USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 992 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 125 ASN : amide:sc= 0.778 K(o=1.5,f=-2.5) USER MOD Set 1.2: A 129 LYS NZ :NH3+ 145:sc= 0.723 (180deg=0) USER MOD Set 2.1: A 11 ASN : amide:sc= 1.37 K(o=7.1,f=-2.3) USER MOD Set 2.2: A 16 GLN : amide:sc= 2.94 K(o=7.1,f=-1.9) USER MOD Set 2.3: A 34 SER OG : rot -111:sc= 1.49 USER MOD Set 2.4: A 60 GLN : amide:sc= 1.25 K(o=7.1,f=4.7) USER MOD Set 3.1: A 5 MET CE :methyl -154:sc= -0.599 (180deg=-1.9) USER MOD Set 3.2: A 33 THR OG1 : rot 165:sc= 0.0874 USER MOD Set 3.3: A 35 CYS SG : rot -92:sc= 0.295 USER MOD Set 3.4: A 73 TYR OH : rot -151:sc= 0.93 USER MOD Single : A 1 MET CE :methyl -140:sc= 0 (180deg=-0.0093) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.032 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -145:sc= 1.26 (180deg=1.06) USER MOD Single : A 3 LYS NZ :NH3+ 171:sc= 1.2 (180deg=0.961) USER MOD Single : A 8 CYS SG : rot 180:sc= 0.0467 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -91:sc= 1.15 USER MOD Single : A 13 CYS SG : rot -110:sc= -0.697 USER MOD Single : A 15 SER OG : rot -169:sc= -0.32 USER MOD Single : A 17 MET CE :methyl 180:sc= -0.125 (180deg=-0.125) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 86:sc= 1.17 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0624 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-2.2) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -153:sc= -0.56 (180deg=-1.44) USER MOD Single : A 50 MET CE :methyl -167:sc= -0.762 (180deg=-1.58) USER MOD Single : A 58 SER OG : rot 103:sc= 1.14 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 171:sc= 1.27 USER MOD Single : A 67 ASN : amide:sc= 0.912 K(o=0.91,f=-0.25) USER MOD Single : A 69 ASN : amide:sc= 1.02 K(o=1,f=-0.031) USER MOD Single : A 78 SER OG : rot -171:sc=-0.000472 USER MOD Single : A 80 CYS SG : rot 170:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 92 THR OG1 : rot -1:sc= 0.329 USER MOD Single : A 93 GLN : amide:sc= 0.945 K(o=0.94,f=-0.059) USER MOD Single : A 100 GLN : amide:sc= 0.93 K(o=0.93,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.715 K(o=0.72,f=-0.86) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 97:sc= 1.26 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1.17) USER MOD Single : A 131 SER OG : rot 67:sc= 0.058 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.332 -0.674 -2.510 1.00 0.00 N ATOM 2 CA MET A 1 2.320 0.427 -2.630 1.00 0.00 C ATOM 3 C MET A 1 3.649 0.023 -1.984 1.00 0.00 C ATOM 4 O MET A 1 3.671 -0.707 -0.991 1.00 0.00 O ATOM 5 CB MET A 1 1.769 1.747 -2.042 1.00 0.00 C ATOM 6 CG MET A 1 2.779 2.908 -2.023 1.00 0.00 C ATOM 7 SD MET A 1 2.049 4.560 -1.847 1.00 0.00 S ATOM 8 CE MET A 1 1.398 4.824 -3.525 1.00 0.00 C ATOM 0 H1 MET A 1 1.198 -1.123 -3.438 1.00 0.00 H new ATOM 0 H2 MET A 1 1.680 -1.380 -1.831 1.00 0.00 H new ATOM 0 H3 MET A 1 0.424 -0.291 -2.176 1.00 0.00 H new ATOM 0 HA MET A 1 2.505 0.609 -3.689 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.896 2.051 -2.620 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.428 1.562 -1.023 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.478 2.747 -1.202 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.359 2.880 -2.946 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.573 5.857 -3.825 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.903 4.154 -4.221 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.327 4.619 -3.536 1.00 0.00 H new ATOM 18 N LYS A 2 4.763 0.524 -2.529 1.00 0.00 N ATOM 19 CA LYS A 2 6.108 0.338 -1.981 1.00 0.00 C ATOM 20 C LYS A 2 6.681 1.717 -1.673 1.00 0.00 C ATOM 21 O LYS A 2 6.521 2.637 -2.471 1.00 0.00 O ATOM 22 CB LYS A 2 6.972 -0.426 -3.006 1.00 0.00 C ATOM 23 CG LYS A 2 6.563 -1.894 -3.205 1.00 0.00 C ATOM 24 CD LYS A 2 6.790 -2.730 -1.944 1.00 0.00 C ATOM 25 CE LYS A 2 6.692 -4.228 -2.264 1.00 0.00 C ATOM 26 NZ LYS A 2 6.975 -5.057 -1.070 1.00 0.00 N ATOM 0 H LYS A 2 4.753 1.082 -3.383 1.00 0.00 H new ATOM 0 HA LYS A 2 6.089 -0.250 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.917 0.088 -3.966 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.013 -0.391 -2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.511 -1.942 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.134 -2.320 -4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.771 -2.506 -1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.051 -2.465 -1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.694 -4.457 -2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.396 -4.479 -3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.472 -5.924 -1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.571 -4.520 -0.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.081 -5.310 -0.603 1.00 0.00 H new ATOM 40 N LYS A 3 7.325 1.894 -0.521 1.00 0.00 N ATOM 41 CA LYS A 3 7.946 3.174 -0.184 1.00 0.00 C ATOM 42 C LYS A 3 9.404 3.140 -0.561 1.00 0.00 C ATOM 43 O LYS A 3 10.075 2.161 -0.244 1.00 0.00 O ATOM 44 CB LYS A 3 7.769 3.500 1.303 1.00 0.00 C ATOM 45 CG LYS A 3 6.555 4.431 1.417 1.00 0.00 C ATOM 46 CD LYS A 3 6.240 4.783 2.868 1.00 0.00 C ATOM 47 CE LYS A 3 5.235 5.933 2.941 1.00 0.00 C ATOM 48 NZ LYS A 3 4.935 6.292 4.346 1.00 0.00 N ATOM 0 H LYS A 3 7.430 1.172 0.192 1.00 0.00 H new ATOM 0 HA LYS A 3 7.452 3.965 -0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.612 2.589 1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.662 3.981 1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.745 5.345 0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.687 3.953 0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.837 3.909 3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.157 5.062 3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.634 6.802 2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.315 5.648 2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.374 7.167 4.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.396 5.523 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.825 6.438 4.865 1.00 0.00 H new ATOM 62 N VAL A 4 9.888 4.216 -1.170 1.00 0.00 N ATOM 63 CA VAL A 4 11.226 4.306 -1.727 1.00 0.00 C ATOM 64 C VAL A 4 11.935 5.467 -1.035 1.00 0.00 C ATOM 65 O VAL A 4 11.416 6.585 -1.018 1.00 0.00 O ATOM 66 CB VAL A 4 11.124 4.515 -3.255 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.509 4.575 -3.915 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.308 3.410 -3.949 1.00 0.00 C ATOM 0 H VAL A 4 9.344 5.070 -1.292 1.00 0.00 H new ATOM 0 HA VAL A 4 11.798 3.393 -1.561 1.00 0.00 H new ATOM 0 HB VAL A 4 10.611 5.469 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.394 4.723 -4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.077 5.404 -3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.040 3.641 -3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.268 3.606 -5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.781 2.444 -3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.296 3.397 -3.545 1.00 0.00 H new ATOM 78 N MET A 5 13.121 5.216 -0.485 1.00 0.00 N ATOM 79 CA MET A 5 14.004 6.264 0.012 1.00 0.00 C ATOM 80 C MET A 5 15.221 6.334 -0.905 1.00 0.00 C ATOM 81 O MET A 5 15.741 5.287 -1.294 1.00 0.00 O ATOM 82 CB MET A 5 14.423 5.979 1.463 1.00 0.00 C ATOM 83 CG MET A 5 15.373 7.056 2.006 1.00 0.00 C ATOM 84 SD MET A 5 14.689 8.731 2.111 1.00 0.00 S ATOM 85 CE MET A 5 14.030 8.669 3.793 1.00 0.00 C ATOM 0 H MET A 5 13.497 4.274 -0.372 1.00 0.00 H new ATOM 0 HA MET A 5 13.485 7.223 0.010 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.535 5.926 2.094 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.910 5.005 1.516 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.702 6.755 3.001 1.00 0.00 H new ATOM 0 HG3 MET A 5 16.259 7.085 1.372 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.205 9.376 3.887 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.671 7.662 4.006 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.816 8.932 4.501 1.00 0.00 H new ATOM 95 N PHE A 6 15.709 7.541 -1.193 1.00 0.00 N ATOM 96 CA PHE A 6 16.986 7.763 -1.863 1.00 0.00 C ATOM 97 C PHE A 6 17.942 8.359 -0.819 1.00 0.00 C ATOM 98 O PHE A 6 17.554 9.320 -0.156 1.00 0.00 O ATOM 99 CB PHE A 6 16.831 8.683 -3.074 1.00 0.00 C ATOM 100 CG PHE A 6 15.948 8.116 -4.165 1.00 0.00 C ATOM 101 CD1 PHE A 6 16.486 7.223 -5.120 1.00 0.00 C ATOM 102 CD2 PHE A 6 14.591 8.484 -4.224 1.00 0.00 C ATOM 103 CE1 PHE A 6 15.676 6.701 -6.149 1.00 0.00 C ATOM 104 CE2 PHE A 6 13.793 7.939 -5.248 1.00 0.00 C ATOM 105 CZ PHE A 6 14.325 7.061 -6.201 1.00 0.00 C ATOM 0 H PHE A 6 15.218 8.405 -0.962 1.00 0.00 H new ATOM 0 HA PHE A 6 17.383 6.825 -2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.417 9.636 -2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.817 8.890 -3.489 1.00 0.00 H new ATOM 0 HD1 PHE A 6 17.526 6.938 -5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.172 9.168 -3.501 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.093 6.032 -6.887 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.747 8.204 -5.300 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.691 6.661 -6.978 1.00 0.00 H new ATOM 115 N VAL A 7 19.164 7.846 -0.649 1.00 0.00 N ATOM 116 CA VAL A 7 20.051 8.218 0.466 1.00 0.00 C ATOM 117 C VAL A 7 21.447 8.526 -0.084 1.00 0.00 C ATOM 118 O VAL A 7 22.084 7.634 -0.634 1.00 0.00 O ATOM 119 CB VAL A 7 20.162 7.049 1.482 1.00 0.00 C ATOM 120 CG1 VAL A 7 20.885 7.506 2.756 1.00 0.00 C ATOM 121 CG2 VAL A 7 18.833 6.390 1.875 1.00 0.00 C ATOM 0 H VAL A 7 19.571 7.157 -1.282 1.00 0.00 H new ATOM 0 HA VAL A 7 19.637 9.092 0.968 1.00 0.00 H new ATOM 0 HB VAL A 7 20.734 6.287 0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 7 20.952 6.672 3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 7 21.888 7.849 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 7 20.329 8.322 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.022 5.587 2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 7 18.179 7.133 2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.353 5.981 0.986 1.00 0.00 H new ATOM 131 N CYS A 8 21.975 9.742 0.079 1.00 0.00 N ATOM 132 CA CYS A 8 23.290 10.097 -0.468 1.00 0.00 C ATOM 133 C CYS A 8 24.203 10.619 0.626 1.00 0.00 C ATOM 134 O CYS A 8 23.751 11.140 1.639 1.00 0.00 O ATOM 135 CB CYS A 8 23.100 11.116 -1.611 1.00 0.00 C ATOM 136 SG CYS A 8 24.630 11.721 -2.368 1.00 0.00 S ATOM 0 H CYS A 8 21.513 10.498 0.585 1.00 0.00 H new ATOM 0 HA CYS A 8 23.775 9.211 -0.878 1.00 0.00 H new ATOM 0 HB2 CYS A 8 22.487 10.657 -2.387 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.542 11.969 -1.226 1.00 0.00 H new ATOM 0 HG CYS A 8 24.342 12.566 -3.313 1.00 0.00 H new ATOM 142 N LYS A 9 25.509 10.572 0.375 1.00 0.00 N ATOM 143 CA LYS A 9 26.526 11.215 1.200 1.00 0.00 C ATOM 144 C LYS A 9 26.327 12.741 1.328 1.00 0.00 C ATOM 145 O LYS A 9 26.944 13.335 2.211 1.00 0.00 O ATOM 146 CB LYS A 9 27.918 10.812 0.659 1.00 0.00 C ATOM 147 CG LYS A 9 28.488 9.641 1.475 1.00 0.00 C ATOM 148 CD LYS A 9 29.815 9.128 0.893 1.00 0.00 C ATOM 149 CE LYS A 9 30.353 7.903 1.655 1.00 0.00 C ATOM 150 NZ LYS A 9 30.856 8.238 3.014 1.00 0.00 N ATOM 0 H LYS A 9 25.897 10.074 -0.426 1.00 0.00 H new ATOM 0 HA LYS A 9 26.435 10.861 2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.840 10.529 -0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.596 11.664 0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 9 28.643 9.959 2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 9 27.763 8.827 1.497 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.672 8.867 -0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.556 9.927 0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 9 29.561 7.159 1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 9 31.158 7.448 1.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 31.205 7.375 3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 31.631 8.927 2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 30.084 8.647 3.579 1.00 0.00 H new ATOM 164 N ARG A 10 25.462 13.376 0.514 1.00 0.00 N ATOM 165 CA ARG A 10 25.112 14.800 0.650 1.00 0.00 C ATOM 166 C ARG A 10 23.631 15.153 0.456 1.00 0.00 C ATOM 167 O ARG A 10 23.259 16.280 0.761 1.00 0.00 O ATOM 168 CB ARG A 10 25.985 15.643 -0.302 1.00 0.00 C ATOM 169 CG ARG A 10 25.746 15.378 -1.805 1.00 0.00 C ATOM 170 CD ARG A 10 26.369 16.487 -2.653 1.00 0.00 C ATOM 171 NE ARG A 10 27.836 16.423 -2.635 1.00 0.00 N ATOM 172 CZ ARG A 10 28.692 17.319 -2.135 1.00 0.00 C ATOM 173 NH1 ARG A 10 28.276 18.516 -1.729 1.00 0.00 N ATOM 174 NH2 ARG A 10 29.978 16.999 -2.047 1.00 0.00 N ATOM 0 H ARG A 10 24.985 12.912 -0.259 1.00 0.00 H new ATOM 0 HA ARG A 10 25.314 15.038 1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 10 25.803 16.699 -0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 10 27.034 15.451 -0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 10 26.176 14.416 -2.083 1.00 0.00 H new ATOM 0 HG3 ARG A 10 24.676 15.319 -2.004 1.00 0.00 H new ATOM 0 HD2 ARG A 10 26.013 16.404 -3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 10 26.042 17.458 -2.280 1.00 0.00 H new ATOM 0 HE ARG A 10 28.253 15.593 -3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 10 27.289 18.763 -1.797 1.00 0.00 H new ATOM 0 HH12 ARG A 10 28.945 19.187 -1.350 1.00 0.00 H new ATOM 0 HH21 ARG A 10 30.298 16.082 -2.359 1.00 0.00 H new ATOM 0 HH22 ARG A 10 30.646 17.670 -1.668 1.00 0.00 H new ATOM 188 N ASN A 11 22.786 14.244 -0.055 1.00 0.00 N ATOM 189 CA ASN A 11 21.391 14.457 -0.512 1.00 0.00 C ATOM 190 C ASN A 11 21.250 15.395 -1.727 1.00 0.00 C ATOM 191 O ASN A 11 20.526 15.055 -2.661 1.00 0.00 O ATOM 192 CB ASN A 11 20.472 14.950 0.624 1.00 0.00 C ATOM 193 CG ASN A 11 19.042 15.154 0.130 1.00 0.00 C ATOM 194 OD1 ASN A 11 18.611 16.279 -0.072 1.00 0.00 O ATOM 195 ND2 ASN A 11 18.277 14.100 -0.086 1.00 0.00 N ATOM 0 H ASN A 11 23.073 13.272 -0.171 1.00 0.00 H new ATOM 0 HA ASN A 11 21.072 13.466 -0.836 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.478 14.227 1.439 1.00 0.00 H new ATOM 0 HB3 ASN A 11 20.857 15.887 1.026 1.00 0.00 H new ATOM 0 HD21 ASN A 11 17.322 14.223 -0.423 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.641 13.162 0.084 1.00 0.00 H new ATOM 202 N SER A 12 21.968 16.521 -1.743 1.00 0.00 N ATOM 203 CA SER A 12 21.865 17.675 -2.641 1.00 0.00 C ATOM 204 C SER A 12 21.612 17.489 -4.138 1.00 0.00 C ATOM 205 O SER A 12 21.147 18.449 -4.757 1.00 0.00 O ATOM 206 CB SER A 12 23.137 18.510 -2.484 1.00 0.00 C ATOM 207 OG SER A 12 23.376 18.781 -1.120 1.00 0.00 O ATOM 0 H SER A 12 22.711 16.661 -1.058 1.00 0.00 H new ATOM 0 HA SER A 12 20.934 18.134 -2.308 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.986 17.976 -2.911 1.00 0.00 H new ATOM 0 HB3 SER A 12 23.038 19.445 -3.036 1.00 0.00 H new ATOM 0 HG SER A 12 22.950 19.629 -0.875 1.00 0.00 H new ATOM 213 N CYS A 13 21.936 16.342 -4.742 1.00 0.00 N ATOM 214 CA CYS A 13 21.782 16.128 -6.179 1.00 0.00 C ATOM 215 C CYS A 13 21.290 