USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 GLN : amide:sc= -0.241 K(o=-0.24,f=-3.6!) USER MOD Set 1.2: A 86 LYS NZ :NH3+ 146:sc= 0.00377 (180deg=0) USER MOD Set 2.1: A 1 SER OG : rot 120:sc= 0.228 USER MOD Set 2.2: A 3 SER OG : rot 180:sc= 0.218 USER MOD Single : A 1 SER N :NH3+ -115:sc= 0.0779 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= 0.801 K(o=0.8,f=-2.7!) USER MOD Single : A 5 MET CE :methyl -168:sc=-0.00565 (180deg=-0.201) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 8 CYS SG : rot 180:sc= 0.108 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.5) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0295 USER MOD Single : A 20 THR OG1 : rot -42:sc= 0.173 USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 0.864 (180deg=0.848) USER MOD Single : A 28 ASN : amide:sc= -0.0299 K(o=-0.03,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= 1.06 (180deg=1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc=-0.00217 K(o=-0.0022,f=-0.67) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 42 CYS SG : rot 140:sc= -0.586 USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.00215 USER MOD Single : A 47 HIS : +bothHN:sc= 1.9 K(o=1.9,f=-6.1!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 52 SER OG : rot -161:sc= 1.64 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.565 K(o=0.56,f=-1.1) USER MOD Single : A 65 ASN : amide:sc= -0.286 K(o=-0.29,f=-4.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0.0616 X(o=0.062,f=-0.12) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.716 USER MOD Single : A 70 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.7) USER MOD Single : A 74 ASN : amide:sc= 0.936 K(o=0.94,f=0) USER MOD Single : A 77 MET CE :methyl -96:sc= -0.216 (180deg=-0.757) USER MOD Single : A 78 SER OG : rot 7:sc= 0.29 USER MOD Single : A 80 MET CE :methyl 176:sc= 0 (180deg=-0.0195) USER MOD Single : A 81 GLN : amide:sc= -0.467 K(o=-0.47,f=-1.7) USER MOD Single : A 82 SER OG : rot -166:sc= 1.13 USER MOD Single : A 83 HIS : no HE2:sc= 0.619 K(o=0.62,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.674 -3.528 -12.500 1.00 0.00 N ATOM 2 CA SER A 1 13.232 -2.862 -13.741 1.00 0.00 C ATOM 3 C SER A 1 13.765 -1.435 -13.800 1.00 0.00 C ATOM 4 O SER A 1 14.093 -0.844 -12.770 1.00 0.00 O ATOM 5 CB SER A 1 11.709 -2.853 -13.834 1.00 0.00 C ATOM 6 OG SER A 1 11.174 -2.087 -12.771 1.00 0.00 O ATOM 0 H1 SER A 1 14.307 -4.319 -12.737 1.00 0.00 H new ATOM 0 H2 SER A 1 14.181 -2.845 -11.902 1.00 0.00 H new ATOM 0 H3 SER A 1 12.845 -3.890 -11.986 1.00 0.00 H new ATOM 0 HA SER A 1 13.630 -3.422 -14.587 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.395 -2.435 -14.791 1.00 0.00 H new ATOM 0 HB3 SER A 1 11.326 -3.872 -13.790 1.00 0.00 H new ATOM 0 HG SER A 1 10.655 -1.340 -13.135 1.00 0.00 H new ATOM 12 N GLY A 2 13.857 -0.872 -15.010 1.00 0.00 N ATOM 13 CA GLY A 2 14.365 0.479 -15.209 1.00 0.00 C ATOM 14 C GLY A 2 13.353 1.541 -14.783 1.00 0.00 C ATOM 15 O GLY A 2 13.717 2.704 -14.619 1.00 0.00 O ATOM 0 H GLY A 2 13.581 -1.342 -15.872 1.00 0.00 H new ATOM 0 HA2 GLY A 2 15.286 0.607 -14.640 1.00 0.00 H new ATOM 0 HA3 GLY A 2 14.617 0.620 -16.260 1.00 0.00 H new ATOM 19 N SER A 3 12.087 1.154 -14.603 1.00 0.00 N ATOM 20 CA SER A 3 11.037 2.076 -14.185 1.00 0.00 C ATOM 21 C SER A 3 11.114 2.369 -12.685 1.00 0.00 C ATOM 22 O SER A 3 10.373 3.223 -12.196 1.00 0.00 O ATOM 23 CB SER A 3 9.673 1.495 -14.561 1.00 0.00 C ATOM 24 OG SER A 3 9.460 0.281 -13.870 1.00 0.00 O ATOM 0 H SER A 3 11.766 0.196 -14.743 1.00 0.00 H new ATOM 0 HA SER A 3 11.178 3.025 -14.703 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.885 2.207 -14.315 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.625 1.325 -15.637 1.00 0.00 H new ATOM 0 HG SER A 3 8.584 -0.085 -14.114 1.00 0.00 H new ATOM 30 N HIS A 4 12.001 1.670 -11.964 1.00 0.00 N ATOM 31 CA HIS A 4 12.174 1.782 -10.521 1.00 0.00 C ATOM 32 C HIS A 4 10.902 1.461 -9.735 1.00 0.00 C ATOM 33 O HIS A 4 9.819 1.308 -10.296 1.00 0.00 O ATOM 34 CB HIS A 4 12.754 3.159 -10.157 1.00 0.00 C ATOM 35 CG HIS A 4 14.149 3.391 -10.683 1.00 0.00 C ATOM 36 ND1 HIS A 4 14.536 3.424 -12.009 1.00 0.00 N ATOM 37 CD2 HIS A 4 15.256 3.646 -9.922 1.00 0.00 C ATOM 38 CE1 HIS A 4 15.856 3.684 -12.049 1.00 0.00 C ATOM 39 NE2 HIS A 4 16.316 3.819 -10.792 1.00 0.00 N ATOM 0 H HIS A 4 12.634 0.992 -12.388 1.00 0.00 H new ATOM 0 HA HIS A 4 12.892 1.019 -10.221 1.00 0.00 H new ATOM 0 HB2 HIS A 4 12.095 3.935 -10.547 1.00 0.00 H new ATOM 0 HB3 HIS A 4 12.763 3.264 -9.072 1.00 0.00 H new ATOM 0 HD1 HIS A 4 13.929 3.277 -12.815 1.00 0.00 H new ATOM 0 HD2 HIS A 4 15.295 3.702 -8.844 1.00 0.00 H new ATOM 0 HE1 HIS A 4 16.451 3.770 -12.946 1.00 0.00 H new ATOM 48 N MET A 5 11.041 1.356 -8.412 1.00 0.00 N ATOM 49 CA MET A 5 9.929 1.078 -7.509 1.00 0.00 C ATOM 50 C MET A 5 9.019 2.299 -7.360 1.00 0.00 C ATOM 51 O MET A 5 7.948 2.199 -6.763 1.00 0.00 O ATOM 52 CB MET A 5 10.468 0.631 -6.147 1.00 0.00 C ATOM 53 CG MET A 5 11.165 1.759 -5.375 1.00 0.00 C ATOM 54 SD MET A 5 12.691 2.409 -6.114 1.00 0.00 S ATOM 55 CE MET A 5 13.759 0.954 -5.969 1.00 0.00 C ATOM 0 H MET A 5 11.937 1.463 -7.936 1.00 0.00 H new ATOM 0 HA MET A 5 9.329 0.273 -7.934 1.00 0.00 H new ATOM 0 HB2 MET A 5 9.645 0.243 -5.547 1.00 0.00 H new ATOM 0 HB3 MET A 5 11.171 -0.189 -6.293 1.00 0.00 H new ATOM 0 HG2 MET A 5 10.461 2.583 -5.262 1.00 0.00 H new ATOM 0 HG3 MET A 5 11.396 1.397 -4.373 1.00 0.00 H new ATOM 0 HE1 MET A 5 14.791 1.238 -6.177 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.690 0.551 -4.958 1.00 0.00 H new ATOM 0 HE3 MET A 5 13.440 0.196 -6.684 1.00 0.00 H new ATOM 65 N LYS A 6 9.436 3.452 -7.899 1.00 0.00 N ATOM 66 CA LYS A 6 8.670 4.689 -7.833 1.00 0.00 C ATOM 67 C LYS A 6 9.054 5.591 -9.001 1.00 0.00 C ATOM 68 O LYS A 6 10.200 5.567 -9.448 1.00 0.00 O ATOM 69 CB LYS A 6 8.932 5.362 -6.483 1.00 0.00 C ATOM 70 CG LYS A 6 8.142 6.664 -6.344 1.00 0.00 C ATOM 71 CD LYS A 6 8.357 7.302 -4.969 1.00 0.00 C ATOM 72 CE LYS A 6 7.848 6.387 -3.853 1.00 0.00 C ATOM 73 NZ LYS A 6 8.009 7.028 -2.535 1.00 0.00 N ATOM 0 H LYS A 6 10.322 3.546 -8.395 1.00 0.00 H new ATOM 0 HA LYS A 6 7.602 4.484 -7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.659 4.681 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.997 5.568 -6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.448 7.362 -7.123 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.081 6.465 -6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.417 7.506 -4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.838 8.260 -4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.797 6.151 -4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.394 5.444 -3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.657 6.390 -1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.015 7.231 -2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.468 7.916 -2.512 1.00 0.00 H new ATOM 87 N THR A 7 8.099 6.386 -9.495 1.00 0.00 N ATOM 88 CA THR A 7 8.327 7.283 -10.619 1.00 0.00 C ATOM 89 C THR A 7 9.389 8.356 -10.405 1.00 0.00 C ATOM 90 O THR A 7 9.478 8.942 -9.326 1.00 0.00 O ATOM 91 CB THR A 7 7.013 7.847 -11.167 1.00 0.00 C ATOM 92 OG1 THR A 7 5.955 6.946 -10.927 1.00 0.00 O ATOM 93 CG2 THR A 7 7.111 8.134 -12.665 1.00 0.00 C ATOM 0 H THR A 7 7.150 6.421 -9.123 1.00 0.00 H new ATOM 0 HA THR A 7 8.769 6.650 -11.389 1.00 0.00 H new ATOM 0 HB THR A 7 6.816 8.786 -10.649 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.121 7.319 -11.281 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.162 8.533 -13.022 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.902 8.863 -12.845 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.340 7.211 -13.198 1.00 0.00 H new ATOM 101 N CYS A 8 10.196 8.612 -11.436 1.00 0.00 N ATOM 102 CA CYS A 8 11.263 9.606 -11.394 1.00 0.00 C ATOM 103 C CYS A 8 10.753 11.039 -11.551 1.00 0.00 C ATOM 104 O CYS A 8 11.534 11.983 -11.468 1.00 0.00 O ATOM 105 CB CYS A 8 12.293 9.285 -12.476 1.00 0.00 C ATOM 106 SG CYS A 8 11.472 9.184 -14.089 1.00 0.00 S ATOM 0 H CYS A 8 10.124 8.129 -12.331 1.00 0.00 H new ATOM 0 HA CYS A 8 11.722 9.552 -10.407 1.00 0.00 H new ATOM 0 HB2 CYS A 8 13.064 10.055 -12.497 1.00 0.00 H new ATOM 0 HB3 CYS A 8 12.790 8.342 -12.250 1.00 0.00 H new ATOM 0 HG CYS A 8 12.351 8.913 -15.007 1.00 0.00 H new ATOM 112 N VAL A 9 9.446 11.212 -11.778 1.00 0.00 N ATOM 113 CA VAL A 9 8.859 12.534 -11.942 1.00 0.00 C ATOM 114 C VAL A 9 8.891 13.340 -10.648 1.00 0.00 C ATOM 115 O VAL A 9 8.813 12.775 -9.558 1.00 0.00 O ATOM 116 CB VAL A 9 7.446 12.408 -12.535 1.00 0.00 C ATOM 117 CG1 VAL A 9 6.448 11.916 -11.489 1.00 0.00 C ATOM 118 CG2 VAL A 9 6.971 13.756 -13.074 1.00 0.00 C ATOM 0 H VAL A 9 8.777 10.445 -11.851 1.00 0.00 H new ATOM 0 HA VAL A 9 9.466 13.100 -12.648 1.00 0.00 H new ATOM 0 HB VAL A 9 7.497 11.682 -13.346 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.458 11.837 -11.939 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.758 10.938 -11.122 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.414 12.621 -10.659 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.969 13.649 -13.490 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.951 14.485 -12.264 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.653 14.097 -13.853 1.00 0.00 H new ATOM 128 N VAL A 10 9.008 14.667 -10.771 1.00 0.00 N ATOM 129 CA VAL A 10 9.072 15.572 -9.628 1.00 0.00 C ATOM 130 C VAL A 10 8.320 16.863 -9.923 1.00 0.00 C ATOM 131 O VAL A 10 8.177 17.271 -11.076 1.00 0.00 O ATOM 132 CB VAL A 10 10.530 15.868 -9.247 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.295 14.586 -8.921 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.264 16.598 -10.373 1.00 0.00 C ATOM 0 H VAL A 10 9.061 15.141 -11.673 1.00 0.00 H new ATOM 0 HA VAL A 10 8.593 15.083 -8.780 1.00 0.00 H new ATOM 0 HB VAL A 10 10.494 16.504 -8.363 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.323 14.833 -8.656 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.816 14.079 -8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.293 13.930 -9.791 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.293 16.792 -10.071 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.260 15.980 -11.271 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.763 17.543 -10.581 1.00 