USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 953 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 25 THR OG1 : rot -44:sc= 0.201 USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 26 ASN : amide:sc= 0 X(o=0.64,f=0.64) USER MOD Set 2.2: A 29 GLN : amide:sc= 0.637 K(o=0.64,f=-1.7!) USER MOD Set 3.1: A 7 THR OG1 : rot -72:sc= 0.562 USER MOD Set 3.2: A 9 THR OG1 : rot 113:sc= 1.22 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.142 (180deg=-0.118) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 172:sc= -0.14 (180deg=-0.425) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 135:sc= -2 (180deg=-4.43!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.032) USER MOD Single : A 14 SER OG : rot 180:sc= -0.839 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc=-0.00169 X(o=-0.0017,f=-0.29) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 146:sc= 0.226 (180deg=0.00467) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 170:sc= 0.247 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 98:sc= 1.17 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0215 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.548 K(o=-0.55,f=-3.1!) USER MOD Single : A 79 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0502) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.513 K(o=0.51,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 156:sc= 1.22 (180deg=0.929) USER MOD Single : A 100 MET CE :methyl -166:sc= -1.63! (180deg=-1.77) USER MOD Single : A 103 SER OG : rot 180:sc= -0.041 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 CYS SG : rot 76:sc= 0.184 USER MOD Single : A 123 GLN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.255 1.802 -11.472 1.00 0.00 N ATOM 2 CA MET A 1 15.909 0.801 -10.445 1.00 0.00 C ATOM 3 C MET A 1 14.458 0.372 -10.651 1.00 0.00 C ATOM 4 O MET A 1 13.699 1.105 -11.280 1.00 0.00 O ATOM 5 CB MET A 1 16.155 1.361 -9.036 1.00 0.00 C ATOM 6 CG MET A 1 17.660 1.406 -8.750 1.00 0.00 C ATOM 7 SD MET A 1 18.091 2.067 -7.118 1.00 0.00 S ATOM 8 CE MET A 1 19.871 1.702 -7.088 1.00 0.00 C ATOM 0 H1 MET A 1 16.925 1.386 -12.150 1.00 0.00 H new ATOM 0 H2 MET A 1 15.393 2.097 -11.974 1.00 0.00 H new ATOM 0 H3 MET A 1 16.691 2.629 -11.017 1.00 0.00 H new ATOM 0 HA MET A 1 16.548 -0.076 -10.544 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.730 2.361 -8.953 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.653 0.739 -8.295 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.065 0.398 -8.839 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.145 2.013 -9.514 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.297 2.046 -6.146 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.024 0.627 -7.184 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.361 2.214 -7.916 1.00 0.00 H new ATOM 18 N LYS A 2 14.052 -0.816 -10.186 1.00 0.00 N ATOM 19 CA LYS A 2 12.656 -1.281 -10.209 1.00 0.00 C ATOM 20 C LYS A 2 12.571 -2.522 -9.341 1.00 0.00 C ATOM 21 O LYS A 2 13.230 -3.508 -9.671 1.00 0.00 O ATOM 22 CB LYS A 2 12.156 -1.614 -11.632 1.00 0.00 C ATOM 23 CG LYS A 2 11.096 -0.634 -12.148 1.00 0.00 C ATOM 24 CD LYS A 2 10.687 -0.985 -13.587 1.00 0.00 C ATOM 25 CE LYS A 2 9.957 0.187 -14.244 1.00 0.00 C ATOM 26 NZ LYS A 2 8.655 0.506 -13.612 1.00 0.00 N ATOM 0 H LYS A 2 14.694 -1.494 -9.776 1.00 0.00 H new ATOM 0 HA LYS A 2 12.020 -0.478 -9.836 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.004 -1.614 -12.317 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.742 -2.622 -11.637 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.221 -0.662 -11.499 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.486 0.383 -12.113 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.572 -1.241 -14.169 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.043 -1.864 -13.583 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.596 1.069 -14.205 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.794 -0.042 -15.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.216 1.309 -14.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.028 -0.322 -13.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.806 0.755 -12.614 1.00 0.00 H new ATOM 40 N MET A 3 11.816 -2.486 -8.244 1.00 0.00 N ATOM 41 CA MET A 3 11.653 -3.622 -7.354 1.00 0.00 C ATOM 42 C MET A 3 10.308 -3.480 -6.659 1.00 0.00 C ATOM 43 O MET A 3 9.921 -2.373 -6.284 1.00 0.00 O ATOM 44 CB MET A 3 12.813 -3.620 -6.357 1.00 0.00 C ATOM 45 CG MET A 3 12.733 -4.788 -5.382 1.00 0.00 C ATOM 46 SD MET A 3 14.111 -5.000 -4.210 1.00 0.00 S ATOM 47 CE MET A 3 15.202 -3.576 -4.492 1.00 0.00 C ATOM 0 H MET A 3 11.298 -1.658 -7.950 1.00 0.00 H new ATOM 0 HA MET A 3 11.668 -4.571 -7.891 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.757 -3.666 -6.900 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.810 -2.683 -5.800 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.814 -4.683 -4.805 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.641 -5.706 -5.963 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.980 -3.557 -3.728 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.662 -3.660 -5.477 1.00 0.00 H new ATOM 0 HE3 MET A 3 14.620 -2.656 -4.441 1.00 0.00 H new ATOM 57 N LYS A 4 9.570 -4.571 -6.468 1.00 0.00 N ATOM 58 CA LYS A 4 8.205 -4.501 -5.963 1.00 0.00 C ATOM 59 C LYS A 4 7.972 -5.595 -4.930 1.00 0.00 C ATOM 60 O LYS A 4 7.550 -6.694 -5.279 1.00 0.00 O ATOM 61 CB LYS A 4 7.156 -4.494 -7.101 1.00 0.00 C ATOM 62 CG LYS A 4 7.625 -4.788 -8.536 1.00 0.00 C ATOM 63 CD LYS A 4 6.448 -4.660 -9.519 1.00 0.00 C ATOM 64 CE LYS A 4 6.131 -3.192 -9.850 1.00 0.00 C ATOM 65 NZ LYS A 4 6.963 -2.655 -10.949 1.00 0.00 N ATOM 0 H LYS A 4 9.899 -5.518 -6.657 1.00 0.00 H new ATOM 0 HA LYS A 4 8.072 -3.545 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.388 -5.225 -6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.677 -3.515 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.418 -4.095 -8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.045 -5.792 -8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.683 -5.196 -10.438 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.565 -5.134 -9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.079 -3.106 -10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.280 -2.584 -8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.705 -1.663 -11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.967 -2.709 -10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.803 -3.215 -11.811 1.00 0.00 H new ATOM 79 N LYS A 5 8.361 -5.339 -3.674 1.00 0.00 N ATOM 80 CA LYS A 5 8.124 -6.346 -2.622 1.00 0.00 C ATOM 81 C LYS A 5 6.711 -6.289 -2.041 1.00 0.00 C ATOM 82 O LYS A 5 5.953 -5.375 -2.369 1.00 0.00 O ATOM 83 CB LYS A 5 9.184 -6.237 -1.533 1.00 0.00 C ATOM 84 CG LYS A 5 10.581 -6.417 -2.127 1.00 0.00 C ATOM 85 CD LYS A 5 11.458 -5.246 -1.743 1.00 0.00 C ATOM 86 CE LYS A 5 10.990 -3.902 -2.320 1.00 0.00 C ATOM 87 NZ LYS A 5 10.187 -3.105 -1.355 1.00 0.00 N ATOM 0 H LYS A 5 8.822 -4.483 -3.366 1.00 0.00 H new ATOM 0 HA LYS A 5 8.208 -7.325 -3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.113 -5.266 -1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.007 -6.993 -0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.022 -7.346 -1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.517 -6.494 -3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.492 -5.171 -0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.476 -5.441 -2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.860 -3.322 -2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.396 -4.084 -3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.508 -2.116 -1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.182 -3.147 -1.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.308 -3.494 -0.398 1.00 0.00 H new ATOM 101 N TYR A 6 6.401 -7.214 -1.129 1.00 0.00 N ATOM 102 CA TYR A 6 5.104 -7.372 -0.476 1.00 0.00 C ATOM 103 C TYR A 6 5.312 -7.497 1.031 1.00 0.00 C ATOM 104 O TYR A 6 6.361 -7.956 1.481 1.00 0.00 O ATOM 105 CB TYR A 6 4.424 -8.640 -1.000 1.00 0.00 C ATOM 106 CG TYR A 6 4.206 -8.661 -2.501 1.00 0.00 C ATOM 107 CD1 TYR A 6 5.260 -9.049 -3.348 1.00 0.00 C ATOM 108 CD2 TYR A 6 2.969 -8.272 -3.053 1.00 0.00 C ATOM 109 CE1 TYR A 6 5.102 -8.997 -4.741 1.00 0.00 C ATOM 110 CE2 TYR A 6 2.787 -8.265 -4.450 1.00 0.00 C ATOM 111 CZ TYR A 6 3.864 -8.617 -5.301 1.00 0.00 C ATOM 112 OH TYR A 6 3.741 -8.594 -6.655 1.00 0.00 O ATOM 0 H TYR A 6 7.082 -7.905 -0.813 1.00 0.00 H new ATOM 0 HA TYR A 6 4.477 -6.506 -0.690 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.028 -9.503 -0.721 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.460 -8.752 -0.504 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.194 -9.388 -2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.158 -7.978 -2.403 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.930 -9.249 -5.387 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.830 -7.992 -4.871 1.00 0.00 H new ATOM 0 HH TYR A 6 2.833 -8.315 -6.896 1.00 0.00 H new ATOM 122 N THR A 7 4.315 -7.103 1.818 1.00 0.00 N ATOM 123 CA THR A 7 4.408 -7.002 3.262 1.00 0.00 C ATOM 124 C THR A 7 3.729 -8.209 3.908 1.00 0.00 C ATOM 125 O THR A 7 3.200 -9.107 3.243 1.00 0.00 O ATOM 126 CB THR A 7 3.697 -5.718 3.718 1.00 0.00 C ATOM 127 OG1 THR A 7 2.349 -5.826 3.327 1.00 0.00 O ATOM 128 CG2 THR A 7 4.280 -4.422 3.164 1.00 0.00 C ATOM 0 H THR A 7 3.399 -6.840 1.455 1.00 0.00 H new ATOM 0 HA THR A 7 5.456 -6.976 3.560 1.00 0.00 H new ATOM 0 HB THR A 7 3.827 -5.646 4.798 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.282 -5.730 2.354 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.709 -3.575 3.544 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.320 -4.328 3.476 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.228 -4.436 2.075 1.00 0.00 H new ATOM 136 N LYS A 8 3.646 -8.141 5.230 1.00 0.00 N ATOM 137 CA LYS A 8 2.881 -9.024 6.100 1.00 0.00 C ATOM 138 C LYS A 8 1.520 -8.395 6.480 1.00 0.00 C ATOM 139 O LYS A 8 0.815 -8.939 7.336 1.00 0.00 O ATOM 140 CB LYS A 8 3.745 -9.456 7.312 1.00 0.00 C ATOM 141 CG LYS A 8 5.264 -9.475 7.031 1.00 0.00 C ATOM 142 CD LYS A 8 6.138 -10.017 8.164 1.00 0.00 C ATOM 143 CE LYS A 8 5.726 -11.447 8.490 1.00 0.00 C ATOM 144 NZ LYS A 8 6.870 -12.310 8.865 1.00 0.00 N ATOM 0 H LYS A 8 4.143 -7.422 5.756 1.00 0.00 H new ATOM 0 HA LYS A 8 2.628 -9.939 5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.549 -8.779 8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.433 -10.451 7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.443 -10.075 6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.586 -8.459 6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.188 -9.988 7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.036 -9.388 9.048 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.005 -11.434 9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.220 -11.879 7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.527 -13.269 9.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.548 -12.350 8.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.339 -11.918 9.706 1.00 0.00 H new ATOM 158 N THR A 9 1.115 -7.286 5.840 1.00 0.00 N ATOM 159 CA THR A 9 -0.147 -6.574 6.074 1.00 0.00 C ATOM 160 C THR A 9 -1.013 -6.522 4.800 1.00 0.00 C ATOM 161 O THR A 9 -1.774 -5.577 4.603 1.00 0.00 O ATOM 162 CB THR A 9 0.124 -5.185 6.704 1.00 0.00 C ATOM 163 OG1 THR A 9 1.005 -4.414 5.899 1.00 0.00 O ATOM 164 CG2 THR A 9 0.764 -5.343 8.087 1.00 0.00 C ATOM 0 H THR A 9 1.683 -6.845 5.116 1.00 0.00 H new ATOM 0 HA THR A 9 -0.739 -7.132 6.799 1.00 0.00 H new ATOM 0 HB THR A 9 -0.837 -4.676 6.783 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.522 -3.647 5.528 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.949 -4.359 8.517 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.092 -5.903 8.737 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.708 -5.880 7.992 1.00 0.00 H new ATOM 172 N HIS A 10 -0.965 -7.546 3.934 1.00 0.00 N ATOM 173 CA HIS A 10 -1.778 -7.626 2.711 1.00 0.00 C ATOM 174 C HIS A 10 -1.531 -6.423 1.778 1.00 0.00 C ATOM 175 O HIS A 10 -2.452 -5.926 1.127 1.00 0.00 O ATOM 176 CB HIS A 10 -3.285 -7.819 3.030 1.00 0.00 C ATOM 177 CG HIS A 10 -3.645 -8.512 4.327 1.00 0.00 C ATOM 178 ND1 HIS A 10 -3.815 -9.871 4.510 1.00 0.00 N ATOM 179 CD2 HIS A 10 -3.933 -7.884 5.511 1.00 0.00 C ATOM 180 CE1 HIS A 10 -4.199 -10.064 5.783 1.00 0.00 C ATOM 181 NE2 HIS A 10 -4.267 -8.879 6.416 1.00 0.00 N ATOM 0 H HIS A 10 -0.353 -8.351 4.065 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.455 -8.515 2.170 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.756 -6.836 3.033 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.732 -8.384 2.212 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.905 -6.821 5.701 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.419 -11.023 6.229 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.521 -8.737 7.394 1.00 0.00 H new ATOM 190 N GLU A 11 -0.290 -5.963 1.658 1.00 0.00 N ATOM 191 CA GLU A 11 0.107 -4.681 1.080 1.00 0.00 C ATOM 192 C GLU A 11 1.284 -4.913 0.134 1.00 0.00 C ATOM 193 O GLU A 11 2.223 -5.637 0.490 1.00 0.00 O ATOM 194 CB GLU A 11 0.547 -3.753 2.221 1.00 0.00 C ATOM 195 CG GLU A 11 -0.118 -2.389 2.283 1.00 0.00 C ATOM 196 CD GLU A 11 0.363 -1.703 3.564 1.00 0.00 C ATOM 197 OE1 GLU A 11 -0.037 -2.190 4.662 1.00 0.00 O ATOM 198 OE2 GLU A 11 1.120 -0.719 3.447 1.00 0.00 O ATOM 0 H GLU A 11 0.512 -6.505 1.979 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.722 -4.233 0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.364 -4.265 3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.624 -3.604 2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.144 -1.794 1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.203 -2.491 2.286 1.00 0.00 H new ATOM 205 N TRP A 12 1.263 -4.270 -1.032 1.00 0.00 N ATOM 206 CA TRP A 12 2.338 -4.302 -2.014 1.00 0.00 C ATOM 207 C TRP A 12 3.086 -2.968 -2.006 1.00 0.00 C ATOM 208 O TRP A 12 2.645 -1.973 -1.423 1.00 0.00 O ATOM 209 CB TRP A 12 1.790 -4.643 -3.410 1.00 0.00 C ATOM 210 CG TRP A 12 0.721 -3.738 -3.954 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.602 -4.009 -3.919 1.00 0.00 C ATOM 212 CD2 TRP A 12 0.841 -2.470 -4.678 1.00 0.00 C ATOM 213 NE1 TRP A 12 -1.306 -2.988 -4.517 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.468 -2.026 -5.026 1.00 0.00 C ATOM 215 CE3 TRP A 12 1.908 -1.652 -5.108 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.707 -0.844 -5.743 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.673 -0.495 -5.878 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.373 -0.093 -6.203 1.00 0.00 C ATOM 0 H TRP A 12 0.473 -3.696 -1.325 1.00 0.00 H new ATOM 0 HA TRP A 12 3.045 -5.088 -1.747 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.624 -4.645 -4.112 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.395 -5.658 -3.382 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -1.042 -4.895 -3.486 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.324 -2.951 -4.575 1.00 0.00 H new ATOM 0 HE3 TRP A 12 2.921 -1.917 -4.