USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 899 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 98 GLN : amide:sc= -2.08! C(o=-0.88!,f=-4.9!) USER MOD Set 1.2: A 101 LYS NZ :NH3+ -127:sc= 1.2 (180deg=-0.199) USER MOD Set 2.1: A 54 GLN : amide:sc= -3.26! K(o=-2.9!,f=-0.076) USER MOD Set 2.2: A 55 ASN : amide:sc= 0.345 K(o=-2.9,f=-0.62) USER MOD Set 3.1: A 29 SER OG : rot 124:sc= -0.103 USER MOD Set 3.2: A 33 SER OG : rot -129:sc= -0.0226 USER MOD Set 4.1: A 22 LYS NZ :NH3+ -120:sc= 0.977 (180deg=0) USER MOD Set 4.2: A 24 SER OG : rot -119:sc= 0.796 USER MOD Set 5.1: A 11 GLN : amide:sc= -0.038 X(o=-0.31,f=0.014) USER MOD Set 5.2: A 20 TYR OH : rot 180:sc= -0.269 USER MOD Single : A 1 MET CE :methyl 138:sc= -0.135 (180deg=-0.639) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0627 (180deg=-0.483) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 11:sc= 0.927 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -4.62! K(o=-4.6!,f=-0.076) USER MOD Single : A 15 ASN : amide:sc= -9.97! C(o=-10!,f=-13!) USER MOD Single : A 21 MET CE :methyl 154:sc= -0.585 (180deg=-2.91) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot -54:sc= -3.6! USER MOD Single : A 35 GLN : amide:sc= -4.08 K(o=-4.1,f=-1.6) USER MOD Single : A 38 GLN : amide:sc= -3.93! K(o=-3.9!,f=-1) USER MOD Single : A 43 CYS SG : rot -24:sc= -3.38 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -64:sc= -1.54! USER MOD Single : A 67 ASN : amide:sc= 0.723 K(o=0.72,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -6.26! C(o=-6.3!,f=-6.6!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0.0918 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 97 GLN : amide:sc= -0.593 K(o=-0.59,f=-1.3) USER MOD Single : A 103 THR OG1 : rot 4:sc= -0.445 USER MOD Single : A 106 LYS NZ :NH3+ 162:sc= 1.22 (180deg=0.824) USER MOD Single : A 107 TYR OH : rot 30:sc= -0.284 USER MOD Single : A 108 LYS NZ :NH3+ -173:sc= 1.37 (180deg=1.06) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.287 7.473 -6.657 1.00 0.00 N ATOM 2 CA MET A 1 19.987 7.872 -6.076 1.00 0.00 C ATOM 3 C MET A 1 20.167 8.196 -4.602 1.00 0.00 C ATOM 4 O MET A 1 20.862 7.477 -3.889 1.00 0.00 O ATOM 5 CB MET A 1 18.993 6.722 -6.254 1.00 0.00 C ATOM 6 CG MET A 1 18.796 6.313 -7.704 1.00 0.00 C ATOM 7 SD MET A 1 17.599 4.982 -7.902 1.00 0.00 S ATOM 8 CE MET A 1 16.110 5.774 -7.294 1.00 0.00 C ATOM 0 H1 MET A 1 21.236 7.531 -7.694 1.00 0.00 H new ATOM 0 H2 MET A 1 22.032 8.111 -6.311 1.00 0.00 H new ATOM 0 H3 MET A 1 21.508 6.497 -6.375 1.00 0.00 H new ATOM 0 HA MET A 1 19.605 8.759 -6.582 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.341 5.860 -5.685 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.031 7.015 -5.833 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.467 7.179 -8.279 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.753 5.999 -8.121 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.271 5.517 -7.941 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.904 5.432 -6.280 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.248 6.855 -7.291 1.00 0.00 H new ATOM 20 N SER A 2 19.632 9.333 -4.176 1.00 0.00 N ATOM 21 CA SER A 2 19.833 9.808 -2.815 1.00 0.00 C ATOM 22 C SER A 2 19.166 8.894 -1.790 1.00 0.00 C ATOM 23 O SER A 2 19.761 8.603 -0.752 1.00 0.00 O ATOM 24 CB SER A 2 19.307 11.237 -2.682 1.00 0.00 C ATOM 25 OG SER A 2 19.971 12.097 -3.594 1.00 0.00 O ATOM 0 H SER A 2 19.055 9.943 -4.755 1.00 0.00 H new ATOM 0 HA SER A 2 20.903 9.797 -2.609 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.234 11.255 -2.871 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.457 11.593 -1.663 1.00 0.00 H new ATOM 0 HG SER A 2 19.622 13.008 -3.498 1.00 0.00 H new ATOM 31 N THR A 3 17.929 8.474 -2.092 1.00 0.00 N ATOM 32 CA THR A 3 17.109 7.612 -1.222 1.00 0.00 C ATOM 33 C THR A 3 16.914 8.210 0.177 1.00 0.00 C ATOM 34 O THR A 3 17.865 8.358 0.942 1.00 0.00 O ATOM 35 CB THR A 3 17.674 6.169 -1.111 1.00 0.00 C ATOM 36 OG1 THR A 3 19.015 6.174 -0.608 1.00 0.00 O ATOM 37 CG2 THR A 3 17.643 5.474 -2.467 1.00 0.00 C ATOM 0 H THR A 3 17.460 8.727 -2.962 1.00 0.00 H new ATOM 0 HA THR A 3 16.134 7.556 -1.706 1.00 0.00 H new ATOM 0 HB THR A 3 17.041 5.623 -0.412 1.00 0.00 H new ATOM 0 HG1 THR A 3 19.236 7.069 -0.276 1.00 0.00 H new ATOM 0 HG21 THR A 3 18.043 4.465 -2.368 1.00 0.00 H new ATOM 0 HG22 THR A 3 16.615 5.423 -2.827 1.00 0.00 H new ATOM 0 HG23 THR A 3 18.249 6.036 -3.178 1.00 0.00 H new ATOM 45 N THR A 4 15.663 8.539 0.496 1.00 0.00 N ATOM 46 CA THR A 4 15.299 9.127 1.784 1.00 0.00 C ATOM 47 C THR A 4 13.799 9.011 2.032 1.00 0.00 C ATOM 48 O THR A 4 12.994 9.224 1.124 1.00 0.00 O ATOM 49 CB THR A 4 15.673 10.629 1.891 1.00 0.00 C ATOM 50 OG1 THR A 4 15.296 11.323 0.694 1.00 0.00 O ATOM 51 CG2 THR A 4 17.150 10.845 2.187 1.00 0.00 C ATOM 0 H THR A 4 14.871 8.405 -0.133 1.00 0.00 H new ATOM 0 HA THR A 4 15.865 8.566 2.528 1.00 0.00 H new ATOM 0 HB THR A 4 15.117 11.037 2.736 1.00 0.00 H new ATOM 0 HG1 THR A 4 15.536 12.270 0.775 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.356 11.913 2.251 1.00 0.00 H new ATOM 0 HG22 THR A 4 17.405 10.369 3.134 1.00 0.00 H new ATOM 0 HG23 THR A 4 17.749 10.408 1.388 1.00 0.00 H new ATOM 59 N ILE A 5 13.435 8.793 3.291 1.00 0.00 N ATOM 60 CA ILE A 5 12.036 8.796 3.706 1.00 0.00 C ATOM 61 C ILE A 5 11.341 10.100 3.303 1.00 0.00 C ATOM 62 O ILE A 5 10.150 10.100 2.994 1.00 0.00 O ATOM 63 CB ILE A 5 11.899 8.569 5.233 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.109 7.098 5.587 1.00 0.00 C ATOM 65 CG2 ILE A 5 10.535 9.013 5.724 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.239 6.843 7.074 1.00 0.00 C ATOM 0 H ILE A 5 14.095 8.611 4.047 1.00 0.00 H new ATOM 0 HA ILE A 5 11.546 7.969 3.191 1.00 0.00 H new ATOM 0 HB ILE A 5 12.668 9.166 5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.272 6.517 5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.007 6.737 5.085 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.462 8.844 6.798 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.400 10.074 5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.760 8.441 5.213 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.386 5.777 7.249 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.093 7.396 7.465 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.332 7.172 7.580 1.00 0.00 H new ATOM 78 N GLU A 6 12.081 11.207 3.326 1.00 0.00 N ATOM 79 CA GLU A 6 11.517 12.512 2.987 1.00 0.00 C ATOM 80 C GLU A 6 10.828 12.500 1.624 1.00 0.00 C ATOM 81 O GLU A 6 9.665 12.884 1.517 1.00 0.00 O ATOM 82 CB GLU A 6 12.594 13.595 3.001 1.00 0.00 C ATOM 83 CG GLU A 6 13.255 13.781 4.352 1.00 0.00 C ATOM 84 CD GLU A 6 14.246 14.924 4.347 1.00 0.00 C ATOM 85 OE1 GLU A 6 13.829 16.074 4.089 1.00 0.00 O ATOM 86 OE2 GLU A 6 15.444 14.683 4.595 1.00 0.00 O ATOM 0 H GLU A 6 13.070 11.227 3.575 1.00 0.00 H new ATOM 0 HA GLU A 6 10.769 12.736 3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.358 13.345 2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.150 14.541 2.691 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.491 13.967 5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.765 12.860 4.636 1.00 0.00 H new ATOM 93 N LYS A 7 11.514 12.018 0.591 1.00 0.00 N ATOM 94 CA LYS A 7 10.895 11.931 -0.728 1.00 0.00 C ATOM 95 C LYS A 7 9.785 10.892 -0.703 1.00 0.00 C ATOM 96 O LYS A 7 8.735 11.060 -1.321 1.00 0.00 O ATOM 97 CB LYS A 7 11.908 11.581 -1.822 1.00 0.00 C ATOM 98 CG LYS A 7 12.481 10.185 -1.712 1.00 0.00 C ATOM 99 CD LYS A 7 13.226 9.775 -2.975 1.00 0.00 C ATOM 100 CE LYS A 7 12.290 9.739 -4.176 1.00 0.00 C ATOM 101 NZ LYS A 7 12.978 9.282 -5.412 1.00 0.00 N ATOM 0 H LYS A 7 12.478 11.688 0.638 1.00 0.00 H new ATOM 0 HA LYS A 7 10.485 12.913 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.428 11.689 -2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.726 12.301 -1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.158 10.137 -0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.676 9.476 -1.520 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.039 10.475 -3.165 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.677 8.793 -2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.453 9.075 -3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.874 10.733 -4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.302 9.273 -6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.761 9.930 -5.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.353 8.323 -5.266 1.00 0.00 H new ATOM 115 N ILE A 8 10.061 9.798 -0.016 1.00 0.00 N ATOM 116 CA ILE A 8 9.134 8.682 0.072 1.00 0.00 C ATOM 117 C ILE A 8 7.781 9.107 0.642 1.00 0.00 C ATOM 118 O ILE A 8 6.745 8.800 0.062 1.00 0.00 O ATOM 119 CB ILE A 8 9.715 7.543 0.924 1.00 0.00 C ATOM 120 CG1 ILE A 8 10.970 6.972 0.255 1.00 0.00 C ATOM 121 CG2 ILE A 8 8.667 6.465 1.136 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.642 5.871 1.049 1.00 0.00 C ATOM 0 H ILE A 8 10.932 9.657 0.496 1.00 0.00 H new ATOM 0 HA ILE A 8 8.980 8.324 -0.946 1.00 0.00 H new ATOM 0 HB ILE A 8 10.001 7.934 1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.702 6.586 -0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.684 7.780 0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.088 5.662 1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.805 6.892 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.355 6.066 0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.522 5.519 0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.943 6.257 2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.945 5.044 1.186 1.00 0.00 H new ATOM 134 N GLN A 9 7.784 9.824 1.756 1.00 0.00 N ATOM 135 CA GLN A 9 6.533 10.286 2.344 1.00 0.00 C ATOM 136 C GLN A 9 5.782 11.211 1.404 1.00 0.00 C ATOM 137 O GLN A 9 4.581 11.043 1.215 1.00 0.00 O ATOM 138 CB GLN A 9 6.732 10.952 3.707 1.00 0.00 C ATOM 139 CG GLN A 9 7.102 9.976 4.809 1.00 0.00 C ATOM 140 CD GLN A 9 7.076 10.611 6.185 1.00 0.00 C ATOM 141 OE1 GLN A 9 6.067 11.177 6.601 1.00 0.00 O ATOM 142 NE2 GLN A 9 8.168 10.484 6.917 1.00 0.00 N ATOM 0 H GLN A 9 8.625 10.096 2.266 1.00 0.00 H new ATOM 0 HA GLN A 9 5.928 9.394 2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.514 11.707 3.623 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.816 11.472 3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.411 9.133 4.789 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.098 9.577 4.616 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.985 10.007 6.536 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.194 10.863 7.864 1.00 0.00 H new ATOM 151 N ARG A 10 6.495 12.100 0.722 1.00 0.00 N ATOM 152 CA ARG A 10 5.874 12.924 -0.295 1.00 0.00 C ATOM 153 C ARG A 10 5.226 12.048 -1.363 1.00 0.00 C ATOM 154 O ARG A 10 4.147 12.353 -1.872 1.00 0.00 O ATOM 155 CB ARG A 10 6.886 13.853 -0.942 1.00 0.00 C ATOM 156 CG ARG A 10 6.563 15.306 -0.688 1.00 0.00 C ATOM 157 CD ARG A 10 6.659 15.651 0.785 1.00 0.00 C ATOM 158 NE ARG A 10 8.008 15.434 1.280 1.00 0.00 N ATOM 159 CZ ARG A 10 8.419 15.750 2.505 1.00 0.00 C ATOM 160 NH1 ARG A 10 7.544 16.127 3.427 1.00 0.00 N ATOM 161 NH2 ARG A 10 9.705 15.643 2.818 1.00 0.00 N ATOM 0 H ARG A 10 7.493 12.264 0.856 1.00 0.00 H new ATOM 0 HA ARG A 10 5.109 13.530 0.189 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.881 13.630 -0.557 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.912 13.670 -2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.248 15.936 -1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.558 15.524 -1.048 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.374 16.692 0.938 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.956 15.041 1.352 1.00 0.00 H new ATOM 0 HE ARG A 10 8.685 15.011 0.645 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.551 16.176 3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.864 16.368 4.365 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.375 15.319 2.120 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.023 15.885 3.756 1.00 0.00 H new ATOM 175 N GLN A 11 5.894 10.941 -1.664 1.00 0.00 N ATOM 176 CA GLN A 11 5.409 9.976 -2.643 1.00 0.00 C ATOM 177 C GLN A 11 4.155 9.268 -2.142 1.00 0.00 C ATOM 178 O GLN A 11 3.183 9.130 -2.869 1.00 0.00 O ATOM 179 CB GLN A 11 6.508 8.955 -2.949 1.00 0.00 C ATOM 180 CG GLN A 11 6.089 7.852 -3.907 1.00 0.00 C ATOM 181 CD GLN A 11 7.206 6.862 -4.166 1.00 0.00 C ATOM 182 OE1 GLN A 11 8.261 7.218 -4.693 1.00 0.00 O ATOM 183 NE2 GLN A 11 6.996 5.617 -3.776 1.00 0.00 N ATOM 0 H GLN A 11 6.785 10.687 -1.237 1.00 0.00 H new ATOM 0 HA GLN A 11 5.149 10.511 -3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.367 9.478 -3.369 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.837 8.502 -2.014 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.227 7.325 -3.497 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.772 8.295 -4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.109 5.361 -3.343 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.721 4.912 -3.908 1.00 0.00 H new ATOM 192 N ILE A 12 4.189 8.803 -0.905 1.00 0.00 N ATOM 193 CA ILE A 12 3.057 8.089 -0.329 1.00 0.00 C ATOM 194 C ILE A 12 1.873 9.025 -0.142 1.00 0.00 C ATOM 195 O ILE A 12 0.721 8.654 -0.331 1.00 0.00 O ATOM 196 CB ILE A 12 3.415 7.451 1.031 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.666 6.578 0.912 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.247 6.633 1.553 1.00 0.00 C ATOM 199 CD1 ILE A 12 4.984 5.813 2.171 1.00 0.00 C ATOM 0 H ILE A 12 4.987 8.906 -0.278 1.00 0.00 H new ATOM 0 HA ILE A 12 2.793 7.295 -1.027 1.00 0.00 H new ATOM 0 HB ILE A 12 3.626 8.253 1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.531 5.873 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.517 7.209 0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.514 6.189 2.512 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.379 7.279 1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.009 5.843 0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.882 