USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 896 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 Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ -145:sc= -0.463 (180deg=-1.47) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 162:sc= -0.183 (180deg=-0.697) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 13 THR OG1 : rot 180:sc=-0.00692 USER MOD Single : C 16 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : C 21 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0655) USER MOD Single : C 35 CYS SG : rot 180:sc= 0 USER MOD Single : C 37 SER OG : rot 180:sc= 0.344 USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 164:sc=-0.00766 (180deg=-0.273) USER MOD Single : C 45 MET CE :methyl 173:sc= -0.0202 (180deg=-0.0996) USER MOD Single : C 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 50 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.9) USER MOD Single : C 51 ASN : amide:sc= -0.878 K(o=-0.88,f=0.2) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.396 USER MOD Single : C 58 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.39) USER MOD Single : C 60 MET CE :methyl -150:sc= -0.211 (180deg=-1.44!) USER MOD Single : C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 80 MET CE :methyl 143:sc= 0 (180deg=-0.0131) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot -50:sc= -0.586! USER MOD Single : C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 86 LYS NZ :NH3+ -164:sc= -0.0319 (180deg=-0.377) USER MOD Single : C 89 SER OG : rot -76:sc= 0.693 USER MOD Single : I 149 SER OG : rot 180:sc= 0 USER MOD Single : I 153 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 154 MET CE :methyl 174:sc= 0 (180deg=-0.0357) USER MOD Single : I 155 GLN : amide:sc= -0.0165 K(o=-0.016,f=-1.6!) USER MOD Single : I 162 HIS : no HD1:sc= -0.991 K(o=-0.99,f=-0.28) USER MOD Single : I 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 165 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 20.062 5.837 0.662 1.00 0.00 N ATOM 2 CA MET C 1 19.200 5.131 1.649 1.00 0.00 C ATOM 3 C MET C 1 19.900 5.108 3.005 1.00 0.00 C ATOM 4 O MET C 1 21.118 4.933 3.081 1.00 0.00 O ATOM 5 CB MET C 1 18.940 3.700 1.170 1.00 0.00 C ATOM 6 CG MET C 1 18.527 3.713 -0.303 1.00 0.00 C ATOM 7 SD MET C 1 17.008 4.678 -0.495 1.00 0.00 S ATOM 8 CE MET C 1 16.817 4.450 -2.279 1.00 0.00 C ATOM 0 H1 MET C 1 19.465 6.369 -0.003 1.00 0.00 H new ATOM 0 H2 MET C 1 20.695 6.494 1.161 1.00 0.00 H new ATOM 0 H3 MET C 1 20.630 5.142 0.137 1.00 0.00 H new ATOM 0 HA MET C 1 18.248 5.652 1.745 1.00 0.00 H new ATOM 0 HB2 MET C 1 19.837 3.095 1.300 1.00 0.00 H new ATOM 0 HB3 MET C 1 18.156 3.242 1.773 1.00 0.00 H new ATOM 0 HG2 MET C 1 19.323 4.143 -0.911 1.00 0.00 H new ATOM 0 HG3 MET C 1 18.370 2.694 -0.657 1.00 0.00 H new ATOM 0 HE1 MET C 1 15.923 4.973 -2.619 1.00 0.00 H new ATOM 0 HE2 MET C 1 17.690 4.852 -2.793 1.00 0.00 H new ATOM 0 HE3 MET C 1 16.723 3.387 -2.502 1.00 0.00 H