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.719 -0.519 -5.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.511 0.092 -6.223 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.208 0.789 -6.804 1.00 0.00 H new ATOM 229 N VAL A 13 4.253 -2.958 -2.646 1.00 0.00 N ATOM 230 CA VAL A 13 5.186 -1.843 -2.699 1.00 0.00 C ATOM 231 C VAL A 13 5.741 -1.831 -4.126 1.00 0.00 C ATOM 232 O VAL A 13 5.958 -2.899 -4.690 1.00 0.00 O ATOM 233 CB VAL A 13 6.328 -2.077 -1.679 1.00 0.00 C ATOM 234 CG1 VAL A 13 7.078 -0.786 -1.372 1.00 0.00 C ATOM 235 CG2 VAL A 13 5.890 -2.703 -0.346 1.00 0.00 C ATOM 0 H VAL A 13 4.587 -3.769 -3.166 1.00 0.00 H new ATOM 0 HA VAL A 13 4.708 -0.895 -2.452 1.00 0.00 H new ATOM 0 HB VAL A 13 6.975 -2.797 -2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.872 -0.989 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.512 -0.390 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.387 -0.055 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.759 -2.827 0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.165 -2.051 0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.435 -3.676 -0.533 1.00 0.00 H new ATOM 245 N SER A 14 6.013 -0.664 -4.709 1.00 0.00 N ATOM 246 CA SER A 14 6.460 -0.518 -6.091 1.00 0.00 C ATOM 247 C SER A 14 7.518 0.575 -6.180 1.00 0.00 C ATOM 248 O SER A 14 7.218 1.731 -6.454 1.00 0.00 O ATOM 249 CB SER A 14 5.258 -0.192 -6.974 1.00 0.00 C ATOM 250 OG SER A 14 4.858 -1.308 -7.751 1.00 0.00 O ATOM 0 H SER A 14 5.926 0.227 -4.220 1.00 0.00 H new ATOM 0 HA SER A 14 6.907 -1.449 -6.438 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.426 0.133 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.506 0.640 -7.633 1.00 0.00 H new ATOM 0 HG SER A 14 4.086 -1.063 -8.302 1.00 0.00 H new ATOM 256 N ILE A 15 8.762 0.207 -5.898 1.00 0.00 N ATOM 257 CA ILE A 15 9.937 1.059 -5.993 1.00 0.00 C ATOM 258 C ILE A 15 10.353 1.118 -7.466 1.00 0.00 C ATOM 259 O ILE A 15 10.404 0.085 -8.142 1.00 0.00 O ATOM 260 CB ILE A 15 10.979 0.479 -4.990 1.00 0.00 C ATOM 261 CG1 ILE A 15 10.684 1.106 -3.603 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.458 0.601 -5.376 1.00 0.00 C ATOM 263 CD1 ILE A 15 10.461 0.078 -2.490 1.00 0.00 C ATOM 0 H ILE A 15 8.987 -0.737 -5.583 1.00 0.00 H new ATOM 0 HA ILE A 15 9.787 2.100 -5.707 1.00 0.00 H new ATOM 0 HB ILE A 15 10.846 -0.603 -4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.515 1.754 -3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.800 1.738 -3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.076 0.159 -4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.633 0.077 -6.316 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.718 1.653 -5.493 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.261 0.595 -1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.611 -0.555 -2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 15 11.353 -0.539 -2.381 1.00 0.00 H new ATOM 275 N GLU A 16 10.612 2.323 -7.980 1.00 0.00 N ATOM 276 CA GLU A 16 11.133 2.528 -9.337 1.00 0.00 C ATOM 277 C GLU A 16 12.225 3.593 -9.423 1.00 0.00 C ATOM 278 O GLU A 16 12.936 3.644 -10.432 1.00 0.00 O ATOM 279 CB GLU A 16 10.015 2.774 -10.363 1.00 0.00 C ATOM 280 CG GLU A 16 8.827 3.637 -9.910 1.00 0.00 C ATOM 281 CD GLU A 16 7.790 3.707 -11.034 1.00 0.00 C ATOM 282 OE1 GLU A 16 7.002 2.732 -11.196 1.00 0.00 O ATOM 283 OE2 GLU A 16 7.786 4.708 -11.780 1.00 0.00 O ATOM 0 H GLU A 16 10.466 3.191 -7.464 1.00 0.00 H new ATOM 0 HA GLU A 16 11.615 1.587 -9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.459 3.243 -11.241 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.628 1.806 -10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.378 3.214 -9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.169 4.640 -9.653 1.00 0.00 H new ATOM 290 N ASP A 17 12.421 4.401 -8.380 1.00 0.00 N ATOM 291 CA ASP A 17 13.552 5.321 -8.340 1.00 0.00 C ATOM 292 C ASP A 17 13.787 5.738 -6.895 1.00 0.00 C ATOM 293 O ASP A 17 14.731 5.270 -6.251 1.00 0.00 O ATOM 294 CB ASP A 17 13.299 6.526 -9.270 1.00 0.00 C ATOM 295 CG ASP A 17 14.558 7.112 -9.906 1.00 0.00 C ATOM 296 OD1 ASP A 17 15.677 6.589 -9.695 1.00 0.00 O ATOM 297 OD2 ASP A 17 14.357 8.092 -10.659 1.00 0.00 O ATOM 0 H ASP A 17 11.816 4.435 -7.560 1.00 0.00 H new ATOM 0 HA ASP A 17 14.455 4.833 -8.707 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.616 6.220 -10.062 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.797 7.309 -8.701 1.00 0.00 H new ATOM 302 N LYS A 18 12.877 6.549 -6.347 1.00 0.00 N ATOM 303 CA LYS A 18 12.961 7.112 -4.999 1.00 0.00 C ATOM 304 C LYS A 18 11.582 7.213 -4.356 1.00 0.00 C ATOM 305 O LYS A 18 11.432 7.981 -3.413 1.00 0.00 O ATOM 306 CB LYS A 18 13.625 8.506 -5.014 1.00 0.00 C ATOM 307 CG LYS A 18 14.668 8.709 -6.125 1.00 0.00 C ATOM 308 CD LYS A 18 15.291 10.100 -6.124 1.00 0.00 C ATOM 309 CE LYS A 18 16.387 10.067 -7.190 1.00 0.00 C ATOM 310 NZ LYS A 18 16.844 11.419 -7.539 1.00 0.00 N ATOM 0 H LYS A 18 12.036 6.840 -6.846 1.00 0.00 H new ATOM 0 HA LYS A 18 13.578 6.434 -4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.848 9.263 -5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.104 8.676 -4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.457 7.966 -6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.197 8.530 -7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.546 10.862 -6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.705 10.342 -5.145 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.231 9.480 -6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.012 9.568 -8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.587 11.358 -8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.044 11.971 -7.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.225 11.886 -6.692 1.00 0.00 H new ATOM 324 N VAL A 19 10.575 6.511 -4.863 1.00 0.00 N ATOM 325 CA VAL A 19 9.218 6.488 -4.357 1.00 0.00 C ATOM 326 C VAL A 19 8.720 5.056 -4.543 1.00 0.00 C ATOM 327 O VAL A 19 8.819 4.509 -5.644 1.00 0.00 O ATOM 328 CB VAL A 19 8.357 7.522 -5.115 1.00 0.00 C ATOM 329 CG1 VAL A 19 6.886 7.430 -4.727 1.00 0.00 C ATOM 330 CG2 VAL A 19 8.789 8.965 -4.803 1.00 0.00 C ATOM 0 H VAL A 19 10.695 5.913 -5.681 1.00 0.00 H new ATOM 0 HA VAL A 19 9.160 6.764 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 19 8.498 7.290 -6.171 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.316 8.174 -5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.509 6.435 -4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.779 7.615 -3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.158 9.661 -5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.686 9.153 -3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.829 9.105 -5.097 1.00 0.00 H new ATOM 340 N ALA A 20 8.190 4.444 -3.480 1.00 0.00 N ATOM 341 CA ALA A 20 7.300 3.303 -3.610 1.00 0.00 C ATOM 342 C ALA A 20 5.892 3.836 -3.780 1.00 0.00 C ATOM 343 O ALA A 20 5.421 4.632 -2.964 1.00 0.00 O ATOM 344 CB ALA A 20 7.296 2.419 -2.360 1.00 0.00 C ATOM 0 H ALA A 20 8.368 4.728 -2.517 1.00 0.00 H new ATOM 0 HA ALA A 20 7.640 2.706 -4.456 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.615 1.581 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.302 2.041 -2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.968 3.005 -1.501 1.00 0.00 H new ATOM 350 N THR A 21 5.197 3.314 -4.779 1.00 0.00 N ATOM 351 CA THR A 21 3.745 3.252 -4.741 1.00 0.00 C ATOM 352 C THR A 21 3.364 2.157 -3.740 1.00 0.00 C ATOM 353 O THR A 21 3.960 1.076 -3.763 1.00 0.00 O ATOM 354 CB THR A 21 3.203 3.054 -6.170 1.00 0.00 C ATOM 355 OG1 THR A 21 3.787 3.999 -7.048 1.00 0.00 O ATOM 356 CG2 THR A 21 1.691 3.253 -6.223 1.00 0.00 C ATOM 0 H THR A 21 5.615 2.928 -5.625 1.00 0.00 H new ATOM 0 HA THR A 21 3.285 4.177 -4.394 1.00 0.00 H new ATOM 0 HB THR A 21 3.452 2.036 -6.469 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.438 3.864 -7.954 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.340 3.106 -7.245 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.206 2.531 -5.566 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.445 4.264 -5.897 1.00 0.00 H new ATOM 364 N VAL A 22 2.432 2.467 -2.839 1.00 0.00 N ATOM 365 CA VAL A 22 1.786 1.556 -1.905 1.00 0.00 C ATOM 366 C VAL A 22 0.354 1.322 -2.399 1.00 0.00 C ATOM 367 O VAL A 22 -0.351 2.268 -2.769 1.00 0.00 O ATOM 368 CB VAL A 22 1.769 2.176 -0.485 1.00 0.00 C ATOM 369 CG1 VAL A 22 1.336 1.137 0.561 1.00 0.00 C ATOM 370 CG2 VAL A 22 3.138 2.748 -0.072 1.00 0.00 C ATOM 0 H VAL A 22 2.089 3.422 -2.739 1.00 0.00 H new ATOM 0 HA VAL A 22 2.328 0.612 -1.854 1.00 0.00 H new ATOM 0 HB VAL A 22 1.051 2.995 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.332 1.596 1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.335 0.777 0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.034 0.300 0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.069 3.170 0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.882 1.952 -0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.433 3.528 -0.774 1.00 0.00 H new ATOM 380 N GLY A 23 -0.108 0.081 -2.310 1.00 0.00 N ATOM 381 CA GLY A 23 -1.509 -0.280 -2.395 1.00 0.00 C ATOM 382 C GLY A 23 -1.733 -1.532 -1.560 1.00 0.00 C ATOM 383 O GLY A 23 -0.778 -2.231 -1.198 1.00 0.00 O ATOM 0 H GLY A 23 0.504 -0.723 -2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.134 0.536 -2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.792 -0.460 -3.432 1.00 0.00 H new ATOM 387 N ILE A 24 -2.992 -1.830 -1.263 1.00 0.00 N ATOM 388 CA ILE A 24 -3.368 -3.124 -0.720 1.00 0.00 C ATOM 389 C ILE A 24 -3.457 -4.135 -1.854 1.00 0.00 C ATOM 390 O ILE A 24 -3.688 -3.808 -3.016 1.00 0.00 O ATOM 391 CB ILE A 24 -4.662 -3.061 0.110 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.796 -2.261 -0.564 1.00 0.00 C ATOM 393 CG2 ILE A 24 -4.308 -2.492 1.491 1.00 0.00 C ATOM 394 CD1 ILE A 24 -7.180 -2.618 -0.007 1.00 0.00 C ATOM 0 H ILE A 24 -3.773 -1.186 -1.391 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.596 -3.446 -0.022 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.063 -4.071 0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.616 -1.195 -0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.781 -2.449 -1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.208 -2.436 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.579 -3.142 1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.885 -1.494 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.941 -2.026 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.375 -3.678 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.209 -2.404 1.061 1.00 0.00 H new ATOM 406 N THR A 25 -3.229 -5.391 -1.504 1.00 0.00 N ATOM 407 CA THR A 25 -3.349 -6.528 -2.397 1.00 0.00 C ATOM 408 C THR A 25 -4.826 -6.880 -2.584 1.00 0.00 C ATOM 409 O THR A 25 -5.702 -6.460 -1.818 1.00 0.00 O ATOM 410 CB THR A 25 -2.539 -7.705 -1.823 1.00 0.00 C ATOM 411 OG1 THR A 25 -2.945 -8.014 -0.501 1.00 0.00 O ATOM 412 CG2 THR A 25 -1.034 -7.397 -1.840 1.00 0.00 C ATOM 0 H THR A 25 -2.946 -5.653 -0.560 1.00 0.00 H new ATOM 0 HA THR A 25 -2.944 -6.289 -3.380 1.00 0.00 H new ATOM 0 HB THR A 25 -2.732 -8.569 -2.458 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.050 -7.185 0.011 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.485 -8.244 -1.429 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.711 -7.218 -2.865 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.837 -6.510 -1.237 1.00 0.00 H new ATOM 420 N ASN A 26 -5.110 -7.707 -3.589 1.00 0.00 N ATOM 421 CA ASN A 26 -6.473 -8.093 -3.936 1.00 0.00 C ATOM 422 C ASN A 26 -7.229 -8.726 -2.764 1.00 0.00 C ATOM 423 O ASN A 26 -8.414 -8.475 -2.574 1.00 0.00 O ATOM 424 CB ASN A 26 -6.447 -8.996 -5.173 1.00 0.00 C ATOM 425 CG ASN A 26 -6.927 -10.432 -4.931 1.00 0.00 C ATOM 426 OD1 ASN A 26 -6.159 -11.305 -4.523 1.00 0.00 O ATOM 427 ND2 ASN A 26 -8.216 -10.684 -5.096 1.00 0.00 N ATOM 0 H ASN A 26 -4.398 -8.128 -4.186 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.034 -7.189 -4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.068 -8.546 -5.947 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.429 -9.029 -5.560 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.586 -11.611 -4.885 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.840 -9.951 -5.434 1.00 0.00 H new ATOM 434 N HIS A 27 -6.559 -9.504 -1.923 1.00 0.00 N ATOM 435 CA HIS A 27 -7.204 -10.171 -0.785 1.00 0.00 C ATOM 436 C HIS A 27 -7.944 -9.188 0.123 1.00 0.00 C ATOM 437 O HIS A 27 -8.998 -9.505 0.667 1.00 0.00 O ATOM 438 CB HIS A 27 -6.159 -10.941 0.015 1.00 0.00 C ATOM 439 CG HIS A 27 -6.738 -11.907 1.014 1.00 0.00 C ATOM 440 ND1 HIS A 27 -7.163 -13.192 0.727 1.00 0.00 N ATOM 441 CD2 HIS A 27 -6.886 -11.693 2.357 1.00 0.00 C ATOM 442 CE1 HIS A 27 -7.532 -13.760 1.891 1.00 0.00 C ATOM 443 NE2 HIS A 27 -7.371 -12.873 2.894 1.00 0.00 N ATOM 0 H HIS A 27 -5.560 -9.693 -2.004 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.949 -10.859 -1.184 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.520 -11.490 -0.676 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.523 -10.229 0.541 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.667 -10.782 2.893 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.900 -14.769 2.004 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.572 -13.043 3.879 1.00 0.00 H new ATOM 452 N ALA A 28 -7.428 -7.966 0.251 1.00 0.00 N ATOM 453 CA ALA A 28 -8.070 -6.925 1.027 1.00 0.00 C ATOM 454 C ALA A 28 -9.382 -6.472 0.369 1.00 0.00 C ATOM 455 O ALA A 28 -10.401 -6.466 1.061 1.00 0.00 O ATOM 456 CB ALA A 28 -7.066 -5.798 1.214 1.00 0.00 C ATOM 0 H ALA A 28 -6.552 -7.677 -0.184 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.361 -7.296 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.522 -4.997 1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.189 -6.175 1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.766 -5.412 0.240 1.00 0.00 H new ATOM 462 N GLN A 29 -9.393 -6.156 -0.939 1.00 0.00 N ATOM 463 CA GLN A 29 -10.644 -5.793 -1.619 1.00 0.00 C ATOM 464 C GLN A 29 -11.653 -6.937 -1.578 1.00 0.00 C ATOM 465 O GLN A 29 -12.851 -6.694 -1.587 1.00 0.00 O ATOM 466 CB GLN A 29 -10.427 -5.258 -3.052 1.00 0.00 C ATOM 467 CG GLN A 29 -9.814 -6.107 -4.165 1.00 0.00 C ATOM 468 CD GLN A 29 -10.700 -7.202 -4.762 1.00 0.00 C ATOM 469 OE1 GLN A 29 -11.471 -6.982 -5.687 