5.215 2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.150 6.513 2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.150 5.157 2.419 1.00 0.00 H new ATOM 211 N ALA A 13 2.170 10.233 0.268 1.00 0.00 N ATOM 212 CA ALA A 13 1.142 11.226 0.516 1.00 0.00 C ATOM 213 C ALA A 13 0.385 11.581 -0.764 1.00 0.00 C ATOM 214 O ALA A 13 -0.800 11.911 -0.717 1.00 0.00 O ATOM 215 CB ALA A 13 1.746 12.475 1.136 1.00 0.00 C ATOM 0 H ALA A 13 3.121 10.559 0.440 1.00 0.00 H new ATOM 0 HA ALA A 13 0.428 10.794 1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.960 13.209 1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.224 12.217 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.488 12.896 0.457 1.00 0.00 H new ATOM 221 N GLU A 14 1.100 11.644 -1.885 1.00 0.00 N ATOM 222 CA GLU A 14 0.499 12.108 -3.132 1.00 0.00 C ATOM 223 C GLU A 14 -0.512 11.110 -3.708 1.00 0.00 C ATOM 224 O GLU A 14 -1.542 11.528 -4.242 1.00 0.00 O ATOM 225 CB GLU A 14 1.557 12.458 -4.180 1.00 0.00 C ATOM 226 CG GLU A 14 2.389 11.286 -4.634 1.00 0.00 C ATOM 227 CD GLU A 14 3.354 11.654 -5.736 1.00 0.00 C ATOM 228 OE1 GLU A 14 4.199 12.544 -5.519 1.00 0.00 O ATOM 229 OE2 GLU A 14 3.272 11.056 -6.830 1.00 0.00 O ATOM 0 H GLU A 14 2.084 11.383 -1.956 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.046 13.017 -2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.062 12.896 -5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.218 13.222 -3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.946 10.890 -3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.730 10.490 -4.983 1.00 0.00 H new ATOM 236 N ASN A 15 -0.240 9.805 -3.619 1.00 0.00 N ATOM 237 CA ASN A 15 -1.169 8.819 -4.161 1.00 0.00 C ATOM 238 C ASN A 15 -2.364 8.615 -3.258 1.00 0.00 C ATOM 239 O ASN A 15 -2.241 8.509 -2.038 1.00 0.00 O ATOM 240 CB ASN A 15 -0.486 7.481 -4.443 1.00 0.00 C ATOM 241 CG ASN A 15 0.582 7.150 -3.449 1.00 0.00 C ATOM 242 OD1 ASN A 15 0.317 7.008 -2.269 1.00 0.00 O ATOM 243 ND2 ASN A 15 1.808 7.026 -3.933 1.00 0.00 N ATOM 0 H ASN A 15 0.598 9.416 -3.186 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.523 9.223 -5.109 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.235 6.689 -4.441 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.050 7.505 -5.442 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.583 6.802 -3.308 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.978 7.155 -4.930 1.00 0.00 H new ATOM 250 N PRO A 16 -3.553 8.572 -3.868 1.00 0.00 N ATOM 251 CA PRO A 16 -4.805 8.390 -3.145 1.00 0.00 C ATOM 252 C PRO A 16 -4.851 7.058 -2.439 1.00 0.00 C ATOM 253 O PRO A 16 -5.317 6.951 -1.307 1.00 0.00 O ATOM 254 CB PRO A 16 -5.865 8.417 -4.256 1.00 0.00 C ATOM 255 CG PRO A 16 -5.208 9.093 -5.404 1.00 0.00 C ATOM 256 CD PRO A 16 -3.766 8.708 -5.317 1.00 0.00 C ATOM 0 HA PRO A 16 -4.947 9.149 -2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.183 7.409 -4.522 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.756 8.958 -3.937 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.644 8.773 -6.350 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.330 10.175 -5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.563 7.776 -5.845 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.117 9.468 -5.752 1.00 0.00 H new ATOM 264 N ILE A 17 -4.389 6.041 -3.135 1.00 0.00 N ATOM 265 CA ILE A 17 -4.418 4.692 -2.619 1.00 0.00 C ATOM 266 C ILE A 17 -3.109 4.020 -2.997 1.00 0.00 C ATOM 267 O ILE A 17 -2.727 4.036 -4.165 1.00 0.00 O ATOM 268 CB ILE A 17 -5.586 3.892 -3.256 1.00 0.00 C ATOM 269 CG1 ILE A 17 -6.916 4.673 -3.214 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.752 2.550 -2.562 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.436 4.977 -1.821 1.00 0.00 C ATOM 0 H ILE A 17 -3.986 6.126 -4.068 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.556 4.717 -1.538 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.330 3.730 -4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.785 5.613 -3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.673 4.102 -3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.575 2.002 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.832 1.973 -2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.968 2.711 -1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.374 5.528 -1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.605 4.044 -1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.704 5.578 -1.282 1.00 0.00 H new ATOM 283 N LEU A 18 -2.354 3.581 -2.005 1.00 0.00 N ATOM 284 CA LEU A 18 -1.012 3.088 -2.249 1.00 0.00 C ATOM 285 C LEU A 18 -0.767 1.749 -1.566 1.00 0.00 C ATOM 286 O LEU A 18 -1.265 1.485 -0.478 1.00 0.00 O ATOM 287 CB LEU A 18 0.006 4.106 -1.757 1.00 0.00 C ATOM 288 CG LEU A 18 1.452 3.832 -2.154 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.576 3.751 -3.669 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.348 4.932 -1.607 1.00 0.00 C ATOM 0 H LEU A 18 -2.646 3.556 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.903 2.940 -3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.276 5.088 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.051 4.155 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 18 1.764 2.877 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.614 3.555 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.945 2.945 -4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.258 4.695 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.382 4.735 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.036 5.893 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.270 4.958 -0.520 1.00 0.00 H new ATOM 302 N LEU A 19 -0.024 0.904 -2.247 1.00 0.00 N ATOM 303 CA LEU A 19 0.288 -0.432 -1.777 1.00 0.00 C ATOM 304 C LEU A 19 1.753 -0.753 -2.024 1.00 0.00 C ATOM 305 O LEU A 19 2.206 -0.742 -3.152 1.00 0.00 O ATOM 306 CB LEU A 19 -0.596 -1.426 -2.529 1.00 0.00 C ATOM 307 CG LEU A 19 -0.101 -2.870 -2.549 1.00 0.00 C ATOM 308 CD1 LEU A 19 -0.014 -3.452 -1.144 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.007 -3.715 -3.419 1.00 0.00 C ATOM 0 H LEU A 19 0.386 1.126 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 19 0.102 -0.497 -0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.591 -1.409 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.702 -1.083 -3.558 1.00 0.00 H new ATOM 0 HG LEU A 19 0.905 -2.877 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.342 -4.481 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.679 -2.859 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.000 -3.433 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.647 -4.744 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.021 -3.689 -3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.006 -3.321 -4.435 1.00 0.00 H new ATOM 321 N TYR A 20 2.481 -1.110 -0.988 1.00 0.00 N ATOM 322 CA TYR A 20 3.868 -1.508 -1.168 1.00 0.00 C ATOM 323 C TYR A 20 4.020 -3.024 -1.197 1.00 0.00 C ATOM 324 O TYR A 20 3.731 -3.699 -0.209 1.00 0.00 O ATOM 325 CB TYR A 20 4.744 -0.912 -0.069 1.00 0.00 C ATOM 326 CG TYR A 20 5.106 0.537 -0.296 1.00 0.00 C ATOM 327 CD1 TYR A 20 4.138 1.514 -0.466 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.439 0.923 -0.355 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.492 2.827 -0.687 1.00 0.00 C ATOM 330 CE2 TYR A 20 6.797 2.234 -0.580 1.00 0.00 C ATOM 331 CZ TYR A 20 5.820 3.182 -0.745 1.00 0.00 C ATOM 332 OH TYR A 20 6.172 4.492 -0.980 1.00 0.00 O ATOM 0 H TYR A 20 2.146 -1.134 -0.025 1.00 0.00 H new ATOM 0 HA TYR A 20 4.196 -1.121 -2.133 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.225 -1.002 0.885 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.660 -1.498 0.010 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.093 1.243 -0.425 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.211 0.180 -0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.727 3.578 -0.815 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.839 2.513 -0.626 1.00 0.00 H new ATOM 0 HH TYR A 20 7.149 4.572 -0.989 1.00 0.00 H new ATOM 342 N MET A 21 4.537 -3.549 -2.309 1.00 0.00 N ATOM 343 CA MET A 21 4.799 -4.978 -2.434 1.00 0.00 C ATOM 344 C MET A 21 6.045 -5.266 -3.297 1.00 0.00 C ATOM 345 O MET A 21 6.866 -4.384 -3.521 1.00 0.00 O ATOM 346 CB MET A 21 3.560 -5.670 -2.988 1.00 0.00 C ATOM 347 CG MET A 21 2.978 -5.025 -4.234 1.00 0.00 C ATOM 348 SD MET A 21 1.428 -5.802 -4.734 1.00 0.00 S ATOM 349 CE MET A 21 1.030 -4.893 -6.220 1.00 0.00 C ATOM 0 H MET A 21 4.782 -3.003 -3.135 1.00 0.00 H new ATOM 0 HA MET A 21 5.018 -5.379 -1.444 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.810 -6.707 -3.215 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.794 -5.689 -2.213 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.809 -3.964 -4.048 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.698 -5.095 -5.049 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.411 -5.511 -6.870 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.486 -3.986 -5.957 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.950 -4.627 -6.741 1.00 0.00 H new ATOM 359 N LYS A 22 6.227 -6.519 -3.729 1.00 0.00 N ATOM 360 CA LYS A 22 7.426 -6.888 -4.494 1.00 0.00 C ATOM 361 C LYS A 22 7.113 -6.915 -5.974 1.00 0.00 C ATOM 362 O LYS A 22 6.216 -7.606 -6.394 1.00 0.00 O ATOM 363 CB LYS A 22 7.952 -8.257 -4.046 1.00 0.00 C ATOM 364 CG LYS A 22 9.311 -8.631 -4.634 1.00 0.00 C ATOM 365 CD LYS A 22 9.850 -9.906 -3.995 1.00 0.00 C ATOM 366 CE LYS A 22 11.284 -10.209 -4.409 1.00 0.00 C ATOM 367 NZ LYS A 22 11.418 -10.478 -5.862 1.00 0.00 N ATOM 0 H LYS A 22 5.572 -7.284 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 22 8.197 -6.140 -4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.024 -8.267 -2.958 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.226 -9.021 -4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.219 -8.770 -5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.016 -7.815 -4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.801 -9.813 -2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.211 -10.745 -4.272 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.921 -9.366 -4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.644 -11.072 -3.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.797 -11.436 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.485 -10.404 -6.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.065 -9.783 -6.285 1.00 0.00 H new ATOM 381 N GLY A 23 7.818 -6.122 -6.746 1.00 0.00 N ATOM 382 CA GLY A 23 7.513 -6.024 -8.165 1.00 0.00 C ATOM 383 C GLY A 23 8.371 -6.930 -9.028 1.00 0.00 C ATOM 384 O GLY A 23 9.177 -6.453 -9.823 1.00 0.00 O ATOM 0 H GLY A 23 8.595 -5.542 -6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.463 -6.272 -8.322 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.648 -4.992 -8.488 1.00 0.00 H new ATOM 388 N SER A 24 8.157 -8.233 -8.917 1.00 0.00 N ATOM 389 CA SER A 24 8.869 -9.192 -9.748 1.00 0.00 C ATOM 390 C SER A 24 8.248 -9.286 -11.140 1.00 0.00 C ATOM 391 O SER A 24 7.043 -9.115 -11.294 1.00 0.00 O ATOM 392 CB SER A 24 8.885 -10.558 -9.075 1.00 0.00 C ATOM 393 OG SER A 24 9.620 -10.502 -7.869 1.00 0.00 O ATOM 0 H SER A 24 7.497 -8.650 -8.260 1.00 0.00 H new ATOM 0 HA SER A 24 9.896 -8.845 -9.866 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.865 -10.883 -8.872 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.327 -11.296 -9.745 1.00 0.00 H new ATOM 0 HG SER A 24 10.382 -11.115 -7.922 1.00 0.00 H new ATOM 399 N PRO A 25 9.056 -9.565 -12.173 1.00 0.00 N ATOM 400 CA PRO A 25 8.553 -9.697 -13.546 1.00 0.00 C ATOM 401 C PRO A 25 7.482 -10.783 -13.638 1.00 0.00 C ATOM 402 O PRO A 25 6.443 -10.597 -14.270 1.00 0.00 O ATOM 403 CB PRO A 25 9.796 -10.090 -14.355 1.00 0.00 C ATOM 404 CG PRO A 25 10.954 -9.659 -13.522 1.00 0.00 C ATOM 405 CD PRO A 25 10.509 -9.794 -12.093 1.00 0.00 C ATOM 0 HA PRO A 25 8.082 -8.783 -13.908 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.822 -11.164 -14.541 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.805 -9.598 -15.328 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.828 -10.279 -13.719 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.236 -8.630 -13.748 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.740 -10.780 -11.690 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.997 -9.064 -11.448 1.00 0.00 H new ATOM 413 N LYS A 26 7.725 -11.895 -12.947 1.00 0.00 N ATOM 414 CA LYS A 26 6.770 -12.998 -12.886 1.00 0.00 C ATOM 415 C LYS A 26 5.495 -12.601 -12.136 1.00 0.00 C ATOM 416 O LYS A 26 4.419 -13.130 -12.404 1.00 0.00 O ATOM 417 CB LYS A 26 7.407 -14.235 -12.242 1.00 0.00 C ATOM 418 CG LYS A 26 7.948 -14.006 -10.839 1.00 0.00 C ATOM 419 CD LYS A 26 8.521 -15.287 -10.253 1.00 0.00 C ATOM 420 CE LYS A 26 9.094 -15.055 -8.865 1.00 0.00 C ATOM 421 NZ LYS A 26 9.604 -16.308 -8.249 1.00 0.00 N ATOM 0 H LYS A 26 8.582 -12.056 -12.418 1.00 0.00 H new ATOM 0 HA LYS A 26 6.490 -13.243 -13.911 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.666 -15.033 -12.206 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.220 -14.583 -12.879 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.721 -13.238 -10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.151 -13.634 -10.196 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.741 -16.047 -10.204 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.301 -15.672 -10.910 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.903 -14.327 -8.925 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.325 -14.624 -8.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.985 -16.100 -7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.828 -16.995 -8.