0.00 H new ATOM 144 N GLU A 11 7.837 17.502 -8.857 1.00 0.00 N ATOM 145 CA GLU A 11 7.114 18.762 -8.926 1.00 0.00 C ATOM 146 C GLU A 11 8.077 19.940 -8.825 1.00 0.00 C ATOM 147 O GLU A 11 9.203 19.792 -8.352 1.00 0.00 O ATOM 148 CB GLU A 11 6.076 18.813 -7.801 1.00 0.00 C ATOM 149 CG GLU A 11 4.940 17.825 -8.069 1.00 0.00 C ATOM 150 CD GLU A 11 4.104 18.195 -9.298 1.00 0.00 C ATOM 151 OE1 GLU A 11 3.284 17.342 -9.704 1.00 0.00 O ATOM 152 OE2 GLU A 11 4.279 19.318 -9.823 1.00 0.00 O ATOM 0 H GLU A 11 7.942 17.148 -7.906 1.00 0.00 H new ATOM 0 HA GLU A 11 6.603 18.831 -9.887 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.552 18.578 -6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.674 19.823 -7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.358 16.828 -8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.291 17.780 -7.195 1.00 0.00 H new ATOM 159 N LYS A 12 7.626 21.116 -9.272 1.00 0.00 N ATOM 160 CA LYS A 12 8.421 22.335 -9.252 1.00 0.00 C ATOM 161 C LYS A 12 7.589 23.565 -8.927 1.00 0.00 C ATOM 162 O LYS A 12 6.404 23.632 -9.252 1.00 0.00 O ATOM 163 CB LYS A 12 9.149 22.528 -10.583 1.00 0.00 C ATOM 164 CG LYS A 12 10.471 21.761 -10.591 1.00 0.00 C ATOM 165 CD LYS A 12 11.226 22.041 -11.889 1.00 0.00 C ATOM 166 CE LYS A 12 12.616 21.407 -11.817 1.00 0.00 C ATOM 167 NZ LYS A 12 13.366 21.622 -13.066 1.00 0.00 N ATOM 0 H LYS A 12 6.691 21.244 -9.660 1.00 0.00 H new ATOM 0 HA LYS A 12 9.155 22.219 -8.455 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.518 22.183 -11.402 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.337 23.589 -10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.078 22.057 -9.736 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.282 20.692 -10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.674 21.637 -12.738 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.313 23.116 -12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.169 21.832 -10.980 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.521 20.338 -11.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.305 21.181 -12.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.848 21.195 -13.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.476 22.642 -13.234 1.00 0.00 H new ATOM 181 N ILE A 13 8.236 24.542 -8.284 1.00 0.00 N ATOM 182 CA ILE A 13 7.654 25.828 -7.929 1.00 0.00 C ATOM 183 C ILE A 13 8.739 26.895 -8.063 1.00 0.00 C ATOM 184 O ILE A 13 9.921 26.589 -7.917 1.00 0.00 O ATOM 185 CB ILE A 13 7.074 25.787 -6.504 1.00 0.00 C ATOM 186 CG1 ILE A 13 5.915 24.783 -6.407 1.00 0.00 C ATOM 187 CG2 ILE A 13 6.599 27.181 -6.075 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.352 24.690 -4.989 1.00 0.00 C ATOM 0 H ILE A 13 9.208 24.451 -7.990 1.00 0.00 H new ATOM 0 HA ILE A 13 6.828 26.067 -8.599 1.00 0.00 H new ATOM 0 HB ILE A 13 7.867 25.462 -5.831 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.121 25.079 -7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.261 23.799 -6.725 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.192 27.132 -5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.440 27.874 -6.094 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.827 27.529 -6.761 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.535 23.969 -4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.138 24.368 -4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.981 25.667 -4.680 1.00 0.00 H new ATOM 200 N LYS A 14 8.341 28.137 -8.342 1.00 0.00 N ATOM 201 CA LYS A 14 9.265 29.252 -8.464 1.00 0.00 C ATOM 202 C LYS A 14 8.659 30.507 -7.840 1.00 0.00 C ATOM 203 O LYS A 14 7.465 30.761 -7.997 1.00 0.00 O ATOM 204 CB LYS A 14 9.614 29.461 -9.939 1.00 0.00 C ATOM 205 CG LYS A 14 10.535 30.669 -10.142 1.00 0.00 C ATOM 206 CD LYS A 14 10.863 30.835 -11.625 1.00 0.00 C ATOM 207 CE LYS A 14 11.789 32.037 -11.822 1.00 0.00 C ATOM 208 NZ LYS A 14 12.113 32.231 -13.248 1.00 0.00 N ATOM 0 H LYS A 14 7.365 28.393 -8.489 1.00 0.00 H new ATOM 0 HA LYS A 14 10.186 29.033 -7.924 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.099 28.565 -10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.698 29.602 -10.512 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.053 31.571 -9.765 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.454 30.536 -9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.340 29.931 -12.004 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.945 30.975 -12.196 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.313 32.935 -11.429 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.708 31.889 -11.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.742 33.053 -13.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.589 31.382 -13.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.237 32.396 -13.784 1.00 0.00 H new ATOM 222 N GLN A 15 9.482 31.291 -7.136 1.00 0.00 N ATOM 223 CA GLN A 15 9.026 32.519 -6.500 1.00 0.00 C ATOM 224 C GLN A 15 10.198 33.470 -6.239 1.00 0.00 C ATOM 225 O GLN A 15 11.333 33.030 -6.071 1.00 0.00 O ATOM 226 CB GLN A 15 8.272 32.171 -5.210 1.00 0.00 C ATOM 227 CG GLN A 15 7.817 33.418 -4.443 1.00 0.00 C ATOM 228 CD GLN A 15 6.989 34.355 -5.317 1.00 0.00 C ATOM 229 OE1 GLN A 15 6.158 33.915 -6.110 1.00 0.00 O ATOM 230 NE2 GLN A 15 7.205 35.660 -5.180 1.00 0.00 N ATOM 0 H GLN A 15 10.472 31.090 -6.995 1.00 0.00 H new ATOM 0 HA GLN A 15 8.343 33.042 -7.169 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.402 31.561 -5.454 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.915 31.568 -4.569 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.229 33.116 -3.576 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.690 33.951 -4.066 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.901 35.995 -4.514 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.675 36.326 -5.741 1.00 0.00 H new ATOM 239 N TRP A 16 9.911 34.772 -6.212 1.00 0.00 N ATOM 240 CA TRP A 16 10.901 35.818 -5.998 1.00 0.00 C ATOM 241 C TRP A 16 10.931 36.272 -4.540 1.00 0.00 C ATOM 242 O TRP A 16 9.931 36.174 -3.831 1.00 0.00 O ATOM 243 CB TRP A 16 10.556 37.004 -6.901 1.00 0.00 C ATOM 244 CG TRP A 16 10.480 36.681 -8.361 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.424 36.109 -8.984 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.507 36.842 -9.384 1.00 0.00 C ATOM 247 NE1 TRP A 16 9.725 35.909 -10.316 1.00 0.00 N ATOM 248 CE2 TRP A 16 10.995 36.354 -10.620 1.00 0.00 C ATOM 249 CE3 TRP A 16 12.810 37.369 -9.397 1.00 0.00 C ATOM 250 CZ2 TRP A 16 11.743 36.372 -11.803 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.564 37.405 -10.579 1.00 0.00 C ATOM 252 CH2 TRP A 16 13.038 36.906 -11.781 1.00 0.00 C ATOM 0 H TRP A 16 8.965 35.132 -6.341 1.00 0.00 H new ATOM 0 HA TRP A 16 11.888 35.424 -6.240 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.598 37.417 -6.584 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.303 37.784 -6.754 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.489 35.849 -8.511 1.00 0.00 H new ATOM 0 HE1 TRP A 16 9.088 35.485 -10.991 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.237 37.752 -8.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.328 35.980 -12.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.560 37.821 -10.564 1.00 0.00 H new ATOM 0 HH2 TRP A 16 13.629 36.934 -12.685 1.00 0.00 H new ATOM 263 N ILE A 17 12.087 36.779 -4.103 1.00 0.00 N ATOM 264 CA ILE A 17 12.262 37.395 -2.796 1.00 0.00 C ATOM 265 C ILE A 17 13.181 38.603 -2.957 1.00 0.00 C ATOM 266 O ILE A 17 14.173 38.521 -3.680 1.00 0.00 O ATOM 267 CB ILE A 17 12.859 36.412 -1.776 1.00 0.00 C ATOM 268 CG1 ILE A 17 13.952 35.542 -2.405 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.762 35.524 -1.185 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.712 34.744 -1.345 1.00 0.00 C ATOM 0 H ILE A 17 12.940 36.770 -4.662 1.00 0.00 H new ATOM 0 HA ILE A 17 11.287 37.699 -2.415 1.00 0.00 H new ATOM 0 HB ILE A 17 13.313 37.001 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.504 34.858 -3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.649 36.173 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.201 34.834 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.020 36.147 -0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.282 34.958 -1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.480 34.138 -1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 17 15.181 35.430 -0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.018 34.094 -0.812 1.00 0.00 H new ATOM 282 N PRO A 18 12.876 39.733 -2.305 1.00 0.00 N ATOM 283 CA PRO A 18 13.662 40.945 -2.423 1.00 0.00 C ATOM 284 C PRO A 18 15.060 40.710 -1.858 1.00 0.00 C ATOM 285 O PRO A 18 15.226 39.984 -0.879 1.00 0.00 O ATOM 286 CB PRO A 18 12.894 42.014 -1.646 1.00 0.00 C ATOM 287 CG PRO A 18 12.094 41.201 -0.629 1.00 0.00 C ATOM 288 CD PRO A 18 11.760 39.927 -1.401 1.00 0.00 C ATOM 0 HA PRO A 18 13.801 41.258 -3.458 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.567 42.718 -1.158 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.243 42.596 -2.298 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.676 40.989 0.268 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.195 41.727 -0.308 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.644 39.077 -0.729 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.823 40.031 -1.948 1.00 0.00 H new ATOM 296 N THR A 19 16.069 41.327 -2.475 1.00 0.00 N ATOM 297 CA THR A 19 17.458 41.127 -2.082 1.00 0.00 C ATOM 298 C THR A 19 17.799 41.501 -0.642 1.00 0.00 C ATOM 299 O THR A 19 18.868 41.151 -0.143 1.00 0.00 O ATOM 300 CB THR A 19 18.434 41.721 -3.108 1.00 0.00 C ATOM 301 OG1 THR A 19 17.840 41.767 -4.389 1.00 0.00 O ATOM 302 CG2 THR A 19 19.713 40.889 -3.188 1.00 0.00 C ATOM 0 H THR A 19 15.945 41.973 -3.254 1.00 0.00 H new ATOM 0 HA THR A 19 17.590 40.045 -2.090 1.00 0.00 H new ATOM 0 HB THR A 19 18.680 42.731 -2.781 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.475 42.150 -5.030 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.388 41.330 -3.921 1.00 0.00 H new ATOM 0 HG22 THR A 19 20.198 40.872 -2.212 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.466 39.871 -3.488 1.00 0.00 H new ATOM 310 N THR A 20 16.888 42.211 0.030 1.00 0.00 N ATOM 311 CA THR A 20 17.056 42.598 1.423 1.00 0.00 C ATOM 312 C THR A 20 16.829 41.477 