USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 685 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 81 GLN : amide:sc= 0.479 K(o=1.1,f=-1.4) USER MOD Set 1.2: A 84 GLN : amide:sc= 0.637 K(o=1.1,f=-2.2) USER MOD Single : A 1 SER N :NH3+ -110:sc= 0.101 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 5 MET CE :methyl -165:sc= -0.0272 (180deg=-0.331) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0471 USER MOD Single : A 8 CYS SG : rot -53:sc= -0.104 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0654 USER MOD Single : A 20 THR OG1 : rot -38:sc= 0.0437 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 28 ASN : amide:sc= -1.54! C(o=-1.5!,f=-1.9!) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 1.14 (180deg=1.1) USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= 0.892 (180deg=0.709) USER MOD Single : A 35 HIS : no HD1:sc=-0.00113 X(o=-0.0011,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0293 K(o=-0.029,f=-0.98) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 42 CYS SG : rot 130:sc= -1.13 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : +bothHN:sc= 1.46 K(o=1.5,f=-4.7!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 52 SER OG : rot 152:sc= 1.64 USER MOD Single : A 53 SER OG : rot -24:sc= 0.321 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.4) USER MOD Single : A 65 ASN : amide:sc= -0.173 K(o=-0.17,f=-3.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.109 K(o=-0.11,f=-3.2!) USER MOD Single : A 69 CYS SG : rot 160:sc= -1.08 USER MOD Single : A 70 GLN : amide:sc= -0.317 K(o=-0.32,f=-1.8) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 77 MET CE :methyl 171:sc= -0.0281 (180deg=-0.175) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -158:sc= -0.156 (180deg=-1.08) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.527 K(o=0.53,f=-2.7!) USER MOD Single : A 86 LYS NZ :NH3+ 169:sc= 2.21 (180deg=1.89) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 26.985 8.121 -17.505 1.00 0.00 N ATOM 2 CA SER A 1 26.393 7.305 -18.582 1.00 0.00 C ATOM 3 C SER A 1 25.276 6.423 -18.048 1.00 0.00 C ATOM 4 O SER A 1 25.193 6.178 -16.844 1.00 0.00 O ATOM 5 CB SER A 1 27.460 6.449 -19.264 1.00 0.00 C ATOM 6 OG SER A 1 28.419 7.293 -19.864 1.00 0.00 O ATOM 0 H1 SER A 1 26.726 9.119 -17.643 1.00 0.00 H new ATOM 0 H2 SER A 1 26.626 7.795 -16.585 1.00 0.00 H new ATOM 0 H3 SER A 1 28.020 8.026 -17.526 1.00 0.00 H new ATOM 0 HA SER A 1 25.970 7.987 -19.320 1.00 0.00 H new ATOM 0 HB2 SER A 1 27.939 5.795 -18.535 1.00 0.00 H new ATOM 0 HB3 SER A 1 27.002 5.807 -20.016 1.00 0.00 H new ATOM 0 HG SER A 1 29.106 6.748 -20.301 1.00 0.00 H new ATOM 12 N GLY A 2 24.412 5.939 -18.946 1.00 0.00 N ATOM 13 CA GLY A 2 23.286 5.093 -18.584 1.00 0.00 C ATOM 14 C GLY A 2 22.149 5.898 -17.959 1.00 0.00 C ATOM 15 O GLY A 2 22.239 7.122 -17.821 1.00 0.00 O ATOM 0 H GLY A 2 24.480 6.128 -19.946 1.00 0.00 H new ATOM 0 HA2 GLY A 2 22.920 4.576 -19.471 1.00 0.00 H new ATOM 0 HA3 GLY A 2 23.617 4.327 -17.883 1.00 0.00 H new ATOM 19 N SER A 3 21.074 5.203 -17.580 1.00 0.00 N ATOM 20 CA SER A 3 19.898 5.808 -16.970 1.00 0.00 C ATOM 21 C SER A 3 19.138 4.767 -16.154 1.00 0.00 C ATOM 22 O SER A 3 19.458 3.578 -16.192 1.00 0.00 O ATOM 23 CB SER A 3 18.998 6.383 -18.060 1.00 0.00 C ATOM 24 OG SER A 3 18.433 5.334 -18.825 1.00 0.00 O ATOM 0 H SER A 3 20.999 4.192 -17.692 1.00 0.00 H new ATOM 0 HA SER A 3 20.211 6.612 -16.303 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.207 6.983 -17.611 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.573 7.046 -18.706 1.00 0.00 H new ATOM 0 HG SER A 3 17.855 5.711 -19.521 1.00 0.00 H new ATOM 30 N HIS A 4 18.120 5.216 -15.410 1.00 0.00 N ATOM 31 CA HIS A 4 17.294 4.331 -14.594 1.00 0.00 C ATOM 32 C HIS A 4 16.297 3.537 -15.442 1.00 0.00 C ATOM 33 O HIS A 4 15.548 2.721 -14.907 1.00 0.00 O ATOM 34 CB HIS A 4 16.567 5.139 -13.523 1.00 0.00 C ATOM 35 CG HIS A 4 17.482 5.664 -12.443 1.00 0.00 C ATOM 36 ND1 HIS A 4 18.566 6.503 -12.614 1.00 0.00 N ATOM 37 CD2 HIS A 4 17.356 5.418 -11.104 1.00 0.00 C ATOM 38 CE1 HIS A 4 19.095 6.758 -11.400 1.00 0.00 C ATOM 39 NE2 HIS A 4 18.373 6.101 -10.468 1.00 0.00 N ATOM 0 H HIS A 4 17.850 6.198 -15.360 1.00 0.00 H new ATOM 0 HA HIS A 4 17.952 3.608 -14.112 1.00 0.00 H new ATOM 0 HB2 HIS A 4 16.056 5.978 -13.996 1.00 0.00 H new ATOM 0 HB3 HIS A 4 15.799 4.515 -13.066 1.00 0.00 H new ATOM 0 HD2 HIS A 4 16.602 4.805 -10.633 1.00 0.00 H new ATOM 0 HE1 HIS A 4 19.954 7.384 -11.206 1.00 0.00 H new ATOM 0 HE2 HIS A 4 18.549 6.108 -9.463 1.00 0.00 H new ATOM 48 N MET A 5 16.280 3.771 -16.759 1.00 0.00 N ATOM 49 CA MET A 5 15.373 3.115 -17.700 1.00 0.00 C ATOM 50 C MET A 5 13.901 3.273 -17.312 1.00 0.00 C ATOM 51 O MET A 5 13.058 2.486 -17.739 1.00 0.00 O ATOM 52 CB MET A 5 15.771 1.650 -17.900 1.00 0.00 C ATOM 53 CG MET A 5 17.204 1.551 -18.421 1.00 0.00 C ATOM 54 SD MET A 5 17.769 -0.144 -18.725 1.00 0.00 S ATOM 55 CE MET A 5 17.778 -0.772 -17.027 1.00 0.00 C ATOM 0 H MET A 5 16.911 4.436 -17.207 1.00 0.00 H new ATOM 0 HA MET A 5 15.475 3.622 -18.660 1.00 0.00 H new ATOM 0 HB2 MET A 5 15.683 1.111 -16.957 1.00 0.00 H new ATOM 0 HB3 MET A 5 15.088 1.174 -18.604 1.00 0.00 H new ATOM 0 HG2 MET A 5 17.282 2.120 -19.348 1.00 0.00 H new ATOM 0 HG3 MET A 5 17.874 2.022 -17.701 1.00 0.00 H new ATOM 0 HE1 MET A 5 18.345 -1.702 -16.986 1.00 0.00 H new ATOM 0 HE2 MET A 5 18.240 -0.036 -16.369 1.00 0.00 H new ATOM 0 HE3 MET A 5 16.754 -0.957 -16.702 1.00 0.00 H new ATOM 65 N LYS A 6 13.590 4.291 -16.498 1.00 0.00 N ATOM 66 CA LYS A 6 12.237 4.547 -16.026 1.00 0.00 C ATOM 67 C LYS A 6 12.076 6.025 -15.685 1.00 0.00 C ATOM 68 O LYS A 6 13.042 6.686 -15.302 1.00 0.00 O ATOM 69 CB LYS A 6 11.959 3.644 -14.818 1.00 0.00 C ATOM 70 CG LYS A 6 10.552 3.868 -14.255 1.00 0.00 C ATOM 71 CD LYS A 6 10.266 2.914 -13.093 1.00 0.00 C ATOM 72 CE LYS A 6 10.275 1.459 -13.565 1.00 0.00 C ATOM 73 NZ LYS A 6 9.957 0.542 -12.455 1.00 0.00 N ATOM 0 H LYS A 6 14.279 4.959 -16.151 1.00 0.00 H new ATOM 0 HA LYS A 6 11.509 4.316 -16.804 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.072 2.600 -15.110 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.697 3.839 -14.040 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.452 4.899 -13.916 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.814 3.719 -15.043 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.014 3.052 -12.312 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.298 3.151 -12.652 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.550 1.329 -14.368 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.254 1.212 -13.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.969 -0.439 -12.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.664 0.652 -11.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.013 0.765 -12.080 1.00 0.00 H new ATOM 87 N THR A 7 10.852 6.543 -15.821 1.00 0.00 N ATOM 88 CA THR A 7 10.533 7.931 -15.528 1.00 0.00 C ATOM 89 C THR A 7 10.783 8.372 -14.089 1.00 0.00 C ATOM 90 O THR A 7 10.784 7.545 -13.176 1.00 0.00 O ATOM 91 CB THR A 7 9.139 8.317 -16.041 1.00 0.00 C ATOM 92 OG1 THR A 7 8.757 7.465 -17.099 1.00 0.00 O ATOM 93 CG2 THR A 7 9.101 9.763 -16.525 1.00 0.00 C ATOM 0 H THR A 7 10.051 5.999 -16.141 1.00 0.00 H new ATOM 0 HA THR A 7 11.264 8.507 -16.095 1.00 0.00 H new ATOM 0 HB THR A 7 8.443 8.212 -15.209 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.866 7.719 -17.418 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.099 10.001 -16.881 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.362 10.429 -15.702 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.815 9.893 -17.338 1.00 0.00 H new ATOM 101 N CYS A 8 10.992 9.674 -13.881 1.00 0.00 N ATOM 102 CA CYS A 8 11.284 10.233 -12.571 1.00 0.00 C ATOM 103 C CYS A 8 10.750 11.667 -12.503 1.00 0.00 C ATOM 104 O CYS A 8 11.502 12.619 -12.296 1.00 0.00 O ATOM 105 CB CYS A 8 12.795 10.162 -12.329 1.00 0.00 C ATOM 106 SG CYS A 8 13.163 10.644 -10.620 1.00 0.00 S ATOM 0 H CYS A 8 10.962 10.370 -14.626 1.00 0.00 H new ATOM 0 HA CYS A 8 10.791 9.663 -11.783 1.00 0.00 H new ATOM 0 HB2 CYS A 8 13.156 9.151 -12.518 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.316 10.821 -13.023 1.00 0.00 H new ATOM 0 HG CYS A 8 12.619 11.798 -10.368 1.00 0.00 H new ATOM 112 N VAL A 9 9.435 11.820 -12.683 1.00 0.00 N ATOM 113 CA VAL A 9 8.782 13.120 -12.627 1.00 0.00 C ATOM 114 C VAL A 9 8.790 13.704 -11.216 1.00 0.00 C ATOM 115 O VAL A 9 8.725 12.963 -10.237 1.00 0.00 O ATOM 116 CB VAL A 9 7.357 13.031 -13.187 1.00 0.00 C ATOM 117 CG1 VAL A 9 6.782 14.428 -13.427 1.00 0.00 C ATOM 118 CG2 VAL A 9 7.330 12.251 -14.505 1.00 0.00 C ATOM 0 H VAL A 9 8.799 11.045 -12.871 1.00 0.00 H new ATOM 0 HA VAL A 9 9.354 13.804 -13.253 1.00 0.00 H new ATOM 0 HB VAL A 9 6.750 12.508 -12.448 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.771 14.342 -13.824 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.757 14.978 -12.486 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.408 14.961 -14.142 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.307 12.204 -14.879 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.962 12.753 -15.238 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.702 11.240 -14.337 1.00 0.00 H new ATOM 128 N VAL A 10 8.871 15.035 -11.115 1.00 0.00 N ATOM 129 CA VAL A 10 8.899 15.752 -9.845 1.00 0.00 C ATOM 130 C VAL A 10 8.130 17.064 -9.958 1.00 0.00 C ATOM 131 O VAL A 10 7.922 17.584 -11.054 1.00 0.00 O ATOM 132 CB VAL A 10 10.342 16.010 -9.395 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.147 14.717 -9.281 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.064 16.952 -10.363 1.00 0.00 C ATOM 0 H VAL A 10 8.919 15.649 -11.928 1.00 0.00 H new ATOM 0 HA VAL A 10 8.416 15.130 -9.091 1.00 0.00 H new ATOM 0 HB VAL A 10 10.276 16.473 -8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.163 14.948 -8.960 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.676 14.058 -8.551 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.177 14.221 -10.251 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.085 17.116 -10.018 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.085 16.506 -11.357 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.537 17.905 -10.404 1.00 0.00 H new ATOM 144 N GLU A 11 7.708 17.598 -8.810 1.00 0.00 N ATOM 145 CA GLU A 11 7.002 18.867 -8.744 1.00 0.00 C ATOM 146 C GLU A 11 7.992 20.029 -8.832 1.00 0.00 C ATOM 147 O GLU A 11 9.159 19.876 -8.469 1.00 0.00 O ATOM 148 CB GLU A 11 6.212 18.916 -7.436 1.00 0.00 C ATOM 149 CG GLU A 11 5.384 20.198 -7.281 1.00 0.00 C ATOM 150 CD GLU A 11 4.338 20.381 -8.383 1.00 0.00 C ATOM 151 OE1 GLU A 11 4.093 19.415 -9.140 1.00 0.00 O ATOM 152 OE2 GLU A 11 3.786 21.500 -8.458 1.00 0.00 O ATOM 0 H GLU A 11 7.849 17.157 -7.901 1.00 0.00 H new ATOM 0 HA GLU A 11 6.314 18.957 -9.584 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.548 18.053 -7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.904 18.834 -6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.883 20.184 -6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.055 21.057 -7.280 1.00 0.00 H new ATOM 159 N LYS A 12 7.529 21.189 -9.308 1.00 0.00 N ATOM 160 CA LYS A 12 8.349 22.391 -9.376 1.00 0.00 C ATOM 161 C LYS A 12 7.567 23.644 -9.007 1.00 0.00 C ATOM 162 O LYS A 12 6.377 23.757 -9.296 1.00 0.00 O ATOM 163 CB LYS A 12 9.001 22.536 -10.755 1.00 0.00 C ATOM 164 CG LYS A 12 10.342 21.799 -10.792 1.00 0.00 C ATOM 165 CD LYS A 12 11.049 22.034 -12.128 1.00 0.00 C ATOM 166 CE LYS A 12 12.451 21.425 -12.067 1.00 0.00 C ATOM 167 NZ LYS A 12 13.160 21.576 -13.351 1.00 0.00 N ATOM 0 H LYS A 12 6.578 21.316 -9.655 1.00 0.00 H new ATOM 0 HA LYS A 12 9.140 22.279 -8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.338 22.136 -11.522 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.152 23.591 -10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.975 22.143 -9.974 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.181 20.731 -10.643 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.478 21.583 -12.940 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.112 23.102 -12.337 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.024 21.906 -11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.379 20.368 -11.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.107 21.153 -13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.624 21.096 -14.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.249 22.586 -13.582 1.00 0.00 H new ATOM 181 N ILE A 13 8.264 24.581 -8.362 1.00 0.00 N ATOM 182 CA ILE A 13 7.737 25.877 -7.957 1.00 0.00 C ATOM 183 C ILE A 13 8.832 26.923 -8.142 1.00 0.00 C ATOM 184 O ILE A 13 10.017 26.606 -8.024 1.00 0.00 O ATOM 185 CB ILE A 13 7.261 25.829 -6.493 1.00 0.00 C ATOM 186 CG1 ILE A 13 6.027 24.929 -6.359 1.00 0.00 C ATOM 187 CG2 ILE A 13 6.951 27.232 -5.960 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.513 24.867 -4.919 1.00 0.00 C ATOM 0 H ILE A 13 9.241 24.451 -8.101 1.00 0.00 H new ATOM 0 HA ILE A 13 6.877 26.140 -8.572 1.00 0.00 H new ATOM 0 HB ILE A 13 8.071 25.412 -5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.236 25.300 -7.010 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.274 23.923 -6.699 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.618 27.162 -4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.849 27.847 -6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.165 27.685 -6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.638 24.218 -4.872 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.294 24.470 -4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.240 25.869 -4.587 1.00 0.00 H new ATOM 200 N LYS A 14 8.439 28.167 -8.428 1.00 0.00 N ATOM 201 CA LYS A 14 9.365 29.282 -8.542 1.00 0.00 C ATOM 202 C LYS A 14 8.706 30.551 -8.017 1.00 0.00 C ATOM 203 O LYS A 14 7.533 30.801 -8.287 1.00 0.00 O ATOM 204 CB LYS A 14 9.821 29.432 -9.998 1.00 0.00 C ATOM 205 CG LYS A 14 10.725 30.658 -10.161 1.00 0.00 C ATOM 206 CD LYS A 14 11.315 30.728 -11.572 1.00 0.00 C ATOM 207 CE LYS A 14 10.216 30.800 -12.630 1.00 0.00 C ATOM 208 NZ LYS A 14 10.787 30.891 -13.989 1.00 0.00 N ATOM 0 H LYS A 14 7.465 28.424 -8.586 1.00 0.00 H new ATOM 0 HA LYS A 14 10.252 29.094 -7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.357 28.535 -10.310 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.951 29.527 -10.648 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.154 31.564 -9.958 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.531 30.618 -9.429 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.961 31.602 -11.655 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.939 29.852 -11.752 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.580 29.917 -12.558 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.582 31.666 -12.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.017 30.939 -14.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.374 31.746 -14.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.373 30.052 -14.176 1.00 0.00 H new ATOM 222 N GLN A 15 9.464 31.351 -7.266 1.00 0.00 N ATOM 223 CA GLN A 15 8.970 32.594 -6.699 1.00 0.00 C ATOM 224 C GLN A 15 10.132 33.543 -6.419 1.00 0.00 C ATOM 225 O GLN A 15 11.259 33.101 -6.196 1.00 0.00 O ATOM 226 CB GLN A 15 8.162 32.283 -5.435 1.00 0.00 C ATOM 227 CG GLN A 15 7.674 33.553 -4.727 1.00 0.00 C ATOM 228 CD GLN A 15 6.863 34.444 -5.656 1.00 0.00 C ATOM 229 OE1 GLN A 15 6.056 33.964 -6.450 1.00 0.00 O ATOM 230 NE2 GLN A 15 7.066 35.754 -5.570 1.00 0.00 N ATOM 0 H GLN A 15 10.437 31.150 -7.037 1.00 0.00 H new ATOM 0 HA GLN A 15 8.311 33.095 -7.408 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.304 31.664 -5.698 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.776 31.700 -4.748 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.066 33.277 -3.866 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.531 34.109 -4.347 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.742 36.122 -4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.545 36.391 -6.173 1.00 0.00 H new ATOM 239 N TRP A 16 9.850 34.849 -6.429 1.00 0.00 N ATOM 240 CA TRP A 16 10.839 35.889 -6.183 1.00 0.00 C ATOM 241 C TRP A 16 10.802 36.340 -4.728 1.00 0.00 C ATOM 242 O TRP A 16 9.748 36.310 -4.092 1.00 0.00 O ATOM 243 CB TRP A 16 10.547 37.068 -7.114 1.00 0.00 C ATOM 244 CG TRP A 16 10.528 36.720 -8.567 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.490 36.158 -9.228 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.602 36.837 -9.551 1.00 0.00 C ATOM 247 NE1 TRP A 16 9.845 35.921 -10.539 1.00 0.00 N ATOM 248 CE2 TRP A 16 11.136 36.334 -10.800 1.00 0.00 C ATOM 249 CE3 TRP A 16 12.916 37.336 -9.515 1.00 0.00 C ATOM 250 CZ2 TRP A 16 11.931 36.321 -11.952 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.717 37.334 -10.664 1.00 0.00 C ATOM 252 CH2 TRP A 16 13.232 36.828 -11.881 1.00 0.00 C ATOM 0 H TRP A 16 8.915 35.213 -6.611 1.00 0.00 H new ATOM 0 HA TRP A 16 11.836 35.496 -6.381 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.583 37.498 -6.844 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.298 37.840 -6.948 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.528 35.929 -8.794 1.00 0.00 H new ATOM 0 HE1 TRP A 16 9.230 35.493 -11.231 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.313 37.726 -8.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.546 35.926 -12.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.722 37.727 -10.613 1.00 0.00 H new ATOM 0 HH2 TRP A 16 13.862 36.831 -12.759 1.00 0.00 H new ATOM 263 N ILE A 17 11.956 36.758 -4.210 1.00 0.00 N ATOM 264 CA ILE A 17 12.076 37.350 -2.883 1.00 0.00 C ATOM 265 C ILE A 17 12.952 38.597 -2.992 1.00 0.00 C ATOM 266 O ILE A 17 13.945 38.584 -3.721 1.00 0.00 O ATOM 267 CB ILE A 17 12.675 36.363 -1.867 1.00 0.00 C ATOM 268 CG1 ILE A 17 13.804 35.534 -2.489 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.586 35.444 -1.309 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.545 34.729 -1.424 1.00 0.00 C ATOM 0 H ILE A 17 12.844 36.693 -4.708 1.00 0.00 H new ATOM 0 HA ILE A 17 11.082 37.612 -2.521 1.00 0.00 H new ATOM 0 HB ILE A 17 13.100 36.945 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.393 34.859 -3.239 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.503 36.194 -3.003 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.027 34.752 -0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.823 36.044 -0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.132 34.881 -2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.341 34.150 -1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 17 14.976 35.408 -0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 17 13.848 34.053 -0.929 1.00 0.00 H new ATOM 282 N PRO A 18 12.604 39.679 -2.285 1.00 0.00 N ATOM 283 CA PRO A 18 13.387 40.900 -2.285 1.00 0.00 C ATOM 284 C PRO A 18 14.734 40.641 -1.615 1.00 0.00 C ATOM 285 O PRO A 18 14.854 39.757 -0.767 1.00 0.00 O ATOM 286 CB PRO A 18 12.544 41.929 -1.529 1.00 0.00 C ATOM 287 CG PRO A 18 11.689 41.069 -0.600 1.00 0.00 C ATOM 288 CD PRO A 18 11.445 39.805 -1.422 1.00 0.00 C ATOM 0 HA PRO A 18 13.611 41.264 -3.288 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.167 42.627 -0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.930 42.522 -2.207 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.206 40.849 0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 18 10.755 41.566 -0.338 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.337 38.932 -0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.528 39.886 -2.005 1.00 0.00 H new ATOM 296 N THR A 19 15.751 41.416 -1.997 1.00 0.00 N ATOM 297 CA THR A 19 17.116 41.194 -1.544 1.00 0.00 C ATOM 298 C THR A 19 17.337 41.200 -0.034 1.00 0.00 C ATOM 299 O THR A 19 18.324 40.650 0.454 1.00 0.00 O ATOM 300 CB THR A 19 18.105 42.101 -2.283 1.00 0.00 C ATOM 301 OG1 THR A 19 17.587 42.470 -3.541 1.00 0.00 O ATOM 302 CG2 THR A 19 19.451 41.409 -2.478 1.00 0.00 C ATOM 0 H THR A 19 15.647 42.211 -2.627 1.00 0.00 H new ATOM 0 HA THR A 19 17.320 40.158 -1.815 1.00 0.00 H new ATOM 0 HB THR A 19 18.254 42.991 -1.672 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.228 43.051 -4.001 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.131 42.078 -3.005 1.00 0.00 H new ATOM 0 HG22 THR A 19 19.873 41.154 -1.506 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.311 40.499 -3.062 1.00 0.00 H new ATOM 310 N THR A 20 16.418 41.818 0.714 1.00 0.00 N ATOM 311 CA THR A 20 16.485 41.858 2.171 1.00 0.00 C ATOM 312 C THR A 20 16.114 40.545 2.855 1.00 0.00 C ATOM 313 O THR A 20 