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.357 -16.707 -8.846 1.00 0.00 H new ATOM 435 N LEU A 27 5.629 -11.707 -11.162 1.00 0.00 N ATOM 436 CA LEU A 27 4.497 -11.293 -10.343 1.00 0.00 C ATOM 437 C LEU A 27 4.797 -9.964 -9.665 1.00 0.00 C ATOM 438 O LEU A 27 5.768 -9.860 -8.915 1.00 0.00 O ATOM 439 CB LEU A 27 4.243 -12.334 -9.256 1.00 0.00 C ATOM 440 CG LEU A 27 3.008 -12.088 -8.380 1.00 0.00 C ATOM 441 CD1 LEU A 27 1.739 -12.114 -9.218 1.00 0.00 C ATOM 442 CD2 LEU A 27 2.936 -13.120 -7.267 1.00 0.00 C ATOM 0 H LEU A 27 6.511 -11.255 -10.921 1.00 0.00 H new ATOM 0 HA LEU A 27 3.624 -11.193 -10.987 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.142 -13.311 -9.729 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.120 -12.382 -8.611 1.00 0.00 H new ATOM 0 HG LEU A 27 3.096 -11.099 -7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.876 -11.937 -8.576 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.790 -11.336 -9.980 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.641 -13.087 -9.699 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.055 -12.933 -6.654 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.871 -14.118 -7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.830 -13.050 -6.648 1.00 0.00 H new ATOM 454 N PRO A 28 3.959 -8.938 -9.881 1.00 0.00 N ATOM 455 CA PRO A 28 4.137 -7.629 -9.257 1.00 0.00 C ATOM 456 C PRO A 28 3.771 -7.633 -7.774 1.00 0.00 C ATOM 457 O PRO A 28 3.463 -6.588 -7.205 1.00 0.00 O ATOM 458 CB PRO A 28 3.177 -6.716 -10.036 1.00 0.00 C ATOM 459 CG PRO A 28 2.627 -7.541 -11.149 1.00 0.00 C ATOM 460 CD PRO A 28 2.762 -8.967 -10.721 1.00 0.00 C ATOM 0 HA PRO A 28 5.178 -7.308 -9.296 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.378 -6.351 -9.391 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.700 -5.841 -10.422 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.584 -7.290 -11.340 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.174 -7.359 -12.074 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.887 -9.308 -10.168 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.881 -9.636 -11.573 1.00 0.00 H new ATOM 468 N SER A 29 3.941 -8.784 -7.129 1.00 0.00 N ATOM 469 CA SER A 29 3.767 -8.894 -5.687 1.00 0.00 C ATOM 470 C SER A 29 4.366 -10.205 -5.174 1.00 0.00 C ATOM 471 O SER A 29 3.691 -10.993 -4.511 1.00 0.00 O ATOM 472 CB SER A 29 2.298 -8.818 -5.337 1.00 0.00 C ATOM 473 OG SER A 29 2.116 -8.590 -3.957 1.00 0.00 O ATOM 0 H SER A 29 4.201 -9.658 -7.587 1.00 0.00 H new ATOM 0 HA SER A 29 4.289 -8.066 -5.208 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.826 -8.017 -5.906 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.804 -9.746 -5.624 1.00 0.00 H new ATOM 0 HG SER A 29 1.574 -7.784 -3.827 1.00 0.00 H new ATOM 479 N CYS A 30 5.588 -10.490 -5.597 1.00 0.00 N ATOM 480 CA CYS A 30 6.239 -11.769 -5.305 1.00 0.00 C ATOM 481 C CYS A 30 6.642 -11.899 -3.827 1.00 0.00 C ATOM 482 O CYS A 30 7.807 -12.131 -3.501 1.00 0.00 O ATOM 483 CB CYS A 30 7.462 -11.929 -6.188 1.00 0.00 C ATOM 484 SG CYS A 30 8.225 -13.566 -6.129 1.00 0.00 S ATOM 0 H CYS A 30 6.158 -9.849 -6.149 1.00 0.00 H new ATOM 0 HA CYS A 30 5.518 -12.559 -5.513 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.181 -11.711 -7.218 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.204 -11.186 -5.896 1.00 0.00 H new ATOM 0 HG CYS A 30 8.487 -13.878 -4.895 1.00 0.00 H new ATOM 490 N GLY A 31 5.676 -11.767 -2.948 1.00 0.00 N ATOM 491 CA GLY A 31 5.925 -11.891 -1.523 1.00 0.00 C ATOM 492 C GLY A 31 4.653 -12.189 -0.761 1.00 0.00 C ATOM 493 O GLY A 31 3.835 -12.986 -1.216 1.00 0.00 O ATOM 0 H GLY A 31 4.705 -11.573 -3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.650 -12.686 -1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.367 -10.968 -1.148 1.00 0.00 H new ATOM 497 N PHE A 32 4.444 -11.526 0.372 1.00 0.00 N ATOM 498 CA PHE A 32 3.210 -11.738 1.129 1.00 0.00 C ATOM 499 C PHE A 32 2.050 -11.020 0.484 1.00 0.00 C ATOM 500 O PHE A 32 0.933 -11.506 0.500 1.00 0.00 O ATOM 501 CB PHE A 32 3.303 -11.282 2.586 1.00 0.00 C ATOM 502 CG PHE A 32 4.198 -12.111 3.450 1.00 0.00 C ATOM 503 CD1 PHE A 32 5.570 -12.112 3.277 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.649 -12.866 4.468 1.00 0.00 C ATOM 505 CE1 PHE A 32 6.382 -12.866 4.105 1.00 0.00 C ATOM 506 CE2 PHE A 32 4.451 -13.618 5.302 1.00 0.00 C ATOM 507 CZ PHE A 32 5.820 -13.618 5.121 1.00 0.00 C ATOM 0 H PHE A 32 5.093 -10.853 0.780 1.00 0.00 H new ATOM 0 HA PHE A 32 3.051 -12.816 1.120 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.656 -10.251 2.607 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.302 -11.285 3.017 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.011 -11.519 2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.579 -12.868 4.613 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.452 -12.868 3.959 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.009 -14.205 6.094 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.451 -14.205 5.772 1.00 0.00 H new ATOM 517 N SER A 33 2.305 -9.827 -0.026 1.00 0.00 N ATOM 518 CA SER A 33 1.257 -8.996 -0.604 1.00 0.00 C ATOM 519 C SER A 33 0.484 -9.728 -1.706 1.00 0.00 C ATOM 520 O SER A 33 -0.574 -9.267 -2.116 1.00 0.00 O ATOM 521 CB SER A 33 1.836 -7.692 -1.132 1.00 0.00 C ATOM 522 OG SER A 33 0.821 -6.835 -1.620 1.00 0.00 O ATOM 0 H SER A 33 3.235 -9.408 -0.052 1.00 0.00 H new ATOM 0 HA SER A 33 0.549 -8.769 0.193 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.388 -7.189 -0.338 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.548 -7.905 -1.929 1.00 0.00 H new ATOM 0 HG SER A 33 1.055 -6.530 -2.521 1.00 0.00 H new ATOM 528 N ALA A 34 0.979 -10.890 -2.126 1.00 0.00 N ATOM 529 CA ALA A 34 0.290 -11.718 -3.105 1.00 0.00 C ATOM 530 C ALA A 34 -1.161 -11.957 -2.690 1.00 0.00 C ATOM 531 O ALA A 34 -2.064 -11.878 -3.516 1.00 0.00 O ATOM 532 CB ALA A 34 1.013 -13.045 -3.285 1.00 0.00 C ATOM 0 H ALA A 34 1.863 -11.280 -1.798 1.00 0.00 H new ATOM 0 HA ALA A 34 0.291 -11.188 -4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.484 -13.651 -4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.030 -12.861 -3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.044 -13.575 -2.333 1.00 0.00 H new ATOM 538 N GLN A 35 -1.402 -12.195 -1.400 1.00 0.00 N ATOM 539 CA GLN A 35 -2.772 -12.360 -0.936 1.00 0.00 C ATOM 540 C GLN A 35 -3.432 -10.982 -0.749 1.00 0.00 C ATOM 541 O GLN A 35 -4.634 -10.821 -0.955 1.00 0.00 O ATOM 542 CB GLN A 35 -2.871 -13.220 0.352 1.00 0.00 C ATOM 543 CG GLN A 35 -2.822 -12.474 1.678 1.00 0.00 C ATOM 544 CD GLN A 35 -1.454 -11.970 2.053 1.00 0.00 C ATOM 545 OE1 GLN A 35 -0.535 -12.751 2.295 1.00 0.00 O ATOM 546 NE2 GLN A 35 -1.306 -10.663 2.083 1.00 0.00 N ATOM 0 H GLN A 35 -0.686 -12.275 -0.678 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.316 -12.911 -1.703 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.803 -13.784 0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.058 -13.946 0.340 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.508 -11.628 1.632 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.182 -13.134 2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.098 -10.055 1.875 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.399 -10.258 2.314 1.00 0.00 H new ATOM 555 N ALA A 36 -2.635 -10.008 -0.301 1.00 0.00 N ATOM 556 CA ALA A 36 -3.115 -8.654 0.003 1.00 0.00 C ATOM 557 C ALA A 36 -3.632 -7.928 -1.231 1.00 0.00 C ATOM 558 O ALA A 36 -4.659 -7.249 -1.181 1.00 0.00 O ATOM 559 CB ALA A 36 -1.998 -7.843 0.643 1.00 0.00 C ATOM 0 H ALA A 36 -1.636 -10.135 -0.138 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.951 -8.756 0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.359 -6.839 0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.679 -8.328 1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.154 -7.780 -0.044 1.00 0.00 H new ATOM 565 N VAL A 37 -2.890 -8.046 -2.319 1.00 0.00 N ATOM 566 CA VAL A 37 -3.226 -7.381 -3.569 1.00 0.00 C ATOM 567 C VAL A 37 -4.630 -7.770 -4.015 1.00 0.00 C ATOM 568 O VAL A 37 -5.376 -6.951 -4.557 1.00 0.00 O ATOM 569 CB VAL A 37 -2.191 -7.722 -4.673 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.159 -9.209 -4.976 1.00 0.00 C ATOM 571 CG2 VAL A 37 -2.455 -6.934 -5.946 1.00 0.00 C ATOM 0 H VAL A 37 -2.038 -8.605 -2.362 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.199 -6.304 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.214 -7.434 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.422 -9.406 -5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.890 -9.758 -4.074 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.142 -9.532 -5.318 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.711 -7.198 -6.698 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.450 -7.172 -6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.393 -5.867 -5.733 1.00 0.00 H new ATOM 581 N GLN A 38 -4.982 -9.022 -3.763 1.00 0.00 N ATOM 582 CA GLN A 38 -6.289 -9.538 -4.117 1.00 0.00 C ATOM 583 C GLN A 38 -7.367 -8.843 -3.294 1.00 0.00 C ATOM 584 O GLN A 38 -8.399 -8.446 -3.824 1.00 0.00 O ATOM 585 CB GLN A 38 -6.348 -11.050 -3.880 1.00 0.00 C ATOM 586 CG GLN A 38 -5.098 -11.805 -4.329 1.00 0.00 C ATOM 587 CD GLN A 38 -4.727 -11.622 -5.800 1.00 0.00 C ATOM 588 OE1 GLN A 38 -3.693 -12.116 -6.247 1.00 0.00 O ATOM 589 NE2 GLN A 38 -5.569 -10.953 -6.575 1.00 0.00 N ATOM 0 H GLN A 38 -4.372 -9.702 -3.310 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.465 -9.341 -5.175 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.507 -11.234 -2.817 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.212 -11.455 -4.407 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.257 -11.483 -3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.245 -12.868 -4.136 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.420 -10.553 -6.178 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.366 -10.838 -7.568 1.00 0.00 H new ATOM 598 N ALA A 39 -7.102 -8.687 -1.996 1.00 0.00 N ATOM 599 CA ALA A 39 -8.034 -8.030 -1.079 1.00 0.00 C ATOM 600 C ALA A 39 -8.369 -6.618 -1.542 1.00 0.00 C ATOM 601 O ALA A 39 -9.526 -6.204 -1.509 1.00 0.00 O ATOM 602 CB ALA A 39 -7.449 -7.982 0.326 1.00 0.00 C ATOM 0 H ALA A 39 -6.242 -9.010 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.954 -8.615 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.154 -7.490 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.261 -8.997 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.513 -7.424 0.311 1.00 0.00 H new ATOM 608 N LEU A 40 -7.345 -5.875 -1.938 1.00 0.00 N ATOM 609 CA LEU A 40 -7.515 -4.491 -2.372 1.00 0.00 C ATOM 610 C LEU A 40 -8.404 -4.375 -3.597 1.00 0.00 C ATOM 611 O LEU A 40 -9.426 -3.689 -3.573 1.00 0.00 O ATOM 612 CB LEU A 40 -6.171 -3.900 -2.731 1.00 0.00 C ATOM 613 CG LEU A 40 -5.685 -2.769 -1.829 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.349 -2.234 -2.323 1.00 0.00 C ATOM 615 CD2 LEU A 40 -6.721 -1.656 -1.774 1.00 0.00 C ATOM 0 H LEU A 40 -6.381 -6.208 -1.968 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.981 -3.958 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.428 -4.697 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.219 -3.529 -3.755 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.546 -3.161 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.016 -1.428 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.611 -3.036 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.462 -1.854 -3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.361 -0.856 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.888 -1.264 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.657 -2.050 -1.378 1.00 0.00 H new ATOM 627 N ALA A 41 -7.978 -5.027 -4.670 1.00 0.00 N ATOM 628 CA ALA A 41 -8.692 -4.987 -5.935 1.00 0.00 C ATOM 629 C ALA A 41 -10.104 -5.502 -5.755 1.00 0.00 C ATOM 630 O ALA A 41 -11.029 -5.105 -6.465 1.00 0.00 O ATOM 631 CB ALA A 41 -7.956 -5.804 -6.985 1.00 0.00 C ATOM 0 H ALA A 41 -7.131 -5.596 -4.687 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.741 -3.953 -6.276 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.503 -5.764 -7.927 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.956 -5.395 -7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.880 -6.839 -6.653 1.00 0.00 H new ATOM 637 N ALA A 42 -10.246 -6.407 -4.804 1.00 0.00 N ATOM 638 CA ALA A 42 -11.537 -7.013 -4.516 1.00 0.00 C ATOM 639 C ALA A 42 -12.461 -6.038 -3.802 1.00 0.00 C ATOM 640 O ALA A 42 -13.656 -5.972 -4.094 1.00 0.00 O ATOM 641 CB ALA A 42 -11.368 -8.267 -3.673 1.00 0.00 C ATOM 0 H ALA A 42 -9.482 -6.740 -4.216 1.00 0.00 H new ATOM 0 HA ALA A 42 -11.989 -7.282 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.346 -8.703 -3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.754 -8.988 -4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.883 -8.010 -2.731 1.00 0.00 H new ATOM 647 N CYS A 43 -11.942 -5.410 -2.758 1.00 0.00 N ATOM 648 CA CYS A 43 -12.769 -4.595 -1.892 1.00 0.00 C ATOM 649 C CYS A 43 -13.126 -3.250 -2.531 1.00 0.00 C ATOM 650 O CYS A 43 -14.305 -2.907 -2.647 1.00 0.00 O ATOM 651 CB CYS A 43 -12.072 -4.392 -0.544 1.00 0.00 C ATOM 652 SG CYS A 43 -10.474 -3.555 -0.627 1.00 0.00 S ATOM 0 H CYS A 43 -10.958 -5.451 -2.494 1.00 0.00 H new ATOM 0 HA CYS A 43 -13.708 -5.126 -1.733 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -12.732 -3.818 0.106 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -11.931 -5.366 -0.075 1.00 0.00 H new ATOM 0 HG CYS A 43 -9.963 -3.711 -1.812 1.00 0.00 H new ATOM 658 N GLY A 44 -12.113 -2.479 -2.905 1.00 0.00 N ATOM 659 CA GLY A 44 -12.351 -1.171 -3.480 1.00 0.00 C ATOM 660 C GLY A 44 -12.197 -1.138 -4.985 1.00 0.00 C ATOM 661 O GLY A 44 -12.500 -2.110 -5.682 1.00 0.00 O ATOM 0 H GLY A 44 -11.130 -2.737 -2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.358 -0.845 -3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.659 -0.456 -3.036 1.00 0.00 H new ATOM 665 N GLU A 45 -11.638 -0.039 -5.466 1.00 0.00 N ATOM 666 CA GLU A 45 -11.319 0.134 -6.872 1.00 0.00 C ATOM 667 C GLU A 45 -9.845 -0.118 -7.137 1.00 0.00 C ATOM 668 O GLU A 45 -9.154 -0.803 -6.380 1.00 0.00 O ATOM 669 CB GLU A 45 -11.672 1.535 -7.386 1.00 0.00 C ATOM 670 CG GLU A 45 -13.153 1.837 -7.488 1.00 0.00 C ATOM 671 CD GLU A 45 -13.399 3.148 -8.211 1.00 0.00 C ATOM 672 OE1 GLU A 45 -12.407 3.836 -8.564 1.00 0.00 O ATOM 673 OE2 GLU A 45 -14.572 3.490 -8.453 1.00 0.00 O ATOM 0 H GLU A 45 -11.392 0.763 -4.886 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.925 -0.598 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.213 2.272 -6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.223 1.666 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.656 1.027 -8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.587 1.883 -6.489 1.00 0.00 H new ATOM 680 N ARG A 46 -9.365 0.557 -8.168 1.00 0.00 N ATOM 681 CA ARG A 46 -7.958 0.566 -8.525 1.00 0.00 C ATOM 682 C ARG A 46 -7.130 1.331 -7.510 1.00 0.00 C ATOM 683 O ARG A 46 -7.662 2.058 -6.671 1.00 0.00 O ATOM 684 CB ARG A 46 -7.734 1.100 -9.940 1.00 0.00 C ATOM 685 CG ARG A 46 -8.758 2.121 -10.381 1.00 0.00 C ATOM 686 CD ARG A 46 -8.849 3.308 -9.440 1.00 0.00 C ATOM 687 NE ARG A 46 -9.920 4.223 -9.843 1.00 0.00 N ATOM 688 CZ ARG A 46 -9.910 4.936 -10.972 1.00 0.00 C ATOM 689 NH1 ARG A 46 -8.819 4.981 -11.730 1.00 0.00 N ATOM 690 NH2 ARG A 46 -10.982 5.633 -11.321 1.00 0.00 N ATOM 0 H ARG A 46 -9.948 1.120 -8.787 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.619 -0.470 -8.512 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.742 1.548 -9.995 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.745 0.264 -10.639 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.505 2.474 -11.381 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.735 1.642 -10.450 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.030 2.957 -8.424 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.898 3.840 -9.429 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.723 4.322 -9.222 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.982 4.469 -11.451 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.818 5.528 -12.591 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.812 5.624 -10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.977 6.179 -12.183 1.00 0.00 H new ATOM 704 N PHE A 47 -5.856 1.022 -7.500 1.00 0.00 N ATOM 705 CA PHE A 47 -4.955 1.510 -6.478 1.00 0.00 C ATOM 706 C PHE A 47 -3.543 1.609 -7.043 1.00 0.00 C ATOM 707 O PHE A 47 -3.208 0.931 -8.021 1.00 0.00 O ATOM 708 CB PHE A 47 -4.995 0.557 -5.273 1.00 0.00 C ATOM 709 CG PHE A 47 -4.508 -0.845 -5.559 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.156 -1.113 -5.740 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.411 -1.892 -5.654 1.00 0.00 C ATOM 712 CE1 PHE A 47 -2.720 -2.396 -6.007 1.00 0.00 C ATOM 713 CE2 PHE A 47 -4.978 -3.177 -5.921 1.00 0.00 C ATOM 714 CZ PHE A 47 -3.632 -3.429 -6.097 1.00 0.00 C ATOM 0 H PHE A 47 -5.412 0.426 -8.199 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.264 2.503 -6.152 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.389 0.981 -4.472 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.019 0.503 -4.904 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.438 -0.309 -5.671 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.465 -1.702 -5.518 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.667 -2.591 -6.145 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.692 -3.984 -5.992 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.293 -4.433 -6.305 1.00 0.00 H new ATOM 724 N ALA A 48 -2.705 2.384 -6.388 1.00 0.00 N ATOM 725 CA ALA A 48 -1.310 2.485 -6.770 1.00 0.00 C ATOM 726 C ALA A 48 -0.482 1.571 -5.892 1.00 0.00 C ATOM 727 O ALA A 48 -0.877 1.256 -4.776 1.00 0.00 O ATOM 728 CB ALA A 48 -0.809 3.917 -6.682 1.00 0.00 C ATOM 0 H ALA A 48 -2.966 2.956 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.211 2.175 -7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.240 3.954 -6.976 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.395 4.549 -7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.912 4.276 -5.658 1.00 0.00 H new ATOM 734 N TYR A 49 0.616 1.074 -6.422 1.00 0.00 N ATOM 735 CA TYR A 49 1.428 0.120 -5.699 1.00 0.00 C ATOM 736 C TYR A 49 2.896 0.448 -5.952 1.00 0.00 C ATOM 737 O TYR A 49 3.239 1.005 -6.997 1.00 0.00 O ATOM 738 CB TYR A 49 1.106 -1.312 -6.154 1.00 0.00 C ATOM 739 CG TYR A 49 1.866 -1.766 -7.372 1.00 0.00 C ATOM 740 CD1 TYR A 49 3.174 -2.205 -7.238 1.00 0.00 C ATOM 741 CD2 TYR A 49 1.282 -1.800 -8.625 1.00 0.00 C ATOM 742 CE1 TYR A 49 3.894 -2.649 -8.319 1.00 0.00 C ATOM 743 CE2 TYR A 49 1.991 -2.254 -9.721 1.00 0.00 C ATOM 744 CZ TYR A 49 3.298 -2.674 -9.565 1.00 0.00 C ATOM 745 OH TYR A 49 4.001 -3.135 -10.656 1.00 0.00 O ATOM 0 H TYR A 49 0.966 1.315 -7.349 1.00 0.00 H new ATOM 0 HA TYR A 49 1.216 0.184 -4.632 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.318 -1.997 -5.333 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.038 -1.383 -6.360 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.637 -2.198 -6.262 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.262 -1.468 -8.748 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.916 -2.976 -8.197 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.525 -2.280 -10.695 1.00 0.00 H new ATOM 0 HH TYR A 49 3.435 -3.086 -11.454 1.00 0.00 H new ATOM 755 N VAL A 50 3.755 0.104 -5.012 1.00 0.00 N ATOM 756 CA VAL A 50 5.175 0.353 -5.151 1.00 0.00 C ATOM 757 C VAL A 50 5.961 -0.910 -4.868 1.00 0.00 C ATOM 758 O VAL A 50 5.793 -1.536 -3.821 1.00 0.00 O ATOM 759 CB VAL A 50 5.664 1.458 -4.185 1.00 0.00 C ATOM 760 CG1 VAL A 50 7.144 1.745 -4.385 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.850 2.726 -4.352 1.00 0.00 C ATOM 0 H VAL A 50 3.491 -0.352 -4.139 1.00 0.00 H new ATOM 0 HA VAL A 50 5.339 0.683 -6.177 1.00 0.00 H new ATOM 0 HB VAL A 50 5.523 1.093 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.460 2.526 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.719 0.838 -4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.315 2.077 -5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.215 3.486 -3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.947 3.089 -5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.802 2.516 -4.140 1.00 0.00 H new ATOM 771 N ASP A 51 6.895 -1.214 -5.750 1.00 0.00 N ATOM 772 CA ASP A 51 7.800 -2.319 -5.531 1.00 0.00 C ATOM 773 C ASP A 51 8.875 -1.942 -4.518 1.00 0.00 C ATOM 774 O ASP A 51 9.466 -0.866 -4.578 1.00 0.00 O ATOM 775 CB ASP A 51 8.412 -2.815 -6.852 1.00 0.00 C ATOM 776 CG ASP A 51 9.057 -1.730 -7.704 1.00 0.00 C ATOM 777 OD1 ASP A 51 9.039 -0.545 -7.317 1.00 0.00 O ATOM 778 OD2 ASP A 51 9.566 -2.062 -8.794 1.00 0.00 O ATOM 0 H ASP A 51 7.044 -0.709 -6.624 1.00 0.00 H new ATOM 0 HA ASP A 51 7.227 -3.148 -5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.161 -3.574 -6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.632 -3.301 -7.438 1.00 0.00 H new ATOM 783 N ILE A 52 9.042 -2.794 -3.524 1.00 0.00 N ATOM 784 CA ILE A 52 9.945 -2.520 -2.415 1.00 0.00 C ATOM 785 C ILE A 52 10.633 -3.775 -1.924 1.00 0.00 C ATOM 786 O ILE A 52 11.839 -3.762 -1.746 1.00 0.00 O ATOM 787 CB ILE A 52 9.269 -1.779 -1.247 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.781 -2.079 -1.184 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.517 -0.294 -1.343 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.452 -3.475 -0.739 1.00 0.00 C ATOM 0 H ILE A 52 8.560 -3.691 -3.460 1.00 0.00 H new ATOM 0 HA ILE A 52 10.703 -1.848 -2.818 1.00 0.00 H new ATOM 0 HB ILE A 52 9.715 -2.141 -0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.308 -1.372 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.346 -1.912 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.031 0.211 -0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.589 -0.101 -1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.110 0.083 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.370 -3.606 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.893 -4.191 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.854 -3.643 0.260 1.00 0.00 H new ATOM 802 N LEU A 53 9.939 -4.912 -1.926 1.00 0.00 N ATOM 803 CA LEU A 53 10.645 -6.173 -1.704 1.00 0.00 C ATOM 804 C LEU A 53 11.598 -6.419 -2.878 1.00 0.00 C ATOM 805 O LEU A 53 12.457 -7.296 -2.835 1.00 0.00 O ATOM 806 CB LEU A 53 9.713 -7.387 -1.516 1.00 0.00 C ATOM 807 CG LEU A 53 8.722 -7.345 -0.342 1.00 0.00 C ATOM 808 CD1 LEU A 53 9.277 -6.522 0.804 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.350 -6.852 -0.779 1.00 0.00 C ATOM 0 H LEU A 53 8.932 -4.989 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 53 11.193 -6.072 -0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.141 -7.517 -2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.335 -8.274 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 53 8.589 -8.366 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.558 -6.507 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.212 -6.964 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.461 -5.503 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.678 -6.837 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.438 -5.846 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.949 -7.520 -1.541 1.00 0.00 H new ATOM 821 N GLN A 54 11.435 -5.599 -3.915 1.00 0.00 N ATOM 822 CA GLN A 54 12.266 -5.656 -5.107 1.00 0.00 C ATOM 823 C GLN A 54 13.408 -4.624 -5.022 1.00 0.00 C ATOM 824 O GLN A 54 14.562 -4.970 -5.261 1.00 0.00 O ATOM 825 CB GLN A 54 11.369 -5.450 -6.350 1.00 0.00 C ATOM 826 CG GLN A 54 12.083 -5.546 -7.695 1.00 0.00 C ATOM 827 CD GLN A 54 12.735 -4.250 -8.150 1.00 0.00 C ATOM 828 OE1 GLN A 54 13.469 -4.231 -9.135 1.00 0.00 O ATOM 829 NE2 GLN A 54 12.419 -3.153 -7.483 1.00 0.00 N ATOM 0 H GLN A 54 10.718 -4.874 -3.948 1.00 0.00 H new ATOM 0 HA GLN A 54 12.742 -6.633 -5.190 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.571 -6.192 -6.328 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.896 -4.470 -6.278 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.847 -6.321 -7.633 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.366 -5.864 -8.452 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.806 -3.209 -6.670 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.788 -2.250 -7.782 1.00 0.00 H new ATOM 838 N ASN A 55 13.109 -3.393 -4.581 1.00 0.00 N ATOM 839 CA ASN A 55 14.160 -2.382 -4.360 1.00 0.00 C ATOM 840 C ASN A 55 14.797 -2.554 -2.988 1.00 0.00 C ATOM 841 O ASN A 55 14.133 -2.372 -1.976 1.00 0.00 O ATOM 842 CB ASN A 55 13.600 -0.954 -4.472 1.00 0.00 C ATOM 843 CG ASN A 55 13.076 -0.621 -5.853 1.00 0.00 C ATOM 844 OD1 ASN A 55 13.802 -0.709 -6.843 1.00 0.00 O ATOM 845 ND2 ASN A 55 11.820 -0.211 -5.933 1.00 0.00 N ATOM 0 H ASN A 55 12.163 -3.074 -4.372 1.00 0.00 H new ATOM 0 HA ASN A 55 14.912 -2.531 -5.135 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.796 -0.829 -3.746 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.382 -0.243 -4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.424 0.045 -6.837 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.248 -0.151 -5.090 1.00 0.00 H new ATOM 852 N PRO A 56 16.085 -2.923 -2.934 1.00 0.00 N ATOM 853 CA PRO A 56 16.796 -3.156 -1.673 1.00 0.00 C ATOM 854 C PRO A 56 16.818 -1.934 -0.754 1.00 0.00 C ATOM 855 O PRO A 56 16.661 -2.058 0.463 1.00 0.00 O ATOM 856 CB PRO A 56 18.217 -3.496 -2.135 1.00 0.00 C ATOM 857 CG PRO A 56 18.046 -4.016 -3.508 1.00 0.00 C ATOM 858 CD PRO A 56 16.947 -3.191 -4.096 1.00 0.00 C ATOM 0 HA PRO A 56 16.313 -3.934 -1.081 1.00 0.00 H new ATOM 0 HB2 PRO A 56 18.860 -2.616 -2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.679 -4.238 -1.484 1.00 0.00 H new ATOM 0 HG2 PRO A 56 18.966 -3.919 -4.085 1.00 0.00 H new ATOM 0 HG3 PRO A 56 17.785 -5.074 -3.500 1.00 0.00 H new ATOM 0 HD2 PRO A 56 17.325 -2.270 -4.540 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.413 -3.728 -4.881 1.00 0.00 H new ATOM 866 N ASP A 57 17.115 -0.775 -1.324 1.00 0.00 N ATOM 867 CA ASP A 57 17.280 0.442 -0.526 1.00 0.00 C ATOM 868 C ASP A 57 15.962 0.898 0.072 1.00 0.00 C ATOM 869 O ASP A 57 15.857 1.122 1.278 1.00 0.00 O ATOM 870 CB ASP A 57 17.866 1.577 -1.371 1.00 0.00 C ATOM 871 CG ASP A 57 19.254 1.273 -1.888 1.00 0.00 C ATOM 872 OD1 ASP A 57 19.412 0.292 -2.649 1.00 0.00 O ATOM 873 OD2 ASP A 57 20.200 2.002 -1.524 1.00 0.00 O ATOM 0 H ASP A 57 17.247 -0.647 -2.327 1.00 0.00 H new ATOM 0 HA ASP A 57 17.969 0.199 0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 57 17.205 1.773 -2.215 1.00 0.00 H new ATOM 0 HB3 ASP A 57 17.898 2.488 -0.773 1.00 0.00 H new ATOM 878 N ILE A 58 14.967 1.058 -0.787 1.00 0.00 N ATOM 879 CA ILE A 58 13.657 1.528 -0.367 1.00 0.00 C ATOM 880 C ILE A 58 13.036 0.541 0.625 1.00 0.00 C ATOM 881 O ILE A 58 12.415 0.938 1.605 1.00 0.00 O ATOM 882 CB ILE A 58 12.721 1.714 -1.581 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.405 2.560 -2.659 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.423 2.382 -1.154 1.00 0.00 C ATOM 885 CD1 ILE A 58 12.557 2.766 -3.899 1.00 0.00 C ATOM 0 H ILE A 58 15.044 0.868 -1.786 1.00 0.00 H new ATOM 0 HA ILE A 58 13.783 2.495 0.120 1.00 0.00 H new ATOM 0 HB ILE A 58 12.496 0.730 -1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.660 3.533 -2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.341 2.081 -2.945 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.775 2.506 -2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.921 1.761 -0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.641 3.359 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.106 3.374 -4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.323 1.799 -4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.631 3.273 -3.627 1.00 0.00 H new ATOM 897 N ARG A 59 13.243 -0.746 0.359 1.00 0.00 N ATOM 898 CA ARG A 59 12.747 -1.835 1.202 1.00 0.00 C ATOM 899 C ARG A 59 13.088 -1.632 2.676 1.00 0.00 C ATOM 900 O ARG A 59 12.356 -2.081 3.550 1.00 0.00 O ATOM 901 CB ARG A 59 13.336 -3.156 0.700 1.00 0.00 C ATOM 902 CG ARG A 59 12.963 -4.386 1.511 1.00 0.00 C ATOM 903 CD ARG A 59 13.453 -5.656 0.824 1.00 0.00 C ATOM 904 NE ARG A 59 13.260 -6.846 1.652 1.00 0.00 N ATOM 905 CZ ARG A 59 13.933 -7.080 2.778 