14.720 -6.475 1.00 0.00 C ATOM 216 O CYS A 13 20.197 14.585 -7.025 1.00 0.00 O ATOM 217 CB CYS A 13 23.111 16.383 -6.908 1.00 0.00 C ATOM 218 SG CYS A 13 23.364 18.159 -7.127 1.00 0.00 S ATOM 0 H CYS A 13 22.313 15.535 -4.245 1.00 0.00 H new ATOM 0 HA CYS A 13 21.037 16.836 -6.542 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.936 15.957 -6.337 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.105 15.886 -7.878 1.00 0.00 H new ATOM 0 HG CYS A 13 23.245 18.462 -8.385 1.00 0.00 H new ATOM 224 N ARG A 14 22.067 13.680 -6.130 1.00 0.00 N ATOM 225 CA ARG A 14 21.751 12.321 -6.585 1.00 0.00 C ATOM 226 C ARG A 14 20.365 11.919 -6.076 1.00 0.00 C ATOM 227 O ARG A 14 19.511 11.531 -6.872 1.00 0.00 O ATOM 228 CB ARG A 14 22.845 11.301 -6.205 1.00 0.00 C ATOM 229 CG ARG A 14 24.101 11.562 -7.047 1.00 0.00 C ATOM 230 CD ARG A 14 25.273 10.655 -6.668 1.00 0.00 C ATOM 231 NE ARG A 14 25.964 11.115 -5.455 1.00 0.00 N ATOM 232 CZ ARG A 14 26.988 10.481 -4.871 1.00 0.00 C ATOM 233 NH1 ARG A 14 27.616 9.479 -5.480 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.428 10.888 -3.687 1.00 0.00 N ATOM 0 H ARG A 14 22.902 13.753 -5.549 1.00 0.00 H new ATOM 0 HA ARG A 14 21.728 12.318 -7.675 1.00 0.00 H new ATOM 0 HB2 ARG A 14 23.082 11.383 -5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 14 22.485 10.286 -6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 14 23.862 11.417 -8.101 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.401 12.603 -6.929 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.908 9.640 -6.513 1.00 0.00 H new ATOM 0 HD3 ARG A 14 25.982 10.616 -7.495 1.00 0.00 H new ATOM 0 HE ARG A 14 25.639 11.982 -5.026 1.00 0.00 H new ATOM 0 HH11 ARG A 14 27.319 9.181 -6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 14 28.394 9.009 -5.018 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.986 11.682 -3.224 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.208 10.407 -3.240 1.00 0.00 H new ATOM 248 N SER A 15 20.112 12.088 -4.774 1.00 0.00 N ATOM 249 CA SER A 15 18.828 11.746 -4.178 1.00 0.00 C ATOM 250 C SER A 15 17.734 12.717 -4.627 1.00 0.00 C ATOM 251 O SER A 15 16.627 12.292 -4.946 1.00 0.00 O ATOM 252 CB SER A 15 18.923 11.782 -2.650 1.00 0.00 C ATOM 253 OG SER A 15 20.198 11.452 -2.152 1.00 0.00 O ATOM 0 H SER A 15 20.791 12.464 -4.112 1.00 0.00 H new ATOM 0 HA SER A 15 18.570 10.740 -4.510 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.654 12.779 -2.302 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.190 11.091 -2.233 1.00 0.00 H new ATOM 0 HG SER A 15 20.147 11.324 -1.182 1.00 0.00 H new ATOM 259 N GLN A 16 18.038 14.021 -4.639 1.00 0.00 N ATOM 260 CA GLN A 16 17.069 15.076 -4.922 1.00 0.00 C ATOM 261 C GLN A 16 16.457 14.912 -6.317 1.00 0.00 C ATOM 262 O GLN A 16 15.234 14.976 -6.464 1.00 0.00 O ATOM 263 CB GLN A 16 17.772 16.438 -4.768 1.00 0.00 C ATOM 264 CG GLN A 16 17.866 16.866 -3.293 1.00 0.00 C ATOM 265 CD GLN A 16 16.545 17.372 -2.708 1.00 0.00 C ATOM 266 OE1 GLN A 16 15.656 17.834 -3.412 1.00 0.00 O ATOM 267 NE2 GLN A 16 16.386 17.302 -1.402 1.00 0.00 N ATOM 0 H GLN A 16 18.977 14.373 -4.450 1.00 0.00 H new ATOM 0 HA GLN A 16 16.242 15.013 -4.214 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.773 16.381 -5.195 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.227 17.195 -5.333 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.214 16.019 -2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.617 17.650 -3.200 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.128 16.917 -0.818 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.521 17.633 -0.975 1.00 0.00 H new ATOM 276 N MET A 17 17.286 14.663 -7.335 1.00 0.00 N ATOM 277 CA MET A 17 16.795 14.435 -8.688 1.00 0.00 C ATOM 278 C MET A 17 16.022 13.122 -8.763 1.00 0.00 C ATOM 279 O MET A 17 14.926 13.091 -9.323 1.00 0.00 O ATOM 280 CB MET A 17 17.958 14.417 -9.687 1.00 0.00 C ATOM 281 CG MET A 17 18.532 15.821 -9.910 1.00 0.00 C ATOM 282 SD MET A 17 19.461 16.062 -11.449 1.00 0.00 S ATOM 283 CE MET A 17 21.014 15.240 -11.028 1.00 0.00 C ATOM 0 H MET A 17 18.301 14.615 -7.243 1.00 0.00 H new ATOM 0 HA MET A 17 16.123 15.253 -8.948 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.743 13.756 -9.320 1.00 0.00 H new ATOM 0 HB3 MET A 17 17.616 14.008 -10.638 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.710 16.536 -9.889 1.00 0.00 H new ATOM 0 HG3 MET A 17 19.186 16.062 -9.072 1.00 0.00 H new ATOM 0 HE1 MET A 17 21.698 15.300 -11.874 1.00 0.00 H new ATOM 0 HE2 MET A 17 21.462 15.730 -10.163 1.00 0.00 H new ATOM 0 HE3 MET A 17 20.820 14.194 -10.792 1.00 0.00 H new ATOM 293 N ALA A 18 16.565 12.047 -8.177 1.00 0.00 N ATOM 294 CA ALA A 18 15.923 10.740 -8.202 1.00 0.00 C ATOM 295 C ALA A 18 14.512 10.810 -7.618 1.00 0.00 C ATOM 296 O ALA A 18 13.591 10.189 -8.148 1.00 0.00 O ATOM 297 CB ALA A 18 16.774 9.730 -7.434 1.00 0.00 C ATOM 0 H ALA A 18 17.454 12.065 -7.678 1.00 0.00 H new ATOM 0 HA ALA A 18 15.837 10.416 -9.239 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.289 8.754 -7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.758 9.657 -7.897 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.883 10.058 -6.400 1.00 0.00 H new ATOM 303 N GLU A 19 14.337 11.607 -6.563 1.00 0.00 N ATOM 304 CA GLU A 19 13.046 11.803 -5.932 1.00 0.00 C ATOM 305 C GLU A 19 12.086 12.492 -6.892 1.00 0.00 C ATOM 306 O GLU A 19 11.028 11.929 -7.167 1.00 0.00 O ATOM 307 CB GLU A 19 13.215 12.558 -4.612 1.00 0.00 C ATOM 308 CG GLU A 19 11.902 13.113 -4.036 1.00 0.00 C ATOM 309 CD GLU A 19 12.096 13.635 -2.607 1.00 0.00 C ATOM 310 OE1 GLU A 19 13.126 14.298 -2.351 1.00 0.00 O ATOM 311 OE2 GLU A 19 11.230 13.379 -1.742 1.00 0.00 O ATOM 0 H GLU A 19 15.094 12.133 -6.126 1.00 0.00 H new ATOM 0 HA GLU A 19 12.605 10.836 -5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.668 11.890 -3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.911 13.383 -4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.535 13.918 -4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.142 12.332 -4.040 1.00 0.00 H new ATOM 318 N GLY A 20 12.448 13.665 -7.426 1.00 0.00 N ATOM 319 CA GLY A 20 11.602 14.392 -8.371 1.00 0.00 C ATOM 320 C GLY A 20 11.154 13.510 -9.543 1.00 0.00 C ATOM 321 O GLY A 20 9.981 13.559 -9.927 1.00 0.00 O ATOM 0 H GLY A 20 13.330 14.132 -7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.724 14.775 -7.850 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.147 15.255 -8.755 1.00 0.00 H new ATOM 325 N PHE A 21 12.036 12.656 -10.080 1.00 0.00 N ATOM 326 CA PHE A 21 11.627 11.691 -11.096 1.00 0.00 C ATOM 327 C PHE A 21 10.640 10.689 -10.506 1.00 0.00 C ATOM 328 O PHE A 21 9.567 10.513 -11.064 1.00 0.00 O ATOM 329 CB PHE A 21 12.831 10.978 -11.737 1.00 0.00 C ATOM 330 CG PHE A 21 13.723 11.887 -12.558 1.00 0.00 C ATOM 331 CD1 PHE A 21 13.179 12.648 -13.613 1.00 0.00 C ATOM 332 CD2 PHE A 21 15.078 12.039 -12.217 1.00 0.00 C ATOM 333 CE1 PHE A 21 13.957 13.635 -14.239 1.00 0.00 C ATOM 334 CE2 PHE A 21 15.861 13.006 -12.863 1.00 0.00 C ATOM 335 CZ PHE A 21 15.288 13.816 -13.857 1.00 0.00 C ATOM 0 H PHE A 21 13.024 12.617 -9.829 1.00 0.00 H new ATOM 0 HA PHE A 21 11.129 12.241 -11.895 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.427 10.516 -10.950 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.466 10.173 -12.374 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.165 12.472 -13.939 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.517 11.410 -11.456 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.527 14.253 -15.014 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.901 13.128 -12.597 1.00 0.00 H new ATOM 0 HZ PHE A 21 15.881 14.585 -14.330 1.00 0.00 H new ATOM 345 N ALA A 22 10.940 10.056 -9.377 1.00 0.00 N ATOM 346 CA ALA A 22 10.122 8.998 -8.797 1.00 0.00 C ATOM 347 C ALA A 22 8.693 9.451 -8.491 1.00 0.00 C ATOM 348 O ALA A 22 7.755 8.738 -8.844 1.00 0.00 O ATOM 349 CB ALA A 22 10.814 8.483 -7.538 1.00 0.00 C ATOM 0 H ALA A 22 11.774 10.268 -8.830 1.00 0.00 H new ATOM 0 HA ALA A 22 10.028 8.197 -9.531 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.214 7.690 -7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.798 8.091 -7.798 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.925 9.299 -6.824 1.00 0.00 H new ATOM 355 N LYS A 23 8.484 10.631 -7.895 1.00 0.00 N ATOM 356 CA LYS A 23 7.139 11.153 -7.668 1.00 0.00 C ATOM 357 C LYS A 23 6.432 11.581 -8.954 1.00 0.00 C ATOM 358 O LYS A 23 5.235 11.853 -8.908 1.00 0.00 O ATOM 359 CB LYS A 23 7.113 12.270 -6.617 1.00 0.00 C ATOM 360 CG LYS A 23 8.285 13.252 -6.672 1.00 0.00 C ATOM 361 CD LYS A 23 7.935 14.594 -6.032 1.00 0.00 C ATOM 362 CE LYS A 23 7.192 15.445 -7.068 1.00 0.00 C ATOM 363 NZ LYS A 23 6.759 16.755 -6.519 1.00 0.00 N ATOM 0 H LYS A 23 9.232 11.240 -7.563 1.00 0.00 H new ATOM 0 HA LYS A 23 6.570 10.314 -7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.186 12.831 -6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.090 11.814 -5.627 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.145 12.820 -6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.577 13.410 -7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.313 14.443 -5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.840 15.104 -5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.839 15.611 -7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.320 14.898 -7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.262 17.293 -7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.120 16.600 -5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.592 17.291 -6.202 1.00 0.00 H new ATOM 377 N THR A 24 7.111 11.640 -10.095 1.00 0.00 N ATOM 378 CA THR A 24 6.463 11.827 -11.374 1.00 0.00 C ATOM 379 C THR A 24 6.158 10.469 -12.024 1.00 0.00 C ATOM 380 O THR A 24 5.042 10.223 -12.483 1.00 0.00 O ATOM 381 CB THR A 24 7.391 12.695 -12.243 1.00 0.00 C ATOM 382 OG1 THR A 24 7.763 13.881 -11.561 1.00 0.00 O ATOM 383 CG2 THR A 24 6.677 13.091 -13.528 1.00 0.00 C ATOM 0 H THR A 24 8.126 11.559 -10.152 1.00 0.00 H new ATOM 0 HA THR A 24 5.504 12.333 -11.258 1.00 0.00 H new ATOM 0 HB THR A 24 8.282 12.108 -12.465 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.548 13.704 -11.001 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.340 13.705 -14.138 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.401 12.194 -14.082 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.778 13.658 -13.285 1.00 0.00 H new ATOM 391 N LEU A 25 7.153 9.584 -12.052 1.00 0.00 N ATOM 392 CA LEU A 25 7.160 8.332 -12.793 1.00 0.00 C ATOM 393 C LEU A 25 6.338 7.254 -12.102 1.00 0.00 C ATOM 394 O LEU A 25 5.597 6.519 -12.755 1.00 0.00 O ATOM 395 CB LEU A 25 8.606 7.815 -12.889 1.00 0.00 C ATOM 396 CG LEU A 25 9.583 8.675 -13.709 1.00 0.00 C ATOM 397 CD1 LEU A 25 10.982 8.099 -13.495 1.00 0.00 C ATOM 398 CD2 LEU A 25 9.228 8.680 -15.198 1.00 0.00 C ATOM 0 H LEU A 25 8.017 9.732 -11.531 1.00 0.00 H new ATOM 0 HA LEU A 25 6.730 8.532 -13.774 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.002 7.716 -11.878 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.584 6.815 -13.322 1.00 0.00 H new ATOM 0 HG LEU A 25 9.529 9.711 -13.376 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.707 8.683 -14.062 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.234 8.139 -12.435 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.005 7.064 -13.835 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.943 9.299 -15.740 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.264 7.661 -15.584 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.224 9.083 -15.331 1.00 0.00 H new ATOM 410 N GLY A 26 6.498 7.155 -10.783 1.00 0.00 N ATOM 411 CA GLY A 26 5.984 6.055 -9.986 1.00 0.00 C ATOM 412 C GLY A 26 4.920 6.441 -8.973 1.00 0.00 C ATOM 413 O GLY A 26 4.352 5.537 -8.356 1.00 0.00 O ATOM 0 H GLY A 26 6.999 7.853 -10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.570 5.302 -10.657 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.816 5.589 -9.458 1.00 0.00 H new ATOM 417 N ALA A 27 4.620 7.731 -8.789 1.00 0.00 N ATOM 418 CA ALA A 27 3.466 8.148 -8.001 1.00 0.00 C ATOM 419 C ALA A 27 2.210 7.463 -8.558 1.00 0.00 C ATOM 420 O ALA A 27 1.788 7.748 -9.683 1.00 0.00 O ATOM 421 CB ALA A 27 3.341 9.676 -7.995 1.00 0.00 C ATOM 0 H ALA A 27 5.164 8.502 -9.177 1.00 0.00 H new ATOM 0 HA ALA A 27 3.591 7.842 -6.962 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.474 9.968 -7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.241 10.113 -7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.219 10.035 -9.017 1.00 0.00 H new ATOM 427 N GLY A 28 1.662 6.518 -7.789 1.00 0.00 N ATOM 428 CA GLY A 28 0.602 5.605 -8.211 1.00 0.00 C ATOM 429 C GLY A 28 0.880 4.171 -7.747 1.00 0.00 C ATOM 430 O GLY A 28 -0.061 3.436 -7.444 1.00 0.00 O ATOM 0 H GLY A 28 1.955 6.364 -6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.352 5.941 -7.806 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.513 5.626 -9.297 1.00 0.00 H new ATOM 434 N LYS A 29 2.160 3.788 -7.619 1.00 0.00 N ATOM 435 CA LYS A 29 2.599 2.509 -7.047 1.00 0.00 C ATOM 436 C LYS A 29 3.647 2.703 -5.961 1.00 0.00 C ATOM 437 O LYS A 29 3.784 1.835 -5.097 1.00 0.00 O ATOM 438 CB LYS A 29 3.121 1.549 -8.132 1.00 0.00 C ATOM 439 CG LYS A 29 4.445 1.958 -8.811 1.00 0.00 C ATOM 440 CD LYS A 29 4.272 2.789 -10.080 1.00 0.00 C ATOM 441 CE LYS A 29 3.793 1.908 -11.243 1.00 0.00 C ATOM 442 NZ LYS A 29 3.675 2.656 -12.521 1.00 0.00 N ATOM 0 H LYS A 29 2.938 4.376 -7.919 1.00 0.00 H new ATOM 0 HA LYS A 29 1.720 2.056 -6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.253 0.564 -7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.355 1.450 -8.902 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.045 2.525 -8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.008 1.057 -9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.553 3.588 -9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.218 3.264 -10.342 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.488 1.079 -11.375 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.825 1.475 -10.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.348 2.013 -13.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.991 3.431 -12.