00 0.00 N ATOM 385 CA GLN A 25 -3.459 10.505 6.077 1.00 0.00 C ATOM 386 C GLN A 25 -3.648 9.584 7.280 1.00 0.00 C ATOM 387 O GLN A 25 -2.673 9.116 7.872 1.00 0.00 O ATOM 388 CB GLN A 25 -3.581 11.965 6.512 1.00 0.00 C ATOM 389 CG GLN A 25 -2.457 12.421 7.427 1.00 0.00 C ATOM 390 CD GLN A 25 -1.106 12.411 6.736 1.00 0.00 C ATOM 391 OE1 GLN A 25 -0.383 11.418 6.784 1.00 0.00 O ATOM 392 NE2 GLN A 25 -0.762 13.506 6.076 1.00 0.00 N ATOM 0 H GLN A 25 -5.091 10.940 4.828 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.461 10.347 5.668 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.598 12.600 5.626 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.534 12.105 7.022 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.671 13.428 7.786 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.419 11.772 8.302 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.390 14.310 6.060 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.131 13.546 5.584 1.00 0.00 H new ATOM 401 N LEU A 26 -4.902 9.322 7.627 1.00 0.00 N ATOM 402 CA LEU A 26 -5.215 8.421 8.728 1.00 0.00 C ATOM 403 C LEU A 26 -4.670 7.026 8.451 1.00 0.00 C ATOM 404 O LEU A 26 -4.052 6.406 9.315 1.00 0.00 O ATOM 405 CB LEU A 26 -6.717 8.365 8.965 1.00 0.00 C ATOM 406 CG LEU A 26 -7.336 9.677 9.441 1.00 0.00 C ATOM 407 CD1 LEU A 26 -8.778 9.453 9.829 1.00 0.00 C ATOM 408 CD2 LEU A 26 -6.551 10.254 10.611 1.00 0.00 C ATOM 0 H LEU A 26 -5.718 9.720 7.162 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.737 8.806 9.629 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.206 8.063 8.039 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.926 7.591 9.703 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.297 10.397 8.624 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.214 10.393 10.168 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.334 9.085 8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.829 8.719 10.633 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.011 11.188 10.932 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.556 9.544 11.438 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.523 10.443 10.301 1.00 0.00 H new ATOM 420 N PHE A 27 -4.878 6.549 7.232 1.00 0.00 N ATOM 421 CA PHE A 27 -4.370 5.244 6.833 1.00 0.00 C ATOM 422 C PHE A 27 -2.849 5.266 6.676 1.00 0.00 C ATOM 423 O PHE A 27 -2.180 4.260 6.914 1.00 0.00 O ATOM 424 CB PHE A 27 -5.038 4.779 5.541 1.00 0.00 C ATOM 425 CG PHE A 27 -6.456 4.319 5.734 1.00 0.00 C ATOM 426 CD1 PHE A 27 -7.517 5.067 5.256 1.00 0.00 C ATOM 427 CD2 PHE A 27 -6.726 3.134 6.402 1.00 0.00 C ATOM 428 CE1 PHE A 27 -8.821 4.645 5.439 1.00 0.00 C ATOM 429 CE2 PHE A 27 -8.026 2.705 6.587 1.00 0.00 C ATOM 430 CZ PHE A 27 -9.075 3.463 6.105 1.00 0.00 C ATOM 0 H PHE A 27 -5.393 7.044 6.504 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.614 4.534 7.623 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.024 5.596 4.819 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.455 3.964 5.112 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.324 5.992 4.733 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.909 2.539 6.783 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.640 5.239 5.061 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.222 1.779 7.107 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.093 3.131 6.249 1.00 0.00 H new ATOM 440 N SER A 28 -2.308 6.420 6.295 1.00 0.00 N ATOM 441 CA SER A 28 -0.864 6.591 6.162 1.00 0.00 C ATOM 442 C SER A 28 -0.181 6.440 7.515 1.00 0.00 C ATOM 443 O SER A 28 0.970 6.009 7.597 1.00 0.00 O ATOM 444 CB SER A 28 -0.535 7.963 5.561 1.00 0.00 C ATOM 445 OG SER A 28 -1.074 8.094 4.254 1.00 0.00 O ATOM 0 H SER A 28 -2.851 7.254 6.072 1.00 0.00 H new ATOM 0 HA SER A 28 -0.492 5.817 5.491 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.934 8.749 6.202 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.546 8.098 5.527 1.00 0.00 H new ATOM 0 HG SER A 28 -1.994 8.427 4.311 1.00 0.00 H new ATOM 451 N GLN A 29 -0.899 6.800 8.575 1.00 0.00 N ATOM 452 CA GLN A 29 -0.389 6.648 9.928 1.00 0.00 C ATOM 453 C GLN A 29 -0.285 5.168 10.290 1.00 0.00 C ATOM 454 O GLN A 29 0.537 4.771 11.121 1.00 0.00 O ATOM 455 CB GLN A 29 -1.299 7.383 10.916 1.00 0.00 C ATOM 456 CG GLN A 29 -0.779 7.387 12.342 1.00 0.00 C ATOM 457 CD GLN A 29 -1.617 8.245 13.266 1.00 0.00 C ATOM 458 OE1 GLN A 29 -2.564 7.768 13.892 1.00 0.00 O ATOM 459 NE2 GLN A 29 -1.278 9.522 13.355 1.00 0.00 N ATOM 0 H GLN A 29 -1.836 7.199 8.520 1.00 0.00 H new ATOM 0 HA GLN A 29 0.608 7.085 9.983 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.425 8.413 10.582 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.286 6.920 10.900 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.759 6.365 12.720 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.249 7.749 12.349 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.486 9.878 12.820 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.809 10.150 13.959 1.00 0.00 H new ATOM 468 N ILE A 30 -1.116 4.350 9.653 1.00 0.00 N ATOM 469 CA ILE A 30 -1.086 2.913 9.876 1.00 0.00 C ATOM 470 C ILE A 30 -0.049 2.255 8.970 1.00 0.00 C ATOM 471 O ILE A 30 0.843 1.554 9.446 1.00 0.00 O ATOM 472 CB ILE A 30 -2.468 2.260 9.632 1.00 0.00 C ATOM 473 CG1 ILE A 30 -3.541 2.931 10.500 1.00 0.00 C ATOM 474 CG2 ILE A 30 -2.412 0.763 9.916 1.00 0.00 C ATOM 475 CD1 ILE A 30 -3.277 2.841 11.990 1.00 0.00 C ATOM 0 H ILE A 30 -1.817 4.659 8.979 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.816 2.757 10.920 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.733 2.401 8.584 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.617 3.981 10.218 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.506 2.473 10.285 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.393 0.322 9.739 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.680 0.295 9.258 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.123 0.600 10.954 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.081 3.339 12.533 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.232 