new ATOM 20 N ASP C 2 19.124 5.283 4.069 1.00 0.00 N ATOM 21 CA ASP C 2 19.679 5.282 5.418 1.00 0.00 C ATOM 22 C ASP C 2 20.290 3.923 5.742 1.00 0.00 C ATOM 23 O ASP C 2 21.156 3.810 6.611 1.00 0.00 O ATOM 24 CB ASP C 2 18.579 5.610 6.433 1.00 0.00 C ATOM 25 CG ASP C 2 17.400 4.660 6.251 1.00 0.00 C ATOM 26 OD1 ASP C 2 17.115 4.312 5.118 1.00 0.00 O ATOM 27 OD2 ASP C 2 16.799 4.295 7.248 1.00 0.00 O1- ATOM 0 H ASP C 2 18.115 5.427 4.025 1.00 0.00 H new ATOM 0 HA ASP C 2 20.461 6.040 5.474 1.00 0.00 H new ATOM 0 HB2 ASP C 2 18.971 5.526 7.446 1.00 0.00 H new ATOM 0 HB3 ASP C 2 18.249 6.641 6.304 1.00 0.00 H new ATOM 32 N ASP C 3 19.838 2.896 5.035 1.00 0.00 N ATOM 33 CA ASP C 3 20.350 1.549 5.248 1.00 0.00 C ATOM 34 C ASP C 3 21.844 1.484 4.932 1.00 0.00 C ATOM 35 O ASP C 3 22.605 0.809 5.623 1.00 0.00 O ATOM 36 CB ASP C 3 19.593 0.551 4.369 1.00 0.00 C ATOM 37 CG ASP C 3 20.008 -0.873 4.724 1.00 0.00 C ATOM 38 OD1 ASP C 3 21.035 -1.026 5.365 1.00 0.00 O ATOM 39 OD2 ASP C 3 19.292 -1.787 4.352 1.00 0.00 O1- ATOM 0 H ASP C 3 19.122 2.969 4.313 1.00 0.00 H new ATOM 0 HA ASP C 3 20.202 1.289 6.296 1.00 0.00 H new ATOM 0 HB2 ASP C 3 18.519 0.672 4.509 1.00 0.00 H new ATOM 0 HB3 ASP C 3 19.801 0.748 3.317 1.00 0.00 H new ATOM 44 N ILE C 4 22.252 2.184 3.876 1.00 0.00 N ATOM 45 CA ILE C 4 23.655 2.192 3.467 1.00 0.00 C ATOM 46 C ILE C 4 24.540 2.744 4.578 1.00 0.00 C ATOM 47 O ILE C 4 25.590 2.184 4.886 1.00 0.00 O ATOM 48 CB ILE C 4 23.820 3.055 2.216 1.00 0.00 C ATOM 49 CG1 ILE C 4 23.138 2.366 1.032 1.00 0.00 C ATOM 50 CG2 ILE C 4 25.308 3.239 1.911 1.00 0.00 C ATOM 51 CD1 ILE C 4 23.037 3.340 -0.146 1.00 0.00 C ATOM 0 H ILE C 4 21.636 2.749 3.291 1.00 0.00 H new ATOM 0 HA ILE C 4 23.957 1.166 3.255 1.00 0.00 H new ATOM 0 HB ILE C 4 23.363 4.030 2.385 1.00 0.00 H new ATOM 0 HG12 ILE C 4 23.704 1.482 0.738 1.00 0.00 H new ATOM 0 HG13 ILE C 4 22.144 2.026 1.321 1.00 0.00 H new ATOM 0 HG21 ILE C 4 25.423 3.854 1.019 1.00 0.00 H new ATOM 0 HG22 ILE C 4 25.795 3.728 2.755 1.00 0.00 H new ATOM 0 HG23 ILE C 4 25.768 2.265 1.742 1.00 0.00 H new ATOM 0 HD11 ILE C 4 22.551 2.845 -0.987 1.00 0.00 H new ATOM 0 HD12 ILE C 4 22.452 4.210 0.151 1.00 0.00 H new ATOM 0 HD13 ILE C 4 24.037 3.659 -0.441 1.00 0.00 H new ATOM 63 N TYR C 5 24.103 3.841 5.179 1.00 0.00 N ATOM 64 CA TYR C 5 24.857 4.465 6.257 1.00 0.00 C ATOM 65 C TYR C 5 24.921 3.533 7.460 1.00 0.00 C ATOM 66 O TYR C 5 25.968 3.380 8.086 1.00 0.00 O ATOM 67 CB TYR C 5 24.199 5.788 6.662 1.00 0.00 C ATOM 68 CG TYR C 5 24.449 6.827 5.594 1.00 0.00 C ATOM 69 CD1 TYR C 5 23.577 6.935 4.502 1.00 0.00 C ATOM 70 CD2 TYR C 5 25.552 7.682 5.693 1.00 0.00 C ATOM 71 CE1 TYR C 5 23.810 7.898 3.513 1.00 0.00 C ATOM 72 CE2 TYR C 5 25.785 8.645 4.706 1.00 0.00 C ATOM 73 CZ TYR C 5 24.916 8.753 3.614 1.00 0.00 C ATOM 74 OH TYR C 5 25.146 9.701 2.639 1.00 0.00 O ATOM 0 H TYR C 5 23.233 4.316 4.940 1.00 0.00 H new ATOM 0 HA TYR C 5 25.870 4.663 5.906 1.00 0.00 