16.362 40.369 4.046 1.00 0.00 O ATOM 314 CB THR A 20 15.682 43.054 2.696 1.00 0.00 C ATOM 315 OG1 THR A 20 16.109 43.371 4.003 1.00 0.00 O ATOM 316 CG2 THR A 20 14.184 42.740 2.731 1.00 0.00 C ATOM 0 H THR A 20 15.610 42.303 0.324 1.00 0.00 H new ATOM 0 HA THR A 20 17.532 41.997 2.439 1.00 0.00 H new ATOM 0 HB THR A 20 15.850 43.896 2.024 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.292 42.545 4.497 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.639 43.606 3.107 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.838 42.503 1.725 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.006 41.887 3.386 1.00 0.00 H new ATOM 324 N GLU A 21 15.518 39.613 2.103 1.00 0.00 N ATOM 325 CA GLU A 21 15.118 38.318 2.633 1.00 0.00 C ATOM 326 C GLU A 21 16.104 37.229 2.214 1.00 0.00 C ATOM 327 O GLU A 21 16.171 36.178 2.850 1.00 0.00 O ATOM 328 CB GLU A 21 13.712 37.982 2.124 1.00 0.00 C ATOM 329 CG GLU A 21 12.675 39.050 2.491 1.00 0.00 C ATOM 330 CD GLU A 21 12.485 39.255 3.995 1.00 0.00 C ATOM 331 OE1 GLU A 21 13.024 38.448 4.779 1.00 0.00 O ATOM 332 OE2 GLU A 21 11.792 40.235 4.352 1.00 0.00 O ATOM 0 H GLU A 21 15.303 39.741 1.114 1.00 0.00 H new ATOM 0 HA GLU A 21 15.115 38.365 3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.741 37.868 1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.401 37.023 2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.973 39.998 2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.717 38.775 2.050 1.00 0.00 H new ATOM 339 N VAL A 22 16.878 37.461 1.146 1.00 0.00 N ATOM 340 CA VAL A 22 17.840 36.474 0.669 1.00 0.00 C ATOM 341 C VAL A 22 18.960 36.247 1.680 1.00 0.00 C ATOM 342 O VAL A 22 19.526 35.157 1.754 1.00 0.00 O ATOM 343 CB VAL A 22 18.407 36.894 -0.692 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.210 35.750 -1.320 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.299 37.288 -1.669 1.00 0.00 C ATOM 0 H VAL A 22 16.853 38.323 0.601 1.00 0.00 H new ATOM 0 HA VAL A 22 17.315 35.526 0.549 1.00 0.00 H new ATOM 0 HB VAL A 22 19.051 37.755 -0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 22 19.604 36.069 -2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.036 35.481 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 22 18.562 34.885 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 22 17.741 37.579 -2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.631 36.440 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.734 38.126 -1.260 1.00 0.00 H new ATOM 355 N GLY A 23 19.276 37.282 2.465 1.00 0.00 N ATOM 356 CA GLY A 23 20.334 37.213 3.459 1.00 0.00 C ATOM 357 C GLY A 23 19.947 36.340 4.650 1.00 0.00 C ATOM 358 O GLY A 23 20.805 36.003 5.463 1.00 0.00 O ATOM 0 H GLY A 23 18.803 38.185 2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.239 36.816 2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.569 38.218 3.808 1.00 0.00 H new ATOM 362 N LYS A 24 18.667 35.969 4.759 1.00 0.00 N ATOM 363 CA LYS A 24 18.194 35.108 5.836 1.00 0.00 C ATOM 364 C LYS A 24 18.230 33.642 5.413 1.00 0.00 C ATOM 365 O LYS A 24 18.210 32.755 6.265 1.00 0.00 O ATOM 366 CB LYS A 24 16.773 35.513 6.228 1.00 0.00 C ATOM 367 CG LYS A 24 16.707 36.988 6.632 1.00 0.00 C ATOM 368 CD LYS A 24 15.261 37.362 6.946 1.00 0.00 C ATOM 369 CE LYS A 24 15.146 38.866 7.184 1.00 0.00 C ATOM 370 NZ LYS A 24 13.736 39.278 7.312 1.00 0.00 N ATOM 0 H LYS A 24 17.938 36.257 4.106 1.00 0.00 H new ATOM 0 HA LYS A 24 18.853 35.227 6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.097 35.332 5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.430 34.891 7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.338 37.167 7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.090 37.615 5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.614 37.066 6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.921 36.820 7.828 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.690 39.137 8.089 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.612 39.404 6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.687 40.304 7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.224 39.040 6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.301 38.781 8.115 1.00 0.00 H new ATOM 384 N ILE A 25 18.279 33.384 4.103 1.00 0.00 N ATOM 385 CA ILE A 25 18.257 32.030 3.568 1.00 0.00 C ATOM 386 C ILE A 25 19.673 31.529 3.281 1.00 0.00 C ATOM 387 O ILE A 25 19.936 30.336 3.412 1.00 0.00 O ATOM 388 CB ILE A 25 17.412 32.001 2.284 1.00 0.00 C ATOM 389 CG1 ILE A 25 16.015 32.591 2.518 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.301 30.568 1.756 1.00 0.00 C ATOM 391 CD1 ILE A 25 15.248 32.730 1.204 1.00 0.00 C ATOM 0 H ILE A 25 18.335 34.110 3.389 1.00 0.00 H new ATOM 0 HA ILE A 25 17.813 31.368 4.312 1.00 0.00 H new ATOM 0 HB ILE A 25 17.914 32.618 1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.457 31.952 3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.105 33.567 2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 25 16.700 30.561 0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.297 30.183 1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 25 16.827 29.939 2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.262 33.151 1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.796 33.389 0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.138 31.749 0.741 1.00 0.00 H new ATOM 403 N LEU A 26 20.579 32.435 2.889 1.00 0.00 N ATOM 404 CA LEU A 26 21.929 32.084 2.465 1.00 0.00 C ATOM 405 C LEU A 26 23.012 32.741 3.321 1.00 0.00 C ATOM 406 O LEU A 26 24.196 32.480 3.120 1.00 0.00 O ATOM 407 CB LEU A 26 22.117 32.493 0.997 1.00 0.00 C ATOM 408 CG LEU A 26 21.005 31.991 0.073 1.00 0.00 C ATOM 409 CD1 LEU A 26 21.275 32.517 -1.334 1.00 0.00 C ATOM 410 CD2 LEU A 26 20.971 30.464 0.048 1.00 0.00 C ATOM 0 H LEU A 26 20.388 33.437 2.859 1.00 0.00 H new ATOM 0 HA LEU A 26 22.038 31.006 2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.166 33.580 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 26 23.074 32.110 0.642 1.00 0.00 H new ATOM 0 HG LEU A 26 20.042 32.348 0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 26 20.492 32.170 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 26 21.284 33.607 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.241 32.151 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.173 30.129 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 26 21.927 30.085 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.789 30.088 1.055 1.00 0.00 H new ATOM 422 N GLY A 27 22.626 33.595 4.273 1.00 0.00 N ATOM 423 CA GLY A 27 23.566 34.368 5.076 1.00 0.00 C ATOM 424 C GLY A 27 24.254 33.553 6.172 1.00 0.00 C ATOM 425 O GLY A 27 24.968 34.117 6.997 1.00 0.00 O ATOM 0 H GLY A 27 21.648 33.767 4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.326 34.793 4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 27 23.037 35.203 5.535 1.00 0.00 H new ATOM 429 N ASN A 28 24.047 32.233 6.188 1.00 0.00 N ATOM 430 CA ASN A 28 24.597 31.352 7.205 1.00 0.00 C ATOM 431 C ASN A 28 24.998 30.004 6.607 1.00 0.00 C ATOM 432 O ASN A 28 24.611 28.953 7.115 1.00 0.00 O ATOM 433 CB ASN A 28 23.607 31.211 8.364 1.00 0.00 C ATOM 434 CG ASN A 28 22.189 30.899 7.899 1.00 0.00 C ATOM 435 OD1 ASN A 28 21.979 30.324 6.831 1.00 0.00 O ATOM 436 ND2 ASN A 28 21.199 31.280 8.700 1.00 0.00 N ATOM 0 H ASN A 28 23.487 31.748 5.486 1.00 0.00 H new ATOM 0 HA ASN A 28 25.510 31.793 7.605 1.00 0.00 H new ATOM 0 HB2 ASN A 28 23.947 30.419 9.032 1.00 0.00 H new ATOM 0 HB3 ASN A 28 23.599 32.135 8.943 1.00 0.00 H new ATOM 0 HD21 ASN A 28 20.231 31.098 8.436 1.00 0.00 H new ATOM 0 HD22 ASN A 28 21.408 31.755 9.578 1.00 0.00 H new ATOM 443 N ARG A 29 25.770 30.041 5.514 1.00 0.00 N ATOM 444 CA ARG A 29 26.158 28.849 4.763 1.00 0.00 C ATOM 445 C ARG A 29 24.920 28.085 4.290 1.00 0.00 C ATOM 446 O ARG A 29 24.951 26.864 4.141 1.00 0.00 O ATOM 447 CB ARG A 29 27.122 27.972 5.573 1.00 0.00 C ATOM 448 CG ARG A 29 28.327 28.756 6.103 1.00 0.00 C ATOM 449 CD ARG A 29 29.139 29.369 4.962 1.00 0.00 C ATOM 450 NE ARG A 29 30.322 30.072 5.475 1.00 0.00 N ATOM 451 CZ ARG A 29 31.555 29.559 5.538 1.00 0.00 C ATOM 452 NH1 ARG A 29 31.800 28.312 5.138 1.00 0.00 N ATOM 453 NH2 ARG A 29 32.564 30.293 6.006 1.00 0.00 N ATOM 0 H ARG A 29 26.144 30.907 5.126 1.00 0.00 H new ATOM 0 HA ARG A 29 26.702 29.160 3.871 1.00 0.00 H new ATOM 0 HB2 ARG A 29 26.586 27.527 6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.474 27.151 4.948 1.00 0.00 H new ATOM 0 HG2 ARG A 29 27.984 29.545 6.772 1.00 0.00 H new ATOM 0 HG3 ARG A 29 28.964 28.094 6.690 1.00 0.00 H new ATOM 0 HD2 ARG A 29 29.449 28.586 4.270 1.00 0.00 H new ATOM 0 HD3 ARG A 29 28.515 30.063 4.399 1.00 0.00 H new ATOM 0 HE ARG A 29 30.193 31.027 5.810 1.00 0.00 H new ATOM 0 HH11 ARG A 29 31.041 27.734 4.777 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.746 27.936 5.193 1.00 0.00 H new ATOM 0 HH21 ARG A 29 32.397 31.250 6.318 1.00 0.00 H new ATOM 0 HH22 ARG A 29 33.503 29.898 6.053 1.00 0.00 H new ATOM 467 N ALA A 30 23.831 28.824 4.058 1.00 0.00 N ATOM 468 CA ALA A 30 22.544 28.295 3.636 1.00 0.00 C ATOM 469 C ALA A 30 21.986 27.244 4.591 1.00 0.00 C ATOM 470 O ALA A 30 21.220 26.375 4.174 1.00 0.00 O ATOM 471 CB ALA A 30 22.626 27.819 2.185 1.00 0.00 C ATOM 0 H ALA A 30 23.828 29.838 4.164 1.00 0.00 H new ATOM 0 HA ALA A 30 21.815 29.104 3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.658 27.424 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 30 22.898 28.656 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.380 27.037 2.101 1.00 0.00 H new ATOM 477 N ALA A 31 22.361 27.304 5.872 1.00 0.00 N ATOM 478 CA ALA A 31 21.908 26.335 6.860 1.00 0.00 C ATOM 479 C ALA A 31 20.385 26.368 7.011 1.00 0.00 C ATOM 480 O ALA A 31 19.788 25.365 7.401 1.00 0.00 O ATOM 481 CB ALA A 31 22.583 26.651 8.193 1.00 0.00 C ATOM 0 H ALA A 31 22.982 28.021 6.246 1.00 0.00 H new ATOM 0 HA ALA A 31 22.179 25.332 6.531 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.255 25.934 8.946 1.00 0.00 H new ATOM 0 HB2 ALA A 31 23.665 26.586 8.077 1.00 0.00 H new ATOM 0 HB3 ALA A 31 22.312 27.658 8.508 1.00 0.00 H new ATOM 487 N VAL A 32 19.751 27.503 6.706 1.00 0.00 N ATOM 488 CA VAL A 32 18.302 27.629 6.792 1.00 0.00 C ATOM 489 C VAL A 32 17.683 26.880 5.614 1.00 0.00 