2.435 1.00 0.00 C ATOM 313 O THR A 20 17.066 41.662 3.630 1.00 0.00 O ATOM 314 CB THR A 20 16.226 43.849 1.727 1.00 0.00 C ATOM 315 OG1 THR A 20 16.746 44.499 2.866 1.00 0.00 O ATOM 316 CG2 THR A 20 14.765 43.489 1.994 1.00 0.00 C ATOM 0 H THR A 20 16.012 42.532 -0.383 1.00 0.00 H new ATOM 0 HA THR A 20 18.112 42.838 1.549 1.00 0.00 H new ATOM 0 HB THR A 20 16.277 44.505 0.858 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.975 43.832 3.547 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.200 44.396 2.207 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.345 42.997 1.116 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.707 42.816 2.849 1.00 0.00 H new ATOM 324 N GLU A 21 16.373 40.308 1.977 1.00 0.00 N ATOM 325 CA GLU A 21 16.153 39.170 2.860 1.00 0.00 C ATOM 326 C GLU A 21 16.624 37.855 2.236 1.00 0.00 C ATOM 327 O GLU A 21 16.373 36.790 2.796 1.00 0.00 O ATOM 328 CB GLU A 21 14.690 39.111 3.308 1.00 0.00 C ATOM 329 CG GLU A 21 13.746 38.760 2.154 1.00 0.00 C ATOM 330 CD GLU A 21 12.282 38.791 2.595 1.00 0.00 C ATOM 331 OE1 GLU A 21 12.028 39.062 3.791 1.00 0.00 O ATOM 332 OE2 GLU A 21 11.416 38.539 1.725 1.00 0.00 O ATOM 0 H GLU A 21 16.150 40.129 0.998 1.00 0.00 H new ATOM 0 HA GLU A 21 16.766 39.314 3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.584 38.370 4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.402 40.073 3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.895 39.463 1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.991 37.769 1.772 1.00 0.00 H new ATOM 339 N VAL A 22 17.308 37.902 1.086 1.00 0.00 N ATOM 340 CA VAL A 22 17.907 36.700 0.515 1.00 0.00 C ATOM 341 C VAL A 22 18.981 36.197 1.481 1.00 0.00 C ATOM 342 O VAL A 22 19.299 35.010 1.505 1.00 0.00 O ATOM 343 CB VAL A 22 18.524 37.039 -0.849 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.379 35.891 -1.390 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.420 37.338 -1.860 1.00 0.00 C ATOM 0 H VAL A 22 17.457 38.752 0.541 1.00 0.00 H new ATOM 0 HA VAL A 22 17.155 35.924 0.370 1.00 0.00 H new ATOM 0 HB VAL A 22 19.162 37.911 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 22 19.797 36.173 -2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.189 35.681 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 22 18.761 35.001 -1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 22 17.866 37.578 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.776 36.465 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.829 38.185 -1.513 1.00 0.00 H new ATOM 355 N GLY A 23 19.541 37.106 2.288 1.00 0.00 N ATOM 356 CA GLY A 23 20.569 36.758 3.257 1.00 0.00 C ATOM 357 C GLY A 23 20.009 35.921 4.404 1.00 0.00 C ATOM 358 O GLY A 23 20.774 35.329 5.166 1.00 0.00 O ATOM 0 H GLY A 23 19.292 38.095 2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.365 36.205 2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.015 37.669 3.656 1.00 0.00 H new ATOM 362 N LYS A 24 18.680 35.852 4.540 1.00 0.00 N ATOM 363 CA LYS A 24 18.033 35.035 5.556 1.00 0.00 C ATOM 364 C LYS A 24 18.036 33.559 5.159 1.00 0.00 C ATOM 365 O LYS A 24 17.662 32.714 5.967 1.00 0.00 O ATOM 366 CB LYS A 24 16.598 35.524 5.782 1.00 0.00 C ATOM 367 CG LYS A 24 16.526 36.996 6.191 1.00 0.00 C ATOM 368 CD LYS A 24 17.307 37.271 7.478 1.00 0.00 C ATOM 369 CE LYS A 24 17.143 38.730 7.903 1.00 0.00 C ATOM 370 NZ LYS A 24 15.759 39.039 8.294 1.00 0.00 N ATOM 0 H LYS A 24 18.028 36.364 3.945 1.00 0.00 H new ATOM 0 HA LYS A 24 18.594 35.133 6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.022 35.378 4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.130 34.914 6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.922 37.616 5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 24 15.484 37.283 6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.954 36.613 8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.363 37.047 7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.811 38.941 8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.442 39.382 7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.677 40.053 8.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.116 38.798 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.504 38.484 9.136 1.00 0.00 H new ATOM 384 N ILE A 25 18.453 33.248 3.924 1.00 0.00 N ATOM 385 CA ILE A 25 18.488 31.880 3.425 1.00 0.00 C ATOM 386 C ILE A 25 19.913 31.453 3.079 1.00 0.00 C ATOM 387 O ILE A 25 20.223 30.264 3.124 1.00 0.00 O ATOM 388 CB ILE A 25 17.586 31.764 2.184 1.00 0.00 C ATOM 389 CG1 ILE A 25 16.204 32.386 2.420 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.467 30.295 1.761 1.00 0.00 C ATOM 391 CD1 ILE A 25 15.374 32.380 1.136 1.00 0.00 C ATOM 0 H ILE A 25 18.774 33.942 3.249 1.00 0.00 H new ATOM 0 HA ILE A 25 18.122 31.217 4.209 1.00 0.00 H new ATOM 0 HB ILE A 25 18.050 32.328 1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.680 31.832 3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.318 33.409 2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 25 16.827 30.220 0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.456 29.903 1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 25 17.033 29.716 2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.399 32.826 1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.889 32.955 0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.241 31.354 0.793 1.00 0.00 H new ATOM 403 N LEU A 26 20.784 32.406 2.730 1.00 0.00 N ATOM 404 CA LEU A 26 22.141 32.100 2.287 1.00 0.00 C ATOM 405 C LEU A 26 23.215 32.649 3.224 1.00 0.00 C ATOM 406 O LEU A 26 24.400 32.394 3.017 1.00 0.00 O ATOM 407 CB LEU A 26 22.336 32.649 0.870 1.00 0.00 C ATOM 408 CG LEU A 26 21.260 32.180 -0.112 1.00 0.00 C ATOM 409 CD1 LEU A 26 21.560 32.792 -1.476 1.00 0.00 C ATOM 410 CD2 LEU A 26 21.271 30.656 -0.237 1.00 0.00 C ATOM 0 H LEU A 26 20.567 33.402 2.748 1.00 0.00 H new ATOM 0 HA LEU A 26 22.257 31.016 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.336 33.738 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 26 23.315 32.343 0.500 1.00 0.00 H new ATOM 0 HG LEU A 26 20.280 32.492 0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 26 20.805 32.471 -2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 26 21.547 33.879 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.543 32.464 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.499 30.343 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 26 22.245 30.328 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 26 21.077 30.210 0.738 1.00 0.00 H new ATOM 422 N GLY A 27 22.816 33.398 4.256 1.00 0.00 N ATOM 423 CA GLY A 27 23.764 34.036 5.163 1.00 0.00 C ATOM 424 C GLY A 27 24.343 33.057 6.181 1.00 0.00 C ATOM 425 O GLY A 27 25.410 33.306 6.742 1.00 0.00 O ATOM 0 H GLY A 27 21.837 33.576 4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.576 34.477 4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 27 23.267 34.852 5.689 1.00 0.00 H new ATOM 429 N ASN A 28 23.649 31.941 6.420 1.00 0.00 N ATOM 430 CA ASN A 28 24.092 30.903 7.338 1.00 0.00 C ATOM 431 C ASN A 28 24.811 29.787 6.580 1.00 0.00 C ATOM 432 O ASN A 28 24.709 28.621 6.956 1.00 0.00 O ATOM 433 CB ASN A 28 22.901 30.351 8.128 1.00 0.00 C ATOM 434 CG ASN A 28 22.222 31.390 9.009 1.00 0.00 C ATOM 435 OD1 ASN A 28 22.591 32.562 9.024 1.00 0.00 O ATOM 436 ND2 ASN A 28 21.210 30.953 9.753 1.00 0.00 N ATOM 0 H ASN A 28 22.755 31.736 5.974 1.00 0.00 H new ATOM 0 HA ASN A 28 24.799 31.338 8.044 1.00 0.00 H new ATOM 0 HB2 ASN A 28 22.169 29.944 7.430 1.00 0.00 H new ATOM 0 HB3 ASN A 28 23.241 29.524 8.751 1.00 0.00 H new ATOM 0 HD21 ASN A 28 20.710 31.599 10.364 1.00 0.00 H new ATOM 0 HD22 ASN A 28 20.934 29.972 9.713 1.00 0.00 H new ATOM 443 N ARG A 29 25.534 30.130 5.507 1.00 0.00 N ATOM 444 CA ARG A 29 26.135 29.139 4.613 1.00 0.00 C ATOM 445 C ARG A 29 25.064 28.181 4.084 1.00 0.00 C ATOM 446 O ARG A 29 25.326 27.002 3.849 1.00 0.00 O ATOM 447 CB ARG A 29 27.300 28.413 5.294 1.00 0.00 C ATOM 448 CG ARG A 29 28.356 29.415 5.764 1.00 0.00 C ATOM 449 CD ARG A 29 29.546 28.683 6.384 1.00 0.00 C ATOM 450 NE ARG A 29 29.151 27.934 7.584 1.00 0.00 N ATOM 451 CZ ARG A 29 29.109 28.441 8.818 1.00 0.00 C ATOM 452 NH1 ARG A 29 29.435 29.714 9.044 1.00 0.00 N ATOM 453 NH2 ARG A 29 28.738 27.679 9.841 1.00 0.00 N ATOM 0 H ARG A 29 25.717 31.097 5.237 1.00 0.00 H new ATOM 0 HA ARG A 29 26.560 29.652 3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 29 26.931 27.839 6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.748 27.702 4.600 1.00 0.00 H new ATOM 0 HG2 ARG A 29 28.692 30.021 4.922 1.00 0.00 H new ATOM 0 HG3 ARG A 29 27.920 30.097 6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 29 29.976 27.999 5.652 1.00 0.00 H new ATOM 0 HD3 ARG A 29 30.323 29.403 6.642 1.00 0.00 H new ATOM 0 HE ARG A 29 28.890 26.955 7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 29 29.721 30.313 8.269 1.00 0.00 H new ATOM 0 HH12 ARG A 29 29.399 30.089 9.992 1.00 0.00 H new ATOM 0 HH21 ARG A 29 28.484 26.704 9.685 1.00 0.00 H new ATOM 0 HH22 ARG A 29 28.707 28.069 10.783 1.00 0.00 H new ATOM 467 N ALA A 30 23.849 28.713 3.908 1.00 0.00 N ATOM 468 CA ALA A 30 22.671 27.984 3.459 1.00 0.00 C ATOM 469 C ALA A 30 22.277 26.826 4.378 1.00 0.00 C ATOM 470 O ALA A 30 21.535 25.936 3.962 1.00 0.00 O ATOM 471 CB ALA A 30 22.821 27.579 1.992 1.00 0.00 C ATOM 0 H ALA A 30 23.659 29.700 4.082 1.00 0.00 H new ATOM 0 HA ALA A 30 21.822 28.665 3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.932 27.035 1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 30 22.941 28.472 1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.697 26.941 1.878 1.00 0.00 H new ATOM 477 N ALA A 31 22.759 26.822 5.624 1.00 0.00 N ATOM 478 CA ALA A 31 22.366 25.818 6.604 1.00 0.00 C ATOM 479 C ALA A 31 20.866 25.905 6.873 1.00 0.00 C ATOM 480 O ALA A 31 20.221 24.895 7.154 1.00 0.00 O ATOM 481 CB ALA A 31 23.136 26.081 7.897 1.00 0.00 C ATOM 0 H ALA A 31 23.426 27.509 5.975 1.00 0.00 H new ATOM 0 HA ALA A 31 22.593 24.822 6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.856 25.339 8.645 1.00 0.00 H new ATOM 0 HB2 ALA A 31 24.207 26.014 7.703 1.00 0.00 H new ATOM 0 HB3 ALA A 31 22.896 27.078 8.267 1.00 0.00 H new ATOM 487 N VAL A 32 20.313 27.118 6.785 1.00 0.00 N ATOM 488 CA VAL A 32 18.896 