H new ATOM 0 HB2 TYR C 5 23.127 5.645 6.801 1.00 0.00 H new ATOM 0 HB3 TYR C 5 24.601 6.129 7.616 1.00 0.00 H new ATOM 0 HD1 TYR C 5 22.725 6.275 4.424 1.00 0.00 H new ATOM 0 HD2 TYR C 5 26.225 7.598 6.533 1.00 0.00 H new ATOM 0 HE1 TYR C 5 23.137 7.982 2.672 1.00 0.00 H new ATOM 0 HE2 TYR C 5 26.636 9.306 4.786 1.00 0.00 H new ATOM 0 HH TYR C 5 25.953 10.211 2.862 1.00 0.00 H new ATOM 84 N LYS C 6 23.795 2.902 7.770 1.00 0.00 N ATOM 85 CA LYS C 6 23.741 1.977 8.894 1.00 0.00 C ATOM 86 C LYS C 6 24.664 0.789 8.656 1.00 0.00 C ATOM 87 O LYS C 6 25.391 0.363 9.556 1.00 0.00 O ATOM 88 CB LYS C 6 22.309 1.477 9.077 1.00 0.00 C ATOM 89 CG LYS C 6 21.456 2.590 9.691 1.00 0.00 C ATOM 90 CD LYS C 6 19.964 2.300 9.481 1.00 0.00 C ATOM 91 CE LYS C 6 19.568 1.001 10.191 1.00 0.00 C ATOM 92 NZ LYS C 6 19.963 1.081 11.624 1.00 0.00 N1+ ATOM 0 H LYS C 6 22.916 3.012 7.265 1.00 0.00 H new ATOM 0 HA LYS C 6 24.068 2.502 9.792 1.00 0.00 H new ATOM 0 HB2 LYS C 6 21.893 1.173 8.117 1.00 0.00 H new ATOM 0 HB3 LYS C 6 22.299 0.598 9.722 1.00 0.00 H new ATOM 0 HG2 LYS C 6 21.670 2.675 10.756 1.00 0.00 H new ATOM 0 HG3 LYS C 6 21.714 3.547 9.237 1.00 0.00 H new ATOM 0 HD2 LYS C 6 19.368 3.128 9.865 1.00 0.00 H new ATOM 0 HD3 LYS C 6 19.749 2.220 8.415 1.00 0.00 H new ATOM 0 HE2 LYS C 6 18.493 0.841 10.107 1.00 0.00 H new ATOM 0 HE3 LYS C 6 20.055 0.150 9.715 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 19.443 0.364 12.168 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 20.985 0.909 11.713 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 19.738 2.027 11.994 1.00 0.00 H new ATOM 106 N ALA C 7 24.638 0.271 7.435 1.00 0.00 N ATOM 107 CA ALA C 7 25.484 -0.857 7.080 1.00 0.00 C ATOM 108 C ALA C 7 26.943 -0.456 7.165 1.00 0.00 C ATOM 109 O ALA C 7 27.789 -1.234 7.608 1.00 0.00 O ATOM 110 CB ALA C 7 25.159 -1.338 5.663 1.00 0.00 C ATOM 0 H ALA C 7 24.044 0.612 6.679 1.00 0.00 H new ATOM 0 HA ALA C 7 25.295 -1.671 7.780 1.00 0.00 H new ATOM 0 HB1 ALA C 7 25.799 -2.183 5.410 1.00 0.00 H new ATOM 0 HB2 ALA C 7 24.115 -1.647 5.614 1.00 0.00 H new ATOM 0 HB3 ALA C 7 25.331 -0.527 4.955 1.00 0.00 H new ATOM 116 N ALA C 8 27.240 0.764 6.738 1.00 0.00 N ATOM 117 CA ALA C 8 28.613 1.239 6.777 1.00 0.00 C ATOM 118 C ALA C 8 29.111 1.310 8.213 1.00 0.00 C ATOM 119 O ALA C 8 30.245 0.936 8.510 1.00 0.00 O ATOM 120 CB ALA C 8 28.713 2.613 6.116 1.00 0.00 C ATOM 0 H ALA C 8 26.562 1.430 6.368 1.00 0.00 H new ATOM 0 HA ALA C 8 29.239 0.536 6.227 1.00 0.00 H new ATOM 0 HB1 ALA C 8 29.746 2.959 6.151 1.00 0.00 H new ATOM 0 HB2 ALA C 8 28.389 2.542 5.078 1.00 0.00 H new ATOM 0 HB3 ALA C 8 28.075 3.320 6.647 1.00 0.00 H new ATOM 126 N VAL C 9 28.252 1.795 9.099 1.00 0.00 N ATOM 127 CA VAL C 9 28.606 1.917 10.505 1.00 0.00 C ATOM 128 C VAL C 9 28.892 0.546 11.115 1.00 0.00 C ATOM 129 O VAL C 9 29.901 0.356 11.794 1.00 0.00 O ATOM 130 CB VAL C 9 27.454 2.580 11.251 1.00 0.00 C ATOM 131 CG1 VAL C 9 27.721 2.526 12.755 