1.00 0.00 C ATOM 906 NH1 ARG A 59 14.966 -6.313 3.115 1.00 0.00 N ATOM 907 NH2 ARG A 59 13.614 -8.117 3.543 1.00 0.00 N ATOM 0 H ARG A 59 13.765 -1.068 -0.456 1.00 0.00 H new ATOM 0 HA ARG A 59 11.659 -1.851 1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.014 -3.310 -0.330 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.422 -3.067 0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.398 -4.315 2.508 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.881 -4.430 1.637 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.923 -5.783 -0.120 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.511 -5.551 0.584 1.00 0.00 H new ATOM 0 HE ARG A 59 12.572 -7.536 1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.247 -5.541 2.510 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.477 -6.497 3.978 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.852 -8.737 3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 59 14.131 -8.294 4.404 1.00 0.00 H new ATOM 921 N ALA A 60 14.254 -1.070 2.942 1.00 0.00 N ATOM 922 CA ALA A 60 14.737 -0.940 4.308 1.00 0.00 C ATOM 923 C ALA A 60 14.250 0.329 5.014 1.00 0.00 C ATOM 924 O ALA A 60 14.186 0.350 6.234 1.00 0.00 O ATOM 925 CB ALA A 60 16.256 -0.992 4.326 1.00 0.00 C ATOM 0 H ALA A 60 14.884 -0.696 2.232 1.00 0.00 H new ATOM 0 HA ALA A 60 14.321 -1.780 4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 60 16.611 -0.894 5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 60 16.592 -1.944 3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.655 -0.175 3.724 1.00 0.00 H new ATOM 931 N GLU A 61 14.244 1.444 4.292 1.00 0.00 N ATOM 932 CA GLU A 61 14.165 2.758 4.944 1.00 0.00 C ATOM 933 C GLU A 61 12.761 3.180 5.393 1.00 0.00 C ATOM 934 O GLU A 61 12.569 3.513 6.564 1.00 0.00 O ATOM 935 CB GLU A 61 14.739 3.837 4.028 1.00 0.00 C ATOM 936 CG GLU A 61 16.181 3.591 3.634 1.00 0.00 C ATOM 937 CD GLU A 61 16.778 4.750 2.868 1.00 0.00 C ATOM 938 OE1 GLU A 61 16.230 5.116 1.812 1.00 0.00 O ATOM 939 OE2 GLU A 61 17.800 5.300 3.335 1.00 0.00 O ATOM 0 H GLU A 61 14.292 1.472 3.274 1.00 0.00 H new ATOM 0 HA GLU A 61 14.755 2.652 5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.130 3.899 3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.667 4.803 4.528 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.773 3.409 4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.239 2.689 3.025 1.00 0.00 H new ATOM 946 N LEU A 62 11.812 3.307 4.464 1.00 0.00 N ATOM 947 CA LEU A 62 10.505 3.866 4.833 1.00 0.00 C ATOM 948 C LEU A 62 9.629 2.910 5.665 1.00 0.00 C ATOM 949 O LEU A 62 8.800 3.387 6.436 1.00 0.00 O ATOM 950 CB LEU A 62 9.712 4.473 3.636 1.00 0.00 C ATOM 951 CG LEU A 62 9.016 3.541 2.624 1.00 0.00 C ATOM 952 CD1 LEU A 62 9.986 2.563 2.023 1.00 0.00 C ATOM 953 CD2 LEU A 62 7.805 2.865 3.242 1.00 0.00 C ATOM 0 H LEU A 62 11.913 3.042 3.484 1.00 0.00 H new ATOM 0 HA LEU A 62 10.760 4.700 5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.948 5.129 4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.402 5.103 3.075 1.00 0.00 H new ATOM 0 HG LEU A 62 8.645 4.151 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.463 1.921 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.777 3.106 1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.423 1.952 2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.335 2.214 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.118 2.272 4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.091 3.622 3.565 1.00 0.00 H new ATOM 965 N PRO A 63 9.755 1.563 5.558 1.00 0.00 N ATOM 966 CA PRO A 63 8.915 0.663 6.346 1.00 0.00 C ATOM 967 C PRO A 63 9.067 0.941 7.823 1.00 0.00 C ATOM 968 O PRO A 63 8.087 0.961 8.575 1.00 0.00 O ATOM 969 CB PRO A 63 9.448 -0.730 6.014 1.00 0.00 C ATOM 970 CG PRO A 63 10.796 -0.495 5.447 1.00 0.00 C ATOM 971 CD PRO A 63 10.686 0.800 4.712 1.00 0.00 C ATOM 0 HA PRO A 63 7.856 0.779 6.117 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.497 -1.357 6.904 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.802 -1.241 5.300 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.550 -0.440 6.232 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.090 -1.304 4.779 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.651 1.298 4.618 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.299 0.663 3.702 1.00 0.00 H new ATOM 979 N LYS A 64 10.312 1.180 8.208 1.00 0.00 N ATOM 980 CA LYS A 64 10.668 1.484 9.575 1.00 0.00 C ATOM 981 C LYS A 64 9.851 2.667 10.067 1.00 0.00 C ATOM 982 O LYS A 64 9.432 2.717 11.225 1.00 0.00 O ATOM 983 CB LYS A 64 12.150 1.834 9.661 1.00 0.00 C ATOM 984 CG LYS A 64 13.057 0.881 8.901 1.00 0.00 C ATOM 985 CD LYS A 64 14.516 1.180 9.188 1.00 0.00 C ATOM 986 CE LYS A 64 14.893 2.582 8.740 1.00 0.00 C ATOM 987 NZ LYS A 64 16.309 2.905 9.050 1.00 0.00 N ATOM 0 H LYS A 64 11.107 1.167 7.569 1.00 0.00 H new ATOM 0 HA LYS A 64 10.463 0.611 10.194 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.297 2.843 9.276 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.449 1.846 10.709 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.830 -0.147 9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.867 0.967 7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.708 1.074 10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.146 0.451 8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.727 2.676 7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.241 3.306 9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.524 3.870 8.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.463 2.841 10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.933 2.231 8.563 1.00 0.00 H new ATOM 1001 N TYR A 65 9.663 3.640 9.179 1.00 0.00 N ATOM 1002 CA TYR A 65 8.937 4.841 9.525 1.00 0.00 C ATOM 1003 C TYR A 65 7.461 4.510 9.748 1.00 0.00 C ATOM 1004 O TYR A 65 6.839 5.074 10.648 1.00 0.00 O ATOM 1005 CB TYR A 65 9.168 5.967 8.470 1.00 0.00 C ATOM 1006 CG TYR A 65 8.039 6.275 7.482 1.00 0.00 C ATOM 1007 CD1 TYR A 65 6.780 6.682 7.921 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.249 6.196 6.104 1.00 0.00 C ATOM 1009 CE1 TYR A 65 5.777 6.996 7.031 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.238 6.503 5.208 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.010 6.905 5.680 1.00 0.00 C ATOM 1012 OH TYR A 65 5.014 7.240 4.797 1.00 0.00 O ATOM 0 H TYR A 65 10.006 3.613 8.219 1.00 0.00 H new ATOM 0 HA TYR A 65 9.321 5.238 10.464 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.399 6.886 9.009 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.054 5.705 7.892 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.587 6.753 8.981 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.215 5.891 5.731 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.810 7.313 7.394 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.413 6.427 4.145 1.00 0.00 H new ATOM 0 HH TYR A 65 4.260 6.624 4.906 1.00 0.00 H new ATOM 1022 N ALA A 66 6.870 3.652 8.901 1.00 0.00 N ATOM 1023 CA ALA A 66 5.444 3.376 9.039 1.00 0.00 C ATOM 1024 C ALA A 66 5.135 2.465 10.228 1.00 0.00 C ATOM 1025 O ALA A 66 4.530 2.909 11.205 1.00 0.00 O ATOM 1026 CB ALA A 66 4.954 2.712 7.774 1.00 0.00 C ATOM 0 H ALA A 66 7.341 3.158 8.143 1.00 0.00 H new ATOM 0 HA ALA A 66 4.938 4.326 9.213 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.889 2.500 7.864 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.122 3.376 6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.498 1.780 7.618 1.00 0.00 H new ATOM 1032 N ASN A 67 5.735 1.275 10.237 1.00 0.00 N ATOM 1033 CA ASN A 67 5.720 0.404 11.413 1.00 0.00 C ATOM 1034 C ASN A 67 6.588 -0.824 11.163 1.00 0.00 C ATOM 1035 O ASN A 67 7.444 -1.190 11.966 1.00 0.00 O ATOM 1036 CB ASN A 67 4.294 -0.028 11.779 1.00 0.00 C ATOM 1037 CG ASN A 67 4.254 -0.890 13.025 1.00 0.00 C ATOM 1038 OD1 ASN A 67 4.664 -0.463 14.103 1.00 0.00 O ATOM 1039 ND2 ASN A 67 3.761 -2.110 12.888 1.00 0.00 N ATOM 0 H ASN A 67 6.240 0.890 9.439 1.00 0.00 H new ATOM 0 HA ASN A 67 6.123 0.971 12.253 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.677 0.857 11.933 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.859 -0.579 10.945 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.711 -2.733 13.694 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.431 -2.427 11.977 1.00 0.00 H new ATOM 1046 N TRP A 68 6.269 -1.491 10.052 1.00 0.00 N ATOM 1047 CA TRP A 68 6.897 -2.746 9.637 1.00 0.00 C ATOM 1048 C TRP A 68 8.401 -2.623 9.423 1.00 0.00 C ATOM 1049 O TRP A 68 8.869 -1.641 8.876 1.00 0.00 O ATOM 1050 CB TRP A 68 6.283 -3.240 8.323 1.00 0.00 C ATOM 1051 CG TRP A 68 4.969 -3.960 8.432 1.00 0.00 C ATOM 1052 CD1 TRP A 68 4.725 -5.218 7.970 1.00 0.00 C ATOM 1053 CD2 TRP A 68 3.727 -3.488 8.982 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.421 -5.568 8.209 1.00 0.00 N ATOM 1055 CE2 TRP A 68 2.789 -4.530 8.831 1.00 0.00 C ATOM 1056 CE3 TRP A 68 3.314 -2.303 9.592 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.471 -4.418 9.267 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.004 -2.195 10.024 1.00 0.00 C ATOM 1059 CH2 TRP A 68 1.099 -3.246 9.860 1.00 0.00 C ATOM 0 H TRP A 68 5.552 -1.167 9.403 1.00 0.00 H new ATOM 0 HA TRP A 68 6.718 -3.448 10.451 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.150 -2.382 7.664 1.00 0.00 H new ATOM 0 HB3 TRP A 68 6.999 -3.905 7.840 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.454 -5.850 7.485 1.00 0.00 H new ATOM 0 HE1 TRP A 68 2.992 -6.460 7.962 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.005 -1.484 9.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.769 -5.229 9.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.675 -1.281 10.497 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.084 -3.129 10.210 1.00 0.00 H new ATOM 1070 N PRO A 69 9.159 -3.689 9.716 1.00 0.00 N ATOM 1071 CA PRO A 69 10.588 -3.742 9.393 1.00 0.00 C ATOM 1072 C PRO A 69 10.805 -3.625 7.883 1.00 0.00 C ATOM 1073 O PRO A 69 11.758 -2.998 7.420 1.00 0.00 O ATOM 1074 CB PRO A 69 11.033 -5.125 9.891 1.00 0.00 C ATOM 1075 CG PRO A 69 9.923 -5.613 10.761 1.00 0.00 C ATOM 1076 CD PRO A 69 8.670 -4.973 10.236 1.00 0.00 C ATOM 0 HA PRO A 69 11.150 -2.927 9.850 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.206 -5.805 9.057 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.968 -5.059 10.448 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.850 -6.700 10.726 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.094 -5.338 11.802 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.204 -5.575 9.456 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.926 -4.836 11.020 1.00 0.00 H new ATOM 1084 N THR A 70 9.881 -4.221 7.134 1.00 0.00 N ATOM 1085 CA THR A 70 9.887 -4.198 5.678 1.00 0.00 C ATOM 1086 C THR A 70 8.451 -4.065 5.161 1.00 0.00 C ATOM 1087 O THR A 70 7.729 -3.166 5.576 1.00 0.00 O ATOM 1088 CB THR A 70 10.563 -5.462 5.105 1.00 0.00 C ATOM 1089 OG1 THR A 70 9.954 -6.636 5.659 1.00 0.00 O ATOM 1090 CG2 THR A 70 12.056 -5.460 5.407 1.00 0.00 C ATOM 0 H THR A 70 9.097 -4.740 7.529 1.00 0.00 H new ATOM 0 HA THR A 70 10.466 -3.338 5.343 1.00 0.00 H new ATOM 0 HB THR A 70 10.430 -5.464 4.023 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.387 -7.434 5.290 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.512 -6.360 4.994 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.517 -4.581 4.957 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.209 -5.438 6.486 1.00 0.00 H new ATOM 1098 N PHE A 71 8.031 -4.931 4.249 1.00 0.00 N ATOM 1099 CA PHE A 71 6.682 -4.851 3.687 1.00 0.00 C ATOM 1100 C PHE A 71 6.149 -6.271 3.488 1.00 0.00 C ATOM 1101 O PHE A 71 6.817 -7.222 3.895 1.00 0.00 O ATOM 1102 CB PHE A 71 6.710 -4.085 2.348 1.00 0.00 C ATOM 1103 CG PHE A 71 7.384 -2.737 2.416 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.765 -2.663 2.403 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.654 -1.551 2.462 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.407 -1.455 2.443 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.307 -0.328 2.501 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.678 -0.294 2.492 1.00 0.00 C ATOM 0 H PHE A 71 8.599 -5.695 3.881 1.00 0.00 H new ATOM 0 HA PHE A 71 6.025 -4.311 4.369 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.221 -4.696 1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.686 -3.949 2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.346 -3.573 2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.575 -1.584 2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.486 -1.416 2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.740 0.591 2.538 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.189 0.657 2.524 1.00 0.00 H new ATOM 1118 N PRO A 72 4.967 -6.488 2.863 1.00 0.00 N ATOM 1119 CA PRO A 72 4.064 -5.447 2.320 1.00 0.00 C ATOM 1120 C PRO A 72 3.421 -4.560 3.377 1.00 0.00 C ATOM 1121 O PRO A 72 3.231 -4.977 4.522 1.00 0.00 O ATOM 1122 CB PRO A 72 2.973 -6.250 1.614 1.00 0.00 C ATOM 1123 CG PRO A 72 2.978 -7.567 2.297 1.00 0.00 C ATOM 1124 CD PRO A 72 4.411 -7.832 2.648 1.00 0.00 C ATOM 0 HA PRO A 72 4.624 -4.761 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.002 -5.762 1.701 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.183 -6.354 0.550 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.353 -7.548 3.190 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.583 -8.347 1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.497 -8.450 3.542 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.930 -8.357 1.846 1.00 0.00 H new ATOM 1132 N GLN A 73 2.953 -3.393 2.936 1.00 0.00 N ATOM 1133 CA GLN A 73 2.166 -2.500 3.779 1.00 0.00 C ATOM 1134 C GLN A 73 1.213 -1.695 2.903 1.00 0.00 C ATOM 1135 O GLN A 73 1.626 -1.093 1.909 1.00 0.00 O ATOM 1136 CB GLN A 73 3.045 -1.522 4.546 1.00 0.00 C ATOM 1137 CG GLN A 73 4.176 -2.144 5.344 1.00 0.00 C ATOM 1138 CD GLN A 73 4.939 -1.107 6.142 1.00 0.00 C ATOM 1139 OE1 GLN A 73 4.383 -0.441 7.008 1.00 0.00 O ATOM 1140 NE2 GLN A 73 