C ATOM 490 O VAL A 32 16.658 26.218 5.776 1.00 0.00 O ATOM 491 CB VAL A 32 17.931 29.116 6.741 1.00 0.00 C ATOM 492 CG1 VAL A 32 16.455 29.331 6.399 1.00 0.00 C ATOM 493 CG2 VAL A 32 18.215 29.744 8.105 1.00 0.00 C ATOM 0 H VAL A 32 20.226 28.351 6.396 1.00 0.00 H new ATOM 0 HA VAL A 32 17.927 27.205 7.724 1.00 0.00 H new ATOM 0 HB VAL A 32 18.529 29.582 5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.239 30.399 6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.240 28.895 5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.833 28.852 7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 32 17.955 30.802 8.080 1.00 0.00 H new ATOM 0 HG22 VAL A 32 17.620 29.242 8.868 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.274 29.637 8.342 1.00 0.00 H new ATOM 503 N LYS A 33 18.291 26.969 4.426 1.00 0.00 N ATOM 504 CA LYS A 33 17.766 26.285 3.254 1.00 0.00 C ATOM 505 C LYS A 33 17.961 24.782 3.407 1.00 0.00 C ATOM 506 O LYS A 33 17.087 23.998 3.049 1.00 0.00 O ATOM 507 CB LYS A 33 18.495 26.805 2.012 1.00 0.00 C ATOM 508 CG LYS A 33 17.849 26.266 0.733 1.00 0.00 C ATOM 509 CD LYS A 33 18.589 26.788 -0.503 1.00 0.00 C ATOM 510 CE LYS A 33 19.954 26.114 -0.666 1.00 0.00 C ATOM 511 NZ LYS A 33 19.810 24.691 -1.021 1.00 0.00 N ATOM 0 H LYS A 33 19.142 27.506 4.258 1.00 0.00 H new ATOM 0 HA LYS A 33 16.699 26.481 3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.474 27.895 2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.543 26.506 2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.866 25.176 0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.802 26.568 0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.985 26.609 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.722 27.867 -0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.526 26.628 -1.439 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.519 26.204 0.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.748 24.283 -1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.361 24.181 -0.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.219 24.604 -1.872 1.00 0.00 H new ATOM 525 N LYS A 34 19.117 24.386 3.943 1.00 0.00 N ATOM 526 CA LYS A 34 19.473 22.986 4.136 1.00 0.00 C ATOM 527 C LYS A 34 18.616 22.311 5.204 1.00 0.00 C ATOM 528 O LYS A 34 18.480 21.088 5.193 1.00 0.00 O ATOM 529 CB LYS A 34 20.957 22.901 4.506 1.00 0.00 C ATOM 530 CG LYS A 34 21.829 23.316 3.320 1.00 0.00 C ATOM 531 CD LYS A 34 23.275 23.511 3.775 1.00 0.00 C ATOM 532 CE LYS A 34 24.137 23.925 2.587 1.00 0.00 C ATOM 533 NZ LYS A 34 25.508 24.264 3.012 1.00 0.00 N ATOM 0 H LYS A 34 19.837 25.037 4.257 1.00 0.00 H new ATOM 0 HA LYS A 34 19.285 22.453 3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 34 21.163 23.547 5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 34 21.205 21.884 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.784 22.555 2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.449 24.240 2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.322 24.273 4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.657 22.587 4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 34 24.170 23.115 1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.686 24.783 2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 26.139 24.260 2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.513 25.209 3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.840 23.563 3.704 1.00 0.00 H new ATOM 547 N HIS A 35 18.035 23.085 6.129 1.00 0.00 N ATOM 548 CA HIS A 35 17.176 22.512 7.154 1.00 0.00 C ATOM 549 C HIS A 35 15.778 22.253 6.602 1.00 0.00 C ATOM 550 O HIS A 35 15.156 21.252 6.951 1.00 0.00 O ATOM 551 CB HIS A 35 17.096 23.456 8.350 1.00 0.00 C ATOM 552 CG HIS A 35 16.341 22.841 9.499 1.00 0.00 C ATOM 553 ND1 HIS A 35 16.852 21.940 10.417 1.00 0.00 N ATOM 554 CD2 HIS A 35 15.033 23.072 9.824 1.00 0.00 C ATOM 555 CE1 HIS A 35 15.867 21.626 11.280 1.00 0.00 C ATOM 556 NE2 HIS A 35 14.752 22.302 10.936 1.00 0.00 N ATOM 0 H HIS A 35 18.146 24.097 6.183 1.00 0.00 H new ATOM 0 HA HIS A 35 17.603 21.561 7.473 1.00 0.00 H new ATOM 0 HB2 HIS A 35 18.103 23.717 8.675 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.608 24.383 8.049 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.350 23.731 9.309 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.956 20.944 12.112 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.853 22.253 11.416 1.00 0.00 H new ATOM 565 N ILE A 36 15.278 23.142 5.740 1.00 0.00 N ATOM 566 CA ILE A 36 13.947 22.997 5.168 1.00 0.00 C ATOM 567 C ILE A 36 13.915 21.817 4.190 1.00 0.00 C ATOM 568 O ILE A 36 12.877 21.190 4.003 1.00 0.00 O ATOM 569 CB ILE A 36 13.531 24.320 4.513 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.298 25.357 5.621 1.00 0.00 C ATOM 571 CG2 ILE A 36 12.260 24.154 3.670 1.00 0.00 C ATOM 572 CD1 ILE A 36 13.036 26.750 5.055 1.00 0.00 C ATOM 0 H ILE A 36 15.781 23.971 5.425 1.00 0.00 H new ATOM 0 HA ILE A 36 13.222 22.773 5.951 1.00 0.00 H new ATOM 0 HB ILE A 36 14.324 24.651 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.450 25.049 6.233 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.169 25.390 6.276 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.994 25.111 3.221 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.438 23.421 2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.443 23.812 4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.877 27.451 5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.895 27.070 4.465 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.149 26.724 4.421 1.00 0.00 H new ATOM 584 N GLU A 37 15.056 21.506 3.568 1.00 0.00 N ATOM 585 CA GLU A 37 15.169 20.353 2.686 1.00 0.00 C ATOM 586 C GLU A 37 15.060 19.046 3.473 1.00 0.00 C ATOM 587 O GLU A 37 14.703 18.012 2.904 1.00 0.00 O ATOM 588 CB GLU A 37 16.505 20.412 1.945 1.00 0.00 C ATOM 589 CG GLU A 37 16.505 21.577 0.954 1.00 0.00 C ATOM 590 CD GLU A 37 17.879 21.801 0.324 1.00 0.00 C ATOM 591 OE1 GLU A 37 18.836 21.093 0.717 1.00 0.00 O ATOM 592 OE2 GLU A 37 17.968 22.687 -0.554 1.00 0.00 O ATOM 0 H GLU A 37 15.917 22.044 3.664 1.00 0.00 H new ATOM 0 HA GLU A 37 14.350 20.380 1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.320 20.531 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.678 19.475 1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.775 21.383 0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.189 22.486 1.465 1.00 0.00 H new ATOM 599 N ARG A 38 15.363 19.085 4.775 1.00 0.00 N ATOM 600 CA ARG A 38 15.252 17.927 5.652 1.00 0.00 C ATOM 601 C ARG A 38 13.925 17.922 6.407 1.00 0.00 C ATOM 602 O ARG A 38 13.518 16.895 6.943 1.00 0.00 O ATOM 603 CB ARG A 38 16.436 17.912 6.619 1.00 0.00 C ATOM 604 CG ARG A 38 17.745 17.698 5.856 1.00 0.00 C ATOM 605 CD ARG A 38 18.930 17.753 6.821 1.00 0.00 C ATOM 606 NE ARG A 38 20.164 17.278 6.177 1.00 0.00 N ATOM 607 CZ ARG A 38 20.825 17.918 5.208 1.00 0.00 C ATOM 608 NH1 ARG A 38 20.413 19.095 4.749 1.00 0.00 N ATOM 609 NH2 ARG A 38 21.919 17.370 4.686 1.00 0.00 N ATOM 0 H ARG A 38 15.693 19.927 5.247 1.00 0.00 H new ATOM 0 HA ARG A 38 15.273 17.022 5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 38 16.477 18.853 7.168 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.303 17.119 7.355 1.00 0.00 H new ATOM 0 HG2 ARG A 38 17.725 16.734 5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 38 17.856 18.463 5.087 1.00 0.00 H new ATOM 0 HD2 ARG A 38 19.070 18.776 7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 38 18.716 17.142 7.698 1.00 0.00 H new ATOM 0 HE ARG A 38 20.546 16.388 6.496 1.00 0.00 H new ATOM 0 HH11 ARG A 38 19.575 19.529 5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 38 20.934 19.565 4.009 1.00 0.00 H new ATOM 0 HH21 ARG A 38 22.249 16.466 5.026 1.00 0.00 H new ATOM 0 HH22 ARG A 38 22.428 17.853 3.946 1.00 0.00 H new ATOM 623 N GLN A 39 13.250 19.074 6.449 1.00 0.00 N ATOM 624 CA GLN A 39 11.958 19.224 7.097 1.00 0.00 C ATOM 625 C GLN A 39 10.833 18.691 6.212 1.00 0.00 C ATOM 626 O GLN A 39 9.806 18.247 6.717 1.00 0.00 O ATOM 627 CB GLN A 39 11.751 20.710 7.388 1.00 0.00 C ATOM 628 CG GLN A 39 10.376 21.005 7.982 1.00 0.00 C ATOM 629 CD GLN A 39 10.231 22.481 8.345 1.00 0.00 C ATOM 630 OE1 GLN A 39 11.213 23.185 8.572 1.00 0.00 O ATOM 631 NE2 GLN A 39 8.997 22.969 8.407 1.00 0.00 N ATOM 0 H GLN A 39 13.596 19.936 6.027 1.00 0.00 H new ATOM 0 HA GLN A 39 11.939 18.648 8.022 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.522 21.052 8.078 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.874 21.278 6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.602 20.727 7.267 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.223 20.393 8.871 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.199 22.364 8.214 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.848 23.949 8.647 1.00 0.00 H new ATOM 640 N PHE A 40 11.034 18.737 4.890 1.00 0.00 N ATOM 641 CA PHE A 40 10.038 18.315 3.915 1.00 0.00 C ATOM 642 C PHE A 40 10.536 17.339 2.854 1.00 0.00 C ATOM 643 O PHE A 40 9.820 17.026 1.905 1.00 0.00 O ATOM 644 CB PHE A 40 9.334 19.534 3.311 1.00 0.00 C ATOM 645 CG PHE A 40 8.447 20.288 4.276 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.717 21.635 4.562 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.358 19.655 4.891 1.00 0.00 C ATOM 648 CE1 PHE A 40 7.894 22.348 5.442 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.540 20.365 5.779 1.00 0.00 C ATOM 650 CZ PHE A 40 6.806 21.713 6.055 1.00 0.00 C ATOM 0 H PHE A 40 11.901 19.072 4.470 1.00 0.00 H new ATOM 0 HA PHE A 40 9.309 17.725 4.471 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.089 20.217 2.921 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.732 19.207 2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.563 22.124 4.101 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.149 18.617 4.679 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.098 23.388 5.648 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.703 19.873 6.252 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.174 22.261 6.738 1.00 0.00 H new ATOM 660 N ASN A 41 11.773 16.857 3.016 1.00 0.00 N ATOM 661 CA ASN A 41 12.439 15.980 2.058 1.00 0.00 C ATOM 662 C ASN A 41 12.519 16.602 0.659 1.00 0.00 C ATOM 663 O ASN A 41 12.756 15.901 -0.323 1.00 