1.00 0.00 C ATOM 132 CG2 VAL C 9 27.332 4.040 10.809 1.00 0.00 C ATOM 0 H VAL C 9 27.309 2.109 8.870 1.00 0.00 H new ATOM 0 HA VAL C 9 29.507 2.524 10.591 1.00 0.00 H new ATOM 0 HB VAL C 9 26.527 2.053 11.027 1.00 0.00 H new ATOM 0 HG11 VAL C 9 26.897 3.000 13.288 1.00 0.00 H new ATOM 0 HG12 VAL C 9 27.808 1.487 13.072 1.00 0.00 H new ATOM 0 HG13 VAL C 9 28.649 3.052 12.979 1.00 0.00 H new ATOM 0 HG21 VAL C 9 26.508 4.514 11.343 1.00 0.00 H new ATOM 0 HG22 VAL C 9 28.260 4.567 11.033 1.00 0.00 H new ATOM 0 HG23 VAL C 9 27.141 4.081 9.737 1.00 0.00 H new ATOM 142 N GLU C 10 27.996 -0.402 10.866 1.00 0.00 N ATOM 143 CA GLU C 10 28.156 -1.755 11.389 1.00 0.00 C ATOM 144 C GLU C 10 29.329 -2.458 10.718 1.00 0.00 C ATOM 145 O GLU C 10 30.048 -3.233 11.349 1.00 0.00 O ATOM 146 CB GLU C 10 26.874 -2.561 11.169 1.00 0.00 C ATOM 147 CG GLU C 10 25.763 -1.993 12.054 1.00 0.00 C ATOM 148 CD GLU C 10 24.475 -2.782 11.846 1.00 0.00 C ATOM 149 OE1 GLU C 10 24.564 -3.983 11.651 1.00 0.00 O ATOM 150 OE2 GLU C 10 23.419 -2.173 11.884 1.00 0.00 O1- ATOM 0 H GLU C 10 27.154 -0.261 10.308 1.00 0.00 H new ATOM 0 HA GLU C 10 28.357 -1.686 12.458 1.00 0.00 H new ATOM 0 HB2 GLU C 10 26.578 -2.517 10.121 1.00 0.00 H new ATOM 0 HB3 GLU C 10 27.045 -3.611 11.408 1.00 0.00 H new ATOM 0 HG2 GLU C 10 26.062 -2.039 13.101 1.00 0.00 H new ATOM 0 HG3 GLU C 10 25.598 -0.942 11.815 1.00 0.00 H new ATOM 157 N GLN C 11 29.507 -2.190 9.427 1.00 0.00 N ATOM 158 CA GLN C 11 30.586 -2.812 8.666 1.00 0.00 C ATOM 159 C GLN C 11 31.942 -2.394 9.220 1.00 0.00 C ATOM 160 O GLN C 11 32.873 -3.197 9.285 1.00 0.00 O ATOM 161 CB GLN C 11 30.473 -2.433 7.187 1.00 0.00 C ATOM 162 CG GLN C 11 31.569 -3.143 6.392 1.00 0.00 C ATOM 163 CD GLN C 11 31.274 -3.044 4.898 1.00 0.00 C ATOM 164 OE1 GLN C 11 30.490 -3.831 4.368 1.00 0.00 O ATOM 165 NE2 GLN C 11 31.849 -2.114 4.188 1.00 0.00 N ATOM 0 H GLN C 11 28.922 -1.551 8.889 1.00 0.00 H new ATOM 0 HA GLN C 11 30.498 -3.894 8.758 1.00 0.00 H new ATOM 0 HB2 GLN C 11 29.492 -2.713 6.803 1.00 0.00 H new ATOM 0 HB3 GLN C 11 30.565 -1.353 7.069 1.00 0.00 H new ATOM 0 HG2 GLN C 11 32.538 -2.694 6.611 1.00 0.00 H new ATOM 0 HG3 GLN C 11 31.628 -4.189 6.691 1.00 0.00 H new ATOM 0 HE21 GLN C 11 32.498 -1.463 4.630 1.00 0.00 H new ATOM 0 HE22 GLN C 11 31.650 -2.037 3.191 1.00 0.00 H new ATOM 174 N LEU C 12 32.045 -1.137 9.622 1.00 0.00 N ATOM 175 CA LEU C 12 33.286 -0.615 10.176 1.00 0.00 C ATOM 176 C LEU C 12 33.743 -1.448 11.365 1.00 0.00 C ATOM 177 O LEU C 12 32.928 -1.992 12.111 1.00 0.00 O ATOM 178 CB LEU C 12 33.069 0.829 10.616 1.00 0.00 C ATOM 179 CG LEU C 12 33.148 1.753 9.400 1.00 0.00 C ATOM 180 CD1 LEU C 12 32.418 3.055 9.707 1.00 0.00 C ATOM 181 CD2 LEU C 12 34.611 2.076 9.077 1.00 0.00 C ATOM 0 H LEU C 12 31.285 -0.459 9.575 1.00 0.00 H new ATOM 0 HA LEU C 12 34.059 -0.661 9.409 1.00 0.00 H new ATOM 0 HB2 LEU C 12 32.098 0.930 11.100 1.00 0.00 H new ATOM 0 HB3 LEU C 12 33.822 1.113 