1.794 12.289 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.328 3.326 12.221 1.00 0.00 H new ATOM 487 N GLY A 31 -0.144 2.512 7.672 1.00 0.00 N ATOM 488 CA GLY A 31 0.778 1.915 6.727 1.00 0.00 C ATOM 489 C GLY A 31 1.035 2.804 5.532 1.00 0.00 C ATOM 490 O GLY A 31 0.218 3.673 5.218 1.00 0.00 O ATOM 0 H GLY A 31 -0.845 3.125 7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.722 1.704 7.229 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.377 0.960 6.387 1.00 0.00 H new ATOM 494 N PRO A 32 2.170 2.608 4.846 1.00 0.00 N ATOM 495 CA PRO A 32 2.501 3.365 3.637 1.00 0.00 C ATOM 496 C PRO A 32 1.465 3.152 2.536 1.00 0.00 C ATOM 497 O PRO A 32 1.298 2.038 2.034 1.00 0.00 O ATOM 498 CB PRO A 32 3.864 2.805 3.210 1.00 0.00 C ATOM 499 CG PRO A 32 3.998 1.499 3.920 1.00 0.00 C ATOM 500 CD PRO A 32 3.223 1.640 5.199 1.00 0.00 C ATOM 0 HA PRO A 32 2.518 4.439 3.820 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.912 2.671 2.129 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.671 3.485 3.483 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.604 0.683 3.314 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.045 1.270 4.121 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.803 0.688 5.523 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.850 2.005 6.012 1.00 0.00 H new ATOM 508 N CYS A 33 0.776 4.218 2.167 1.00 0.00 N ATOM 509 CA CYS A 33 -0.282 4.146 1.171 1.00 0.00 C ATOM 510 C CYS A 33 0.296 4.239 -0.237 1.00 0.00 C ATOM 511 O CYS A 33 1.287 4.934 -0.468 1.00 0.00 O ATOM 512 CB CYS A 33 -1.297 5.261 1.411 1.00 0.00 C ATOM 513 SG CYS A 33 -2.065 5.201 3.047 1.00 0.00 S ATOM 0 H CYS A 33 0.932 5.152 2.546 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.787 3.184 1.264 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.802 6.224 1.286 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.076 5.202 0.651 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.815 6.306 3.684 1.00 0.00 H new ATOM 519 N LYS A 34 -0.318 3.521 -1.166 1.00 0.00 N ATOM 520 CA LYS A 34 0.192 3.422 -2.528 1.00 0.00 C ATOM 521 C LYS A 34 -0.739 4.101 -3.529 1.00 0.00 C ATOM 522 O LYS A 34 -0.279 4.754 -4.468 1.00 0.00 O ATOM 523 CB LYS A 34 0.378 1.947 -2.900 1.00 0.00 C ATOM 524 CG LYS A 34 0.859 1.726 -4.323 1.00 0.00 C ATOM 525 CD LYS A 34 0.997 0.247 -4.641 1.00 0.00 C ATOM 526 CE LYS A 34 1.168 0.017 -6.135 1.00 0.00 C ATOM 527 NZ LYS A 34 0.018 0.562 -6.906 1.00 0.00 N ATOM 0 H LYS A 34 -1.176 2.995 -1.001 1.00 0.00 H new ATOM 0 HA LYS A 34 1.152 3.937 -2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.093 1.496 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.569 1.426 -2.762 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.158 2.185 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.820 2.221 -4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.854 -0.164 -4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.115 -0.287 -4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.091 0.489 -6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.265 -1.051 -6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.163 -0.042 -7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.827 0.582 -6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.239 1.527 -7.224 1.00 0.00 H new ATOM 541 N ASN A 35 -2.040 3.944 -3.334 1.00 0.00 N ATOM 542 CA ASN A 35 -3.017 4.487 -4.268 1.00 0.00 C ATOM 543 C ASN A 35 -4.272 4.926 -3.528 1.00 0.00 C ATOM 544 O ASN A 35 -4.603 4.379 -2.474 1.00 0.00 O ATOM 545 CB ASN A 35 -3.379 3.439 -5.327 1.00 0.00 C ATOM 546 CG ASN A 35 -4.278 3.970 -6.432 1.00 0.00 C ATOM 547 OD1 ASN A 35 -5.155 3.262 -6.923 1.00 0.00 O ATOM 548 ND2 ASN A 35 -4.052 5.206 -6.855 1.00 0.00 N ATOM 0 H ASN A 35 -2.443 3.447 -2.540 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.577 5.354 -4.761 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.462 3.053 -5.771 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.875 2.600 -4.840 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.614 5.597 -7.611 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.316 5.766 -6.425 1.00 0.00 H new ATOM 555 N CYS A 36 -4.959 5.911 -4.079 1.00 0.00 N ATOM 556 CA CYS A 36 -6.189 6.409 -3.488 1.00 0.00 C ATOM 557 C CYS A 36 -7.207 6.744 -4.572 1.00 0.00 C ATOM 558 O CYS A 36 -6.883 7.412 -5.558 1.00 0.00 O ATOM 559 CB CYS A 36 -5.904 7.642 -2.624 1.00 0.00 C ATOM 560 SG CYS A 36 -5.074 8.995 -3.491 1.00 0.00 S ATOM 0 H CYS A 36 -4.684 6.384 -4.940 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.607 5.628 -2.853 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -6.846 8.011 -2.220 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.289 7.341 -1.776 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.755 10.092 -3.337 1.00 0.00 H new ATOM 566 N LYS A 37 -8.424 6.246 -4.405 1.00 0.00 N ATOM 567 CA LYS A 37 -9.514 6.558 -5.316 1.00 0.00 C ATOM 568 C LYS A 37 -10.820 6.737 -4.562 1.00 0.00 C ATOM 569 O LYS A 37 -11.350 5.789 -3.982 1.00 0.00 O ATOM 570 CB LYS A 37 -9.697 5.462 -6.371 1.00 0.00 C ATOM 571 CG LYS A 37 -8.692 5.518 -7.509 1.00 0.00 C ATOM 572 CD LYS A 37 -8.850 6.777 -8.363 1.00 0.00 C ATOM 573 CE LYS A 37 -10.196 6.833 -9.080 1.00 0.00 C ATOM 574 NZ LYS A 37 -11.238 7.542 -8.284 1.00 0.00 N ATOM 0 H LYS A 37 -8.681 5.620 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.250 7.490 -5.815 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.624 4.489 -5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.702 5.537 -6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.682 5.483 -7.101 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.811 4.637 -8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.743 7.657 -7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.048 6.815 -9.100 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.072 7.335 -10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.533 5.819 -9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.091 6.951 -8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.877 7.727 -7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.474 8.444 -8.745 1.00 0.00 H new ATOM 588 N MET A 38 -11.325 7.953 -4.559 1.00 0.00 N ATOM 589 CA MET A 38 -12.652 8.222 -4.031 1.00 0.00 C ATOM 590 C MET A 38 -13.676 7.978 -5.128 1.00 0.00 C ATOM 591 O MET A 38 -13.404 8.241 -6.299 1.00 0.00 O ATOM 592 CB MET A 38 -12.772 9.659 -3.507 1.00 0.00 C ATOM 593 CG MET A 38 -12.533 10.723 -4.568 1.00 0.00 C ATOM 594 SD MET A 38 -13.061 12.369 -4.048 1.00 0.00 S ATOM 595 CE MET A 38 -12.083 12.595 -2.568 1.00 0.00 C ATOM 0 H MET A 38 -10.838 8.775 -4.917 1.00 0.00 H new ATOM 0 HA MET A 38 -12.835 7.553 -3.190 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.766 9.799 -3.083 1.00 0.00 H new ATOM 0 HB3 MET A 38 -12.057 9.801 -2.696 1.00 0.00 H new ATOM 0 HG2 MET A 38 -11.472 10.749 -4.816 1.00 0.00 H new ATOM 0 HG3 MET A 38 -13.066 10.447 -5.478 1.00 0.00 H new ATOM 0 HE1 MET A 38 -11.676 13.606 -2.552 1.00 0.00 H new ATOM 0 HE2 MET A 38 -12.711 12.442 -1.690 1.00 0.00 H new ATOM 0 HE3 MET A 38 -11.265 11.875 -2.559 1.00 0.00 H new ATOM 605 N ILE A 39 -14.823 7.433 -4.763 1.00 0.00 N ATOM 606 CA ILE A 39 -15.871 7.163 -5.733 1.00 0.00 C ATOM 607 C ILE A 39 -17.082 8.047 -5.464 1.00 0.00 C ATOM 608 O ILE A 39 -17.560 8.136 -4.332 1.00 0.00 O ATOM 609 CB ILE A 39 -16.290 5.674 -5.706 1.00 0.00 C ATOM 610 CG1 ILE A 39 -15.085 4.770 -6.006 1.00 0.00 C ATOM 611 CG2 ILE A 39 -17.415 5.413 -6.699 1.00 0.00 C ATOM 612 CD1 ILE A 39 -14.449 5.022 -7.359 1.00 0.00 C ATOM 0 H ILE A 39 -15.053 7.169 -3.805 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.475 7.389 -6.723 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.656 5.440 -4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.333 4.914 -5.230 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.403 3.729 -5.953 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.694 4.360 -6.664 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.278 6.026 -6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -17.079 5.666 -7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.606 4.345 -7.496 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.185 4.849 -8.145 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.099 6.053 -7.410 1.00 0.00 H new ATOM 710 N PRO A 47 -21.558 6.931 -0.791 1.00 0.00 N ATOM 711 CA PRO A 47 -20.243 6.884 -1.453 1.00 0.00 C ATOM 712 C PRO A 47 -19.194 6.083 -0.686 1.00 0.00 C ATOM 713 O PRO A 47 -19.208 6.020 0.546 1.00 0.00 O ATOM 714 CB PRO A 47 -19.819 8.357 -1.541 1.00 0.00 C ATOM 715 CG PRO A 47 -20.711 9.084 -0.595 1.00 0.00 C ATOM 716 CD PRO A 47 -22.001 8.316 -0.577 1.00 0.00 C ATOM 0 HA PRO A 47 -20.319 6.381 -2.417 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.771 8.481 -1.267 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.930 8.738 -2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.270 9.131 0.401 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -20.872 10.112 -0.921 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -22.527 8.431 0.371 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -22.681 8.649 -1.361 1.00 0.00 H new ATOM 724 N TYR A 48 -18.274 5.494 -1.437 1.00 0.00 N ATOM 725 CA TYR A 48 -17.216 4.667 -0.878 1.00 0.00 C ATOM 726 C TYR A 48 -15.866 5.065 -1.471 1.00 0.00 C ATOM 727 O TYR A 48 -15.808 5.787 -2.469 1.00 0.00 O ATOM 728 CB TYR A 48 -17.504 3.182 -1.145 1.00 0.00 C ATOM 729 CG TYR A 48 -17.810 2.858 -2.598 1.00 0.00 C ATOM 730 CD1 TYR A 48 -19.102 2.970 -3.098 1.00 0.00 C ATOM 731 CD2 TYR A 48 -16.808 2.442 -3.466 1.00 0.00 C ATOM 732 CE1 TYR A 48 -19.386 2.679 -4.418 1.00 0.00 C ATOM 733 CE2 TYR A 48 -17.085 2.149 -4.788 1.00 0.00 C ATOM 734 CZ TYR A 48 -18.373 2.268 -5.260 1.00 0.00 C ATOM 735 OH TYR A 48 -18.649 1.983 -6.580 1.00 0.00 O ATOM 0 H TYR A 48 -18.241 5.577 -2.453 1.00 0.00 H new ATOM 0 HA TYR A 48 -17.181 4.824 0.200 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.643 2.594 -0.827 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -18.348 2.871 -0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -19.898 3.290 -2.443 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -15.796 2.346 -3.102 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -20.396 2.773 -4.789 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -16.294 1.828 -5.449 1.00 0.00 H new ATOM 0 HH TYR A 48 -17.825 1.709 -7.035 1.00 0.00 H new ATOM 745 N CYS A 49 -14.787 4.607 -0.855 1.00 0.00 N ATOM 746 CA CYS A 49 -13.449 4.953 -1.304 1.00 0.00 C ATOM 747 C CYS A 49 -12.536 3.729 -1.297 1.00 0.00 C ATOM 748 O CYS A 49 -12.678 2.836 -0.455 1.00 0.00 O ATOM 749 CB CYS A 49 -12.868 6.048 -0.406 1.00 0.00 C ATOM 750 SG CYS A 49 -11.262 6.686 -0.942 1.00 0.00 S ATOM 0 H CYS A 49 -14.813 3.993 -0.041 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.513 5.322 -2.328 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.576 6.875 -0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.769 5.656 0.606 1.00 0.00 H new ATOM 0 HG CYS A 49 -11.002 6.254 -2.140 1.00 0.00 H new ATOM 756 N PHE A 50 -11.616 3.690 -2.252 1.00 0.00 N ATOM 757 CA PHE A 50 -10.618 2.635 -2.327 1.00 0.00 C ATOM 758 C PHE A 50 -9.253 3.170 -1.911 1.00 0.00 C ATOM 759 O PHE A 50 -8.703 4.059 -2.567 1.00 0.00 O ATOM 760 CB PHE A 50 -10.527 2.069 -3.747 1.00 0.00 C ATOM 761 CG PHE A 50 -11.735 1.287 -4.170 1.00 0.00 C ATOM 762 CD1 PHE A 50 -12.686 1.848 -5.006 1.00 0.00 C ATOM 763 CD2 PHE A 50 -11.915 -0.014 -3.734 1.00 0.00 C ATOM 764 CE1 PHE A 50 -13.794 1.126 -5.399 1.00 0.00 C ATOM 765 CE2 PHE A 50 -13.021 -0.742 -4.124 1.00 0.00 C ATOM 766 CZ PHE A 50 -13.963 -0.172 -4.957 1.00 0.00 C ATOM 0 H PHE A 50 -11.542 4.387 -2.993 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.921 1.838 -1.648 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.376 2.892 -4.446 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.649 1.427 -3.816 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.559 2.862 -5.354 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.182 -0.465 -3.081 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -14.528 