USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 728 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 36 ASN : amide:sc= -4.22! C(o=-5.7!,f=-7!) USER MOD Set 1.2: A 55 ASN : amide:sc= -1.44 K(o=-5.7,f=-19!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -105:sc= 1.16 (180deg=-0.342) USER MOD Single : A 2 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 3 MET CE :methyl -166:sc= -2.88! (180deg=-3.29!) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.00842 USER MOD Single : A 7 SER OG : rot -131:sc= 0.763 USER MOD Single : A 8 LYS NZ :NH3+ 141:sc= 1.12 (180deg=-0.522) USER MOD Single : A 9 GLN : amide:sc= -3.21! K(o=-3.2!,f=-0.83) USER MOD Single : A 10 MET CE :methyl -154:sc= -7.84! (180deg=-9.94!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.979 USER MOD Single : A 18 GLN : amide:sc= -2.95 K(o=-2.9,f=-5.9!) USER MOD Single : A 19 HIS : no HD1:sc= -5.5! C(o=-5.5!,f=-6.3!) USER MOD Single : A 26 LYS NZ :NH3+ -158:sc= -0.0453 (180deg=-0.321) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0662 K(o=-0.066,f=-2.3!) USER MOD Single : A 32 THR OG1 : rot -140:sc= -0.0223 USER MOD Single : A 33 HIS : no HD1:sc= -2.85! K(o=-2.8!,f=-1) USER MOD Single : A 38 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-0.53) USER MOD Single : A 42 SER OG : rot 155:sc= -2.46 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 56 THR OG1 : rot -170:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0411 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= -1 (180deg=-1) USER MOD Single : A 67 HIS : no HE2:sc= -2.48! C(o=-2.5!,f=-6!) USER MOD Single : A 70 MET CE :methyl 166:sc=-0.00403 (180deg=-0.224) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -140:sc= -3.51! USER MOD Single : A 75 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.31) USER MOD Single : A 79 ASN : amide:sc= -1.25 K(o=-1.2,f=-3.5!) USER MOD Single : A 80 LYS NZ :NH3+ -147:sc= -0.362 (180deg=-1.31!) USER MOD Single : A 84 GLN : amide:sc= 0.928 K(o=0.93,f=-0.49) USER MOD Single : A 86 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 185.833 1.566 -6.705 1.00 0.00 N ATOM 2 CA MET A 1 186.162 1.075 -8.070 1.00 0.00 C ATOM 3 C MET A 1 185.010 0.263 -8.654 1.00 0.00 C ATOM 4 O MET A 1 184.291 0.733 -9.538 1.00 0.00 O ATOM 5 CB MET A 1 187.428 0.220 -7.989 1.00 0.00 C ATOM 6 CG MET A 1 188.593 0.780 -8.791 1.00 0.00 C ATOM 7 SD MET A 1 190.166 0.015 -8.357 1.00 0.00 S ATOM 8 CE MET A 1 191.198 0.574 -9.710 1.00 0.00 C ATOM 0 H1 MET A 1 185.616 2.582 -6.745 1.00 0.00 H new ATOM 0 H2 MET A 1 185.008 1.049 -6.340 1.00 0.00 H new ATOM 0 H3 MET A 1 186.645 1.410 -6.075 1.00 0.00 H new ATOM 0 HA MET A 1 186.329 1.928 -8.728 1.00 0.00 H new ATOM 0 HB2 MET A 1 187.728 0.127 -6.945 1.00 0.00 H new ATOM 0 HB3 MET A 1 187.201 -0.785 -8.346 1.00 0.00 H new ATOM 0 HG2 MET A 1 188.402 0.631 -9.854 1.00 0.00 H new ATOM 0 HG3 MET A 1 188.659 1.855 -8.626 1.00 0.00 H new ATOM 0 HE1 MET A 1 192.207 0.182 -9.584 1.00 0.00 H new ATOM 0 HE2 MET A 1 190.785 0.217 -10.654 1.00 0.00 H new ATOM 0 HE3 MET A 1 191.230 1.663 -9.717 1.00 0.00 H new ATOM 20 N THR A 2 184.840 -0.958 -8.157 1.00 0.00 N ATOM 21 CA THR A 2 183.774 -1.834 -8.631 1.00 0.00 C ATOM 22 C THR A 2 182.475 -1.561 -7.876 1.00 0.00 C ATOM 23 O THR A 2 182.326 -0.521 -7.236 1.00 0.00 O ATOM 24 CB THR A 2 184.183 -3.302 -8.470 1.00 0.00 C ATOM 25 OG1 THR A 2 185.515 -3.405 -7.996 1.00 0.00 O ATOM 26 CG2 THR A 2 184.094 -4.092 -9.758 1.00 0.00 C ATOM 0 H THR A 2 185.426 -1.363 -7.427 1.00 0.00 H new ATOM 0 HA THR A 2 183.606 -1.630 -9.688 1.00 0.00 H new ATOM 0 HB THR A 2 183.476 -3.721 -7.754 1.00 0.00 H new ATOM 0 HG1 THR A 2 185.525 -3.294 -7.022 1.00 0.00 H new ATOM 0 HG21 THR A 2 184.397 -5.123 -9.574 1.00 0.00 H new ATOM 0 HG22 THR A 2 183.068 -4.075 -10.125 1.00 0.00 H new ATOM 0 HG23 THR A 2 184.753 -3.647 -10.504 1.00 0.00 H new ATOM 34 N MET A 3 181.538 -2.503 -7.952 1.00 0.00 N ATOM 35 CA MET A 3 180.257 -2.362 -7.272 1.00 0.00 C ATOM 36 C MET A 3 179.649 -3.731 -6.980 1.00 0.00 C ATOM 37 O MET A 3 178.892 -4.271 -7.787 1.00 0.00 O ATOM 38 CB MET A 3 179.291 -1.524 -8.117 1.00 0.00 C ATOM 39 CG MET A 3 177.866 -1.483 -7.574 1.00 0.00 C ATOM 40 SD MET A 3 177.799 -1.212 -5.790 1.00 0.00 S ATOM 41 CE MET A 3 176.839 0.296 -5.710 1.00 0.00 C ATOM 0 H MET A 3 181.643 -3.371 -8.478 1.00 0.00 H new ATOM 0 HA MET A 3 180.428 -1.850 -6.325 1.00 0.00 H new ATOM 0 HB2 MET A 3 179.673 -0.505 -8.183 1.00 0.00 H new ATOM 0 HB3 MET A 3 179.271 -1.924 -9.131 1.00 0.00 H new ATOM 0 HG2 MET A 3 177.314 -0.690 -8.078 1.00 0.00 H new ATOM 0 HG3 MET A 3 177.365 -2.421 -7.813 1.00 0.00 H new ATOM 0 HE1 MET A 3 176.919 0.726 -4.712 1.00 0.00 H new ATOM 0 HE2 MET A 3 177.218 1.008 -6.443 1.00 0.00 H new ATOM 0 HE3 MET A 3 175.794 0.074 -5.927 1.00 0.00 H new ATOM 51 N ASN A 4 179.989 -4.289 -5.823 1.00 0.00 N ATOM 52 CA ASN A 4 179.480 -5.596 -5.426 1.00 0.00 C ATOM 53 C ASN A 4 178.372 -5.465 -4.386 1.00 0.00 C ATOM 54 O ASN A 4 178.467 -4.657 -3.462 1.00 0.00 O ATOM 55 CB ASN A 4 180.614 -6.459 -4.872 1.00 0.00 C ATOM 56 CG ASN A 4 181.443 -7.098 -5.970 1.00 0.00 C ATOM 57 OD1 ASN A 4 180.953 -7.938 -6.724 1.00 0.00 O ATOM 58 ND2 ASN A 4 182.705 -6.700 -6.063 1.00 0.00 N ATOM 0 H ASN A 4 180.615 -3.856 -5.144 1.00 0.00 H new ATOM 0 HA ASN A 4 179.062 -6.075 -6.311 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.260 -5.846 -4.243 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.196 -7.239 -4.235 1.00 0.00 H new ATOM 0 HD21 ASN A 4 183.312 -7.093 -6.782 1.00 0.00 H new ATOM 0 HD22 ASN A 4 183.068 -6.001 -5.416 1.00 0.00 H new ATOM 65 N ILE A 5 177.326 -6.271 -4.539 1.00 0.00 N ATOM 66 CA ILE A 5 176.202 -6.253 -3.611 1.00 0.00 C ATOM 67 C ILE A 5 175.843 -7.671 -3.171 1.00 0.00 C ATOM 68 O ILE A 5 176.106 -8.639 -3.885 1.00 0.00 O ATOM 69 CB ILE A 5 174.962 -5.580 -4.243 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.260 -4.111 -4.550 1.00 0.00 C ATOM 71 CG2 ILE A 5 173.754 -5.699 -3.324 1.00 0.00 C ATOM 72 CD1 ILE A 5 174.403 -3.539 -5.657 1.00 0.00 C ATOM 0 H ILE A 5 177.234 -6.946 -5.298 1.00 0.00 H new ATOM 0 HA ILE A 5 176.508 -5.672 -2.741 1.00 0.00 H new ATOM 0 HB ILE A 5 174.728 -6.093 -5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 5 175.111 -3.522 -3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 5 176.310 -4.012 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 5 172.894 -5.218 -3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.531 -6.752 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 5 173.971 -5.212 -2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 5 174.669 -2.495 -5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 5 174.569 -4.104 -6.574 1.00 0.00 H new ATOM 0 HD13 ILE A 5 173.352 -3.606 -5.375 1.00 0.00 H new ATOM 84 N THR A 6 175.244 -7.785 -1.989 1.00 0.00 N ATOM 85 CA THR A 6 174.853 -9.084 -1.453 1.00 0.00 C ATOM 86 C THR A 6 173.884 -8.924 -0.285 1.00 0.00 C ATOM 87 O THR A 6 174.249 -9.140 0.871 1.00 0.00 O ATOM 88 CB THR A 6 176.090 -9.863 -1.003 1.00 0.00 C ATOM 89 OG1 THR A 6 175.720 -11.101 -0.422 1.00 0.00 O ATOM 90 CG2 THR A 6 176.932 -9.114 0.007 1.00 0.00 C ATOM 0 H THR A 6 175.019 -6.994 -1.385 1.00 0.00 H new ATOM 0 HA THR A 6 174.348 -9.639 -2.244 1.00 0.00 H new ATOM 0 HB THR A 6 176.682 -10.013 -1.906 1.00 0.00 H new ATOM 0 HG1 THR A 6 176.525 -11.585 -0.142 1.00 0.00 H new ATOM 0 HG21 THR A 6 177.793 -9.722 0.285 1.00 0.00 H new ATOM 0 HG22 THR A 6 177.275 -8.176 -0.429 1.00 0.00 H new ATOM 0 HG23 THR A 6 176.335 -8.904 0.894 1.00 0.00 H new ATOM 98 N SER A 7 172.648 -8.545 -0.595 1.00 0.00 N ATOM 99 CA SER A 7 171.628 -8.357 0.431 1.00 0.00 C ATOM 100 C SER A 7 170.964 -9.674 0.790 1.00 0.00 C ATOM 101 O SER A 7 171.207 -10.698 0.152 1.00 0.00 O ATOM 102 CB SER A 7 170.557 -7.384 -0.049 1.00 0.00 C ATOM 103 OG SER A 7 170.988 -6.041 0.093 1.00 0.00 O ATOM 0 H SER A 7 172.329 -8.362 -1.546 1.00 0.00 H new ATOM 0 HA SER A 7 172.125 -7.953 1.313 1.00 0.00 H new ATOM 0 HB2 SER A 7 170.321 -7.585 -1.094 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.640 -7.537 0.520 1.00 0.00 H new ATOM 0 HG SER A 7 170.292 -5.520 0.546 1.00 0.00 H new ATOM 109 N LYS A 8 170.110 -9.639 1.807 1.00 0.00 N ATOM 110 CA LYS A 8 169.401 -10.832 2.230 1.00 0.00 C ATOM 111 C LYS A 8 168.006 -10.885 1.600 1.00 0.00 C ATOM 112 O LYS A 8 167.774 -10.325 0.530 1.00 0.00 O ATOM 113 CB LYS A 8 169.342 -10.909 3.766 1.00 0.00 C ATOM 114 CG LYS A 8 168.254 -10.069 4.423 1.00 0.00 C ATOM 115 CD LYS A 8 168.226 -10.315 5.926 1.00 0.00 C ATOM 116 CE LYS A 8 166.914 -9.871 6.549 1.00 0.00 C ATOM 117 NZ LYS A 8 167.039 -9.676 8.021 1.00 0.00 N ATOM 0 H LYS A 8 169.896 -8.801 2.348 1.00 0.00 H new ATOM 0 HA LYS A 8 169.948 -11.708 1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 8 169.197 -11.950 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 8 170.307 -10.599 4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 8 168.432 -9.012 4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 8 167.285 -10.315 3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 8 168.381 -11.376 6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 8 169.051 -9.780 6.397 1.00 0.00 H new ATOM 0 HE2 LYS A 8 166.588 -8.940 6.085 1.00 0.00 H new ATOM 0 HE3 LYS A 8 166.144 -10.615 6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 166.490 -8.841 8.