11.351 1.00 0.00 H new ATOM 0 HG LEU C 12 32.688 1.253 8.548 1.00 0.00 H new ATOM 0 HD11 LEU C 12 32.473 3.716 8.842 1.00 0.00 H new ATOM 0 HD12 LEU C 12 31.374 2.842 9.935 1.00 0.00 H new ATOM 0 HD13 LEU C 12 32.885 3.540 10.564 1.00 0.00 H new ATOM 0 HD21 LEU C 12 34.655 2.734 8.210 1.00 0.00 H new ATOM 0 HD22 LEU C 12 35.072 2.571 9.932 1.00 0.00 H new ATOM 0 HD23 LEU C 12 35.148 1.153 8.859 1.00 0.00 H new ATOM 193 N THR C 13 35.056 -1.544 11.525 1.00 0.00 N ATOM 194 CA THR C 13 35.636 -2.311 12.614 1.00 0.00 C ATOM 195 C THR C 13 35.469 -1.578 13.930 1.00 0.00 C ATOM 196 O THR C 13 35.158 -0.388 13.961 1.00 0.00 O ATOM 197 CB THR C 13 37.120 -2.558 12.358 1.00 0.00 C ATOM 198 OG1 THR C 13 37.813 -1.320 12.344 1.00 0.00 O ATOM 199 CG2 THR C 13 37.294 -3.254 11.012 1.00 0.00 C ATOM 0 H THR C 13 35.739 -1.099 10.912 1.00 0.00 H new ATOM 0 HA THR C 13 35.115 -3.267 12.669 1.00 0.00 H new ATOM 0 HB THR C 13 37.524 -3.189 13.149 1.00 0.00 H new ATOM 0 HG1 THR C 13 38.766 -1.480 12.181 1.00 0.00 H new ATOM 0 HG21 THR C 13 38.354 -3.431 10.828 1.00 0.00 H new ATOM 0 HG22 THR C 13 36.764 -4.206 11.024 1.00 0.00 H new ATOM 0 HG23 THR C 13 36.889 -2.623 10.221 1.00 0.00 H new ATOM 207 N GLU C 14 35.681 -2.304 15.016 1.00 0.00 N ATOM 208 CA GLU C 14 35.555 -1.724 16.343 1.00 0.00 C ATOM 209 C GLU C 14 36.581 -0.622 16.533 1.00 0.00 C ATOM 210 O GLU C 14 36.304 0.406 17.150 1.00 0.00 O ATOM 211 CB GLU C 14 35.738 -2.806 17.417 1.00 0.00 C ATOM 212 CG GLU C 14 34.534 -3.759 17.407 1.00 0.00 C ATOM 213 CD GLU C 14 34.629 -4.726 16.230 1.00 0.00 C ATOM 214 OE1 GLU C 14 35.687 -4.796 15.626 1.00 0.00 O ATOM 215 OE2 GLU C 14 33.640 -5.380 15.946 1.00 0.00 O1- ATOM 0 H GLU C 14 35.940 -3.291 15.005 1.00 0.00 H new ATOM 0 HA GLU C 14 34.557 -1.297 16.443 1.00 0.00 H new ATOM 0 HB2 GLU C 14 36.656 -3.364 17.232 1.00 0.00 H new ATOM 0 HB3 GLU C 14 35.839 -2.343 18.399 1.00 0.00 H new ATOM 0 HG2 GLU C 14 34.497 -4.317 18.342 1.00 0.00 H new ATOM 0 HG3 GLU C 14 33.609 -3.186 17.341 1.00 0.00 H new ATOM 222 N GLU C 15 37.766 -0.849 16.001 1.00 0.00 N ATOM 223 CA GLU C 15 38.837 0.129 16.122 1.00 0.00 C ATOM 224 C GLU C 15 38.474 1.416 15.387 1.00 0.00 C ATOM 225 O GLU C 15 38.721 2.514 15.886 1.00 0.00 O ATOM 226 CB GLU C 15 40.133 -0.440 15.543 1.00 0.00 C ATOM 227 CG GLU C 15 40.596 -1.633 16.385 1.00 0.00 C ATOM 228 CD GLU C 15 41.020 -1.168 17.774 1.00 0.00 C ATOM 229 OE1 GLU C 15 41.327 0.004 17.918 1.00 0.00 O ATOM 230 OE2 GLU C 15 41.033 -1.992 18.674 1.00 0.00 O1- ATOM 0 H GLU C 15 38.013 -1.693 15.485 1.00 0.00 H new ATOM 0 HA GLU C 15 38.979 0.354 17.179 1.00 0.00 H new ATOM 0 HB2 GLU C 15 39.975 -0.751 14.510 1.00 0.00 H new ATOM 0 HB3 GLU C 15 40.905 0.329 15.530 1.00 0.00 H new ATOM 0 HG2 GLU C 15 39.790 -2.362 16.469 1.00 0.00 H new ATOM 0 HG3 GLU C 15 41.429 -2.134 15.892 1.00 0.00 H new ATOM 237 N GLN C 16 37.880 1.280 14.203 1.00 0.00 N ATOM 238 CA GLN C 16 37.490 2.450 13.425 1.00 0.00 C