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.603 3.048 -12.781 1.00 0.00 H new ATOM 456 N ILE A 30 4.354 3.834 -5.974 1.00 0.00 N ATOM 457 CA ILE A 30 5.311 4.177 -4.936 1.00 0.00 C ATOM 458 C ILE A 30 5.027 5.541 -4.332 1.00 0.00 C ATOM 459 O ILE A 30 4.397 6.402 -4.950 1.00 0.00 O ATOM 460 CB ILE A 30 6.767 4.107 -5.448 1.00 0.00 C ATOM 461 CG1 ILE A 30 7.056 5.013 -6.662 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.164 2.664 -5.764 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.545 5.330 -6.856 1.00 0.00 C ATOM 0 H ILE A 30 4.274 4.536 -6.710 1.00 0.00 H new ATOM 0 HA ILE A 30 5.194 3.430 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 30 7.378 4.490 -4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.676 4.530 -7.563 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.507 5.947 -6.545 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.193 2.640 -6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.080 2.058 -4.862 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.502 2.265 -6.533 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.670 5.971 -7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.926 5.842 -5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.098 4.403 -7.005 1.00 0.00 H new ATOM 475 N ALA A 31 5.555 5.715 -3.124 1.00 0.00 N ATOM 476 CA ALA A 31 5.640 6.966 -2.403 1.00 0.00 C ATOM 477 C ALA A 31 7.126 7.130 -2.103 1.00 0.00 C ATOM 478 O ALA A 31 7.780 6.172 -1.681 1.00 0.00 O ATOM 479 CB ALA A 31 4.808 6.888 -1.120 1.00 0.00 C ATOM 0 H ALA A 31 5.956 4.938 -2.598 1.00 0.00 H new ATOM 0 HA ALA A 31 5.249 7.814 -2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.878 7.834 -0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.766 6.690 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.187 6.084 -0.489 1.00 0.00 H new ATOM 485 N VAL A 32 7.665 8.317 -2.352 1.00 0.00 N ATOM 486 CA VAL A 32 9.089 8.559 -2.320 1.00 0.00 C ATOM 487 C VAL A 32 9.484 9.587 -1.264 1.00 0.00 C ATOM 488 O VAL A 32 8.695 10.449 -0.866 1.00 0.00 O ATOM 489 CB VAL A 32 9.504 8.985 -3.736 1.00 0.00 C ATOM 490 CG1 VAL A 32 8.706 10.159 -4.315 1.00 0.00 C ATOM 491 CG2 VAL A 32 10.993 9.315 -3.806 1.00 0.00 C ATOM 0 H VAL A 32 7.114 9.143 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 32 9.618 7.652 -2.028 1.00 0.00 H new ATOM 0 HB VAL A 32 9.276 8.115 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.070 10.388 -5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.650 9.892 -4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.829 11.033 -3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.252 9.613 -4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.217 10.132 -3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.574 8.436 -3.526 1.00 0.00 H new ATOM 501 N THR A 33 10.734 9.489 -0.825 1.00 0.00 N ATOM 502 CA THR A 33 11.430 10.469 -0.024 1.00 0.00 C ATOM 503 C THR A 33 12.919 10.396 -0.407 1.00 0.00 C ATOM 504 O THR A 33 13.396 9.357 -0.869 1.00 0.00 O ATOM 505 CB THR A 33 11.197 10.185 1.473 1.00 0.00 C ATOM 506 OG1 THR A 33 9.818 10.037 1.770 1.00 0.00 O ATOM 507 CG2 THR A 33 11.732 11.297 2.374 1.00 0.00 C ATOM 0 H THR A 33 11.314 8.676 -1.034 1.00 0.00 H new ATOM 0 HA THR A 33 11.060 11.477 -0.210 1.00 0.00 H new ATOM 0 HB THR A 33 11.737 9.259 1.670 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.716 9.632 2.656 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.541 11.044 3.417 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.805 11.407 2.218 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.232 12.235 2.131 1.00 0.00 H new ATOM 515 N SER A 34 13.662 11.490 -0.261 1.00 0.00 N ATOM 516 CA SER A 34 15.112 11.517 -0.340 1.00 0.00 C ATOM 517 C SER A 34 15.665 11.989 1.010 1.00 0.00 C ATOM 518 O SER A 34 14.998 12.733 1.737 1.00 0.00 O ATOM 519 CB SER A 34 15.586 12.392 -1.502 1.00 0.00 C ATOM 520 OG SER A 34 15.417 13.778 -1.301 1.00 0.00 O ATOM 0 H SER A 34 13.255 12.408 -0.079 1.00 0.00 H new ATOM 0 HA SER A 34 15.493 10.516 -0.544 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.642 12.191 -1.684 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.046 12.100 -2.403 1.00 0.00 H new ATOM 0 HG SER A 34 14.725 14.115 -1.908 1.00 0.00 H new ATOM 526 N CYS A 35 16.891 11.587 1.347 1.00 0.00 N ATOM 527 CA CYS A 35 17.600 12.064 2.517 1.00 0.00 C ATOM 528 C CYS A 35 19.096 11.965 2.219 1.00 0.00 C ATOM 529 O CYS A 35 19.494 11.713 1.071 1.00 0.00 O ATOM 530 CB CYS A 35 17.161 11.265 3.757 1.00 0.00 C ATOM 531 SG CYS A 35 17.708 9.540 3.683 1.00 0.00 S ATOM 0 H CYS A 35 17.421 10.909 0.800 1.00 0.00 H new ATOM 0 HA CYS A 35 17.367 13.105 2.741 1.00 0.00 H new ATOM 0 HB2 CYS A 35 17.566 11.735 4.653 1.00 0.00 H new ATOM 0 HB3 CYS A 35 16.075 11.297 3.843 1.00 0.00 H new ATOM 0 HG CYS A 35 16.780 8.814 3.134 1.00 0.00 H new ATOM 537 N GLY A 36 19.941 12.158 3.224 1.00 0.00 N ATOM 538 CA GLY A 36 21.354 11.875 3.092 1.00 0.00 C ATOM 539 C GLY A 36 21.976 11.556 4.435 1.00 0.00 C ATOM 540 O GLY A 36 21.384 11.845 5.476 1.00 0.00 O ATOM 0 H GLY A 36 19.665 12.511 4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.497 11.034 2.413 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.860 12.733 2.649 1.00 0.00 H new ATOM 544 N LEU A 37 23.164 10.948 4.403 1.00 0.00 N ATOM 545 CA LEU A 37 23.895 10.563 5.612 1.00 0.00 C ATOM 546 C LEU A 37 24.169 11.788 6.489 1.00 0.00 C ATOM 547 O LEU A 37 24.159 11.690 7.716 1.00 0.00 O ATOM 548 CB LEU A 37 25.194 9.812 5.270 1.00 0.00 C ATOM 549 CG LEU A 37 25.005 8.550 4.402 1.00 0.00 C ATOM 550 CD1 LEU A 37 26.336 7.800 4.290 1.00 0.00 C ATOM 551 CD2 LEU A 37 23.933 7.595 4.943 1.00 0.00 C ATOM 0 H LEU A 37 23.647 10.709 3.537 1.00 0.00 H new ATOM 0 HA LEU A 37 23.269 9.875 6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 37 25.866 10.495 4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 37 25.687 9.526 6.199 1.00 0.00 H new ATOM 0 HG LEU A 37 24.665 8.892 3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 37 26.201 6.909 3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 37 27.081 8.448 3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 37 26.674 7.508 5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 37 23.852 6.729 4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.211 7.265 5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 37 22.974 8.111 4.984 1.00 0.00 H new ATOM 563 N GLU A 38 24.356 12.942 5.850 1.00 0.00 N ATOM 564 CA GLU A 38 24.408 14.265 6.442 1.00 0.00 C ATOM 565 C GLU A 38 23.700 15.149 5.412 1.00 0.00 C ATOM 566 O GLU A 38 23.950 15.014 4.208 1.00 0.00 O ATOM 567 CB GLU A 38 25.856 14.735 6.663 1.00 0.00 C ATOM 568 CG GLU A 38 26.591 13.952 7.761 1.00 0.00 C ATOM 569 CD GLU A 38 27.985 14.542 8.037 1.00 0.00 C ATOM 570 OE1 GLU A 38 28.114 15.436 8.906 1.00 0.00 O ATOM 571 OE2 GLU A 38 28.976 14.106 7.407 1.00 0.00 O ATOM 0 H GLU A 38 24.483 12.972 4.838 1.00 0.00 H new ATOM 0 HA GLU A 38 23.942 14.296 7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 38 26.408 14.640 5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.851 15.793 6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 38 26.001 13.967 8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.689 12.909 7.462 1.00 0.00 H new ATOM 578 N SER A 39 22.776 16.000 5.853 1.00 0.00 N ATOM 579 CA SER A 39 22.034 16.889 4.972 1.00 0.00 C ATOM 580 C SER A 39 22.899 18.079 4.532 1.00 0.00 C ATOM 581 O SER A 39 23.743 18.569 5.290 1.00 0.00 O ATOM 582 CB SER A 39 20.760 17.363 5.689 1.00 0.00 C ATOM 583 OG SER A 39 20.980 17.578 7.078 1.00 0.00 O ATOM 0 H SER A 39 22.522 16.090 6.837 1.00 0.00 H new ATOM 0 HA SER A 39 21.753 16.346 4.069 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.408 18.287 5.230 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.972 16.621 5.557 1.00 0.00 H new ATOM 0 HG SER A 39 20.148 17.880 7.498 1.00 0.00 H new ATOM 589 N SER A 40 22.613 18.577 3.329 1.00 0.00 N ATOM 590 CA SER A 40 23.119 19.813 2.747 1.00 0.00 C ATOM 591 C SER A 40 22.000 20.364 1.852 1.00 0.00 C ATOM 592 O SER A 40 21.106 19.613 1.448 1.00 0.00 O ATOM 593 CB SER A 40 24.392 19.525 1.932 1.00 0.00 C ATOM 594 OG SER A 40 25.478 19.157 2.769 1.00 0.00 O ATOM 0 H SER A 40 21.978 18.092 2.695 1.00 0.00 H new ATOM 0 HA SER A 40 23.387 20.540 3.514 1.00 0.00 H new ATOM 0 HB2 SER A 40 24.194 18.725 1.219 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.661 20.408 1.353 1.00 0.00 H new ATOM 0 HG SER A 40 26.269 18.980 2.219 1.00 0.00 H new ATOM 600 N ARG A 41 22.011 21.668 1.549 1.00 0.00 N ATOM 601 CA ARG A 41 21.033 22.311 0.667 1.00 0.00 C ATOM 602 C ARG A 41 20.927 21.569 -0.660 1.00 0.00 C ATOM 603 O ARG A 41 21.947 21.089 -1.165 1.00 0.00 O ATOM 604 CB ARG A 41 21.372 23.807 0.450 1.00 0.00 C ATOM 605 CG ARG A 41 22.519 24.140 -0.534 1.00 0.00 C ATOM 606 CD ARG A 41 23.908 23.685 -0.066 1.00 0.00 C ATOM 607 NE ARG A 41 24.928 23.802 -1.125 1.00 0.00 N ATOM 608 CZ ARG A 41 25.331 22.801 -1.922 1.00 0.00 C ATOM 609 NH1 ARG A 41 24.657 21.659 -1.983 1.00 0.00 N ATOM 610 NH2 ARG A 41 26.420 22.935 -2.671 1.00 0.00 N ATOM 0 H ARG A 41 22.710 22.314 1.916 1.00 0.00 H new ATOM 0 HA ARG A 41 20.059 22.263 1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 41 20.471 24.310 0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.622 24.240 1.419 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.303 23.675 -1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 41 22.539 25.217 -0.698 1.00 0.00 H new ATOM 0 HD2 ARG A 41 24.212 24.282 0.794 1.00 0.00 H new ATOM 0 HD3 ARG A 41 23.854 22.649 0.269 1.00 0.00 H new ATOM 0 HE ARG A 41 25.361 24.715 -1.262 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.817 21.532 -1.418 1.00 0.00 H new ATOM 0 HH12 ARG A 41 24.979 20.909 -2.595 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.955 23.803 -2.642 1.00 0.00 H new ATOM 0 HH22 ARG A 41 26.721 22.170 -3.275 1.00 0.00 H new ATOM 624 N VAL A 42 19.731 21.509 -1.237 1.00 0.00 N ATOM 625 CA VAL A 42 19.559 21.029 -2.603 1.00 0.00 C ATOM 626 C VAL A 42 20.267 22.017 -3.540 1.00 0.00 C ATOM 627 O VAL A 42 20.224 23.233 -3.331 1.00 0.00 O ATOM 628 CB VAL A 42 18.071 20.763 -2.922 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.112 21.906 -2.564 1.00 0.00 C ATOM 630 CG2 VAL A 42 17.867 20.361 -4.393 1.00 0.00 C ATOM 0 H VAL A 42 18.864 21.788 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 42 20.026 20.055 -2.749 1.00 0.00 H new ATOM 0 HB VAL A 42 17.810 19.931 -2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.093 21.622 -2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 42 17.169 22.107 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.392 22.803 -3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.808 20.182 -4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.218 21.164 -5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.430 19.452 -4.603 1.00 0.00 H new ATOM 640 N HIS A 43 20.964 21.480 -4.539 1.00 0.00 N ATOM 641 CA HIS A 43 21.792 22.258 -5.450 1.00 0.00 C ATOM 642 C HIS A 43 20.914 22.846 -6.573 1.00 0.00 C ATOM 643 O HIS A 43 19.918 22.217 -6.939 1.00 0.00 O ATOM 644 CB HIS A 43 22.884 21.324 -5.973 1.00 0.00 C ATOM 645 CG HIS A 43 24.096 22.025 -6.516 1.00 0.00 C ATOM 646 ND1 HIS A 43 24.555 21.949 -7.805 1.00 0.00 N ATOM 647 CD2 HIS A 43 24.936 22.869 -5.838 1.00 0.00 C ATOM 648 CE1 HIS A 43 25.645 22.728 -7.907 1.00 0.00 C ATOM 649 NE2 HIS A 43 25.914 23.322 -6.732 1.00 0.00 N ATOM 0 H HIS A 43 20.968 20.480 -4.739 1.00 0.00 H new ATOM 0 HA HIS A 43 22.263 23.107 -4.955 1.00 0.00 H new ATOM 0 HB2 HIS A 43 23.195 20.661 -5.166 1.00 0.00 H new ATOM 0 HB3 HIS A 43 22.462 20.695 -6.757 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.857 23.138 -4.795 1.00 0.00 H new ATOM 0 HE1 HIS A 43 26.225 22.859 -8.809 1.00 0.00 H new ATOM 0 HE2 HIS A 43 26.675 23.971 -6.532 1.00 0.00 H new ATOM 657 N PRO A 44 21.237 24.021 -7.150 1.00 0.00 N ATOM 658 CA PRO A 44 20.318 24.708 -8.046 1.00 0.00 C ATOM 659 C PRO A 44 20.356 24.160 -9.471 1.00 0.00 C ATOM 660 O PRO A 44 19.306 24.017 -10.084 1.00 0.00 O ATOM 661 CB PRO A 44 20.732 26.179 -7.985 1.00 0.00 C ATOM 662 CG PRO A 44 22.238 26.121 -7.734 1.00 0.00 C ATOM 663 CD PRO A 44 22.440 24.819 -6.952 1.00 0.00 C ATOM 0 HA PRO A 44 19.283 24.562 -7.736 1.00 0.00 H new ATOM 0 HB2 PRO A 44 20.501 26.699 -8.915 1.00 0.00 H new ATOM 0 HB3 PRO A 44 20.213 26.708 -7.186 1.00 0.00 H new ATOM 0 HG2 PRO A 44 22.797 26.114 -8.669 1.00 0.00 H new ATOM 0 HG3 PRO A 44 22.580 26.985 -7.164 1.00 0.00 H new ATOM 0 HD2 PRO A 44 23.321 24.286 -7.309 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.599 25.024 -5.893 1.00 0.00 H new ATOM 671 N THR A 45 21.513 23.796 -10.020 1.00 0.00 N ATOM 672 CA THR A 45 21.579 23.314 -11.399 1.00 0.00 C ATOM 673 C THR A 45 20.776 22.019 -11.574 1.00 0.00 C ATOM 674 O THR A 45 20.208 21.785 -12.639 1.00 0.00 O ATOM 675 CB THR A 45 23.062 23.129 -11.760 1.00 0.00 C ATOM 676 OG1 THR A 45 23.768 24.325 -11.470 1.00 0.00 O ATOM 677 CG2 THR A 45 23.314 22.712 -13.210 1.00 0.00 C ATOM 0 H THR A 45 22.411 23.825 -9.537 1.00 0.00 H new ATOM 0 HA THR A 45 21.127 24.038 -12.077 1.00 0.00 H new ATOM 0 HB THR A 45 23.424 22.301 -11.150 1.00 0.00 H new ATOM 0 HG1 THR A 45 24.714 24.210 -11.697 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.386 22.604 -13.377 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.819 21.761 -13.406 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.917 23.473 -13.882 1.00 0.00 H new ATOM 685 N ALA A 46 20.628 21.233 -10.502 1.00 0.00 N ATOM 686 CA ALA A 46 19.761 20.067 -10.462 1.00 0.00 C ATOM 687 C ALA A 46 18.385 20.385 -11.031 1.00 0.00 C ATOM 688 O ALA A 46 17.859 19.620 -11.838 1.00 0.00 O ATOM 689 CB ALA A 46 19.604 19.648 -9.002 1.00 0.00 C ATOM 0 H ALA A 46 21.121 21.399 -9.624 1.00 0.00 H new ATOM 0 HA ALA A 46 20.204 19.271 -11.061 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.957 18.773 -8.942 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.582 19.405 -8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.161 20.466 -8.434 1.00 0.00 H new ATOM 695 N ILE A 47 17.831 21.538 -10.643 1.00 0.00 N ATOM 696 CA ILE A 47 16.525 21.986 -11.047 1.00 0.00 C ATOM 697 C ILE A 47 16.478 22.012 -12.576 1.00 0.00 C ATOM 698 O ILE A 47 15.522 21.529 -13.173 1.00 0.00 O ATOM 699 CB ILE A 47 16.294 23.401 -10.475 1.00 0.00 C ATOM 700 CG1 ILE A 47 16.399 23.460 -8.930 1.00 0.00 C ATOM 701 CG2 ILE A 47 14.946 23.937 -10.947 1.00 0.00 C ATOM 702 CD1 ILE A 47 16.636 24.885 -8.416 1.00 0.00 C ATOM 0 H ILE A 47 18.305 22.193 -10.021 1.00 0.00 H new ATOM 0 HA ILE A 47 15.747 21.320 -10.675 1.00 0.00 H new ATOM 0 HB ILE A 47 17.095 24.035 -10.856 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.483 23.066 -8.491 1.00 0.00 H new ATOM 0 HG13 ILE A 47 17.214 22.817 -8.599 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.789 24.936 -10.540 1.00 0.00 H new ATOM 0 HG22 ILE A 47 14.934 23.983 -12.036 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.151 23.276 -10.603 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.702 24.873 -7.328 1.00 0.00 H new ATOM 0 HD12 ILE A 47 17.566 25.272 -8.832 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.808 25.525 -8.722 1.00 0.00 H new ATOM 714 N ALA A 48 17.522 22.557 -13.205 1.00 0.00 N ATOM 715 CA ALA A 48 17.574 22.810 -14.625 1.00 0.00 C ATOM 716 C ALA A 48 17.523 21.496 -15.393 1.00 0.00 C ATOM 717 O ALA A 48 16.926 21.413 -16.463 1.00 0.00 O ATOM 718 CB ALA A 48 18.833 23.614 -14.969 1.00 0.00 C ATOM 0 H ALA A 48 18.372 22.838 -12.716 1.00 0.00 H new ATOM 0 HA ALA A 48 16.707 23.402 -14.919 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.864 23.800 -16.043 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.814 24.565 -14.436 1.00 0.00 H new ATOM 