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 166.675 -10.516 8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 168.039 -9.535 8.269 1.00 0.00 H new ATOM 131 N GLN A 9 167.095 -11.579 2.266 1.00 0.00 N ATOM 132 CA GLN A 9 165.721 -11.745 1.789 1.00 0.00 C ATOM 133 C GLN A 9 165.093 -10.423 1.337 1.00 0.00 C ATOM 134 O GLN A 9 164.131 -10.425 0.569 1.00 0.00 O ATOM 135 CB GLN A 9 164.876 -12.414 2.893 1.00 0.00 C ATOM 136 CG GLN A 9 163.621 -11.653 3.322 1.00 0.00 C ATOM 137 CD GLN A 9 163.742 -11.050 4.710 1.00 0.00 C ATOM 138 OE1 GLN A 9 163.131 -11.537 5.662 1.00 0.00 O ATOM 139 NE2 GLN A 9 164.530 -9.986 4.836 1.00 0.00 N ATOM 0 H GLN A 9 167.283 -12.045 3.154 1.00 0.00 H new ATOM 0 HA GLN A 9 165.744 -12.386 0.908 1.00 0.00 H new ATOM 0 HB2 GLN A 9 164.578 -13.404 2.547 1.00 0.00 H new ATOM 0 HB3 GLN A 9 165.507 -12.560 3.770 1.00 0.00 H new ATOM 0 HG2 GLN A 9 163.420 -10.859 2.603 1.00 0.00 H new ATOM 0 HG3 GLN A 9 162.766 -12.329 3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 9 165.018 -9.614 4.022 1.00 0.00 H new ATOM 0 HE22 GLN A 9 164.646 -9.542 5.747 1.00 0.00 H new ATOM 148 N MET A 10 165.611 -9.303 1.826 1.00 0.00 N ATOM 149 CA MET A 10 165.062 -7.997 1.471 1.00 0.00 C ATOM 150 C MET A 10 165.034 -7.779 -0.039 1.00 0.00 C ATOM 151 O MET A 10 164.218 -7.013 -0.550 1.00 0.00 O ATOM 152 CB MET A 10 165.849 -6.882 2.170 1.00 0.00 C ATOM 153 CG MET A 10 167.198 -6.564 1.532 1.00 0.00 C ATOM 154 SD MET A 10 167.102 -5.485 0.083 1.00 0.00 S ATOM 155 CE MET A 10 165.603 -4.549 0.391 1.00 0.00 C ATOM 0 H MET A 10 166.405 -9.270 2.465 1.00 0.00 H new ATOM 0 HA MET A 10 164.028 -7.968 1.816 1.00 0.00 H new ATOM 0 HB2 MET A 10 165.242 -5.976 2.178 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.011 -7.166 3.210 1.00 0.00 H new ATOM 0 HG2 MET A 10 167.838 -6.094 2.279 1.00 0.00 H new ATOM 0 HG3 MET A 10 167.679 -7.498 1.243 1.00 0.00 H new ATOM 0 HE1 MET A 10 165.181 -4.216 -0.557 1.00 0.00 H new ATOM 0 HE2 MET A 10 164.880 -5.180 0.908 1.00 0.00 H new ATOM 0 HE3 MET A 10 165.836 -3.682 1.009 1.00 0.00 H new ATOM 165 N GLU A 11 165.929 -8.453 -0.741 1.00 0.00 N ATOM 166 CA GLU A 11 166.022 -8.334 -2.198 1.00 0.00 C ATOM 167 C GLU A 11 166.286 -6.886 -2.602 1.00 0.00 C ATOM 168 O GLU A 11 165.516 -5.986 -2.271 1.00 0.00 O ATOM 169 CB GLU A 11 164.747 -8.833 -2.886 1.00 0.00 C ATOM 170 CG GLU A 11 163.889 -9.755 -2.031 1.00 0.00 C ATOM 171 CD GLU A 11 162.783 -10.422 -2.824 1.00 0.00 C ATOM 172 OE1 GLU A 11 162.412 -9.888 -3.891 1.00 0.00 O ATOM 173 OE2 GLU A 11 162.285 -11.476 -2.377 1.00 0.00 O ATOM 0 H GLU A 11 166.608 -9.093 -0.329 1.00 0.00 H new ATOM 0 HA GLU A 11 166.855 -8.958 -2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 11 164.148 -7.972 -3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 11 165.024 -9.359 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 11 164.521 -10.521 -1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 11 163.451 -9.183 -1.213 1.00 0.00 H new ATOM 180 N ILE A 12 167.378 -6.671 -3.320 1.00 0.00 N ATOM 181 CA ILE A 12 167.748 -5.330 -3.763 1.00 0.00 C ATOM 182 C ILE A 12 166.788 -4.810 -4.827 1.00 0.00 C ATOM 183 O ILE A 12 166.788 -5.282 -5.964 1.00 0.00 O ATOM 184 CB ILE A 12 169.185 -5.286 -4.322 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.114 -6.174 -3.490 1.00 0.00 C ATOM 186 CG2 ILE A 12 169.697 -3.854 -4.345 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.353 -7.539 -4.098 1.00 0.00 C ATOM 0 H ILE A 12 168.024 -7.405 -3.609 1.00 0.00 H new ATOM 0 HA ILE A 12 167.692 -4.691 -2.882 1.00 0.00 H new ATOM 0 HB ILE A 12 169.171 -5.668 -5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 12 171.072 -5.668 -3.366 1.00 0.00 H new ATOM 0 HG13 ILE A 12 169.688 -6.299 -2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 12 170.712 -3.837 -4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.050 -3.246 -4.978 1.00 0.00 H new ATOM 0 HG23 ILE A 12 169.696 -3.451 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 12 171.020 -8.112 -3.454 1.00 0.00 H new ATOM 0 HD12 ILE A 12 169.403 -8.065 -4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 12 170.808 -7.424 -5.082 1.00 0.00 H new ATOM 199 N THR A 13 165.978 -3.827 -4.450 1.00 0.00 N ATOM 200 CA THR A 13 165.019 -3.230 -5.370 1.00 0.00 C ATOM 201 C THR A 13 165.686 -2.140 -6.203 1.00 0.00 C ATOM 202 O THR A 13 166.691 -1.562 -5.786 1.00 0.00 O ATOM 203 CB THR A 13 163.834 -2.645 -4.596 1.00 0.00 C ATOM 204 OG1 THR A 13 164.197 -1.429 -3.969 1.00 0.00 O ATOM 205 CG2 THR A 13 163.298 -3.572 -3.528 1.00 0.00 C ATOM 0 H THR A 13 165.967 -3.427 -3.512 1.00 0.00 H new ATOM 0 HA THR A 13 164.654 -4.009 -6.040 1.00 0.00 H new ATOM 0 HB THR A 13 163.053 -2.488 -5.340 1.00 0.00 H new ATOM 0 HG1 THR A 13 163.427 -1.070 -3.481 1.00 0.00 H new ATOM 0 HG21 THR A 13 162.460 -3.095 -3.019 1.00 0.00 H new ATOM 0 HG22 THR A 13 162.962 -4.501 -3.988 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.085 -3.789 -2.806 1.00 0.00 H new ATOM 213 N PRO A 14 165.141 -1.841 -7.394 1.00 0.00 N ATOM 214 CA PRO A 14 165.693 -0.814 -8.277 1.00 0.00 C ATOM 215 C PRO A 14 165.922 0.508 -7.552 1.00 0.00 C ATOM 216 O PRO A 14 166.930 1.180 -7.768 1.00 0.00 O ATOM 217 CB PRO A 14 164.623 -0.651 -9.371 1.00 0.00 C ATOM 218 CG PRO A 14 163.426 -1.396 -8.880 1.00 0.00 C ATOM 219 CD PRO A 14 163.949 -2.470 -7.972 1.00 0.00 C ATOM 0 HA PRO A 14 166.670 -1.100 -8.667 1.00 0.00 H new ATOM 0 HB2 PRO A 14 164.389 0.401 -9.536 1.00 0.00 H new ATOM 0 HB3 PRO A 14 164.971 -1.053 -10.322 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.745 -0.732 -8.347 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.867 -1.826 -9.711 1.00 0.00 H new ATOM 0 HD2 PRO A 14 163.223 -2.744 -7.207 1.00 0.00 H new ATOM 0 HD3 PRO A 14 164.195 -3.380 -8.519 1.00 0.00 H new ATOM 227 N ALA A 15 164.980 0.872 -6.687 1.00 0.00 N ATOM 228 CA ALA A 15 165.078 2.112 -5.927 1.00 0.00 C ATOM 229 C ALA A 15 166.287 2.095 -4.995 1.00 0.00 C ATOM 230 O ALA A 15 166.971 3.106 -4.835 1.00 0.00 O ATOM 231 CB ALA A 15 163.803 2.345 -5.134 1.00 0.00 C ATOM 0 H ALA A 15 164.140 0.325 -6.495 1.00 0.00 H new ATOM 0 HA ALA A 15 165.210 2.931 -6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 15 163.889 3.274 -4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 15 162.957 2.412 -5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 15 163.647 1.516 -4.444 1.00 0.00 H new ATOM 237 N ILE A 16 166.543 0.945 -4.382 1.00 0.00 N ATOM 238 CA ILE A 16 167.668 0.804 -3.466 1.00 0.00 C ATOM 239 C ILE A 16 168.989 0.721 -4.225 1.00 0.00 C ATOM 240 O ILE A 16 169.887 1.538 -4.014 1.00 0.00 O ATOM 241 CB ILE A 16 167.516 -0.443 -2.569 1.00 0.00 C ATOM 242 CG1 ILE A 16 166.220 -0.358 -1.763 1.00 0.00 C ATOM 243 CG2 ILE A 16 168.713 -0.584 -1.638 1.00 0.00 C ATOM 244 CD1 ILE A 16 166.005 -1.531 -0.835 1.00 0.00 C ATOM 0 H ILE A 16 165.988 0.098 -4.503 1.00 0.00 H new ATOM 0 HA ILE A 16 167.673 1.692 -2.834 1.00 0.00 H new ATOM 0 HB ILE A 16 167.474 -1.326 -3.207 1.00 0.00 H new ATOM 0 HG12 ILE A 16 166.226 0.561 -1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 16 165.378 -0.291 -2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 16 168.587 -1.469 -1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 16 169.624 -0.684 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 16 168.787 0.299 -1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 16 165.066 -1.402 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 16 165.966 -2.452 -1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 16 166.828 -1.586 -0.122 1.00 0.00 H new ATOM 256 N ARG A 17 169.108 -0.270 -5.105 1.00 0.00 N ATOM 257 CA ARG A 17 170.324 -0.455 -5.890 1.00 0.00 C ATOM 258 C ARG A 17 170.791 0.866 -6.504 1.00 0.00 C ATOM 259 O ARG A 17 171.986 1.081 -6.702 1.00 0.00 O ATOM 260 CB ARG A 17 170.100 -1.511 -6.981 1.00 0.00 C ATOM 261 CG ARG A 17 169.450 -0.972 -8.248 1.00 0.00 C ATOM 262 CD ARG A 17 170.478 -0.737 -9.342 1.00 0.00 C ATOM 263 NE ARG A 17 169.888 -0.807 -10.676 1.00 0.00 N ATOM 264 CZ ARG A 17 170.591 -1.007 -11.789 1.00 0.00 C ATOM 265 NH1 ARG A 17 171.909 -1.156 -11.731 1.00 0.00 N ATOM 266 NH2 ARG A 17 169.976 -1.058 -12.962 1.00 0.00 N ATOM 0 H ARG A 17 168.377 -0.957 -5.292 1.00 0.00 H new ATOM 0 HA ARG A 17 171.109 -0.807 -5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 17 171.060 -1.958 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.476 -2.308 -6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 17 168.696 -1.676 -8.600 1.00 0.00 H new ATOM 0 HG3 ARG A 17 168.934 -0.038 -8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 17 170.939 0.241 -9.201 1.00 0.00 H new ATOM 0 HD3 ARG A 17 171.272 -1.479 -9.258 1.00 0.00 H new ATOM 0 HE ARG A 17 168.878 -0.696 -10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 17 172.387 -1.118 -10.831 1.00 0.00 H new ATOM 0 HH12 ARG A 17 172.443 -1.309 -12.586 1.00 0.00 H new ATOM 0 HH21 ARG A 17 168.964 -0.944 -13.012 1.00 0.00 H new ATOM 0 HH22 ARG A 17 170.515 -1.211 -13.814 1.00 0.00 H new ATOM 280 N GLN A 18 169.838 1.747 -6.796 1.00 0.00 N ATOM 281 CA GLN A 18 170.155 3.047 -7.380 1.00 0.00 C ATOM 282 C GLN A 18 170.703 3.999 -6.322 1.00 0.00 C ATOM 283 O GLN A 18 171.806 4.530 -6.463 1.00 0.00 O ATOM 284 CB GLN A 18 168.912 3.654 -8.038 1.00 0.00 C ATOM 285 CG GLN A 18 168.996 3.714 -9.555 1.00 0.00 C ATOM 286 CD GLN A 18 169.341 2.374 -10.174 1.00 0.00 C ATOM 287 OE1 GLN A 18 168.472 1.526 -10.371 1.00 0.00 O ATOM 288 NE2 GLN A 18 170.618 2.176 -10.483 1.00 0.00 N ATOM 0 H GLN A 18 168.843 1.585 -6.638 1.00 0.00 H new ATOM 0 HA GLN A 18 170.921 2.898 -8.141 1.00 0.00 H new ATOM 0 HB2 GLN A 18 168.038 3.069 -7.753 1.00 0.00 H new ATOM 0 HB3 GLN A 18 168.761 4.661 -7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 18 168.043 4.060 -9.954 1.00 0.00 H new ATOM 0 HG3 GLN A 18 169.748 4.448 -9.845 1.00 0.00 H new ATOM 0 HE21 GLN A 18 171.306 2.907 -10.302 1.00 0.00 H new ATOM 0 HE22 GLN A 18 170.911 1.293 -10.901 1.00 0.00 H new ATOM 297 N HIS A 19 169.929 4.212 -5.259 1.00 0.00 N ATOM 298 CA HIS A 19 170.338 5.099 -4.173 1.00 0.00 C ATOM 299 C HIS A 19 171.751 4.765 -3.705 1.00 0.00 C ATOM 300 O HIS A 19 172.581 5.654 -3.511 1.00 0.00 O ATOM 301 CB HIS A 19 169.360 4.995 -3.001 1.00 0.00 C ATOM 302 CG HIS A 19 168.981 6.319 -2.413 1.00 0.00 C ATOM 303 ND1 HIS A 19 168.195 7.238 -3.076 1.00 0.00 N ATOM 304 CD2 HIS A 19 169.281 6.877 -1.217 1.00 0.00 C ATOM 305 CE1 HIS A 19 168.029 8.304 -2.314 1.00 0.00 C ATOM 306 NE2 HIS A 19 168.676 8.109 -1.180 1.00 0.00 N ATOM 0 H HIS A 19 169.014 3.781 -5.127 1.00 0.00 H new ATOM 0 HA HIS A 19 170.330 6.122 -4.550 1.00 0.00 H new ATOM 0 HB2 HIS A 19 168.457 4.485 -3.337 1.00 0.00 H new ATOM 0 HB3 HIS A 19 169.805 4.376 -2.222 1.00 0.00 H new ATOM 0 HD2 HIS A 19 169.884 6.436 -0.437 1.00 0.00 H new ATOM 0 HE1 HIS A 19 167.461 9.185 -2.574 1.00 0.00 H new ATOM 0 HE2 HIS A 19 168.719 8.767 -0.402 1.00 0.00 H new ATOM 315 N VAL A 20 172.017 3.475 -3.533 1.00 0.00 N ATOM 316 CA VAL A 20 173.329 3.020 -3.097 1.00 0.00 C ATOM 317 C VAL A 20 174.367 3.222 -4.195 1.00 0.00 C ATOM 318 O VAL A 20 175.486 3.662 -3.933 1.00 0.00 O ATOM 319 CB VAL A 20 173.301 1.534 -2.689 1.00 0.00 C ATOM 320 CG1 VAL A 20 173.027 0.649 -3.897 1.00 0.00 C ATOM 321 CG2 VAL A 20 174.608 1.141 -2.016 1.00 0.00 C ATOM 0 H VAL A 20 171.341 2.727 -3.689 1.00 0.00 H new ATOM 0 HA VAL A 20 173.604 3.617 -2.228 1.00 0.00 H new ATOM 0 HB VAL A 20 172.491 1.389 -1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 20 173.012 -0.396 -3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 20 172.062 0.913 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 20 173.811 0.795 -4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 20 174.570 0.089 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 20 175.436 1.303 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 20 174.755 1.750 -1.124 1.00 0.00 H new ATOM 331 N ALA A 21 173.982 2.899 -5.426 1.00 0.00 N ATOM 332 CA ALA A 21 174.874 3.046 -6.572 1.00 0.00 C ATOM 333 C ALA A 21 175.421 4.467 -6.662 1.00 0.00 C ATOM 334 O