ATOM 239 C GLN C 16 36.448 3.267 14.182 1.00 0.00 C ATOM 240 O GLN C 16 36.533 4.493 14.257 1.00 0.00 O ATOM 241 CB GLN C 16 36.921 1.997 12.077 1.00 0.00 C ATOM 242 CG GLN C 16 38.059 1.496 11.183 1.00 0.00 C ATOM 243 CD GLN C 16 38.361 2.529 10.102 1.00 0.00 C ATOM 244 OE1 GLN C 16 37.812 2.452 9.003 1.00 0.00 O ATOM 245 NE2 GLN C 16 39.196 3.501 10.350 1.00 0.00 N ATOM 0 H GLN C 16 37.661 0.384 13.768 1.00 0.00 H new ATOM 0 HA GLN C 16 38.366 3.076 13.258 1.00 0.00 H new ATOM 0 HB2 GLN C 16 36.188 1.205 12.228 1.00 0.00 H new ATOM 0 HB3 GLN C 16 36.402 2.824 11.593 1.00 0.00 H new ATOM 0 HG2 GLN C 16 38.951 1.312 11.783 1.00 0.00 H new ATOM 0 HG3 GLN C 16 37.782 0.547 10.724 1.00 0.00 H new ATOM 0 HE21 GLN C 16 39.650 3.563 11.261 1.00 0.00 H new ATOM 0 HE22 GLN C 16 39.394 4.198 9.633 1.00 0.00 H new ATOM 254 N LYS C 17 35.478 2.575 14.765 1.00 0.00 N ATOM 255 CA LYS C 17 34.437 3.237 15.539 1.00 0.00 C ATOM 256 C LYS C 17 35.023 3.859 16.790 1.00 0.00 C ATOM 257 O LYS C 17 34.613 4.940 17.214 1.00 0.00 O ATOM 258 CB LYS C 17 33.332 2.245 15.914 1.00 0.00 C ATOM 259 CG LYS C 17 32.552 1.853 14.653 1.00 0.00 C ATOM 260 CD LYS C 17 31.309 1.027 15.023 1.00 0.00 C ATOM 261 CE LYS C 17 31.720 -0.361 15.526 1.00 0.00 C ATOM 262 NZ LYS C 17 30.504 -1.213 15.674 1.00 0.00 N1+ ATOM 0 H LYS C 17 35.390 1.560 14.717 1.00 0.00 H new ATOM 0 HA LYS C 17 34.004 4.026 14.924 1.00 0.00 H new ATOM 0 HB2 LYS C 17 33.765 1.359 16.377 1.00 0.00 H new ATOM 0 HB3 LYS C 17 32.660 2.692 16.647 1.00 0.00 H new ATOM 0 HG2 LYS C 17 32.252 2.750 14.111 1.00 0.00 H new ATOM 0 HG3 LYS C 17 33.193 1.277 13.986 1.00 0.00 H new ATOM 0 HD2 LYS C 17 30.736 1.545 15.792 1.00 0.00 H new ATOM 0 HD3 LYS C 17 30.658 0.928 14.154 1.00 0.00 H new ATOM 0 HE2 LYS C 17 32.418 -0.822 14.827 1.00 0.00 H new ATOM 0 HE3 LYS C 17 32.237 -0.276 16.482 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 30.780 -2.156 16.015 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 29.854 -0.774 16.357 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 30.029 -1.304 14.753 1.00 0.00 H new ATOM 276 N ASN C 18 35.976 3.174 17.388 1.00 0.00 N ATOM 277 CA ASN C 18 36.583 3.685 18.592 1.00 0.00 C ATOM 278 C ASN C 18 37.241 5.031 18.334 1.00 0.00 C ATOM 279 O ASN C 18 37.094 5.969 19.117 1.00 0.00 O ATOM 280 CB ASN C 18 37.615 2.689 19.111 1.00 0.00 C ATOM 281 CG ASN C 18 38.258 3.203 20.390 1.00 0.00 C ATOM 282 OD1 ASN C 18 37.588 3.793 21.238 1.00 0.00 O ATOM 283 ND2 ASN C 18 39.533 3.009 20.576 1.00 0.00 N ATOM 0 H ASN C 18 36.340 2.278 17.065 1.00 0.00 H new ATOM 0 HA ASN C 18 35.805 3.823 19.343 1.00 0.00 H new ATOM 0 HB2 ASN C 18 37.138 1.727 19.298 1.00 0.00 H new ATOM 0 HB3 ASN C 18 38.381 2.523 18.354 1.00 0.00 H new ATOM 0 HD21 ASN C 18 39.981 3.347 21.428 1.00 0.00 H new ATOM 0 HD22 ASN C 18 40.083 2.520 19.870 1.00 0.00 H new ATOM 290 N GLU C 19 37.960 5.128 17.226 1.00 0.00 N ATOM 291 CA GLU C 19 38.627 6.371 16.878 1.00 0.00 