6.217 -0.971 5.867 1.00 0.00 N ATOM 0 H GLN A 73 3.108 -3.043 1.990 1.00 0.00 H new ATOM 0 HA GLN A 73 1.623 -3.116 4.495 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.472 -0.812 3.837 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.414 -0.952 5.228 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.772 -2.898 6.020 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.859 -2.657 4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.646 -1.543 5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.780 -0.294 6.381 1.00 0.00 H new ATOM 1149 N LEU A 74 -0.057 -1.690 3.278 1.00 0.00 N ATOM 1150 CA LEU A 74 -1.080 -0.954 2.547 1.00 0.00 C ATOM 1151 C LEU A 74 -1.194 0.467 3.095 1.00 0.00 C ATOM 1152 O LEU A 74 -1.192 0.667 4.312 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.411 -1.727 2.635 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.645 -1.127 1.928 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -4.200 0.077 2.674 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.298 -0.741 0.501 1.00 0.00 C ATOM 0 H LEU A 74 -0.408 -2.193 4.093 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.810 -0.867 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.245 -2.725 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.657 -1.849 3.690 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.419 -1.894 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.067 0.467 2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.496 -0.223 3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.435 0.851 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.177 -0.319 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.498 -0.001 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.970 -1.625 -0.045 1.00 0.00 H new ATOM 1168 N TRP A 75 -1.313 1.440 2.197 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.450 2.830 2.586 1.00 0.00 C ATOM 1170 C TRP A 75 -2.744 3.424 2.035 1.00 0.00 C ATOM 1171 O TRP A 75 -3.027 3.339 0.838 1.00 0.00 O ATOM 1172 CB TRP A 75 -0.256 3.644 2.097 1.00 0.00 C ATOM 1173 CG TRP A 75 1.041 3.228 2.713 1.00 0.00 C ATOM 1174 CD1 TRP A 75 1.780 2.108 2.456 1.00 0.00 C ATOM 1175 CD2 TRP A 75 1.713 3.924 3.751 1.00 0.00 C ATOM 1176 NE1 TRP A 75 2.902 2.098 3.256 1.00 0.00 N ATOM 1177 CE2 TRP A 75 2.872 3.204 4.063 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.444 5.102 4.434 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 3.760 3.629 5.039 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.323 5.524 5.404 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.470 4.788 5.699 1.00 0.00 C ATOM 0 H TRP A 75 -1.317 1.284 1.189 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.484 2.871 3.675 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.181 3.550 1.014 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.431 4.698 2.314 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.524 1.346 1.735 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.632 1.386 3.248 1.00 0.00 H new ATOM 0 HE3 TRP A 75 0.559 5.678 4.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 4.650 3.063 5.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.122 6.437 5.944 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.143 5.142 6.466 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.485 4.087 2.906 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.707 4.775 2.530 1.00 0.00 C ATOM 1194 C VAL A 76 -4.522 6.271 2.777 1.00 0.00 C ATOM 1195 O VAL A 76 -4.232 6.664 3.907 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.900 4.269 3.379 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -7.183 4.981 3.010 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -6.076 2.770 3.235 1.00 0.00 C ATOM 0 H VAL A 76 -3.255 4.163 3.897 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.916 4.581 1.478 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.672 4.494 4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.999 4.602 3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.067 6.051 3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.408 4.804 1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.920 2.443 3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.264 2.524 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.171 2.264 3.570 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.631 7.087 1.723 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.410 8.542 1.826 1.00 0.00 C ATOM 1210 C ASP A 77 -3.032 8.792 2.435 1.00 0.00 C ATOM 1211 O ASP A 77 -2.828 9.635 3.301 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.524 9.180 2.664 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.559 10.713 2.654 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -4.608 11.369 3.124 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -6.553 11.280 2.153 1.00 0.00 O ATOM 0 H ASP A 77 -4.871 6.768 0.785 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.439 9.001 0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.484 8.809 2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.418 8.843 3.695 1.00 0.00 H new ATOM 1220 N GLY A 78 -2.094 7.999 1.980 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.732 8.077 2.463 1.00 0.00 C ATOM 1222 C GLY A 78 -0.590 7.762 3.940 1.00 0.00 C ATOM 1223 O GLY A 78 0.369 8.197 4.576 1.00 0.00 O ATOM 0 H GLY A 78 -2.248 7.284 1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.113 7.385 1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.346 9.079 2.275 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.485 6.939 4.474 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.371 6.505 5.858 1.00 0.00 C ATOM 1229 C GLU A 79 -1.469 4.993 5.967 1.00 0.00 C ATOM 1230 O GLU A 79 -2.251 4.353 5.266 1.00 0.00 O ATOM 1231 CB GLU A 79 -2.410 7.169 6.760 1.00 0.00 C ATOM 1232 CG GLU A 79 -2.282 8.681 6.825 1.00 0.00 C ATOM 1233 CD GLU A 79 -3.129 9.285 7.922 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -4.358 9.076 7.923 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -2.563 9.974 8.793 1.00 0.00 O ATOM 0 H GLU A 79 -2.290 6.563 3.974 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.386 6.819 6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.407 6.912 6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.318 6.761 7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.238 8.948 6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.575 9.109 5.866 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.568 4.434 6.757 1.00 0.00 N ATOM 1243 CA LEU A 80 -0.415 3.000 6.873 1.00 0.00 C ATOM 1244 C LEU A 80 -1.621 2.333 7.519 1.00 0.00 C ATOM 1245 O LEU A 80 -2.073 2.736 8.594 1.00 0.00 O ATOM 1246 CB LEU A 80 0.840 2.679 7.681 1.00 0.00 C ATOM 1247 CG LEU A 80 1.052 1.198 7.961 1.00 0.00 C ATOM 1248 CD1 LEU A 80 1.341 0.448 6.673 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.163 1.002 8.975 1.00 0.00 C ATOM 0 H LEU A 80 0.079 4.968 7.337 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.327 2.603 5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.709 3.062 7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.791 3.211 8.631 1.00 0.00 H new ATOM 0 HG LEU A 80 0.136 0.789 8.387 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.490 -0.609 6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.500 0.561 5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.241 0.853 6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.300 -0.063 9.163 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.089 1.424 8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.899 1.503 9.906 1.00 0.00 H new ATOM 1261 N VAL A 81 -2.013 1.211 6.937 1.00 0.00 N ATOM 1262 CA VAL A 81 -3.016 0.351 7.531 1.00 0.00 C ATOM 1263 C VAL A 81 -2.391 -0.994 7.903 1.00 0.00 C ATOM 1264 O VAL A 81 -2.401 -1.397 9.064 1.00 0.00 O ATOM 1265 CB VAL A 81 -4.210 0.127 6.574 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -5.220 -0.842 7.175 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.886 1.449 6.242 1.00 0.00 C ATOM 0 H VAL A 81 -1.646 0.875 6.046 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.392 0.843 8.428 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.822 -0.310 5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.049 -0.981 6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.738 -1.802 7.361 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.597 -0.438 8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.723 1.270 5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.251 1.911 7.159 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.169 2.114 5.761 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.796 -1.651 6.914 1.00 0.00 N ATOM 1278 CA GLY A 82 -1.117 -2.920 7.141 1.00 0.00 C ATOM 1279 C GLY A 82 -1.049 -3.736 5.871 1.00 0.00 C ATOM 1280 O GLY A 82 -1.992 -3.726 5.089 1.00 0.00 O ATOM 0 H GLY A 82 -1.770 -1.326 5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.109 -2.735 7.512 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.642 -3.484 7.912 1.00 0.00 H new ATOM 1284 N GLY A 83 0.116 -4.286 5.575 1.00 0.00 N ATOM 1285 CA GLY A 83 0.315 -4.914 4.279 1.00 0.00 C ATOM 1286 C GLY A 83 -0.122 -6.356 4.178 1.00 0.00 C ATOM 1287 O GLY A 83 -0.886 -6.702 3.295 1.00 0.00 O ATOM 0 H GLY A 83 0.923 -4.312 6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.225 -4.336 3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.374 -4.855 4.026 1.00 0.00 H new ATOM 1291 N CYS A 84 0.472 -7.232 4.962 1.00 0.00 N ATOM 1292 CA CYS A 84 0.201 -8.652 4.801 1.00 0.00 C ATOM 1293 C CYS A 84 -1.111 -9.073 5.474 1.00 0.00 C ATOM 1294 O CYS A 84 -2.042 -9.531 4.815 1.00 0.00 O ATOM 1295 CB CYS A 84 1.386 -9.475 5.318 1.00 0.00 C ATOM 1296 SG CYS A 84 1.859 -9.103 7.028 1.00 0.00 S ATOM 0 H CYS A 84 1.132 -6.997 5.703 1.00 0.00 H new ATOM 0 HA CYS A 84 0.076 -8.850 3.736 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.139 -10.534 5.243 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.245 -9.302 4.669 1.00 0.00 H new ATOM 0 HG CYS A 84 2.866 -9.850 7.372 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.120 -9.018 6.796 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.240 -9.504 7.601 1.00 0.00 C ATOM 1304 C ASP A 85 -3.373 -8.491 7.667 1.00 0.00 C ATOM 1305 O ASP A 85 -4.549 -8.850 7.544 1.00 0.00 O ATOM 1306 CB ASP A 85 -1.711 -9.807 9.008 1.00 0.00 C ATOM 1307 CG ASP A 85 -2.707 -10.506 9.914 1.00 0.00 C ATOM 1308 OD1 ASP A 85 -3.774 -9.934 10.201 1.00 0.00 O ATOM 1309 OD2 ASP A 85 -2.413 -11.635 10.354 1.00 0.00 O ATOM 0 H ASP A 85 -0.352 -8.635 7.347 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.651 -10.402 7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.819 -10.427 8.922 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.405 -8.872 9.477 1.00 0.00 H new ATOM 1314 N ILE A 86 -3.015 -7.267 8.024 1.00 0.00 N ATOM 1315 CA ILE A 86 -3.991 -6.228 8.322 1.00 0.00 C ATOM 1316 C ILE A 86 -4.962 -5.997 7.175 1.00 0.00 C ATOM 1317 O ILE A 86 -6.170 -5.937 7.379 1.00 0.00 O ATOM 1318 CB ILE A 86 -3.294 -4.892 8.624 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -2.308 -5.033 9.786 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -4.335 -3.821 8.927 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -2.956 -5.429 11.087 1.00 0.00 C ATOM 0 H ILE A 86 -2.045 -6.966 8.115 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.545 -6.579 9.193 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.725 -4.593 7.744 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.556 -5.777 9.524 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.786 -4.086 9.924 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.834 -2.877 9.140 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.991 -3.697 8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.925 -4.122 9.792 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.195 -5.509 11.863 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.688 -4.674 11.373 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.455 -6.391 10.967 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.419 -5.752 5.992 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.235 -5.387 4.847 1.00 0.00 C ATOM 1335 C VAL A 87 -6.237 -6.492 4.537 1.00 0.00 C ATOM 1336 O VAL A 87 -7.420 -6.232 4.350 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.354 -5.078 3.619 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -3.653 -6.307 3.104 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -5.139 -4.404 2.513 1.00 0.00 C ATOM 0 H VAL A 87 -3.418 -5.800 5.801 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.789 -4.481 5.094 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.590 -4.378 3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.044 -6.043 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.014 -6.716 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -4.393 -7.053 2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.480 -4.205 1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.951 -5.057 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.552 -3.465 2.880 1.00 0.00 H new ATOM 1349 N ILE A 88 -5.769 -7.729 4.587 1.00 0.00 N ATOM 1350 CA ILE A 88 -6.643 -8.885 4.410 1.00 0.00 C ATOM 1351 C ILE A 88 -7.750 -8.912 5.454 1.00 0.00 C ATOM 1352 O ILE A 88 -8.922 -9.054 5.106 1.00 0.00 O ATOM 1353 CB ILE A 88 -5.873 -10.221 4.466 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -4.931 -10.337 3.273 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -6.843 -11.402 4.493 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -5.654 -10.361 1.944 1.00 0.00 C ATOM 0 H ILE A 88 -4.789 -7.962 4.749 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.079 -8.777 3.417 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.283 -10.241 5.382 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.234 -9.499 3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.338 -11.246 3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.280 -12.334 