ALA A 21 176.629 4.669 -6.780 1.00 0.00 O ATOM 335 CB ALA A 21 174.150 2.677 -7.857 1.00 0.00 C ATOM 0 H ALA A 21 173.058 2.534 -5.656 1.00 0.00 H new ATOM 0 HA ALA A 21 175.715 2.367 -6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 21 174.828 2.792 -8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 21 173.813 1.642 -7.800 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.289 3.332 -7.991 1.00 0.00 H new ATOM 341 N ASP A 22 174.525 5.445 -6.602 1.00 0.00 N ATOM 342 CA ASP A 22 174.920 6.848 -6.671 1.00 0.00 C ATOM 343 C ASP A 22 175.858 7.195 -5.520 1.00 0.00 C ATOM 344 O ASP A 22 176.868 7.872 -5.710 1.00 0.00 O ATOM 345 CB ASP A 22 173.684 7.750 -6.635 1.00 0.00 C ATOM 346 CG ASP A 22 173.475 8.497 -7.937 1.00 0.00 C ATOM 347 OD1 ASP A 22 172.935 7.895 -8.888 1.00 0.00 O ATOM 348 OD2 ASP A 22 173.852 9.687 -8.006 1.00 0.00 O ATOM 0 H ASP A 22 173.521 5.293 -6.506 1.00 0.00 H new ATOM 0 HA ASP A 22 175.447 7.013 -7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 22 172.803 7.145 -6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 22 173.785 8.467 -5.820 1.00 0.00 H new ATOM 353 N ARG A 23 175.517 6.721 -4.326 1.00 0.00 N ATOM 354 CA ARG A 23 176.328 6.971 -3.142 1.00 0.00 C ATOM 355 C ARG A 23 177.742 6.426 -3.331 1.00 0.00 C ATOM 356 O ARG A 23 178.711 6.994 -2.829 1.00 0.00 O ATOM 357 CB ARG A 23 175.672 6.334 -1.912 1.00 0.00 C ATOM 358 CG ARG A 23 176.523 6.387 -0.651 1.00 0.00 C ATOM 359 CD ARG A 23 176.080 5.346 0.367 1.00 0.00 C ATOM 360 NE ARG A 23 177.199 4.538 0.847 1.00 0.00 N ATOM 361 CZ ARG A 23 177.818 3.619 0.109 1.00 0.00 C ATOM 362 NH1 ARG A 23 177.435 3.393 -1.141 1.00 0.00 N ATOM 363 NH2 ARG A 23 178.822 2.922 0.622 1.00 0.00 N ATOM 0 H ARG A 23 174.682 6.160 -4.154 1.00 0.00 H new ATOM 0 HA ARG A 23 176.395 8.048 -2.989 1.00 0.00 H new ATOM 0 HB2 ARG A 23 174.725 6.837 -1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 23 175.440 5.293 -2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 23 177.569 6.222 -0.910 1.00 0.00 H new ATOM 0 HG3 ARG A 23 176.457 7.381 -0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 23 175.604 5.845 1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 23 175.330 4.695 -0.083 1.00 0.00 H new ATOM 0 HE ARG A 23 177.524 4.687 1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 23 176.662 3.925 -1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 23 177.913 2.688 -1.701 1.00 0.00 H new ATOM 0 HH21 ARG A 23 179.121 3.090 1.583 1.00 0.00 H new ATOM 0 HH22 ARG A 23 179.296 2.218 0.056 1.00 0.00 H new ATOM 377 N LEU A 24 177.848 5.319 -4.059 1.00 0.00 N ATOM 378 CA LEU A 24 179.140 4.693 -4.319 1.00 0.00 C ATOM 379 C LEU A 24 179.983 5.554 -5.255 1.00 0.00 C ATOM 380 O LEU A 24 181.124 5.893 -4.943 1.00 0.00 O ATOM 381 CB LEU A 24 178.941 3.301 -4.922 1.00 0.00 C ATOM 382 CG LEU A 24 180.222 2.605 -5.389 1.00 0.00 C ATOM 383 CD1 LEU A 24 180.081 1.095 -5.271 1.00 0.00 C ATOM 384 CD2 LEU A 24 180.549 3.002 -6.820 1.00 0.00 C ATOM 0 H LEU A 24 177.054 4.836 -4.480 1.00 0.00 H new ATOM 0 HA LEU A 24 179.669 4.598 -3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 24 178.452 2.668 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.261 3.383 -5.770 1.00 0.00 H new ATOM 0 HG LEU A 24 181.043 2.923 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 24 181.001 0.616 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 24 179.892 0.827 -4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 24 179.249 0.758 -5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 24 181.462 2.499 -7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 24 179.728 2.711 -7.475 1.00 0.00 H new ATOM 0 HD23 LEU A 24 180.691 4.081 -6.875 1.00 0.00 H new ATOM 396 N ALA A 25 179.413 5.902 -6.404 1.00 0.00 N ATOM 397 CA ALA A 25 180.112 6.722 -7.389 1.00 0.00 C ATOM 398 C ALA A 25 180.570 8.044 -6.781 1.00 0.00 C ATOM 399 O ALA A 25 181.684 8.503 -7.037 1.00 0.00 O ATOM 400 CB ALA A 25 179.219 6.973 -8.593 1.00 0.00 C ATOM 0 H ALA A 25 178.469 5.629 -6.677 1.00 0.00 H new ATOM 0 HA ALA A 25 180.999 6.178 -7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 25 179.752 7.586 -9.320 1.00 0.00 H new ATOM 0 HB2 ALA A 25 178.948 6.021 -9.050 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.315 7.492 -8.274 1.00 0.00 H new ATOM 406 N LYS A 26 179.705 8.651 -5.977 1.00 0.00 N ATOM 407 CA LYS A 26 180.021 9.920 -5.333 1.00 0.00 C ATOM 408 C LYS A 26 181.160 9.753 -4.333 1.00 0.00 C ATOM 409 O LYS A 26 182.053 10.596 -4.248 1.00 0.00 O ATOM 410 CB LYS A 26 178.784 10.481 -4.628 1.00 0.00 C ATOM 411 CG LYS A 26 177.550 10.528 -5.514 1.00 0.00 C ATOM 412 CD LYS A 26 177.308 11.927 -6.064 1.00 0.00 C ATOM 413 CE LYS A 26 176.506 11.886 -7.355 1.00 0.00 C ATOM 414 NZ LYS A 26 177.290 11.302 -8.480 1.00 0.00 N ATOM 0 H LYS A 26 178.779 8.285 -5.756 1.00 0.00 H new ATOM 0 HA LYS A 26 180.339 10.621 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 26 178.568 9.872 -3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 26 179.004 11.487 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 26 177.668 9.827 -6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 26 176.679 10.205 -4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 26 176.776 12.524 -5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 26 178.264 12.419 -6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 26 175.600 11.299 -7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 26 176.191 12.896 -7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 176.887 11.618 -9.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 178.279 11.616 -8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 177.252 10.264 -8.428 1.00 0.00 H new ATOM 428 N LEU A 27 181.125 8.658 -3.578 1.00 0.00 N ATOM 429 CA LEU A 27 182.157 8.381 -2.585 1.00 0.00 C ATOM 430 C LEU A 27 183.493 8.054 -3.253 1.00 0.00 C ATOM 431 O LEU A 27 184.533 8.025 -2.596 1.00 0.00 O ATOM 432 CB LEU A 27 181.727 7.222 -1.681 1.00 0.00 C ATOM 433 CG LEU A 27 182.059 7.400 -0.199 1.00 0.00 C ATOM 434 CD1 LEU A 27 181.228 6.450 0.650 1.00 0.00 C ATOM 435 CD2 LEU A 27 183.545 7.181 0.044 1.00 0.00 C ATOM 0 H LEU A 27 180.394 7.949 -3.635 1.00 0.00 H new ATOM 0 HA LEU A 27 182.289 9.278 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 27 180.651 7.082 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 27 182.202 6.308 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 27 181.813 8.421 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 27 181.477 6.590 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 27 180.169 6.657 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 27 181.442 5.421 0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 27 183.763 7.312 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 27 183.819 6.171 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 27 184.119 7.903 -0.536 1.00 0.00 H new ATOM 447 N GLU A 28 183.464 7.809 -4.559 1.00 0.00 N ATOM 448 CA GLU A 28 184.676 7.489 -5.302 1.00 0.00 C ATOM 449 C GLU A 28 185.648 8.669 -5.308 1.00 0.00 C ATOM 450 O GLU A 28 186.828 8.508 -5.618 1.00 0.00 O ATOM 451 CB GLU A 28 184.330 7.094 -6.737 1.00 0.00 C ATOM 452 CG GLU A 28 185.462 6.382 -7.462 1.00 0.00 C ATOM 453 CD GLU A 28 184.964 5.284 -8.382 1.00 0.00 C ATOM 454 OE1 GLU A 28 184.103 5.571 -9.239 1.00 0.00 O ATOM 455 OE2 GLU A 28 185.436 4.136 -8.242 1.00 0.00 O ATOM 0 H GLU A 28 182.615 7.826 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 28 185.160 6.648 -4.805 1.00 0.00 H new ATOM 0 HB2 GLU A 28 183.453 6.447 -6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 28 184.058 7.989 -7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 28 186.030 7.108 -8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 28 186.146 5.955 -6.729 1.00 0.00 H new ATOM 462 N LYS A 29 185.147 9.854 -4.967 1.00 0.00 N ATOM 463 CA LYS A 29 185.978 11.052 -4.940 1.00 0.00 C ATOM 464 C LYS A 29 186.414 11.390 -3.515 1.00 0.00 C ATOM 465 O LYS A 29 186.670 12.551 -3.197 1.00 0.00 O ATOM 466 CB LYS A 29 185.221 12.235 -5.547 1.00 0.00 C ATOM 467 CG LYS A 29 186.071 13.086 -6.478 1.00 0.00 C ATOM 468 CD LYS A 29 186.467 12.319 -7.731 1.00 0.00 C ATOM 469 CE LYS A 29 186.170 13.115 -8.993 1.00 0.00 C ATOM 470 NZ LYS A 29 185.588 12.262 -10.065 1.00 0.00 N ATOM 0 H LYS A 29 184.173 10.009 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 29 186.871 10.854 -5.533 1.00 0.00 H new ATOM 0 HB2 LYS A 29 184.358 11.860 -6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 29 184.838 12.863 -4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 29 185.518 13.983 -6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 29 186.968 13.416 -5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 29 187.530 12.081 -7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 29 185.930 11.371 -7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 29 185.478 13.924 -8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 29 187.089 13.577 -9.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 185.400 12.843 -10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 186.258 11.505 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 184.698 11.842 -9.729 1.00 0.00 H new ATOM 484 N TRP A 30 186.501 10.370 -2.666 1.00 0.00 N ATOM 485 CA TRP A 30 186.912 10.568 -1.280 1.00 0.00 C ATOM 486 C TRP A 30 188.377 10.187 -1.085 1.00 0.00 C ATOM 487 O TRP A 30 188.803 9.864 0.023 1.00 0.00 O ATOM 488 CB TRP A 30 186.029 9.739 -0.340 1.00 0.00 C ATOM 489 CG TRP A 30 185.119 10.571 0.510 1.00 0.00 C ATOM 490 CD1 TRP A 30 183.835 10.937 0.221 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.422 11.140 1.788 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.323 11.698 1.243 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.277 11.837 2.217 1.00 0.00 C ATOM 494 CE3 TRP A 30 186.550 11.127 2.614 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.228 12.515 3.431 1.00 0.00 C ATOM 496 CZ3 TRP A 30 186.501 11.800 3.819 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.347 12.485 4.219 1.00 0.00 C ATOM 0 H TRP A 30 186.293 9.402 -2.912 1.00 0.00 H new ATOM 0 HA TRP A 30 186.795 11.625 -1.041 1.00 0.00 H new ATOM 0 HB2 TRP A 30 185.429 9.048 -0.932 1.00 0.00 H new ATOM 0 HB3 TRP A 30 186.666 9.135 0.306 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.301 10.668 -0.678 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.384 12.096 1.272 1.00 0.00 H new ATOM 0 HE3 TRP A 30 187.444 10.600 2.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.340 13.046 3.