0 HB3 ALA A 48 19.717 23.050 -14.673 1.00 0.00 H new ATOM 724 N MET A 49 18.121 20.451 -14.828 1.00 0.00 N ATOM 725 CA MET A 49 18.156 19.144 -15.456 1.00 0.00 C ATOM 726 C MET A 49 16.754 18.501 -15.437 1.00 0.00 C ATOM 727 O MET A 49 16.267 17.928 -16.428 1.00 0.00 O ATOM 728 CB MET A 49 19.203 18.289 -14.736 1.00 0.00 C ATOM 729 CG MET A 49 20.472 18.992 -14.244 1.00 0.00 C ATOM 730 SD MET A 49 21.211 20.333 -15.239 1.00 0.00 S ATOM 731 CE MET A 49 21.437 19.531 -16.830 1.00 0.00 C ATOM 0 H MET A 49 18.592 20.491 -13.924 1.00 0.00 H new ATOM 0 HA MET A 49 18.442 19.229 -16.504 1.00 0.00 H new ATOM 0 HB2 MET A 49 18.722 17.822 -13.877 1.00 0.00 H new ATOM 0 HB3 MET A 49 19.503 17.486 -15.409 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.255 19.401 -13.257 1.00 0.00 H new ATOM 0 HG3 MET A 49 21.237 18.227 -14.111 1.00 0.00 H new ATOM 0 HE1 MET A 49 22.263 20.003 -17.361 1.00 0.00 H new ATOM 0 HE2 MET A 49 21.660 18.475 -16.677 1.00 0.00 H new ATOM 0 HE3 MET A 49 20.525 19.627 -17.419 1.00 0.00 H new ATOM 741 N MET A 50 16.065 18.651 -14.309 1.00 0.00 N ATOM 742 CA MET A 50 14.683 18.215 -14.181 1.00 0.00 C ATOM 743 C MET A 50 13.827 19.002 -15.150 1.00 0.00 C ATOM 744 O MET A 50 12.967 18.421 -15.801 1.00 0.00 O ATOM 745 CB MET A 50 14.119 18.467 -12.788 1.00 0.00 C ATOM 746 CG MET A 50 14.924 17.881 -11.651 1.00 0.00 C ATOM 747 SD MET A 50 15.370 16.143 -11.700 1.00 0.00 S ATOM 748 CE MET A 50 13.722 15.440 -11.460 1.00 0.00 C ATOM 0 H MET A 50 16.448 19.076 -13.465 1.00 0.00 H new ATOM 0 HA MET A 50 14.667 17.144 -14.383 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.036 19.543 -12.636 1.00 0.00 H new ATOM 0 HB3 MET A 50 13.109 18.060 -12.744 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.847 18.455 -11.573 1.00 0.00 H new ATOM 0 HG3 MET A 50 14.364 18.051 -10.731 1.00 0.00 H new ATOM 0 HE1 MET A 50 13.809 14.378 -11.230 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.225 15.950 -10.635 1.00 0.00 H new ATOM 0 HE3 MET A 50 13.136 15.567 -12.370 1.00 0.00 H new ATOM 758 N GLU A 51 14.082 20.302 -15.275 1.00 0.00 N ATOM 759 CA GLU A 51 13.362 21.171 -16.188 1.00 0.00 C ATOM 760 C GLU A 51 13.551 20.724 -17.637 1.00 0.00 C ATOM 761 O GLU A 51 12.661 20.962 -18.454 1.00 0.00 O ATOM 762 CB GLU A 51 13.826 22.620 -16.008 1.00 0.00 C ATOM 763 CG GLU A 51 13.123 23.324 -14.838 1.00 0.00 C ATOM 764 CD GLU A 51 13.458 24.826 -14.797 1.00 0.00 C ATOM 765 OE1 GLU A 51 14.629 25.199 -14.566 1.00 0.00 O ATOM 766 OE2 GLU A 51 12.541 25.657 -14.997 1.00 0.00 O ATOM 0 H GLU A 51 14.803 20.782 -14.737 1.00 0.00 H new ATOM 0 HA GLU A 51 12.299 21.108 -15.955 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.903 22.635 -15.842 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.638 23.175 -16.927 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.045 23.193 -14.929 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.422 22.858 -13.899 1.00 0.00 H new ATOM 773 N GLU A 52 14.654 20.036 -17.958 1.00 0.00 N ATOM 774 CA GLU A 52 14.805 19.437 -19.276 1.00 0.00 C ATOM 775 C GLU A 52 13.774 18.337 -19.471 1.00 0.00 C ATOM 776 O GLU A 52 13.175 18.227 -20.544 1.00 0.00 O ATOM 777 CB GLU A 52 16.185 18.828 -19.522 1.00 0.00 C ATOM 778 CG GLU A 52 17.333 19.820 -19.324 1.00 0.00 C ATOM 779 CD GLU A 52 18.542 19.417 -20.173 1.00 0.00 C ATOM 780 OE1 GLU A 52 19.360 18.596 -19.701 1.00 0.00 O ATOM 781 OE2 GLU A 52 18.670 19.872 -21.331 1.00 0.00 O ATOM 0 H GLU A 52 15.442 19.885 -17.328 1.00 0.00 H new ATOM 0 HA GLU A 52 14.666 20.254 -19.984 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.326 17.982 -18.849 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.225 18.436 -20.538 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.006 20.823 -19.599 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.615 19.854 -18.272 1.00 0.00 H new ATOM 788 N VAL A 53 13.570 17.524 -18.431 1.00 0.00 N ATOM 789 CA VAL A 53 12.581 16.442 -18.519 1.00 0.00 C ATOM 790 C VAL A 53 11.147 16.999 -18.391 1.00 0.00 C ATOM 791 O VAL A 53 10.209 16.414 -18.938 1.00 0.00 O ATOM 792 CB VAL A 53 12.917 15.343 -17.492 1.00 0.00 C ATOM 793 CG1 VAL A 53 11.964 14.140 -17.568 1.00 0.00 C ATOM 794 CG2 VAL A 53 14.345 14.816 -17.734 1.00 0.00 C ATOM 0 H VAL A 53 14.061 17.589 -17.539 1.00 0.00 H new ATOM 0 HA VAL A 53 12.627 15.975 -19.503 1.00 0.00 H new ATOM 0 HB VAL A 53 12.818 15.806 -16.510 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.252 13.400 -16.821 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.944 14.472 -17.376 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.020 13.694 -18.561 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.575 14.040 -17.004 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.414 14.401 -18.739 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.057 15.634 -17.630 1.00 0.00 H new ATOM 804 N GLY A 54 10.973 18.147 -17.729 1.00 0.00 N ATOM 805 CA GLY A 54 9.689 18.805 -17.496 1.00 0.00 C ATOM 806 C GLY A 54 9.267 18.733 -16.025 1.00 0.00 C ATOM 807 O GLY A 54 8.072 18.793 -15.731 1.00 0.00 O ATOM 0 H GLY A 54 11.756 18.662 -17.326 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.755 19.849 -17.804 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.924 18.338 -18.116 1.00 0.00 H new ATOM 811 N ILE A 55 10.225 18.557 -15.109 1.00 0.00 N ATOM 812 CA ILE A 55 10.011 18.377 -13.669 1.00 0.00 C ATOM 813 C ILE A 55 10.771 19.507 -12.936 1.00 0.00 C ATOM 814 O ILE A 55 11.430 20.330 -13.573 1.00 0.00 O ATOM 815 CB ILE A 55 10.423 16.922 -13.314 1.00 0.00 C ATOM 816 CG1 ILE A 55 9.527 15.897 -14.057 1.00 0.00 C ATOM 817 CG2 ILE A 55 10.375 16.575 -11.812 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.272 14.590 -14.314 1.00 0.00 C ATOM 0 H ILE A 55 11.213 18.535 -15.362 1.00 0.00 H new ATOM 0 HA ILE A 55 8.974 18.473 -13.348 1.00 0.00 H new ATOM 0 HB ILE A 55 11.464 16.861 -13.631 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.633 15.698 -13.467 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.195 16.321 -15.005 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.680 15.538 -11.668 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.052 17.231 -11.265 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.359 16.710 -11.440 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.616 13.894 -14.836 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.152 14.787 -14.926 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.581 14.154 -13.364 1.00 0.00 H new ATOM 830 N ASP A 56 10.680 19.581 -11.606 1.00 0.00 N ATOM 831 CA ASP A 56 11.275 20.626 -10.770 1.00 0.00 C ATOM 832 C ASP A 56 11.761 20.024 -9.447 1.00 0.00 C ATOM 833 O ASP A 56 11.254 18.983 -9.025 1.00 0.00 O ATOM 834 CB ASP A 56 10.211 21.695 -10.469 1.00 0.00 C ATOM 835 CG ASP A 56 10.712 22.712 -9.435 1.00 0.00 C ATOM 836 OD1 ASP A 56 11.770 23.328 -9.690 1.00 0.00 O ATOM 837 OD2 ASP A 56 10.111 22.827 -8.344 1.00 0.00 O ATOM 0 H ASP A 56 10.169 18.887 -11.060 1.00 0.00 H new ATOM 0 HA ASP A 56 12.119 21.070 -11.298 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.943 22.213 -11.390 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.305 21.214 -10.099 1.00 0.00 H new ATOM 842 N ILE A 57 12.711 20.694 -8.783 1.00 0.00 N ATOM 843 CA ILE A 57 13.131 20.385 -7.415 1.00 0.00 C ATOM 844 C ILE A 57 13.159 21.639 -6.524 1.00 0.00 C ATOM 845 O ILE A 57 13.126 21.498 -5.305 1.00 0.00 O ATOM 846 CB ILE A 57 14.484 19.646 -7.343 1.00 0.00 C ATOM 847 CG1 ILE A 57 14.953 18.899 -8.597 1.00 0.00 C ATOM 848 CG2 ILE A 57 14.436 18.639 -6.191 1.00 0.00 C ATOM 849 CD1 ILE A 57 16.415 18.484 -8.483 1.00 0.00 C ATOM 0 H ILE A 57 13.217 21.480 -9.191 1.00 0.00 H new ATOM 0 HA ILE A 57 12.373 19.703 -7.030 1.00 0.00 H new ATOM 0 HB ILE A 57 15.209 20.448 -7.208 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.333 18.015 -8.749 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.821 19.535 -9.472 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.387 18.110 -6.130 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.253 19.166 -5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.633 17.923 -6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 57 16.715 17.957 -9.389 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.036 19.371 -8.356 1.00 0.00 H new ATOM 0 HD13 ILE A 57 16.541 17.827 -7.622 1.00 0.00 H new ATOM 861 N SER A 58 13.175 22.850 -7.093 1.00 0.00 N ATOM 862 CA SER A 58 13.060 24.122 -6.368 1.00 0.00 C ATOM 863 C SER A 58 11.989 24.098 -5.263 1.00 0.00 C ATOM 864 O SER A 58 12.181 24.689 -4.198 1.00 0.00 O ATOM 865 CB SER A 58 12.685 25.256 -7.335 1.00 0.00 C ATOM 866 OG SER A 58 13.255 25.097 -8.608 1.00 0.00 O ATOM 0 H SER A 58 13.271 22.976 -8.101 1.00 0.00 H new ATOM 0 HA SER A 58 14.035 24.285 -5.910 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.600 25.301 -7.431 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.008 26.208 -6.914 1.00 0.00 H new ATOM 0 HG SER A 58 12.576 24.765 -9.231 1.00 0.00 H new ATOM 872 N GLY A 59 10.858 23.429 -5.523 1.00 0.00 N ATOM 873 CA GLY A 59 9.708 23.374 -4.632 1.00 0.00 C ATOM 874 C GLY A 59 9.937 22.539 -3.369 1.00 0.00 C ATOM 875 O GLY A 59 9.106 22.605 -2.460 1.00 0.00 O ATOM 0 H GLY A 59 10.721 22.899 -6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.439 24.389 -4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.858 22.963 -5.177 1.00 0.00 H new ATOM 879 N GLN A 60 11.032 21.774 -3.282 1.00 0.00 N ATOM 880 CA GLN A 60 11.359 20.918 -2.156 1.00 0.00 C ATOM 881 C GLN A 60 12.734 21.230 -1.558 1.00 0.00 C ATOM 882 O GLN A 60 13.534 21.974 -2.127 1.00 0.00 O ATOM 883 CB GLN A 60 11.195 19.444 -2.558 1.00 0.00 C ATOM 884 CG GLN A 60 12.165 18.882 -3.611 1.00 0.00 C ATOM 885 CD GLN A 60 12.051 17.357 -3.734 1.00 0.00 C ATOM 886 OE1 GLN A 60 10.970 16.777 -3.655 1.00 0.00 O ATOM 887 NE2 GLN A 60 13.164 16.671 -3.919 1.00 0.00 N ATOM 0 H GLN A 60 11.732 21.739 -4.023 1.00 0.00 H new ATOM 0 HA GLN A 60 10.654 21.125 -1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.289 18.837 -1.657 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.179 19.308 -2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.958 19.341 -4.578 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.187 19.150 -3.343 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.058 17.158 -3.984 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.130 15.655 -3.997 1.00 0.00 H new ATOM 896 N THR A 61 12.991 20.646 -0.390 1.00 0.00 N ATOM 897 CA THR A 61 14.166 20.857 0.445 1.00 0.00 C ATOM 898 C THR A 61 14.811 19.505 0.781 1.00 0.00 C ATOM 899 O THR A 61 14.386 18.457 0.281 1.00 0.00 O ATOM 900 CB THR A 61 13.723 21.632 1.704 1.00 0.00 C ATOM 901 OG1 THR A 61 12.577 21.031 2.288 1.00 0.00 O ATOM 902 CG2 THR A 61 13.368 23.071 1.337 1.00 0.00 C ATOM 0 H THR A 61 12.344 19.973 0.021 1.00 0.00 H new ATOM 0 HA THR A 61 14.923 21.445 -0.074 1.00 0.00 H new ATOM 0 HB THR A 61 14.551 21.613 2.413 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.313 21.536 3.085 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.057 23.609 2.233 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.240 23.562 0.904 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.554 23.071 0.612 1.00 0.00 H new ATOM 910 N SER A 62 15.855 19.525 1.609 1.00 0.00 N ATOM 911 CA SER A 62 16.660 18.370 1.974 1.00 0.00 C ATOM 912 C SER A 62 16.488 18.030 3.463 1.00 0.00 C ATOM 913 O SER A 62 16.070 18.878 4.258 1.00 0.00 O ATOM 914 CB SER A 62 18.106 18.704 1.592 1.00 0.00 C ATOM 915 OG SER A 62 18.519 19.970 2.069 1.00 0.00 O ATOM 0 H SER A 62 16.172 20.383 2.060 1.00 0.00 H new ATOM 0 HA SER A 62 16.344 17.472 1.442 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.769 17.936 1.991 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.206 18.679 0.507 1.00 0.00 H new ATOM 0 HG SER A 62 19.483 20.075 1.925 1.00 0.00 H new ATOM 921 N ASP A 63 16.798 16.786 3.849 1.00 0.00 N ATOM 922 CA ASP A 63 16.626 16.279 5.215 1.00 0.00 C ATOM 923 C ASP A 63 17.662 15.186 5.498 1.00 0.00 C ATOM 924 O ASP A 63 18.065 14.481 4.567 1.00 0.00 O ATOM 925 CB ASP A 63 15.217 15.686 5.405 1.00 0.00 C ATOM 926 CG ASP A 63 14.177 16.733 5.831 1.00 0.00 C ATOM 927 OD1 ASP A 63 14.292 17.289 6.946 1.00 0.00 O ATOM 928 OD2 ASP A 63 13.211 16.975 5.072 1.00 0.00 O ATOM 0 H ASP A 63 17.182 16.091 3.208 1.00 0.00 H new ATOM 0 HA ASP A 63 16.760 17.112 5.905 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.896 15.221 4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.259 14.897 6.156 1.00 0.00 H new ATOM 933 N PRO A 64 18.107 15.014 6.756 1.00 0.00 N ATOM 934 CA PRO A 64 19.053 13.972 7.126 1.00 0.00 C ATOM 935 C PRO A 64 18.336 12.628 7.297 1.00 0.00 C ATOM 936 O PRO A 64 17.181 12.575 7.732 1.00 0.00 O ATOM 937 CB PRO A 64 19.656 14.442 8.452 1.00 0.00 C ATOM 938 CG PRO A 64 18.509 15.211 9.107 1.00 0.00 C ATOM 939 CD PRO A 64 17.777 15.835 7.917 1.00 0.00 C ATOM 0 HA PRO A 64 19.816 13.818 6.363 1.00 0.00 H new ATOM 0 HB2 PRO A 64 19.980 13.602 9.067 1.00 0.00 H new ATOM 0 HB3 PRO A 64 20.528 15.077 8.295 1.00 0.00 H new ATOM 0 HG2 PRO A 64 17.857 14.551 9.679 1.00 0.00 H new ATOM 0 HG3 PRO A 64 18.877 15.971 9.796 1.00 0.00 H new ATOM 0 HD2 PRO A 64 16.701 15.852 8.088 1.00 0.00 H new ATOM 0 HD3 PRO A 64 18.092 16.867 7.765 1.00 0.00 H new ATOM 947 N ILE A 65 19.058 11.536 7.040 1.00 0.00 N ATOM 948 CA ILE A 65 18.616 10.164 7.295 1.00 0.00 C ATOM 949 C ILE A 65 18.135 10.008 8.744 1.00 0.00 C ATOM 950 O ILE A 65 17.156 9.312 9.010 1.00 0.00 O ATOM 951 CB ILE A 65 19.744 9.183 6.923 1.00 0.00 C ATOM 952 CG1 ILE A 65 19.160 7.758 6.895 1.00 0.00 C ATOM 953 CG2 ILE A 65 20.996 9.291 7.818 1.00 0.00 C ATOM 954 CD1 ILE A 65 20.163 6.749 6.354 1.00 0.00 C ATOM 0 H ILE A 65 19.994 11.583 6.637 1.00 0.00 H new ATOM 0 HA ILE A 65 17.758 9.927 6.666 1.00 0.00 H new ATOM 0 HB ILE A 65 20.113 9.452 5.933 1.00 0.00 H new ATOM 0 HG12 ILE A 65 18.859 7.468 7.902 1.00 0.00 H new ATOM 0 HG13 ILE A 65 18.262 7.745 6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.742 8.567 7.490 1.00 0.00 H new ATOM 0 HG22 ILE A 65 21.410 10.297 7.745 1.00 0.00 H new ATOM 0 HG23 ILE A 65 20.722 9.086 8.853 1.00 0.00 H new ATOM 0 HD11 ILE A 65 19.714 5.756 6.350 1.00 0.00 H new ATOM 0 HD12 ILE A 65 20.444 7.024 5.337 1.00 0.00 H new ATOM 0 HD13 ILE A 65 21.051 6.743 6.987 1.00 0.00 H new ATOM 966 N GLU A 66 18.806 10.707 9.667 1.00 0.00 N ATOM 967 CA GLU A 66 18.648 10.586 11.110 1.00 0.00 C ATOM 968 C GLU A 66 17.212 10.858 11.578 1.00 0.00 C ATOM 969 O GLU A 66 16.813 10.362 12.634 1.00 0.00 O ATOM 970 CB GLU A 66 19.619 11.557 11.809 1.00 0.00 C ATOM 971 CG GLU A 66 21.082 11.429 11.348 1.00 0.00 C ATOM 972 CD GLU A 66 22.030 12.227 12.262 1.00 0.00 C ATOM 973 OE1 GLU A 66 22.200 13.450 12.055 1.00 0.00 O ATOM 974 OE2 GLU A 66 22.627 11.637 13.191 1.00 0.00 O ATOM 0 H GLU A 66 19.505 11.404 9.410 1.00 0.00 H new ATOM 0 HA GLU A 66 18.876 9.555 11.379 1.00 0.00 H new ATOM 0 HB2 GLU A 66 19.283 12.579 11.633 1.00 0.00 H new ATOM 0 HB3 