4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.483 -11.327 5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.459 -11.388 3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.927 -10.445 1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.331 -11.215 1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.225 -9.441 1.824 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.395 -8.777 6.728 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.417 -8.797 7.768 1.00 0.00 C ATOM 1370 C GLU A 89 -9.382 -7.628 7.591 1.00 0.00 C ATOM 1371 O GLU A 89 -10.591 -7.828 7.543 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.814 -8.769 9.171 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.879 -8.847 10.257 1.00 0.00 C ATOM 1374 CD GLU A 89 -8.319 -8.840 11.663 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -7.087 -8.754 11.820 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -9.120 -8.928 12.618 1.00 0.00 O ATOM 0 H GLU A 89 -6.438 -8.656 7.059 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.962 -9.735 7.663 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.121 -9.603 9.283 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.235 -7.854 9.297 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.562 -8.005 10.144 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.465 -9.755 10.114 1.00 0.00 H new ATOM 1383 N MET A 90 -8.840 -6.424 7.415 1.00 0.00 N ATOM 1384 CA MET A 90 -9.655 -5.235 7.160 1.00 0.00 C ATOM 1385 C MET A 90 -10.574 -5.451 5.960 1.00 0.00 C ATOM 1386 O MET A 90 -11.758 -5.115 6.006 1.00 0.00 O ATOM 1387 CB MET A 90 -8.767 -4.003 6.950 1.00 0.00 C ATOM 1388 CG MET A 90 -8.043 -3.546 8.207 1.00 0.00 C ATOM 1389 SD MET A 90 -9.176 -3.011 9.507 1.00 0.00 S ATOM 1390 CE MET A 90 -8.009 -2.584 10.800 1.00 0.00 C ATOM 0 H MET A 90 -7.836 -6.245 7.444 1.00 0.00 H new ATOM 0 HA MET A 90 -10.280 -5.059 8.036 1.00 0.00 H new ATOM 0 HB2 MET A 90 -8.030 -4.225 6.178 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.381 -3.183 6.578 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.425 -4.362 8.582 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.371 -2.726 7.956 1.00 0.00 H new ATOM 0 HE1 MET A 90 -8.551 -2.233 11.678 1.00 0.00 H new ATOM 0 HE2 MET A 90 -7.421 -3.463 11.064 1.00 0.00 H new ATOM 0 HE3 MET A 90 -7.345 -1.796 10.445 1.00 0.00 H new ATOM 1400 N TYR A 91 -10.047 -6.108 4.934 1.00 0.00 N ATOM 1401 CA TYR A 91 -10.823 -6.503 3.763 1.00 0.00 C ATOM 1402 C TYR A 91 -11.986 -7.406 4.144 1.00 0.00 C ATOM 1403 O TYR A 91 -13.126 -7.150 3.754 1.00 0.00 O ATOM 1404 CB TYR A 91 -9.893 -7.231 2.791 1.00 0.00 C ATOM 1405 CG TYR A 91 -10.569 -8.145 1.799 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.511 -7.688 0.887 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.250 -9.490 1.794 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -12.112 -8.557 -0.003 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -10.837 -10.362 0.913 1.00 0.00 C ATOM 1410 CZ TYR A 91 -11.770 -9.895 0.011 1.00 0.00 C ATOM 1411 OH TYR A 91 -12.367 -10.764 -0.876 1.00 0.00 O ATOM 0 H TYR A 91 -9.066 -6.383 4.890 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.242 -5.611 3.297 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.320 -6.486 2.239 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.180 -7.817 3.370 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.777 -6.641 0.873 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.522 -9.863 2.500 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.846 -8.192 -0.706 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -10.570 -11.408 0.926 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.015 -11.668 -0.736 1.00 0.00 H new ATOM 1421 N GLN A 92 -11.687 -8.472 4.873 1.00 0.00 N ATOM 1422 CA GLN A 92 -12.703 -9.435 5.269 1.00 0.00 C ATOM 1423 C GLN A 92 -13.735 -8.785 6.192 1.00 0.00 C ATOM 1424 O GLN A 92 -14.938 -8.986 6.030 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.057 -10.663 5.919 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.087 -11.377 4.986 1.00 0.00 C ATOM 1427 CD GLN A 92 -10.480 -12.623 5.594 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -9.834 -12.571 6.641 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -10.668 -13.751 4.927 1.00 0.00 N ATOM 0 H GLN A 92 -10.747 -8.691 5.202 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.229 -9.772 4.376 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.528 -10.356 6.821 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.837 -11.359 6.228 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.609 -11.646 4.068 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.288 -10.690 4.709 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.210 -13.748 4.063 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.271 -14.623 5.277 1.00 0.00 H new ATOM 1438 N ARG A 93 -13.260 -7.913 7.083 1.00 0.00 N ATOM 1439 CA ARG A 93 -14.141 -7.118 7.939 1.00 0.00 C ATOM 1440 C ARG A 93 -15.029 -6.217 7.076 1.00 0.00 C ATOM 1441 O ARG A 93 -16.129 -5.830 7.473 1.00 0.00 O ATOM 1442 CB ARG A 93 -13.336 -6.226 8.890 1.00 0.00 C ATOM 1443 CG ARG A 93 -12.273 -6.938 9.713 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.840 -8.021 10.614 1.00 0.00 C ATOM 1445 NE ARG A 93 -13.793 -7.505 11.595 1.00 0.00 N ATOM 1446 CZ ARG A 93 -14.318 -8.250 12.565 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -13.844 -9.469 12.793 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -15.282 -7.764 13.335 1.00 0.00 N ATOM 0 H ARG A 93 -12.266 -7.739 7.231 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.746 -7.811 8.523 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.854 -5.443 8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -14.029 -5.733 9.572 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.539 -7.381 9.041 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.745 -6.206 10.324 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.331 -8.776 10.001 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -12.022 -8.517 11.136 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.069 -6.525 11.533 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.079 -9.833 12.225 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.245 -10.041 13.536 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -15.625 -6.815 13.185 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -15.681 -8.339 14.077 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.470 -5.800 5.945 1.00 0.00 N ATOM 1463 CA GLY A 94 -15.116 -4.844 5.067 1.00 0.00 C ATOM 1464 C GLY A 94 -14.872 -3.419 5.518 1.00 0.00 C ATOM 1465 O GLY A 94 -15.583 -2.499 5.125 1.00 0.00 O ATOM 0 H GLY A 94 -13.558 -6.117 5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.744 -4.973 4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.188 -5.040 5.041 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.814 -3.247 6.297 1.00 0.00 N ATOM 1470 CA GLU A 95 -13.384 -1.940 6.778 1.00 0.00 C ATOM 1471 C GLU A 95 -12.395 -1.307 5.808 1.00 0.00 C ATOM 1472 O GLU A 95 -12.276 -0.091 5.713 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.751 -2.105 8.148 1.00 0.00 C ATOM 1474 CG GLU A 95 -13.692 -2.760 9.135 1.00 0.00 C ATOM 1475 CD GLU A 95 -14.939 -1.938 9.395 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -15.001 -0.779 8.940 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -15.852 -2.440 10.083 1.00 0.00 O ATOM 0 H GLU A 95 -13.225 -4.016 6.616 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.248 -1.279 6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.845 -2.705 8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.450 -1.129 8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.981 -3.741 8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.167 -2.923 10.076 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.637 -2.172 5.157 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.559 -1.783 4.244 1.00 0.00 C ATOM 1486 C LEU A 96 -11.128 -0.907 3.145 1.00 0.00 C ATOM 1487 O LEU A 96 -10.694 0.219 2.923 1.00 0.00 O ATOM 1488 CB LEU A 96 -9.974 -3.064 3.619 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.620 -2.978 2.888 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -8.336 -4.301 2.206 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -8.564 -1.863 1.866 1.00 0.00 C ATOM 0 H LEU A 96 -11.749 -3.182 5.244 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.785 -1.234 4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.875 -3.804 4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.707 -3.452 2.912 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.864 -2.756 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.379 -4.245 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.298 -5.094 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.126 -4.517 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.585 -1.857 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.335 -2.021 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.732 -0.907 2.361 1.00 0.00 H new ATOM 1503 N GLN A 97 -12.134 -1.450 2.494 1.00 0.00 N ATOM 1504 CA GLN A 97 -12.845 -0.773 1.424 1.00 0.00 C ATOM 1505 C GLN A 97 -13.521 0.487 1.921 1.00 0.00 C ATOM 1506 O GLN A 97 -13.672 1.445 1.182 1.00 0.00 O ATOM 1507 CB GLN A 97 -13.857 -1.725 0.797 1.00 0.00 C ATOM 1508 CG GLN A 97 -14.702 -2.476 1.815 1.00 0.00 C ATOM 1509 CD GLN A 97 -15.590 -3.519 1.174 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -16.474 -3.198 0.383 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -15.341 -4.781 1.493 1.00 0.00 N ATOM 0 H GLN A 97 -12.488 -2.386 2.693 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.123 -0.473 0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -14.515 -1.159 0.138 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.327 -2.446 0.175 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.047 -2.958 2.541 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.320 -1.766 2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.597 -5.003 2.155 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.893 -5.531 1.077 1.00 0.00 H new ATOM 1520 N GLN A 98 -13.858 0.496 3.192 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.443 1.663 3.820 1.00 0.00 C ATOM 1522 C GLN A 98 -13.417 2.777 3.920 1.00 0.00 C ATOM 1523 O GLN A 98 -13.686 3.923 3.553 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.996 1.286 5.191 1.00 0.00 C ATOM 1525 CG GLN A 98 -16.255 0.437 5.113 1.00 0.00 C ATOM 1526 CD GLN A 98 -17.399 1.127 4.383 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -17.279 1.503 3.215 1.00 0.00 O ATOM 1528 NE2 GLN A 98 -18.521 1.282 5.063 1.00 0.00 N ATOM 0 H GLN A 98 -13.736 -0.300 3.818 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.268 2.030 3.209 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.232 0.743 5.747 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.212 2.195 5.752 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.023 -0.500 4.607 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -16.577 0.183 6.123 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -18.581 0.958 6.028 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -19.327 1.726 4.623 1.00 0.00 H new ATOM 1537 N LEU A 99 -12.218 2.404 4.330 1.00 0.00 N ATOM 1538 CA LEU A 99 -11.107 3.334 4.388 1.00 0.00 C ATOM 1539 C LEU A 99 -10.739 3.780 2.983 1.00 0.00 C ATOM 1540 O LEU A 99 -10.584 4.972 2.714 1.00 0.00 O ATOM 1541 CB LEU A 99 -9.896 2.667 5.042 1.00 0.00 C ATOM 1542 CG LEU A 99 -10.174 1.965 6.373 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.900 1.343 6.919 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -10.773 2.930 7.385 1.00 0.00 C ATOM 0 H LEU A 99 -11.989 1.456 4.630 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.403 4.199 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.483 1.938 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.128 3.424 5.203 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.900 1.172 6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -9.114 0.847 7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.517 0.613 6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.154 2.122 7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.961 2.405 8.322 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -10.077 3.750 7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.711 3.327 6.998 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.610 2.806 2.090 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.261 3.082 0.707 1.00 0.00 C ATOM 1558 C ILE A 100 -11.304 3.959 0.046 1.00 0.00 C ATOM 1559 O ILE A 100 -10.957 4.914 -0.613 1.00 0.00 O ATOM 1560 CB ILE A 100 -10.088 1.788 -0.123 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -8.917 0.963 0.408 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -9.880 2.109 -1.597 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.579 1.662 0.318 1.00 0.00 C ATOM 0 H ILE A 100 -10.743 1.817 2.302 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.305 3.605 0.732 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.002 1.202 -0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.111 0.705 1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.864 0.027 -0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.761 1.182 -2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.744 2.654 -1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.985 2.721 -1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.801 1.010 0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.360 1.896 -0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.611 2.584 0.898 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.574 3.613 0.192 1.00 0.00 N ATOM 1576 CA LYS A 101 -13.638 4.362 -0.452 1.00 0.00 C ATOM 1577 C LYS A 101 -13.628 5.825 -0.034 1.00 0.00 C ATOM 1578 O LYS A 101 -13.745 6.718 -0.873 1.00 0.00 O ATOM 1579 CB LYS A 101 -15.000 3.754 -0.135 1.00 0.00 C ATOM 1580 CG LYS A 101 -16.121 4.537 -0.768 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.497 3.934 -0.518 1.00 0.00 C ATOM 1582 CE LYS A 101 -17.862 3.917 0.959 1.00 0.00 C ATOM 1583 NZ LYS A 101 -19.258 3.446 1.173 1.00 0.00 N ATOM 0 H LYS A 101 -12.891 2.820 0.750 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.460 4.308 -1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.030 2.724 -0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -15.142 3.723 0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.104 5.557 -0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -15.949 4.599 -1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -18.246 4.504 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -17.521 2.916 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.172 3.268 1.498 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.747 4.918 1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -19.774 4.140 1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -19.733 3.338 0.