C ATOM 292 C GLU C 19 37.607 7.482 16.639 1.00 0.00 C ATOM 293 O GLU C 19 37.828 8.635 17.014 1.00 0.00 O ATOM 294 CB GLU C 19 39.479 6.170 15.626 1.00 0.00 C ATOM 295 CG GLU C 19 40.671 5.270 15.963 1.00 0.00 C ATOM 296 CD GLU C 19 41.518 5.039 14.716 1.00 0.00 C ATOM 297 OE1 GLU C 19 40.941 4.842 13.659 1.00 0.00 O ATOM 298 OE2 GLU C 19 42.732 5.068 14.835 1.00 0.00 O1- ATOM 0 H GLU C 19 38.095 4.368 16.559 1.00 0.00 H new ATOM 0 HA GLU C 19 39.269 6.664 17.709 1.00 0.00 H new ATOM 0 HB2 GLU C 19 38.881 5.719 14.834 1.00 0.00 H new ATOM 0 HB3 GLU C 19 39.829 7.132 15.253 1.00 0.00 H new ATOM 0 HG2 GLU C 19 41.276 5.731 16.744 1.00 0.00 H new ATOM 0 HG3 GLU C 19 40.318 4.316 16.355 1.00 0.00 H new ATOM 305 N PHE C 20 36.495 7.128 16.005 1.00 0.00 N ATOM 306 CA PHE C 20 35.449 8.103 15.710 1.00 0.00 C ATOM 307 C PHE C 20 34.890 8.686 17.003 1.00 0.00 C ATOM 308 O PHE C 20 34.689 9.894 17.119 1.00 0.00 O ATOM 309 CB PHE C 20 34.326 7.425 14.921 1.00 0.00 C ATOM 310 CG PHE C 20 34.631 7.496 13.441 1.00 0.00 C ATOM 311 CD1 PHE C 20 35.889 7.107 12.963 1.00 0.00 C ATOM 312 CD2 PHE C 20 33.654 7.950 12.546 1.00 0.00 C ATOM 313 CE1 PHE C 20 36.170 7.174 11.592 1.00 0.00 C ATOM 314 CE2 PHE C 20 33.936 8.015 11.176 1.00 0.00 C ATOM 315 CZ PHE C 20 35.193 7.629 10.699 1.00 0.00 C ATOM 0 H PHE C 20 36.294 6.180 15.687 1.00 0.00 H new ATOM 0 HA PHE C 20 35.875 8.912 15.116 1.00 0.00 H new ATOM 0 HB2 PHE C 20 34.226 6.385 15.232 1.00 0.00 H new ATOM 0 HB3 PHE C 20 33.374 7.914 15.130 1.00 0.00 H new ATOM 0 HD1 PHE C 20 36.643 6.755 13.652 1.00 0.00 H new ATOM 0 HD2 PHE C 20 32.683 8.250 12.912 1.00 0.00 H new ATOM 0 HE1 PHE C 20 37.140 6.875 11.224 1.00 0.00 H new ATOM 0 HE2 PHE C 20 33.182 8.364 10.486 1.00 0.00 H new ATOM 0 HZ PHE C 20 35.410 7.682 9.642 1.00 0.00 H new ATOM 325 N LYS C 21 34.660 7.819 17.977 1.00 0.00 N ATOM 326 CA LYS C 21 34.144 8.249 19.270 1.00 0.00 C ATOM 327 C LYS C 21 35.135 9.183 19.954 1.00 0.00 C ATOM 328 O LYS C 21 34.744 10.160 20.591 1.00 0.00 O ATOM 329 CB LYS C 21 33.874 7.037 20.162 1.00 0.00 C ATOM 330 CG LYS C 21 32.664 6.266 19.630 1.00 0.00 C ATOM 331 CD LYS C 21 32.470 4.989 20.452 1.00 0.00 C ATOM 332 CE LYS C 21 31.215 4.254 19.976 1.00 0.00 C ATOM 333 NZ LYS C 21 30.004 4.950 20.496 1.00 0.00 N1+ ATOM 0 H LYS C 21 34.822 6.815 17.898 1.00 0.00 H new ATOM 0 HA LYS C 21 33.209 8.785 19.106 1.00 0.00 H new ATOM 0 HB2 LYS C 21 34.749 6.388 20.185 1.00 0.00 H new ATOM 0 HB3 LYS C 21 33.690 7.361 21.186 1.00 0.00 H new ATOM 0 HG2 LYS C 21 31.770 6.887 19.687 1.00 0.00 H new ATOM 0 HG3 LYS C 21 32.812 6.016 18.579 1.00 0.00 H new ATOM 0 HD2 LYS C 21 33.342 4.343 20.349 1.00 0.00 H new ATOM 0 HD3 LYS C 21 32.379 5.236 21.510 1.00 0.00 H new ATOM 0 HE2 LYS C 21 31.190 4.223 18.887 1.00 0.00 H new ATOM 0 HE3 LYS C 21 31.231 3.221 20.324 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 29.166 4.356 20.334 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 