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.367 11.798 4.464 1.00 0.00 H new ATOM 0 HH2 TRP A 30 185.340 13.000 5.168 1.00 0.00 H new ATOM 508 N GLN A 31 189.146 10.215 -2.170 1.00 0.00 N ATOM 509 CA GLN A 31 190.563 9.870 -2.117 1.00 0.00 C ATOM 510 C GLN A 31 190.783 8.412 -1.702 1.00 0.00 C ATOM 511 O GLN A 31 191.922 7.951 -1.621 1.00 0.00 O ATOM 512 CB GLN A 31 191.299 10.797 -1.148 1.00 0.00 C ATOM 513 CG GLN A 31 192.715 11.134 -1.588 1.00 0.00 C ATOM 514 CD GLN A 31 192.752 12.187 -2.677 1.00 0.00 C ATOM 515 OE1 GLN A 31 191.808 12.323 -3.458 1.00 0.00 O ATOM 516 NE2 GLN A 31 193.845 12.938 -2.736 1.00 0.00 N ATOM 0 H GLN A 31 188.811 10.474 -3.098 1.00 0.00 H new ATOM 0 HA GLN A 31 190.964 9.997 -3.123 1.00 0.00 H new ATOM 0 HB2 GLN A 31 190.731 11.721 -1.040 1.00 0.00 H new ATOM 0 HB3 GLN A 31 191.335 10.328 -0.165 1.00 0.00 H new ATOM 0 HG2 GLN A 31 193.285 11.486 -0.728 1.00 0.00 H new ATOM 0 HG3 GLN A 31 193.205 10.229 -1.946 1.00 0.00 H new ATOM 0 HE21 GLN A 31 194.602 12.790 -2.069 1.00 0.00 H new ATOM 0 HE22 GLN A 31 193.928 13.663 -3.449 1.00 0.00 H new ATOM 525 N THR A 32 189.697 7.687 -1.437 1.00 0.00 N ATOM 526 CA THR A 32 189.795 6.291 -1.033 1.00 0.00 C ATOM 527 C THR A 32 190.131 5.405 -2.230 1.00 0.00 C ATOM 528 O THR A 32 189.962 5.809 -3.381 1.00 0.00 O ATOM 529 CB THR A 32 188.484 5.828 -0.392 1.00 0.00 C ATOM 530 OG1 THR A 32 187.379 6.163 -1.214 1.00 0.00 O ATOM 531 CG2 THR A 32 188.240 6.432 0.974 1.00 0.00 C ATOM 0 H THR A 32 188.743 8.045 -1.495 1.00 0.00 H new ATOM 0 HA THR A 32 190.597 6.205 -0.300 1.00 0.00 H new ATOM 0 HB THR A 32 188.581 4.748 -0.281 1.00 0.00 H new ATOM 0 HG1 THR A 32 186.635 6.469 -0.654 1.00 0.00 H new ATOM 0 HG21 THR A 32 187.295 6.062 1.372 1.00 0.00 H new ATOM 0 HG22 THR A 32 189.051 6.151 1.646 1.00 0.00 H new ATOM 0 HG23 THR A 32 188.198 7.518 0.889 1.00 0.00 H new ATOM 539 N HIS A 33 190.610 4.199 -1.950 1.00 0.00 N ATOM 540 CA HIS A 33 190.972 3.255 -3.003 1.00 0.00 C ATOM 541 C HIS A 33 189.985 2.091 -3.075 1.00 0.00 C ATOM 542 O HIS A 33 190.192 1.149 -3.840 1.00 0.00 O ATOM 543 CB HIS A 33 192.389 2.726 -2.780 1.00 0.00 C ATOM 544 CG HIS A 33 193.399 3.804 -2.540 1.00 0.00 C ATOM 545 ND1 HIS A 33 194.621 3.845 -3.177 1.00 0.00 N ATOM 546 CD2 HIS A 33 193.365 4.889 -1.729 1.00 0.00 C ATOM 547 CE1 HIS A 33 195.294 4.905 -2.769 1.00 0.00 C ATOM 548 NE2 HIS A 33 194.553 5.555 -1.891 1.00 0.00 N ATOM 0 H HIS A 33 190.757 3.851 -1.003 1.00 0.00 H new ATOM 0 HA HIS A 33 190.934 3.789 -3.952 1.00 0.00 H new ATOM 0 HB2 HIS A 33 192.385 2.047 -1.927 1.00 0.00 H new ATOM 0 HB3 HIS A 33 192.692 2.143 -3.650 1.00 0.00 H new ATOM 0 HD2 HIS A 33 192.554 5.176 -1.077 1.00 0.00 H new ATOM 0 HE1 HIS A 33 196.282 5.191 -3.098 1.00 0.00 H new ATOM 0 HE2 HIS A 33 194.821 6.414 -1.411 1.00 0.00 H new ATOM 557 N LEU A 34 188.920 2.160 -2.267 1.00 0.00 N ATOM 558 CA LEU A 34 187.889 1.112 -2.222 1.00 0.00 C ATOM 559 C LEU A 34 187.850 0.306 -3.519 1.00 0.00 C ATOM 560 O LEU A 34 187.364 0.783 -4.545 1.00 0.00 O ATOM 561 CB LEU A 34 186.503 1.719 -1.958 1.00 0.00 C ATOM 562 CG LEU A 34 186.485 3.028 -1.159 1.00 0.00 C ATOM 563 CD1 LEU A 34 185.284 3.870 -1.545 1.00 0.00 C ATOM 564 CD2 LEU A 34 186.482 2.741 0.335 1.00 0.00 C ATOM 0 H LEU A 34 188.748 2.937 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 34 188.151 0.441 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.016 1.895 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 34 185.901 0.983 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 34 187.388 3.590 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 34 185.288 4.795 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 34 185.331 4.105 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 34 184.369 3.316 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 34 186.469 3.681 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 34 185.598 2.158 0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 34 187.377 2.178 0.599 1.00 0.00 H new ATOM 576 N ILE A 35 188.379 -0.911 -3.468 1.00 0.00 N ATOM 577 CA ILE A 35 188.419 -1.771 -4.646 1.00 0.00 C ATOM 578 C ILE A 35 187.150 -2.611 -4.795 1.00 0.00 C ATOM 579 O ILE A 35 186.489 -2.561 -5.833 1.00 0.00 O ATOM 580 CB ILE A 35 189.653 -2.700 -4.631 1.00 0.00 C ATOM 581 CG1 ILE A 35 189.673 -3.554 -3.356 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.928 -1.876 -4.757 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.042 -4.088 -2.988 1.00 0.00 C ATOM 0 H ILE A 35 188.785 -1.324 -2.628 1.00 0.00 H new ATOM 0 HA ILE A 35 188.489 -1.102 -5.504 1.00 0.00 H new ATOM 0 HB ILE A 35 189.594 -3.377 -5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 35 189.293 -2.958 -2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 35 188.990 -4.394 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 35 191.793 -2.540 -4.745 1.00 0.00 H new ATOM 0 HG22 ILE A 35 190.910 -1.319 -5.694 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.995 -1.179 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 35 190.968 -4.680 -2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 35 191.418 -4.713 -3.798 1.00 0.00 H new ATOM 0 HD13 ILE A 35 191.726 -3.255 -2.825 1.00 0.00 H new ATOM 595 N ASN A 36 186.815 -3.389 -3.768 1.00 0.00 N ATOM 596 CA ASN A 36 185.627 -4.238 -3.820 1.00 0.00 C ATOM 597 C ASN A 36 184.542 -3.738 -2.868 1.00 0.00 C ATOM 598 O ASN A 36 184.328 -4.308 -1.799 1.00 0.00 O ATOM 599 CB ASN A 36 185.993 -5.688 -3.494 1.00 0.00 C ATOM 600 CG ASN A 36 186.747 -5.832 -2.187 1.00 0.00 C ATOM 601 OD1 ASN A 36 186.432 -5.176 -1.197 1.00 0.00 O ATOM 602 ND2 ASN A 36 187.749 -6.702 -2.181 1.00 0.00 N ATOM 0 H ASN A 36 187.344 -3.449 -2.898 1.00 0.00 H new ATOM 0 HA ASN A 36 185.229 -4.193 -4.834 1.00 0.00 H new ATOM 0 HB2 ASN A 36 185.082 -6.285 -3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 36 186.600 -6.094 -4.303 1.00 0.00 H new ATOM 0 HD21 ASN A 36 188.293 -6.848 -1.330 1.00 0.00 H new ATOM 0 HD22 ASN A 36 187.975 -7.225 -3.027 1.00 0.00 H new ATOM 609 N PRO A 37 183.831 -2.666 -3.249 1.00 0.00 N ATOM 610 CA PRO A 37 182.758 -2.098 -2.428 1.00 0.00 C ATOM 611 C PRO A 37 181.580 -3.054 -2.287 1.00 0.00 C ATOM 612 O PRO A 37 180.659 -3.046 -3.103 1.00 0.00 O ATOM 613 CB PRO A 37 182.339 -0.843 -3.199 1.00 0.00 C ATOM 614 CG PRO A 37 182.748 -1.114 -4.605 1.00 0.00 C ATOM 615 CD PRO A 37 184.005 -1.930 -4.514 1.00 0.00 C ATOM 0 HA PRO A 37 183.088 -1.893 -1.410 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.265 -0.672 -3.124 1.00 0.00 H new ATOM 0 HB3 PRO A 37 182.832 0.047 -2.807 1.00 0.00 H new ATOM 0 HG2 PRO A 37 181.969 -1.655 -5.142 1.00 0.00 H new ATOM 0 HG3 PRO A 37 182.923 -0.185 -5.148 1.00 0.00 H new ATOM 0 HD2 PRO A 37 184.110 -2.606 -5.363 1.00 0.00 H new ATOM 0 HD3 PRO A 37 184.895 -1.300 -4.496 1.00 0.00 H new ATOM 623 N HIS A 38 181.617 -3.880 -1.246 1.00 0.00 N ATOM 624 CA HIS A 38 180.553 -4.846 -0.999 1.00 0.00 C ATOM 625 C HIS A 38 179.421 -4.213 -0.194 1.00 0.00 C ATOM 626 O HIS A 38 179.606 -3.835 0.963 1.00 0.00 O ATOM 627 CB HIS A 38 181.108 -6.067 -0.262 1.00 0.00 C ATOM 628 CG HIS A 38 180.995 -7.339 -1.043 1.00 0.00 C ATOM 629 ND1 HIS A 38 182.024 -8.253 -1.149 1.00 0.00 N ATOM 630 CD2 HIS A 38 179.965 -7.851 -1.759 1.00 0.00 C ATOM 631 CE1 HIS A 38 181.632 -9.268 -1.896 1.00 0.00 C ATOM 632 NE2 HIS A 38 180.388 -9.050 -2.278 1.00 0.00 N ATOM 0 H HIS A 38 182.372 -3.900 -0.560 1.00 0.00 H new ATOM 0 HA HIS A 38 180.151 -5.166 -1.960 1.00 0.00 H new ATOM 0 HB2 HIS A 38 182.156 -5.890 -0.021 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.578 -6.182 0.684 1.00 0.00 H new ATOM 0 HD2 HIS A 38 178.993 -7.400 -1.896 1.00 0.00 H new ATOM 0 HE1 HIS A 38 182.229 -10.131 -2.151 1.00 0.00 H new ATOM 0 HE2 HIS A 38 179.831 -9.672 -2.864 1.00 0.00 H new ATOM 641 N ILE A 39 178.253 -4.097 -0.814 1.00 0.00 N ATOM 642 CA ILE A 39 177.094 -3.505 -0.156 1.00 0.00 C ATOM 643 C ILE A 39 176.140 -4.584 0.353 1.00 0.00 C ATOM 644 O ILE A 39 175.552 -5.328 -0.432 1.00 0.00 O ATOM 645 CB ILE A 39 176.330 -2.557 -1.108 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.205 -1.360 -1.486 1.00 0.00 C ATOM 647 CG2 ILE A 39 175.030 -2.079 -0.470 1.00 0.00 C ATOM 648 CD1 ILE A 39 178.402 -1.723 -2.338 1.00 0.00 C ATOM 0 H ILE A 39 178.083 -4.405 -1.771 1.00 0.00 H new ATOM 0 HA ILE A 39 177.468 -2.929 0.691 1.00 0.00 H new ATOM 0 HB ILE A 39 176.084 -3.112 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 39 176.596 -0.632 -2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 39 177.553 -0.874 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.510 -1.413 -1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.397 -2.938 -0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.253 -1.544 0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 39 178.973 -0.823 -2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 39 179.034 -2.427 -1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 39 178.062 -2.181 -3.267 1.00 0.00 H new ATOM 660 N ILE A 40 175.988 -4.654 1.671 1.00 0.00 N ATOM 661 CA ILE A 40 175.102 -5.634 2.288 1.00 0.00 C ATOM 662 C ILE A 40 173.930 -4.943 2.979 1.00 0.00 C ATOM 663 O ILE A 40 173.964 -4.706 4.187 1.00 0.00 O ATOM 664 CB ILE A 40 175.843 -6.509 3.323 1.00 0.00 C ATOM 665 CG1 ILE A 40 177.277 -6.800 2.864 1.00 0.00 C ATOM 666 CG2 ILE A 40 175.087 -7.809 3.556 1.00 0.00 C ATOM 667 CD1 ILE A 40 178.058 -7.659 3.835 1.00 0.00 C ATOM 0 H ILE A 40 176.467 -4.043 2.333 1.00 0.00 H new ATOM 0 HA ILE A 40 174.736 -6.274 1.486 1.00 0.00 H new ATOM 0 HB ILE A 40 175.891 -5.959 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 40 177.246 -7.297 1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 40 177.803 -5.856 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 40 175.622 -8.415 4.288 1.00 0.00 H new ATOM 0 HG22 ILE A 40 174.088 -7.587 3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 40 175.010 -8.358 2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 40 179.063 -7.825 3.447 1.00 0.00 H new ATOM 0 HD12 ILE A 40 178.120 -7.154 4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 40 177.554 -8.618 3.959 1.00 0.00 H new ATOM 679 N LEU A 41 172.894 -4.621 2.211 1.00 0.00 N ATOM 680 CA LEU A 41 171.717 -3.954 2.756 1.00 0.00 C ATOM 681 C LEU A 41 170.586 -4.954 2.982 1.00 0.00 C ATOM 682 O LEU A 41 169.878 -5.325 2.049 1.00 0.00 O ATOM 683 CB LEU A 41 171.255 -2.840 1.810 1.00 0.00 C ATOM 684 CG LEU A 41 169.847 -2.300 2.074 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.809 -0.791 1.895 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.838 -2.975 1.156 1.00 0.00 C ATOM 0 H LEU A 41 172.846 -4.811 1.210 1.00 0.00 H new ATOM 0 HA LEU A 41 171.985 -3.514 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.962 -2.013 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 41 171.297 -3.214 0.787 1.00 0.00 H new ATOM 0 HG LEU A 41 169.579 -2.527 