1.00 0.00 O ATOM 470 NE2 GLN A 29 -10.539 -8.427 -4.302 1.00 0.00 N ATOM 0 H GLN A 29 -8.565 -6.145 -1.535 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.067 -4.960 -1.058 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.402 -4.930 -3.412 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.804 -4.368 -2.961 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.507 -5.441 -4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.910 -6.575 -3.777 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.895 -8.602 -3.531 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.059 -9.200 -4.717 1.00 0.00 H new ATOM 479 N GLU A 30 -11.186 -8.184 -1.491 1.00 0.00 N ATOM 480 CA GLU A 30 -12.038 -9.351 -1.582 1.00 0.00 C ATOM 481 C GLU A 30 -12.958 -9.421 -0.358 1.00 0.00 C ATOM 482 O GLU A 30 -14.171 -9.583 -0.489 1.00 0.00 O ATOM 483 CB GLU A 30 -11.134 -10.576 -1.832 1.00 0.00 C ATOM 484 CG GLU A 30 -11.168 -11.686 -0.788 1.00 0.00 C ATOM 485 CD GLU A 30 -10.439 -12.959 -1.218 1.00 0.00 C ATOM 486 OE1 GLU A 30 -9.202 -12.929 -1.373 1.00 0.00 O ATOM 487 OE2 GLU A 30 -11.120 -14.001 -1.413 1.00 0.00 O ATOM 0 H GLU A 30 -10.199 -8.404 -1.355 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.729 -9.311 -2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.408 -11.008 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.106 -10.226 -1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.722 -11.317 0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.206 -11.931 -0.565 1.00 0.00 H new ATOM 494 N GLN A 31 -12.394 -9.281 0.842 1.00 0.00 N ATOM 495 CA GLN A 31 -13.183 -9.189 2.062 1.00 0.00 C ATOM 496 C GLN A 31 -13.964 -7.883 2.122 1.00 0.00 C ATOM 497 O GLN A 31 -15.155 -7.922 2.418 1.00 0.00 O ATOM 498 CB GLN A 31 -12.406 -9.416 3.359 1.00 0.00 C ATOM 499 CG GLN A 31 -10.921 -9.139 3.267 1.00 0.00 C ATOM 500 CD GLN A 31 -10.209 -9.240 4.612 1.00 0.00 C ATOM 501 OE1 GLN A 31 -9.534 -8.300 5.030 1.00 0.00 O ATOM 502 NE2 GLN A 31 -10.286 -10.375 5.293 1.00 0.00 N ATOM 0 H GLN A 31 -11.386 -9.229 0.991 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.879 -10.025 1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.832 -8.782 4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.550 -10.449 3.676 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.469 -9.844 2.569 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.768 -8.141 2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.849 -11.147 4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.782 -10.476 6.174 1.00 0.00 H new ATOM 511 N LEU A 32 -13.311 -6.734 1.893 1.00 0.00 N ATOM 512 CA LEU A 32 -13.951 -5.426 2.099 1.00 0.00 C ATOM 513 C LEU A 32 -15.118 -5.250 1.124 1.00 0.00 C ATOM 514 O LEU A 32 -16.154 -4.731 1.529 1.00 0.00 O ATOM 515 CB LEU A 32 -12.960 -4.253 1.968 1.00 0.00 C ATOM 516 CG LEU A 32 -11.860 -4.084 3.050 1.00 0.00 C ATOM 517 CD1 LEU A 32 -11.701 -2.613 3.470 1.00 0.00 C ATOM 518 CD2 LEU A 32 -12.070 -4.915 4.325 1.00 0.00 C ATOM 0 H LEU A 32 -12.346 -6.683 1.567 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.326 -5.410 3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.463 -4.346 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.541 -3.331 1.940 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.961 -4.456 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.922 -2.533 4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.424 -2.015 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.643 -2.247 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.251 -4.729 5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.013 -4.632 4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.095 -5.974 4.069 1.00 0.00 H new ATOM 530 N GLY A 33 -15.024 -5.774 -0.100 1.00 0.00 N ATOM 531 CA GLY A 33 -16.078 -5.694 -1.094 1.00 0.00 C ATOM 532 C GLY A 33 -16.214 -4.260 -1.570 1.00 0.00 C ATOM 533 O GLY A 33 -15.269 -3.670 -2.108 1.00 0.00 O ATOM 0 H GLY A 33 -14.196 -6.273 -0.426 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.850 -6.348 -1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.021 -6.039 -0.669 1.00 0.00 H new ATOM 537 N ASP A 34 -17.399 -3.703 -1.355 1.00 0.00 N ATOM 538 CA ASP A 34 -17.676 -2.306 -1.588 1.00 0.00 C ATOM 539 C ASP A 34 -16.872 -1.544 -0.551 1.00 0.00 C ATOM 540 O ASP A 34 -17.162 -1.595 0.645 1.00 0.00 O ATOM 541 CB ASP A 34 -19.175 -1.997 -1.520 1.00 0.00 C ATOM 542 CG ASP A 34 -19.927 -2.646 -2.687 1.00 0.00 C ATOM 543 OD1 ASP A 34 -20.012 -2.008 -3.758 1.00 0.00 O ATOM 544 OD2 ASP A 34 -20.390 -3.802 -2.563 1.00 0.00 O ATOM 0 H ASP A 34 -18.203 -4.225 -1.008 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.385 -2.007 -2.595 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.581 -2.359 -0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.328 -0.918 -1.540 1.00 0.00 H new ATOM 549 N VAL A 35 -15.849 -0.822 -1.005 1.00 0.00 N ATOM 550 CA VAL A 35 -15.373 0.363 -0.322 1.00 0.00 C ATOM 551 C VAL A 35 -16.352 1.491 -0.638 1.00 0.00 C ATOM 552 O VAL A 35 -17.499 1.270 -1.009 1.00 0.00 O ATOM 553 CB VAL A 35 -13.912 0.699 -0.654 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.221 1.510 0.457 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.021 -0.527 -0.762 1.00 0.00 C ATOM 0 H VAL A 35 -15.333 -1.048 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.351 0.195 0.755 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.003 1.241 -1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.191 1.719 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.753 2.449 0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.229 0.937 1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.003 -0.217 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.026 -1.065 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.394 -1.180 -1.551 1.00 0.00 H new ATOM 565 N VAL A 36 -15.979 2.709 -0.312 1.00 0.00 N ATOM 566 CA VAL A 36 -16.870 3.819 -0.081 1.00 0.00 C ATOM 567 C VAL A 36 -15.920 4.980 0.175 1.00 0.00 C ATOM 568 O VAL A 36 -16.192 6.068 -0.291 1.00 0.00 O ATOM 569 CB VAL A 36 -17.652 3.594 1.205 1.00 0.00 C ATOM 570 CG1 VAL A 36 -16.874 3.208 2.433 1.00 0.00 C ATOM 571 CG2 VAL A 36 -18.772 4.551 1.563 1.00 0.00 C ATOM 0 H VAL A 36 -14.998 2.962 -0.196 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.571 3.968 -0.902 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.155 2.695 0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -17.558 3.081 3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -16.346 2.272 2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -16.153 3.991 2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.223 4.246 2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.371 5.560 1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -19.528 4.536 0.778 1.00 0.00 H new ATOM 581 N TYR A 37 -14.823 4.789 0.908 1.00 0.00 N ATOM 582 CA TYR A 37 -13.919 5.878 1.254 1.00 0.00 C ATOM 583 C TYR A 37 -12.508 5.355 1.496 1.00 0.00 C ATOM 584 O TYR A 37 -12.325 4.209 1.908 1.00 0.00 O ATOM 585 CB TYR A 37 -14.460 6.577 2.502 1.00 0.00 C ATOM 586 CG TYR A 37 -13.622 7.780 2.898 1.00 0.00 C ATOM 587 CD1 TYR A 37 -13.528 8.867 2.005 1.00 0.00 C ATOM 588 CD2 TYR A 37 -12.852 7.752 4.074 1.00 0.00 C ATOM 589 CE1 TYR A 37 -12.677 9.946 2.284 1.00 0.00 C ATOM 590 CE2 TYR A 37 -11.993 8.827 4.341 1.00 0.00 C ATOM 591 CZ TYR A 37 -11.904 9.928 3.461 1.00 0.00 C ATOM 592 OH TYR A 37 -11.063 10.955 3.755 1.00 0.00 O ATOM 0 H TYR A 37 -14.540 3.880 1.275 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.865 6.587 0.428 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.486 6.896 2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.488 5.868 3.330 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.116 8.869 1.099 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.921 6.919 4.758 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.615 10.782 1.603 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.388 8.813 5.236 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.611 10.774 4.606 1.00 0.00 H new ATOM 602 N VAL A 38 -11.513 6.200 1.237 1.00 0.00 N ATOM 603 CA VAL A 38 -10.120 5.928 1.549 1.00 0.00 C ATOM 604 C VAL A 38 -9.577 7.178 2.195 1.00 0.00 C ATOM 605 O VAL A 38 -9.788 8.294 1.706 1.00 0.00 O ATOM 606 CB VAL A 38 -9.369 5.514 0.267 1.00 0.00 C ATOM 607 CG1 VAL A 38 -7.868 5.262 0.474 1.00 0.00 C ATOM 608 CG2 VAL A 38 -9.999 4.310 -0.464 1.00 0.00 C ATOM 0 H VAL A 38 -11.659 7.108 0.796 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.995 5.093 2.239 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.475 6.391 -0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.413 4.976 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.394 6.171 0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.730 4.460 1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.415 4.079 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.007 3.445 0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.021 4.554 -0.753 1.00 0.00 H new ATOM 618 N ASP A 39 -8.871 6.959 3.298 1.00 0.00 N ATOM 619 CA ASP A 39 -8.077 7.957 3.959 1.00 0.00 C ATOM 620 C ASP A 39 -6.665 7.908 3.425 1.00 0.00 C ATOM 621 O ASP A 39 -6.135 6.820 3.207 1.00 0.00 O ATOM 622 CB ASP A 39 -8.064 7.700 5.475 1.00 0.00 C ATOM 623 CG ASP A 39 -7.166 8.686 6.206 1.00 0.00 C ATOM 624 OD1 ASP A 39 -7.530 9.887 6.262 1.00 0.00 O ATOM 625 OD2 ASP A 39 -6.146 8.259 6.775 1.00 0.00 O ATOM 0 H ASP A 39 -8.842 6.051 3.762 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.507 8.941 3.770 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.079 7.774 5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.722 6.683 5.669 1.00 0.00 H new ATOM 630 N LEU A 40 -6.080 9.079 3.179 1.00 0.00 N ATOM 631 CA LEU A 40 -4.762 9.227 2.599 1.00 0.00 C ATOM 632 C LEU A 40 -3.993 10.312 3.367 1.00 0.00 C ATOM 633 O LEU A 40 -4.602 11.260 3.869 1.00 0.00 O ATOM 634 CB LEU A 40 -4.855 9.613 1.117 1.00 0.00 C ATOM 635 CG LEU A 40 -5.440 8.589 0.125 1.00 0.00 C ATOM 636 CD1 LEU A 40 -4.819 7.188 0.198 1.00 0.00 C ATOM 637 CD2 LEU A 40 -6.954 8.604 0.000 1.00 0.00 C ATOM 0 H LEU A 40 -6.529 9.971 3.386 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.238 8.274 2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.454 10.521 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.851 9.867 0.777 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.104 8.968 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.296 6.540 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.751 7.252 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.968 6.776 1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.267 7.849 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.401 8.387 0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.281 9.587 -0.339 1.00 0.00 H new ATOM 649 N PRO A 41 -2.658 10.202 3.458 1.00 0.00 N ATOM 650 CA PRO A 41 -1.824 11.069 4.292 1.00 0.00 C ATOM 651 C PRO A 41 -1.527 12.455 3.676 1.00 0.00 C ATOM 652 O PRO A 41 -2.033 12.832 2.618 1.00 0.00 O ATOM 653 CB PRO A 41 -0.562 10.248 4.560 1.00 0.00 C ATOM 654 CG PRO A 41 -0.482 9.223 3.426 1.00 0.00 C ATOM 655 CD PRO A 41 -1.893 9.101 2.889 1.00 0.00 C ATOM 0 HA PRO A 41 -2.343 11.338 5.212 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.323 10.885 4.575 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.616 9.754 5.530 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.207 9.552 2.648 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.117 8.263 3.790 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.897 9.150 1.800 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.331 8.142 3.167 1.00 0.00 H new ATOM 663 N GLU A 42 -0.673 13.251 4.325 1.00 0.00 N ATOM 664 CA GLU A 42 -0.105 14.461 3.739 1.00 0.00 C ATOM 665 C GLU A 42 1.133 14.185 2.886 1.00 0.00 C ATOM 666 O GLU A 42 1.798 13.175 3.063 1.00 0.00 O ATOM 667 CB GLU A 42 0.248 15.454 4.852 1.00 0.00 C ATOM 668 CG GLU A 42 -0.841 16.527 4.918 1.00 0.00 C ATOM 669 CD GLU A 42 -1.916 16.148 5.928 1.00 0.00 C ATOM 670 OE1 GLU A 42 -1.574 16.027 7.124 1.00 0.00 O ATOM 671 OE2 GLU A 42 -3.096 15.968 5.548 1.00 0.00 O ATOM 0 H GLU A 42 -0.356 13.070 5.278 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.862 14.882 3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.327 14.937 5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.218 15.912 4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.398 17.484 5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.290 16.656 3.933 1.00 0.00 H new ATOM 678 N VAL A 43 1.504 15.135 2.025 1.00 0.00 N ATOM 679 CA VAL A 43 2.537 15.032 0.987 1.00 0.00 C ATOM 680 C VAL A 43 3.945 15.366 1.542 1.00 0.00 C ATOM 681 O VAL A 43 4.900 15.662 0.823 1.00 0.00 O ATOM 682 CB VAL A 43 2.043 15.893 -0.206 1.00 0.00 C ATOM 683 CG1 VAL A 43 2.642 17.295 -0.275 1.00 0.00 C ATOM 684 CG2 VAL A 43 2.263 15.197 -1.545 1.00 0.00 C ATOM 0 H VAL A 43 1.065 16.055 2.033 1.00 0.00 H new ATOM 0 HA VAL A 43 2.675 14.012 0.627 1.00 0.00 H new ATOM 0 HB VAL A 43 0.976 16.008 -0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.238 17.821 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.391 17.843 0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.726 17.224 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.902 15.836 -2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.327 15.003 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.717 14.253 -1.559 1.00 0.00 H new ATOM 694 N GLY A 44 4.061 15.356 2.863 1.00 0.00 N ATOM 695 CA GLY A 44 5.255 15.662 3.634 1.00 0.00 C ATOM 696 C GLY A 44 5.294 14.913 4.966 1.00 0.00 C ATOM 697 O GLY A 44 6.113 15.245 5.826 1.00 0.00 O ATOM 0 H GLY A 44 3.271 15.118 3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.138 15.405 3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.298 16.735 3.822 1.00 0.00 H new ATOM 701 N ARG A 45 4.393 13.945 5.177 1.00 0.00 N ATOM 702 CA ARG A 45 4.276 13.225 6.441 1.00 0.00 C ATOM 703 C ARG A 45 5.338 12.134 6.481 1.00 0.00 C ATOM 704 O ARG A 45 5.450 11.369 5.523 1.00 0.00 O ATOM 705 CB ARG A 45 2.865 12.632 6.563 1.00 0.00 C ATOM 706 CG ARG A 45 2.574 12.220 8.012 1.00 0.00 C ATOM 707 CD ARG A 45 1.267 11.438 8.095 1.00 0.00 C ATOM 708 NE ARG A 45 0.859 11.208 9.492 1.00 0.00 N ATOM 709 CZ ARG A 45 0.057 11.993 10.225 1.00 0.00 C ATOM 710 NH1 ARG A 45 -0.607 13.006 9.689 1.00 0.00 N ATOM 711 NH2 ARG A 45 -0.056 11.780 11.528 1.00 0.00 N ATOM 0 H ARG A 45 3.724 13.642 4.469 1.00 0.00 H new ATOM 0 HA ARG A 45 4.433 13.899 7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.128 13.364 6.233 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.771 11.766 5.907 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.393 11.611 8.394 