0.00 O ATOM 664 CB ASN A 41 11.790 14.592 2.058 1.00 0.00 C ATOM 665 CG ASN A 41 11.856 13.925 3.428 1.00 0.00 C ATOM 666 OD1 ASN A 41 12.666 14.294 4.274 1.00 0.00 O ATOM 667 ND2 ASN A 41 10.998 12.934 3.652 1.00 0.00 N ATOM 0 H ASN A 41 12.346 17.072 3.832 1.00 0.00 H new ATOM 0 HA ASN A 41 13.473 15.854 2.378 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.749 14.680 1.748 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.289 13.960 1.324 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.998 12.453 4.551 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.340 12.655 2.925 1.00 0.00 H new ATOM 674 N CYS A 42 12.319 17.920 0.567 1.00 0.00 N ATOM 675 CA CYS A 42 12.341 18.653 -0.687 1.00 0.00 C ATOM 676 C CYS A 42 13.765 19.095 -1.020 1.00 0.00 C ATOM 677 O CYS A 42 14.710 18.795 -0.293 1.00 0.00 O ATOM 678 CB CYS A 42 11.416 19.864 -0.554 1.00 0.00 C ATOM 679 SG CYS A 42 12.100 21.039 0.643 1.00 0.00 S ATOM 0 H CYS A 42 12.135 18.510 1.378 1.00 0.00 H new ATOM 0 HA CYS A 42 11.995 18.014 -1.499 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.296 20.348 -1.523 1.00 0.00 H new ATOM 0 HB3 CYS A 42 10.425 19.542 -0.234 1.00 0.00 H new ATOM 0 HG CYS A 42 12.117 22.230 0.121 1.00 0.00 H new ATOM 685 N VAL A 43 13.907 19.819 -2.131 1.00 0.00 N ATOM 686 CA VAL A 43 15.164 20.426 -2.543 1.00 0.00 C ATOM 687 C VAL A 43 14.871 21.872 -2.926 1.00 0.00 C ATOM 688 O VAL A 43 13.817 22.151 -3.495 1.00 0.00 O ATOM 689 CB VAL A 43 15.772 19.646 -3.712 1.00 0.00 C ATOM 690 CG1 VAL A 43 17.013 20.350 -4.261 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.163 18.238 -3.266 1.00 0.00 C ATOM 0 H VAL A 43 13.138 20.000 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 43 15.893 20.401 -1.733 1.00 0.00 H new ATOM 0 HB VAL A 43 15.017 19.592 -4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.422 19.772 -5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.741 21.346 -4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.762 20.435 -3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.594 17.696 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.896 18.301 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.278 17.711 -2.909 1.00 0.00 H new ATOM 701 N ILE A 44 15.794 22.787 -2.621 1.00 0.00 N ATOM 702 CA ILE A 44 15.604 24.204 -2.904 1.00 0.00 C ATOM 703 C ILE A 44 16.854 24.777 -3.572 1.00 0.00 C ATOM 704 O ILE A 44 17.975 24.433 -3.194 1.00 0.00 O ATOM 705 CB ILE A 44 15.255 24.958 -1.614 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.978 24.383 -0.989 1.00 0.00 C ATOM 707 CG2 ILE A 44 15.080 26.454 -1.904 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.620 25.062 0.336 1.00 0.00 C ATOM 0 H ILE A 44 16.684 22.566 -2.175 1.00 0.00 H new ATOM 0 HA ILE A 44 14.771 24.327 -3.596 1.00 0.00 H new ATOM 0 HB ILE A 44 16.074 24.834 -0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.150 24.499 -1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.108 23.314 -0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.833 26.977 -0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.007 26.856 -2.312 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.276 26.593 -2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.709 24.619 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.434 24.924 1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.462 26.127 0.168 1.00 0.00 H new ATOM 720 N THR A 45 16.651 25.651 -4.559 1.00 0.00 N ATOM 721 CA THR A 45 17.731 26.279 -5.305 1.00 0.00 C ATOM 722 C THR A 45 17.550 27.767 -5.555 1.00 0.00 C ATOM 723 O THR A 45 16.725 28.163 -6.375 1.00 0.00 O ATOM 724 CB THR A 45 18.038 25.517 -6.600 1.00 0.00 C ATOM 725 OG1 THR A 45 17.885 24.125 -6.419 1.00 0.00 O ATOM 726 CG2 THR A 45 19.451 25.830 -7.081 1.00 0.00 C ATOM 0 H THR A 45 15.722 25.942 -4.862 1.00 0.00 H new ATOM 0 HA THR A 45 18.601 26.212 -4.652 1.00 0.00 H new ATOM 0 HB THR A 45 17.326 25.844 -7.358 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.085 23.662 -7.259 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.652 25.281 -8.001 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.543 26.900 -7.269 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.170 25.533 -6.317 1.00 0.00 H new ATOM 734 N VAL A 46 18.323 28.593 -4.847 1.00 0.00 N ATOM 735 CA VAL A 46 18.310 30.032 -5.066 1.00 0.00 C ATOM 736 C VAL A 46 19.139 30.407 -6.291 1.00 0.00 C ATOM 737 O VAL A 46 20.124 29.733 -6.600 1.00 0.00 O ATOM 738 CB VAL A 46 18.733 30.800 -3.807 1.00 0.00 C ATOM 739 CG1 VAL A 46 18.390 32.285 -3.957 1.00 0.00 C ATOM 740 CG2 VAL A 46 18.014 30.257 -2.573 1.00 0.00 C ATOM 0 H VAL A 46 18.965 28.285 -4.117 1.00 0.00 H new ATOM 0 HA VAL A 46 17.283 30.332 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 46 19.809 30.674 -3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.694 32.821 -3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 46 18.916 32.695 -4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.315 32.398 -4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 46 18.330 30.817 -1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.937 30.363 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.262 29.204 -2.442 1.00 0.00 H new ATOM 750 N HIS A 47 18.746 31.478 -6.988 1.00 0.00 N ATOM 751 CA HIS A 47 19.380 31.895 -8.229 1.00 0.00 C ATOM 752 C HIS A 47 19.776 33.366 -8.166 1.00 0.00 C ATOM 753 O HIS A 47 19.266 34.189 -8.928 1.00 0.00 O ATOM 754 CB HIS A 47 18.438 31.568 -9.388 1.00 0.00 C ATOM 755 CG HIS A 47 18.404 30.099 -9.714 1.00 0.00 C ATOM 756 ND1 HIS A 47 19.409 29.385 -10.339 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.372 29.235 -9.469 1.00 0.00 C ATOM 758 CE1 HIS A 47 18.995 28.110 -10.471 1.00 0.00 C ATOM 759 NE2 HIS A 47 17.757 28.000 -9.951 1.00 0.00 N ATOM 0 H HIS A 47 17.974 32.079 -6.700 1.00 0.00 H new ATOM 0 HA HIS A 47 20.310 31.350 -8.389 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.432 31.904 -9.138 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.749 32.125 -10.272 1.00 0.00 H new ATOM 0 HD1 HIS A 47 20.307 29.758 -10.646 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.434 29.474 -8.990 1.00 0.00 H new ATOM 0 HE1 HIS A 47 19.562 27.308 -10.920 1.00 0.00 H new ATOM 0 HE2 HIS A 47 17.198 27.147 -9.919 1.00 0.00 H new ATOM 768 N THR A 48 20.693 33.694 -7.252 1.00 0.00 N ATOM 769 CA THR A 48 21.161 35.065 -7.055 1.00 0.00 C ATOM 770 C THR A 48 21.844 35.712 -8.258 1.00 0.00 C ATOM 771 O THR A 48 22.057 36.924 -8.268 1.00 0.00 O ATOM 772 CB THR A 48 21.993 35.213 -5.778 1.00 0.00 C ATOM 773 OG1 THR A 48 23.358 35.023 -6.076 1.00 0.00 O ATOM 774 CG2 THR A 48 21.597 34.214 -4.687 1.00 0.00 C ATOM 0 H THR A 48 21.131 33.015 -6.629 1.00 0.00 H new ATOM 0 HA THR A 48 20.241 35.638 -6.934 1.00 0.00 H new ATOM 0 HB THR A 48 21.804 36.218 -5.400 1.00 0.00 H new ATOM 0 HG1 THR A 48 23.888 35.120 -5.257 1.00 0.00 H new ATOM 0 HG21 THR A 48 22.222 34.369 -3.808 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.551 34.363 -4.419 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.736 33.198 -5.056 1.00 0.00 H new ATOM 782 N GLU A 49 22.186 34.911 -9.274 1.00 0.00 N ATOM 783 CA GLU A 49 22.774 35.420 -10.502 1.00 0.00 C ATOM 784 C GLU A 49 21.711 36.108 -11.364 1.00 0.00 C ATOM 785 O GLU A 49 22.052 36.798 -12.325 1.00 0.00 O ATOM 786 CB GLU A 49 23.472 34.285 -11.264 1.00 0.00 C ATOM 787 CG GLU A 49 22.523 33.211 -11.815 1.00 0.00 C ATOM 788 CD GLU A 49 22.067 32.183 -10.778 1.00 0.00 C ATOM 789 OE1 GLU A 49 22.529 32.252 -9.620 1.00 0.00 O ATOM 790 OE2 GLU A 49 21.244 31.319 -11.158 1.00 0.00 O ATOM 0 H GLU A 49 22.061 33.899 -9.261 1.00 0.00 H new ATOM 0 HA GLU A 49 23.526 36.168 -10.252 1.00 0.00 H new ATOM 0 HB2 GLU A 49 24.036 34.714 -12.093 1.00 0.00 H new ATOM 0 HB3 GLU A 49 24.193 33.809 -10.600 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.644 33.700 -12.235 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.019 32.689 -12.633 1.00 0.00 H new ATOM 797 N VAL A 50 20.430 35.929 -11.029 1.00 0.00 N ATOM 798 CA VAL A 50 19.321 36.585 -11.708 1.00 0.00 C ATOM 799 C VAL A 50 18.943 37.879 -10.997 1.00 0.00 C ATOM 800 O VAL A 50 19.200 38.035 -9.803 1.00 0.00 O ATOM 801 CB VAL A 50 18.114 35.639 -11.796 1.00 0.00 C ATOM 802 CG1 VAL A 50 16.973 36.250 -12.611 1.00 0.00 C ATOM 803 CG2 VAL A 50 18.511 34.310 -12.439 1.00 0.00 C ATOM 0 H VAL A 50 20.136 35.316 -10.269 1.00 0.00 H new ATOM 0 HA VAL A 50 19.636 36.836 -12.721 1.00 0.00 H new ATOM 0 HB VAL A 50 17.773 35.473 -10.774 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.138 35.550 -12.650 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.647 37.178 -12.142 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.320 36.458 -13.623 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.640 33.656 -12.491 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.889 34.491 -13.445 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.287 33.834 -11.840 1.00 0.00 H new ATOM 813 N GLN A 51 18.328 38.810 -11.727 1.00 0.00 N ATOM 814 CA GLN A 51 17.788 40.029 -11.148 1.00 0.00 C ATOM 815 C GLN A 51 16.524 40.421 -11.903 1.00 0.00 C ATOM 816 O GLN A 51 16.516 40.497 -13.130 1.00 0.00 O ATOM 817 CB GLN A 51 18.847 41.139 -11.146 1.00 0.00 C ATOM 818 CG GLN A 51 19.335 41.502 -12.551 1.00 0.00 C ATOM 819 CD GLN A 51 20.437 42.558 -12.512 1.00 0.00 C ATOM 820 OE1 GLN A 51 20.806 43.059 -11.453 1.00 0.00 O ATOM 821 NE2 GLN A 51 20.974 42.905 -13.677 1.00 0.00 N ATOM 0 H GLN A 51 18.193 38.735 -12.735 1.00 0.00 H new ATOM 0 HA GLN A 51 17.517 39.863 -10.105 1.00 0.00 H new ATOM 0 HB2 GLN A 51 18.433 42.028 -10.670 1.00 0.00 H new ATOM 0 HB3 GLN A 51 19.697 40.821 -10.543 1.00 0.00 H new ATOM 0 HG2 GLN A 51 19.707 40.607 -13.050 1.00 0.00 H new ATOM 0 HG3 GLN A 51 18.498 41.872 -13.143 1.00 0.00 H new ATOM 0 HE21 GLN A 51 20.646 42.471 -14.539 1.00 0.00 H new ATOM 0 HE22 GLN A 51 21.714 43.606 -13.709 1.00 0.00 H new ATOM 830 N SER A 52 15.449 40.669 -11.152 1.00 0.00 N ATOM 831 CA SER A 52 14.177 41.098 -11.715 1.00 0.00 C ATOM 832 C SER A 52 14.225 42.584 -12.068 1.00 0.00 C ATOM 833 O SER A 52 15.266 43.230 -11.943 1.00 0.00 O ATOM 834 CB SER A 52 13.073 40.837 -10.693 1.00 0.00 C ATOM 835 OG SER A 52 13.195 41.741 -9.615 1.00 0.00 O ATOM 0 H SER A 52 15.441 40.577 -10.136 1.00 0.00 H new ATOM 0 HA