GLU A 66 19.573 11.387 12.885 1.00 0.00 H new ATOM 0 HG2 GLU A 66 21.374 10.379 11.346 1.00 0.00 H new ATOM 0 HG3 GLU A 66 21.175 11.788 10.323 1.00 0.00 H new ATOM 981 N ASN A 67 16.435 11.641 10.815 1.00 0.00 N ATOM 982 CA ASN A 67 15.073 12.019 11.198 1.00 0.00 C ATOM 983 C ASN A 67 14.011 11.038 10.675 1.00 0.00 C ATOM 984 O ASN A 67 12.856 11.137 11.093 1.00 0.00 O ATOM 985 CB ASN A 67 14.762 13.478 10.802 1.00 0.00 C ATOM 986 CG ASN A 67 13.927 13.604 9.530 1.00 0.00 C ATOM 987 OD1 ASN A 67 12.739 13.910 9.575 1.00 0.00 O ATOM 988 ND2 ASN A 67 14.515 13.366 8.374 1.00 0.00 N ATOM 0 H ASN A 67 16.734 12.027 9.920 1.00 0.00 H new ATOM 0 HA ASN A 67 15.025 11.957 12.285 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.233 13.963 11.623 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.700 14.016 10.665 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.982 13.436 7.507 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.503 13.112 8.347 1.00 0.00 H new ATOM 995 N PHE A 68 14.366 10.094 9.795 1.00 0.00 N ATOM 996 CA PHE A 68 13.471 9.059 9.306 1.00 0.00 C ATOM 997 C PHE A 68 13.708 7.751 10.072 1.00 0.00 C ATOM 998 O PHE A 68 14.501 7.682 11.015 1.00 0.00 O ATOM 999 CB PHE A 68 13.711 8.859 7.803 1.00 0.00 C ATOM 1000 CG PHE A 68 13.442 10.086 6.960 1.00 0.00 C ATOM 1001 CD1 PHE A 68 12.114 10.452 6.680 1.00 0.00 C ATOM 1002 CD2 PHE A 68 14.504 10.868 6.468 1.00 0.00 C ATOM 1003 CE1 PHE A 68 11.847 11.628 5.958 1.00 0.00 C ATOM 1004 CE2 PHE A 68 14.236 12.021 5.708 1.00 0.00 C ATOM 1005 CZ PHE A 68 12.907 12.413 5.469 1.00 0.00 C ATOM 0 H PHE A 68 15.304 10.034 9.400 1.00 0.00 H new ATOM 0 HA PHE A 68 12.436 9.361 9.466 1.00 0.00 H new ATOM 0 HB2 PHE A 68 14.744 8.547 7.650 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.077 8.045 7.451 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.299 9.830 7.020 1.00 0.00 H new ATOM 0 HD2 PHE A 68 15.525 10.583 6.674 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.826 11.930 5.778 1.00 0.00 H new ATOM 0 HE2 PHE A 68 15.051 12.605 5.308 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.700 13.315 4.911 1.00 0.00 H new ATOM 1015 N ASN A 69 13.021 6.699 9.628 1.00 0.00 N ATOM 1016 CA ASN A 69 13.126 5.327 10.099 1.00 0.00 C ATOM 1017 C ASN A 69 13.005 4.426 8.874 1.00 0.00 C ATOM 1018 O ASN A 69 12.055 4.554 8.101 1.00 0.00 O ATOM 1019 CB ASN A 69 12.039 4.992 11.147 1.00 0.00 C ATOM 1020 CG ASN A 69 10.657 5.623 10.935 1.00 0.00 C ATOM 1021 OD1 ASN A 69 10.023 6.060 11.891 1.00 0.00 O ATOM 1022 ND2 ASN A 69 10.158 5.716 9.712 1.00 0.00 N ATOM 0 H ASN A 69 12.333 6.793 8.881 1.00 0.00 H new ATOM 0 HA ASN A 69 14.081 5.175 10.601 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.917 3.909 11.176 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.406 5.298 12.127 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.247 6.151 9.565 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.685 5.353 8.917 1.00 0.00 H new ATOM 1029 N ALA A 70 13.954 3.507 8.707 1.00 0.00 N ATOM 1030 CA ALA A 70 14.017 2.600 7.565 1.00 0.00 C ATOM 1031 C ALA A 70 12.771 1.724 7.462 1.00 0.00 C ATOM 1032 O ALA A 70 12.416 1.310 6.365 1.00 0.00 O ATOM 1033 CB ALA A 70 15.250 1.698 7.675 1.00 0.00 C ATOM 0 H ALA A 70 14.714 3.370 9.374 1.00 0.00 H new ATOM 0 HA ALA A 70 14.079 3.217 6.669 1.00 0.00 H new ATOM 0 HB1 ALA A 70 15.287 1.026 6.818 1.00 0.00 H new ATOM 0 HB2 ALA A 70 16.150 2.313 7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.192 1.113 8.593 1.00 0.00 H new ATOM 1039 N ASP A 71 12.106 1.454 8.589 1.00 0.00 N ATOM 1040 CA ASP A 71 10.949 0.565 8.668 1.00 0.00 C ATOM 1041 C ASP A 71 9.781 1.039 7.799 1.00 0.00 C ATOM 1042 O ASP A 71 8.944 0.232 7.393 1.00 0.00 O ATOM 1043 CB ASP A 71 10.502 0.443 10.130 1.00 0.00 C ATOM 1044 CG ASP A 71 9.288 -0.488 10.283 1.00 0.00 C ATOM 1045 OD1 ASP A 71 9.440 -1.720 10.119 1.00 0.00 O ATOM 1046 OD2 ASP A 71 8.185 -0.002 10.623 1.00 0.00 O ATOM 0 H ASP A 71 12.364 1.857 9.490 1.00 0.00 H new ATOM 0 HA ASP A 71 11.254 -0.408 8.283 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.328 0.064 10.732 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.253 1.431 10.517 1.00 0.00 H new ATOM 1051 N ASP A 72 9.724 2.339 7.489 1.00 0.00 N ATOM 1052 CA ASP A 72 8.654 2.919 6.700 1.00 0.00 C ATOM 1053 C ASP A 72 8.937 2.765 5.209 1.00 0.00 C ATOM 1054 O ASP A 72 8.016 2.874 4.409 1.00 0.00 O ATOM 1055 CB ASP A 72 8.456 4.391 7.077 1.00 0.00 C ATOM 1056 CG ASP A 72 7.203 4.999 6.428 1.00 0.00 C ATOM 1057 OD1 ASP A 72 6.096 4.434 6.581 1.00 0.00 O ATOM 1058 OD2 ASP A 72 7.291 6.097 5.834 1.00 0.00 O ATOM 0 H ASP A 72 10.428 3.015 7.785 1.00 0.00 H new ATOM 0 HA ASP A 72 7.730 2.384 6.918 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.379 4.478 8.161 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.333 4.962 6.773 1.00 0.00 H new ATOM 1063 N TYR A 73 10.182 2.470 4.820 1.00 0.00 N ATOM 1064 CA TYR A 73 10.645 2.440 3.453 1.00 0.00 C ATOM 1065 C TYR A 73 10.891 0.990 3.063 1.00 0.00 C ATOM 1066 O TYR A 73 11.771 0.333 3.617 1.00 0.00 O ATOM 1067 CB TYR A 73 11.868 3.351 3.301 1.00 0.00 C ATOM 1068 CG TYR A 73 11.540 4.798 3.630 1.00 0.00 C ATOM 1069 CD1 TYR A 73 10.881 5.593 2.676 1.00 0.00 C ATOM 1070 CD2 TYR A 73 11.828 5.328 4.904 1.00 0.00 C ATOM 1071 CE1 TYR A 73 10.491 6.901 2.996 1.00 0.00 C ATOM 1072 CE2 TYR A 73 11.461 6.648 5.233 1.00 0.00 C ATOM 1073 CZ TYR A 73 10.772 7.435 4.275 1.00 0.00 C ATOM 1074 OH TYR A 73 10.399 8.709 4.572 1.00 0.00 O ATOM 0 H TYR A 73 10.917 2.237 5.488 1.00 0.00 H new ATOM 0 HA TYR A 73 9.899 2.834 2.763 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.665 3.001 3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.244 3.287 2.280 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.675 5.195 1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.335 4.716 5.635 1.00 0.00 H new ATOM 0 HE1 TYR A 73 9.974 7.503 2.263 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.702 7.056 6.204 1.00 0.00 H new ATOM 0 HH TYR A 73 11.016 9.084 5.235 1.00 0.00 H new ATOM 1084 N ASP A 74 10.086 0.463 2.136 1.00 0.00 N ATOM 1085 CA ASP A 74 10.202 -0.940 1.754 1.00 0.00 C ATOM 1086 C ASP A 74 11.417 -1.127 0.842 1.00 0.00 C ATOM 1087 O ASP A 74 11.983 -2.216 0.745 1.00 0.00 O ATOM 1088 CB ASP A 74 8.911 -1.447 1.106 1.00 0.00 C ATOM 1089 CG ASP A 74 8.846 -2.980 1.217 1.00 0.00 C ATOM 1090 OD1 ASP A 74 8.584 -3.486 2.332 1.00 0.00 O ATOM 1091 OD2 ASP A 74 8.990 -3.678 0.192 1.00 0.00 O ATOM 0 H ASP A 74 9.358 0.981 1.644 1.00 0.00 H new ATOM 0 HA ASP A 74 10.355 -1.542 2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.046 -1.000 1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.875 -1.146 0.059 1.00 0.00 H new ATOM 1096 N VAL A 75 11.849 -0.031 0.213 1.00 0.00 N ATOM 1097 CA VAL A 75 12.872 0.010 -0.815 1.00 0.00 C ATOM 1098 C VAL A 75 13.815 1.160 -0.469 1.00 0.00 C ATOM 1099 O VAL A 75 13.366 2.260 -0.133 1.00 0.00 O ATOM 1100 CB VAL A 75 12.173 0.224 -2.175 1.00 0.00 C ATOM 1101 CG1 VAL A 75 13.169 0.331 -3.337 1.00 0.00 C ATOM 1102 CG2 VAL A 75 11.110 -0.852 -2.459 1.00 0.00 C ATOM 0 H VAL A 75 11.471 0.893 0.423 1.00 0.00 H new ATOM 0 HA VAL A 75 13.449 -0.913 -0.873 1.00 0.00 H new ATOM 0 HB VAL A 75 11.660 1.183 -2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.625 0.481 -4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.837 1.175 -3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.753 -0.587 -3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.646 -0.659 -3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.581 -1.835 -2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.348 -0.826 -1.680 1.00 0.00 H new ATOM 1112 N VAL A 76 15.121 0.921 -0.558 1.00 0.00 N ATOM 1113 CA VAL A 76 16.118 1.919 -0.191 1.00 0.00 C ATOM 1114 C VAL A 76 17.242 1.930 -1.226 1.00 0.00 C ATOM 1115 O VAL A 76 17.942 0.946 -1.467 1.00 0.00 O ATOM 1116 CB VAL A 76 16.551 1.750 1.284 1.00 0.00 C ATOM 1117 CG1 VAL A 76 16.597 0.299 1.779 1.00 0.00 C ATOM 1118 CG2 VAL A 76 17.855 2.493 1.600 1.00 0.00 C ATOM 0 H VAL A 76 15.514 0.038 -0.884 1.00 0.00 H new ATOM 0 HA VAL A 76 15.695 2.923 -0.222 1.00 0.00 H new ATOM 0 HB VAL A 76 15.749 2.221 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.911 0.280 2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.607 -0.147 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.306 -0.269 1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 76 18.115 2.342 2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 76 18.656 2.108 0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 76 17.723 3.558 1.409 1.00 0.00 H new ATOM 1128 N ILE A 77 17.402 3.086 -1.854 1.00 0.00 N ATOM 1129 CA ILE A 77 18.363 3.327 -2.899 1.00 0.00 C ATOM 1130 C ILE A 77 19.370 4.300 -2.333 1.00 0.00 C ATOM 1131 O ILE A 77 19.152 5.511 -2.301 1.00 0.00 O ATOM 1132 CB ILE A 77 17.650 3.852 -4.157 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.660 2.825 -4.747 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.672 4.282 -5.214 1.00 0.00 C ATOM 1135 CD1 ILE A 77 17.231 1.429 -5.026 1.00 0.00 C ATOM 0 H ILE A 77 16.840 3.908 -1.634 1.00 0.00 H new ATOM 0 HA ILE A 77 18.878 2.419 -3.213 1.00 0.00 H new ATOM 0 HB ILE A 77 17.065 4.720 -3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.820 2.722 -4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.262 3.227 -5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.149 4.651 -6.097 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.303 5.073 -4.809 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.292 3.429 -5.489 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.449 0.792 -5.438 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.050 1.507 -5.741 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.601 0.995 -4.097 1.00 0.00 H new ATOM 1147 N SER A 78 20.452 3.764 -1.798 1.00 0.00 N ATOM 1148 CA SER A 78 21.557 4.632 -1.485 1.00 0.00 C ATOM 1149 C SER A 78 22.196 5.037 -2.821 1.00 0.00 C ATOM 1150 O SER A 78 21.995 4.412 -3.870 1.00 0.00 O ATOM 1151 CB SER A 78 22.514 3.957 -0.516 1.00 0.00 C ATOM 1152 OG SER A 78 21.844 3.811 0.719 1.00 0.00 O ATOM 0 H SER A 78 20.583 2.776 -1.581 1.00 0.00 H new ATOM 0 HA SER A 78 21.236 5.535 -0.966 1.00 0.00 H new ATOM 0 HB2 SER A 78 22.824 2.985 -0.900 1.00 0.00 H new ATOM 0 HB3 SER A 78 23.417 4.554 -0.393 1.00 0.00 H new ATOM 0 HG SER A 78 22.479 3.510 1.402 1.00 0.00 H new ATOM 1158 N LEU A 79 22.899 6.157 -2.804 1.00 0.00 N ATOM 1159 CA LEU A 79 23.618 6.738 -3.921 1.00 0.00 C ATOM 1160 C LEU A 79 24.740 7.567 -3.297 1.00 0.00 C ATOM 1161 O LEU A 79 24.886 8.765 -3.532 1.00 0.00 O ATOM 1162 CB LEU A 79 22.700 7.475 -4.937 1.00 0.00 C ATOM 1163 CG LEU A 79 21.215 7.711 -4.574 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.102 8.890 -3.627 1.00 0.00 C ATOM 1165 CD2 LEU A 79 20.367 7.990 -5.820 1.00 0.00 C ATOM 0 H LEU A 79 22.987 6.718 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 79 24.053 5.978 -4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.148 8.448 -5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 79 22.725 6.913 -5.871 1.00 0.00 H new ATOM 0 HG LEU A 79 20.842 6.804 -4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.055 9.054 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.667 8.682 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.503 9.782 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.330 8.151 -5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.743 8.880 -6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.424 7.138 -6.497 1.00 0.00 H new ATOM 1177 N CYS A 80 25.482 6.928 -2.390 1.00 0.00 N ATOM 1178 CA CYS A 80 26.695 7.463 -1.797 1.00 0.00 C ATOM 1179 C CYS A 80 27.817 7.412 -2.834 1.00 0.00 C ATOM 1180 O CYS A 80 28.567 8.379 -2.972 1.00 0.00 O ATOM 1181 CB CYS A 80 27.034 6.642 -0.552 1.00 0.00 C ATOM 1182 SG CYS A 80 25.709 6.833 0.678 1.00 0.00 S ATOM 0 H CYS A 80 25.243 5.999 -2.043 1.00 0.00 H new ATOM 0 HA CYS A 80 26.562 8.502 -1.495 1.00 0.00 H new ATOM 0 HB2 CYS A 80 27.150 5.591 -0.817 1.00 0.00 H new ATOM 0 HB3 CYS A 80 27.984 6.972 -0.133 1.00 0.00 H new ATOM 0 HG CYS A 80 25.884 5.978 1.641 1.00 0.00 H new ATOM 1188 N GLY A 81 27.912 6.314 -3.586 1.00 0.00 N ATOM 1189 CA GLY A 81 28.760 6.193 -4.766 1.00 0.00 C ATOM 1190 C GLY A 81 29.628 4.946 -4.743 1.00 0.00 C ATOM 1191 O GLY A 81 29.562 4.128 -5.660 1.00 0.00 O ATOM 0 H GLY A 81 27.386 5.464 -3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.133 6.177 -5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 81 29.399 7.073 -4.840 1.00 0.00 H new ATOM 1195 N CYS A 82 30.438 4.780 -3.696 1.00 0.00 N ATOM 1196 CA CYS A 82 31.484 3.756 -3.636 1.00 0.00 C ATOM 1197 C CYS A 82 30.965 2.355 -3.276 1.00 0.00 C ATOM 1198 O CYS A 82 31.671 1.571 -2.637 1.00 0.00 O ATOM 1199 CB CYS A 82 32.609 4.221 -2.693 1.00 0.00 C ATOM 1200 SG CYS A 82 33.182 5.892 -3.131 1.00 0.00 S ATOM 0 H CYS A 82 30.386 5.358 -2.857 1.00 0.00 H new ATOM 0 HA CYS A 82 31.885 3.644 -4.643 1.00 0.00 H new ATOM 0 HB2 CYS A 82 32.251 4.214 -1.664 1.00 0.00 H new ATOM 0 HB3 CYS A 82 33.444 3.522 -2.745 1.00 0.00 H new ATOM 0 HG CYS A 82 34.128 6.254 -2.316 1.00 0.00 H new ATOM 1206 N GLY A 83 29.723 2.047 -3.649 1.00 0.00 N ATOM 1207 CA GLY A 83 29.017 0.844 -3.230 1.00 0.00 C ATOM 1208 C GLY A 83 28.887 0.791 -1.705 1.00 0.00 C ATOM 1209 O GLY A 83 28.974 -0.288 -1.116 1.00 0.00 O ATOM 0 H GLY A 83 29.170 2.643 -4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 83 28.027 0.822 -3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 83 29.550 -0.038 -3.585 1.00 0.00 H new ATOM 1213 N VAL A 84 28.774 1.958 -1.064 1.00 0.00 N ATOM 1214 CA VAL A 84 28.757 2.108 0.379 1.00 0.00 C ATOM 1215 C VAL A 84 27.529 1.395 0.932 1.00 0.00 C ATOM 1216 O VAL A 84 26.446 1.417 0.344 1.00 0.00 O ATOM 1217 CB VAL A 84 28.853 3.588 0.794 1.00 0.00 C ATOM 1218 CG1 VAL A 84 29.067 3.760 2.306 1.00 0.00 C ATOM 1219 CG2 VAL A 84 29.993 4.316 0.060 1.00 0.00 C ATOM 0 H VAL A 84 28.690 2.847 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 84 29.639 1.638 0.815 1.00 0.00 H new ATOM 0 HB VAL A 84 27.895 4.028 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 84 29.128 4.821 2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 84 28.231 3.313 2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 84 29.994 3.267 2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 84 30.026 5.357 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 84 30.942 3.834 0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 84 29.819 4.274 -1.015 1.00 0.00 H new ATOM 1229 N ASN A 85 27.726 0.753 2.080 1.00 0.00 N ATOM 1230 CA ASN A 85 26.749 -0.122 2.699 1.00 0.00 C ATOM 1231 C ASN A 85 26.486 0.377 4.109 1.00 0.00 C ATOM 1232 O ASN A 85 27.345 0.277 4.985 1.00 0.00 O ATOM 1233 CB ASN A 85 27.248 -1.573 2.669 1.00 0.00 C ATOM 1234 CG ASN A 85 26.096 -2.518 2.961 1.00 0.00 C ATOM 1235 OD1 ASN A 85 25.972 -3.070 4.049 1.00 0.00 O ATOM 1236 ND2 ASN A 85 25.223 -2.692 1.983 1.00 0.00 