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.514 13.107 8.643 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.482 11.984 7.572 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.383 10.481 7.587 1.00 0.00 H new ATOM 0 HE ARG A 45 1.222 10.370 9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.515 13.206 8.693 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.210 13.586 10.272 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.466 11.022 11.968 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.665 12.374 12.091 1.00 0.00 H new ATOM 725 N GLU A 46 6.112 12.040 7.556 1.00 0.00 N ATOM 726 CA GLU A 46 7.000 10.897 7.742 1.00 0.00 C ATOM 727 C GLU A 46 6.163 9.699 8.171 1.00 0.00 C ATOM 728 O GLU A 46 5.129 9.871 8.823 1.00 0.00 O ATOM 729 CB GLU A 46 8.066 11.193 8.802 1.00 0.00 C ATOM 730 CG GLU A 46 9.490 11.249 8.223 1.00 0.00 C ATOM 731 CD GLU A 46 10.450 10.388 9.060 1.00 0.00 C ATOM 732 OE1 GLU A 46 10.432 10.514 10.308 1.00 0.00 O ATOM 733 OE2 GLU A 46 11.162 9.527 8.498 1.00 0.00 O ATOM 0 H GLU A 46 6.144 12.732 8.304 1.00 0.00 H new ATOM 0 HA GLU A 46 7.513 10.686 6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.838 12.144 9.283 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.024 10.426 9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.483 10.897 7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.841 12.281 8.205 1.00 0.00 H new ATOM 740 N VAL A 47 6.620 8.495 7.834 1.00 0.00 N ATOM 741 CA VAL A 47 5.979 7.238 8.182 1.00 0.00 C ATOM 742 C VAL A 47 7.050 6.187 8.487 1.00 0.00 C ATOM 743 O VAL A 47 8.223 6.334 8.130 1.00 0.00 O ATOM 744 CB VAL A 47 5.036 6.794 7.046 1.00 0.00 C ATOM 745 CG1 VAL A 47 4.028 7.895 6.695 1.00 0.00 C ATOM 746 CG2 VAL A 47 5.765 6.393 5.758 1.00 0.00 C ATOM 0 H VAL A 47 7.475 8.368 7.293 1.00 0.00 H new ATOM 0 HA VAL A 47 5.370 7.364 9.077 1.00 0.00 H new ATOM 0 HB VAL A 47 4.528 5.913 7.439 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.378 7.550 5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.426 8.130 7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.563 8.788 6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.036 6.093 5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.341 7.241 5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.437 5.560 5.965 1.00 0.00 H new ATOM 756 N LYS A 48 6.647 5.078 9.098 1.00 0.00 N ATOM 757 CA LYS A 48 7.495 3.937 9.407 1.00 0.00 C ATOM 758 C LYS A 48 6.940 2.742 8.668 1.00 0.00 C ATOM 759 O LYS A 48 5.786 2.781 8.253 1.00 0.00 O ATOM 760 CB LYS A 48 7.456 3.673 10.912 1.00 0.00 C ATOM 761 CG LYS A 48 8.161 4.815 11.639 1.00 0.00 C ATOM 762 CD LYS A 48 7.851 4.844 13.126 1.00 0.00 C ATOM 763 CE LYS A 48 8.609 3.784 13.920 1.00 0.00 C ATOM 764 NZ LYS A 48 8.225 3.866 15.341 1.00 0.00 N ATOM 0 H LYS A 48 5.683 4.946 9.403 1.00 0.00 H new ATOM 0 HA LYS A 48 8.526 4.127 9.108 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.424 3.591 11.253 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.943 2.725 11.140 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.238 4.720 11.498 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.864 5.763 11.192 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.096 5.829 13.522 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.780 4.700 13.270 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.385 2.792 13.528 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.683 3.934 13.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.741 3.144 15.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.460 4.809 15.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.202 3.703 15.434 1.00 0.00 H new ATOM 778 N LYS A 49 7.687 1.643 8.661 1.00 0.00 N ATOM 779 CA LYS A 49 7.283 0.339 8.133 1.00 0.00 C ATOM 780 C LYS A 49 6.090 -0.342 8.827 1.00 0.00 C ATOM 781 O LYS A 49 5.893 -1.552 8.702 1.00 0.00 O ATOM 782 CB LYS A 49 8.517 -0.558 8.160 1.00 0.00 C ATOM 783 CG LYS A 49 8.847 -1.018 9.590 1.00 0.00 C ATOM 784 CD LYS A 49 10.323 -1.366 9.666 1.00 0.00 C ATOM 785 CE LYS A 49 10.645 -2.156 10.923 1.00 0.00 C ATOM 786 NZ LYS A 49 11.986 -2.760 10.834 1.00 0.00 N ATOM 0 H LYS A 49 8.634 1.634 9.040 1.00 0.00 H new ATOM 0 HA LYS A 49 6.906 0.509 7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.349 -1.429 7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.369 -0.020 7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.608 -0.230 10.304 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.241 -1.884 9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.607 -1.946 8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.915 -0.451 9.649 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.594 -1.501 11.793 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.899 -2.937 11.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.422 -2.778 11.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.906 -3.731 10.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.578 -2.197 10.190 1.00 0.00 H new ATOM 800 N GLY A 50 5.332 0.411 9.607 1.00 0.00 N ATOM 801 CA GLY A 50 4.039 0.038 10.119 1.00 0.00 C ATOM 802 C GLY A 50 3.420 1.283 10.735 1.00 0.00 C ATOM 803 O GLY A 50 3.591 1.531 11.927 1.00 0.00 O ATOM 0 H GLY A 50 5.622 1.341 9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.407 -0.350 9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.134 -0.752 10.863 1.00 0.00 H new ATOM 807 N GLU A 51 2.736 2.099 9.938 1.00 0.00 N ATOM 808 CA GLU A 51 2.045 3.316 10.348 1.00 0.00 C ATOM 809 C GLU A 51 0.706 3.356 9.611 1.00 0.00 C ATOM 810 O GLU A 51 0.723 3.197 8.393 1.00 0.00 O ATOM 811 CB GLU A 51 2.927 4.522 9.971 1.00 0.00 C ATOM 812 CG GLU A 51 3.654 5.145 11.169 1.00 0.00 C ATOM 813 CD GLU A 51 3.343 6.630 11.402 1.00 0.00 C ATOM 814 OE1 GLU A 51 2.150 7.006 11.530 1.00 0.00 O ATOM 815 OE2 GLU A 51 4.318 7.402 11.539 1.00 0.00 O ATOM 0 H GLU A 51 2.645 1.919 8.938 1.00 0.00 H new ATOM 0 HA GLU A 51 1.863 3.343 11.422 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.664 4.207 9.233 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.306 5.282 9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.391 4.587 12.067 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.728 5.030 11.025 1.00 0.00 H new ATOM 822 N VAL A 52 -0.415 3.551 10.321 1.00 0.00 N ATOM 823 CA VAL A 52 -1.814 3.510 9.831 1.00 0.00 C ATOM 824 C VAL A 52 -2.148 4.741 8.957 1.00 0.00 C ATOM 825 O VAL A 52 -3.224 5.324 9.002 1.00 0.00 O ATOM 826 CB VAL A 52 -2.783 3.231 11.023 1.00 0.00 C ATOM 827 CG1 VAL A 52 -4.279 3.505 10.804 1.00 0.00 C ATOM 828 CG2 VAL A 52 -2.569 1.787 11.502 1.00 0.00 C ATOM 0 H VAL A 52 -0.373 3.756 11.319 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.952 2.674 9.146 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.512 3.970 11.777 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.830 3.267 11.714 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.424 4.557 10.557 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.646 2.886 9.985 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.240 1.577 12.335 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.779 1.098 10.684 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.536 1.661 11.827 1.00 0.00 H new ATOM 838 N VAL A 53 -1.218 5.198 8.134 1.00 0.00 N ATOM 839 CA VAL A 53 -1.344 6.454 7.413 1.00 0.00 C ATOM 840 C VAL A 53 -2.143 6.315 6.116 1.00 0.00 C ATOM 841 O VAL A 53 -1.890 7.078 5.191 1.00 0.00 O ATOM 842 CB VAL A 53 0.054 7.057 7.205 1.00 0.00 C ATOM 843 CG1 VAL A 53 0.620 7.466 8.565 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.997 6.123 6.425 1.00 0.00 C ATOM 0 H VAL A 53 -0.346 4.703 7.946 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.930 7.149 8.015 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.034 7.943 6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.613 7.896 8.432 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.036 8.205 9.025 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.688 6.589 9.209 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.969 6.602 6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.116 5.187 6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.574 5.917 5.442 1.00 0.00 H new ATOM 854 N ALA A 54 -3.079 5.368 6.021 1.00 0.00 N ATOM 855 CA ALA A 54 -4.029 5.291 4.921 1.00 0.00 C ATOM 856 C ALA A 54 -5.124 4.296 5.283 1.00 0.00 C ATOM 857 O ALA A 54 -5.216 3.217 4.701 1.00 0.00 O ATOM 858 CB ALA A 54 -3.320 4.876 3.625 1.00 0.00 C ATOM 0 H ALA A 54 -3.196 4.629 6.714 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.475 6.271 4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.046 4.824 2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.553 5.610 3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.857 3.899 3.761 1.00 0.00 H new ATOM 864 N SER A 55 -5.939 4.606 6.283 1.00 0.00 N ATOM 865 CA SER A 55 -7.083 3.760 6.578 1.00 0.00 C ATOM 866 C SER A 55 -7.989 3.654 5.354 1.00 0.00 C ATOM 867 O SER A 55 -8.128 4.590 4.577 1.00 0.00 O ATOM 868 CB SER A 55 -7.812 4.363 7.772 1.00 0.00 C ATOM 869 OG SER A 55 -7.031 4.282 8.950 1.00 0.00 O ATOM 0 H SER A 55 -5.832 5.419 6.890 1.00 0.00 H new ATOM 0 HA SER A 55 -6.765 2.747 6.824 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.053 5.406 7.564 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.757 3.842 7.924 1.00 0.00 H new ATOM 0 HG SER A 55 -7.525 4.678 9.698 1.00 0.00 H new ATOM 875 N ILE A 56 -8.668 2.533 5.179 1.00 0.00 N ATOM 876 CA ILE A 56 -9.637 2.369 4.105 1.00 0.00 C ATOM 877 C ILE A 56 -10.934 2.020 4.809 1.00 0.00 C ATOM 878 O ILE A 56 -11.039 0.936 5.381 1.00 0.00 O ATOM 879 CB ILE A 56 -9.181 1.272 3.115 1.00 0.00 C ATOM 880 CG1 ILE A 56 -7.690 1.311 2.763 1.00 0.00 C ATOM 881 CG2 ILE A 56 -9.999 1.456 1.834 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.256 0.115 1.916 1.00 0.00 C ATOM 0 H ILE A 56 -8.565 1.712 5.775 1.00 0.00 H new ATOM 0 HA ILE A 56 -9.751 3.266 3.496 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.343 0.307 3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.472 2.232 2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.104 1.333 3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -9.708 0.700 1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.060 1.352 2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.812 2.448 1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.191 0.193 1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.447 -0.808 2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.820 0.106 0.983 1.00 0.00 H new ATOM 894 N GLU A 57 -11.908 2.912 4.838 1.00 0.00 N ATOM 895 CA GLU A 57 -13.179 2.635 5.432 1.00 0.00 C ATOM 896 C GLU A 57 -13.991 2.043 4.306 1.00 0.00 C ATOM 897 O GLU A 57 -14.088 2.651 3.254 1.00 0.00 O ATOM 898 CB GLU A 57 -13.785 3.926 5.967 1.00 0.00 C ATOM 899 CG GLU A 57 -14.046 3.881 7.475 1.00 0.00 C ATOM 900 CD GLU A 57 -13.137 4.728 8.381 1.00 0.00 C ATOM 901 OE1 GLU A 57 -11.958 4.972 8.045 1.00 0.00 O ATOM 902 OE2 GLU A 57 -13.626 5.151 9.457 1.00 0.00 O ATOM 0 H GLU A 57 -11.827 3.850 4.445 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.130 1.954 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.115 4.756 5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -14.722 4.125 5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -15.076 4.193 7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.969 2.843 7.798 1.00 0.00 H new ATOM 909 N SER A 58 -14.532 0.857 4.491 1.00 0.00 N ATOM 910 CA SER A 58 -15.459 0.278 3.557 1.00 0.00 C ATOM 911 C SER A 58 -16.865 0.414 4.091 1.00 0.00 C ATOM 912 O SER A 58 -17.112 0.954 5.178 1.00 0.00 O ATOM 913 CB SER A 58 -15.039 -1.154 3.249 1.00 0.00 C ATOM 914 OG SER A 58 -15.042 -1.904 4.444 1.00 0.00 O ATOM 0 H SER A 58 -14.336 0.268 5.301 1.00 0.00 H new ATOM 0 HA SER A 58 -15.446 0.809 2.605 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.722 -1.598 2.525 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.046 -1.166 2.800 1.00 0.00 H new ATOM 0 HG SER A 58 -14.932 -2.855 4.234 1.00 0.00 H new ATOM 920 N VAL A 59 -17.787 -0.098 3.289 1.00 0.00 N ATOM 921 CA VAL A 59 -19.200 -0.120 3.541 1.00 0.00 C ATOM 922 C VAL A 59 -19.460 -0.638 4.967 1.00 0.00 C ATOM 923 O VAL A 59 -20.342 -0.096 5.648 1.00 0.00 O ATOM 924 CB VAL A 59 -19.795 -0.922 2.362 1.00 0.00 C ATOM 925 CG1 VAL A 59 -19.901 -2.423 2.623 1.00 0.00 C ATOM 926 CG2 VAL A 59 -21.021 -0.320 1.709 1.00 0.00 C ATOM 0 H VAL A 59 -17.544 -0.531 2.398 1.00 0.00 H new ATOM 0 HA VAL A 59 -19.697 0.850 3.555 1.00 0.00 H new ATOM 0 HB VAL A 59 -19.034 -0.820 1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -20.328 -2.915 1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -18.909 -2.829 2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -20.542 -2.598 3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -21.353 -0.965 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -21.818 -0.227 2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -20.776 0.666 1.314 1.00 0.00 H new ATOM 936 N LYS A 60 -18.632 -1.573 5.487 1.00 0.00 N ATOM 937 CA LYS A 60 -18.787 -2.049 6.856 1.00 0.00 C ATOM 938 C LYS A 60 -17.525 -2.471 7.617 1.00 0.00 C ATOM 939 O LYS A 60 -17.658 -2.938 8.752 1.00 0.00 O ATOM 940 CB LYS A 60 -19.881 -3.133 6.877 1.00 0.00 C ATOM 941 CG LYS A 60 -21.077 -2.650 7.704 1.00 0.00 C ATOM 942 CD LYS A 60 -22.323 -3.493 7.456 1.00 0.00 C ATOM 943 CE LYS A 60 -23.482 -2.850 8.220 1.00 0.00 C ATOM 944 NZ LYS A 60 -24.783 -3.324 7.727 1.00 0.00 N ATOM 0 H LYS A 60 -17.861 -2.001 4.975 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.082 -1.172 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -20.199 -3.361 5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -19.483 -4.055 7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -20.822 -2.683 8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -21.289 -1.609 7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -22.547 -3.539 6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -22.165 -4.517 7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -23.390 -3.078 9.282 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -23.427 -1.766 8.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -25.546 -2.868 8.