1.575 -6.051 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.149 -1.757 -3.778 1.00 0.00 H new ATOM 0 HZ PHE A 50 -14.830 -0.739 -5.262 1.00 0.00 H new ATOM 776 N VAL A 51 -8.720 2.641 -0.822 1.00 0.00 N ATOM 777 CA VAL A 51 -7.384 3.016 -0.374 1.00 0.00 C ATOM 778 C VAL A 51 -6.436 1.823 -0.468 1.00 0.00 C ATOM 779 O VAL A 51 -6.679 0.774 0.124 1.00 0.00 O ATOM 780 CB VAL A 51 -7.387 3.583 1.067 1.00 0.00 C ATOM 781 CG1 VAL A 51 -8.045 4.951 1.097 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.084 2.638 2.036 1.00 0.00 C ATOM 0 H VAL A 51 -9.188 1.953 -0.232 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.034 3.808 -1.036 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.350 3.683 1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.039 5.335 2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.495 5.633 0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.074 4.868 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.068 3.067 3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.117 2.491 1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.567 1.679 2.044 1.00 0.00 H new ATOM 792 N GLU A 52 -5.368 1.981 -1.233 1.00 0.00 N ATOM 793 CA GLU A 52 -4.420 0.898 -1.450 1.00 0.00 C ATOM 794 C GLU A 52 -3.140 1.134 -0.655 1.00 0.00 C ATOM 795 O GLU A 52 -2.583 2.231 -0.670 1.00 0.00 O ATOM 796 CB GLU A 52 -4.100 0.764 -2.941 1.00 0.00 C ATOM 797 CG GLU A 52 -3.115 -0.350 -3.259 1.00 0.00 C ATOM 798 CD GLU A 52 -2.788 -0.435 -4.734 1.00 0.00 C ATOM 799 OE1 GLU A 52 -3.226 -1.398 -5.393 1.00 0.00 O ATOM 800 OE2 GLU A 52 -2.091 0.463 -5.246 1.00 0.00 O ATOM 0 H GLU A 52 -5.135 2.849 -1.715 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.874 -0.030 -1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.026 0.585 -3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.695 1.709 -3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.196 -0.189 -2.696 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.529 -1.302 -2.927 1.00 0.00 H new ATOM 807 N PHE A 53 -2.685 0.097 0.033 1.00 0.00 N ATOM 808 CA PHE A 53 -1.475 0.166 0.839 1.00 0.00 C ATOM 809 C PHE A 53 -0.313 -0.499 0.121 1.00 0.00 C ATOM 810 O PHE A 53 -0.506 -1.342 -0.753 1.00 0.00 O ATOM 811 CB PHE A 53 -1.690 -0.539 2.179 1.00 0.00 C ATOM 812 CG PHE A 53 -2.474 0.250 3.181 1.00 0.00 C ATOM 813 CD1 PHE A 53 -1.904 0.601 4.391 1.00 0.00 C ATOM 814 CD2 PHE A 53 -3.779 0.635 2.921 1.00 0.00 C ATOM 815 CE1 PHE A 53 -2.619 1.319 5.326 1.00 0.00 C ATOM 816 CE2 PHE A 53 -4.498 1.355 3.852 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.918 1.695 5.055 1.00 0.00 C ATOM 0 H PHE A 53 -3.143 -0.814 0.048 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.245 1.218 1.006 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.203 -1.484 1.999 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.717 -0.781 2.607 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.887 0.309 4.606 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.238 0.369 1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.163 1.586 6.268 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.514 1.652 3.639 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.481 2.256 5.786 1.00 0.00 H new ATOM 827 N HIS A 54 0.899 -0.120 0.501 1.00 0.00 N ATOM 828 CA HIS A 54 2.088 -0.816 0.033 1.00 0.00 C ATOM 829 C HIS A 54 2.270 -2.074 0.857 1.00 0.00 C ATOM 830 O HIS A 54 2.740 -3.103 0.373 1.00 0.00 O ATOM 831 CB HIS A 54 3.348 0.050 0.181 1.00 0.00 C ATOM 832 CG HIS A 54 3.487 1.141 -0.834 1.00 0.00 C ATOM 833 ND1 HIS A 54 3.952 0.920 -2.111 1.00 0.00 N ATOM 834 CD2 HIS A 54 3.249 2.469 -0.747 1.00 0.00 C ATOM 835 CE1 HIS A 54 3.992 2.064 -2.765 1.00 0.00 C ATOM 836 NE2 HIS A 54 3.568 3.018 -1.962 1.00 0.00 N ATOM 0 H HIS A 54 1.084 0.662 1.129 1.00 0.00 H new ATOM 0 HA HIS A 54 1.953 -1.048 -1.023 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.349 0.497 1.175 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.224 -0.596 0.121 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.877 2.998 0.118 1.00 0.00 H new ATOM 0 HE1 HIS A 54 4.317 2.196 -3.786 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.490 4.006 -2.205 1.00 0.00 H new ATOM 845 N GLU A 55 1.848 -1.973 2.105 1.00 0.00 N ATOM 846 CA GLU A 55 2.107 -2.990 3.097 1.00 0.00 C ATOM 847 C GLU A 55 0.796 -3.629 3.559 1.00 0.00 C ATOM 848 O GLU A 55 -0.026 -2.986 4.215 1.00 0.00 O ATOM 849 CB GLU A 55 2.851 -2.334 4.260 1.00 0.00 C ATOM 850 CG GLU A 55 4.045 -3.127 4.748 1.00 0.00 C ATOM 851 CD GLU A 55 3.628 -4.414 5.413 1.00 0.00 C ATOM 852 OE1 GLU A 55 4.211 -5.472 5.103 1.00 0.00 O ATOM 853 OE2 GLU A 55 2.699 -4.363 6.238 1.00 0.00 O ATOM 0 H GLU A 55 1.314 -1.178 2.456 1.00 0.00 H new ATOM 0 HA GLU A 55 2.720 -3.788 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.186 -1.344 3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.157 -2.192 5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.702 -3.349 3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.619 -2.524 5.451 1.00 0.00 H new ATOM 860 N HIS A 56 0.610 -4.894 3.201 1.00 0.00 N ATOM 861 CA HIS A 56 -0.634 -5.612 3.476 1.00 0.00 C ATOM 862 C HIS A 56 -0.790 -5.926 4.964 1.00 0.00 C ATOM 863 O HIS A 56 -1.904 -5.925 5.485 1.00 0.00 O ATOM 864 CB HIS A 56 -0.693 -6.903 2.645 1.00 0.00 C ATOM 865 CG HIS A 56 -1.881 -7.776 2.936 1.00 0.00 C ATOM 866 ND1 HIS A 56 -3.139 -7.551 2.413 1.00 0.00 N ATOM 867 CD2 HIS A 56 -1.991 -8.884 3.706 1.00 0.00 C ATOM 868 CE1 HIS A 56 -3.967 -8.481 2.854 1.00 0.00 C ATOM 869 NE2 HIS A 56 -3.295 -9.298 3.635 1.00 0.00 N ATOM 0 H HIS A 56 1.312 -5.451 2.714 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.463 -4.964 3.191 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.702 -6.640 1.587 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.216 -7.477 2.823 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -3.389 -6.787 1.785 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.199 -9.354 4.271 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.017 -8.557 