SER A 52 13.975 40.537 -12.628 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.096 40.948 -11.163 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.137 39.812 -10.329 1.00 0.00 H new ATOM 0 HG SER A 52 12.312 41.902 -9.222 1.00 0.00 H new ATOM 841 N SER A 53 13.089 43.135 -12.506 1.00 0.00 N ATOM 842 CA SER A 53 12.967 44.551 -12.825 1.00 0.00 C ATOM 843 C SER A 53 13.085 45.398 -11.552 1.00 0.00 C ATOM 844 O SER A 53 13.149 46.627 -11.621 1.00 0.00 O ATOM 845 CB SER A 53 11.628 44.782 -13.527 1.00 0.00 C ATOM 846 OG SER A 53 11.482 46.136 -13.888 1.00 0.00 O ATOM 0 H SER A 53 12.229 42.606 -12.648 1.00 0.00 H new ATOM 0 HA SER A 53 13.774 44.855 -13.491 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.565 44.155 -14.416 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.811 44.486 -12.869 1.00 0.00 H new ATOM 0 HG SER A 53 12.042 46.692 -13.307 1.00 0.00 H new ATOM 852 N PHE A 54 13.114 44.733 -10.392 1.00 0.00 N ATOM 853 CA PHE A 54 13.259 45.360 -9.087 1.00 0.00 C ATOM 854 C PHE A 54 14.420 44.862 -8.222 1.00 0.00 C ATOM 855 O PHE A 54 14.499 45.180 -7.036 1.00 0.00 O ATOM 856 CB PHE A 54 11.917 45.515 -8.368 1.00 0.00 C ATOM 857 CG PHE A 54 10.992 44.333 -8.545 1.00 0.00 C ATOM 858 CD1 PHE A 54 11.178 43.179 -7.771 1.00 0.00 C ATOM 859 CD2 PHE A 54 9.949 44.389 -9.478 1.00 0.00 C ATOM 860 CE1 PHE A 54 10.320 42.082 -7.930 1.00 0.00 C ATOM 861 CE2 PHE A 54 9.091 43.291 -9.637 1.00 0.00 C ATOM 862 CZ PHE A 54 9.278 42.137 -8.865 1.00 0.00 C ATOM 0 H PHE A 54 13.035 43.717 -10.341 1.00 0.00 H new ATOM 0 HA PHE A 54 13.597 46.374 -9.301 1.00 0.00 H new ATOM 0 HB2 PHE A 54 12.100 45.665 -7.304 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.420 46.412 -8.736 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.983 43.135 -7.052 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.805 45.278 -10.075 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.462 41.194 -7.332 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.286 43.335 -10.355 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.619 41.290 -8.991 1.00 0.00 H new ATOM 872 N GLY A 55 15.322 44.077 -8.826 1.00 0.00 N ATOM 873 CA GLY A 55 16.527 43.594 -8.170 1.00 0.00 C ATOM 874 C GLY A 55 16.301 42.357 -7.298 1.00 0.00 C ATOM 875 O GLY A 55 17.239 41.891 -6.652 1.00 0.00 O ATOM 0 H GLY A 55 15.228 43.761 -9.791 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.274 43.361 -8.929 1.00 0.00 H new ATOM 0 HA3 GLY A 55 16.938 44.392 -7.552 1.00 0.00 H new ATOM 879 N ALA A 56 15.080 41.818 -7.268 1.00 0.00 N ATOM 880 CA ALA A 56 14.770 40.647 -6.464 1.00 0.00 C ATOM 881 C ALA A 56 15.437 39.396 -7.040 1.00 0.00 C ATOM 882 O ALA A 56 15.845 39.377 -8.202 1.00 0.00 O ATOM 883 CB ALA A 56 13.255 40.472 -6.383 1.00 0.00 C ATOM 0 H ALA A 56 14.288 42.182 -7.798 1.00 0.00 H new ATOM 0 HA ALA A 56 15.164 40.792 -5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.022 39.594 -5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.811 41.355 -5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.850 40.341 -7.386 1.00 0.00 H new ATOM 889 N THR A 57 15.539 38.352 -6.214 1.00 0.00 N ATOM 890 CA THR A 57 16.202 37.107 -6.584 1.00 0.00 C ATOM 891 C THR A 57 15.139 36.012 -6.552 1.00 0.00 C ATOM 892 O THR A 57 14.395 35.910 -5.577 1.00 0.00 O ATOM 893 CB THR A 57 17.287 36.823 -5.544 1.00 0.00 C ATOM 894 OG1 THR A 57 18.403 37.649 -5.785 1.00 0.00 O ATOM 895 CG2 THR A 57 17.743 35.364 -5.587 1.00 0.00 C ATOM 0 H THR A 57 15.161 38.350 -5.267 1.00 0.00 H new ATOM 0 HA THR A 57 16.659 37.158 -7.572 1.00 0.00 H new ATOM 0 HB THR A 57 16.861 37.027 -4.561 1.00 0.00 H new ATOM 0 HG1 THR A 57 19.096 37.466 -5.116 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.514 35.201 -4.834 1.00 0.00 H new ATOM 0 HG22 THR A 57 16.894 34.711 -5.384 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.146 35.138 -6.574 1.00 0.00 H new ATOM 903 N PRO A 58 15.050 35.186 -7.602 1.00 0.00 N ATOM 904 CA PRO A 58 14.147 34.055 -7.667 1.00 0.00 C ATOM 905 C PRO A 58 14.738 32.835 -6.959 1.00 0.00 C ATOM 906 O PRO A 58 15.946 32.760 -6.723 1.00 0.00 O ATOM 907 CB PRO A 58 13.962 33.798 -9.160 1.00 0.00 C ATOM 908 CG PRO A 58 15.335 34.162 -9.729 1.00 0.00 C ATOM 909 CD PRO A 58 15.816 35.300 -8.827 1.00 0.00 C ATOM 0 HA PRO A 58 13.200 34.253 -7.165 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.700 32.760 -9.364 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.170 34.416 -9.583 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.018 33.313 -9.700 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.265 34.479 -10.770 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.885 35.216 -8.629 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.654 36.269 -9.300 1.00 0.00 H new ATOM 917 N VAL A 59 13.878 31.871 -6.623 1.00 0.00 N ATOM 918 CA VAL A 59 14.274 30.613 -6.006 1.00 0.00 C ATOM 919 C VAL A 59 13.345 29.521 -6.523 1.00 0.00 C ATOM 920 O VAL A 59 12.173 29.775 -6.805 1.00 0.00 O ATOM 921 CB VAL A 59 14.230 30.734 -4.473 1.00 0.00 C ATOM 922 CG1 VAL A 59 12.888 31.261 -3.967 1.00 0.00 C ATOM 923 CG2 VAL A 59 14.479 29.384 -3.804 1.00 0.00 C ATOM 0 H VAL A 59 12.873 31.948 -6.776 1.00 0.00 H new ATOM 0 HA VAL A 59 15.300 30.358 -6.269 1.00 0.00 H new ATOM 0 HB VAL A 59 15.017 31.442 -4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.910 31.327 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 59 12.704 32.250 -4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 59 12.092 30.582 -4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.442 29.502 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.713 28.675 -4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.461 29.010 -4.094 1.00 0.00 H new ATOM 933 N GLU A 60 13.880 28.306 -6.645 1.00 0.00 N ATOM 934 CA GLU A 60 13.165 27.143 -7.154 1.00 0.00 C ATOM 935 C GLU A 60 13.047 26.070 -6.075 1.00 0.00 C ATOM 936 O GLU A 60 13.870 26.013 -5.160 1.00 0.00 O ATOM 937 CB GLU A 60 13.880 26.603 -8.395 1.00 0.00 C ATOM 938 CG GLU A 60 13.769 27.595 -9.560 1.00 0.00 C ATOM 939 CD GLU A 60 14.659 27.204 -10.742 1.00 0.00 C ATOM 940 OE1 GLU A 60 14.462 27.799 -11.823 1.00 0.00 O ATOM 941 OE2 GLU A 60 15.529 26.320 -10.564 1.00 0.00 O ATOM 0 H GLU A 60 14.845 28.102 -6.386 1.00 0.00 H new ATOM 0 HA GLU A 60 12.154 27.439 -7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.930 26.420 -8.165 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.446 25.646 -8.683 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.732 27.649 -9.891 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.045 28.591 -9.214 1.00 0.00 H new ATOM 948 N ILE A 61 12.028 25.214 -6.183 1.00 0.00 N ATOM 949 CA ILE A 61 11.774 24.152 -5.214 1.00 0.00 C ATOM 950 C ILE A 61 11.352 22.881 -5.947 1.00 0.00 C ATOM 951 O ILE A 61 10.714 22.952 -6.994 1.00 0.00 O ATOM 952 CB ILE A 61 10.691 24.589 -4.213 1.00 0.00 C ATOM 953 CG1 ILE A 61 11.022 25.961 -3.620 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.513 23.536 -3.114 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.928 26.454 -2.680 1.00 0.00 C ATOM 0 H ILE A 61 11.355 25.240 -6.949 1.00 0.00 H new ATOM 0 HA ILE A 61 12.688 23.949 -4.655 1.00 0.00 H new ATOM 0 HB ILE A 61 9.745 24.677 -4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.967 25.904 -3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.159 26.681 -4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.743 23.865 -2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.216 22.588 -3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.454 23.405 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.203 27.431 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.989 26.537 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.809 25.748 -1.858 1.00 0.00 H new ATOM 967 N VAL A 62 11.713 21.720 -5.390 1.00 0.00 N ATOM 968 CA VAL A 62 11.369 20.419 -5.951 1.00 0.00 C ATOM 969 C VAL A 62 11.003 19.432 -4.847 1.00 0.00 C ATOM 970 O VAL A 62 11.615 19.432 -3.780 1.00 0.00 O ATOM 971 CB VAL A 62 12.521 19.871 -6.803 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.130 18.533 -7.431 1.00 0.00 C ATOM 973 CG2 VAL A 62 12.903 20.842 -7.920 1.00 0.00 C ATOM 0 H VAL A 62 12.257 21.662 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 62 10.499 20.549 -6.595 1.00 0.00 H new ATOM 0 HB VAL A 62 13.376 19.738 -6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 62 12.958 18.158 -8.032 1.00 0.00 H new ATOM 0 HG12 VAL A 62 11.899 17.815 -6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.254 18.671 -8.065 1.00 0.00 H new ATOM 0 HG21 VAL A 62 13.722 20.421 -8.503 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.043 21.007 -8.569 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.217 21.791 -7.486 1.00 0.00 H new ATOM 983 N ALA A 63 10.005 18.586 -5.115 1.00 0.00 N ATOM 984 CA ALA A 63 9.594 17.512 -4.222 1.00 0.00 C ATOM 985 C ALA A 63 8.803 16.471 -5.016 1.00 0.00 C ATOM 986 O ALA A 63 8.499 16.679 -6.191 1.00 0.00 O ATOM 987 CB ALA A 63 8.755 18.076 -3.074 1.00 0.00 C ATOM 0 H ALA A 63 9.455 18.633 -5.973 1.00 0.00 H new ATOM 0 HA ALA A 63 10.474 17.033 -3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.453 17.265 -2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.346 18.801 -2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.868 18.565 -3.477 1.00 0.00 H new ATOM 993 N GLN A 64 8.468 15.345 -4.380 1.00 0.00 N ATOM 994 CA GLN A 64 7.745 14.268 -5.044 1.00 0.00 C ATOM 995 C GLN A 64 6.311 14.680 -5.397 1.00 0.00 C ATOM 996 O GLN A 64 5.722 14.121 -6.324 1.00 0.00 O ATOM 997 CB GLN A 64 7.762 13.039 -4.122 1.00 0.00 C ATOM 998 CG GLN A 64 6.995 11.846 -4.700 1.00 0.00 C ATOM 999 CD GLN A 64 7.599 11.328 -6.003 1.00 0.00 C ATOM 1000 OE1 GLN A 64 8.734 11.644 -6.347 1.00 0.00 O ATOM 1001 NE2 GLN A 64 6.842 10.524 -6.745 1.00 0.00 N ATOM 0 H GLN A 64 8.689 15.160 -3.402 1.00 0.00 H new ATOM 0 HA GLN A 64 8.235 14.030 -5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.795 12.745 -3.937 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.330 13.309 -3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.980 11.040 -3.966 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.959 12.137 -4.876 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.902 10.278 -6.434 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.202 