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -19.244 2.530 1.665 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.520 6.062 1.262 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.531 7.419 1.787 1.00 0.00 C ATOM 1599 C GLU A 102 -12.379 8.221 1.188 1.00 0.00 C ATOM 1600 O GLU A 102 -12.570 9.334 0.691 1.00 0.00 O ATOM 1601 CB GLU A 102 -13.461 7.372 3.321 1.00 0.00 C ATOM 1602 CG GLU A 102 -13.549 8.727 4.007 1.00 0.00 C ATOM 1603 CD GLU A 102 -12.245 9.510 4.017 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -11.182 8.926 3.729 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -12.280 10.707 4.374 1.00 0.00 O ATOM 0 H GLU A 102 -13.424 5.334 1.970 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.457 7.921 1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.271 6.742 3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.527 6.893 3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -14.314 9.324 3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -13.879 8.580 5.035 1.00 0.00 H new ATOM 1612 N THR A 103 -11.198 7.631 1.217 1.00 0.00 N ATOM 1613 CA THR A 103 -10.005 8.249 0.667 1.00 0.00 C ATOM 1614 C THR A 103 -10.041 8.327 -0.850 1.00 0.00 C ATOM 1615 O THR A 103 -9.699 9.347 -1.445 1.00 0.00 O ATOM 1616 CB THR A 103 -8.772 7.479 1.125 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.659 7.581 2.549 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.528 8.014 0.463 1.00 0.00 C ATOM 0 H THR A 103 -11.039 6.709 1.623 1.00 0.00 H new ATOM 0 HA THR A 103 -9.963 9.273 1.038 1.00 0.00 H new ATOM 0 HB THR A 103 -8.879 6.433 0.839 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.433 8.066 2.905 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.662 7.448 0.806 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.621 7.916 -0.619 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.401 9.065 0.722 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.411 7.243 -1.475 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.435 7.178 -2.910 1.00 0.00 C ATOM 1628 C ALA A 104 -11.405 8.195 -3.482 1.00 0.00 C ATOM 1629 O ALA A 104 -11.086 8.863 -4.445 1.00 0.00 O ATOM 1630 CB ALA A 104 -10.776 5.781 -3.361 1.00 0.00 C ATOM 0 H ALA A 104 -10.703 6.385 -1.007 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.443 7.425 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.791 5.744 -4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.027 5.084 -2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.757 5.503 -2.975 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.577 8.326 -2.872 1.00 0.00 N ATOM 1637 CA ALA A 105 -13.574 9.290 -3.332 1.00 0.00 C ATOM 1638 C ALA A 105 -13.101 10.731 -3.151 1.00 0.00 C ATOM 1639 O ALA A 105 -13.394 11.596 -3.973 1.00 0.00 O ATOM 1640 CB ALA A 105 -14.904 9.080 -2.631 1.00 0.00 C ATOM 0 H ALA A 105 -12.862 7.779 -2.059 1.00 0.00 H new ATOM 0 HA ALA A 105 -13.712 9.117 -4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -15.626 9.812 -2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.270 8.075 -2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.772 9.203 -1.556 1.00 0.00 H new ATOM 1646 N LYS A 106 -12.399 11.009 -2.060 1.00 0.00 N ATOM 1647 CA LYS A 106 -11.936 12.367 -1.808 1.00 0.00 C ATOM 1648 C LYS A 106 -10.835 12.762 -2.800 1.00 0.00 C ATOM 1649 O LYS A 106 -10.739 13.928 -3.181 1.00 0.00 O ATOM 1650 CB LYS A 106 -11.545 12.581 -0.325 1.00 0.00 C ATOM 1651 CG LYS A 106 -10.438 11.684 0.201 1.00 0.00 C ATOM 1652 CD LYS A 106 -9.058 12.182 -0.184 1.00 0.00 C ATOM 1653 CE LYS A 106 -8.665 13.428 0.588 1.00 0.00 C ATOM 1654 NZ LYS A 106 -8.475 13.135 2.036 1.00 0.00 N ATOM 0 H LYS A 106 -12.141 10.326 -1.347 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.767 13.050 -1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.239 13.619 -0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.432 12.431 0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.509 11.622 1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.578 10.674 -0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.325 11.396 -0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.035 12.396 -1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.744 13.838 0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.435 14.190 0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.926 13.901 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.403 13.064 2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.964 12.236 2.144 1.00 0.00 H new ATOM 1668 N TYR A 107 -10.094 11.777 -3.324 1.00 0.00 N ATOM 1669 CA TYR A 107 -9.132 12.064 -4.392 1.00 0.00 C ATOM 1670 C TYR A 107 -9.764 11.897 -5.778 1.00 0.00 C ATOM 1671 O TYR A 107 -9.698 12.794 -6.616 1.00 0.00 O ATOM 1672 CB TYR A 107 -7.893 11.164 -4.301 1.00 0.00 C ATOM 1673 CG TYR A 107 -7.025 11.387 -3.083 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -6.141 12.454 -3.038 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -7.051 10.511 -1.998 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -5.318 12.652 -1.950 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -6.236 10.707 -0.912 1.00 0.00 C ATOM 1678 CZ TYR A 107 -5.370 11.778 -0.888 1.00 0.00 C ATOM 1679 OH TYR A 107 -4.555 11.978 0.197 1.00 0.00 O ATOM 0 H TYR A 107 -10.140 10.800 -3.035 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.828 13.102 -4.256 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.218 10.124 -4.311 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.286 11.317 -5.193 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.096 13.142 -3.869 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -7.723 9.666 -2.013 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.636 13.489 -1.931 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -6.273 10.023 -0.077 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.381 12.937 0.303 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.436 10.773 -5.979 1.00 0.00 N ATOM 1690 CA LYS A 108 -11.158 10.502 -7.214 1.00 0.00 C ATOM 1691 C LYS A 108 -12.592 10.975 -7.065 1.00 0.00 C ATOM 1692 O LYS A 108 -13.356 10.383 -6.305 1.00 0.00 O ATOM 1693 CB LYS A 108 -11.185 9.009 -7.499 1.00 0.00 C ATOM 1694 CG LYS A 108 -9.825 8.329 -7.538 1.00 0.00 C ATOM 1695 CD LYS A 108 -9.997 6.821 -7.644 1.00 0.00 C ATOM 1696 CE LYS A 108 -10.902 6.326 -6.529 1.00 0.00 C ATOM 1697 NZ LYS A 108 -11.090 4.849 -6.523 1.00 0.00 N ATOM 0 H LYS A 108 -10.496 10.023 -5.291 1.00 0.00 H new ATOM 0 HA LYS A 108 -10.656 11.022 -8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.795 8.522 -6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -11.681 8.848 -8.456 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.250 8.698 -8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -9.260 8.576 -6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -10.424 6.562 -8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.026 6.330 -7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -10.485 6.634 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.876 6.807 -6.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -11.808 4.593 -5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -11.404 4.535 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -10.190 4.385 -6.286 1.00 0.00 H new ATOM 1711 N SER A 109 -12.961 12.027 -7.764 1.00 0.00 N ATOM 1712 CA SER A 109 -14.310 12.548 -7.649 1.00 0.00 C ATOM 1713 C SER A 109 -15.339 11.511 -8.091 1.00 0.00 C ATOM 1714 O SER A 109 -15.319 11.038 -9.230 1.00 0.00 O ATOM 1715 CB SER A 109 -14.455 13.816 -8.477 1.00 0.00 C ATOM 1716 OG SER A 109 -13.477 14.776 -8.107 1.00 0.00 O ATOM 0 H SER A 109 -12.356 12.534 -8.410 1.00 0.00 H new ATOM 0 HA SER A 109 -14.494 12.783 -6.601 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.354 13.577 -9.536 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.452 14.234 -8.338 1.00 0.00 H new ATOM 0 HG SER A 109 -13.587 15.582 -8.653 1.00 0.00 H new ATOM 1722 N GLU A 110 -16.283 11.252 -7.198 1.00 0.00 N ATOM 1723 CA GLU A 110 -17.414 10.371 -7.464 1.00 0.00 C ATOM 1724 C GLU A 110 -16.972 8.974 -7.915 1.00 0.00 C ATOM 1725 O GLU A 110 -17.551 8.395 -8.834 1.00 0.00 O ATOM 1726 CB GLU A 110 -18.331 11.022 -8.497 1.00 0.00 C ATOM 1727 CG GLU A 110 -18.863 12.374 -8.043 1.00 0.00 C ATOM 1728 CD GLU A 110 -19.761 13.027 -9.068 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -20.807 12.436 -9.409 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -19.424 14.132 -9.541 1.00 0.00 O ATOM 0 H GLU A 110 -16.287 11.651 -6.259 1.00 0.00 H new ATOM 0 HA GLU A 110 -17.962 10.230 -6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -17.786 11.146 -9.433 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -19.170 10.357 -8.702 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -19.415 12.247 -7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -18.024 13.036 -7.829 1.00 0.00 H new ATOM 1737 N GLU A 111 -15.986 8.416 -7.213 1.00 0.00 N ATOM 1738 CA GLU A 111 -15.504 7.053 -7.470 1.00 0.00 C ATOM 1739 C GLU A 111 -15.628 6.175 -6.218 1.00 0.00 C ATOM 1740 O GLU A 111 -14.615 5.809 -5.631 1.00 0.00 O ATOM 1741 CB GLU A 111 -14.040 7.072 -7.935 1.00 0.00 C ATOM 1742 CG GLU A 111 -13.819 7.723 -9.296 1.00 0.00 C ATOM 1743 CD GLU A 111 -14.436 6.941 -10.440 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -15.673 6.786 -10.480 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -13.678 6.463 -11.312 1.00 0.00 O ATOM 0 H GLU A 111 -15.499 8.891 -6.453 1.00 0.00 H new ATOM 0 HA GLU A 111 -16.127 6.631 -8.259 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.443 7.600 -7.192 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -13.670 6.047 -7.972 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.240 8.728 -9.283 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.748 7.828 -9.472 1.00 0.00 H new ATOM 1752 N PRO A 112 -16.855 5.857 -5.756 1.00 0.00 N ATOM 1753 CA PRO A 112 -17.040 5.053 -4.541 1.00 0.00 C ATOM 1754 C PRO A 112 -16.488 3.631 -4.691 1.00 0.00 C ATOM 1755 O PRO A 112 -16.926 2.864 -5.550 1.00 0.00 O ATOM 1756 CB PRO A 112 -18.563 5.016 -4.352 1.00 0.00 C ATOM 1757 CG PRO A 112 -19.085 6.140 -5.178 1.00 0.00 C ATOM 1758 CD PRO A 112 -18.138 6.268 -6.336 1.00 0.00 C ATOM 0 HA PRO A 112 -16.505 5.481 -3.693 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -18.977 4.062 -4.678 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.833 5.139 -3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.099 5.935 -5.522 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.125 7.064 -4.601 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -18.429 5.627 -7.169 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -18.101 7.289 -6.717 1.00 0.00 H new ATOM 1766 N ASP A 113 -15.476 3.324 -3.891 1.00 0.00 N ATOM 1767 CA ASP A 113 -14.780 2.039 -3.961 1.00 0.00 C ATOM 1768 C ASP A 113 -15.550 0.897 -3.317 1.00 0.00 C ATOM 1769 O ASP A 113 -15.757 -0.144 -3.942 1.00 0.00 O ATOM 1770 CB ASP A 113 -13.414 2.169 -3.294 1.00 0.00 C ATOM 1771 CG ASP A 113 -12.426 2.930 -4.147 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -12.732 4.060 -4.553 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -11.328 2.401 -4.406 1.00 0.00 O ATOM 0 H ASP A 113 -15.112 3.954 -3.176 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.679 1.792 -5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -13.528 2.675 -2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.019 1.175 -3.085 1.00 0.00 H new ATOM 1778 N ALA A 114 -15.845 1.034 -2.031 1.00 0.00 N ATOM 1779 CA ALA A 114 -16.443 -0.056 -1.271 1.00 0.00 C ATOM 1780 C ALA A 114 -17.865 -0.339 -1.716 1.00 0.00 C ATOM 1781 O ALA A 114 -18.206 -1.464 -2.069 1.00 0.00 O ATOM 1782 CB ALA A 114 -16.429 0.268 0.216 1.00 0.00 C ATOM 0 H ALA A 114 -15.681 1.885 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 114 -15.846 -0.949 -1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -16.879 -0.555 0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.401 0.411 0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -16.998 1.180 0.395 1.00 0.00 H new ATOM 1788 N GLU A 115 -18.700 0.675 -1.632 1.00 0.00 N ATOM 1789 CA GLU A 115 -20.104 0.539 -1.948 1.00 0.00 C ATOM 1790 C GLU A 115 -20.692 1.924 -2.143 1.00 0.00 C ATOM 1791 O GLU A 115 -21.452 2.124 -3.112 1.00 0.00 O ATOM 1792 CB GLU A 115 -20.802 -0.258 -0.824 1.00 0.00 C ATOM 1793 CG GLU A 115 -22.300 -0.470 -1.006 1.00 0.00 C ATOM 1794 CD GLU A 115 -23.149 0.663 -0.459 1.00 0.00 C ATOM 1795 OE1 GLU A 115 -22.609 1.539 0.252 1.00 0.00 O ATOM 1796 OE2 GLU A 115 -24.380 0.643 -0.684 1.00 0.00 O ATOM 1797 OXT GLU A 115 -20.342 2.825 -1.349 1.00 0.00 O ATOM 0 H GLU A 115 -18.425 1.614 -1.343 1.00 0.00 H new ATOM 0 HA GLU A 115 -20.253 -0.017 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.322 -1.233 -0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.638 0.260 0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -22.514 -0.592 -2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -22.589 -1.399 -0.514 1.00 0.00 H new TER 1804 GLU A 115