2.614 1.00 0.00 H new ATOM 878 N ARG A 57 0.316 -6.192 5.641 1.00 0.00 N ATOM 879 CA ARG A 57 0.279 -6.503 7.066 1.00 0.00 C ATOM 880 C ARG A 57 -0.224 -5.301 7.863 1.00 0.00 C ATOM 881 O ARG A 57 -0.928 -5.450 8.860 1.00 0.00 O ATOM 882 CB ARG A 57 1.665 -6.932 7.558 1.00 0.00 C ATOM 883 CG ARG A 57 1.733 -7.204 9.052 1.00 0.00 C ATOM 884 CD ARG A 57 0.774 -8.305 9.471 1.00 0.00 C ATOM 885 NE ARG A 57 0.811 -8.531 10.913 1.00 0.00 N ATOM 886 CZ ARG A 57 0.609 -9.713 11.492 1.00 0.00 C ATOM 887 NH1 ARG A 57 0.307 -10.774 10.757 1.00 0.00 N ATOM 888 NH2 ARG A 57 0.698 -9.830 12.812 1.00 0.00 N ATOM 0 H ARG A 57 1.250 -6.199 5.230 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.412 -7.332 7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.968 -7.831 7.021 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.385 -6.153 7.308 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.750 -7.486 9.324 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.498 -6.291 9.598 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.239 -8.040 9.170 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.030 -9.228 8.951 1.00 0.00 H new ATOM 0 HE ARG A 57 1.004 -7.731 11.516 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.229 -10.687 9.744 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.153 -11.677 11.205 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.921 -9.014 13.382 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.543 -10.735 13.255 1.00 0.00 H new ATOM 902 N HIS A 58 0.121 -4.110 7.399 1.00 0.00 N ATOM 903 CA HIS A 58 -0.333 -2.882 8.036 1.00 0.00 C ATOM 904 C HIS A 58 -1.780 -2.599 7.667 1.00 0.00 C ATOM 905 O HIS A 58 -2.521 -1.978 8.429 1.00 0.00 O ATOM 906 CB HIS A 58 0.552 -1.709 7.635 1.00 0.00 C ATOM 907 CG HIS A 58 1.864 -1.676 8.357 1.00 0.00 C ATOM 908 ND1 HIS A 58 2.995 -2.315 7.901 1.00 0.00 N ATOM 909 CD2 HIS A 58 2.220 -1.058 9.503 1.00 0.00 C ATOM 910 CE1 HIS A 58 3.995 -2.075 8.730 1.00 0.00 C ATOM 911 NE2 HIS A 58 3.548 -1.316 9.709 1.00 0.00 N ATOM 0 H HIS A 58 0.715 -3.967 6.582 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.265 -3.011 9.116 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.738 -1.755 6.562 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.017 -0.779 7.827 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.052 -2.884 7.056 1.00 0.00 H new ATOM 0 HD2 HIS A 58 1.576 -0.469 10.139 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.006 -2.439 8.623 1.00 0.00 H new ATOM 920 N ALA A 59 -2.177 -3.073 6.495 1.00 0.00 N ATOM 921 CA ALA A 59 -3.548 -2.938 6.031 1.00 0.00 C ATOM 922 C ALA A 59 -4.498 -3.700 6.951 1.00 0.00 C ATOM 923 O ALA A 59 -5.655 -3.319 7.126 1.00 0.00 O ATOM 924 CB ALA A 59 -3.657 -3.445 4.602 1.00 0.00 C ATOM 0 H ALA A 59 -1.561 -3.559 5.843 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.831 -1.886 6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.686 -3.343 4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.999 -2.862 3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.365 -4.494 4.565 1.00 0.00 H new ATOM 930 N ALA A 60 -3.983 -4.767 7.553 1.00 0.00 N ATOM 931 CA ALA A 60 -4.745 -5.559 8.509 1.00 0.00 C ATOM 932 C ALA A 60 -5.113 -4.725 9.730 1.00 0.00 C ATOM 933 O ALA A 60 -6.257 -4.743 10.191 1.00 0.00 O ATOM 934 CB ALA A 60 -3.943 -6.777 8.931 1.00 0.00 C ATOM 0 H ALA A 60 -3.034 -5.104 7.393 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.666 -5.887 8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.521 -7.363 9.646 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.721 -7.388 8.056 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.010 -6.456 9.395 1.00 0.00 H new ATOM 940 N ALA A 61 -4.133 -3.987 10.243 1.00 0.00 N ATOM 941 CA ALA A 61 -4.344 -3.122 11.395 1.00 0.00 C ATOM 942 C ALA A 61 -5.338 -2.018 11.059 1.00 0.00 C ATOM 943 O ALA A 61 -6.204 -1.680 11.867 1.00 0.00 O ATOM 944 CB ALA A 61 -3.023 -2.526 11.862 1.00 0.00 C ATOM 0 H ALA A 61 -3.182 -3.972 9.876 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.758 -3.722 12.205 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.199 -1.882 12.724 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.341 -3.328 12.142 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.583 -1.940 11.055 1.00 0.00 H new ATOM 950 N ALA A 62 -5.214 -1.475 9.854 1.00 0.00 N ATOM 951 CA ALA A 62 -6.118 -0.434 9.384 1.00 0.00 C ATOM 952 C ALA A 62 -7.548 -0.956 9.317 1.00 0.00 C ATOM 953 O ALA A 62 -8.486 -0.277 9.732 1.00 0.00 O ATOM 954 CB ALA A 62 -5.671 0.076 8.023 1.00 0.00 C ATOM 0 H ALA A 62 -4.493 -1.740 9.183 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.091 0.395 10.092 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.355 0.854 7.683 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.664 0.487 8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.673 -0.747 7.308 1.00 0.00 H new ATOM 960 N LEU A 63 -7.694 -2.174 8.810 1.00 0.00 N ATOM 961 CA LEU A 63 -8.994 -2.826 8.706 1.00 0.00 C ATOM 962 C LEU A 63 -9.673 -2.879 10.075 1.00 0.00 C ATOM 963 O LEU A 63 -10.795 -2.405 10.241 1.00 0.00 O ATOM 964 CB LEU A 63 -8.807 -4.245 8.135 1.00 0.00 C ATOM 965 CG LEU A 63 -10.075 -4.987 7.675 1.00 0.00 C ATOM 966 CD1 LEU A 63 -10.918 -5.456 8.853 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.900 -4.111 6.749 1.00 0.00 C ATOM 0 H LEU A 63 -6.918 -2.736 8.460 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.634 -2.254 8.035 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.125 -4.181 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.315 -4.853 8.894 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.752 -5.873 7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.803 -5.975 8.484 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.332 -6.135 9.473 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.224 -4.595 9.447 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.792 -4.653 6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.194 -3.202 7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.307 -3.848 5.873 1.00 0.00 H new ATOM 979 N ALA A 64 -8.974 -3.435 11.054 1.00 0.00 N ATOM 980 CA ALA A 64 -9.544 -3.645 12.377 1.00 0.00 C ATOM 981 C ALA A 64 -9.790 -2.331 13.119 1.00 0.00 C ATOM 982 O ALA A 64 -10.847 -2.142 13.724 1.00 0.00 O ATOM 983 CB ALA A 64 -8.635 -4.550 13.194 1.00 0.00 C ATOM 0 H ALA A 64 -8.009 -3.750 10.957 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.514 -4.124 12.244 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.067 -4.703 14.183 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.531 -5.511 12.691 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.654 -4.085 13.295 1.00 0.00 H new ATOM 989 N ALA A 65 -8.823 -1.424 13.059 1.00 0.00 N ATOM 990 CA ALA A 65 -8.875 -0.200 13.851 1.00 0.00 C ATOM 991 C ALA A 65 -9.794 0.856 13.240 1.00 0.00 C ATOM 992 O ALA A 65 -10.535 1.528 13.957 1.00 0.00 O ATOM 993 CB ALA A 65 -7.474 0.365 14.035 1.00 0.00 C ATOM 0 H ALA A 65 -7.994 -1.512 12.471 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.294 -0.464 14.822 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.525 1.278 14.628 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.851 -0.367 14.549 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.041 0.589 13.060 1.00 0.00 H new ATOM 999 N MET A 66 -9.762 0.998 11.923 1.00 0.00 N ATOM 1000 CA MET A 66 -10.476 2.093 11.268 1.00 0.00 C ATOM 1001 C MET A 66 -11.927 1.738 10.966 1.00 0.00 C ATOM 1002 O MET A 66 -12.757 2.628 10.770 1.00 0.00 O ATOM 1003 CB MET A 66 -9.762 2.512 9.982 1.00 0.00 C ATOM 1004 CG MET A 66 -8.370 3.082 10.214 1.00 0.00 C ATOM 1005 SD MET A 66 -8.386 4.574 11.228 1.00 0.00 S ATOM 1006 CE MET A 66 -9.336 5.680 10.186 1.00 0.00 C ATOM 0 H MET A 66 -9.256 0.378 11.290 1.00 0.00 H new ATOM 0 HA MET A 66 -10.480 2.930 11.967 1.00 0.00 H new ATOM 0 HB2 MET A 66 -9.686 1.649 9.321 1.00 0.00 H new ATOM 0 HB3 MET A 66 -10.369 3.256 9.466 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.749 2.327 10.696 1.00 0.00 H new ATOM 0 HG3 MET A 66 -7.909 3.307 9.252 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.241 6.701 10.557 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.961 5.629 9.164 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.385 5.384 10.202 1.00 0.00 H new ATOM 1016 N ASN A 67 -12.240 0.452 10.927 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.609 0.024 10.652 1.00 0.00 C ATOM 1018 C ASN A 67 -14.527 0.405 11.806 1.00 0.00 C ATOM 1019 O ASN A 67 -14.361 -0.078 12.927 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.673 -1.486 10.415 1.00 0.00 C ATOM 1021 CG ASN A 67 -15.067 -1.955 10.040 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -15.842 -1.214 9.437 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -15.394 -3.187 10.396 1.00 0.00 N ATOM 0 H ASN A 67 -11.576 -0.307 11.080 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.944 0.532 9.747 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.976 -1.756 9.622 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.348 -2.006 11.316 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -16.319 -3.554 10.171 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.721 -3.769 10.895 1.00 0.00 H new ATOM 1030 N GLY A 68 -15.484 1.278 11.535 1.00 0.00 N ATOM 1031 CA GLY A 68 -16.399 1.710 12.569 1.00 0.00 C ATOM 1032 C GLY A 68 -15.952 2.990 13.241 1.00 0.00 C ATOM 1033 O GLY A 68 -16.509 3.386 14.266 1.00 0.00 O ATOM 0 H GLY A 68 -15.643 1.695 10.618 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.388 1.857 12.136 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.493 0.924 13.318 1.00 0.00 H new ATOM 1037 N ARG A 69 -14.939 3.637 12.675 1.00 0.00 N ATOM 1038 CA ARG A 69 -14.426 4.877 13.238 1.00 0.00 C ATOM 1039 C ARG A 69 -15.413 6.010 12.982 1.00 0.00 C ATOM 1040 O ARG A 69 -16.200 5.961 12.036 1.00 0.00 O ATOM 1041 CB ARG A 69 -13.059 5.220 12.640 1.00 0.00 C ATOM 1042 CG ARG A 69 -12.396 6.431 13.280 1.00 0.00 C ATOM 1043 CD ARG A 69 -11.969 6.154 14.714 1.00 0.00 C ATOM 1044 NE ARG A 69 -11.343 7.327 15.328 1.00 0.00 N ATOM 1045 CZ ARG A 69 -11.357 7.586 16.635 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -11.891 6.719 17.483 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -10.804 8.702 17.093 1.00 0.00 N ATOM 0 H ARG A 69 -14.460 3.324 11.831 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.304 4.746 14.313 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.400 4.358 12.746 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.176 5.403 11.572 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.525 6.721 12.692 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.087 7.274 13.264 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -12.837 5.855 15.301 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.270 5.318 14.731 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.865 7.988 14.716 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -12.294 5.848 17.136 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.899 6.922 18.483 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.370 9.359 16.445 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.813 8.903 18.093 1.00 0.00 H new ATOM 1061 N LYS A 70 -15.362 7.031 13.819 1.00 0.00 N ATOM 1062 CA LYS A 70 -16.302 8.130 13.731 1.00 0.00 C ATOM 1063 C LYS A 70 -15.608 9.352 13.148 1.00 0.00 C ATOM 1064 O LYS A 70 -14.868 10.047 13.842 1.00 0.00 O ATOM 1065 CB LYS A 70 -16.869 8.445 15.117 1.00 0.00 C ATOM 1066 CG LYS A 70 -18.165 9.239 15.083 1.00 0.00 C ATOM 1067 CD LYS A 70 -19.278 8.465 14.388 1.00 0.00 C ATOM 1068 CE LYS A 70 -19.511 7.102 15.028 1.00 0.00 C ATOM 1069 NZ LYS A 70 -19.869 7.210 16.469 1.00 0.00 N ATOM 0 H LYS A 70 -14.677 7.120 14.569 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.127 7.849 13.076 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -17.040 7.510 15.650 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.126 9.004 15.685 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.470 9.482 16.101 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -18.000 10.184 14.566 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -20.200 9.045 14.424 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -19.026 8.333 13.336 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -20.309 6.584 14.495 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.612 6.495 14.