3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.800 -0.427 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 41 170.502 -0.324 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 41 170.098 -0.538 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.842 -2.580 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 41 169.104 -2.779 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.845 -4.050 1.336 1.00 0.00 H new ATOM 698 N SER A 42 170.420 -5.386 4.225 1.00 0.00 N ATOM 699 CA SER A 42 169.373 -6.341 4.561 1.00 0.00 C ATOM 700 C SER A 42 168.247 -5.665 5.332 1.00 0.00 C ATOM 701 O SER A 42 168.373 -4.515 5.749 1.00 0.00 O ATOM 702 CB SER A 42 169.947 -7.501 5.367 1.00 0.00 C ATOM 703 OG SER A 42 170.581 -8.440 4.513 1.00 0.00 O ATOM 0 H SER A 42 170.995 -5.092 5.015 1.00 0.00 H new ATOM 0 HA SER A 42 168.961 -6.733 3.631 1.00 0.00 H new ATOM 0 HB2 SER A 42 170.664 -7.124 6.097 1.00 0.00 H new ATOM 0 HB3 SER A 42 169.150 -7.991 5.927 1.00 0.00 H new ATOM 0 HG SER A 42 171.261 -8.934 5.017 1.00 0.00 H new ATOM 709 N LYS A 43 167.144 -6.383 5.517 1.00 0.00 N ATOM 710 CA LYS A 43 165.996 -5.828 6.238 1.00 0.00 C ATOM 711 C LYS A 43 165.886 -6.410 7.645 1.00 0.00 C ATOM 712 O LYS A 43 165.568 -7.585 7.818 1.00 0.00 O ATOM 713 CB LYS A 43 164.686 -6.066 5.469 1.00 0.00 C ATOM 714 CG LYS A 43 163.913 -4.789 5.185 1.00 0.00 C ATOM 715 CD LYS A 43 162.729 -5.049 4.268 1.00 0.00 C ATOM 716 CE LYS A 43 161.731 -6.002 4.904 1.00 0.00 C ATOM 717 NZ LYS A 43 160.640 -6.375 3.961 1.00 0.00 N ATOM 0 H LYS A 43 167.017 -7.339 5.184 1.00 0.00 H new ATOM 0 HA LYS A 43 166.161 -4.754 6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.912 -6.563 4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 43 164.055 -6.744 6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 43 163.561 -4.359 6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 43 164.576 -4.055 4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 43 162.235 -4.106 4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 43 163.082 -5.466 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 43 162.249 -6.902 5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 43 161.301 -5.538 5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 159.980 -7.026 4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 160.129 -5.519 3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 161.048 -6.841 3.125 1.00 0.00 H new ATOM 731 N GLU A 44 166.141 -5.572 8.647 1.00 0.00 N ATOM 732 CA GLU A 44 166.061 -6.000 10.040 1.00 0.00 C ATOM 733 C GLU A 44 164.776 -5.483 10.687 1.00 0.00 C ATOM 734 O GLU A 44 164.352 -4.356 10.431 1.00 0.00 O ATOM 735 CB GLU A 44 167.292 -5.515 10.820 1.00 0.00 C ATOM 736 CG GLU A 44 167.104 -5.477 12.332 1.00 0.00 C ATOM 737 CD GLU A 44 168.335 -4.969 13.060 1.00 0.00 C ATOM 738 OE1 GLU A 44 168.789 -3.849 12.747 1.00 0.00 O ATOM 739 OE2 GLU A 44 168.843 -5.693 13.943 1.00 0.00 O ATOM 0 H GLU A 44 166.404 -4.595 8.520 1.00 0.00 H new ATOM 0 HA GLU A 44 166.043 -7.090 10.067 1.00 0.00 H new ATOM 0 HB2 GLU A 44 168.134 -6.166 10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 44 167.556 -4.516 10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 44 166.254 -4.838 12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 44 166.862 -6.478 12.690 1.00 0.00 H new ATOM 746 N PRO A 45 164.136 -6.311 11.534 1.00 0.00 N ATOM 747 CA PRO A 45 162.897 -5.965 12.227 1.00 0.00 C ATOM 748 C PRO A 45 162.816 -4.495 12.629 1.00 0.00 C ATOM 749 O PRO A 45 161.825 -3.818 12.354 1.00 0.00 O ATOM 750 CB PRO A 45 162.937 -6.841 13.487 1.00 0.00 C ATOM 751 CG PRO A 45 164.043 -7.838 13.286 1.00 0.00 C ATOM 752 CD PRO A 45 164.564 -7.666 11.885 1.00 0.00 C ATOM 0 HA PRO A 45 162.032 -6.129 11.584 1.00 0.00 H new ATOM 0 HB2 PRO A 45 163.119 -6.235 14.374 1.00 0.00 H new ATOM 0 HB3 PRO A 45 161.983 -7.347 13.637 1.00 0.00 H new ATOM 0 HG2 PRO A 45 164.839 -7.678 14.013 1.00 0.00 H new ATOM 0 HG3 PRO A 45 163.675 -8.853 13.435 1.00 0.00 H new ATOM 0 HD2 PRO A 45 165.648 -7.770 11.843 1.00 0.00 H new ATOM 0 HD3 PRO A 45 164.146 -8.409 11.206 1.00 0.00 H new ATOM 760 N GLN A 46 163.850 -4.019 13.310 1.00 0.00 N ATOM 761 CA GLN A 46 163.882 -2.641 13.782 1.00 0.00 C ATOM 762 C GLN A 46 164.733 -1.739 12.888 1.00 0.00 C ATOM 763 O GLN A 46 165.618 -1.031 13.372 1.00 0.00 O ATOM 764 CB GLN A 46 164.406 -2.601 15.218 1.00 0.00 C ATOM 765 CG GLN A 46 163.770 -1.511 16.068 1.00 0.00 C ATOM 766 CD GLN A 46 163.103 -2.054 17.316 1.00 0.00 C ATOM 767 OE1 GLN A 46 163.471 -1.699 18.437 1.00 0.00 O ATOM 768 NE2 GLN A 46 162.116 -2.923 17.128 1.00 0.00 N ATOM 0 H GLN A 46 164.677 -4.566 13.548 1.00 0.00 H new ATOM 0 HA GLN A 46 162.862 -2.258 13.747 1.00 0.00 H new ATOM 0 HB2 GLN A 46 164.227 -3.568 15.688 1.00 0.00 H new ATOM 0 HB3 GLN A 46 165.485 -2.451 15.198 1.00 0.00 H new ATOM 0 HG2 GLN A 46 164.534 -0.788 16.355 1.00 0.00 H new ATOM 0 HG3 GLN A 46 163.032 -0.975 15.471 1.00 0.00 H new ATOM 0 HE21 GLN A 46 161.844 -3.189 16.182 1.00 0.00 H new ATOM 0 HE22 GLN A 46 161.630 -3.324 17.930 1.00 0.00 H new ATOM 777 N GLY A 47 164.445 -1.739 11.587 1.00 0.00 N ATOM 778 CA GLY A 47 165.184 -0.886 10.671 1.00 0.00 C ATOM 779 C GLY A 47 166.025 -1.642 9.660 1.00 0.00 C ATOM 780 O GLY A 47 166.344 -2.815 9.848 1.00 0.00 O ATOM 0 H GLY A 47 163.719 -2.310 11.154 1.00 0.00 H new ATOM 0 HA2 GLY A 47 164.479 -0.249 10.137 1.00 0.00 H new ATOM 0 HA3 GLY A 47 165.834 -0.228 11.248 1.00 0.00 H new ATOM 784 N PHE A 48 166.390 -0.946 8.585 1.00 0.00 N ATOM 785 CA PHE A 48 167.209 -1.517 7.524 1.00 0.00 C ATOM 786 C PHE A 48 168.631 -1.741 8.021 1.00 0.00 C ATOM 787 O PHE A 48 169.112 -1.003 8.880 1.00 0.00 O ATOM 788 CB PHE A 48 167.235 -0.578 6.315 1.00 0.00 C ATOM 789 CG PHE A 48 166.501 -1.107 5.121 1.00 0.00 C ATOM 790 CD1 PHE A 48 166.982 -2.207 4.437 1.00 0.00 C ATOM 791 CD2 PHE A 48 165.334 -0.505 4.682 1.00 0.00 C ATOM 792 CE1 PHE A 48 166.317 -2.700 3.336 1.00 0.00 C ATOM 793 CE2 PHE A 48 164.661 -0.994 3.578 1.00 0.00 C ATOM 794 CZ PHE A 48 165.153 -2.094 2.903 1.00 0.00 C ATOM 0 H PHE A 48 166.126 0.027 8.428 1.00 0.00 H new ATOM 0 HA PHE A 48 166.776 -2.473 7.229 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.801 0.380 6.602 1.00 0.00 H new ATOM 0 HB3 PHE A 48 168.272 -0.388 6.037 1.00 0.00 H new ATOM 0 HD1 PHE A 48 167.891 -2.686 4.770 1.00 0.00 H new ATOM 0 HD2 PHE A 48 164.946 0.355 5.207 1.00 0.00 H new ATOM 0 HE1 PHE A 48 166.705 -3.560 2.811 1.00 0.00 H new ATOM 0 HE2 PHE A 48 163.752 -0.517 3.244 1.00 0.00 H new ATOM 0 HZ PHE A 48 164.630 -2.479 2.040 1.00 0.00 H new ATOM 804 N VAL A 49 169.291 -2.764 7.479 1.00 0.00 N ATOM 805 CA VAL A 49 170.660 -3.093 7.869 1.00 0.00 C ATOM 806 C VAL A 49 171.644 -2.814 6.737 1.00 0.00 C ATOM 807 O VAL A 49 172.171 -3.734 6.113 1.00 0.00 O ATOM 808 CB VAL A 49 170.793 -4.572 8.285 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.829 -4.726 9.387 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.454 -5.126 8.730 1.00 0.00 C ATOM 0 H VAL A 49 168.898 -3.380 6.767 1.00 0.00 H new ATOM 0 HA VAL A 49 170.897 -2.457 8.722 1.00 0.00 H new ATOM 0 HB VAL A 49 171.127 -5.142 7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.909 -5.776 9.667 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.796 -4.371 9.030 1.00 0.00 H new ATOM 0 HG13 VAL A 49 171.526 -4.141 10.255 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.570 -6.171 9.019 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.088 -4.552 9.581 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.740 -5.054 7.910 1.00 0.00 H new ATOM 820 N ALA A 50 171.887 -1.538 6.477 1.00 0.00 N ATOM 821 CA ALA A 50 172.809 -1.139 5.420 1.00 0.00 C ATOM 822 C ALA A 50 174.258 -1.361 5.845 1.00 0.00 C ATOM 823 O ALA A 50 174.892 -0.470 6.409 1.00 0.00 O ATOM 824 CB ALA A 50 172.584 0.318 5.042 1.00 0.00 C ATOM 0 H ALA A 50 171.460 -0.761 6.982 1.00 0.00 H new ATOM 0 HA ALA A 50 172.613 -1.761 4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 50 173.280 0.601 4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.561 0.448 4.689 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.750 0.950 5.914 1.00 0.00 H new ATOM 830 N ASP A 51 174.774 -2.558 5.576 1.00 0.00 N ATOM 831 CA ASP A 51 176.145 -2.901 5.938 1.00 0.00 C ATOM 832 C ASP A 51 177.024 -3.043 4.699 1.00 0.00 C ATOM 833 O ASP A 51 177.172 -4.137 4.153 1.00 0.00 O ATOM 834 CB ASP A 51 176.169 -4.204 6.738 1.00 0.00 C ATOM 835 CG ASP A 51 175.767 -4.001 8.186 1.00 0.00 C ATOM 836 OD1 ASP A 51 174.617 -3.579 8.429 1.00 0.00 O ATOM 837 OD2 ASP A 51 176.601 -4.266 9.077 1.00 0.00 O ATOM 0 H ASP A 51 174.262 -3.306 5.108 1.00 0.00 H new ATOM 0 HA ASP A 51 176.542 -2.091 6.550 1.00 0.00 H new ATOM 0 HB2 ASP A 51 175.495 -4.924 6.274 1.00 0.00 H new ATOM 0 HB3 ASP A 51 177.170 -4.633 6.698 1.00 0.00 H new ATOM 842 N ALA A 52 177.606 -1.932 4.256 1.00 0.00 N ATOM 843 CA ALA A 52 178.469 -1.939 3.080 1.00 0.00 C ATOM 844 C ALA A 52 179.944 -1.910 3.474 1.00 0.00 C ATOM 845 O ALA A 52 180.425 -0.931 4.045 1.00 0.00 O ATOM 846 CB ALA A 52 178.140 -0.758 2.179 1.00 0.00 C ATOM 0 H ALA A 52 177.496 -1.017 4.693 1.00 0.00 H new ATOM 0 HA ALA A 52 178.286 -2.864 2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.791 -0.775 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.100 -0.824 1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.293 0.172 2.727 1.00 0.00 H new ATOM 852 N THR A 53 180.656 -2.990 3.163 1.00 0.00 N ATOM 853 CA THR A 53 182.077 -3.090 3.481 1.00 0.00 C ATOM 854 C THR A 53 182.933 -2.740 2.266 1.00 0.00 C ATOM 855 O THR A 53 182.752 -3.300 1.185 1.00 0.00 O ATOM 856 CB THR A 53 182.411 -4.500 3.967 1.00 0.00 C ATOM 857 OG1 THR A 53 183.813 -4.691 4.036 1.00 0.00 O ATOM 858 CG2 THR A 53 181.843 -5.587 3.080 1.00 0.00 C ATOM 0 H THR A 53 180.272 -3.808 2.691 1.00 0.00 H new ATOM 0 HA THR A 53 182.299 -2.377 4.275 1.00 0.00 H new ATOM 0 HB THR A 53 181.954 -4.580 4.954 1.00 0.00 H new ATOM 0 HG1 THR A 53 184.004 -5.599 4.351 1.00 0.00 H new ATOM 0 HG21 THR A 53 182.116 -6.563 3.481 1.00 0.00 H new ATOM 0 HG22 THR A 53 180.757 -5.499 3.047 1.00 0.00 H new ATOM 0 HG23 THR A 53 182.246 -5.482 2.073 1.00 0.00 H new ATOM 866 N ILE A 54 183.864 -1.810 2.452 1.00 0.00 N ATOM 867 CA ILE A 54 184.749 -1.379 1.373 1.00 0.00 C ATOM 868 C ILE A 54 186.202 -1.723 1.676 1.00 0.00 C ATOM 869 O ILE A 54 186.652 -1.591 2.811 1.00 0.00 O ATOM 870 CB ILE A 54 184.651 0.143 1.130 1.00 0.00 C ATOM 871 CG1 ILE A 54 184.378 0.892 2.446 1.00 0.00 C ATOM 872 CG2 ILE A 54 183.583 0.448 0.089 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.910 1.037 2.800 1.00 0.00 C ATOM 0 H ILE A 54 184.026 -1.339 3.342 1.00 0.00 H new ATOM 0 HA ILE A 54 184.423 -1.911 0.479 1.00 0.00 H new