27.362 7.003 1.00 0.00 C ATOM 489 C VAL A 32 18.095 26.810 5.825 1.00 0.00 C ATOM 490 O VAL A 32 16.974 26.340 6.015 1.00 0.00 O ATOM 491 CB VAL A 32 18.682 28.878 7.158 1.00 0.00 C ATOM 492 CG1 VAL A 32 19.321 29.650 6.005 1.00 0.00 C ATOM 493 CG2 VAL A 32 17.200 29.218 7.230 1.00 0.00 C ATOM 0 H VAL A 32 20.844 27.959 6.559 1.00 0.00 H new ATOM 0 HA VAL A 32 18.553 26.859 7.907 1.00 0.00 H new ATOM 0 HB VAL A 32 19.162 29.174 8.091 1.00 0.00 H new ATOM 0 HG11 VAL A 32 19.152 30.718 6.144 1.00 0.00 H new ATOM 0 HG12 VAL A 32 20.393 29.452 5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.875 29.332 5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 32 17.079 30.296 7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 32 16.706 28.888 6.316 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.752 28.714 8.086 1.00 0.00 H new ATOM 503 N LYS A 33 18.653 26.855 4.612 1.00 0.00 N ATOM 504 CA LYS A 33 17.963 26.348 3.436 1.00 0.00 C ATOM 505 C LYS A 33 17.876 24.830 3.507 1.00 0.00 C ATOM 506 O LYS A 33 16.839 24.249 3.199 1.00 0.00 O ATOM 507 CB LYS A 33 18.716 26.783 2.175 1.00 0.00 C ATOM 508 CG LYS A 33 17.927 26.408 0.915 1.00 0.00 C ATOM 509 CD LYS A 33 18.668 26.872 -0.344 1.00 0.00 C ATOM 510 CE LYS A 33 19.958 26.082 -0.575 1.00 0.00 C ATOM 511 NZ LYS A 33 19.680 24.668 -0.890 1.00 0.00 N ATOM 0 H LYS A 33 19.580 27.238 4.425 1.00 0.00 H new ATOM 0 HA LYS A 33 16.952 26.754 3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.883 27.860 2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.697 26.309 2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.780 25.329 0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.938 26.864 0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.015 26.761 -1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.903 27.933 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.520 26.534 -1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.585 26.141 0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.577 24.155 -1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.135 24.240 -0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.131 24.610 -1.771 1.00 0.00 H new ATOM 525 N LYS A 34 18.972 24.186 3.923 1.00 0.00 N ATOM 526 CA LYS A 34 19.050 22.732 4.016 1.00 0.00 C ATOM 527 C LYS A 34 18.178 22.177 5.140 1.00 0.00 C ATOM 528 O LYS A 34 17.840 20.998 5.120 1.00 0.00 O ATOM 529 CB LYS A 34 20.514 22.312 4.198 1.00 0.00 C ATOM 530 CG LYS A 34 21.310 22.627 2.927 1.00 0.00 C ATOM 531 CD LYS A 34 22.775 22.212 3.063 1.00 0.00 C ATOM 532 CE LYS A 34 23.463 22.999 4.178 1.00 0.00 C ATOM 533 NZ LYS A 34 24.886 22.626 4.285 1.00 0.00 N ATOM 0 H LYS A 34 19.829 24.663 4.204 1.00 0.00 H new ATOM 0 HA LYS A 34 18.663 22.311 3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.949 22.837 5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.571 21.246 4.418 1.00 0.00 H new ATOM 0 HG2 LYS A 34 20.862 22.109 2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.252 23.695 2.716 1.00 0.00 H new ATOM 0 HD2 LYS A 34 22.837 21.144 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.294 22.381 2.120 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.377 24.068 3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 34 22.961 22.808 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.332 23.173 5.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 24.964 21.611 4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.367 22.831 3.386 1.00 0.00 H new ATOM 547 N HIS A 35 17.804 23.008 6.121 1.00 0.00 N ATOM 548 CA HIS A 35 16.926 22.555 7.189 1.00 0.00 C ATOM 549 C HIS A 35 15.483 22.464 6.696 1.00 0.00 C ATOM 550 O HIS A 35 14.729 21.623 7.179 1.00 0.00 O ATOM 551 CB HIS A 35 17.018 23.502 8.385 1.00 0.00 C ATOM 552 CG HIS A 35 16.265 22.984 9.584 1.00 0.00 C ATOM 553 ND1 HIS A 35 16.726 22.052 10.495 1.00 0.00 N ATOM 554 CD2 HIS A 35 15.007 23.355 9.974 1.00 0.00 C ATOM 555 CE1 HIS A 35 15.768 21.862 11.420 1.00 0.00 C ATOM 556 NE2 HIS A 35 14.711 22.643 11.118 1.00 0.00 N ATOM 0 H HIS A 35 18.095 23.983 6.191 1.00 0.00 H new ATOM 0 HA HIS A 35 17.246 21.561 7.502 1.00 0.00 H new ATOM 0 HB2 HIS A 35 18.065 23.647 8.651 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.622 24.478 8.104 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.367 24.070 9.479 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.834 21.194 12.266 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.840 22.698 11.646 1.00 0.00 H new ATOM 565 N ILE A 36 15.089 23.315 5.741 1.00 0.00 N ATOM 566 CA ILE A 36 13.750 23.258 5.167 1.00 0.00 C ATOM 567 C ILE A 36 13.659 22.045 4.238 1.00 0.00 C ATOM 568 O ILE A 36 12.598 21.437 4.101 1.00 0.00 O ATOM 569 CB ILE A 36 13.436 24.570 4.438 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.467 25.728 5.449 1.00 0.00 C ATOM 571 CG2 ILE A 36 12.068 24.481 3.754 1.00 0.00 C ATOM 572 CD1 ILE A 36 13.238 27.087 4.782 1.00 0.00 C ATOM 0 H ILE A 36 15.682 24.049 5.353 1.00 0.00 H new ATOM 0 HA ILE A 36 13.004 23.141 5.953 1.00 0.00 H new ATOM 0 HB ILE A 36 14.186 24.750 3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.702 25.565 6.209 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.429 25.735 5.961 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.857 25.419 3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.075 23.665 3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.298 24.296 4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.269 27.873 5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.018 27.265 4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.264 27.092 4.292 1.00 0.00 H new ATOM 584 N GLU A 37 14.780 21.688 3.603 1.00 0.00 N ATOM 585 CA GLU A 37 14.865 20.495 2.769 1.00 0.00 C ATOM 586 C GLU A 37 14.765 19.239 3.630 1.00 0.00 C ATOM 587 O GLU A 37 14.232 18.221 3.192 1.00 0.00 O ATOM 588 CB GLU A 37 16.199 20.499 2.014 1.00 0.00 C ATOM 589 CG GLU A 37 16.277 21.691 1.059 1.00 0.00 C ATOM 590 CD GLU A 37 17.617 21.751 0.330 1.00 0.00 C ATOM 591 OE1 GLU A 37 18.485 20.891 0.593 1.00 0.00 O ATOM 592 OE2 GLU A 37 17.769 22.676 -0.497 1.00 0.00 O ATOM 0 H GLU A 37 15.649 22.219 3.655 1.00 0.00 H new ATOM 0 HA GLU A 37 14.039 20.497 2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.024 20.542 2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.308 19.570 1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.470 21.625 0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.126 22.614 1.618 1.00 0.00 H new ATOM 599 N ARG A 38 15.278 19.312 4.864 1.00 0.00 N ATOM 600 CA ARG A 38 15.217 18.224 5.827 1.00 0.00 C ATOM 601 C ARG A 38 13.850 18.167 6.511 1.00 0.00 C ATOM 602 O ARG A 38 13.463 17.121 7.026 1.00 0.00 O ATOM 603 CB ARG A 38 16.357 18.432 6.831 1.00 0.00 C ATOM 604 CG ARG A 38 16.266 17.473 8.018 1.00 0.00 C ATOM 605 CD ARG A 38 17.526 17.585 8.875 1.00 0.00 C ATOM 606 NE ARG A 38 17.448 16.696 10.041 1.00 0.00 N ATOM 607 CZ ARG A 38 17.967 15.467 10.101 1.00 0.00 C ATOM 608 NH1 ARG A 38 18.595 14.940 9.052 1.00 0.00 N ATOM 609 NH2 ARG A 38 17.859 14.758 11.220 1.00 0.00 N ATOM 0 H ARG A 38 15.752 20.143 5.219 1.00 0.00 H new ATOM 0 HA ARG A 38 15.340 17.263 5.328 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.313 18.292 6.326 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.336 19.459 7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 38 15.386 17.705 8.618 1.00 0.00 H new ATOM 0 HG3 ARG A 38 16.148 16.450 7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.401 17.331 8.277 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.655 18.615 9.206 1.00 0.00 H new ATOM 0 HE ARG A 38 16.961 17.043 10.867 1.00 0.00 H new ATOM 0 HH11 ARG A 38 18.684 15.476 8.189 1.00 0.00 H new ATOM 0 HH12 ARG A 38 18.987 14.000 9.111 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.381 15.153 12.030 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.254 13.819 11.269 1.00 0.00 H new ATOM 623 N GLN A 39 13.119 19.286 6.513 1.00 0.00 N ATOM 624 CA GLN A 39 11.816 19.381 7.152 1.00 0.00 C ATOM 625 C GLN A 39 10.706 18.834 6.259 1.00 0.00 C ATOM 626 O GLN A 39 9.714 18.308 6.758 1.00 0.00 O ATOM 627 CB GLN A 39 11.553 20.853 7.480 1.00 0.00 C ATOM 628 CG GLN A 39 10.126 21.113 7.970 1.00 0.00 C ATOM 629 CD GLN A 39 9.772 20.334 9.232 1.00 0.00 C ATOM 630 OE1 GLN A 39 10.641 19.977 10.022 1.00 0.00 O ATOM 631 NE2 GLN A 39 8.484 20.065 9.431 1.00 0.00 N ATOM 0 H GLN A 39 13.422 20.152 6.067 1.00 0.00 H new ATOM 0 HA GLN A 39 11.820 18.778 8.060 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.258 21.181 8.244 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.742 21.456 6.592 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.004 22.179 8.163 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.424 20.849 7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.787 20.377 8.754 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.193 19.547 10.260 1.00 0.00 H new ATOM 640 N PHE A 40 10.871 18.952 4.938 1.00 0.00 N ATOM 641 CA PHE A 40 9.855 18.545 3.979 1.00 0.00 C ATOM 642 C PHE A 40 10.316 17.543 2.924 1.00 0.00 C ATOM 643 O PHE A 40 9.578 17.250 1.986 1.00 0.00 O ATOM 644 CB PHE A 40 9.168 19.769 3.375 1.00 0.00 C ATOM 645 CG PHE A 40 8.347 20.573 4.358 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.621 21.936 4.530 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.320 19.970 5.097 1.00 0.00 C ATOM 648 CE1 PHE A 40 7.870 22.698 5.436 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.573 20.730 6.010 1.00 0.00 C ATOM 650 CZ PHE A 40 6.848 22.094 6.180 1.00 0.00 C ATOM 0 H PHE A 40 11.715 19.333 4.509 1.00 0.00 H new ATOM 0 HA PHE A 40 9.119 17.978 4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.927 20.418 2.938 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.521 19.443 2.561 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.413 22.401 3.963 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.104 18.920 4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.079 23.750 5.560 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.785 20.263 6.583 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.273 22.678 6.883 1.00 0.00 H new ATOM 660 N ASN A 41 11.537 17.019 3.082 1.00 0.00 N ATOM 661 CA ASN A 41 12.157 16.092 2.142 1.00 0.00 C ATOM 662 C ASN A 41 12.259 16.677 0.727 1.00 0.00 C