N ATOM 0 H ASN A 85 28.591 0.832 2.614 1.00 0.00 H new ATOM 0 HA ASN A 85 25.808 -0.107 2.149 1.00 0.00 H new ATOM 0 HB2 ASN A 85 27.678 -1.799 1.693 1.00 0.00 H new ATOM 0 HB3 ASN A 85 28.039 -1.711 3.406 1.00 0.00 H new ATOM 0 HD21 ASN A 85 24.416 -3.301 2.122 1.00 0.00 H new ATOM 0 HD22 ASN A 85 25.356 -2.217 1.090 1.00 0.00 H new ATOM 1243 N LEU A 86 25.325 1.008 4.275 1.00 0.00 N ATOM 1244 CA LEU A 86 24.913 1.718 5.482 1.00 0.00 C ATOM 1245 C LEU A 86 24.924 0.733 6.659 1.00 0.00 C ATOM 1246 O LEU A 86 24.226 -0.276 6.590 1.00 0.00 O ATOM 1247 CB LEU A 86 23.548 2.402 5.242 1.00 0.00 C ATOM 1248 CG LEU A 86 23.432 3.243 3.944 1.00 0.00 C ATOM 1249 CD1 LEU A 86 22.200 4.145 4.052 1.00 0.00 C ATOM 1250 CD2 LEU A 86 24.674 4.097 3.648 1.00 0.00 C ATOM 0 H LEU A 86 24.617 1.039 3.541 1.00 0.00 H new ATOM 0 HA LEU A 86 25.607 2.520 5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.776 1.633 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.333 3.049 6.092 1.00 0.00 H new ATOM 0 HG LEU A 86 23.341 2.543 3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 86 22.106 4.743 3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.309 3.530 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 86 22.307 4.806 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 86 24.519 4.657 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 86 24.842 4.792 4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 86 25.543 3.449 3.537 1.00 0.00 H new ATOM 1262 N PRO A 87 25.700 0.986 7.732 1.00 0.00 N ATOM 1263 CA PRO A 87 25.599 0.221 8.967 1.00 0.00 C ATOM 1264 C PRO A 87 24.162 0.049 9.502 1.00 0.00 C ATOM 1265 O PRO A 87 23.872 -1.046 9.994 1.00 0.00 O ATOM 1266 CB PRO A 87 26.499 0.934 9.983 1.00 0.00 C ATOM 1267 CG PRO A 87 27.527 1.645 9.107 1.00 0.00 C ATOM 1268 CD PRO A 87 26.721 2.017 7.865 1.00 0.00 C ATOM 0 HA PRO A 87 25.920 -0.804 8.779 1.00 0.00 H new ATOM 0 HB2 PRO A 87 25.935 1.639 10.594 1.00 0.00 H new ATOM 0 HB3 PRO A 87 26.972 0.228 10.666 1.00 0.00 H new ATOM 0 HG2 PRO A 87 27.938 2.526 9.601 1.00 0.00 H new ATOM 0 HG3 PRO A 87 28.368 0.995 8.863 1.00 0.00 H new ATOM 0 HD2 PRO A 87 26.269 3.003 7.973 1.00 0.00 H new ATOM 0 HD3 PRO A 87 27.358 2.053 6.981 1.00 0.00 H new ATOM 1276 N PRO A 88 23.262 1.061 9.459 1.00 0.00 N ATOM 1277 CA PRO A 88 21.920 0.899 10.020 1.00 0.00 C ATOM 1278 C PRO A 88 21.003 0.023 9.149 1.00 0.00 C ATOM 1279 O PRO A 88 21.329 -0.325 8.018 1.00 0.00 O ATOM 1280 CB PRO A 88 21.389 2.326 10.193 1.00 0.00 C ATOM 1281 CG PRO A 88 22.089 3.093 9.073 1.00 0.00 C ATOM 1282 CD PRO A 88 23.465 2.461 9.060 1.00 0.00 C ATOM 0 HA PRO A 88 21.949 0.363 10.969 1.00 0.00 H new ATOM 0 HB2 PRO A 88 20.304 2.368 10.093 1.00 0.00 H new ATOM 0 HB3 PRO A 88 21.635 2.732 11.174 1.00 0.00 H new ATOM 0 HG2 PRO A 88 21.578 2.974 8.118 1.00 0.00 H new ATOM 0 HG3 PRO A 88 22.135 4.162 9.279 1.00 0.00 H new ATOM 0 HD2 PRO A 88 23.916 2.525 8.070 1.00 0.00 H new ATOM 0 HD3 PRO A 88 24.137 2.971 9.750 1.00 0.00 H new ATOM 1290 N GLU A 89 19.807 -0.279 9.664 1.00 0.00 N ATOM 1291 CA GLU A 89 18.747 -1.139 9.114 1.00 0.00 C ATOM 1292 C GLU A 89 18.261 -0.784 7.701 1.00 0.00 C ATOM 1293 O GLU A 89 17.481 -1.504 7.076 1.00 0.00 O ATOM 1294 CB GLU A 89 17.555 -1.154 10.078 1.00 0.00 C ATOM 1295 CG GLU A 89 17.034 0.222 10.536 1.00 0.00 C ATOM 1296 CD GLU A 89 17.587 0.641 11.913 1.00 0.00 C ATOM 1297 OE1 GLU A 89 18.812 0.855 12.040 1.00 0.00 O ATOM 1298 OE2 GLU A 89 16.796 0.763 12.876 1.00 0.00 O ATOM 0 H GLU A 89 19.527 0.109 10.565 1.00 0.00 H new ATOM 0 HA GLU A 89 19.204 -2.124 9.013 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.735 -1.689 9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 89 17.837 -1.726 10.962 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.307 0.974 9.796 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.945 0.198 10.579 1.00 0.00 H new ATOM 1305 N TRP A 90 18.734 0.331 7.178 1.00 0.00 N ATOM 1306 CA TRP A 90 18.594 0.752 5.797 1.00 0.00 C ATOM 1307 C TRP A 90 19.264 -0.228 4.814 1.00 0.00 C ATOM 1308 O TRP A 90 19.189 0.007 3.613 1.00 0.00 O ATOM 1309 CB TRP A 90 19.153 2.170 5.644 1.00 0.00 C ATOM 1310 CG TRP A 90 18.463 3.225 6.454 1.00 0.00 C ATOM 1311 CD1 TRP A 90 18.818 3.598 7.698 1.00 0.00 C ATOM 1312 CD2 TRP A 90 17.298 4.046 6.129 1.00 0.00 C ATOM 1313 NE1 TRP A 90 18.029 4.626 8.143 1.00 0.00 N ATOM 1314 CE2 TRP A 90 17.046 4.933 7.224 1.00 0.00 C ATOM 1315 CE3 TRP A 90 16.409 4.107 5.036 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 15.986 5.851 7.215 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.330 5.010 5.027 1.00 0.00 C ATOM 1318 CH2 TRP A 90 15.125 5.887 6.106 1.00 0.00 C ATOM 0 H TRP A 90 19.256 1.006 7.737 1.00 0.00 H new ATOM 0 HA TRP A 90 17.534 0.752 5.543 1.00 0.00 H new ATOM 0 HB2 TRP A 90 20.208 2.158 5.918 1.00 0.00 H new ATOM 0 HB3 TRP A 90 19.100 2.451 4.592 1.00 0.00 H new ATOM 0 HD1 TRP A 90 19.617 3.148 8.268 1.00 0.00 H new ATOM 0 HE1 TRP A 90 18.152 5.102 9.037 1.00 0.00 H new ATOM 0 HE3 TRP A 90 16.559 3.450 4.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.834 6.521 8.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 14.654 5.029 4.185 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.305 6.589 6.082 1.00 0.00 H new ATOM 1329 N VAL A 91 19.886 -1.326 5.269 1.00 0.00 N ATOM 1330 CA VAL A 91 20.372 -2.401 4.417 1.00 0.00 C ATOM 1331 C VAL A 91 19.623 -3.721 4.653 1.00 0.00 C ATOM 1332 O VAL A 91 19.974 -4.731 4.041 1.00 0.00 O ATOM 1333 CB VAL A 91 21.899 -2.537 4.540 1.00 0.00 C ATOM 1334 CG1 VAL A 91 22.599 -1.263 4.053 1.00 0.00 C ATOM 1335 CG2 VAL A 91 22.393 -2.931 5.939 1.00 0.00 C ATOM 0 H VAL A 91 20.065 -1.487 6.260 1.00 0.00 H new ATOM 0 HA VAL A 91 20.156 -2.137 3.382 1.00 0.00 H new ATOM 0 HB VAL A 91 22.169 -3.372 3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 91 23.678 -1.381 4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 91 22.345 -1.085 3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 91 22.272 -0.415 4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 91 23.481 -3.004 5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 91 22.084 -2.175 6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 91 21.966 -3.894 6.218 1.00 0.00 H new ATOM 1345 N THR A 92 18.580 -3.732 5.492 1.00 0.00 N ATOM 1346 CA THR A 92 17.827 -4.935 5.844 1.00 0.00 C ATOM 1347 C THR A 92 16.340 -4.803 5.477 1.00 0.00 C ATOM 1348 O THR A 92 15.483 -5.503 6.020 1.00 0.00 O ATOM 1349 CB THR A 92 18.108 -5.314 7.316 1.00 0.00 C ATOM 1350 OG1 THR A 92 17.892 -4.227 8.195 1.00 0.00 O ATOM 1351 CG2 THR A 92 19.565 -5.743 7.520 1.00 0.00 C ATOM 0 H THR A 92 18.233 -2.890 5.951 1.00 0.00 H new ATOM 0 HA THR A 92 18.171 -5.777 5.244 1.00 0.00 H new ATOM 0 HB THR A 92 17.421 -6.131 7.536 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.619 -3.439 7.680 1.00 0.00 H new ATOM 0 HG21 THR A 92 19.725 -6.002 8.567 1.00 0.00 H new ATOM 0 HG22 THR A 92 19.780 -6.610 6.895 1.00 0.00 H new ATOM 0 HG23 THR A 92 20.228 -4.923 7.244 1.00 0.00 H new ATOM 1359 N GLN A 93 16.038 -3.903 4.537 1.00 0.00 N ATOM 1360 CA GLN A 93 14.720 -3.763 3.922 1.00 0.00 C ATOM 1361 C GLN A 93 14.644 -4.653 2.669 1.00 0.00 C ATOM 1362 O GLN A 93 15.592 -5.377 2.351 1.00 0.00 O ATOM 1363 CB GLN A 93 14.439 -2.283 3.601 1.00 0.00 C ATOM 1364 CG GLN A 93 14.654 -1.323 4.785 1.00 0.00 C ATOM 1365 CD GLN A 93 13.931 -1.771 6.062 1.00 0.00 C ATOM 1366 OE1 GLN A 93 12.740 -2.072 6.069 1.00 0.00 O ATOM 1367 NE2 GLN A 93 14.650 -1.873 7.169 1.00 0.00 N ATOM 0 H GLN A 93 16.721 -3.237 4.176 1.00 0.00 H new ATOM 0 HA GLN A 93 13.947 -4.094 4.616 1.00 0.00 H new ATOM 0 HB2 GLN A 93 15.083 -1.974 2.777 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.410 -2.188 3.254 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.722 -1.241 4.989 1.00 0.00 H new ATOM 0 HG3 GLN A 93 14.305 -0.329 4.507 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.639 -1.622 7.160 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.215 -2.202 8.031 1.00 0.00 H new ATOM 1376 N GLU A 94 13.508 -4.630 1.969 1.00 0.00 N ATOM 1377 CA GLU A 94 13.202 -5.564 0.891 1.00 0.00 C ATOM 1378 C GLU A 94 14.114 -5.390 -0.325 1.00 0.00 C ATOM 1379 O GLU A 94 14.499 -6.383 -0.945 1.00 0.00 O ATOM 1380 CB GLU A 94 11.720 -5.426 0.504 1.00 0.00 C ATOM 1381 CG GLU A 94 10.985 -6.771 0.457 1.00 0.00 C ATOM 1382 CD GLU A 94 11.515 -7.732 -0.623 1.00 0.00 C ATOM 1383 OE1 GLU A 94 11.231 -7.526 -1.824 1.00 0.00 O ATOM 1384 OE2 GLU A 94 12.168 -8.741 -0.270 1.00 0.00 O ATOM 0 H GLU A 94 12.766 -3.951 2.140 1.00 0.00 H new ATOM 0 HA GLU A 94 13.391 -6.573 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.223 -4.771 1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.648 -4.945 -0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.067 -7.253 1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.925 -6.589 0.280 1.00 0.00 H new ATOM 1391 N ILE A 95 14.491 -4.152 -0.651 1.00 0.00 N ATOM 1392 CA ILE A 95 15.350 -3.834 -1.786 1.00 0.00 C ATOM 1393 C ILE A 95 16.407 -2.864 -1.261 1.00 0.00 C ATOM 1394 O ILE A 95 16.055 -1.902 -0.573 1.00 0.00 O ATOM 1395 CB ILE A 95 14.497 -3.260 -2.934 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.589 -4.381 -3.490 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.388 -2.644 -4.039 1.00 0.00 C ATOM 1398 CD1 ILE A 95 12.868 -4.023 -4.785 1.00 0.00 C ATOM 0 H ILE A 95 14.201 -3.330 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 95 15.849 -4.708 -2.204 1.00 0.00 H new ATOM 0 HB ILE A 95 13.871 -2.452 -2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 95 14.194 -5.272 -3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.847 -4.639 -2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 95 14.758 -2.247 -4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.988 -1.839 -3.616 1.00 0.00 H new ATOM 0 HG23 ILE A 95 16.046 -3.412 -4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.254 -4.865 -5.104 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.233 -3.153 -4.619 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.601 -3.795 -5.559 1.00 0.00 H new ATOM 1410 N PHE A 96 17.676 -3.090 -1.616 1.00 0.00 N ATOM 1411 CA PHE A 96 18.774 -2.191 -1.337 1.00 0.00 C ATOM 1412 C PHE A 96 19.718 -2.180 -2.535 1.00 0.00 C ATOM 1413 O PHE A 96 20.054 -3.239 -3.071 1.00 0.00 O ATOM 1414 CB PHE A 96 19.556 -2.588 -0.074 1.00 0.00 C ATOM 1415 CG PHE A 96 20.754 -1.672 0.131 1.00 0.00 C ATOM 1416 CD1 PHE A 96 22.003 -1.985 -0.451 1.00 0.00 C ATOM 1417 CD2 PHE A 96 20.571 -0.417 0.740 1.00 0.00 C ATOM 1418 CE1 PHE A 96 23.044 -1.037 -0.456 1.00 0.00 C ATOM 1419 CE2 PHE A 96 21.634 0.499 0.793 1.00 0.00 C ATOM 1420 CZ PHE A 96 22.867 0.196 0.193 1.00 0.00 C ATOM 0 H PHE A 96 17.964 -3.930 -2.119 1.00 0.00 H new ATOM 0 HA PHE A 96 18.356 -1.200 -1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 96 18.901 -2.537 0.796 1.00 0.00 H new ATOM 0 HB3 PHE A 96 19.893 -3.621 -0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.160 -2.957 -0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.613 -0.158 1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 96 23.975 -1.257 -0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 96 21.502 1.444 1.299 1.00 0.00 H new ATOM 0 HZ PHE A 96 23.677 0.909 0.230 1.00 0.00 H new ATOM 1430 N GLU A 97 20.173 -0.989 -2.909 1.00 0.00 N ATOM 1431 CA GLU A 97 21.252 -0.748 -3.857 1.00 0.00 C ATOM 1432 C GLU A 97 21.993 0.513 -3.407 1.00 0.00 C ATOM 1433 O GLU A 97 21.423 1.342 -2.701 1.00 0.00 O ATOM 1434 CB GLU A 97 20.719 -0.517 -5.280 1.00 0.00 C ATOM 1435 CG GLU A 97 20.354 -1.812 -6.004 1.00 0.00 C ATOM 1436 CD GLU A 97 20.003 -1.564 -7.483 1.00 0.00 C ATOM 1437 OE1 GLU A 97 19.151 -0.695 -7.778 1.00 0.00 O ATOM 1438 OE2 GLU A 97 20.574 -2.251 -8.362 1.00 0.00 O ATOM 0 H GLU A 97 19.779 -0.123 -2.540 1.00 0.00 H new ATOM 0 HA GLU A 97 21.904 -1.622 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 97 19.839 0.125 -5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 97 21.471 0.017 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 97 21.188 -2.511 -5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.507 -2.281 -5.504 1.00 0.00 H new ATOM 1445 N ASP A 98 23.235 0.672 -3.867 1.00 0.00 N ATOM 1446 CA ASP A 98 24.029 1.899 -3.749 1.00 0.00 C ATOM 1447 C ASP A 98 24.486 2.334 -5.143 1.00 0.00 C ATOM 1448 O ASP A 98 25.472 1.812 -5.667 1.00 0.00 O ATOM 1449 CB ASP A 98 25.208 1.816 -2.772 1.00 0.00 C ATOM 1450 CG ASP A 98 25.873 3.206 -2.645 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.178 4.151 -2.217 1.00 0.00 O ATOM 1452 OD2 ASP A 98 27.071 3.377 -2.970 1.00 0.00 O ATOM 0 H ASP A 98 23.734 -0.075 -4.349 1.00 0.00 H new ATOM 0 HA ASP A 98 23.376 2.652 -3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 98 24.862 1.477 -1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 98 25.935 1.084 -3.124 1.00 0.00 H new ATOM 1457 N TRP A 99 23.704 3.198 -5.797 1.00 0.00 N ATOM 1458 CA TRP A 99 23.958 3.649 -7.163 1.00 0.00 C ATOM 1459 C TRP A 99 25.244 4.480 -7.234 1.00 0.00 C ATOM 1460 O TRP A 99 25.542 5.282 -6.347 1.00 0.00 O ATOM 1461 CB TRP A 99 22.738 4.380 -7.743 1.00 0.00 C ATOM 1462 CG TRP A 99 21.426 3.648 -7.843 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.185 2.334 -7.618 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.136 4.209 -8.235 1.00 0.00 C ATOM 1465 NE1 TRP A 99 19.857 2.045 -7.866 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.146 3.177 -8.209 1.00 0.00 C ATOM 1467 CE3 TRP A 99 19.713 5.506 -8.592 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.789 3.436 -8.480 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.359 5.783 -8.848 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.405 4.754 -8.781 1.00 0.00 C ATOM 0 H TRP A 99 22.866 3.608 -5.384 1.00 0.00 H new ATOM 0 HA TRP A 99 24.117 2.774 -7.793 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.572 5.272 -7.139 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.003 4.718 -8.745 1.00 0.00 H new ATOM 0 HD1 TRP A 99 21.924 1.617 -7.292 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.452 1.111 -7.803 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.441 6.300 -8.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.060 2.640 -8.