ATOM 0 HB ILE A 54 185.608 0.493 0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 54 184.883 0.369 3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 54 184.822 1.885 2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 54 183.527 1.525 -0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 54 183.838 -0.045 -0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 54 182.618 0.083 0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 54 182.814 1.577 3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 54 182.398 1.589 2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 54 182.461 0.049 2.901 1.00 0.00 H new ATOM 885 N ASN A 55 186.934 -2.152 0.652 1.00 0.00 N ATOM 886 CA ASN A 55 188.342 -2.502 0.817 1.00 0.00 C ATOM 887 C ASN A 55 189.227 -1.270 0.647 1.00 0.00 C ATOM 888 O ASN A 55 189.616 -0.919 -0.468 1.00 0.00 O ATOM 889 CB ASN A 55 188.751 -3.586 -0.183 1.00 0.00 C ATOM 890 CG ASN A 55 188.989 -4.925 0.488 1.00 0.00 C ATOM 891 OD1 ASN A 55 188.314 -5.911 0.195 1.00 0.00 O ATOM 892 ND2 ASN A 55 189.955 -4.966 1.399 1.00 0.00 N ATOM 0 H ASN A 55 186.578 -2.265 -0.297 1.00 0.00 H new ATOM 0 HA ASN A 55 188.477 -2.891 1.826 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.972 -3.693 -0.938 1.00 0.00 H new ATOM 0 HB3 ASN A 55 189.658 -3.275 -0.702 1.00 0.00 H new ATOM 0 HD21 ASN A 55 190.161 -5.839 1.885 1.00 0.00 H new ATOM 0 HD22 ASN A 55 190.491 -4.125 1.612 1.00 0.00 H new ATOM 899 N THR A 56 189.540 -0.623 1.768 1.00 0.00 N ATOM 900 CA THR A 56 190.380 0.570 1.765 1.00 0.00 C ATOM 901 C THR A 56 191.855 0.188 1.886 1.00 0.00 C ATOM 902 O THR A 56 192.179 -0.927 2.296 1.00 0.00 O ATOM 903 CB THR A 56 189.984 1.499 2.916 1.00 0.00 C ATOM 904 OG1 THR A 56 190.517 1.032 4.142 1.00 0.00 O ATOM 905 CG2 THR A 56 188.485 1.638 3.092 1.00 0.00 C ATOM 0 H THR A 56 189.222 -0.908 2.694 1.00 0.00 H new ATOM 0 HA THR A 56 190.232 1.093 0.820 1.00 0.00 H new ATOM 0 HB THR A 56 190.393 2.474 2.650 1.00 0.00 H new ATOM 0 HG1 THR A 56 190.128 1.542 4.883 1.00 0.00 H new ATOM 0 HG21 THR A 56 188.277 2.310 3.925 1.00 0.00 H new ATOM 0 HG22 THR A 56 188.048 2.044 2.180 1.00 0.00 H new ATOM 0 HG23 THR A 56 188.051 0.660 3.298 1.00 0.00 H new ATOM 913 N PRO A 57 192.776 1.105 1.531 1.00 0.00 N ATOM 914 CA PRO A 57 194.218 0.843 1.606 1.00 0.00 C ATOM 915 C PRO A 57 194.682 0.540 3.028 1.00 0.00 C ATOM 916 O PRO A 57 195.626 -0.222 3.233 1.00 0.00 O ATOM 917 CB PRO A 57 194.856 2.143 1.101 1.00 0.00 C ATOM 918 CG PRO A 57 193.793 3.178 1.246 1.00 0.00 C ATOM 919 CD PRO A 57 192.492 2.462 1.031 1.00 0.00 C ATOM 0 HA PRO A 57 194.496 -0.034 1.022 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.740 2.401 1.684 1.00 0.00 H new ATOM 0 HB3 PRO A 57 195.175 2.048 0.063 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.827 3.638 2.234 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.924 3.978 0.517 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.676 2.932 1.580 1.00 0.00 H new ATOM 0 HD3 PRO A 57 192.205 2.453 -0.020 1.00 0.00 H new ATOM 927 N ASN A 58 194.015 1.141 4.006 1.00 0.00 N ATOM 928 CA ASN A 58 194.366 0.932 5.408 1.00 0.00 C ATOM 929 C ASN A 58 193.617 -0.263 6.001 1.00 0.00 C ATOM 930 O ASN A 58 193.849 -0.636 7.150 1.00 0.00 O ATOM 931 CB ASN A 58 194.068 2.194 6.222 1.00 0.00 C ATOM 932 CG ASN A 58 195.309 2.764 6.880 1.00 0.00 C ATOM 933 OD1 ASN A 58 195.717 3.890 6.592 1.00 0.00 O ATOM 934 ND2 ASN A 58 195.918 1.988 7.770 1.00 0.00 N ATOM 0 H ASN A 58 193.230 1.775 3.856 1.00 0.00 H new ATOM 0 HA ASN A 58 195.434 0.717 5.455 1.00 0.00 H new ATOM 0 HB2 ASN A 58 193.627 2.948 5.570 1.00 0.00 H new ATOM 0 HB3 ASN A 58 193.328 1.963 6.988 1.00 0.00 H new ATOM 0 HD21 ASN A 58 196.758 2.319 8.245 1.00 0.00 H new ATOM 0 HD22 ASN A 58 195.546 1.062 7.978 1.00 0.00 H new ATOM 941 N GLY A 59 192.722 -0.859 5.216 1.00 0.00 N ATOM 942 CA GLY A 59 191.967 -2.000 5.697 1.00 0.00 C ATOM 943 C GLY A 59 190.618 -2.136 5.018 1.00 0.00 C ATOM 944 O GLY A 59 190.543 -2.466 3.834 1.00 0.00 O ATOM 0 H GLY A 59 192.508 -0.573 4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.546 -2.909 5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.820 -1.906 6.773 1.00 0.00 H new ATOM 948 N VAL A 60 189.552 -1.886 5.768 1.00 0.00 N ATOM 949 CA VAL A 60 188.199 -1.984 5.233 1.00 0.00 C ATOM 950 C VAL A 60 187.238 -1.088 6.008 1.00 0.00 C ATOM 951 O VAL A 60 187.102 -1.213 7.224 1.00 0.00 O ATOM 952 CB VAL A 60 187.684 -3.438 5.279 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.309 -3.549 4.637 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.672 -4.374 4.598 1.00 0.00 C ATOM 0 H VAL A 60 189.598 -1.614 6.750 1.00 0.00 H new ATOM 0 HA VAL A 60 188.240 -1.654 4.195 1.00 0.00 H new ATOM 0 HB VAL A 60 187.592 -3.733 6.324 1.00 0.00 H new ATOM 0 HG11 VAL A 60 185.969 -4.584 4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.605 -2.912 5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.367 -3.231 3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.293 -5.395 4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 60 188.798 -4.076 3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.633 -4.322 5.109 1.00 0.00 H new ATOM 964 N LEU A 61 186.571 -0.189 5.293 1.00 0.00 N ATOM 965 CA LEU A 61 185.619 0.723 5.916 1.00 0.00 C ATOM 966 C LEU A 61 184.237 0.082 6.006 1.00 0.00 C ATOM 967 O LEU A 61 183.683 -0.364 5.001 1.00 0.00 O ATOM 968 CB LEU A 61 185.545 2.033 5.127 1.00 0.00 C ATOM 969 CG LEU A 61 186.133 3.253 5.844 1.00 0.00 C ATOM 970 CD1 LEU A 61 187.177 3.936 4.973 1.00 0.00 C ATOM 971 CD2 LEU A 61 185.032 4.233 6.224 1.00 0.00 C ATOM 0 H LEU A 61 186.671 -0.072 4.285 1.00 0.00 H new ATOM 0 HA LEU A 61 185.963 0.940 6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 61 186.068 1.900 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.501 2.238 4.889 1.00 0.00 H new ATOM 0 HG LEU A 61 186.619 2.910 6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 61 187.582 4.800 5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 61 187.982 3.235 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 61 186.716 4.263 4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 61 185.469 5.092 6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 61 184.516 4.567 5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 61 184.321 3.742 6.888 1.00 0.00 H new ATOM 983 N VAL A 62 183.687 0.032 7.214 1.00 0.00 N ATOM 984 CA VAL A 62 182.375 -0.561 7.428 1.00 0.00 C ATOM 985 C VAL A 62 181.279 0.497 7.348 1.00 0.00 C ATOM 986 O VAL A 62 181.155 1.346 8.230 1.00 0.00 O ATOM 987 CB VAL A 62 182.300 -1.280 8.792 1.00 0.00 C ATOM 988 CG1 VAL A 62 180.864 -1.653 9.142 1.00 0.00 C ATOM 989 CG2 VAL A 62 183.186 -2.516 8.781 1.00 0.00 C ATOM 0 H VAL A 62 184.130 0.395 8.058 1.00 0.00 H new ATOM 0 HA VAL A 62 182.220 -1.295 6.637 1.00 0.00 H new ATOM 0 HB VAL A 62 182.660 -0.594 9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 62 180.844 -2.158 10.108 1.00 0.00 H new ATOM 0 HG12 VAL A 62 180.255 -0.750 9.192 1.00 0.00 H new ATOM 0 HG13 VAL A 62 180.464 -2.318 8.377 1.00 0.00 H new ATOM 0 HG21 VAL A 62 183.126 -3.016 9.748 1.00 0.00 H new ATOM 0 HG22 VAL A 62 182.850 -3.197 7.999 1.00 0.00 H new ATOM 0 HG23 VAL A 62 184.218 -2.222 8.588 1.00 0.00 H new ATOM 999 N ALA A 63 180.487 0.435 6.285 1.00 0.00 N ATOM 1000 CA ALA A 63 179.400 1.381 6.088 1.00 0.00 C ATOM 1001 C ALA A 63 178.100 0.843 6.675 1.00 0.00 C ATOM 1002 O ALA A 63 177.309 0.206 5.978 1.00 0.00 O ATOM 1003 CB ALA A 63 179.233 1.684 4.607 1.00 0.00 C ATOM 0 H ALA A 63 180.579 -0.262 5.546 1.00 0.00 H new ATOM 0 HA ALA A 63 179.647 2.306 6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.417 2.393 4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 63 180.156 2.114 4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 63 179.007 0.763 4.070 1.00 0.00 H new ATOM 1009 N SER A 64 177.889 1.095 7.963 1.00 0.00 N ATOM 1010 CA SER A 64 176.689 0.630 8.646 1.00 0.00 C ATOM 1011 C SER A 64 175.617 1.715 8.681 1.00 0.00 C ATOM 1012 O SER A 64 175.881 2.852 9.071 1.00 0.00 O ATOM 1013 CB SER A 64 177.027 0.182 10.070 1.00 0.00 C ATOM 1014 OG SER A 64 178.236 0.772 10.517 1.00 0.00 O ATOM 0 H SER A 64 178.534 1.619 8.554 1.00 0.00 H new ATOM 0 HA SER A 64 176.295 -0.220 8.088 1.00 0.00 H new ATOM 0 HB2 SER A 64 176.215 0.456 10.743 1.00 0.00 H new ATOM 0 HB3 SER A 64 177.115 -0.904 10.102 1.00 0.00 H new ATOM 0 HG SER A 64 178.429 0.471 11.430 1.00 0.00 H new ATOM 1020 N GLY A 65 174.406 1.351 8.275 1.00 0.00 N ATOM 1021 CA GLY A 65 173.304 2.295 8.269 1.00 0.00 C ATOM 1022 C GLY A 65 171.993 1.645 8.662 1.00 0.00 C ATOM 1023 O GLY A 65 171.378 0.940 7.861 1.00 0.00 O ATOM 0 H GLY A 65 174.167 0.415 7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.523 3.112 8.957 1.00 0.00 H new ATOM 0 HA3 GLY A 65 173.208 2.732 7.275 1.00 0.00 H new ATOM 1027 N LYS A 66 171.569 1.871 9.900 1.00 0.00 N ATOM 1028 CA LYS A 66 170.325 1.292 10.397 1.00 0.00 C ATOM 1029 C LYS A 66 169.201 2.322 10.406 1.00 0.00 C ATOM 1030 O LYS A 66 169.364 3.425 10.926 1.00 0.00 O ATOM 1031 CB LYS A 66 170.530 0.726 11.805 1.00 0.00 C ATOM 1032 CG LYS A 66 170.587 -0.792 11.848 1.00 0.00 C ATOM 1033 CD LYS A 66 171.899 -1.315 11.287 1.00 0.00 C ATOM 1034 CE LYS A 66 173.039 -1.140 12.278 1.00 0.00 C ATOM 1035 NZ LYS A 66 174.258 -0.584 11.628 1.00 0.00 N ATOM 0 H LYS A 66 172.066 2.449 10.577 1.00 0.00 H new ATOM 0 HA LYS A 66 170.039 0.484 9.724 1.00 0.00 H new ATOM 0 HB2 LYS A 66 171.455 1.128 12.218 1.00 0.00 H new ATOM 0 HB3 LYS A 66 169.719 1.069 12.447 1.00 0.00 H new ATOM 0 HG2 LYS A 66 170.468 -1.133 12.876 1.00 0.00 H new ATOM 0 HG3 LYS A 66 169.755 -1.205 11.277 1.00 0.00 H new ATOM 0 HD2 LYS A 66 171.793 -2.370 11.035 1.00 0.00 H new ATOM 0 HD3 LYS A 66 172.136 -0.789 10.362 1.00 0.00 H new ATOM 0 HE2 LYS A 66 172.722 -0.477 13.083 1.00 0.00 H new ATOM 0 HE3 LYS A 66 173.276 -2.102 12.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 175.012 -0.480 12.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 174.576 -1.229 10.