ATOM 663 O ASN A 41 12.497 15.946 -0.236 1.00 0.00 O ATOM 664 CB ASN A 41 11.442 14.735 2.171 1.00 0.00 C ATOM 665 CG ASN A 41 11.427 14.124 3.567 1.00 0.00 C ATOM 666 OD1 ASN A 41 12.309 14.380 4.380 1.00 0.00 O ATOM 667 ND2 ASN A 41 10.416 13.308 3.849 1.00 0.00 N ATOM 0 H ASN A 41 12.129 17.235 3.884 1.00 0.00 H new ATOM 0 HA ASN A 41 13.185 15.927 2.465 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.418 14.858 1.819 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.936 14.051 1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.355 12.870 4.768 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.701 13.120 3.146 1.00 0.00 H new ATOM 674 N CYS A 42 12.083 17.995 0.604 1.00 0.00 N ATOM 675 CA CYS A 42 12.155 18.701 -0.664 1.00 0.00 C ATOM 676 C CYS A 42 13.588 19.168 -0.927 1.00 0.00 C ATOM 677 O CYS A 42 14.500 18.852 -0.168 1.00 0.00 O ATOM 678 CB CYS A 42 11.197 19.894 -0.607 1.00 0.00 C ATOM 679 SG CYS A 42 11.775 21.069 0.647 1.00 0.00 S ATOM 0 H CYS A 42 11.884 18.604 1.397 1.00 0.00 H new ATOM 0 HA CYS A 42 11.866 18.039 -1.480 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.146 20.380 -1.581 1.00 0.00 H new ATOM 0 HB3 CYS A 42 10.189 19.555 -0.367 1.00 0.00 H new ATOM 0 HG CYS A 42 11.617 22.283 0.210 1.00 0.00 H new ATOM 685 N VAL A 43 13.776 19.928 -2.008 1.00 0.00 N ATOM 686 CA VAL A 43 15.042 20.554 -2.354 1.00 0.00 C ATOM 687 C VAL A 43 14.742 21.997 -2.758 1.00 0.00 C ATOM 688 O VAL A 43 13.692 22.269 -3.337 1.00 0.00 O ATOM 689 CB VAL A 43 15.723 19.776 -3.487 1.00 0.00 C ATOM 690 CG1 VAL A 43 16.976 20.505 -3.974 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.125 18.382 -3.009 1.00 0.00 C ATOM 0 H VAL A 43 13.033 20.126 -2.678 1.00 0.00 H new ATOM 0 HA VAL A 43 15.730 20.547 -1.509 1.00 0.00 H new ATOM 0 HB VAL A 43 15.009 19.696 -4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.441 19.933 -4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.702 21.493 -4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.680 20.609 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.607 17.843 -3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.818 18.470 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.237 17.837 -2.688 1.00 0.00 H new ATOM 701 N ILE A 44 15.656 22.920 -2.459 1.00 0.00 N ATOM 702 CA ILE A 44 15.467 24.335 -2.750 1.00 0.00 C ATOM 703 C ILE A 44 16.726 24.910 -3.392 1.00 0.00 C ATOM 704 O ILE A 44 17.842 24.543 -3.025 1.00 0.00 O ATOM 705 CB ILE A 44 15.087 25.093 -1.468 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.788 24.519 -0.884 1.00 0.00 C ATOM 707 CG2 ILE A 44 14.929 26.590 -1.753 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.393 25.213 0.421 1.00 0.00 C ATOM 0 H ILE A 44 16.546 22.705 -2.009 1.00 0.00 H new ATOM 0 HA ILE A 44 14.648 24.452 -3.460 1.00 0.00 H new ATOM 0 HB ILE A 44 15.887 24.967 -0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.984 24.629 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.912 23.451 -0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.660 27.109 -0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.869 26.989 -2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.145 26.738 -2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.469 24.777 0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.185 25.081 1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.243 26.277 0.236 1.00 0.00 H new ATOM 720 N THR A 45 16.543 25.818 -4.355 1.00 0.00 N ATOM 721 CA THR A 45 17.641 26.465 -5.057 1.00 0.00 C ATOM 722 C THR A 45 17.460 27.959 -5.291 1.00 0.00 C ATOM 723 O THR A 45 16.502 28.375 -5.934 1.00 0.00 O ATOM 724 CB THR A 45 17.996 25.733 -6.356 1.00 0.00 C ATOM 725 OG1 THR A 45 17.832 24.340 -6.217 1.00 0.00 O ATOM 726 CG2 THR A 45 19.429 26.047 -6.783 1.00 0.00 C ATOM 0 H THR A 45 15.621 26.123 -4.667 1.00 0.00 H new ATOM 0 HA THR A 45 18.487 26.388 -4.374 1.00 0.00 H new ATOM 0 HB THR A 45 17.313 26.087 -7.128 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.064 23.898 -7.060 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.658 25.516 -7.707 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.534 27.120 -6.945 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.119 25.729 -6.002 1.00 0.00 H new ATOM 734 N VAL A 46 18.387 28.764 -4.767 1.00 0.00 N ATOM 735 CA VAL A 46 18.388 30.198 -5.007 1.00 0.00 C ATOM 736 C VAL A 46 19.211 30.512 -6.250 1.00 0.00 C ATOM 737 O VAL A 46 20.196 29.829 -6.529 1.00 0.00 O ATOM 738 CB VAL A 46 18.863 30.965 -3.766 1.00 0.00 C ATOM 739 CG1 VAL A 46 18.679 32.468 -3.978 1.00 0.00 C ATOM 740 CG2 VAL A 46 18.055 30.538 -2.537 1.00 0.00 C ATOM 0 H VAL A 46 19.148 28.439 -4.171 1.00 0.00 H new ATOM 0 HA VAL A 46 17.369 30.534 -5.197 1.00 0.00 H new ATOM 0 HB VAL A 46 19.917 30.740 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 46 19.019 33.005 -3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.262 32.788 -4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.625 32.685 -4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 46 18.402 31.090 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.999 30.750 -2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.188 29.469 -2.367 1.00 0.00 H new ATOM 750 N HIS A 47 18.815 31.547 -6.995 1.00 0.00 N ATOM 751 CA HIS A 47 19.444 31.909 -8.255 1.00 0.00 C ATOM 752 C HIS A 47 19.895 33.367 -8.242 1.00 0.00 C ATOM 753 O HIS A 47 19.389 34.189 -9.005 1.00 0.00 O ATOM 754 CB HIS A 47 18.474 31.587 -9.397 1.00 0.00 C ATOM 755 CG HIS A 47 18.390 30.113 -9.685 1.00 0.00 C ATOM 756 ND1 HIS A 47 19.369 29.356 -10.302 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.334 29.285 -9.413 1.00 0.00 C ATOM 758 CE1 HIS A 47 18.914 28.091 -10.404 1.00 0.00 C ATOM 759 NE2 HIS A 47 17.679 28.028 -9.874 1.00 0.00 N ATOM 0 H HIS A 47 18.042 32.159 -6.733 1.00 0.00 H new ATOM 0 HA HIS A 47 20.351 31.324 -8.408 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.482 31.961 -9.143 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.792 32.112 -10.298 1.00 0.00 H new ATOM 0 HD1 HIS A 47 20.276 29.695 -10.623 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.408 29.561 -8.930 1.00 0.00 H new ATOM 0 HE1 HIS A 47 19.453 27.263 -10.840 1.00 0.00 H new ATOM 0 HE2 HIS A 47 17.095 27.193 -9.821 1.00 0.00 H new ATOM 768 N THR A 48 20.849 33.691 -7.366 1.00 0.00 N ATOM 769 CA THR A 48 21.381 35.046 -7.236 1.00 0.00 C ATOM 770 C THR A 48 22.087 35.594 -8.473 1.00 0.00 C ATOM 771 O THR A 48 22.360 36.791 -8.551 1.00 0.00 O ATOM 772 CB THR A 48 22.220 35.222 -5.968 1.00 0.00 C ATOM 773 OG1 THR A 48 23.570 34.912 -6.238 1.00 0.00 O ATOM 774 CG2 THR A 48 21.734 34.350 -4.807 1.00 0.00 C ATOM 0 H THR A 48 21.274 33.019 -6.727 1.00 0.00 H new ATOM 0 HA THR A 48 20.492 35.669 -7.138 1.00 0.00 H new ATOM 0 HB THR A 48 22.115 36.264 -5.667 1.00 0.00 H new ATOM 0 HG1 THR A 48 24.102 35.028 -5.423 1.00 0.00 H new ATOM 0 HG21 THR A 48 22.367 34.518 -3.936 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.704 34.611 -4.563 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.784 33.300 -5.095 1.00 0.00 H new ATOM 782 N GLU A 49 22.380 34.728 -9.450 1.00 0.00 N ATOM 783 CA GLU A 49 22.920 35.147 -10.733 1.00 0.00 C ATOM 784 C GLU A 49 21.815 35.785 -11.584 1.00 0.00 C ATOM 785 O GLU A 49 22.060 36.197 -12.717 1.00 0.00 O ATOM 786 CB GLU A 49 23.590 33.968 -11.458 1.00 0.00 C ATOM 787 CG GLU A 49 22.622 32.877 -11.943 1.00 0.00 C ATOM 788 CD GLU A 49 22.159 31.915 -10.845 1.00 0.00 C ATOM 789 OE1 GLU A 49 22.639 32.034 -9.694 1.00 0.00 O ATOM 790 OE2 GLU A 49 21.313 31.051 -11.169 1.00 0.00 O ATOM 0 H GLU A 49 22.247 33.720 -9.366 1.00 0.00 H new ATOM 0 HA GLU A 49 23.692 35.898 -10.564 1.00 0.00 H new ATOM 0 HB2 GLU A 49 24.141 34.353 -12.316 1.00 0.00 H new ATOM 0 HB3 GLU A 49 24.320 33.515 -10.788 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.747 33.354 -12.385 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.106 32.303 -12.733 1.00 0.00 H new ATOM 797 N VAL A 50 20.598 35.867 -11.034 1.00 0.00 N ATOM 798 CA VAL A 50 19.453 36.523 -11.646 1.00 0.00 C ATOM 799 C VAL A 50 18.941 37.661 -10.773 1.00 0.00 C ATOM 800 O VAL A 50 19.005 37.576 -9.548 1.00 0.00 O ATOM 801 CB VAL A 50 18.340 35.521 -11.957 1.00 0.00 C ATOM 802 CG1 VAL A 50 17.291 36.143 -12.879 1.00 0.00 C ATOM 803 CG2 VAL A 50 18.888 34.245 -12.603 1.00 0.00 C ATOM 0 H VAL A 50 20.384 35.464 -10.122 1.00 0.00 H new ATOM 0 HA VAL A 50 19.784 36.952 -12.592 1.00 0.00 H new ATOM 0 HB VAL A 50 17.878 35.256 -11.006 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.510 35.412 -13.086 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.852 37.016 -12.395 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.762 36.446 -13.814 1.00 0.00 H new ATOM 0 HG21 VAL A 50 18.066 33.559 -12.808 1.00 0.00 H new ATOM 0 HG22 VAL A 50 19.392 34.497 -13.536 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.597 33.769 -11.925 1.00 0.00 H new ATOM 813 N GLN A 51 18.429 38.724 -11.393 1.00 0.00 N ATOM 814 CA GLN A 51 17.859 39.843 -10.664 1.00 0.00 C ATOM 815 C GLN A 51 16.833 40.566 -11.529 1.00 0.00 C ATOM 816 O GLN A 51 17.165 41.075 -12.601 1.00 0.00 O ATOM 817 CB GLN A 51 18.981 40.789 -10.227 1.00 0.00 C ATOM 818 CG GLN A 51 18.421 42.039 -9.541 1.00 0.00 C ATOM 819 CD GLN A 51 19.518 42.915 -8.953 1.00 0.00 C ATOM 820 OE1 GLN A 51 20.695 42.568 -8.973 1.00 0.00 O ATOM 821 NE2 GLN A 51 19.140 44.074 -8.419 1.00 0.00 N ATOM 0 H GLN A 51 18.400 38.828 -12.407 1.00 0.00 H new ATOM 0 HA GLN A 51 17.346 39.478 -9.774 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.654 40.268 -9.545 1.00 0.00 H new ATOM 0 HB3 GLN A 51 19.571 41.082 -11.095 1.00 0.00 H new ATOM 0 HG2 GLN A 51 17.843 42.618 -10.261 1.00 0.00 H new ATOM 0 HG3 GLN A 51 17.734 41.740 -8.749 1.00 0.00 H new ATOM 0 HE21 GLN A 51 18.154 44.337 -8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 51 19.836 44.699 -8.013 1.00 0.00 H new ATOM 830 N SER A 52 15.582 40.607 -11.060 1.00 0.00 N ATOM 831 CA SER A 52 14.507 41.304 -11.752 1.00 0.00 C ATOM 832 C SER A 52 14.585 42.806 -11.492 1.00 0.00 C ATOM 833 O SER A 52 15.282 43.253 -10.581 1.00 0.00 O ATOM 834 CB SER A 52 13.163 40.733 -11.298 1.00 0.00 C ATOM 835 OG SER A 52 12.113 41.424 -11.937 1.00 0.00 O ATOM 0 H SER A 52 15.292 40.157 -10.192 1.00 0.00 H new ATOM 0 HA SER