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.101 6.267 16.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -19.064 7.603 16.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -20.693 7.836 16.576 1.00 0.00 H new ATOM 1083 N ILE A 71 -15.838 9.596 11.869 1.00 0.00 N ATOM 1084 CA ILE A 71 -15.164 10.675 11.170 1.00 0.00 C ATOM 1085 C ILE A 71 -16.169 11.694 10.646 1.00 0.00 C ATOM 1086 O ILE A 71 -17.028 11.367 9.827 1.00 0.00 O ATOM 1087 CB ILE A 71 -14.311 10.133 9.999 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -13.270 9.132 10.518 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -13.628 11.278 9.259 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -12.453 8.470 9.428 1.00 0.00 C ATOM 0 H ILE A 71 -16.488 9.060 11.293 1.00 0.00 H new ATOM 0 HA ILE A 71 -14.503 11.166 11.885 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.970 9.618 9.300 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.595 9.647 11.201 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.780 8.360 11.095 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -13.033 10.877 8.439 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.383 11.956 8.862 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.979 11.820 9.947 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.741 7.778 9.877 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.116 7.924 8.757 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.913 9.231 8.865 1.00 0.00 H new ATOM 1102 N MET A 72 -16.068 12.918 11.155 1.00 0.00 N ATOM 1103 CA MET A 72 -16.904 14.034 10.709 1.00 0.00 C ATOM 1104 C MET A 72 -18.390 13.749 10.918 1.00 0.00 C ATOM 1105 O MET A 72 -19.229 14.166 10.119 1.00 0.00 O ATOM 1106 CB MET A 72 -16.635 14.362 9.235 1.00 0.00 C ATOM 1107 CG MET A 72 -15.205 14.793 8.950 1.00 0.00 C ATOM 1108 SD MET A 72 -14.703 16.224 9.926 1.00 0.00 S ATOM 1109 CE MET A 72 -13.038 16.479 9.319 1.00 0.00 C ATOM 0 H MET A 72 -15.405 13.167 11.889 1.00 0.00 H new ATOM 0 HA MET A 72 -16.638 14.897 11.319 1.00 0.00 H new ATOM 0 HB2 MET A 72 -16.867 13.486 8.630 1.00 0.00 H new ATOM 0 HB3 MET A 72 -17.313 15.156 8.920 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.531 13.962 9.158 1.00 0.00 H new ATOM 0 HG3 MET A 72 -15.105 15.028 7.890 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.696 17.474 9.603 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.374 15.730 9.751 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.029 16.388 8.233 1.00 0.00 H new ATOM 1119 N GLY A 73 -18.711 13.038 11.993 1.00 0.00 N ATOM 1120 CA GLY A 73 -20.101 12.737 12.298 1.00 0.00 C ATOM 1121 C GLY A 73 -20.665 11.619 11.436 1.00 0.00 C ATOM 1122 O GLY A 73 -21.877 11.400 11.401 1.00 0.00 O ATOM 0 H GLY A 73 -18.035 12.664 12.660 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -20.185 12.458 13.348 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -20.702 13.636 12.158 1.00 0.00 H new ATOM 1126 N LYS A 74 -19.785 10.921 10.733 1.00 0.00 N ATOM 1127 CA LYS A 74 -20.177 9.801 9.894 1.00 0.00 C ATOM 1128 C LYS A 74 -19.405 8.559 10.324 1.00 0.00 C ATOM 1129 O LYS A 74 -18.214 8.639 10.630 1.00 0.00 O ATOM 1130 CB LYS A 74 -19.896 10.131 8.421 1.00 0.00 C ATOM 1131 CG LYS A 74 -20.433 9.110 7.431 1.00 0.00 C ATOM 1132 CD LYS A 74 -21.948 9.023 7.480 1.00 0.00 C ATOM 1133 CE LYS A 74 -22.479 8.063 6.427 1.00 0.00 C ATOM 1134 NZ LYS A 74 -22.264 8.572 5.047 1.00 0.00 N ATOM 0 H LYS A 74 -18.784 11.115 10.729 1.00 0.00 H new ATOM 0 HA LYS A 74 -21.245 9.611 10.005 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -20.330 11.104 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -18.819 10.221 8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.116 9.379 6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -20.005 8.132 7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -22.264 8.692 8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -22.377 10.013 7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -21.987 7.097 6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -23.544 7.899 6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -22.686 7.911 4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -22.712 9.506 4.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -21.244 8.656 4.863 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.084 7.424 10.381 1.00 0.00 N ATOM 1149 CA GLU A 75 -19.441 6.180 10.774 1.00 0.00 C ATOM 1150 C GLU A 75 -18.931 5.435 9.552 1.00 0.00 C ATOM 1151 O GLU A 75 -19.710 4.917 8.751 1.00 0.00 O ATOM 1152 CB GLU A 75 -20.385 5.294 11.601 1.00 0.00 C ATOM 1153 CG GLU A 75 -21.849 5.720 11.581 1.00 0.00 C ATOM 1154 CD GLU A 75 -22.540 5.438 10.263 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -22.624 6.357 9.423 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -23.026 4.303 10.071 1.00 0.00 O ATOM 0 H GLU A 75 -21.076 7.338 10.161 1.00 0.00 H new ATOM 0 HA GLU A 75 -18.590 6.430 11.407 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -20.315 4.271 11.232 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -20.039 5.285 12.634 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -22.381 5.203 12.380 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -21.912 6.787 11.795 1.00 0.00 H new ATOM 1163 N VAL A 76 -17.616 5.392 9.419 1.00 0.00 N ATOM 1164 CA VAL A 76 -16.979 4.765 8.272 1.00 0.00 C ATOM 1165 C VAL A 76 -16.958 3.250 8.428 1.00 0.00 C ATOM 1166 O VAL A 76 -16.925 2.727 9.543 1.00 0.00 O ATOM 1167 CB VAL A 76 -15.534 5.273 8.082 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -15.505 6.788 7.979 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -14.646 4.803 9.221 1.00 0.00 C ATOM 0 H VAL A 76 -16.964 5.787 10.097 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.565 5.033 