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 174.039 0.346 11.216 1.00 0.00 H new ATOM 1049 N HIS A 67 168.055 1.957 9.833 1.00 0.00 N ATOM 1050 CA HIS A 67 166.909 2.871 9.792 1.00 0.00 C ATOM 1051 C HIS A 67 165.679 2.217 9.160 1.00 0.00 C ATOM 1052 O HIS A 67 165.783 1.497 8.170 1.00 0.00 O ATOM 1053 CB HIS A 67 167.274 4.143 9.025 1.00 0.00 C ATOM 1054 CG HIS A 67 167.229 5.377 9.871 1.00 0.00 C ATOM 1055 ND1 HIS A 67 168.300 5.810 10.624 1.00 0.00 N ATOM 1056 CD2 HIS A 67 166.236 6.273 10.085 1.00 0.00 C ATOM 1057 CE1 HIS A 67 167.968 6.918 11.263 1.00 0.00 C ATOM 1058 NE2 HIS A 67 166.721 7.220 10.953 1.00 0.00 N ATOM 0 H HIS A 67 167.894 1.049 9.396 1.00 0.00 H new ATOM 0 HA HIS A 67 166.658 3.126 10.822 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.275 4.033 8.608 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.590 4.262 8.185 1.00 0.00 H new ATOM 0 HD1 HIS A 67 169.207 5.347 10.679 1.00 0.00 H new ATOM 0 HD2 HIS A 67 165.246 6.247 9.653 1.00 0.00 H new ATOM 0 HE1 HIS A 67 168.608 7.481 11.926 1.00 0.00 H new ATOM 1067 N GLU A 68 164.512 2.481 9.747 1.00 0.00 N ATOM 1068 CA GLU A 68 163.249 1.927 9.259 1.00 0.00 C ATOM 1069 C GLU A 68 163.075 2.146 7.758 1.00 0.00 C ATOM 1070 O GLU A 68 162.708 1.225 7.028 1.00 0.00 O ATOM 1071 CB GLU A 68 162.069 2.547 10.009 1.00 0.00 C ATOM 1072 CG GLU A 68 162.112 4.065 10.073 1.00 0.00 C ATOM 1073 CD GLU A 68 160.950 4.649 10.854 1.00 0.00 C ATOM 1074 OE1 GLU A 68 159.814 4.624 10.335 1.00 0.00 O ATOM 1075 OE2 GLU A 68 161.177 5.129 11.984 1.00 0.00 O ATOM 0 H GLU A 68 164.415 3.080 10.567 1.00 0.00 H new ATOM 0 HA GLU A 68 163.275 0.853 9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 68 161.142 2.239 9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 68 162.047 2.150 11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 68 163.049 4.379 10.533 1.00 0.00 H new ATOM 0 HG3 GLU A 68 162.103 4.468 9.060 1.00 0.00 H new ATOM 1082 N ASP A 69 163.329 3.366 7.302 1.00 0.00 N ATOM 1083 CA ASP A 69 163.187 3.689 5.888 1.00 0.00 C ATOM 1084 C ASP A 69 164.428 3.276 5.104 1.00 0.00 C ATOM 1085 O ASP A 69 165.541 3.274 5.632 1.00 0.00 O ATOM 1086 CB ASP A 69 162.915 5.182 5.701 1.00 0.00 C ATOM 1087 CG ASP A 69 161.499 5.461 5.235 1.00 0.00 C ATOM 1088 OD1 ASP A 69 161.177 5.123 4.078 1.00 0.00 O ATOM 1089 OD2 ASP A 69 160.712 6.021 6.028 1.00 0.00 O ATOM 0 H ASP A 69 163.633 4.144 7.887 1.00 0.00 H new ATOM 0 HA ASP A 69 162.337 3.128 5.501 1.00 0.00 H new ATOM 0 HB2 ASP A 69 163.093 5.701 6.643 1.00 0.00 H new ATOM 0 HB3 ASP A 69 163.619 5.588 4.975 1.00 0.00 H new ATOM 1094 N MET A 70 164.222 2.913 3.844 1.00 0.00 N ATOM 1095 CA MET A 70 165.314 2.478 2.983 1.00 0.00 C ATOM 1096 C MET A 70 166.304 3.612 2.708 1.00 0.00 C ATOM 1097 O MET A 70 167.512 3.432 2.852 1.00 0.00 O ATOM 1098 CB MET A 70 164.748 1.906 1.671 1.00 0.00 C ATOM 1099 CG MET A 70 164.880 2.824 0.462 1.00 0.00 C ATOM 1100 SD MET A 70 164.108 2.140 -1.016 1.00 0.00 S ATOM 1101 CE MET A 70 162.374 2.340 -0.614 1.00 0.00 C ATOM 0 H MET A 70 163.306 2.911 3.395 1.00 0.00 H new ATOM 0 HA MET A 70 165.866 1.694 3.501 1.00 0.00 H new ATOM 0 HB2 MET A 70 165.255 0.966 1.453 1.00 0.00 H new ATOM 0 HB3 MET A 70 163.694 1.672 1.818 1.00 0.00 H new ATOM 0 HG2 MET A 70 164.426 3.788 0.691 1.00 0.00 H new ATOM 0 HG3 MET A 70 165.936 3.008 0.264 1.00 0.00 H new ATOM 0 HE1 MET A 70 161.774 2.199 -1.513 1.00 0.00 H new ATOM 0 HE2 MET A 70 162.086 1.601 0.134 1.00 0.00 H new ATOM 0 HE3 MET A 70 162.205 3.342 -0.218 1.00 0.00 H new ATOM 1111 N TYR A 71 165.791 4.770 2.305 1.00 0.00 N ATOM 1112 CA TYR A 71 166.647 5.914 2.005 1.00 0.00 C ATOM 1113 C TYR A 71 167.323 6.451 3.260 1.00 0.00 C ATOM 1114 O TYR A 71 168.502 6.803 3.230 1.00 0.00 O ATOM 1115 CB TYR A 71 165.847 7.022 1.316 1.00 0.00 C ATOM 1116 CG TYR A 71 165.606 6.777 -0.163 1.00 0.00 C ATOM 1117 CD1 TYR A 71 166.281 5.771 -0.849 1.00 0.00 C ATOM 1118 CD2 TYR A 71 164.699 7.554 -0.873 1.00 0.00 C ATOM 1119 CE1 TYR A 71 166.061 5.548 -2.191 1.00 0.00 C ATOM 1120 CE2 TYR A 71 164.472 7.336 -2.220 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.155 6.332 -2.874 1.00 0.00 C ATOM 1122 OH TYR A 71 164.933 6.112 -4.214 1.00 0.00 O ATOM 0 H TYR A 71 164.793 4.941 2.179 1.00 0.00 H new ATOM 0 HA TYR A 71 167.427 5.570 1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.885 7.129 1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.376 7.967 1.436 1.00 0.00 H new ATOM 0 HD1 TYR A 71 166.991 5.153 -0.319 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.162 8.341 -0.365 1.00 0.00 H new ATOM 0 HE1 TYR A 71 166.596 4.763 -2.705 1.00 0.00 H new ATOM 0 HE2 TYR A 71 163.763 7.949 -2.757 1.00 0.00 H new ATOM 0 HH TYR A 71 164.265 6.749 -4.544 1.00 0.00 H new ATOM 1132 N THR A 72 166.586 6.504 4.364 1.00 0.00 N ATOM 1133 CA THR A 72 167.152 6.992 5.615 1.00 0.00 C ATOM 1134 C THR A 72 168.301 6.090 6.052 1.00 0.00 C ATOM 1135 O THR A 72 169.249 6.538 6.697 1.00 0.00 O ATOM 1136 CB THR A 72 166.086 7.069 6.709 1.00 0.00 C ATOM 1137 OG1 THR A 72 164.791 6.979 6.150 1.00 0.00 O ATOM 1138 CG2 THR A 72 166.144 8.351 7.512 1.00 0.00 C ATOM 0 H THR A 72 165.608 6.219 4.419 1.00 0.00 H new ATOM 0 HA THR A 72 167.534 8.000 5.450 1.00 0.00 H new ATOM 0 HB THR A 72 166.293 6.230 7.373 1.00 0.00 H new ATOM 0 HG1 THR A 72 164.192 7.603 6.611 1.00 0.00 H new ATOM 0 HG21 THR A 72 165.361 8.341 8.271 1.00 0.00 H new ATOM 0 HG22 THR A 72 167.117 8.434 7.996 1.00 0.00 H new ATOM 0 HG23 THR A 72 165.995 9.203 6.849 1.00 0.00 H new ATOM 1146 N ALA A 73 168.217 4.815 5.676 1.00 0.00 N ATOM 1147 CA ALA A 73 169.258 3.853 6.009 1.00 0.00 C ATOM 1148 C ALA A 73 170.525 4.146 5.215 1.00 0.00 C ATOM 1149 O ALA A 73 171.630 4.108 5.753 1.00 0.00 O ATOM 1150 CB ALA A 73 168.777 2.434 5.740 1.00 0.00 C ATOM 0 H ALA A 73 167.439 4.428 5.142 1.00 0.00 H new ATOM 0 HA ALA A 73 169.487 3.944 7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.567 1.728 5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 73 167.896 2.227 6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.523 2.330 4.685 1.00 0.00 H new ATOM 1156 N ILE A 74 170.355 4.454 3.930 1.00 0.00 N ATOM 1157 CA ILE A 74 171.494 4.771 3.068 1.00 0.00 C ATOM 1158 C ILE A 74 172.184 6.040 3.554 1.00 0.00 C ATOM 1159 O ILE A 74 173.401 6.183 3.439 1.00 0.00 O ATOM 1160 CB ILE A 74 171.106 4.971 1.576 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.730 4.378 1.249 1.00 0.00 C ATOM 1162 CG2 ILE A 74 172.169 4.363 0.672 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.678 2.868 1.309 1.00 0.00 C ATOM 0 H ILE A 74 169.448 4.491 3.465 1.00 0.00 H new ATOM 0 HA ILE A 74 172.159 3.910 3.128 1.00 0.00 H new ATOM 0 HB ILE A 74 171.046 6.045 1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 74 168.997 4.784 1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.435 4.702 0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 74 171.887 4.509 -0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 74 173.127 4.848 0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 74 172.255 3.296 0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.671 2.529 1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 74 170.385 2.451 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 74 169.940 2.535 2.313 1.00 0.00 H new ATOM 1175 N ASN A 75 171.392 6.962 4.092 1.00 0.00 N ATOM 1176 CA ASN A 75 171.916 8.226 4.594 1.00 0.00 C ATOM 1177 C ASN A 75 172.786 8.006 5.828 1.00 0.00 C ATOM 1178 O ASN A 75 173.988 8.257 5.805 1.00 0.00 O ATOM 1179 CB ASN A 75 170.767 9.178 4.928 1.00 0.00 C ATOM 1180 CG ASN A 75 170.172 9.820 3.690 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.783 10.694 3.076 1.00 0.00 O ATOM 1182 ND2 ASN A 75 168.973 9.387 3.317 1.00 0.00 N ATOM 0 H ASN A 75 170.382 6.856 4.191 1.00 0.00 H new ATOM 0 HA ASN A 75 172.534 8.670 3.814 1.00 0.00 H new ATOM 0 HB2 ASN A 75 169.989 8.631 5.461 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.127 9.956 5.601 1.00 0.00 H new ATOM 0 HD21 ASN A 75 168.523 9.781 2.491 1.00 0.00 H new ATOM 0 HD22 ASN A 75 168.503 8.660 3.856 1.00 0.00 H new ATOM 1189 N GLU A 76 172.174 7.537 6.909 1.00 0.00 N ATOM 1190 CA GLU A 76 172.902 7.290 8.148 1.00 0.00 C ATOM 1191 C GLU A 76 174.167 6.473 7.889 1.00 0.00 C ATOM 1192 O GLU A 76 175.158 6.599 8.609 1.00 0.00 O ATOM 1193 CB GLU A 76 172.005 6.567 9.153 1.00 0.00 C ATOM 1194 CG GLU A 76 170.840 7.411 9.647 1.00 0.00 C ATOM 1195 CD GLU A 76 171.273 8.787 10.118 1.00 0.00 C ATOM 1196 OE1 GLU A 76 171.628 8.922 11.308 1.00 0.00 O ATOM 1197 OE2 GLU A 76 171.253 9.727 9.297 1.00 0.00 O ATOM 0 H GLU A 76 171.178 7.321 6.953 1.00 0.00 H new ATOM 0 HA GLU A 76 173.199 8.253 8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.615 5.659 8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.607 6.258 10.008 1.00 0.00 H new ATOM 0 HG2 GLU A 76 170.109 7.519 8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 76 170.341 6.891 10.465 1.00 0.00 H new ATOM 1204 N LEU A 77 174.129 5.641 6.852 1.00 0.00 N ATOM 1205 CA LEU A 77 175.276 4.810 6.502 1.00 0.00 C ATOM 1206 C LEU A 77 176.420 5.663 5.953 1.00 0.00 C ATOM 1207 O LEU A 77 177.579 5.466 6.320 1.00 0.00 O ATOM 1208 CB LEU A 77 174.861 3.723 5.495 1.00 0.00 C ATOM 1209 CG LEU A 77 175.327 3.923 4.047 1.00 0.00 C ATOM 1210 CD1 LEU A 77 176.809 3.609 3.916 1.00 0.00 C ATOM 1211 CD2 LEU A 77 174.513 3.054 3.099 1.00 0.00 C ATOM 0 H LEU A 77 173.320 5.525 6.242 1.00 0.00 H new ATOM 0 HA LEU A 77 175.635 4.318 7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 77 175.244 2.766 5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 77 173.773 3.652 5.497 1.00 0.00 H new ATOM 0 HG LEU A 77 175.170 4.967 3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 77 177.122 3.756 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 77 177.380 4.272 4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 77 176.989 2.574 4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 77 174.858 3.209 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 77 174.638 2.005 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 77 173.460 3.324 3.172 1.00 0.00 H new ATOM 1223 N ILE A 78 176.094 6.610 5.077 1.00 0.00 N ATOM 1224 CA ILE A 78 177.108 7.482 4.494 1.00 0.00 C ATOM 1225 C ILE A 78 177.768 8.340 5.567 1.00 0.00 C ATOM 1226 O ILE A 78 178.924 8.739 5.433 1.00 0.00 O ATOM 1227 CB ILE A 78 176.527 8.390 3.386 1.00 0.00 C ATOM 1228 CG1 ILE A 78 177.653 9.133 2.664 1.00 0.00 C ATOM 1229 CG2 ILE A 78 175.517 9.378 3.955 1.00 0.00 C ATOM 1230 CD1 ILE A 78 177.302 9.533 1.249 1.00 0.00 C ATOM 0 H ILE A 78 175.143 6.792 4.757 1.00 0.00 H new ATOM 0 HA ILE A 78 177.857 6.833 4.040 1.00 0.00 H new ATOM 0 HB ILE A 78 176.007 7.756 2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 78 177.911 10.027 3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 78 178.541 8.501 2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.126 10.002 3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 78 174.697 8.832 4.422 1.00 0.00 H new ATOM 0 HG23 ILE A 78 176.004 10.008 4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 78 178.146 10.055 0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 78 177.073 8.642 0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 78 176.433 10.191 1.262 1.00 0.00 H new ATOM 1242 N ASN A 79 177.029 8.608 6.641 1.00 0.00 N ATOM 1243 CA ASN A 79 177.547 9.404 7.744 1.00 0.00 C ATOM 