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -24.881 -3.084 6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -24.844 -4.355 7.845 1.00 0.00 H new ATOM 958 N ALA A 61 -16.319 -2.297 7.080 1.00 0.00 N ATOM 959 CA ALA A 61 -15.074 -2.501 7.822 1.00 0.00 C ATOM 960 C ALA A 61 -14.282 -1.198 7.818 1.00 0.00 C ATOM 961 O ALA A 61 -14.570 -0.307 7.017 1.00 0.00 O ATOM 962 CB ALA A 61 -14.251 -3.614 7.171 1.00 0.00 C ATOM 0 H ALA A 61 -16.176 -2.009 6.112 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.301 -2.793 8.847 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.327 -3.758 7.731 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.825 -4.541 7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.014 -3.338 6.144 1.00 0.00 H new ATOM 968 N ALA A 62 -13.219 -1.145 8.610 1.00 0.00 N ATOM 969 CA ALA A 62 -12.041 -0.347 8.302 1.00 0.00 C ATOM 970 C ALA A 62 -10.878 -1.316 8.098 1.00 0.00 C ATOM 971 O ALA A 62 -10.839 -2.390 8.712 1.00 0.00 O ATOM 972 CB ALA A 62 -11.739 0.665 9.411 1.00 0.00 C ATOM 0 H ALA A 62 -13.150 -1.658 9.489 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.209 0.240 7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.853 1.242 9.146 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.588 1.338 9.531 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.560 0.136 10.347 1.00 0.00 H new ATOM 978 N ALA A 63 -9.933 -0.943 7.243 1.00 0.00 N ATOM 979 CA ALA A 63 -8.666 -1.628 7.059 1.00 0.00 C ATOM 980 C ALA A 63 -7.585 -0.562 6.975 1.00 0.00 C ATOM 981 O ALA A 63 -7.268 -0.065 5.897 1.00 0.00 O ATOM 982 CB ALA A 63 -8.702 -2.535 5.827 1.00 0.00 C ATOM 0 H ALA A 63 -10.035 -0.127 6.640 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.454 -2.291 7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.740 -3.035 5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.487 -3.282 5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.905 -1.935 4.940 1.00 0.00 H new ATOM 988 N ASP A 64 -7.062 -0.203 8.138 1.00 0.00 N ATOM 989 CA ASP A 64 -5.814 0.474 8.388 1.00 0.00 C ATOM 990 C ASP A 64 -4.769 -0.095 7.432 1.00 0.00 C ATOM 991 O ASP A 64 -4.527 -1.308 7.440 1.00 0.00 O ATOM 992 CB ASP A 64 -5.344 0.200 9.841 1.00 0.00 C ATOM 993 CG ASP A 64 -6.183 -0.765 10.717 1.00 0.00 C ATOM 994 OD1 ASP A 64 -7.417 -0.621 10.840 1.00 0.00 O ATOM 995 OD2 ASP A 64 -5.625 -1.775 11.218 1.00 0.00 O ATOM 0 H ASP A 64 -7.554 -0.401 9.009 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.942 1.547 8.244 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.328 -0.193 9.793 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.291 1.158 10.359 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.188 0.754 6.591 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.038 0.350 5.779 1.00 0.00 C ATOM 1002 C VAL A 65 -1.781 0.757 6.533 1.00 0.00 C ATOM 1003 O VAL A 65 -1.711 1.874 7.045 1.00 0.00 O ATOM 1004 CB VAL A 65 -3.090 0.997 4.396 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -1.894 0.602 3.524 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.353 0.552 3.661 1.00 0.00 C ATOM 0 H VAL A 65 -4.489 1.719 6.452 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.046 -0.728 5.618 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.077 2.075 4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.977 1.087 2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.970 0.917 4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.883 -0.480 3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.384 1.017 2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.347 -0.532 3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.231 0.853 4.232 1.00 0.00 H new ATOM 1016 N TYR A 66 -0.779 -0.119 6.579 1.00 0.00 N ATOM 1017 CA TYR A 66 0.387 0.050 7.413 1.00 0.00 C ATOM 1018 C TYR A 66 1.611 0.258 6.547 1.00 0.00 C ATOM 1019 O TYR A 66 2.224 -0.724 6.133 1.00 0.00 O ATOM 1020 CB TYR A 66 0.599 -1.179 8.287 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.507 -1.475 9.259 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -0.492 -0.912 10.546 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -1.536 -2.344 8.868 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -1.475 -1.296 11.479 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -2.524 -2.715 9.783 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.485 -2.211 11.099 1.00 0.00 C ATOM 1027 OH TYR A 66 -3.401 -2.637 12.004 1.00 0.00 O ATOM 0 H TYR A 66 -0.764 -0.976 6.026 1.00 0.00 H new ATOM 0 HA TYR A 66 0.232 0.921 8.050 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.733 -2.046 7.640 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.526 -1.052 8.845 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.266 -0.192 10.817 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.565 -2.727 7.858 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.458 -0.893 12.481 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.315 -3.386 9.483 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.225 -2.116 11.905 1.00 0.00 H new ATOM 1037 N ALA A 67 2.002 1.525 6.383 1.00 0.00 N ATOM 1038 CA ALA A 67 3.096 1.957 5.515 1.00 0.00 C ATOM 1039 C ALA A 67 4.225 0.923 5.454 1.00 0.00 C ATOM 1040 O ALA A 67 4.725 0.537 6.505 1.00 0.00 O ATOM 1041 CB ALA A 67 3.656 3.297 5.985 1.00 0.00 C ATOM 0 H ALA A 67 1.550 2.301 6.867 1.00 0.00 H new ATOM 0 HA ALA A 67 2.683 2.065 4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.469 3.602 5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.868 4.049 5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.031 3.197 7.003 1.00 0.00 H new ATOM 1047 N PRO A 68 4.619 0.441 4.267 1.00 0.00 N ATOM 1048 CA PRO A 68 5.311 -0.835 4.152 1.00 0.00 C ATOM 1049 C PRO A 68 6.785 -0.794 4.567 1.00 0.00 C ATOM 1050 O PRO A 68 7.356 -1.840 4.877 1.00 0.00 O ATOM 1051 CB PRO A 68 5.178 -1.197 2.672 1.00 0.00 C ATOM 1052 CG PRO A 68 5.078 0.153 1.967 1.00 0.00 C ATOM 1053 CD PRO A 68 4.229 0.936 2.958 1.00 0.00 C ATOM 0 HA PRO A 68 4.872 -1.567 4.830 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.039 -1.767 2.322 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.295 -1.809 2.489 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.055 0.610 1.810 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.603 0.073 0.989 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.410 2.007 2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.166 0.777 2.778 1.00 0.00 H new ATOM 1061 N LEU A 69 7.415 0.381 4.511 1.00 0.00 N ATOM 1062 CA LEU A 69 8.830 0.643 4.754 1.00 0.00 C ATOM 1063 C LEU A 69 8.917 1.969 5.506 1.00 0.00 C ATOM 1064 O LEU A 69 8.035 2.806 5.329 1.00 0.00 O ATOM 1065 CB LEU A 69 9.550 0.851 3.410 1.00 0.00 C ATOM 1066 CG LEU A 69 10.035 -0.355 2.604 1.00 0.00 C ATOM 1067 CD1 LEU A 69 10.969 -1.247 3.421 1.00 0.00 C ATOM 1068 CD2 LEU A 69 8.926 -1.176 1.945 1.00 0.00 C ATOM 0 H LEU A 69 6.910 1.236 4.277 1.00 0.00 H new ATOM 0 HA LEU A 69 9.277 -0.185 5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.878 1.420 2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.418 1.482 3.602 1.00 0.00 H new ATOM 0 HG LEU A 69 10.599 0.080 1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.290 -2.092 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.841 -0.672 3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.443 -1.615 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.367 -2.009 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.254 -1.562 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.366 -0.544 1.256 1.00 0.00 H new ATOM 1080 N SER A 70 9.981 2.249 6.251 1.00 0.00 N ATOM 1081 CA SER A 70 10.160 3.582 6.820 1.00 0.00 C ATOM 1082 C SER A 70 10.580 4.573 5.732 1.00 0.00 C ATOM 1083 O SER A 70 11.351 4.219 4.832 1.00 0.00 O ATOM 1084 CB SER A 70 11.162 3.510 7.959 1.00 0.00 C ATOM 1085 OG SER A 70 10.762 2.538 8.914 1.00 0.00 O ATOM 0 H SER A 70 10.722 1.584 6.473 1.00 0.00 H new ATOM 0 HA SER A 70 9.217 3.945 7.227 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.148 3.260 7.568 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.247 4.485 8.438 1.00 0.00 H new ATOM 0 HG SER A 70 11.419 2.503 9.640 1.00 0.00 H new ATOM 1091 N GLY A 71 10.016 5.784 5.757 1.00 0.00 N ATOM 1092 CA GLY A 71 10.076 6.727 4.646 1.00 0.00 C ATOM 1093 C GLY A 71 9.220 7.963 4.905 1.00 0.00 C ATOM 1094 O GLY A 71 8.786 8.200 6.032 1.00 0.00 O ATOM 0 H GLY A 71 9.499 6.138 6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.110 7.029 4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.738 6.236 3.734 1.00 0.00 H new ATOM 1098 N LYS A 72 8.936 8.756 3.869 1.00 0.00 N ATOM 1099 CA LYS A 72 8.053 9.927 3.966 1.00 0.00 C ATOM 1100 C LYS A 72 7.151 9.984 2.743 1.00 0.00 C ATOM 1101 O LYS A 72 7.614 9.749 1.632 1.00 0.00 O ATOM 1102 CB LYS A 72 8.898 11.205 4.103 1.00 0.00 C ATOM 1103 CG LYS A 72 8.078 12.510 4.199 1.00 0.00 C ATOM 1104 CD LYS A 72 8.675 13.702 3.438 1.00 0.00 C ATOM 1105 CE LYS A 72 9.187 14.758 4.414 1.00 0.00 C ATOM 1106 NZ LYS A 72 9.624 15.971 3.703 1.00 0.00 N ATOM 0 H LYS A 72 9.313 8.605 2.933 1.00 0.00 H new ATOM 0 HA LYS A 72 7.422 9.846 4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.523 11.118 4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.569 11.275 3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.074 12.321 3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.976 12.782 5.250 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.491 13.362 2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.920 14.138 2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.400 15.013 5.124 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.018 14.352 4.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.967 16.672 4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.391 15.729 3.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.823 16.370 3.172 1.00 0.00 H new ATOM 1120 N ILE A 73 5.869 10.272 2.934 1.00 0.00 N ATOM 1121 CA ILE A 73 4.890 10.428 1.866 1.00 0.00 C ATOM 1122 C ILE A 73 5.263 11.647 1.026 1.00 0.00 C ATOM 1123 O ILE A 73 5.749 12.643 1.566 1.00 0.00 O ATOM 1124 CB ILE A 73 3.493 10.630 2.473 1.00 0.00 C ATOM 1125 CG1 ILE A 73 3.139 9.656 3.614 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.389 10.598 1.393 1.00 0.00 C ATOM 1127 CD1 ILE A 73 3.476 8.196 3.335 1.00 0.00 C ATOM 0 H ILE A 73 5.471 10.407 3.863 1.00 0.00 H new ATOM 0 HA ILE A 73 4.882 9.536 1.240 1.00 0.00 H new ATOM 0 HB ILE A 73 3.537 11.623 2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.664 9.969 4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.072 9.735 3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.416 10.744 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.566 11.393 0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.405 9.634 0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.192 7.587 4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.931 7.859 2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.547 8.097 3.159 1.00 0.00 H new ATOM 1139 N VAL A 74 4.989 11.580 -0.279 1.00 0.00 N ATOM 1140 CA VAL A 74 5.249 12.656 -1.229 1.00 0.00 C ATOM 1141 C VAL A 74 4.221 12.637 -2.376 1.00 0.00 C ATOM 1142 O VAL A 74 4.329 13.414 -3.330 1.00 0.00 O ATOM 1143 CB VAL A 74 6.691 12.504 -1.779 1.00 0.00 C ATOM 1144 CG1 VAL A 74 7.772 12.898 -0.765 1.00 0.00 C ATOM 1145 CG2 VAL A 74 7.005 11.076 -2.273 1.00 0.00 C ATOM 0 H VAL A 74 4.571 10.756 -0.711 1.00 0.00 H new ATOM 0 HA VAL A 74 5.154 13.616 -0.722 1.00 0.00 H new ATOM 0 HB VAL A 74 6.717 13.195 -2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.757 12.768 -1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.639 13.941 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.690 12.265 0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.029 11.037 -2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.891 10.372 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.317 10.809 -3.075 1.00 0.00 H new ATOM 1155 N GLU A 75 3.211 11.762 -2.322 1.00 0.00 N ATOM 1156 CA GLU A 75 2.098 11.736 -3.263 1.00 0.00 C ATOM 1157 C GLU A 75 0.971 10.920 -2.613 1.00 0.00 C ATOM 1158 O GLU A 75 1.241 9.997 -1.837 1.00 0.00 O ATOM 1159 CB GLU A 75 2.555 11.076 -4.580 1.00 0.00 C ATOM 1160 CG GLU A 75 2.506 11.996 -5.803 1.00 0.00 C ATOM 1161 CD GLU A 75 3.125 11.305 -7.028 1.00 0.00 C ATOM 1162 OE1 GLU A 75 4.373 11.204 -7.098 1.00 0.00 O ATOM 1163 OE2 GLU A 75 2.362 10.798 -7.882 1.00 0.00 O ATOM 0 H GLU A 75 3.148 11.039 -1.606 1.00 0.00 H new ATOM 0 HA GLU A 75 1.749 12.743 -3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.575 10.713 -4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.928 10.205 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.473 12.270 -6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.043 12.920 -5.591 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.283 11.215 -2.948 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.455 10.467 -2.495 1.00 0.00 C ATOM 1172 C VAL A 76 -2.429 10.332 -3.671 1.00 0.00 C ATOM 1173 O VAL A 76 -2.362 11.143 -4.599 1.00 0.00 O ATOM 1174 CB VAL A 76 -2.115 11.176 -1.300 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -1.206 11.286 -0.064 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.600 12.577 -1.669 1.00 0.00 C ATOM 0 H VAL A 76 -0.519 11.999 -3.556 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.160 9.473 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.962 10.540 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.741 11.797 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.922 10.288 0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.310 11.851 -0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.060 13.044 -0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.754 13.180 -2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.333 12.508 -2.473 1.00 0.00 H new ATOM 1186 N ASN A 77 -3.338 9.352 -3.642 1.00 0.00 N ATOM 1187 CA ASN A 77 -4.220 9.094 -4.771 1.00 0.00 C ATOM 1188 C ASN A 77 -5.586 9.651 -4.409 1.00 0.00 C ATOM 1189 O ASN A 77 -6.503 8.898 -4.086 1.00 0.00 O ATOM 1190 CB ASN A 77 -4.271 7.594 -5.129 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.688 7.328 -6.573 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.679 8.199 -7.433 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -5.043 6.097 -6.883 1.00 0.00 N ATOM 0 H ASN A 77 -3.478 8.728 -2.847 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.845 9.586 -5.669 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.289 7.153 -4.955 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.969 7.092 -4.459 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.311 5.869 -7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.050 5.372 -6.165 1.00 0.00 H new ATOM 1200 N GLU A 78 -5.758 10.975 -4.481 1.00 0.00 N ATOM 1201 CA GLU A 78 -7.046 11.628 -4.236 1.00 0.00 C ATOM 1202 C GLU A 78 -8.143 11.116 -5.175 1.00 0.00 C ATOM 1203 O GLU A 78 -9.325 11.342 -4.943 1.00 0.00 O ATOM 1204 CB GLU A 78 -6.913 13.151 -4.367 1.00 0.00 C ATOM 1205 CG GLU A 78 -6.385 13.821 -3.094 1.00 0.00 C ATOM 1206 CD GLU A 78 -6.399 15.345 -3.226 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -5.404 15.898 -3.767 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -7.382 15.986 -2.782 1.00 0.00 O ATOM 0 H GLU A 78 -5.006 11.624 -4.711 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.340 11.378 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.243 13.381 -5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.886 13.574 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.995 13.521 -2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.369 13.480 -2.894 1.00 0.00 H new ATOM 1215 N LYS A 79 -7.775 10.365 -6.213 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.695 9.602 -7.047 1.00 0.00 C ATOM 1217 C LYS A 79 -9.622 8.721 -6.207 1.00 0.00 C ATOM 1218 O LYS A 79 -10.761 8.476 -6.606 1.00 0.00 O ATOM 1219 CB LYS A 79 -7.866 8.741 -8.015 1.00 0.00 C ATOM 1220 CG LYS A 79 -7.079 9.591 -9.019 1.00 0.00 C ATOM 1221 CD LYS A 79 -6.619 8.788 -10.246 1.00 0.00 C ATOM 1222 CE LYS A 79 -7.678 8.847 -11.355 1.00 0.00 C ATOM 1223 NZ LYS A 79 -7.713 10.150 -12.053 1.00 0.00 N ATOM 0 H LYS A 79 -6.802 10.270 -6.502 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.331 10.292 -7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.174 8.121 -7.445 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.529 8.065 -8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.700 10.425 -9.348 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.208 10.018 -8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.674 9.187 -10.616 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.438 7.751 -9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.480 8.058 -12.080 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.659 8.646 -10.