7.393 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.149 4.858 7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.477 7.124 7.846 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.104 7.106 7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.913 7.223 8.892 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -13.632 5.172 9.068 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.033 5.186 10.166 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.635 3.713 9.248 1.00 0.00 H new ATOM 1179 N LYS A 77 -16.978 2.543 7.310 1.00 0.00 N ATOM 1180 CA LYS A 77 -16.966 1.091 7.342 1.00 0.00 C ATOM 1181 C LYS A 77 -15.913 0.547 6.398 1.00 0.00 C ATOM 1182 O LYS A 77 -15.940 0.816 5.200 1.00 0.00 O ATOM 1183 CB LYS A 77 -18.344 0.543 6.987 1.00 0.00 C ATOM 1184 CG LYS A 77 -19.429 1.039 7.925 1.00 0.00 C ATOM 1185 CD LYS A 77 -20.799 0.527 7.529 1.00 0.00 C ATOM 1186 CE LYS A 77 -21.871 1.048 8.473 1.00 0.00 C ATOM 1187 NZ LYS A 77 -23.239 0.669 8.032 1.00 0.00 N ATOM 0 H LYS A 77 -17.002 2.949 6.374 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.716 0.767 8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.593 0.830 5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.316 -0.546 7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.203 0.720 8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.436 2.129 7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.026 0.837 6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.800 -0.563 7.538 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.692 0.657 9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.800 2.134 8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -23.937 1.045 8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -23.421 1.064 7.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -23.317 -0.367 7.995 1.00 0.00 H new ATOM 1201 N VAL A 78 -14.990 -0.218 6.949 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.850 -0.706 6.193 1.00 0.00 C ATOM 1203 C VAL A 78 -13.926 -2.219 6.026 1.00 0.00 C ATOM 1204 O VAL A 78 -14.126 -2.952 6.994 1.00 0.00 O ATOM 1205 CB VAL A 78 -12.517 -0.335 6.882 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -11.332 -0.667 5.990 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -12.494 1.137 7.269 1.00 0.00 C ATOM 0 H VAL A 78 -15.007 -0.517 7.924 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.882 -0.229 5.213 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.438 -0.930 7.792 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.407 -0.396 6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.328 -1.735 5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.411 -0.108 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.545 1.371 7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.607 1.750 6.375 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.313 1.345 7.958 1.00 0.00 H new ATOM 1217 N ASN A 79 -13.782 -2.676 4.793 1.00 0.00 N ATOM 1218 CA ASN A 79 -13.809 -4.098 4.489 1.00 0.00 C ATOM 1219 C ASN A 79 -12.659 -4.438 3.545 1.00 0.00 C ATOM 1220 O ASN A 79 -12.074 -3.548 2.930 1.00 0.00 O ATOM 1221 CB ASN A 79 -15.155 -4.468 3.858 1.00 0.00 C ATOM 1222 CG ASN A 79 -15.373 -5.966 3.757 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -15.060 -6.586 2.743 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -15.903 -6.555 4.816 1.00 0.00 N ATOM 0 H ASN A 79 -13.644 -2.077 3.979 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.690 -4.672 5.408 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.959 -4.029 4.448 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.215 -4.030 2.862 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -16.066 -7.562 4.811 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -16.148 -6.002 5.638 1.00 0.00 H new ATOM 1231 N TRP A 80 -12.328 -5.717 3.442 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.229 -6.158 2.593 1.00 0.00 C ATOM 1233 C TRP A 80 -11.608 -6.059 1.120 1.00 0.00 C ATOM 1234 O TRP A 80 -12.421 -6.844 0.625 1.00 0.00 O ATOM 1235 CB TRP A 80 -10.834 -7.599 2.920 1.00 0.00 C ATOM 1236 CG TRP A 80 -10.315 -7.788 4.309 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -11.030 -8.163 5.407 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -8.961 -7.614 4.750 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -10.208 -8.239 6.502 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -8.932 -7.906 6.126 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -7.772 -7.241 4.115 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -7.761 -7.835 6.877 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -6.611 -7.176 4.861 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -6.612 -7.471 6.228 1.00 0.00 C ATOM 0 H TRP A 80 -12.806 -6.470 3.937 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.380 -5.503 2.787 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -11.701 -8.244 2.776 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -10.073 -7.926 2.211 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -12.090 -8.370 5.414 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -10.499 -8.501 7.444 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -7.762 -7.008 3.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -7.760 -8.059 7.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -5.686 -6.892 4.380 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -5.687 -7.410 6.783 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.017 -5.100 0.424 1.00 0.00 N ATOM 1256 CA ALA A 81 -11.269 -4.931 -0.996 1.00 0.00 C ATOM 1257 C ALA A 81 -10.282 -5.754 -1.809 1.00 0.00 C ATOM 1258 O ALA A 81 -9.136 -5.350 -2.016 1.00 0.00 O ATOM 1259 CB ALA A 81 -11.189 -3.461 -1.387 1.00 0.00 C ATOM 0 H ALA A 81 -10.360 -4.428 0.820 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.277 -5.285 -1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.381 -3.358 -2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.934 -2.895 -0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.195 -3.077 -1.158 1.00 0.00 H new