A 52 14.609 41.153 -12.827 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.110 39.670 -11.535 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.065 40.823 -10.216 1.00 0.00 H new ATOM 0 HG SER A 52 11.278 41.278 -11.445 1.00 0.00 H new ATOM 841 N SER A 53 13.862 43.591 -12.294 1.00 0.00 N ATOM 842 CA SER A 53 13.862 45.040 -12.184 1.00 0.00 C ATOM 843 C SER A 53 13.226 45.491 -10.871 1.00 0.00 C ATOM 844 O SER A 53 13.417 46.637 -10.464 1.00 0.00 O ATOM 845 CB SER A 53 13.109 45.635 -13.375 1.00 0.00 C ATOM 846 OG SER A 53 11.749 45.244 -13.343 1.00 0.00 O ATOM 0 H SER A 53 13.261 43.233 -13.037 1.00 0.00 H new ATOM 0 HA SER A 53 14.893 45.395 -12.190 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.182 46.722 -13.353 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.568 45.303 -14.306 1.00 0.00 H new ATOM 0 HG SER A 53 11.279 45.633 -14.110 1.00 0.00 H new ATOM 852 N PHE A 54 12.479 44.603 -10.206 1.00 0.00 N ATOM 853 CA PHE A 54 11.895 44.893 -8.902 1.00 0.00 C ATOM 854 C PHE A 54 12.804 44.698 -7.687 1.00 0.00 C ATOM 855 O PHE A 54 12.353 44.801 -6.547 1.00 0.00 O ATOM 856 CB PHE A 54 10.464 44.370 -8.745 1.00 0.00 C ATOM 857 CG PHE A 54 10.208 42.984 -9.298 1.00 0.00 C ATOM 858 CD1 PHE A 54 10.817 41.870 -8.702 1.00 0.00 C ATOM 859 CD2 PHE A 54 9.356 42.808 -10.398 1.00 0.00 C ATOM 860 CE1 PHE A 54 10.554 40.581 -9.188 1.00 0.00 C ATOM 861 CE2 PHE A 54 9.094 41.519 -10.886 1.00 0.00 C ATOM 862 CZ PHE A 54 9.691 40.406 -10.276 1.00 0.00 C ATOM 0 H PHE A 54 12.266 43.670 -10.558 1.00 0.00 H new ATOM 0 HA PHE A 54 11.797 45.979 -8.906 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.211 44.371 -7.685 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.786 45.068 -9.235 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.489 42.005 -7.868 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.901 43.666 -10.870 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.017 39.723 -8.723 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.434 41.384 -11.730 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.485 39.413 -10.646 1.00 0.00 H new ATOM 872 N GLY A 55 14.091 44.416 -7.924 1.00 0.00 N ATOM 873 CA GLY A 55 15.071 44.286 -6.856 1.00 0.00 C ATOM 874 C GLY A 55 14.919 42.975 -6.092 1.00 0.00 C ATOM 875 O GLY A 55 15.010 42.965 -4.864 1.00 0.00 O ATOM 0 H GLY A 55 14.474 44.273 -8.859 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.075 44.345 -7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.966 45.122 -6.165 1.00 0.00 H new ATOM 879 N ALA A 56 14.688 41.869 -6.807 1.00 0.00 N ATOM 880 CA ALA A 56 14.494 40.571 -6.175 1.00 0.00 C ATOM 881 C ALA A 56 15.227 39.453 -6.912 1.00 0.00 C ATOM 882 O ALA A 56 15.517 39.560 -8.103 1.00 0.00 O ATOM 883 CB ALA A 56 12.999 40.272 -6.095 1.00 0.00 C ATOM 0 H ALA A 56 14.632 41.853 -7.825 1.00 0.00 H new ATOM 0 HA ALA A 56 14.919 40.614 -5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.847 39.301 -5.623 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.505 41.044 -5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.577 40.257 -7.100 1.00 0.00 H new ATOM 889 N THR A 57 15.517 38.376 -6.176 1.00 0.00 N ATOM 890 CA THR A 57 16.213 37.201 -6.675 1.00 0.00 C ATOM 891 C THR A 57 15.182 36.071 -6.692 1.00 0.00 C ATOM 892 O THR A 57 14.447 35.901 -5.718 1.00 0.00 O ATOM 893 CB THR A 57 17.344 36.866 -5.698 1.00 0.00 C ATOM 894 OG1 THR A 57 18.425 37.742 -5.923 1.00 0.00 O ATOM 895 CG2 THR A 57 17.835 35.428 -5.863 1.00 0.00 C ATOM 0 H THR A 57 15.264 38.302 -5.191 1.00 0.00 H new ATOM 0 HA THR A 57 16.637 37.354 -7.668 1.00 0.00 H new ATOM 0 HB THR A 57 16.953 36.978 -4.687 1.00 0.00 H new ATOM 0 HG1 THR A 57 19.151 37.533 -5.299 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.637 35.233 -5.151 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.011 34.739 -5.679 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.208 35.285 -6.877 1.00 0.00 H new ATOM 903 N PRO A 58 15.109 35.294 -7.779 1.00 0.00 N ATOM 904 CA PRO A 58 14.197 34.174 -7.902 1.00 0.00 C ATOM 905 C PRO A 58 14.750 32.933 -7.200 1.00 0.00 C ATOM 906 O PRO A 58 15.962 32.784 -7.041 1.00 0.00 O ATOM 907 CB PRO A 58 14.071 33.942 -9.404 1.00 0.00 C ATOM 908 CG PRO A 58 15.459 34.321 -9.920 1.00 0.00 C ATOM 909 CD PRO A 58 15.896 35.450 -8.989 1.00 0.00 C ATOM 0 HA PRO A 58 13.234 34.377 -7.434 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.822 32.906 -9.634 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.291 34.563 -9.846 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.147 33.477 -9.876 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.424 34.650 -10.959 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.962 35.387 -8.772 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.721 36.424 -9.446 1.00 0.00 H new ATOM 917 N VAL A 59 13.845 32.043 -6.788 1.00 0.00 N ATOM 918 CA VAL A 59 14.175 30.761 -6.178 1.00 0.00 C ATOM 919 C VAL A 59 13.324 29.621 -6.727 1.00 0.00 C ATOM 920 O VAL A 59 12.239 29.861 -7.252 1.00 0.00 O ATOM 921 CB VAL A 59 14.192 30.811 -4.640 1.00 0.00 C ATOM 922 CG1 VAL A 59 14.537 32.203 -4.107 1.00 0.00 C ATOM 923 CG2 VAL A 59 12.844 30.402 -4.047 1.00 0.00 C ATOM 0 H VAL A 59 12.841 32.201 -6.873 1.00 0.00 H new ATOM 0 HA VAL A 59 15.202 30.543 -6.471 1.00 0.00 H new ATOM 0 HB VAL A 59 14.965 30.105 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.536 32.186 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 59 15.524 32.495 -4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.797 32.921 -4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.895 30.450 -2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.069 31.080 -4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.605 29.384 -4.355 1.00 0.00 H new ATOM 933 N GLU A 60 13.810 28.384 -6.606 1.00 0.00 N ATOM 934 CA GLU A 60 13.122 27.202 -7.107 1.00 0.00 C ATOM 935 C GLU A 60 13.001 26.140 -6.020 1.00 0.00 C ATOM 936 O GLU A 60 13.809 26.106 -5.092 1.00 0.00 O ATOM 937 CB GLU A 60 13.865 26.646 -8.326 1.00 0.00 C ATOM 938 CG GLU A 60 13.733 27.594 -9.519 1.00 0.00 C ATOM 939 CD GLU A 60 14.628 27.180 -10.686 1.00 0.00 C ATOM 940 OE1 GLU A 60 15.507 26.314 -10.476 1.00 0.00 O ATOM 941 OE2 GLU A 60 14.427 27.736 -11.788 1.00 0.00 O ATOM 0 H GLU A 60 14.700 28.177 -6.153 1.00 0.00 H new ATOM 0 HA GLU A 60 12.114 27.487 -7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.918 26.504 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.464 25.667 -8.587 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.695 27.617 -9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.990 28.606 -9.207 1.00 0.00 H new ATOM 948 N ILE A 61 11.989 25.276 -6.137 1.00 0.00 N ATOM 949 CA ILE A 61 11.727 24.209 -5.181 1.00 0.00 C ATOM 950 C ILE A 61 11.412 22.926 -5.940 1.00 0.00 C ATOM 951 O ILE A 61 10.823 22.981 -7.018 1.00 0.00 O ATOM 952 CB ILE A 61 10.570 24.600 -4.244 1.00 0.00 C ATOM 953 CG1 ILE A 61 10.830 25.971 -3.607 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.357 23.526 -3.171 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.674 26.421 -2.715 1.00 0.00 C ATOM 0 H ILE A 61 11.323 25.302 -6.909 1.00 0.00 H new ATOM 0 HA ILE A 61 12.609 24.045 -4.562 1.00 0.00 H new ATOM 0 HB ILE A 61 9.657 24.671 -4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.746 25.928 -3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.990 26.710 -4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.535 23.821 -2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.118 22.576 -3.649 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.267 23.416 -2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.904 27.396 -2.286 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.762 26.491 -3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.530 25.697 -1.913 1.00 0.00 H new ATOM 967 N VAL A 62 11.803 21.776 -5.385 1.00 0.00 N ATOM 968 CA VAL A 62 11.568 20.469 -5.984 1.00 0.00 C ATOM 969 C VAL A 62 11.150 19.441 -4.935 1.00 0.00 C ATOM 970 O VAL A 62 11.661 19.454 -3.816 1.00 0.00 O ATOM 971 CB VAL A 62 12.804 19.995 -6.757 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.498 18.730 -7.554 1.00 0.00 C ATOM 973 CG2 VAL A 62 13.311 21.069 -7.721 1.00 0.00 C ATOM 0 H VAL A 62 12.298 21.731 -4.494 1.00 0.00 H new ATOM 0 HA VAL A 62 10.743 20.570 -6.690 1.00 0.00 H new ATOM 0 HB VAL A 62 13.576 19.786 -6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.391 18.415 -8.093 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.186 17.938 -6.873 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.697 18.933 -8.265 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.188 20.697 -8.251 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.528 21.312 -8.440 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.579 21.964 -7.160 1.00 0.00 H new ATOM 983 N ALA A 63 10.228 18.548 -5.293 1.00 0.00 N ATOM 984 CA ALA A 63 9.763 17.489 -4.412 1.00 0.00 C ATOM 985 C ALA A 63 9.115 16.373 -5.229 1.00 0.00 C ATOM 986 O ALA A 63 8.838 16.547 -6.413 1.00 0.00 O ATOM 987 CB ALA A 63 8.759 18.058 -3.412 1.00 0.00 C ATOM 0 H ALA A 63 9.782 18.543 -6.210 1.00 0.00 H new ATOM 0 HA ALA A 63 10.613 17.076 -3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.412 17.263 -2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.238 18.838 -2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.910 18.481 -3.949 1.00 0.00 H new ATOM 993 N GLN A 64 8.868 15.222 -4.598 1.00 0.00 N ATOM 994 CA GLN A 64 8.259 14.083 -5.277 1.00 0.00 C ATOM 995 C GLN A 64 6.796 14.369 -5.626 1.00 0.00 C ATOM 996 O GLN A 64 6.259 13.778 -6.563 1.00 0.00 O ATOM 997 CB GLN A 64 8.381 12.857 -4.367 1.00 0.00 C ATOM 998 CG GLN A 64 7.851 11.580 -5.029 1.00 0.00 C ATOM 999 CD GLN A 64 8.678 11.163 -6.241 1.00 0.00 C ATOM 1000 OE1 GLN A 64 9.822 11.578 -6.404 1.00 0.00 O ATOM 1001 NE2 GLN A 64 8.106 10.332 -7.108 1.00 0.00 N ATOM 0 H GLN A 64 9.083 15.057 -3.614 1.00 0.00 H new ATOM 0 HA GLN A 64 8.777 13.894 -6.217 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.426 12.714 -4.094 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.832 13.038 -3.443 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.849 10.770 -4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.817 11.736 -5.335 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.154 