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.052 6.788 -9.097 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.364 4.978 -8.963 1.00 0.00 H new ATOM 1481 N GLN A 100 25.997 4.287 -8.320 1.00 0.00 N ATOM 1482 CA GLN A 100 27.341 4.809 -8.502 1.00 0.00 C ATOM 1483 C GLN A 100 27.278 5.886 -9.582 1.00 0.00 C ATOM 1484 O GLN A 100 27.330 5.596 -10.779 1.00 0.00 O ATOM 1485 CB GLN A 100 28.295 3.644 -8.806 1.00 0.00 C ATOM 1486 CG GLN A 100 29.758 4.097 -8.944 1.00 0.00 C ATOM 1487 CD GLN A 100 30.716 2.918 -8.776 1.00 0.00 C ATOM 1488 OE1 GLN A 100 31.278 2.398 -9.739 1.00 0.00 O ATOM 1489 NE2 GLN A 100 30.911 2.464 -7.548 1.00 0.00 N ATOM 0 H GLN A 100 25.671 3.744 -9.120 1.00 0.00 H new ATOM 0 HA GLN A 100 27.738 5.283 -7.604 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.222 2.903 -8.010 1.00 0.00 H new ATOM 0 HB3 GLN A 100 27.982 3.154 -9.728 1.00 0.00 H new ATOM 0 HG2 GLN A 100 29.909 4.556 -9.921 1.00 0.00 H new ATOM 0 HG3 GLN A 100 29.979 4.859 -8.196 1.00 0.00 H new ATOM 0 HE21 GLN A 100 30.438 2.906 -6.760 1.00 0.00 H new ATOM 0 HE22 GLN A 100 31.534 1.672 -7.390 1.00 0.00 H new ATOM 1498 N LEU A 101 27.087 7.128 -9.137 1.00 0.00 N ATOM 1499 CA LEU A 101 26.803 8.292 -9.964 1.00 0.00 C ATOM 1500 C LEU A 101 27.735 9.429 -9.562 1.00 0.00 C ATOM 1501 O LEU A 101 28.079 9.557 -8.383 1.00 0.00 O ATOM 1502 CB LEU A 101 25.349 8.736 -9.720 1.00 0.00 C ATOM 1503 CG LEU A 101 24.242 8.094 -10.567 1.00 0.00 C ATOM 1504 CD1 LEU A 101 24.545 8.002 -12.064 1.00 0.00 C ATOM 1505 CD2 LEU A 101 23.839 6.718 -10.055 1.00 0.00 C ATOM 0 H LEU A 101 27.129 7.356 -8.144 1.00 0.00 H new ATOM 0 HA LEU A 101 26.949 8.043 -11.015 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.116 8.550 -8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 101 25.301 9.814 -9.871 1.00 0.00 H new ATOM 0 HG LEU A 101 23.409 8.788 -10.452 1.00 0.00 H new ATOM 0 HD11 LEU A 101 23.705 7.535 -12.577 1.00 0.00 H new ATOM 0 HD12 LEU A 101 24.704 9.003 -12.465 1.00 0.00 H new ATOM 0 HD13 LEU A 101 25.442 7.403 -12.217 1.00 0.00 H new ATOM 0 HD21 LEU A 101 23.053 6.309 -10.690 1.00 0.00 H new ATOM 0 HD22 LEU A 101 24.704 6.055 -10.075 1.00 0.00 H new ATOM 0 HD23 LEU A 101 23.471 6.804 -9.032 1.00 0.00 H new ATOM 1517 N GLU A 102 28.070 10.288 -10.528 1.00 0.00 N ATOM 1518 CA GLU A 102 29.064 11.353 -10.433 1.00 0.00 C ATOM 1519 C GLU A 102 28.485 12.623 -9.822 1.00 0.00 C ATOM 1520 O GLU A 102 28.502 13.695 -10.420 1.00 0.00 O ATOM 1521 CB GLU A 102 29.746 11.589 -11.794 1.00 0.00 C ATOM 1522 CG GLU A 102 30.610 10.397 -12.219 1.00 0.00 C ATOM 1523 CD GLU A 102 31.873 10.239 -11.352 1.00 0.00 C ATOM 1524 OE1 GLU A 102 32.888 10.925 -11.615 1.00 0.00 O ATOM 1525 OE2 GLU A 102 31.876 9.411 -10.414 1.00 0.00 O ATOM 0 H GLU A 102 27.629 10.255 -11.447 1.00 0.00 H new ATOM 0 HA GLU A 102 29.843 11.029 -9.743 1.00 0.00 H new ATOM 0 HB2 GLU A 102 28.986 11.774 -12.553 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.366 12.484 -11.738 1.00 0.00 H new ATOM 0 HG2 GLU A 102 30.017 9.484 -12.160 1.00 0.00 H new ATOM 0 HG3 GLU A 102 30.903 10.519 -13.262 1.00 0.00 H new ATOM 1532 N ASP A 103 27.955 12.426 -8.617 1.00 0.00 N ATOM 1533 CA ASP A 103 27.489 13.398 -7.625 1.00 0.00 C ATOM 1534 C ASP A 103 27.511 14.858 -8.120 1.00 0.00 C ATOM 1535 O ASP A 103 28.496 15.567 -7.895 1.00 0.00 O ATOM 1536 CB ASP A 103 28.337 13.203 -6.367 1.00 0.00 C ATOM 1537 CG ASP A 103 27.744 13.901 -5.143 1.00 0.00 C ATOM 1538 OD1 ASP A 103 26.498 13.932 -5.016 1.00 0.00 O ATOM 1539 OD2 ASP A 103 28.532 14.319 -4.267 1.00 0.00 O ATOM 0 H ASP A 103 27.826 11.475 -8.272 1.00 0.00 H new ATOM 0 HA ASP A 103 26.435 13.213 -7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.434 12.137 -6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.341 13.586 -6.548 1.00 0.00 H new ATOM 1544 N PRO A 104 26.471 15.285 -8.864 1.00 0.00 N ATOM 1545 CA PRO A 104 26.423 16.545 -9.603 1.00 0.00 C ATOM 1546 C PRO A 104 26.696 17.853 -8.846 1.00 0.00 C ATOM 1547 O PRO A 104 26.924 18.869 -9.495 1.00 0.00 O ATOM 1548 CB PRO A 104 25.076 16.572 -10.315 1.00 0.00 C ATOM 1549 CG PRO A 104 24.789 15.095 -10.534 1.00 0.00 C ATOM 1550 CD PRO A 104 25.379 14.430 -9.296 1.00 0.00 C ATOM 0 HA PRO A 104 27.279 16.536 -10.278 1.00 0.00 H new ATOM 0 HB2 PRO A 104 24.306 17.049 -9.709 1.00 0.00 H new ATOM 0 HB3 PRO A 104 25.126 17.120 -11.256 1.00 0.00 H new ATOM 0 HG2 PRO A 104 23.720 14.903 -10.622 1.00 0.00 H new ATOM 0 HG3 PRO A 104 25.255 14.727 -11.448 1.00 0.00 H new ATOM 0 HD2 PRO A 104 24.628 14.330 -8.512 1.00 0.00 H new ATOM 0 HD3 PRO A 104 25.737 13.426 -9.525 1.00 0.00 H new ATOM 1558 N ASP A 105 26.697 17.871 -7.515 1.00 0.00 N ATOM 1559 CA ASP A 105 26.893 19.070 -6.695 1.00 0.00 C ATOM 1560 C ASP A 105 28.268 19.715 -6.940 1.00 0.00 C ATOM 1561 O ASP A 105 29.267 19.362 -6.307 1.00 0.00 O ATOM 1562 CB ASP A 105 26.676 18.707 -5.223 1.00 0.00 C ATOM 1563 CG ASP A 105 26.696 19.897 -4.253 1.00 0.00 C ATOM 1564 OD1 ASP A 105 27.182 21.006 -4.558 1.00 0.00 O ATOM 1565 OD2 ASP A 105 26.195 19.714 -3.123 1.00 0.00 O ATOM 0 H ASP A 105 26.557 17.028 -6.958 1.00 0.00 H new ATOM 0 HA ASP A 105 26.160 19.824 -6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 105 25.718 18.196 -5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 105 27.447 17.998 -4.921 1.00 0.00 H new ATOM 1570 N GLY A 106 28.315 20.638 -7.906 1.00 0.00 N ATOM 1571 CA GLY A 106 29.463 21.470 -8.250 1.00 0.00 C ATOM 1572 C GLY A 106 30.077 21.118 -9.610 1.00 0.00 C ATOM 1573 O GLY A 106 31.148 21.635 -9.934 1.00 0.00 O ATOM 0 H GLY A 106 27.508 20.832 -8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.157 22.516 -8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 106 30.224 21.366 -7.477 1.00 0.00 H new ATOM 1577 N GLN A 107 29.455 20.223 -10.386 1.00 0.00 N ATOM 1578 CA GLN A 107 30.056 19.657 -11.593 1.00 0.00 C ATOM 1579 C GLN A 107 29.743 20.495 -12.840 1.00 0.00 C ATOM 1580 O GLN A 107 29.068 21.526 -12.776 1.00 0.00 O ATOM 1581 CB GLN A 107 29.567 18.215 -11.801 1.00 0.00 C ATOM 1582 CG GLN A 107 29.655 17.304 -10.575 1.00 0.00 C ATOM 1583 CD GLN A 107 31.050 16.875 -10.126 1.00 0.00 C ATOM 1584 OE1 GLN A 107 32.079 17.309 -10.640 1.00 0.00 O ATOM 1585 NE2 GLN A 107 31.097 15.978 -9.155 1.00 0.00 N ATOM 0 H GLN A 107 28.517 19.872 -10.191 1.00 0.00 H new ATOM 0 HA GLN A 107 31.137 19.663 -11.451 1.00 0.00 H new ATOM 0 HB2 GLN A 107 28.530 18.247 -12.134 1.00 0.00 H new ATOM 0 HB3 GLN A 107 30.147 17.766 -12.607 1.00 0.00 H new ATOM 0 HG2 GLN A 107 29.172 17.813 -9.740 1.00 0.00 H new ATOM 0 HG3 GLN A 107 29.074 16.405 -10.779 1.00 0.00 H new ATOM 0 HE21 GLN A 107 30.233 15.629 -8.740 1.00 0.00 H new ATOM 0 HE22 GLN A 107 31.998 15.635 -8.821 1.00 0.00 H new ATOM 1594 N SER A 108 30.232 20.024 -13.987 1.00 0.00 N ATOM 1595 CA SER A 108 29.952 20.578 -15.303 1.00 0.00 C ATOM 1596 C SER A 108 28.576 20.111 -15.783 1.00 0.00 C ATOM 1597 O SER A 108 28.098 19.052 -15.368 1.00 0.00 O ATOM 1598 CB SER A 108 31.038 20.066 -16.255 1.00 0.00 C ATOM 1599 OG SER A 108 32.329 20.451 -15.803 1.00 0.00 O ATOM 0 H SER A 108 30.856 19.218 -14.022 1.00 0.00 H new ATOM 0 HA SER A 108 29.950 21.668 -15.270 1.00 0.00 H new ATOM 0 HB2 SER A 108 30.982 18.980 -16.327 1.00 0.00 H new ATOM 0 HB3 SER A 108 30.866 20.461 -17.256 1.00 0.00 H new ATOM 0 HG SER A 108 33.007 20.113 -16.424 1.00 0.00 H new ATOM 1605 N LEU A 109 27.957 20.857 -16.705 1.00 0.00 N ATOM 1606 CA LEU A 109 26.628 20.529 -17.223 1.00 0.00 C ATOM 1607 C LEU A 109 26.610 19.157 -17.886 1.00 0.00 C ATOM 1608 O LEU A 109 25.611 18.454 -17.785 1.00 0.00 O ATOM 1609 CB LEU A 109 26.132 21.599 -18.211 1.00 0.00 C ATOM 1610 CG LEU A 109 25.714 22.914 -17.527 1.00 0.00 C ATOM 1611 CD1 LEU A 109 25.494 24.001 -18.584 1.00 0.00 C ATOM 1612 CD2 LEU A 109 24.430 22.760 -16.698 1.00 0.00 C ATOM 0 H LEU A 109 28.363 21.701 -17.110 1.00 0.00 H new ATOM 0 HA LEU A 109 25.951 20.506 -16.369 1.00 0.00 H new ATOM 0 HB2 LEU A 109 26.920 21.809 -18.934 1.00 0.00 H new ATOM 0 HB3 LEU A 109 25.284 21.203 -18.769 1.00 0.00 H new ATOM 0 HG LEU A 109 26.521 23.193 -16.850 1.00 0.00 H new ATOM 0 HD11 LEU A 109 25.198 24.929 -18.095 1.00 0.00 H new ATOM 0 HD12 LEU A 109 26.418 24.161 -19.139 1.00 0.00 H new ATOM 0 HD13 LEU A 109 24.708 23.687 -19.271 1.00 0.00 H new ATOM 0 HD21 LEU A 109 24.178 23.715 -16.237 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.613 22.444 -17.347 1.00 0.00 H new ATOM 0 HD23 LEU A 109 24.586 22.012 -15.921 1.00 0.00 H new ATOM 1624 N GLU A 110 27.711 18.742 -18.514 1.00 0.00 N ATOM 1625 CA GLU A 110 27.801 17.413 -19.114 1.00 0.00 C ATOM 1626 C GLU A 110 27.634 16.326 -18.046 1.00 0.00 C ATOM 1627 O GLU A 110 26.933 15.340 -18.280 1.00 0.00 O ATOM 1628 CB GLU A 110 29.135 17.251 -19.859 1.00 0.00 C ATOM 1629 CG GLU A 110 29.217 18.113 -21.128 1.00 0.00 C ATOM 1630 CD GLU A 110 28.258 17.632 -22.235 1.00 0.00 C ATOM 1631 OE1 GLU A 110 28.617 16.702 -22.994 1.00 0.00 O ATOM 1632 OE2 GLU A 110 27.148 18.192 -22.373 1.00 0.00 O ATOM 0 H GLU A 110 28.553 19.309 -18.620 1.00 0.00 H new ATOM 0 HA GLU A 110 26.992 17.303 -19.836 1.00 0.00 H new ATOM 0 HB2 GLU A 110 29.954 17.518 -19.191 1.00 0.00 H new ATOM 0 HB3 GLU A 110 29.271 16.203 -20.128 1.00 0.00 H new ATOM 0 HG2 GLU A 110 28.985 19.148 -20.876 1.00 0.00 H new ATOM 0 HG3 GLU A 110 30.239 18.099 -21.507 1.00 0.00 H new ATOM 1639 N VAL A 111 28.216 16.514 -16.856 1.00 0.00 N ATOM 1640 CA VAL A 111 28.075 15.573 -15.749 1.00 0.00 C ATOM 1641 C VAL A 111 26.626 15.592 -15.274 1.00 0.00 C ATOM 1642 O VAL A 111 26.028 14.527 -15.128 1.00 0.00 O ATOM 1643 CB VAL A 111 29.045 15.914 -14.606 1.00 0.00 C ATOM 1644 CG1 VAL A 111 28.900 14.939 -13.429 1.00 0.00 C ATOM 1645 CG2 VAL A 111 30.507 15.904 -15.084 1.00 0.00 C ATOM 0 H VAL A 111 28.797 17.324 -16.638 1.00 0.00 H new ATOM 0 HA VAL A 111 28.329 14.569 -16.088 1.00 0.00 H new ATOM 0 HB VAL A 111 28.783 16.918 -14.272 1.00 0.00 H new ATOM 0 HG11 VAL A 111 29.602 15.213 -12.641 1.00 0.00 H new ATOM 0 HG12 VAL A 111 27.883 14.986 -13.041 1.00 0.00 H new ATOM 0 HG13 VAL A 111 29.112 13.925 -13.768 1.00 0.00 H new ATOM 0 HG21 VAL A 111 31.164 16.149 -14.250 1.00 0.00 H new ATOM 0 HG22 VAL A 111 30.758 14.914 -15.465 1.00 0.00 H new ATOM 0 HG23 VAL A 111 30.636 16.641 -15.876 1.00 0.00 H new ATOM 1655 N PHE A 112 26.044 16.782 -15.088 1.00 0.00 N ATOM 1656 CA PHE A 112 24.654 16.920 -14.675 1.00 0.00 C ATOM 1657 C PHE A 112 23.734 16.150 -15.613 1.00 0.00 C ATOM 1658 O PHE A 112 22.938 15.342 -15.149 1.00 0.00 O ATOM 1659 CB PHE A 112 24.234 18.391 -14.650 1.00 0.00 C ATOM 1660 CG PHE A 112 24.463 19.095 -13.340 1.00 0.00 C ATOM 1661 CD1 PHE A 112 23.519 18.963 -12.302 1.00 0.00 C ATOM 1662 CD2 PHE A 112 25.608 19.888 -13.159 1.00 0.00 C ATOM 1663 CE1 PHE A 112 23.741 19.595 -11.071 1.00 0.00 C ATOM 1664 CE2 PHE A 112 25.833 20.513 -11.927 1.00 0.00 C ATOM 1665 CZ PHE A 112 24.912 20.343 -10.885 1.00 0.00 C ATOM 0 H PHE A 112 26.527 17.671 -15.221 1.00 0.00 H new ATOM 0 HA PHE A 112 24.568 16.509 -13.669 1.00 0.00 H new ATOM 0 HB2 PHE A 112 24.778 18.922 -15.431 1.00 0.00 H new ATOM 0 HB3 PHE A 112 23.175 18.455 -14.900 1.00 0.00 H new ATOM 0 HD1 PHE A 112 22.626 18.376 -12.455 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.312 20.015 -13.968 1.00 0.00 H new ATOM 0 HE1 PHE A 112 23.018 19.507 -10.274 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.712 21.123 -11.780 1.00 0.00 H new ATOM 0 HZ PHE A 112 25.107 20.795 -9.924 1.00 0.00 H new ATOM 1675 N ARG A 113 23.833 16.379 -16.924 1.00 0.00 N ATOM 1676 CA ARG A 113 22.965 15.736 -17.906 1.00 0.00 C ATOM 1677 C ARG A 113 23.181 14.232 -17.925 1.00 0.00 C ATOM 1678 O ARG A 113 22.193 13.496 -17.985 1.00 0.00 O ATOM 1679 CB ARG A 113 23.178 16.354 -19.301 1.00 0.00 C ATOM 1680 CG ARG A 113 22.707 17.812 -19.281 1.00 0.00 C ATOM 1681 CD ARG A 113 22.879 18.576 -20.592 1.00 0.00 C ATOM 1682 NE ARG A 113 21.638 18.583 -21.381 1.00 0.00 N ATOM 1683 CZ ARG A 113 21.518 18.539 -22.711 1.00 0.00 C ATOM 1684 NH1 ARG A 113 22.564 18.276 -23.493 1.00 0.00 N ATOM 1685 NH2 ARG A 113 20.326 18.771 -23.241 1.00 0.00 N ATOM 0 H ARG A 113 24.518 17.015 -17.332 1.00 0.00 H new ATOM 0 HA ARG A 113 21.929 15.911 -17.616 1.00 0.00 H new ATOM 0 HB2 ARG A 113 24.231 16.303 -19.578 1.00 0.00 H new ATOM 0 HB3 ARG A 113 22.623 15.790 -20.051 1.00 0.00 H new ATOM 0 HG2 ARG A 113 21.653 17.831 -19.005 1.00 0.00 H new ATOM 0 HG3 ARG A 113 23.251 18.341 -18.498 1.00 0.00 H new ATOM 0 HD2 ARG A 113 23.181 19.601 -20.379 1.00 0.00 H new ATOM 0 HD3 ARG A 113 23.680 18.122 -21.176 1.00 0.00 H new ATOM 0 HE ARG A 113 20.767 18.627 -20.851 1.00 0.00 H new ATOM 0 HH11 ARG A 113 23.480 18.103 -23.079 1.00 0.00 H new ATOM 0 HH12 ARG A 113 22.449 18.247 -24.506 1.00 0.00 H new ATOM 0 HH21 ARG A 113 19.530 18.976 -22.637 1.00 0.00 H new ATOM 0 HH22 ARG A 113 20.204 18.744 -24.253 1.00 0.00 H new ATOM 1699 N THR A 114 24.430 13.769 -17.834 1.00 0.00 N ATOM 1700 CA THR A 114 24.735 12.357 -17.843 1.00 0.00 C ATOM 1701 C THR A 114 24.103 11.702 -16.612 1.00 0.00 C ATOM 1702 O THR A 114 23.346 10.741 -16.742 1.00 0.00 O ATOM 1703 CB THR A 114 26.265 12.211 -17.901 1.00 0.00 C ATOM 1704 OG1 THR A 114 26.772 12.813 -19.076 1.00 0.00 O ATOM 1705 CG2 THR A 114 26.692 10.751 -17.903 1.00 0.00 C ATOM 0 H THR A 114 25.250 14.371 -17.753 1.00 0.00 H new ATOM 0 HA THR A 114 24.318 11.846 -18.711 1.00 0.00 H new ATOM 0 HB THR A 114 26.663 12.702 -17.013 1.00 0.00 H new ATOM 0 HG1 THR A 114 27.079 13.721 -18.872 1.00 0.00 H new ATOM 0 HG21 THR A 114 27.779 10.690 -17.945 1.00 0.00 H new ATOM 0 HG22 THR A 114 26.336 10.267 -16.994 1.00 0.00 H new ATOM 0 HG23 THR A 114 26.267 10.249 -18.772 1.00 0.00 H new ATOM 1713 N VAL A 115 24.361 12.233 -15.415 1.00 0.00 N ATOM 1714 CA VAL A 115 23.828 11.670 -14.187 1.00 0.00 C ATOM 1715 C VAL A 115 22.309 11.783 -14.172 1.00 0.00 C ATOM 1716 O VAL A 115 21.662 10.803 -13.831 1.00 0.00 O ATOM 1717 CB VAL A 115 24.496 12.320 -12.967 1.00 0.00 C ATOM 1718 CG1 VAL A 115 23.842 11.887 -11.646 1.00 0.00 C ATOM 1719 CG2 VAL A 115 25.997 11.991 -12.911 1.00 0.00 C ATOM 0 H VAL A 115 24.942 13.060 -15.277 1.00 0.00 H new ATOM 0 HA VAL A 115 24.062 10.607 -14.138 1.00 0.00 H new ATOM 0 HB VAL A 115 24.361 13.395 -13.086 1.00 0.00 H new ATOM 0 HG11 VAL A 115 24.349 12.373 -10.812 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.791 12.175 -11.649 1.00 0.00 H new ATOM 0 HG13 VAL A 115 23.921 10.805 -11.538 1.00 0.00 H new ATOM 0 HG21 VAL A 115 26.441 12.466 -12.036 1.00 0.00 H new ATOM 0 HG22 VAL A 115 26.131 10.911 -12.845 1.00 0.00 H new ATOM 0 HG23 VAL A 115 26.485 12.363 -13.812 1.00 0.00 H new ATOM 1729 N ARG A 116 21.714 12.905 -14.580 1.00 0.00 N ATOM 1730 CA ARG A 116 20.265 13.069 -14.570 1.00 0.00 C ATOM 1731 C ARG A 116 19.605 12.001 -15.431 1.00 0.00 C ATOM 1732 O ARG A 116 18.634 11.386 -14.993 1.00 0.00 O ATOM 1733 CB ARG A 116 19.923 14.505 -15.001 1.00 0.00 C ATOM 1734 CG ARG A 116 18.414 14.802 -15.006 1.00 0.00 C ATOM 1735 CD ARG A 116 17.586 14.543 -16.282 1.00 0.00 C ATOM 1736 NE ARG A 116 18.386 14.474 -17.522 1.00 0.00 N ATOM 1737 CZ ARG A 116 18.818 15.519 -18.238 1.00 0.00 C ATOM 1738 NH1 ARG A 116 18.431 16.748 -17.937 1.00 0.00 N ATOM 1739 NH2 ARG A 116 19.655 15.350 -19.254 1.00 0.00 N ATOM 0 H ARG A 116 22.222 13.720 -14.924 1.00 0.00 H new ATOM 0 HA ARG A 116 19.867 12.928 -13.565 1.00 0.00 H new ATOM 0 HB2 ARG A 116 20.421 15.205 -14.330 1.00 0.00 H new ATOM 0 HB3 ARG A 116 20.323 14.681 -16.000 1.00 0.00 H new ATOM 0 HG2 ARG A 116 17.965 14.218 -14.203 1.00 0.00 H new ATOM 0 HG3 ARG A 116 18.288 15.853 -14.745 1.00 0.00 H new ATOM 0 HD2 ARG A 116 17.040 13.607 -16.163 1.00 0.00 H new ATOM 0 HD3 ARG A 116 16.843 15.334 -16.386 1.00 0.00 H new