1244 C ASN A 79 178.632 8.632 8.484 1.00 0.00 C ATOM 1245 O ASN A 79 179.722 9.151 8.735 1.00 0.00 O ATOM 1246 CB ASN A 79 176.418 9.780 8.706 1.00 0.00 C ATOM 1247 CG ASN A 79 175.233 10.402 7.992 1.00 0.00 C ATOM 1248 OD1 ASN A 79 175.321 10.763 6.819 1.00 0.00 O ATOM 1249 ND2 ASN A 79 174.115 10.531 8.699 1.00 0.00 N ATOM 0 H ASN A 79 176.070 8.284 6.768 1.00 0.00 H new ATOM 0 HA ASN A 79 177.979 10.319 7.340 1.00 0.00 H new ATOM 0 HB2 ASN A 79 176.089 8.890 9.242 1.00 0.00 H new ATOM 0 HB3 ASN A 79 176.797 10.479 9.452 1.00 0.00 H new ATOM 0 HD21 ASN A 79 173.286 10.943 8.271 1.00 0.00 H new ATOM 0 HD22 ASN A 79 174.086 10.218 9.669 1.00 0.00 H new ATOM 1256 N LYS A 80 178.327 7.382 8.823 1.00 0.00 N ATOM 1257 CA LYS A 80 179.279 6.530 9.525 1.00 0.00 C ATOM 1258 C LYS A 80 180.551 6.360 8.700 1.00 0.00 C ATOM 1259 O LYS A 80 181.644 6.213 9.246 1.00 0.00 O ATOM 1260 CB LYS A 80 178.656 5.164 9.817 1.00 0.00 C ATOM 1261 CG LYS A 80 177.486 5.225 10.786 1.00 0.00 C ATOM 1262 CD LYS A 80 177.957 5.271 12.229 1.00 0.00 C ATOM 1263 CE LYS A 80 177.086 6.188 13.071 1.00 0.00 C ATOM 1264 NZ LYS A 80 176.979 7.551 12.482 1.00 0.00 N ATOM 0 H LYS A 80 177.430 6.939 8.623 1.00 0.00 H new ATOM 0 HA LYS A 80 179.537 7.008 10.470 1.00 0.00 H new ATOM 0 HB2 LYS A 80 178.319 4.720 8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 80 179.422 4.504 10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 80 176.881 6.106 10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 80 176.846 4.355 10.639 1.00 0.00 H new ATOM 0 HD2 LYS A 80 177.942 4.266 12.650 1.00 0.00 H new ATOM 0 HD3 LYS A 80 178.990 5.616 12.265 1.00 0.00 H new ATOM 0 HE2 LYS A 80 176.090 5.755 13.167 1.00 0.00 H new ATOM 0 HE3 LYS A 80 177.500 6.259 14.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 176.899 8.254 13.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 177.827 7.751 11.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 176.136 7.602 11.875 1.00 0.00 H new ATOM 1278 N LEU A 81 180.399 6.386 7.379 1.00 0.00 N ATOM 1279 CA LEU A 81 181.535 6.244 6.477 1.00 0.00 C ATOM 1280 C LEU A 81 182.459 7.452 6.581 1.00 0.00 C ATOM 1281 O LEU A 81 183.671 7.307 6.709 1.00 0.00 O ATOM 1282 CB LEU A 81 181.054 6.088 5.034 1.00 0.00 C ATOM 1283 CG LEU A 81 180.746 4.654 4.603 1.00 0.00 C ATOM 1284 CD1 LEU A 81 180.171 4.632 3.192 1.00 0.00 C ATOM 1285 CD2 LEU A 81 181.997 3.789 4.686 1.00 0.00 C ATOM 0 H LEU A 81 179.501 6.504 6.911 1.00 0.00 H new ATOM 0 HA LEU A 81 182.088 5.351 6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 81 180.156 6.692 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 81 181.815 6.495 4.368 1.00 0.00 H new ATOM 0 HG LEU A 81 180.001 4.243 5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 81 179.958 3.603 2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 81 179.250 5.215 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 81 180.893 5.062 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 81 181.757 2.772 4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 81 182.766 4.197 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 81 182.364 3.778 5.712 1.00 0.00 H new ATOM 1297 N GLU A 82 181.874 8.645 6.519 1.00 0.00 N ATOM 1298 CA GLU A 82 182.642 9.886 6.601 1.00 0.00 C ATOM 1299 C GLU A 82 183.535 9.904 7.838 1.00 0.00 C ATOM 1300 O GLU A 82 184.760 9.961 7.730 1.00 0.00 O ATOM 1301 CB GLU A 82 181.701 11.091 6.623 1.00 0.00 C ATOM 1302 CG GLU A 82 182.419 12.425 6.473 1.00 0.00 C ATOM 1303 CD GLU A 82 182.215 13.339 7.667 1.00 0.00 C ATOM 1304 OE1 GLU A 82 181.175 13.205 8.346 1.00 0.00 O ATOM 1305 OE2 GLU A 82 183.096 14.185 7.923 1.00 0.00 O ATOM 0 H GLU A 82 180.869 8.780 6.412 1.00 0.00 H new ATOM 0 HA GLU A 82 183.279 9.942 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.972 10.987 5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 82 181.144 11.090 7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 82 183.485 12.245 6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 82 182.062 12.925 5.573 1.00 0.00 H new ATOM 1312 N ARG A 83 182.914 9.856 9.014 1.00 0.00 N ATOM 1313 CA ARG A 83 183.658 9.870 10.272 1.00 0.00 C ATOM 1314 C ARG A 83 184.729 8.782 10.290 1.00 0.00 C ATOM 1315 O ARG A 83 185.831 8.990 10.799 1.00 0.00 O ATOM 1316 CB ARG A 83 182.712 9.691 11.465 1.00 0.00 C ATOM 1317 CG ARG A 83 181.538 8.764 11.189 1.00 0.00 C ATOM 1318 CD ARG A 83 181.151 7.958 12.421 1.00 0.00 C ATOM 1319 NE ARG A 83 181.202 8.760 13.644 1.00 0.00 N ATOM 1320 CZ ARG A 83 182.228 8.762 14.494 1.00 0.00 C ATOM 1321 NH1 ARG A 83 183.304 8.021 14.257 1.00 0.00 N ATOM 1322 NH2 ARG A 83 182.181 9.516 15.583 1.00 0.00 N ATOM 0 H ARG A 83 181.901 9.807 9.123 1.00 0.00 H new ATOM 0 HA ARG A 83 184.149 10.840 10.354 1.00 0.00 H new ATOM 0 HB2 ARG A 83 183.279 9.301 12.310 1.00 0.00 H new ATOM 0 HB3 ARG A 83 182.329 10.667 11.762 1.00 0.00 H new ATOM 0 HG2 ARG A 83 180.682 9.351 10.855 1.00 0.00 H new ATOM 0 HG3 ARG A 83 181.795 8.085 10.376 1.00 0.00 H new ATOM 0 HD2 ARG A 83 180.145 7.560 12.291 1.00 0.00 H new ATOM 0 HD3 ARG A 83 181.821 7.104 12.520 1.00 0.00 H new ATOM 0 HE ARG A 83 180.402 9.355 13.859 1.00 0.00 H new ATOM 0 HH11 ARG A 83 183.351 7.443 13.418 1.00 0.00 H new ATOM 0 HH12 ARG A 83 184.084 8.030 14.914 1.00 0.00 H new ATOM 0 HH21 ARG A 83 181.361 10.093 15.769 1.00 0.00 H new ATOM 0 HH22 ARG A 83 182.965 9.519 16.235 1.00 0.00 H new ATOM 1336 N GLN A 84 184.398 7.623 9.730 1.00 0.00 N ATOM 1337 CA GLN A 84 185.332 6.504 9.681 1.00 0.00 C ATOM 1338 C GLN A 84 186.423 6.749 8.642 1.00 0.00 C ATOM 1339 O GLN A 84 187.576 6.363 8.835 1.00 0.00 O ATOM 1340 CB GLN A 84 184.590 5.207 9.359 1.00 0.00 C ATOM 1341 CG GLN A 84 183.811 4.644 10.536 1.00 0.00 C ATOM 1342 CD GLN A 84 182.971 3.440 10.157 1.00 0.00 C ATOM 1343 OE1 GLN A 84 183.044 2.391 10.797 1.00 0.00 O ATOM 1344 NE2 GLN A 84 182.166 3.585 9.112 1.00 0.00 N ATOM 0 H GLN A 84 183.491 7.434 9.304 1.00 0.00 H new ATOM 0 HA GLN A 84 185.801 6.413 10.661 1.00 0.00 H new ATOM 0 HB2 GLN A 84 183.903 5.387 8.532 1.00 0.00 H new ATOM 0 HB3 GLN A 84 185.309 4.461 9.020 1.00 0.00 H new ATOM 0 HG2 GLN A 84 184.507 4.363 11.326 1.00 0.00 H new ATOM 0 HG3 GLN A 84 183.163 5.421 10.943 1.00 0.00 H new ATOM 0 HE21 GLN A 84 182.137 4.472 8.610 1.00 0.00 H new ATOM 0 HE22 GLN A 84 181.576 2.809 8.811 1.00 0.00 H new ATOM 1353 N LEU A 85 186.050 7.393 7.539 1.00 0.00 N ATOM 1354 CA LEU A 85 186.996 7.687 6.470 1.00 0.00 C ATOM 1355 C LEU A 85 188.064 8.664 6.948 1.00 0.00 C ATOM 1356 O LEU A 85 189.254 8.452 6.732 1.00 0.00 O ATOM 1357 CB LEU A 85 186.267 8.263 5.252 1.00 0.00 C ATOM 1358 CG LEU A 85 186.722 7.705 3.902 1.00 0.00 C ATOM 1359 CD1 LEU A 85 185.665 7.957 2.838 1.00 0.00 C ATOM 1360 CD2 LEU A 85 188.054 8.320 3.494 1.00 0.00 C ATOM 0 H LEU A 85 185.100 7.720 7.364 1.00 0.00 H new ATOM 0 HA LEU A 85 187.481 6.755 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.199 8.075 5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 85 186.402 9.345 5.245 1.00 0.00 H new ATOM 0 HG LEU A 85 186.858 6.628 4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 85 186.005 7.554 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 85 184.734 7.469 3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 85 185.497 9.029 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 85 188.363 7.912 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 85 187.946 9.401 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.808 8.087 4.246 1.00 0.00 H new ATOM 1372 N ASN A 86 187.628 9.736 7.602 1.00 0.00 N ATOM 1373 CA ASN A 86 188.548 10.743 8.115 1.00 0.00 C ATOM 1374 C ASN A 86 189.502 10.130 9.134 1.00 0.00 C ATOM 1375 O ASN A 86 190.705 10.388 9.109 1.00 0.00 O ATOM 1376 CB ASN A 86 187.774 11.898 8.750 1.00 0.00 C ATOM 1377 CG ASN A 86 186.907 12.635 7.748 1.00 0.00 C ATOM 1378 OD1 ASN A 86 187.401 13.162 6.752 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.606 12.676 8.008 1.00 0.00 N ATOM 0 H ASN A 86 186.644 9.929 7.789 1.00 0.00 H new ATOM 0 HA ASN A 86 189.132 11.128 7.280 1.00 0.00 H new ATOM 0 HB2 ASN A 86 187.147 11.513 9.554 1.00 0.00 H new ATOM 0 HB3 ASN A 86 188.477 12.598 9.202 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.973 13.158 7.370 1.00 0.00 H new ATOM 0 HD22 ASN A 86 185.239 12.225 8.846 1.00 0.00 H new ATOM 1386 N LYS A 87 188.954 9.313 10.030 1.00 0.00 N ATOM 1387 CA LYS A 87 189.753 8.660 11.060 1.00 0.00 C ATOM 1388 C LYS A 87 190.663 7.597 10.450 1.00 0.00 C ATOM 1389 O LYS A 87 191.855 7.536 10.753 1.00 0.00 O ATOM 1390 CB LYS A 87 188.834 8.029 12.114 1.00 0.00 C ATOM 1391 CG LYS A 87 189.547 7.083 13.070 1.00 0.00 C ATOM 1392 CD LYS A 87 189.538 5.654 12.548 1.00 0.00 C ATOM 1393 CE LYS A 87 188.590 4.773 13.346 1.00 0.00 C ATOM 1394 NZ LYS A 87 187.164 5.045 13.014 1.00 0.00 N ATOM 0 H LYS A 87 187.960 9.088 10.062 1.00 0.00 H new ATOM 0 HA LYS A 87 190.381 9.412 11.538 1.00 0.00 H new ATOM 0 HB2 LYS A 87 188.361 8.823 12.691 1.00 0.00 H new ATOM 0 HB3 LYS A 87 188.037 7.485 11.607 1.00 0.00 H new ATOM 0 HG2 LYS A 87 190.576 7.414 13.211 1.00 0.00 H new ATOM 0 HG3 LYS A 87 189.064 7.118 14.047 1.00 0.00 H new ATOM 0 HD2 LYS A 87 189.242 5.651 11.499 1.00 0.00 H new ATOM 0 HD3 LYS A 87 190.546 5.242 12.596 1.00 0.00 H new ATOM 0 HE2 LYS A 87 188.815 3.725 13.147 1.00 0.00 H new ATOM 0 HE3 LYS A 87 188.752 4.938 14.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 186.551 4.424 13.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 186.941 6.038 13.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 187.002 4.863 12.003 1.00 0.00 H new ATOM 1408 N LEU A 88 190.093 6.756 9.594 1.00 0.00 N ATOM 1409 CA LEU A 88 190.849 5.691 8.946 1.00 0.00 C ATOM 1410 C LEU A 88 191.872 6.261 7.968 1.00 0.00 C ATOM 1411 O LEU A 88 192.980 5.740 7.839 1.00 0.00 O ATOM 1412 CB LEU A 88 189.895 4.739 8.216 1.00 0.00 C ATOM 1413 CG LEU A 88 190.484 3.382 7.809 1.00 0.00 C ATOM 1414 CD1 LEU A 88 191.220 3.495 6.482 1.00 0.00 C ATOM 1415 CD2 LEU A 88 191.409 2.841 8.890 1.00 0.00 C ATOM 0 H LEU A 88 189.108 6.792 9.332 1.00 0.00 H new ATOM 0 HA LEU A 88 191.387 5.138 9.716 1.00 0.00 H new ATOM 0 HB2 LEU A 88 189.031 4.561 8.856 1.00 0.00 H new ATOM 0 HB3 LEU A 88 189.530 5.239 7.319 1.00 0.00 H new ATOM 0 HG LEU A 88 189.660 2.679 7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 88 191.631 2.523 6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 88 190.527 3.825 5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 88 192.030 4.218 6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 88 191.812 1.878 8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 88 192.228 3.542 9.053 1.00 0.00 H new ATOM 0 HD23 LEU A 88 190.850 2.715 9.817 1.00 0.00 H new