10.153 -7.625 1.00 0.00 H new ATOM 1010 N ASN A 65 5.751 15.651 -4.668 1.00 0.00 N ATOM 1011 CA ASN A 65 4.385 16.108 -4.892 1.00 0.00 C ATOM 1012 C ASN A 65 4.162 17.512 -4.323 1.00 0.00 C ATOM 1013 O ASN A 65 5.031 18.059 -3.643 1.00 0.00 O ATOM 1014 CB ASN A 65 3.409 15.104 -4.270 1.00 0.00 C ATOM 1015 CG ASN A 65 3.747 14.778 -2.821 1.00 0.00 C ATOM 1016 OD1 ASN A 65 4.281 15.606 -2.092 1.00 0.00 O ATOM 1017 ND2 ASN A 65 3.432 13.560 -2.389 1.00 0.00 N ATOM 0 H ASN A 65 6.233 16.137 -3.911 1.00 0.00 H new ATOM 0 HA ASN A 65 4.207 16.168 -5.966 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.398 15.507 -4.321 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.416 14.185 -4.856 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.634 13.292 -1.426 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.988 12.894 -3.021 1.00 0.00 H new ATOM 1024 N LYS A 66 2.992 18.100 -4.601 1.00 0.00 N ATOM 1025 CA LYS A 66 2.628 19.413 -4.084 1.00 0.00 C ATOM 1026 C LYS A 66 2.431 19.379 -2.570 1.00 0.00 C ATOM 1027 O LYS A 66 2.481 20.422 -1.922 1.00 0.00 O ATOM 1028 CB LYS A 66 1.348 19.896 -4.768 1.00 0.00 C ATOM 1029 CG LYS A 66 1.573 20.082 -6.269 1.00 0.00 C ATOM 1030 CD LYS A 66 0.282 20.549 -6.935 1.00 0.00 C ATOM 1031 CE LYS A 66 0.526 20.759 -8.429 1.00 0.00 C ATOM 1032 NZ LYS A 66 -0.702 21.212 -9.110 1.00 0.00 N ATOM 0 H LYS A 66 2.276 17.675 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 66 3.443 20.104 -4.300 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.547 19.175 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.026 20.838 -4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.364 20.812 -6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.903 19.144 -6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.505 19.810 -6.785 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.060 21.477 -6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.317 21.495 -8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.872 19.828 -8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.508 21.347 -10.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.448 20.497 -8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.017 22.112 -8.695 1.00 0.00 H new ATOM 1046 N GLU A 67 2.210 18.190 -2.002 1.00 0.00 N ATOM 1047 CA GLU A 67 2.013 18.023 -0.567 1.00 0.00 C ATOM 1048 C GLU A 67 3.319 18.219 0.206 1.00 0.00 C ATOM 1049 O GLU A 67 3.321 18.168 1.435 1.00 0.00 O ATOM 1050 CB GLU A 67 1.430 16.639 -0.278 1.00 0.00 C ATOM 1051 CG GLU A 67 0.095 16.448 -1.010 1.00 0.00 C ATOM 1052 CD GLU A 67 -0.597 15.140 -0.624 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -1.746 14.943 -1.085 1.00 0.00 O ATOM 1054 OE2 GLU A 67 0.017 14.343 0.122 1.00 0.00 O ATOM 0 H GLU A 67 2.163 17.318 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 67 1.312 18.788 -0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.135 15.869 -0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.282 16.518 0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.564 17.286 -0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.268 16.461 -2.086 1.00 0.00 H new ATOM 1061 N GLN A 68 4.426 18.443 -0.509 1.00 0.00 N ATOM 1062 CA GLN A 68 5.728 18.701 0.090 1.00 0.00 C ATOM 1063 C GLN A 68 6.376 19.938 -0.518 1.00 0.00 C ATOM 1064 O GLN A 68 7.142 20.626 0.153 1.00 0.00 O ATOM 1065 CB GLN A 68 6.634 17.492 -0.151 1.00 0.00 C ATOM 1066 CG GLN A 68 6.151 16.215 0.534 1.00 0.00 C ATOM 1067 CD GLN A 68 6.476 16.184 2.023 1.00 0.00 C ATOM 1068 OE1 GLN A 68 6.597 17.217 2.676 1.00 0.00 O ATOM 1069 NE2 GLN A 68 6.623 14.982 2.572 1.00 0.00 N ATOM 0 H GLN A 68 4.438 18.449 -1.529 1.00 0.00 H new ATOM 0 HA GLN A 68 5.592 18.872 1.158 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.708 17.313 -1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.638 17.726 0.203 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.073 16.122 0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.608 15.353 0.049 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.516 14.144 2.001 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.843 14.898 3.564 1.00 0.00 H new ATOM 1078 N CYS A 69 6.076 20.234 -1.788 1.00 0.00 N ATOM 1079 CA CYS A 69 6.709 21.348 -2.475 1.00 0.00 C ATOM 1080 C CYS A 69 6.103 22.671 -1.993 1.00 0.00 C ATOM 1081 O CYS A 69 6.828 23.651 -1.823 1.00 0.00 O ATOM 1082 CB CYS A 69 6.482 21.167 -3.979 1.00 0.00 C ATOM 1083 SG CYS A 69 7.637 22.227 -4.880 1.00 0.00 S ATOM 0 H CYS A 69 5.402 19.716 -2.352 1.00 0.00 H new ATOM 0 HA CYS A 69 7.778 21.371 -2.262 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.631 20.124 -4.259 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.455 21.423 -4.238 1.00 0.00 H new ATOM 0 HG CYS A 69 7.763 21.793 -6.099 1.00 0.00 H new ATOM 1089 N GLN A 70 4.784 22.706 -1.769 1.00 0.00 N ATOM 1090 CA GLN A 70 4.112 23.907 -1.283 1.00 0.00 C ATOM 1091 C GLN A 70 4.432 24.152 0.185 1.00 0.00 C ATOM 1092 O GLN A 70 4.497 25.298 0.620 1.00 0.00 O ATOM 1093 CB GLN A 70 2.599 23.758 -1.442 1.00 0.00 C ATOM 1094 CG GLN A 70 2.172 23.689 -2.913 1.00 0.00 C ATOM 1095 CD GLN A 70 2.333 25.020 -3.643 1.00 0.00 C ATOM 1096 OE1 GLN A 70 2.718 26.029 -3.055 1.00 0.00 O ATOM 1097 NE2 GLN A 70 2.034 25.035 -4.940 1.00 0.00 N ATOM 0 H GLN A 70 4.163 21.911 -1.919 1.00 0.00 H new ATOM 0 HA GLN A 70 4.468 24.753 -1.871 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.269 22.855 -0.928 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.101 24.599 -0.961 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.763 22.928 -3.422 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.130 23.374 -2.969 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.717 24.182 -5.400 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.122 25.900 -5.474 1.00 0.00 H new ATOM 1106 N GLU A 71 4.638 23.086 0.960 1.00 0.00 N ATOM 1107 CA GLU A 71 4.939 23.234 2.373 1.00 0.00 C ATOM 1108 C GLU A 71 6.336 23.829 2.543 1.00 0.00 C ATOM 1109 O GLU A 71 6.580 24.571 3.493 1.00 0.00 O ATOM 1110 CB GLU A 71 4.841 21.871 3.067 1.00 0.00 C ATOM 1111 CG GLU A 71 3.460 21.235 2.902 1.00 0.00 C ATOM 1112 CD GLU A 71 2.332 22.053 3.533 1.00 0.00 C ATOM 1113 OE1 GLU A 71 2.633 22.991 4.308 1.00 0.00 O ATOM 1114 OE2 GLU A 71 1.161 21.728 3.235 1.00 0.00 O ATOM 0 H GLU A 71 4.601 22.121 0.631 1.00 0.00 H new ATOM 0 HA GLU A 71 4.217 23.910 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.598 21.202 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.060 21.989 4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.253 21.105 1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.471 20.241 3.349 1.00 0.00 H new ATOM 1121 N ALA A 72 7.251 23.509 1.621 1.00 0.00 N ATOM 1122 CA ALA A 72 8.598 24.051 1.653 1.00 0.00 C ATOM 1123 C ALA A 72 8.638 25.470 1.079 1.00 0.00 C ATOM 1124 O ALA A 72 9.533 26.240 1.413 1.00 0.00 O ATOM 1125 CB ALA A 72 9.509 23.124 0.853 1.00 0.00 C ATOM 0 H ALA A 72 7.074 22.873 0.843 1.00 0.00 H new ATOM 0 HA ALA A 72 8.940 24.111 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.527 23.515 0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.497 22.129 1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.155 23.065 -0.176 1.00 0.00 H new ATOM 1131 N ARG A 73 7.675 25.822 0.217 1.00 0.00 N ATOM 1132 CA ARG A 73 7.582 27.165 -0.342 1.00 0.00 C ATOM 1133 C ARG A 73 7.091 28.132 0.725 1.00 0.00 C ATOM 1134 O ARG A 73 7.679 29.186 0.942 1.00 0.00 O ATOM 1135 CB ARG A 73 6.605 27.150 -1.520 1.00 0.00 C ATOM 1136 CG ARG A 73 6.538 28.519 -2.204 1.00 0.00 C ATOM 1137 CD ARG A 73 5.232 28.619 -2.989 1.00 0.00 C ATOM 1138 NE ARG A 73 5.184 29.829 -3.818 1.00 0.00 N ATOM 1139 CZ ARG A 73 4.680 30.993 -3.408 1.00 0.00 C ATOM 1140 NH1 ARG A 73 4.238 31.134 -2.162 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.615 32.024 -4.247 1.00 0.00 N ATOM 0 H ARG A 73 6.947 25.185 -0.107 1.00 0.00 H new ATOM 0 HA ARG A 73 8.564 27.488 -0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.914 26.395 -2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.613 26.867 -1.169 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.592 29.314 -1.461 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.390 28.648 -2.872 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.121 27.740 -3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.391 28.620 -2.296 1.00 0.00 H new ATOM 0 HE ARG A 73 5.559 29.776 -4.765 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.283 30.349 -1.513 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.854 32.028 -1.855 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.951 31.924 -5.205 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.229 32.914 -3.932 1.00 0.00 H new ATOM 1155 N ASN A 74 5.998 27.761 1.394 1.00 0.00 N ATOM 1156 CA ASN A 74 5.391 28.587 2.424 1.00 0.00 C ATOM 1157 C ASN A 74 6.270 28.641 3.678 1.00 0.00 C ATOM 1158 O ASN A 74 6.056 29.487 4.547 1.00 0.00 O ATOM 1159 CB ASN A 74 3.985 28.055 2.704 1.00 0.00 C ATOM 1160 CG ASN A 74 3.066 28.284 1.511 1.00 0.00 C ATOM 1161 OD1 ASN A 74 3.017 29.378 0.957 1.00 0.00 O ATOM 1162 ND2 ASN A 74 2.334 27.255 1.101 1.00 0.00 N ATOM 0 H ASN A 74 5.513 26.878 1.233 1.00 0.00 H new ATOM 0 HA ASN A 74 5.307 29.618 2.081 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.034 26.990 2.930 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.574 28.549 3.584 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.707 27.361 0.303 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.398 26.359 1.584 1.00 0.00 H new ATOM 1169 N ALA A 75 7.257 27.742 3.774 1.00 0.00 N ATOM 1170 CA ALA A 75 8.224 27.744 4.859 1.00 0.00 C ATOM 1171 C ALA A 75 9.325 28.782 4.623 1.00 0.00 C ATOM 1172 O ALA A 75 10.215 28.925 5.457 1.00 0.00 O ATOM 1173 CB ALA A 75 8.824 26.348 5.009 1.00 0.00 C ATOM 0 H ALA A 75 7.401 26.994 3.096 1.00 0.00 H new ATOM 0 HA ALA A 75 7.711 28.017 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.549 26.349 5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.031 25.633 5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.320 26.064 4.081 1.00 0.00 H new ATOM 1179 N VAL A 76 9.276 29.506 3.498 1.00 0.00 N ATOM 1180 CA VAL A 76 10.277 30.516 3.162 1.00 0.00 C ATOM 1181 C VAL A 76 9.632 31.859 2.817 1.00 0.00 C ATOM 1182 O VAL A 76 10.304 32.886 2.814 