10.003 -6.947 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.619 10.024 -7.934 1.00 0.00 H new ATOM 1010 N ASN A 65 6.144 15.273 -4.885 1.00 0.00 N ATOM 1011 CA ASN A 65 4.751 15.632 -5.116 1.00 0.00 C ATOM 1012 C ASN A 65 4.435 17.018 -4.547 1.00 0.00 C ATOM 1013 O ASN A 65 5.248 17.610 -3.834 1.00 0.00 O ATOM 1014 CB ASN A 65 3.842 14.548 -4.521 1.00 0.00 C ATOM 1015 CG ASN A 65 4.121 14.282 -3.047 1.00 0.00 C ATOM 1016 OD1 ASN A 65 4.500 15.179 -2.299 1.00 0.00 O ATOM 1017 ND2 ASN A 65 3.932 13.038 -2.615 1.00 0.00 N ATOM 0 H ASN A 65 6.574 15.774 -4.108 1.00 0.00 H new ATOM 0 HA ASN A 65 4.567 15.688 -6.189 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.801 14.849 -4.640 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.973 13.623 -5.083 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.103 12.807 -1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.616 12.316 -3.262 1.00 0.00 H new ATOM 1024 N LYS A 66 3.245 17.545 -4.855 1.00 0.00 N ATOM 1025 CA LYS A 66 2.842 18.874 -4.408 1.00 0.00 C ATOM 1026 C LYS A 66 2.592 18.912 -2.903 1.00 0.00 C ATOM 1027 O LYS A 66 2.697 19.974 -2.292 1.00 0.00 O ATOM 1028 CB LYS A 66 1.586 19.317 -5.160 1.00 0.00 C ATOM 1029 CG LYS A 66 1.854 19.403 -6.663 1.00 0.00 C ATOM 1030 CD LYS A 66 0.594 19.869 -7.394 1.00 0.00 C ATOM 1031 CE LYS A 66 0.875 19.955 -8.891 1.00 0.00 C ATOM 1032 NZ LYS A 66 -0.321 20.392 -9.635 1.00 0.00 N ATOM 0 H LYS A 66 2.543 17.064 -5.417 1.00 0.00 H new ATOM 0 HA LYS A 66 3.659 19.562 -4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.776 18.613 -4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.258 20.288 -4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.673 20.096 -6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.165 18.429 -7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.225 19.175 -7.207 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.280 20.842 -7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.693 20.653 -9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.200 18.982 -9.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.100 20.441 -10.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.093 19.712 -9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.615 21.331 -9.299 1.00 0.00 H new ATOM 1046 N GLU A 67 2.271 17.767 -2.299 1.00 0.00 N ATOM 1047 CA GLU A 67 2.016 17.669 -0.870 1.00 0.00 C ATOM 1048 C GLU A 67 3.286 17.879 -0.045 1.00 0.00 C ATOM 1049 O GLU A 67 3.218 17.928 1.183 1.00 0.00 O ATOM 1050 CB GLU A 67 1.372 16.318 -0.537 1.00 0.00 C ATOM 1051 CG GLU A 67 -0.050 16.192 -1.104 1.00 0.00 C ATOM 1052 CD GLU A 67 -0.101 15.808 -2.584 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -1.232 15.771 -3.121 1.00 0.00 O ATOM 1054 OE2 GLU A 67 0.972 15.553 -3.172 1.00 0.00 O ATOM 0 H GLU A 67 2.181 16.880 -2.794 1.00 0.00 H new ATOM 0 HA GLU A 67 1.324 18.468 -0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.992 15.515 -0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.342 16.190 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.595 15.445 -0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.569 17.141 -0.968 1.00 0.00 H new ATOM 1061 N GLN A 68 4.445 18.005 -0.701 1.00 0.00 N ATOM 1062 CA GLN A 68 5.708 18.286 -0.035 1.00 0.00 C ATOM 1063 C GLN A 68 6.396 19.509 -0.641 1.00 0.00 C ATOM 1064 O GLN A 68 7.258 20.105 0.004 1.00 0.00 O ATOM 1065 CB GLN A 68 6.613 17.052 -0.131 1.00 0.00 C ATOM 1066 CG GLN A 68 6.020 15.839 0.598 1.00 0.00 C ATOM 1067 CD GLN A 68 5.862 16.075 2.095 1.00 0.00 C ATOM 1068 OE1 GLN A 68 4.871 15.660 2.690 1.00 0.00 O ATOM 1069 NE2 GLN A 68 6.830 16.738 2.723 1.00 0.00 N ATOM 0 H GLN A 68 4.527 17.913 -1.714 1.00 0.00 H new ATOM 0 HA GLN A 68 5.511 18.512 1.013 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.772 16.801 -1.180 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.590 17.286 0.292 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.048 15.600 0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.662 14.973 0.436 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.641 17.071 2.202 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.761 16.914 3.725 1.00 0.00 H new ATOM 1078 N CYS A 69 6.034 19.896 -1.871 1.00 0.00 N ATOM 1079 CA CYS A 69 6.636 21.055 -2.513 1.00 0.00 C ATOM 1080 C CYS A 69 5.973 22.331 -1.998 1.00 0.00 C ATOM 1081 O CYS A 69 6.645 23.342 -1.793 1.00 0.00 O ATOM 1082 CB CYS A 69 6.422 20.928 -4.023 1.00 0.00 C ATOM 1083 SG CYS A 69 7.544 22.060 -4.884 1.00 0.00 S ATOM 0 H CYS A 69 5.329 19.420 -2.434 1.00 0.00 H new ATOM 0 HA CYS A 69 7.702 21.102 -2.288 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.606 19.902 -4.343 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.388 21.160 -4.276 1.00 0.00 H new ATOM 0 HG CYS A 69 7.367 21.954 -6.167 1.00 0.00 H new ATOM 1089 N GLN A 70 4.653 22.291 -1.786 1.00 0.00 N ATOM 1090 CA GLN A 70 3.899 23.455 -1.338 1.00 0.00 C ATOM 1091 C GLN A 70 4.180 23.782 0.125 1.00 0.00 C ATOM 1092 O GLN A 70 4.063 24.937 0.531 1.00 0.00 O ATOM 1093 CB GLN A 70 2.400 23.192 -1.505 1.00 0.00 C ATOM 1094 CG GLN A 70 1.991 23.051 -2.976 1.00 0.00 C ATOM 1095 CD GLN A 70 2.093 24.361 -3.749 1.00 0.00 C ATOM 1096 OE1 GLN A 70 2.383 25.415 -3.190 1.00 0.00 O ATOM 1097 NE2 GLN A 70 1.848 24.302 -5.056 1.00 0.00 N ATOM 0 H GLN A 70 4.085 21.454 -1.921 1.00 0.00 H new ATOM 0 HA GLN A 70 4.210 24.304 -1.947 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.131 22.283 -0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.838 24.008 -1.051 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.624 22.303 -3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.967 22.683 -3.029 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.610 23.410 -5.490 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.899 25.148 -5.623 1.00 0.00 H new ATOM 1106 N GLU A 71 4.549 22.780 0.928 1.00 0.00 N ATOM 1107 CA GLU A 71 4.801 22.999 2.344 1.00 0.00 C ATOM 1108 C GLU A 71 6.073 23.817 2.541 1.00 0.00 C ATOM 1109 O GLU A 71 6.163 24.608 3.480 1.00 0.00 O ATOM 1110 CB GLU A 71 4.917 21.649 3.058 1.00 0.00 C ATOM 1111 CG GLU A 71 3.670 20.778 2.853 1.00 0.00 C ATOM 1112 CD GLU A 71 2.398 21.382 3.454 1.00 0.00 C ATOM 1113 OE1 GLU A 71 2.516 22.367 4.214 1.00 0.00 O ATOM 1114 OE2 GLU A 71 1.307 20.846 3.143 1.00 0.00 O ATOM 0 H GLU A 71 4.678 21.817 0.618 1.00 0.00 H new ATOM 0 HA GLU A 71 3.969 23.559 2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.794 21.118 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.071 21.815 4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.518 20.620 1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.843 19.798 3.299 1.00 0.00 H new ATOM 1121 N ALA A 72 7.058 23.634 1.655 1.00 0.00 N ATOM 1122 CA ALA A 72 8.294 24.395 1.703 1.00 0.00 C ATOM 1123 C ALA A 72 8.105 25.760 1.041 1.00 0.00 C ATOM 1124 O ALA A 72 8.770 26.725 1.411 1.00 0.00 O ATOM 1125 CB ALA A 72 9.383 23.595 0.991 1.00 0.00 C ATOM 0 H ALA A 72 7.014 22.957 0.893 1.00 0.00 H new ATOM 0 HA ALA A 72 8.585 24.567 2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.320 24.152 1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.517 22.636 1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.091 23.425 -0.045 1.00 0.00 H new ATOM 1131 N ARG A 73 7.197 25.847 0.065 1.00 0.00 N ATOM 1132 CA ARG A 73 6.916 27.091 -0.637 1.00 0.00 C ATOM 1133 C ARG A 73 6.260 28.096 0.296 1.00 0.00 C ATOM 1134 O ARG A 73 6.578 29.283 0.252 1.00 0.00 O ATOM 1135 CB ARG A 73 6.002 26.784 -1.826 1.00 0.00 C ATOM 1136 CG ARG A 73 5.412 28.041 -2.472 1.00 0.00 C ATOM 1137 CD ARG A 73 6.506 28.980 -2.985 1.00 0.00 C ATOM 1138 NE ARG A 73 5.941 30.007 -3.870 1.00 0.00 N ATOM 1139 CZ ARG A 73 5.116 30.985 -3.478 1.00 0.00 C ATOM 1140 NH1 ARG A 73 4.764 31.113 -2.202 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.636 31.845 -4.368 1.00 0.00 N ATOM 0 H ARG A 73 6.640 25.055 -0.256 1.00 0.00 H new ATOM 0 HA ARG A 73 7.848 27.530 -0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.565 26.228 -2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.189 26.138 -1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.761 27.754 -3.298 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.792 28.567 -1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.007 29.456 -2.142 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.261 28.406 -3.522 1.00 0.00 H new ATOM 0 HE ARG A 73 6.196 29.972 -4.857 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.124 30.460 -1.506 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.134 31.864 -1.920 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.896 31.760 -5.351 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.007 32.590 -4.069 1.00 0.00 H new ATOM 1155 N ASN A 74 5.347 27.627 1.145 1.00 0.00 N ATOM 1156 CA ASN A 74 4.648 28.491 2.084 1.00 0.00 C ATOM 1157 C ASN A 74 5.488 28.805 3.325 1.00 0.00 C ATOM 1158 O ASN A 74 5.112 29.672 4.113 1.00 0.00 O ATOM 1159 CB ASN A 74 3.306 27.852 2.444 1.00 0.00 C ATOM 1160 CG ASN A 74 2.303 27.993 1.306 1.00 0.00 C ATOM 1161 OD1 ASN A 74 1.732 29.060 1.107 1.00 0.00 O ATOM 1162 ND2 ASN A 74 2.080 26.917 0.557 1.00 0.00 N ATOM 0 H ASN A 74 5.075 26.645 1.199 1.00 0.00 H new ATOM 0 HA ASN A 74 4.467 29.454 1.606 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.453 26.797 2.673 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.907 28.321 3.343 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.414 26.962 -0.214 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.575 26.047 0.754 1.00 0.00 H new ATOM 1169 N ALA A 75 6.620 28.118 3.514 1.00 0.00 N ATOM 1170 CA ALA A 75 7.473 28.356 4.672 1.00 0.00 C ATOM 1171 C ALA A 75 8.449 29.504 4.418 1.00 0.00 C ATOM 1172 O ALA A 75 8.776 30.250 5.340 1.00 0.00 O ATOM 1173 CB ALA A 75 8.237 27.069 4.987 1.00 0.00 C ATOM 0 H ALA A 75 6.962 27.396 2.879 1.00 0.00 H new ATOM 0 HA ALA A 75 6.851 28.641 5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.881 27.230 5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.529 26.270 5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.847 26.788 4.128 1.00 0.00 H new ATOM 1179 N VAL A 76 8.921 29.661 3.176 1.00 0.00 N ATOM 1180 CA VAL A 76 9.933 30.661 2.854 1.00 0.00 C ATOM 1181 C VAL A 76 9.301 32.047 2.717 1.00 0.00 C ATOM 1182 O VAL A 76 