ATOM 0 HE ARG A 116 18.632 13.545 -17.864 1.00 0.00 H new ATOM 0 HH11 ARG A 116 17.798 16.906 -17.153 1.00 0.00 H new ATOM 0 HH12 ARG A 116 18.766 17.538 -18.489 1.00 0.00 H new ATOM 0 HH21 ARG A 116 19.978 14.414 -19.499 1.00 0.00 H new ATOM 0 HH22 ARG A 116 19.975 16.156 -19.790 1.00 0.00 H new ATOM 1753 N GLY A 117 20.151 11.744 -16.622 1.00 0.00 N ATOM 1754 CA GLY A 117 19.660 10.671 -17.476 1.00 0.00 C ATOM 1755 C GLY A 117 19.811 9.308 -16.804 1.00 0.00 C ATOM 1756 O GLY A 117 18.836 8.559 -16.728 1.00 0.00 O ATOM 0 H GLY A 117 20.934 12.268 -17.013 1.00 0.00 H new ATOM 0 HA2 GLY A 117 18.611 10.846 -17.715 1.00 0.00 H new ATOM 0 HA3 GLY A 117 20.207 10.676 -18.419 1.00 0.00 H new ATOM 1760 N GLN A 118 20.995 8.994 -16.268 1.00 0.00 N ATOM 1761 CA GLN A 118 21.266 7.707 -15.637 1.00 0.00 C ATOM 1762 C GLN A 118 20.363 7.465 -14.424 1.00 0.00 C ATOM 1763 O GLN A 118 19.818 6.371 -14.269 1.00 0.00 O ATOM 1764 CB GLN A 118 22.746 7.616 -15.231 1.00 0.00 C ATOM 1765 CG GLN A 118 23.689 7.403 -16.422 1.00 0.00 C ATOM 1766 CD GLN A 118 25.092 7.005 -15.961 1.00 0.00 C ATOM 1767 OE1 GLN A 118 25.489 5.847 -16.056 1.00 0.00 O ATOM 1768 NE2 GLN A 118 25.868 7.945 -15.441 1.00 0.00 N ATOM 0 H GLN A 118 21.792 9.630 -16.262 1.00 0.00 H new ATOM 0 HA GLN A 118 21.047 6.928 -16.367 1.00 0.00 H new ATOM 0 HB2 GLN A 118 23.030 8.531 -14.711 1.00 0.00 H new ATOM 0 HB3 GLN A 118 22.872 6.795 -14.525 1.00 0.00 H new ATOM 0 HG2 GLN A 118 23.285 6.628 -17.073 1.00 0.00 H new ATOM 0 HG3 GLN A 118 23.744 8.318 -17.012 1.00 0.00 H new ATOM 0 HE21 GLN A 118 25.528 8.904 -15.367 1.00 0.00 H new ATOM 0 HE22 GLN A 118 26.805 7.710 -15.115 1.00 0.00 H new ATOM 1777 N VAL A 119 20.204 8.472 -13.571 1.00 0.00 N ATOM 1778 CA VAL A 119 19.318 8.472 -12.414 1.00 0.00 C ATOM 1779 C VAL A 119 17.884 8.220 -12.862 1.00 0.00 C ATOM 1780 O VAL A 119 17.247 7.332 -12.303 1.00 0.00 O ATOM 1781 CB VAL A 119 19.457 9.800 -11.630 1.00 0.00 C ATOM 1782 CG1 VAL A 119 18.374 9.976 -10.561 1.00 0.00 C ATOM 1783 CG2 VAL A 119 20.812 9.850 -10.908 1.00 0.00 C ATOM 0 H VAL A 119 20.713 9.350 -13.673 1.00 0.00 H new ATOM 0 HA VAL A 119 19.602 7.666 -11.737 1.00 0.00 H new ATOM 0 HB VAL A 119 19.362 10.595 -12.370 1.00 0.00 H new ATOM 0 HG11 VAL A 119 18.523 10.924 -10.045 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.392 9.971 -11.034 1.00 0.00 H new ATOM 0 HG13 VAL A 119 18.435 9.158 -9.843 1.00 0.00 H new ATOM 0 HG21 VAL A 119 20.898 10.788 -10.360 1.00 0.00 H new ATOM 0 HG22 VAL A 119 20.884 9.015 -10.211 1.00 0.00 H new ATOM 0 HG23 VAL A 119 21.617 9.782 -11.640 1.00 0.00 H new ATOM 1793 N LYS A 120 17.369 8.946 -13.862 1.00 0.00 N ATOM 1794 CA LYS A 120 15.987 8.764 -14.304 1.00 0.00 C ATOM 1795 C LYS A 120 15.764 7.324 -14.747 1.00 0.00 C ATOM 1796 O LYS A 120 14.793 6.693 -14.337 1.00 0.00 O ATOM 1797 CB LYS A 120 15.668 9.777 -15.417 1.00 0.00 C ATOM 1798 CG LYS A 120 14.291 9.539 -16.054 1.00 0.00 C ATOM 1799 CD LYS A 120 13.982 10.613 -17.106 1.00 0.00 C ATOM 1800 CE LYS A 120 12.633 10.377 -17.805 1.00 0.00 C ATOM 1801 NZ LYS A 120 12.641 9.198 -18.708 1.00 0.00 N ATOM 0 H LYS A 120 17.887 9.659 -14.375 1.00 0.00 H new ATOM 0 HA LYS A 120 15.301 8.953 -13.478 1.00 0.00 H new ATOM 0 HB2 LYS A 120 15.705 10.786 -15.007 1.00 0.00 H new ATOM 0 HB3 LYS A 120 16.436 9.718 -16.188 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.266 8.553 -16.517 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.522 9.549 -15.282 1.00 0.00 H new ATOM 0 HD2 LYS A 120 13.975 11.593 -16.629 1.00 0.00 H new ATOM 0 HD3 LYS A 120 14.777 10.627 -17.852 1.00 0.00 H new ATOM 0 HE2 LYS A 120 11.858 10.243 -17.050 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.368 11.265 -18.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 11.793 9.216 -19.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.491 9.225 -19.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 12.644 8.326 -18.141 1.00 0.00 H new ATOM 1815 N GLU A 121 16.692 6.793 -15.535 1.00 0.00 N ATOM 1816 CA GLU A 121 16.688 5.417 -15.989 1.00 0.00 C ATOM 1817 C GLU A 121 16.652 4.462 -14.793 1.00 0.00 C ATOM 1818 O GLU A 121 15.901 3.491 -14.801 1.00 0.00 O ATOM 1819 CB GLU A 121 17.927 5.235 -16.892 1.00 0.00 C ATOM 1820 CG GLU A 121 18.730 3.948 -16.702 1.00 0.00 C ATOM 1821 CD GLU A 121 19.793 3.767 -17.801 1.00 0.00 C ATOM 1822 OE1 GLU A 121 19.465 3.241 -18.889 1.00 0.00 O ATOM 1823 OE2 GLU A 121 20.971 4.124 -17.570 1.00 0.00 O ATOM 0 H GLU A 121 17.488 7.327 -15.883 1.00 0.00 H new ATOM 0 HA GLU A 121 15.797 5.180 -16.570 1.00 0.00 H new ATOM 0 HB2 GLU A 121 17.601 5.283 -17.931 1.00 0.00 H new ATOM 0 HB3 GLU A 121 18.595 6.081 -16.728 1.00 0.00 H new ATOM 0 HG2 GLU A 121 19.216 3.964 -15.726 1.00 0.00 H new ATOM 0 HG3 GLU A 121 18.053 3.094 -16.707 1.00 0.00 H new ATOM 1830 N ARG A 122 17.444 4.730 -13.755 1.00 0.00 N ATOM 1831 CA ARG A 122 17.528 3.856 -12.588 1.00 0.00 C ATOM 1832 C ARG A 122 16.255 3.938 -11.747 1.00 0.00 C ATOM 1833 O ARG A 122 15.775 2.891 -11.327 1.00 0.00 O ATOM 1834 CB ARG A 122 18.808 4.158 -11.800 1.00 0.00 C ATOM 1835 CG ARG A 122 20.039 3.565 -12.495 1.00 0.00 C ATOM 1836 CD ARG A 122 21.329 4.320 -12.141 1.00 0.00 C ATOM 1837 NE ARG A 122 22.498 3.779 -12.866 1.00 0.00 N ATOM 1838 CZ ARG A 122 22.693 3.800 -14.194 1.00 0.00 C ATOM 1839 NH1 ARG A 122 21.819 4.408 -14.990 1.00 0.00 N ATOM 1840 NH2 ARG A 122 23.756 3.207 -14.723 1.00 0.00 N ATOM 0 H ARG A 122 18.042 5.555 -13.700 1.00 0.00 H new ATOM 0 HA ARG A 122 17.596 2.818 -12.912 1.00 0.00 H new ATOM 0 HB2 ARG A 122 18.929 5.236 -11.697 1.00 0.00 H new ATOM 0 HB3 ARG A 122 18.723 3.749 -10.793 1.00 0.00 H new ATOM 0 HG2 ARG A 122 20.144 2.518 -12.211 1.00 0.00 H new ATOM 0 HG3 ARG A 122 19.891 3.590 -13.575 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.209 5.376 -12.381 1.00 0.00 H new ATOM 0 HD3 ARG A 122 21.505 4.255 -11.067 1.00 0.00 H new ATOM 0 HE ARG A 122 23.229 3.347 -12.301 1.00 0.00 H new ATOM 0 HH11 ARG A 122 20.996 4.861 -14.592 1.00 0.00 H new ATOM 0 HH12 ARG A 122 21.971 4.422 -15.998 1.00 0.00 H new ATOM 0 HH21 ARG A 122 24.428 2.733 -14.120 1.00 0.00 H new ATOM 0 HH22 ARG A 122 23.901 3.225 -15.733 1.00 0.00 H new ATOM 1854 N VAL A 123 15.658 5.113 -11.534 1.00 0.00 N ATOM 1855 CA VAL A 123 14.338 5.254 -10.941 1.00 0.00 C ATOM 1856 C VAL A 123 13.327 4.414 -11.735 1.00 0.00 C ATOM 1857 O VAL A 123 12.592 3.638 -11.128 1.00 0.00 O ATOM 1858 CB VAL A 123 13.957 6.745 -10.879 1.00 0.00 C ATOM 1859 CG1 VAL A 123 12.531 6.934 -10.354 1.00 0.00 C ATOM 1860 CG2 VAL A 123 14.893 7.535 -9.951 1.00 0.00 C ATOM 0 H VAL A 123 16.091 6.005 -11.775 1.00 0.00 H new ATOM 0 HA VAL A 123 14.336 4.879 -9.918 1.00 0.00 H new ATOM 0 HB VAL A 123 14.041 7.117 -11.900 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.293 7.997 -10.322 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.830 6.425 -11.015 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.454 6.515 -9.351 1.00 0.00 H new ATOM 0 HG21 VAL A 123 14.591 8.582 -9.935 1.00 0.00 H new ATOM 0 HG22 VAL A 123 14.836 7.125 -8.943 1.00 0.00 H new ATOM 0 HG23 VAL A 123 15.917 7.459 -10.316 1.00 0.00 H new ATOM 1870 N GLU A 124 13.302 4.505 -13.072 1.00 0.00 N ATOM 1871 CA GLU A 124 12.390 3.699 -13.883 1.00 0.00 C ATOM 1872 C GLU A 124 12.651 2.206 -13.665 1.00 0.00 C ATOM 1873 O GLU A 124 11.716 1.414 -13.551 1.00 0.00 O ATOM 1874 CB GLU A 124 12.505 4.029 -15.385 1.00 0.00 C ATOM 1875 CG GLU A 124 11.941 5.403 -15.763 1.00 0.00 C ATOM 1876 CD GLU A 124 12.007 5.673 -17.276 1.00 0.00 C ATOM 1877 OE1 GLU A 124 11.342 4.957 -18.061 1.00 0.00 O ATOM 1878 OE2 GLU A 124 12.693 6.635 -17.690 1.00 0.00 O ATOM 0 H GLU A 124 13.903 5.129 -13.610 1.00 0.00 H new ATOM 0 HA GLU A 124 11.378 3.944 -13.560 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.554 3.985 -15.678 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.982 3.262 -15.957 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.905 5.471 -15.430 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.497 6.178 -15.235 1.00 0.00 H new ATOM 1885 N ASN A 125 13.926 1.828 -13.567 1.00 0.00 N ATOM 1886 CA ASN A 125 14.358 0.459 -13.342 1.00 0.00 C ATOM 1887 C ASN A 125 13.840 -0.047 -11.998 1.00 0.00 C ATOM 1888 O ASN A 125 13.296 -1.145 -11.916 1.00 0.00 O ATOM 1889 CB ASN A 125 15.892 0.370 -13.408 1.00 0.00 C ATOM 1890 CG ASN A 125 16.353 -1.003 -13.865 1.00 0.00 C ATOM 1891 OD1 ASN A 125 16.321 -1.975 -13.116 1.00 0.00 O ATOM 1892 ND2 ASN A 125 16.795 -1.098 -15.109 1.00 0.00 N ATOM 0 H ASN A 125 14.702 2.486 -13.645 1.00 0.00 H new ATOM 0 HA ASN A 125 13.944 -0.176 -14.126 1.00 0.00 H new ATOM 0 HB2 ASN A 125 16.272 1.128 -14.092 1.00 0.00 H new ATOM 0 HB3 ASN A 125 16.312 0.587 -12.426 1.00 0.00 H new ATOM 0 HD21 ASN A 125 17.120 -1.996 -15.467 1.00 0.00 H new ATOM 0 HD22 ASN A 125 16.810 -0.273 -15.709 1.00 0.00 H new ATOM 1899 N LEU A 126 13.974 0.771 -10.950 1.00 0.00 N ATOM 1900 CA LEU A 126 13.526 0.448 -9.601 1.00 0.00 C ATOM 1901 C LEU A 126 12.009 0.272 -9.587 1.00 0.00 C ATOM 1902 O LEU A 126 11.533 -0.742 -9.094 1.00 0.00 O ATOM 1903 CB LEU A 126 14.130 1.406 -8.541 1.00 0.00 C ATOM 1904 CG LEU A 126 13.170 2.449 -7.946 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.324 1.856 -6.817 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.866 3.681 -7.369 1.00 0.00 C ATOM 0 H LEU A 126 14.406 1.692 -11.022 1.00 0.00 H new ATOM 0 HA LEU A 126 13.922 -0.519 -9.290 1.00 0.00 H new ATOM 0 HB2 LEU A 126 14.532 0.805 -7.725 1.00 0.00 H new ATOM 0 HB3 LEU A 126 14.970 1.932 -8.994 1.00 0.00 H new ATOM 0 HG LEU A 126 12.556 2.752 -8.794 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.658 2.622 -6.421 1.00 0.00 H new ATOM 0 HD12 LEU A 126 11.733 1.025 -7.203 1.00 0.00 H new ATOM 0 HD13 LEU A 126 12.978 1.498 -6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.119 4.367 -6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.542 3.376 -6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.434 4.180 -8.155 1.00 0.00 H new ATOM 1918 N ILE A 127 11.257 1.194 -10.189 1.00 0.00 N ATOM 1919 CA ILE A 127 9.807 1.127 -10.313 1.00 0.00 C ATOM 1920 C ILE A 127 9.391 -0.143 -11.061 1.00 0.00 C ATOM 1921 O ILE A 127 8.383 -0.746 -10.695 1.00 0.00 O ATOM 1922 CB ILE A 127 9.330 2.411 -11.027 1.00 0.00 C ATOM 1923 CG1 ILE A 127 9.438 3.639 -10.094 1.00 0.00 C ATOM 1924 CG2 ILE A 127 7.891 2.264 -11.537 1.00 0.00 C ATOM 1925 CD1 ILE A 127 9.364 4.975 -10.845 1.00 0.00 C ATOM 0 H ILE A 127 11.655 2.031 -10.615 1.00 0.00 H new ATOM 0 HA ILE A 127 9.336 1.073 -9.331 1.00 0.00 H new ATOM 0 HB ILE A 127 9.985 2.566 -11.885 1.00 0.00 H new ATOM 0 HG12 ILE A 127 8.636 3.599 -9.357 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.379 3.589 -9.545 1.00 0.00 H new ATOM 0 HG21 ILE A 127 7.585 3.185 -12.034 1.00 0.00 H new ATOM 0 HG22 ILE A 127 7.838 1.435 -12.243 1.00 0.00 H new ATOM 0 HG23 ILE A 127 7.225 2.068 -10.696 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.446 5.797 -10.134 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.181 5.034 -11.564 1.00 0.00 H new ATOM 0 HD13 ILE A 127 8.412 5.044 -11.372 1.00 0.00 H new ATOM 1937 N ALA A 128 10.123 -0.582 -12.085 1.00 0.00 N ATOM 1938 CA ALA A 128 9.705 -1.717 -12.910 1.00 0.00 C ATOM 1939 C ALA A 128 9.571 -3.001 -12.075 1.00 0.00 C ATOM 1940 O ALA A 128 8.752 -3.870 -12.376 1.00 0.00 O ATOM 1941 CB ALA A 128 10.692 -1.918 -14.066 1.00 0.00 C ATOM 0 H ALA A 128 11.012 -0.167 -12.364 1.00 0.00 H new ATOM 0 HA ALA A 128 8.721 -1.494 -13.322 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.373 -2.764 -14.674 1.00 0.00 H new ATOM 0 HB2 ALA A 128 10.719 -1.019 -14.682 1.00 0.00 H new ATOM 0 HB3 ALA A 128 11.687 -2.114 -13.665 1.00 0.00 H new ATOM 1947 N LYS A 129 10.369 -3.102 -11.011 1.00 0.00 N ATOM 1948 CA LYS A 129 10.430 -4.230 -10.091 1.00 0.00 C ATOM 1949 C LYS A 129 9.216 -4.304 -9.154 1.00 0.00 C ATOM 1950 O LYS A 129 8.957 -5.369 -8.593 1.00 0.00 O ATOM 1951 CB LYS A 129 11.702 -4.078 -9.251 1.00 0.00 C ATOM 1952 CG LYS A 129 12.977 -4.108 -10.108 1.00 0.00 C ATOM 1953 CD LYS A 129 14.203 -3.700 -9.284 1.00 0.00 C ATOM 1954 CE LYS A 129 15.330 -3.126 -10.158 1.00 0.00 C ATOM 1955 NZ LYS A 129 15.812 -4.053 -11.212 1.00 0.00 N ATOM 0 H LYS A 129 11.022 -2.360 -10.758 1.00 0.00 H new ATOM 0 HA LYS A 129 10.432 -5.149 -10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.660 -3.139 -8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.745 -4.879 -8.513 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.124 -5.109 -10.513 1.00 0.00 H new ATOM 0 HG3 LYS A 129 12.865 -3.434 -10.957 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.908 -2.958 -8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.576 -4.567 -8.738 1.00 0.00 H new ATOM 0 HE2 LYS A 129 14.978 -2.209 -10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.169 -2.854 -9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.071 -3.510 -12.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.645 -4.571 -10.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.059 -4.729 -11.451 1.00 0.00 H new ATOM 1969 N ILE A 130 8.482 -3.200 -8.978 1.00 0.00 N ATOM 1970 CA ILE A 130 7.455 -3.011 -7.965 1.00 0.00 C ATOM 1971 C ILE A 130 6.088 -2.574 -8.504 1.00 0.00 C ATOM 1972 O ILE A 130 5.075 -2.753 -7.827 1.00 0.00 O ATOM 1973 CB ILE A 130 8.005 -2.004 -6.934 1.00 0.00 C ATOM 1974 CG1 ILE A 130 8.563 -0.699 -7.532 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.060 -2.732 -6.077 1.00 0.00 C ATOM 1976 CD1 ILE A 130 9.321 0.186 -6.542 1.00 0.00 C ATOM 0 H ILE A 130 8.599 -2.378 -9.570 1.00 0.00 H new ATOM 0 HA ILE A 130 7.250 -3.980 -7.510 1.00 0.00 H new ATOM 0 HB ILE A 130 7.166 -1.667 -6.325 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.229 -0.950 -8.358 1.00 0.00 H new ATOM 0 HG13 ILE A 130 7.737 -0.125 -7.952 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.467 -2.042 -5.338 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.596 -3.577 -5.568 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.864 -3.092 -6.718 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.676 1.081 -7.052 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.656 0.473 -5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.172 -0.364 -6.140 1.00 0.00 H new ATOM 1988 N SER A 131 6.076 -2.022 -9.713 1.00 0.00 N ATOM 1989 CA SER A 131 4.895 -1.719 -10.517 1.00 0.00 C ATOM 1990 C SER A 131 3.882 -2.867 -10.454 1.00 0.00 C ATOM 1991 O SER A 131 4.266 -4.033 -10.695 1.00 0.00 O ATOM 1992 CB SER A 131 5.306 -1.450 -11.967 1.00 0.00 C ATOM 1993 OG SER A 131 6.121 -0.300 -12.042 1.00 0.00 O ATOM 1994 OXT SER A 131 2.693 -2.598 -10.183 1.00 0.00 O ATOM 0 H SER A 131 6.940 -1.758 -10.186 1.00 0.00 H new ATOM 0 HA SER A 131 4.419 -0.826 -10.111 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.843 -2.311 -12.365 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.418 -1.315 -12.584 1.00 0.00 H new ATOM 0 HG SER A 131 6.973 -0.473 -11.589 1.00 0.00 H new TER 2000 SER A 131