1.00 0.00 O ATOM 1183 CB VAL A 76 11.149 29.993 2.011 1.00 0.00 C ATOM 1184 CG1 VAL A 76 12.279 30.964 1.667 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.788 28.656 2.382 1.00 0.00 C ATOM 0 H VAL A 76 8.541 29.405 2.798 1.00 0.00 H new ATOM 0 HA VAL A 76 10.907 30.696 4.033 1.00 0.00 H new ATOM 0 HB VAL A 76 10.488 29.881 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.872 30.557 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.856 31.923 1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.915 31.106 2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.401 28.303 1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.412 28.784 3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.007 27.925 2.592 1.00 0.00 H new ATOM 1195 N MET A 77 8.328 31.867 2.525 1.00 0.00 N ATOM 1196 CA MET A 77 7.623 33.096 2.190 1.00 0.00 C ATOM 1197 C MET A 77 7.121 33.843 3.422 1.00 0.00 C ATOM 1198 O MET A 77 6.622 34.960 3.297 1.00 0.00 O ATOM 1199 CB MET A 77 6.467 32.779 1.236 1.00 0.00 C ATOM 1200 CG MET A 77 7.014 32.288 -0.101 1.00 0.00 C ATOM 1201 SD MET A 77 8.019 33.521 -0.969 1.00 0.00 S ATOM 1202 CE MET A 77 9.085 32.409 -1.909 1.00 0.00 C ATOM 0 H MET A 77 7.743 31.031 2.515 1.00 0.00 H new ATOM 0 HA MET A 77 8.333 33.761 1.699 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.820 32.019 1.675 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.856 33.669 1.084 1.00 0.00 H new ATOM 0 HG2 MET A 77 7.615 31.395 0.068 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.181 31.995 -0.740 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.668 32.985 -2.627 1.00 0.00 H new ATOM 0 HE2 MET A 77 9.759 31.889 -1.228 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.473 31.680 -2.440 1.00 0.00 H new ATOM 1212 N SER A 78 7.241 33.248 4.614 1.00 0.00 N ATOM 1213 CA SER A 78 6.812 33.912 5.840 1.00 0.00 C ATOM 1214 C SER A 78 7.486 33.331 7.084 1.00 0.00 C ATOM 1215 O SER A 78 7.823 34.078 8.001 1.00 0.00 O ATOM 1216 CB SER A 78 5.291 33.777 5.955 1.00 0.00 C ATOM 1217 OG SER A 78 4.844 34.340 7.170 1.00 0.00 O ATOM 0 H SER A 78 7.629 32.315 4.751 1.00 0.00 H new ATOM 0 HA SER A 78 7.106 34.960 5.785 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.809 34.277 5.115 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.007 32.726 5.906 1.00 0.00 H new ATOM 0 HG SER A 78 3.870 34.250 7.233 1.00 0.00 H new ATOM 1223 N LEU A 79 7.692 32.009 7.131 1.00 0.00 N ATOM 1224 CA LEU A 79 8.286 31.376 8.301 1.00 0.00 C ATOM 1225 C LEU A 79 9.808 31.475 8.276 1.00 0.00 C ATOM 1226 O LEU A 79 10.422 31.738 9.309 1.00 0.00 O ATOM 1227 CB LEU A 79 7.845 29.909 8.369 1.00 0.00 C ATOM 1228 CG LEU A 79 6.321 29.753 8.333 1.00 0.00 C ATOM 1229 CD1 LEU A 79 5.961 28.272 8.430 1.00 0.00 C ATOM 1230 CD2 LEU A 79 5.658 30.483 9.494 1.00 0.00 C ATOM 0 H LEU A 79 7.456 31.366 6.375 1.00 0.00 H new ATOM 0 HA LEU A 79 7.939 31.901 9.191 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.283 29.362 7.534 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.232 29.459 9.283 1.00 0.00 H new ATOM 0 HG LEU A 79 5.964 30.182 7.397 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.877 28.159 8.405 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.402 27.735 7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.347 27.864 9.364 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.577 30.351 9.437 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.024 30.076 10.436 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.897 31.545 9.440 1.00 0.00 H new ATOM 1242 N MET A 80 10.410 31.269 7.099 1.00 0.00 N ATOM 1243 CA MET A 80 11.854 31.340 6.881 1.00 0.00 C ATOM 1244 C MET A 80 12.640 30.504 7.896 1.00 0.00 C ATOM 1245 O MET A 80 13.815 30.771 8.145 1.00 0.00 O ATOM 1246 CB MET A 80 12.312 32.801 6.850 1.00 0.00 C ATOM 1247 CG MET A 80 11.431 33.615 5.896 1.00 0.00 C ATOM 1248 SD MET A 80 12.031 35.290 5.573 1.00 0.00 S ATOM 1249 CE MET A 80 13.326 34.903 4.368 1.00 0.00 C ATOM 0 H MET A 80 9.890 31.043 6.251 1.00 0.00 H new ATOM 0 HA MET A 80 12.070 30.898 5.908 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.263 33.226 7.853 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.353 32.856 6.531 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.352 33.081 4.949 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.425 33.676 6.312 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.052 35.715 4.341 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.826 33.978 4.656 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.880 34.782 3.381 1.00 0.00 H new ATOM 1259 N GLN A 81 11.987 29.494 8.480 1.00 0.00 N ATOM 1260 CA GLN A 81 12.520 28.674 9.560 1.00 0.00 C ATOM 1261 C GLN A 81 12.982 29.519 10.760 1.00 0.00 C ATOM 1262 O GLN A 81 13.660 29.023 11.659 1.00 0.00 O ATOM 1263 CB GLN A 81 13.599 27.724 9.026 1.00 0.00 C ATOM 1264 CG GLN A 81 13.906 26.604 10.023 1.00 0.00 C ATOM 1265 CD GLN A 81 15.401 26.418 10.260 1.00 0.00 C ATOM 1266 OE1 GLN A 81 16.221 26.678 9.383 1.00 0.00 O ATOM 1267 NE2 GLN A 81 15.770 25.963 11.452 1.00 0.00 N ATOM 0 H GLN A 81 11.045 29.221 8.202 1.00 0.00 H new ATOM 0 HA GLN A 81 11.715 28.052 9.951 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.269 27.291 8.082 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.509 28.286 8.818 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.417 26.824 10.972 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.482 25.670 9.655 1.00 0.00 H new ATOM 0 HE21 GLN A 81 15.065 25.756 12.160 1.00 0.00 H new ATOM 0 HE22 GLN A 81 16.758 25.820 11.660 1.00 0.00 H new ATOM 1276 N SER A 82 12.618 30.802 10.780 1.00 0.00 N ATOM 1277 CA SER A 82 12.943 31.711 11.869 1.00 0.00 C ATOM 1278 C SER A 82 11.787 31.785 12.860 1.00 0.00 C ATOM 1279 O SER A 82 11.987 32.112 14.029 1.00 0.00 O ATOM 1280 CB SER A 82 13.252 33.088 11.281 1.00 0.00 C ATOM 1281 OG SER A 82 13.515 34.020 12.308 1.00 0.00 O ATOM 0 H SER A 82 12.083 31.240 10.030 1.00 0.00 H new ATOM 0 HA SER A 82 13.817 31.347 12.410 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.112 33.020 10.615 1.00 0.00 H new ATOM 0 HB3 SER A 82 12.410 33.430 10.680 1.00 0.00 H new ATOM 0 HG SER A 82 13.712 34.895 11.913 1.00 0.00 H new ATOM 1287 N HIS A 83 10.569 31.478 12.395 1.00 0.00 N ATOM 1288 CA HIS A 83 9.362 31.482 13.211 1.00 0.00 C ATOM 1289 C HIS A 83 9.223 30.173 13.996 1.00 0.00 C ATOM 1290 O HIS A 83 8.173 29.908 14.576 1.00 0.00 O ATOM 1291 CB HIS A 83 8.159 31.734 12.294 1.00 0.00 C ATOM 1292 CG HIS A 83 6.951 32.307 12.996 1.00 0.00 C ATOM 1293 ND1 HIS A 83 6.282 31.754 14.067 1.00 0.00 N ATOM 1294 CD2 HIS A 83 6.301 33.460 12.654 1.00 0.00 C ATOM 1295 CE1 HIS A 83 5.247 32.557 14.376 1.00 0.00 C ATOM 1296 NE2 HIS A 83 5.239 33.602 13.530 1.00 0.00 N ATOM 0 H HIS A 83 10.399 31.216 11.424 1.00 0.00 H new ATOM 0 HA HIS A 83 9.416 32.278 13.954 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.460 32.416 11.499 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.877 30.795 11.818 1.00 0.00 H new ATOM 0 HD1 HIS A 83 6.529 30.886 14.543 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.566 34.133 11.852 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.538 32.389 15.174 1.00 0.00 H new ATOM 1305 N GLN A 84 10.276 29.351 14.017 1.00 0.00 N ATOM 1306 CA GLN A 84 10.250 28.028 14.627 1.00 0.00 C ATOM 1307 C GLN A 84 10.113 28.071 16.155 1.00 0.00 C ATOM 1308 O GLN A 84 9.981 27.016 16.775 1.00 0.00 O ATOM 1309 CB GLN A 84 11.513 27.266 14.219 1.00 0.00 C ATOM 1310 CG GLN A 84 12.780 27.932 14.766 1.00 0.00 C ATOM 1311 CD GLN A 84 14.038 27.148 14.408 1.00 0.00 C ATOM 1312 OE1 GLN A 84 13.984 26.137 13.717 1.00 0.00 O ATOM 1313 NE2 GLN A 84 15.189 27.621 14.880 1.00 0.00 N ATOM 0 H GLN A 84 11.178 29.592 13.605 1.00 0.00 H new ATOM 0 HA GLN A 84 9.362 27.512 14.261 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.454 26.241 14.585 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.570 27.213 13.132 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.858 28.944 14.368 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.704 28.020 15.850 1.00 0.00 H new ATOM 0 HE21 GLN A 84 15.197 28.465 15.452 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.063 27.139 14.670 1.00 0.00 H new ATOM 1322 N ASP A 85 10.145 29.257 16.772 1.00 0.00 N ATOM 1323 CA ASP A 85 9.983 29.385 18.215 1.00 0.00 C ATOM 1324 C ASP A 85 9.085 30.531 18.684 1.00 0.00 C ATOM 1325 O ASP A 85 8.954 30.762 19.885 1.00 0.00 O ATOM 1326 CB ASP A 85 11.328 29.338 18.952 1.00 0.00 C ATOM 1327 CG ASP A 85 12.396 30.232 18.326 1.00 0.00 C ATOM 1328 OD1 ASP A 85 13.587 30.004 18.631 1.00 0.00 O ATOM 1329 OD2 ASP A 85 12.023 31.140 17.547 1.00 0.00 O ATOM 0 H ASP A 85 10.283 30.144 16.287 1.00 0.00 H new ATOM 0 HA ASP A 85 9.419 28.497 18.501 1.00 0.00 H new ATOM 0 HB2 ASP A 85 11.176 29.638 19.989 1.00 0.00 H new ATOM 0 HB3 ASP A 85 11.689 28.310 18.967 1.00 0.00 H new ATOM 1334 N LYS A 86 8.467 31.253 17.740 1.00 0.00 N ATOM 1335 CA LYS A 86 7.512 32.314 18.049 1.00 0.00 C ATOM 1336 C LYS A 86 6.100 31.744 18.150 1.00 0.00 C ATOM 1337 O LYS A 86 5.459 31.969 19.201 1.00 0.00 O ATOM 1338 CB LYS A 86 7.579 33.442 17.015 1.00 0.00 C ATOM 1339 CG LYS A 86 8.454 34.605 17.494 1.00 0.00 C ATOM 1340 CD LYS A 86 9.931 34.233 17.635 1.00 0.00 C ATOM 1341 CE LYS A 86 10.525 33.899 16.266 1.00 0.00 C ATOM 1342 NZ LYS A 86 11.960 33.584 16.370 1.00 0.00 N ATOM 0 H LYS A 86 8.618 31.114 16.741 1.00 0.00 H new ATOM 0 HA LYS A 86 7.780 32.742 19.015 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.975 33.052 16.077 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.572 33.806 16.809 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.361 35.434 16.792 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.082 34.958 18.456 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.480 35.060 18.086 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.036 33.378 18.303 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.994 33.051 15.834 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.383 34.742 15.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.294 33.184 15.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.492 34.453 16.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.109 32.893 17.133 1.00 0.00 H new TER 1356 LYS A 86