10.008 33.052 2.659 1.00 0.00 O ATOM 1183 CB VAL A 76 10.671 30.234 1.578 1.00 0.00 C ATOM 1184 CG1 VAL A 76 11.737 31.246 1.151 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.362 28.890 1.810 1.00 0.00 C ATOM 0 H VAL A 76 8.614 29.104 2.378 1.00 0.00 H new ATOM 0 HA VAL A 76 10.658 30.728 3.665 1.00 0.00 H new ATOM 0 HB VAL A 76 9.923 30.166 0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.229 30.895 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.267 32.211 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.476 31.354 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.885 28.589 0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.077 28.985 2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.617 28.137 2.066 1.00 0.00 H new ATOM 1195 N MET A 77 7.971 32.120 2.663 1.00 0.00 N ATOM 1196 CA MET A 77 7.281 33.388 2.476 1.00 0.00 C ATOM 1197 C MET A 77 7.071 34.166 3.778 1.00 0.00 C ATOM 1198 O MET A 77 6.736 35.350 3.725 1.00 0.00 O ATOM 1199 CB MET A 77 5.932 33.125 1.812 1.00 0.00 C ATOM 1200 CG MET A 77 6.110 32.453 0.448 1.00 0.00 C ATOM 1201 SD MET A 77 6.734 33.537 -0.857 1.00 0.00 S ATOM 1202 CE MET A 77 8.489 33.103 -0.797 1.00 0.00 C ATOM 0 H MET A 77 7.353 31.313 2.747 1.00 0.00 H new ATOM 0 HA MET A 77 7.916 34.010 1.845 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.324 32.491 2.457 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.394 34.065 1.690 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.794 31.612 0.560 1.00 0.00 H new ATOM 0 HG3 MET A 77 5.150 32.044 0.133 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.021 33.823 -0.175 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.603 32.105 -0.374 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.902 33.119 -1.805 1.00 0.00 H new ATOM 1212 N SER A 78 7.260 33.532 4.941 1.00 0.00 N ATOM 1213 CA SER A 78 7.038 34.207 6.218 1.00 0.00 C ATOM 1214 C SER A 78 7.894 33.655 7.359 1.00 0.00 C ATOM 1215 O SER A 78 8.224 34.397 8.281 1.00 0.00 O ATOM 1216 CB SER A 78 5.562 34.081 6.608 1.00 0.00 C ATOM 1217 OG SER A 78 4.746 34.894 5.789 1.00 0.00 O ATOM 0 H SER A 78 7.563 32.561 5.021 1.00 0.00 H new ATOM 0 HA SER A 78 7.328 35.248 6.072 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.248 33.041 6.521 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.433 34.367 7.652 1.00 0.00 H new ATOM 0 HG SER A 78 5.289 35.289 5.075 1.00 0.00 H new ATOM 1223 N LEU A 79 8.260 32.370 7.313 1.00 0.00 N ATOM 1224 CA LEU A 79 9.050 31.764 8.377 1.00 0.00 C ATOM 1225 C LEU A 79 10.535 31.797 8.044 1.00 0.00 C ATOM 1226 O LEU A 79 11.356 32.123 8.900 1.00 0.00 O ATOM 1227 CB LEU A 79 8.577 30.325 8.606 1.00 0.00 C ATOM 1228 CG LEU A 79 7.076 30.237 8.893 1.00 0.00 C ATOM 1229 CD1 LEU A 79 6.697 28.772 9.093 1.00 0.00 C ATOM 1230 CD2 LEU A 79 6.712 31.020 10.154 1.00 0.00 C ATOM 0 H LEU A 79 8.020 31.736 6.551 1.00 0.00 H new ATOM 0 HA LEU A 79 8.907 32.338 9.292 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.811 29.725 7.726 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.129 29.894 9.441 1.00 0.00 H new ATOM 0 HG LEU A 79 6.534 30.665 8.050 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.629 28.697 9.298 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.933 28.209 8.190 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.258 28.363 9.933 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.640 30.941 10.335 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.255 30.611 11.006 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.981 32.068 10.022 1.00 0.00 H new ATOM 1242 N MET A 80 10.871 31.459 6.794 1.00 0.00 N ATOM 1243 CA MET A 80 12.235 31.405 6.271 1.00 0.00 C ATOM 1244 C MET A 80 13.165 30.557 7.141 1.00 0.00 C ATOM 1245 O MET A 80 14.373 30.542 6.910 1.00 0.00 O ATOM 1246 CB MET A 80 12.786 32.822 6.079 1.00 0.00 C ATOM 1247 CG MET A 80 11.780 33.696 5.330 1.00 0.00 C ATOM 1248 SD MET A 80 12.402 35.328 4.862 1.00 0.00 S ATOM 1249 CE MET A 80 13.400 34.853 3.428 1.00 0.00 C ATOM 0 H MET A 80 10.172 31.207 6.095 1.00 0.00 H new ATOM 0 HA MET A 80 12.193 30.911 5.300 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.009 33.265 7.049 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.723 32.781 5.524 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.462 33.171 4.429 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.895 33.824 5.953 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.811 35.747 2.958 1.00 0.00 H new ATOM 0 HE2 MET A 80 14.215 34.206 3.751 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.776 34.320 2.711 1.00 0.00 H new ATOM 1259 N GLN A 81 12.612 29.855 8.136 1.00 0.00 N ATOM 1260 CA GLN A 81 13.359 29.130 9.151 1.00 0.00 C ATOM 1261 C GLN A 81 14.347 30.043 9.895 1.00 0.00 C ATOM 1262 O GLN A 81 15.230 29.575 10.609 1.00 0.00 O ATOM 1263 CB GLN A 81 13.964 27.862 8.528 1.00 0.00 C ATOM 1264 CG GLN A 81 14.762 26.985 9.495 1.00 0.00 C ATOM 1265 CD GLN A 81 13.963 26.570 10.724 1.00 0.00 C ATOM 1266 OE1 GLN A 81 12.736 26.569 10.715 1.00 0.00 O ATOM 1267 NE2 GLN A 81 14.653 26.211 11.799 1.00 0.00 N ATOM 0 H GLN A 81 11.602 29.778 8.254 1.00 0.00 H new ATOM 0 HA GLN A 81 12.692 28.788 9.942 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.158 27.265 8.100 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.615 28.155 7.705 1.00 0.00 H new ATOM 0 HG2 GLN A 81 15.101 26.092 8.971 1.00 0.00 H new ATOM 0 HG3 GLN A 81 15.654 27.525 9.814 1.00 0.00 H new ATOM 0 HE21 GLN A 81 15.673 26.222 11.777 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.164 25.924 12.647 1.00 0.00 H new ATOM 1276 N SER A 82 14.204 31.362 9.727 1.00 0.00 N ATOM 1277 CA SER A 82 15.128 32.327 10.310 1.00 0.00 C ATOM 1278 C SER A 82 14.529 33.730 10.452 1.00 0.00 C ATOM 1279 O SER A 82 15.230 34.644 10.885 1.00 0.00 O ATOM 1280 CB SER A 82 16.370 32.400 9.420 1.00 0.00 C ATOM 1281 OG SER A 82 16.011 32.925 8.160 1.00 0.00 O ATOM 0 H SER A 82 13.449 31.783 9.186 1.00 0.00 H new ATOM 0 HA SER A 82 15.369 31.986 11.317 1.00 0.00 H new ATOM 0 HB2 SER A 82 17.129 33.029 9.886 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.806 31.408 9.303 1.00 0.00 H new ATOM 0 HG SER A 82 16.735 32.764 7.520 1.00 0.00 H new ATOM 1287 N HIS A 83 13.251 33.930 10.098 1.00 0.00 N ATOM 1288 CA HIS A 83 12.623 35.248 10.150 1.00 0.00 C ATOM 1289 C HIS A 83 12.434 35.733 11.592 1.00 0.00 C ATOM 1290 O HIS A 83 11.920 36.826 11.818 1.00 0.00 O ATOM 1291 CB HIS A 83 11.299 35.206 9.385 1.00 0.00 C ATOM 1292 CG HIS A 83 10.840 36.548 8.870 1.00 0.00 C ATOM 1293 ND1 HIS A 83 10.666 37.703 9.610 1.00 0.00 N ATOM 1294 CD2 HIS A 83 10.488 36.826 7.579 1.00 0.00 C ATOM 1295 CE1 HIS A 83 10.222 38.662 8.779 1.00 0.00 C ATOM 1296 NE2 HIS A 83 10.110 38.153 7.538 1.00 0.00 N ATOM 0 H HIS A 83 12.633 33.187 9.771 1.00 0.00 H new ATOM 0 HA HIS A 83 13.283 35.972 9.672 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.400 34.521 8.543 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.528 34.797 10.038 1.00 0.00 H new ATOM 0 HD1 HIS A 83 10.843 37.809 10.609 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.503 36.137 6.747 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.992 39.679 9.062 1.00 0.00 H new ATOM 1305 N GLN A 84 12.843 34.927 12.573 1.00 0.00 N ATOM 1306 CA GLN A 84 12.799 35.310 13.975 1.00 0.00 C ATOM 1307 C GLN A 84 13.860 36.372 14.278 1.00 0.00 C ATOM 1308 O GLN A 84 13.815 37.009 15.329 1.00 0.00 O ATOM 1309 CB GLN A 84 13.012 34.070 14.847 1.00 0.00 C ATOM 1310 CG GLN A 84 11.909 33.039 14.605 1.00 0.00 C ATOM 1311 CD GLN A 84 12.077 31.799 15.479 1.00 0.00 C ATOM 1312 OE1 GLN A 84 13.016 31.699 16.264 1.00 0.00 O ATOM 1313 NE2 GLN A 84 11.166 30.838 15.347 1.00 0.00 N ATOM 0 H GLN A 84 13.214 33.990 12.412 1.00 0.00 H new ATOM 0 HA GLN A 84 11.823 35.740 14.198 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.984 33.628 14.627 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.023 34.357 15.898 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.939 33.494 14.805 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.913 32.745 13.555 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.397 30.951 14.686 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.236 29.988 15.907 1.00 0.00 H new ATOM 1322 N ASP A 85 14.811 36.561 13.358 1.00 0.00 N ATOM 1323 CA ASP A 85 15.862 37.565 13.453 1.00 0.00 C ATOM 1324 C ASP A 85 16.765 37.512 14.689 1.00 0.00 C ATOM 1325 O ASP A 85 17.539 38.441 14.933 1.00 0.00 O ATOM 1326 CB ASP A 85 15.332 38.966 13.117 1.00 0.00 C ATOM 1327 CG ASP A 85 15.011 39.140 11.632 1.00 0.00 C ATOM 1328 OD1 ASP A 85 14.606 40.265 11.268 1.00 0.00 O ATOM 1329 OD2 ASP A 85 15.168 38.163 10.866 1.00 0.00 O ATOM 0 H ASP A 85 14.868 36.003 12.506 1.00 0.00 H new ATOM 0 HA ASP A 85 16.572 37.284 12.675 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.433 39.159 13.703 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.072 39.710 13.413 1.00 0.00 H new ATOM 1334 N LYS A 86 16.673 36.433 15.471 1.00 0.00 N ATOM 1335 CA LYS A 86 17.499 36.239 16.659 1.00 0.00 C ATOM 1336 C LYS A 86 18.936 35.881 16.277 1.00 0.00 C ATOM 1337 O LYS A 86 19.127 35.313 15.176 1.00 0.00 O ATOM 1338 CB LYS A 86 16.872 35.166 17.554 1.00 0.00 C ATOM 1339 CG LYS A 86 16.724 33.823 16.829 1.00 0.00 C ATOM 1340 CD LYS A 86 16.172 32.746 17.763 1.00 0.00 C ATOM 1341 CE LYS A 86 14.816 33.167 18.328 1.00 0.00 C ATOM 1342 NZ LYS A 86 14.224 32.091 19.145 1.00 0.00 N ATOM 0 H LYS A 86 16.021 35.669 15.295 1.00 0.00 H new ATOM 0 HA LYS A 86 17.541 37.174 17.218 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.488 35.031 18.443 1.00 0.00 H new ATOM 0 HB3 LYS A 86 15.893 35.504 17.893 1.00 0.00 H new ATOM 0 HG2 LYS A 86 16.059 33.941 15.973 1.00 0.00 H new ATOM 0 HG3 LYS A 86 17.692 33.509 16.440 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.070 31.805 17.222 1.00 0.00 H new ATOM 0 HD3 LYS A 86 16.873 32.570 18.579 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.934 34.065 18.934 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.141 33.421 17.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.686 32.508 19.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.588 31.518 18.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.981 31.488 19.526 1.00 0.00 H new TER 1356 LYS A 86