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.294 10.068 -12.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.124 10.870 -11.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.746 10.430 -12.314 1.00 0.00 H new ATOM 1237 N LEU A 80 -9.147 8.241 -5.061 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.847 7.280 -4.223 1.00 0.00 C ATOM 1239 C LEU A 80 -10.914 7.986 -3.369 1.00 0.00 C ATOM 1240 O LEU A 80 -11.754 7.305 -2.791 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.808 6.500 -3.386 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.921 5.467 -4.131 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -8.484 4.060 -3.969 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -7.798 5.641 -5.647 1.00 0.00 C ATOM 0 H LEU A 80 -8.241 8.519 -4.682 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.387 6.558 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.150 7.224 -2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.340 5.976 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.945 5.630 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.848 3.350 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.515 3.800 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.492 4.022 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.154 4.860 -6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.786 5.569 -6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.367 6.618 -5.867 1.00 0.00 H new ATOM 1256 N ASP A 81 -10.950 9.326 -3.343 1.00 0.00 N ATOM 1257 CA ASP A 81 -12.042 10.117 -2.755 1.00 0.00 C ATOM 1258 C ASP A 81 -13.341 9.954 -3.549 1.00 0.00 C ATOM 1259 O ASP A 81 -14.428 10.052 -2.973 1.00 0.00 O ATOM 1260 CB ASP A 81 -11.672 11.613 -2.755 1.00 0.00 C ATOM 1261 CG ASP A 81 -12.822 12.486 -2.238 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -13.181 12.418 -1.044 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -13.412 13.232 -3.051 1.00 0.00 O ATOM 0 H ASP A 81 -10.207 9.902 -3.738 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.191 9.755 -1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.790 11.769 -2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.408 11.922 -3.766 1.00 0.00 H new ATOM 1268 N THR A 82 -13.235 9.721 -4.866 1.00 0.00 N ATOM 1269 CA THR A 82 -14.374 9.714 -5.784 1.00 0.00 C ATOM 1270 C THR A 82 -14.562 8.360 -6.470 1.00 0.00 C ATOM 1271 O THR A 82 -15.653 8.077 -6.967 1.00 0.00 O ATOM 1272 CB THR A 82 -14.221 10.839 -6.824 1.00 0.00 C ATOM 1273 OG1 THR A 82 -13.147 10.570 -7.710 1.00 0.00 O ATOM 1274 CG2 THR A 82 -14.008 12.207 -6.177 1.00 0.00 C ATOM 0 H THR A 82 -12.344 9.530 -5.324 1.00 0.00 H new ATOM 0 HA THR A 82 -15.272 9.892 -5.193 1.00 0.00 H new ATOM 0 HB THR A 82 -15.158 10.869 -7.381 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.071 11.298 -8.362 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.906 12.965 -6.954 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.863 12.448 -5.545 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.103 12.185 -5.570 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.522 7.526 -6.513 1.00 0.00 N ATOM 1283 CA GLU A 83 -13.526 6.152 -6.996 1.00 0.00 C ATOM 1284 C GLU A 83 -12.709 5.282 -6.020 1.00 0.00 C ATOM 1285 O GLU A 83 -11.644 4.773 -6.370 1.00 0.00 O ATOM 1286 CB GLU A 83 -12.963 6.140 -8.419 1.00 0.00 C ATOM 1287 CG GLU A 83 -13.939 6.657 -9.488 1.00 0.00 C ATOM 1288 CD GLU A 83 -15.042 5.644 -9.780 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -14.722 4.626 -10.418 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -16.215 5.873 -9.375 1.00 0.00 O ATOM 0 H GLU A 83 -12.598 7.814 -6.190 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.533 5.737 -7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.058 6.748 -8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.670 5.121 -8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.384 7.594 -9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.392 6.875 -10.405 1.00 0.00 H new ATOM 1297 N PRO A 84 -13.183 5.087 -4.778 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.600 4.136 -3.837 1.00 0.00 C ATOM 1299 C PRO A 84 -12.762 2.704 -4.368 1.00 0.00 C ATOM 1300 O PRO A 84 -11.944 1.823 -4.095 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.314 4.354 -2.497 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.533 5.224 -2.811 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.377 5.698 -4.247 1.00 0.00 C ATOM 0 HA PRO A 84 -11.529 4.289 -3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.615 3.404 -2.055 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.657 4.846 -1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.455 4.656 -2.690 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.589 6.072 -2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.247 5.417 -4.840 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.301 6.785 -4.286 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.784 2.479 -5.199 1.00 0.00 N ATOM 1312 CA GLU A 85 -14.030 1.216 -5.871 1.00 0.00 C ATOM 1313 C GLU A 85 -12.898 0.834 -6.825 1.00 0.00 C ATOM 1314 O GLU A 85 -12.790 -0.329 -7.195 1.00 0.00 O ATOM 1315 CB GLU A 85 -15.368 1.283 -6.621 1.00 0.00 C ATOM 1316 CG GLU A 85 -15.989 -0.115 -6.761 1.00 0.00 C ATOM 1317 CD GLU A 85 -17.360 -0.119 -7.432 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -18.209 0.734 -7.100 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -17.570 -1.017 -8.289 1.00 0.00 O ATOM 0 H GLU A 85 -14.476 3.194 -5.423 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.075 0.438 -5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.056 1.939 -6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.214 1.718 -7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.312 -0.746 -7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.079 -0.563 -5.771 1.00 0.00 H new ATOM 1326 N LEU A 86 -12.002 1.748 -7.205 1.00 0.00 N ATOM 1327 CA LEU A 86 -10.908 1.380 -8.092 1.00 0.00 C ATOM 1328 C LEU A 86 -9.936 0.405 -7.426 1.00 0.00 C ATOM 1329 O LEU A 86 -9.171 -0.251 -8.129 1.00 0.00 O ATOM 1330 CB LEU A 86 -10.162 2.636 -8.577 1.00 0.00 C ATOM 1331 CG LEU A 86 -10.023 2.790 -10.103 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -8.653 3.376 -10.416 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -10.149 1.497 -10.910 1.00 0.00 C ATOM 0 H LEU A 86 -12.014 2.727 -6.917 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.343 0.871 -8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.678 3.514 -8.188 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.164 2.633 -8.139 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.854 3.431 -10.397 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.544 3.489 -11.495 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.556 4.350 -9.937 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.877 2.708 -10.041 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.036 1.718 -11.971 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.373 0.798 -10.600 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.129 1.053 -10.734 1.00 0.00 H new ATOM 1345 N ILE A 87 -9.968 0.265 -6.096 1.00 0.00 N ATOM 1346 CA ILE A 87 -9.233 -0.800 -5.421 1.00 0.00 C ATOM 1347 C ILE A 87 -9.794 -2.168 -5.841 1.00 0.00 C ATOM 1348 O ILE A 87 -9.053 -3.141 -5.879 1.00 0.00 O ATOM 1349 CB ILE A 87 -9.246 -0.602 -3.887 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -8.680 0.784 -3.511 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -8.413 -1.676 -3.172 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -8.542 1.074 -2.009 1.00 0.00 C ATOM 0 H ILE A 87 -10.494 0.876 -5.471 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.187 -0.761 -5.726 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.285 -0.682 -3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.698 0.890 -3.972 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.322 1.547 -3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.445 -1.505 -2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.821 -2.662 -3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.380 -1.625 -3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.135 2.075 -1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.521 1.010 -1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.872 0.343 -1.557 1.00 0.00 H new ATOM 1364 N ASN A 88 -11.074 -2.288 -6.197 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.603 -3.534 -6.743 1.00 0.00 C ATOM 1366 C ASN A 88 -11.059 -3.728 -8.146 1.00 0.00 C ATOM 1367 O ASN A 88 -10.507 -4.774 -8.483 1.00 0.00 O ATOM 1368 CB ASN A 88 -13.124 -3.499 -6.829 1.00 0.00 C ATOM 1369 CG ASN A 88 -13.727 -3.790 -5.458 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -14.062 -4.927 -5.145 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.826 -2.809 -4.585 1.00 0.00 N ATOM 0 H ASN A 88 -11.761 -1.538 -6.116 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.302 -4.348 -6.083 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.455 -2.522 -7.182 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.473 -4.235 -7.553 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.182 -2.995 -3.647 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.547 -1.863 -4.847 1.00 0.00 H new ATOM 1378 N LYS A 89 -11.289 -2.711 -8.979 1.00 0.00 N ATOM 1379 CA LYS A 89 -11.059 -2.765 -10.413 1.00 0.00 C ATOM 1380 C LYS A 89 -9.598 -3.032 -10.731 1.00 0.00 C ATOM 1381 O LYS A 89 -9.301 -3.815 -11.638 1.00 0.00 O ATOM 1382 CB LYS A 89 -11.541 -1.461 -11.041 1.00 0.00 C ATOM 1383 CG LYS A 89 -12.635 -1.707 -12.082 1.00 0.00 C ATOM 1384 CD LYS A 89 -12.105 -2.241 -13.420 1.00 0.00 C ATOM 1385 CE LYS A 89 -13.312 -2.461 -14.334 1.00 0.00 C ATOM 1386 NZ LYS A 89 -12.945 -2.748 -15.732 1.00 0.00 N ATOM 0 H LYS A 89 -11.648 -1.810 -8.663 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.624 -3.595 -10.837 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.921 -0.800 -10.262 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.700 -0.950 -11.510 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.356 -2.417 -11.677 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.171 -0.775 -12.260 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.409 -1.532 -13.868 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.560 -3.173 -13.273 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.906 -3.288 -13.945 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.945 -1.574 -14.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.808 -2.886 -16.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.402 -1.950 -16.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.365 -3.611 -15.769 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.683 -2.369 -10.021 1.00 0.00 N ATOM 1401 CA ASP A 90 -7.267 -2.684 -10.103 1.00 0.00 C ATOM 1402 C ASP A 90 -6.548 -2.228 -8.829 1.00 0.00 C ATOM 1403 O ASP A 90 -6.010 -1.115 -8.806 1.00 0.00 O ATOM 1404 CB ASP A 90 -6.643 -2.088 -11.382 1.00 0.00 C ATOM 1405 CG ASP A 90 -5.784 -3.146 -12.063 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -4.974 -3.804 -11.373 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -5.969 -3.375 -13.279 1.00 0.00 O ATOM 0 H ASP A 90 -8.906 -1.607 -9.381 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.146 -3.765 -10.174 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.427 -1.749 -12.059 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.038 -1.216 -11.133 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.491 -3.055 -7.766 1.00 0.00 N ATOM 1413 CA PRO A 91 -5.868 -2.658 -6.507 1.00 0.00 C ATOM 1414 C PRO A 91 -4.369 -2.420 -6.641 1.00 0.00 C ATOM 1415 O PRO A 91 -3.759 -1.931 -5.690 1.00 0.00 O ATOM 1416 CB PRO A 91 -6.106 -3.811 -5.520 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.532 -5.008 -6.368 1.00 0.00 C ATOM 1418 CD PRO A 91 -6.984 -4.426 -7.708 1.00 0.00 C ATOM 0 HA PRO A 91 -6.305 -1.717 -6.172 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -5.201 -4.035 -4.955 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -6.878 -3.552 -4.795 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.706 -5.706 -6.503 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.340 -5.560 -5.888 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.588 -5.013 -8.537 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.071 -4.449 -7.791 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.777 -2.812 -7.774 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.347 -2.862 -8.000 1.00 0.00 C ATOM 1428 C GLU A 92 -1.930 -2.079 -9.253 1.00 0.00 C ATOM 1429 O GLU A 92 -0.772 -2.140 -9.677 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.835 -4.305 -7.958 1.00 0.00 C ATOM 1431 CG GLU A 92 -2.678 -5.311 -7.139 1.00 0.00 C ATOM 1432 CD GLU A 92 -1.871 -6.507 -6.667 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -0.727 -6.339 -6.196 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -2.438 -7.623 -6.715 1.00 0.00 O ATOM 0 H GLU A 92 -4.313 -3.114 -8.587 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.852 -2.345 -7.178 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.765 -4.672 -8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.823 -4.297 -7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.104 -4.802 -6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.513 -5.659 -7.748 1.00 0.00 H new ATOM 1441 N GLY A 93 -2.874 -1.338 -9.842 1.00 0.00 N ATOM 1442 CA GLY A 93 -2.704 -0.648 -11.109 1.00 0.00 C ATOM 1443 C GLY A 93 -2.993 0.833 -10.977 1.00 0.00 C ATOM 1444 O GLY A 93 -2.096 1.671 -11.107 1.00 0.00 O ATOM 0 H GLY A 93 -3.799 -1.203 -9.434 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.685 -0.790 -11.468 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.369 -1.085 -11.854 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.267 1.170 -10.800 1.00 0.00 N ATOM 1449 CA GLU A 94 -4.750 2.542 -10.714 1.00 0.00 C ATOM 1450 C GLU A 94 -5.370 2.810 -9.340 1.00 0.00 C ATOM 1451 O GLU A 94 -5.319 3.945 -8.868 1.00 0.00 O ATOM 1452 CB GLU A 94 -5.717 2.780 -11.879 1.00 0.00 C ATOM 1453 CG GLU A 94 -4.970 2.810 -13.208 1.00 0.00 C ATOM 1454 CD GLU A 94 -4.655 4.225 -13.709 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -3.947 4.986 -13.013 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -5.000 4.555 -14.869 1.00 0.00 O ATOM 0 H GLU A 94 -5.010 0.477 -10.710 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.930 3.254 -10.805 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.470 1.993 -11.898 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.245 3.722 -11.732 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.037 2.256 -13.102 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.565 2.292 -13.960 1.00 0.00 H new ATOM 1463 N GLY A 95 -5.860 1.769 -8.658 1.00 0.00 N ATOM 1464 CA GLY A 95 -6.318 1.789 -7.278 1.00 0.00 C ATOM 1465 C GLY A 95 -5.170 1.787 -6.272 1.00 0.00 C ATOM 1466 O GLY A 95 -5.295 1.143 -5.233 1.00 0.00 O ATOM 0 H GLY A 95 -5.949 0.846 -9.082 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.934 2.674 -7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.953 0.922 -7.099 1.00 0.00 H new ATOM 1470 N TRP A 96 -4.042 2.453 -6.564 1.00 0.00 N ATOM 1471 CA TRP A 96 -3.009 2.700 -5.553 1.00 0.00 C ATOM 1472 C TRP A 96 -3.588 3.619 -4.478 1.00 0.00 C ATOM 1473 O TRP A 96 -4.572 4.319 -4.727 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.710 3.270 -6.164 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.767 4.587 -6.888 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.265 4.755 -8.132 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.324 5.918 -6.456 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -2.244 6.090 -8.471 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.651 6.850 -7.487 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.736 6.453 -5.284 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.415 8.225 -7.361 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.516 7.844 -5.139 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -0.839 8.722 -6.185 1.00 0.00 C ATOM 0 H TRP A 96 -3.825 2.827 -7.488 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.722 1.750 -5.101 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.982 3.367 -5.359 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.319 2.528 -6.860 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.626 3.960 -8.767 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.620 6.468 -9.341 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.449 5.786 -4.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -1.675 8.897 -8.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -0.098 8.230 -4.221 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.644 9.779 -6.083 1.00 0.00 H new ATOM 1494 N LEU A 97 -2.981 3.620 -3.291 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.435 4.438 -2.173 1.00 0.00 C ATOM 1496 C LEU A 97 -2.559 5.688 -2.110 1.00 0.00 C ATOM 1497 O LEU A 97 -3.026 6.798 -2.345 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.349 3.666 -0.849 1.00 0.00 C ATOM 1499 CG LEU A 97 -4.174 2.376 -0.712 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -3.434 1.452 0.253 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -5.547 2.637 -0.092 1.00 0.00 C ATOM 0 H LEU A 97 -2.160 3.052 -3.080 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.479 4.711 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.303 3.413 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.650 4.342 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.303 1.951 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.995 0.525 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.444 1.228 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.334 1.942 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.095 1.698 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.422 3.068 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.104 3.332 -0.721 1.00 0.00 H new ATOM 1513 N PHE A 98 -1.272 5.525 -1.792 1.00 0.00 N ATOM 1514 CA PHE A 98 -0.353 6.628 -1.551 1.00 0.00 C ATOM 1515 C PHE A 98 1.049 6.259 -2.026 1.00 0.00 C ATOM 1516 O PHE A 98 1.306 5.116 -2.412 1.00 0.00 O ATOM 1517 CB PHE A 98 -0.397 7.050 -0.070 1.00 0.00 C ATOM 1518 CG PHE A 98 0.040 6.008 0.949 1.00 0.00 C ATOM 1519 CD1 PHE A 98 -0.815 4.959 1.319 1.00 0.00 C ATOM 1520 CD2 PHE A 98 1.272 6.140 1.608 1.00 0.00 C ATOM 1521 CE1 PHE A 98 -0.425 4.021 2.290 1.00 0.00 C ATOM 1522 CE2 PHE A 98 1.618 5.264 2.655 1.00 0.00 C ATOM 1523 CZ PHE A 98 0.782 4.187 2.980 1.00 0.00 C ATOM 0 H PHE A 98 -0.838 4.607 -1.695 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.663 7.497 -2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.233 7.931 0.052 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.417 7.352 0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.785 4.871 0.852 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.959 6.918 1.310 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.057 3.172 2.504 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.531 5.423 3.210 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.066 3.491 3.756 1.00 0.00 H new ATOM 1533 N LYS A 99 1.959 7.231 -2.020 1.00 0.00 N ATOM 1534 CA LYS A 99 3.338 7.065 -2.447 1.00 0.00 C ATOM 1535 C LYS A 99 4.255 7.729 -1.449 1.00 0.00 C ATOM 1536 O LYS A 99 3.953 8.797 -0.909 1.00 0.00 O ATOM 1537 CB LYS A 99 3.568 7.731 -3.802 1.00 0.00 C ATOM 1538 CG LYS A 99 3.318 6.806 -4.986 1.00 0.00 C ATOM 1539 CD LYS A 99 3.630 7.506 -6.306 1.00 0.00 C ATOM 1540 CE LYS A 99 2.508 7.360 -7.324 1.00 0.00 C ATOM 1541 NZ LYS A 99 2.887 8.109 -8.530 1.00 0.00 N ATOM 0 H LYS A 99 1.747 8.179 -1.709 1.00 0.00 H new ATOM 0 HA LYS A 99 3.544 5.997 -2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.915 8.600 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.594 8.097 -3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.935 5.913 -4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.279 6.478 -4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.810 8.564 -6.118 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.550 7.095 -6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.346 6.309 -7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.572 7.742 -6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.383 7.721 -9.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.634 9.111 -8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.913 8.026 -8.682 1.00 0.00 H new ATOM 1555 N MET A 100 5.419 7.124 -1.267 1.00 0.00 N ATOM 1556 CA MET A 100 6.360 7.523 -0.248 1.00 0.00 C ATOM 1557 C MET A 100 7.782 7.256 -0.688 1.00 0.00 C ATOM 1558 O MET A 100 8.084 6.218 -1.274 1.00 0.00 O ATOM 1559 CB MET A 100 6.082 6.785 1.064 1.00 0.00 C ATOM 1560 CG MET A 100 5.353 5.438 0.942 1.00 0.00 C ATOM 1561 SD MET A 100 4.985 4.692 2.539 1.00 0.00 S ATOM 1562 CE MET A 100 6.643 4.351 3.162 1.00 0.00 C ATOM 0 H MET A 100 5.734 6.335 -1.832 1.00 0.00 H new ATOM 0 HA MET A 100 6.238 8.594 -0.088 1.00 0.00 H new ATOM 0 HB2 MET A 100 7.032 6.616 1.570 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.491 7.438 1.706 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.423 5.582 0.392 1.00 0.00 H new ATOM 0 HG3 MET A 100 5.966 4.751 0.358 1.00 0.00 H new ATOM 0 HE1 MET A 100 6.579 3.674 4.014 1.00 0.00 H new ATOM 0 HE2 MET A 100 7.239 3.889 2.375 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.113 5.284 3.474 1.00 0.00 H new ATOM 1572 N GLU A 101 8.656 8.196 -0.361 1.00 0.00 N ATOM 1573 CA GLU A 101 10.082 8.079 -0.531 1.00 0.00 C ATOM 1574 C GLU A 101 10.602 6.937 0.330 1.00 0.00 C ATOM 1575 O GLU A 101 10.119 6.741 1.449 1.00 0.00 O ATOM 1576 CB GLU A 101 10.741 9.417 -0.171 1.00 0.00 C ATOM 1577 CG GLU A 101 12.254 9.421 -0.427 1.00 0.00 C ATOM 1578 CD GLU A 101 12.889 10.722 0.055 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.676 11.738 -0.651 1.00 0.00 O ATOM 1580 OE2 GLU A 101 13.515 10.744 1.142 1.00 0.00 O ATOM 0 H GLU A 101 8.374 9.089 0.043 1.00 0.00 H new ATOM 0 HA GLU A 101 10.329 7.850 -1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.276 10.214 -0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.554 9.638 0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.715 8.576 0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.446 9.292 -1.492 1.00 0.00 H new ATOM 1587 N ILE A 102 11.601 6.219 -0.186 1.00 0.00 N ATOM 1588 CA ILE A 102 12.315 5.192 0.555 1.00 0.00 C ATOM 1589 C ILE A 102 13.514 5.825 1.260 1.00 0.00 C ATOM 1590 O ILE A 102 14.477 6.211 0.597 1.00 0.00 O ATOM 1591 CB ILE A 102 12.732 4.020 -0.364 1.00 0.00 C ATOM 1592 CG1 ILE A 102 13.279 4.458 -1.747 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.520 3.098 -0.569 1.00 0.00 C ATOM 1594 CD1 ILE A 102 14.027 3.367 -2.508 1.00 0.00 C ATOM 0 H ILE A 102 11.937 6.340 -1.142 1.00 0.00 H new ATOM 0 HA ILE A 102 11.654 4.766 1.310 1.00 0.00 H new ATOM 0 HB ILE A 102 13.553 3.508 0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.446 4.804 -2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.947 5.308 -1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.801 2.267 -1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 102 11.189 2.712 0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.709 3.660 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.374 3.762 -3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.883 3.035 -1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.359 2.524 -2.685 1.00 0.00 H new ATOM 1606 N SER A 103 13.471 5.948 2.589 1.00 0.00 N ATOM 1607 CA SER A 103 14.678 6.277 3.347 1.00 0.00 C ATOM 1608 C SER A 103 15.685 5.121 3.285 1.00 0.00 C ATOM 1609 O SER A 103 16.896 5.349 3.208 1.00 0.00 O ATOM 1610 CB SER A 103 14.316 6.589 4.801 1.00 0.00 C ATOM 1611 OG SER A 103 13.485 7.733 4.854 1.00 0.00 O ATOM 0 H SER A 103 12.630 5.827 3.153 1.00 0.00 H new ATOM 0 HA SER A 103 15.139 7.158 2.902 1.00 0.00 H new ATOM 0 HB2 SER A 103 13.805 5.737 5.249 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.222 6.759 5.382 1.00 0.00 H new ATOM 0 HG SER A 103 13.255 7.927 5.787 1.00 0.00 H new ATOM 1617 N ASP A 104 15.176 3.886 3.279 1.00 0.00 N ATOM 1618 CA ASP A 104 15.887 2.690 3.698 1.00 0.00 C ATOM 1619 C ASP A 104 15.589 1.627 2.638 1.00 0.00 C ATOM 1620 O ASP A 104 14.829 0.695 2.895 1.00 0.00 O ATOM 1621 CB ASP A 104 15.442 2.209 5.111 1.00 0.00 C ATOM 1622 CG ASP A 104 15.380 3.263 6.222 1.00 0.00 C ATOM 1623 OD1 ASP A 104 16.117 4.264 6.162 1.00 0.00 O ATOM 1624 OD2 ASP A 104 14.537 3.101 7.142 1.00 0.00 O ATOM 0 H ASP A 104 14.223 3.692 2.970 1.00 0.00 H new ATOM 0 HA ASP A 104 16.956 2.889 3.779 1.00 0.00 H new ATOM 0 HB2 ASP A 104 14.454 1.757 5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 104 16.124 1.421 5.430 1.00 0.00 H new ATOM 1629 N GLU A 105 16.135 1.763 1.421 1.00 0.00 N ATOM 1630 CA GLU A 105 16.052 0.729 0.365 1.00 0.00 C ATOM 1631 C GLU A 105 16.650 -0.597 0.868 1.00 0.00 C ATOM 1632 O GLU A 105 16.301 -1.631 0.321 1.00 0.00 O ATOM 1633 CB GLU A 105 16.701 1.260 -0.931 1.00 0.00 C ATOM 1634 CG GLU A 105 17.831 0.415 -1.535 1.00 0.00 C ATOM 1635 CD GLU A 105 18.255 0.983 -2.886 1.00 0.00 C ATOM 1636 OE1 GLU A 105 18.903 2.063 -2.880 1.00 0.00 O ATOM 1637 OE2 GLU A 105 17.860 0.382 -3.911 1.00 0.00 O ATOM 0 H GLU A 105 16.650 2.595 1.135 1.00 0.00 H new ATOM 0 HA GLU A 105 15.012 0.511 0.124 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.919 1.369 -1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.092 2.258 -0.731 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.684 0.398 -0.856 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.499 -0.616 -1.655 1.00 0.00 H new ATOM 1644 N GLY A 106 17.450 -0.622 1.937 1.00 0.00 N ATOM 1645 CA GLY A 106 17.950 -1.867 2.498 1.00 0.00 C ATOM 1646 C GLY A 106 16.905 -2.624 3.315 1.00 0.00 C ATOM 1647 O GLY A 106 17.063 -3.832 3.495 1.00 0.00 O ATOM 0 H GLY A 106 17.763 0.214 2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.302 -2.507 1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.811 -1.652 3.131 1.00 0.00 H new ATOM 1651 N GLU A 107 15.859 -1.956 3.819 1.00 0.00 N ATOM 1652 CA GLU A 107 14.767 -2.645 4.509 1.00 0.00 C ATOM 1653 C GLU A 107 13.889 -3.425 3.524 1.00 0.00 C ATOM 1654 O GLU A 107 13.079 -4.238 3.946 1.00 0.00 O ATOM 1655 CB GLU A 107 13.891 -1.662 5.304 1.00 0.00 C ATOM 1656 CG GLU A 107 14.240 -1.540 6.795 1.00 0.00 C ATOM 1657 CD GLU A 107 13.105 -0.905 7.624 1.00 0.00 C ATOM 1658 OE1 GLU A 107 11.996 -0.669 7.086 1.00 0.00 O ATOM 1659 OE2 GLU A 107 13.308 -0.701 8.846 1.00 0.00 O ATOM 0 H GLU A 107 15.748 -0.944 3.761 1.00 0.00 H new ATOM 0 HA GLU A 107 15.229 -3.345 5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.970 -0.676 4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.850 -1.972 5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 107 14.465 -2.530 7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 107 15.143 -0.940 6.904 1.00 0.00 H new ATOM 1666 N LEU A 108 14.011 -3.212 2.216 1.00 0.00 N ATOM 1667 CA LEU A 108 13.348 -3.955 1.180 1.00 0.00 C ATOM 1668 C LEU A 108 13.638 -5.456 1.279 1.00 0.00 C ATOM 1669 O LEU A 108 12.729 -6.235 1.031 1.00 0.00 O ATOM 1670 CB LEU A 108 13.843 -3.389 -0.145 1.00 0.00 C ATOM 1671 CG LEU A 108 13.382 -1.960 -0.510 1.00 0.00 C ATOM 1672 CD1 LEU A 108 13.181 -0.888 0.549 1.00 0.00 C ATOM 1673 CD2 LEU A 108 13.793 -1.545 -1.925 1.00 0.00 C ATOM 0 H LEU A 108 14.610 -2.475 1.844 1.00 0.00 H new ATOM 0 HA LEU A 108 12.267 -3.854 1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.933 -3.401 -0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 108 13.525 -4.062 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 108 12.300 -2.088 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.856 0.037 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.422 -1.216 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.120 -0.716 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.441 -0.533 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.879 -1.576 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 108 13.351 -2.231 -2.648 1.00 0.00 H new ATOM 1685 N GLU A 109 14.847 -5.858 1.669 1.00 0.00 N ATOM 1686 CA GLU A 109 15.198 -7.271 1.874 1.00 0.00 C ATOM 1687 C GLU A 109 14.527 -7.865 3.126 1.00 0.00 C ATOM 1688 O GLU A 109 14.616 -9.068 3.367 1.00 0.00 O ATOM 1689 CB GLU A 109 16.727 -7.388 1.974 1.00 0.00 C ATOM 1690 CG GLU A 109 17.432 -7.205 0.614 1.00 0.00 C ATOM 1691 CD GLU A 109 18.024 -8.482 0.000 1.00 0.00 C ATOM 1692 OE1 GLU A 109 17.818 -9.609 0.497 1.00 0.00 O ATOM 1693 OE2 GLU A 109 18.766 -8.344 -1.000 1.00 0.00 O ATOM 0 H GLU A 109 15.616 -5.214 1.853 1.00 0.00 H new ATOM 0 HA GLU A 109 14.829 -7.845 1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.099 -6.640 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.986 -8.364 2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.718 -6.781 -0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.233 -6.476 0.735 1.00 0.00 H new ATOM 1700 N ASP A 110 13.868 -7.041 3.943 1.00 0.00 N ATOM 1701 CA ASP A 110 13.049 -7.471 5.077 1.00 0.00 C ATOM 1702 C ASP A 110 11.649 -7.889 4.587 1.00 0.00 C ATOM 1703 O ASP A 110 10.922 -8.592 5.290 1.00 0.00 O ATOM 1704 CB ASP A 110 12.952 -6.298 6.071 1.00 0.00 C ATOM 1705 CG ASP A 110 12.768 -6.683 7.537 1.00 0.00 C ATOM 1706 OD1 ASP A 110 11.602 -6.757 8.006 1.00 0.00 O ATOM 1707 OD2 ASP A 110 13.773 -6.688 8.285 1.00 0.00 O ATOM 0 H ASP A 110 13.890 -6.027 3.830 1.00 0.00 H new ATOM 0 HA ASP A 110 13.501 -8.332 5.569 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.857 -5.697 5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.117 -5.663 5.774 1.00 0.00 H new ATOM 1712 N LEU A 111 11.236 -7.463 3.381 1.00 0.00 N ATOM 1713 CA LEU A 111 9.939 -7.807 2.797 1.00 0.00 C ATOM 1714 C LEU A 111 10.011 -9.182 2.152 1.00 0.00 C ATOM 1715 O LEU A 111 11.056 -9.676 1.727 1.00 0.00 O ATOM 1716 CB LEU A 111 9.565 -6.860 1.650 1.00 0.00 C ATOM 1717 CG LEU A 111 9.237 -5.379 1.850 1.00 0.00 C ATOM 1718 CD1 LEU A 111 7.750 -5.086 2.058 1.00 0.00 C ATOM 1719 CD2 LEU A 111 10.062 -4.749 2.909 1.00 0.00 C ATOM 0 H LEU A 111 11.804 -6.864 2.782 1.00 0.00 H new ATOM 0 HA LEU A 111 9.214 -7.753 3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.390 -6.898 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.699 -7.302 1.157 1.00 0.00 H new ATOM 0 HG LEU A 111 9.503 -4.915 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.606 -4.014 2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.188 -5.422 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.396 -5.613 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 111 9.787 -3.699 3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 111 9.890 -5.260 3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.116 -4.824 2.642 1.00 0.00 H new ATOM 1731 N LEU A 112 8.825 -9.735 1.952 1.00 0.00 N ATOM 1732 CA LEU A 112 8.612 -11.009 1.314 1.00 0.00 C ATOM 1733 C LEU A 112 8.822 -10.852 -0.185 1.00 0.00 C ATOM 1734 O LEU A 112 8.381 -9.862 -0.791 1.00 0.00 O ATOM 1735 CB LEU A 112 7.184 -11.475 1.631 1.00 0.00 C ATOM 1736 CG LEU A 112 6.941 -11.572 3.152 1.00 0.00 C ATOM 1737 CD1 LEU A 112 5.454 -11.703 3.428 1.00 0.00 C ATOM 1738 CD2 LEU A 112 7.707 -12.729 3.789 1.00 0.00 C ATOM 0 H LEU A 112 7.957 -9.286 2.243 1.00 0.00 H new ATOM 0 HA LEU A 112 9.316 -11.756 1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.468 -10.780 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.008 -12.447 1.171 1.00 0.00 H new ATOM 0 HG LEU A 112 7.317 -10.655 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.288 -11.771 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.933 -10.830 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.072 -12.602 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.503 -12.755 4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 112 7.390 -13.668 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 112 8.776 -12.591 3.627 1.00 0.00 H new ATOM 1750 N ASP A 113 9.452 -11.869 -0.777 1.00 0.00 N ATOM 1751 CA ASP A 113 9.454 -12.078 -2.215 1.00 0.00 C ATOM 1752 C ASP A 113 8.005 -12.261 -2.669 1.00 0.00 C ATOM 1753 O ASP A 113 7.115 -12.531 -1.874 1.00 0.00 O ATOM 1754 CB ASP A 113 10.243 -13.331 -2.647 1.00 0.00 C ATOM 1755 CG ASP A 113 11.664 -13.470 -2.100 1.00 0.00 C ATOM 1756 OD1 ASP A 113 11.790 -13.711 -0.877 1.00 0.00 O ATOM 1757 OD2 ASP A 113 12.616 -13.504 -2.914 1.00 0.00 O ATOM 0 H ASP A 113 9.978 -12.574 -0.261 1.00 0.00 H new ATOM 0 HA ASP A 113 9.935 -11.211 -2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.675 -14.211 -2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.295 -13.342 -3.736 1.00 0.00 H new ATOM 1762 N GLU A 114 7.766 -12.216 -3.968 1.00 0.00 N ATOM 1763 CA GLU A 114 6.468 -12.393 -4.594 1.00 0.00 C ATOM 1764 C GLU A 114 5.949 -13.812 -4.373 1.00 0.00 C ATOM 1765 O GLU A 114 4.806 -13.966 -3.954 1.00 0.00 O ATOM 1766 CB GLU A 114 6.604 -12.036 -6.075 1.00 0.00 C ATOM 1767 CG GLU A 114 5.254 -12.032 -6.806 1.00 0.00 C ATOM 1768 CD GLU A 114 5.349 -11.413 -8.211 1.00 0.00 C ATOM 1769 OE1 GLU A 114 6.472 -11.065 -8.663 1.00 0.00 O ATOM 1770 OE2 GLU A 114 4.301 -11.261 -8.872 1.00 0.00 O ATOM 0 H GLU A 114 8.508 -12.047 -4.647 1.00 0.00 H new ATOM 0 HA GLU A 114 5.728 -11.732 -4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.066 -11.053 -6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.272 -12.749 -6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.885 -13.054 -6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.526 -11.476 -6.215 1.00 0.00 H new ATOM 1777 N GLN A 115 6.777 -14.845 -4.592 1.00 0.00 N ATOM 1778 CA GLN A 115 6.445 -16.210 -4.251 1.00 0.00 C ATOM 1779 C GLN A 115 6.239 -16.305 -2.738 1.00 0.00 C ATOM 1780 O GLN A 115 5.262 -16.895 -2.276 1.00 0.00 O ATOM 1781 CB GLN A 115 7.596 -17.122 -4.720 1.00 0.00 C ATOM 1782 CG GLN A 115 7.478 -18.492 -4.048 1.00 0.00 C ATOM 1783 CD GLN A 115 8.532 -19.518 -4.432 1.00 0.00 C ATOM 1784 OE1 GLN A 115 9.600 -19.201 -4.948 1.00 0.00 O ATOM 1785 NE2 GLN A 115 8.271 -20.773 -4.127 1.00 0.00 N ATOM 0 H GLN A 115 7.699 -14.741 -5.015 1.00 0.00 H new ATOM 0 HA GLN A 115 5.525 -16.528 -4.742 1.00 0.00 H new ATOM 0 HB2 GLN A 115 7.565 -17.234 -5.804 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.556 -16.667 -4.474 1.00 0.00 H new ATOM 0 HG2 GLN A 115 7.516 -18.349 -2.968 1.00 0.00 H new ATOM 0 HG3 GLN A 115 6.496 -18.905 -4.281 1.00 0.00 H new ATOM 0 HE21 GLN A 115 7.379 -21.019 -3.699 1.00 0.00 H new ATOM 0 HE22 GLN A 115 8.961 -21.499 -4.319 1.00 0.00 H new ATOM 1794 N ALA A 116 7.212 -15.793 -1.974 1.00 0.00 N ATOM 1795 CA ALA A 116 7.259 -15.958 -0.530 1.00 0.00 C ATOM 1796 C ALA A 116 6.035 -15.317 0.113 1.00 0.00 C ATOM 1797 O ALA A 116 5.546 -15.821 1.123 1.00 0.00 O ATOM 1798 CB ALA A 116 8.550 -15.344 0.016 1.00 0.00 C ATOM 0 H ALA A 116 7.990 -15.251 -2.350 1.00 0.00 H new ATOM 0 HA ALA A 116 7.250 -17.020 -0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.583 -15.469 1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.409 -15.843 -0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.579 -14.282 -0.228 1.00 0.00 H new ATOM 1804 N TYR A 117 5.528 -14.238 -0.485 1.00 0.00 N ATOM 1805 CA TYR A 117 4.283 -13.603 -0.093 1.00 0.00 C ATOM 1806 C TYR A 117 3.099 -14.568 -0.231 1.00 0.00 C ATOM 1807 O TYR A 117 2.280 -14.656 0.682 1.00 0.00 O ATOM 1808 CB TYR A 117 4.121 -12.323 -0.920 1.00 0.00 C ATOM 1809 CG TYR A 117 2.717 -11.770 -1.018 1.00 0.00 C ATOM 1810 CD1 TYR A 117 1.976 -11.476 0.142 1.00 0.00 C ATOM 1811 CD2 TYR A 117 2.127 -11.630 -2.287 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.624 -11.107 0.032 1.00 0.00 C ATOM 1813 CE2 TYR A 117 0.783 -11.252 -2.405 1.00 0.00 C ATOM 1814 CZ TYR A 117 0.017 -11.025 -1.240 1.00 0.00 C ATOM 1815 OH TYR A 117 -1.309 -10.752 -1.329 1.00 0.00 O ATOM 0 H TYR A 117 5.986 -13.777 -1.271 1.00 0.00 H new ATOM 0 HA TYR A 117 4.306 -13.331 0.962 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.764 -11.554 -0.492 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.485 -12.518 -1.929 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.445 -11.534 1.113 1.00 0.00 H new ATOM 0 HD2 TYR A 117 2.713 -11.815 -3.175 1.00 0.00 H new ATOM 0 HE1 TYR A 117 0.050 -10.886 0.920 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.335 -11.135 -3.381 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.576 -10.728 -2.272 1.00 0.00 H new ATOM 1825 N GLN A 118 3.004 -15.309 -1.337 1.00 0.00 N ATOM 1826 CA GLN A 118 1.875 -16.214 -1.548 1.00 0.00 C ATOM 1827 C GLN A 118 1.929 -17.358 -0.542 1.00 0.00 C ATOM 1828 O GLN A 118 0.918 -17.656 0.097 1.00 0.00 O ATOM 1829 CB GLN A 118 1.772 -16.756 -2.986 1.00 0.00 C ATOM 1830 CG GLN A 118 2.377 -15.825 -4.035 1.00 0.00 C ATOM 1831 CD GLN A 118 1.870 -16.096 -5.443 1.00 0.00 C ATOM 1832 OE1 GLN A 118 1.849 -17.229 -5.914 1.00 0.00 O ATOM 1833 NE2 GLN A 118 1.453 -15.062 -6.149 1.00 0.00 N ATOM 0 H GLN A 118 3.689 -15.300 -2.093 1.00 0.00 H new ATOM 0 HA GLN A 118 0.972 -15.624 -1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.273 -17.723 -3.038 1.00 0.00 H new ATOM 0 HB3 GLN A 118 0.723 -16.928 -3.226 1.00 0.00 H new ATOM 0 HG2 GLN A 118 2.152 -14.793 -3.768 1.00 0.00 H new ATOM 0 HG3 GLN A 118 3.462 -15.929 -4.021 1.00 0.00 H new ATOM 0 HE21 GLN A 118 1.476 -14.126 -5.745 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.108 -15.199 -7.099 1.00 0.00 H new ATOM 1842 N GLU A 119 3.111 -17.963 -0.379 1.00 0.00 N ATOM 1843 CA GLU A 119 3.380 -19.004 0.596 1.00 0.00 C ATOM 1844 C GLU A 119 2.983 -18.555 2.009 1.00 0.00 C ATOM 1845 O GLU A 119 2.340 -19.307 2.742 1.00 0.00 O ATOM 1846 CB GLU A 119 4.873 -19.363 0.511 1.00 0.00 C ATOM 1847 CG GLU A 119 5.128 -20.749 1.103 1.00 0.00 C ATOM 1848 CD GLU A 119 6.612 -21.036 1.370 1.00 0.00 C ATOM 1849 OE1 GLU A 119 7.452 -20.723 0.494 1.00 0.00 O ATOM 1850 OE2 GLU A 119 6.927 -21.559 2.470 1.00 0.00 O ATOM 0 H GLU A 119 3.927 -17.728 -0.944 1.00 0.00 H new ATOM 0 HA GLU A 119 2.781 -19.887 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.199 -19.340 -0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.463 -18.619 1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.574 -20.844 2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.737 -21.504 0.421 1.00 0.00 H new ATOM 1857 N PHE A 120 3.325 -17.315 2.373 1.00 0.00 N ATOM 1858 CA PHE A 120 3.003 -16.716 3.660 1.00 0.00 C ATOM 1859 C PHE A 120 1.492 -16.703 3.906 1.00 0.00 C ATOM 1860 O PHE A 120 1.036 -17.138 4.963 1.00 0.00 O ATOM 1861 CB PHE A 120 3.613 -15.310 3.727 1.00 0.00 C ATOM 1862 CG PHE A 120 3.321 -14.602 5.026 1.00 0.00 C ATOM 1863 CD1 PHE A 120 3.705 -15.212 6.230 1.00 0.00 C ATOM 1864 CD2 PHE A 120 2.610 -13.386 5.043 1.00 0.00 C ATOM 1865 CE1 PHE A 120 3.384 -14.608 7.450 1.00 0.00 C ATOM 1866 CE2 PHE A 120 2.292 -12.782 6.272 1.00 0.00 C ATOM 1867 CZ PHE A 120 2.688 -13.389 7.476 1.00 0.00 C ATOM 0 H PHE A 120 3.847 -16.689 1.760 1.00 0.00 H new ATOM 0 HA PHE A 120 3.435 -17.319 4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.692 -15.382 3.593 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.228 -14.713 2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 120 4.247 -16.146 6.215 1.00 0.00 H new ATOM 0 HD2 PHE A 120 2.311 -12.920 4.116 1.00 0.00 H new ATOM 0 HE1 PHE A 120 3.673 -15.082 8.377 1.00 0.00 H new ATOM 0 HE2 PHE A 120 1.744 -11.852 6.291 1.00 0.00 H new ATOM 0 HZ PHE A 120 2.457 -12.918 8.420 1.00 0.00 H new ATOM 1877 N CYS A 121 0.698 -16.247 2.934 1.00 0.00 N ATOM 1878 CA CYS A 121 -0.754 -16.229 3.088 1.00 0.00 C ATOM 1879 C CYS A 121 -1.360 -17.646 3.071 1.00 0.00 C ATOM 1880 O CYS A 121 -2.435 -17.855 3.639 1.00 0.00 O ATOM 1881 CB CYS A 121 -1.359 -15.348 1.993 1.00 0.00 C ATOM 1882 SG CYS A 121 -0.641 -13.677 2.048 1.00 0.00 S ATOM 0 H CYS A 121 1.035 -15.889 2.040 1.00 0.00 H new ATOM 0 HA CYS A 121 -0.996 -15.811 4.065 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -1.177 -15.796 1.016 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -2.440 -15.290 2.121 1.00 0.00 H new ATOM 0 HG CYS A 121 0.557 -13.703 1.544 1.00 0.00 H new ATOM 1888 N ALA A 122 -0.683 -18.627 2.455 1.00 0.00 N ATOM 1889 CA ALA A 122 -1.150 -20.013 2.429 1.00 0.00 C ATOM 1890 C ALA A 122 -0.964 -20.704 3.785 1.00 0.00 C ATOM 1891 O ALA A 122 -1.784 -21.542 4.160 1.00 0.00 O ATOM 1892 CB ALA A 122 -0.430 -20.794 1.327 1.00 0.00 C ATOM 0 H ALA A 122 0.199 -18.479 1.964 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.219 -19.997 2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -0.787 -21.824 1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -0.633 -20.332 0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 122 0.644 -20.783 1.516 1.00 0.00 H new ATOM 1898 N GLN A 123 0.072 -20.326 4.541 1.00 0.00 N ATOM 1899 CA GLN A 123 0.351 -20.809 5.893 1.00 0.00 C ATOM 1900 C GLN A 123 -0.752 -20.437 6.899 1.00 0.00 C ATOM 1901 O GLN A 123 -0.703 -20.931 8.029 1.00 0.00 O ATOM 1902 CB GLN A 123 1.713 -20.252 6.366 1.00 0.00 C ATOM 1903 CG GLN A 123 2.934 -21.068 5.903 1.00 0.00 C ATOM 1904 CD GLN A 123 3.142 -22.380 6.670 1.00 0.00 C ATOM 1905 OE1 GLN A 123 3.416 -23.425 6.085 1.00 0.00 O ATOM 1906 NE2 GLN A 123 3.037 -22.397 7.992 1.00 0.00 N ATOM 0 H GLN A 123 0.763 -19.651 4.214 1.00 0.00 H new ATOM 0 HA GLN A 123 0.382 -21.898 5.852 1.00 0.00 H new ATOM 0 HB2 GLN A 123 1.818 -19.229 6.005 1.00 0.00 H new ATOM 0 HB3 GLN A 123 1.714 -20.207 7.455 1.00 0.00 H new ATOM 0 HG2 GLN A 123 2.825 -21.294 4.842 1.00 0.00 H new ATOM 0 HG3 GLN A 123 3.828 -20.454 6.008 1.00 0.00 H new ATOM 0 HE21 GLN A 123 2.810 -21.540 8.497 1.00 0.00 H new ATOM 0 HE22 GLN A 123 3.183 -23.267 8.504 1.00 0.00 H new ATOM 1915 N GLU A 124 -1.705 -19.568 6.550 1.00 0.00 N ATOM 1916 CA GLU A 124 -2.751 -19.069 7.437 1.00 0.00 C ATOM 1917 C GLU A 124 -3.741 -20.172 7.787 1.00 0.00 C ATOM 1918 O GLU A 124 -3.801 -20.521 8.984 1.00 0.00 O ATOM 1919 CB GLU A 124 -3.401 -17.825 6.810 1.00 0.00 C ATOM 1920 CG GLU A 124 -4.332 -17.085 7.794 1.00 0.00 C ATOM 1921 CD GLU A 124 -3.892 -15.635 8.060 1.00 0.00 C ATOM 1922 OE1 GLU A 124 -3.650 -14.869 7.099 1.00 0.00 O ATOM 1923 OE2 GLU A 124 -3.791 -15.245 9.249 1.00 0.00 O ATOM 0 H GLU A 124 -1.769 -19.181 5.608 1.00 0.00 H new ATOM 0 HA GLU A 124 -2.320 -18.758 8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -2.621 -17.143 6.471 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -3.971 -18.122 5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.346 -17.084 7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -4.361 -17.629 8.738 1.00 0.00 H new TER 1930 GLU A 124