30.114 5.123 21.516 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 29.886 5.857 20.001 1.00 0.00 H new ATOM 347 N ALA C 22 36.421 8.870 19.827 1.00 0.00 N ATOM 348 CA ALA C 22 37.454 9.692 20.449 1.00 0.00 C ATOM 349 C ALA C 22 37.400 11.115 19.909 1.00 0.00 C ATOM 350 O ALA C 22 37.480 12.082 20.668 1.00 0.00 O ATOM 351 CB ALA C 22 38.832 9.093 20.162 1.00 0.00 C ATOM 0 H ALA C 22 36.770 8.065 19.307 1.00 0.00 H new ATOM 0 HA ALA C 22 37.279 9.715 21.525 1.00 0.00 H new ATOM 0 HB1 ALA C 22 39.601 9.709 20.628 1.00 0.00 H new ATOM 0 HB2 ALA C 22 38.881 8.083 20.568 1.00 0.00 H new ATOM 0 HB3 ALA C 22 38.997 9.060 19.085 1.00 0.00 H new ATOM 357 N ALA C 23 37.244 11.241 18.596 1.00 0.00 N ATOM 358 CA ALA C 23 37.162 12.557 17.976 1.00 0.00 C ATOM 359 C ALA C 23 35.926 13.292 18.476 1.00 0.00 C ATOM 360 O ALA C 23 35.972 14.489 18.759 1.00 0.00 O ATOM 361 CB ALA C 23 37.099 12.415 16.454 1.00 0.00 C ATOM 0 H ALA C 23 37.173 10.457 17.947 1.00 0.00 H new ATOM 0 HA ALA C 23 38.050 13.129 18.245 1.00 0.00 H new ATOM 0 HB1 ALA C 23 37.038 13.403 15.999 1.00 0.00 H new ATOM 0 HB2 ALA C 23 37.995 11.907 16.099 1.00 0.00 H new ATOM 0 HB3 ALA C 23 36.219 11.834 16.179 1.00 0.00 H new ATOM 367 N PHE C 24 34.824 12.562 18.586 1.00 0.00 N ATOM 368 CA PHE C 24 33.575 13.146 19.055 1.00 0.00 C ATOM 369 C PHE C 24 33.735 13.671 20.480 1.00 0.00 C ATOM 370 O PHE C 24 33.282 14.768 20.796 1.00 0.00 O ATOM 371 CB PHE C 24 32.447 12.115 19.008 1.00 0.00 C ATOM 372 CG PHE C 24 31.145 12.783 19.393 1.00 0.00 C ATOM 373 CD1 PHE C 24 30.423 13.510 18.437 1.00 0.00 C ATOM 374 CD2 PHE C 24 30.658 12.676 20.702 1.00 0.00 C ATOM 375 CE1 PHE C 24 29.217 14.127 18.788 1.00 0.00 C ATOM 376 CE2 PHE C 24 29.450 13.295 21.053 1.00 0.00 C ATOM 377 CZ PHE C 24 28.730 14.019 20.096 1.00 0.00 C ATOM 0 H PHE C 24 34.769 11.569 18.358 1.00 0.00 H new ATOM 0 HA PHE C 24 33.320 13.976 18.396 1.00 0.00 H new ATOM 0 HB2 PHE C 24 32.369 11.689 18.008 1.00 0.00 H new ATOM 0 HB3 PHE C 24 32.662 11.292 19.689 1.00 0.00 H new ATOM 0 HD1 PHE C 24 30.798 13.594 17.428 1.00 0.00 H new ATOM 0 HD2 PHE C 24 31.213 12.117 21.441 1.00 0.00 H new ATOM 0 HE1 PHE C 24 28.662 14.687 18.050 1.00 0.00 H new ATOM 0 HE2 PHE C 24 29.075 13.213 22.062 1.00 0.00 H new ATOM 0 HZ PHE C 24 27.799 14.494 20.367 1.00 0.00 H new ATOM 387 N ASP C 25 34.375 12.870 21.334 1.00 0.00 N ATOM 388 CA ASP C 25 34.581 13.249 22.733 1.00 0.00 C ATOM 389 C ASP C 25 35.387 14.544 22.825 1.00 0.00 C ATOM 390 O ASP C 25 35.092 15.416 23.643 1.00 0.00 O ATOM 391 CB ASP C 25 35.325 12.122 23.461 1.00 0.00 C ATOM 392 CG ASP C 25 34.409 10.912 23.635 1.00 0.00 C ATOM 393 OD1 ASP C 25 33.205 11.085 23.542 1.00 0.00 O ATOM 394 OD2 ASP C 25 34.926 9.828 23.855 1.00 0.00 O1- ATOM 0 H ASP C 25 34.758 11.959 21.083 1.00 0.00 H new ATOM 0 HA ASP C 25 33.610 13.412 23.202 1.00 0.00 H new ATOM 0 HB2 ASP C 25 36.212 11.837 22.895 1.00 0.00 H new ATOM 0 HB3 ASP C 25 35.667 12.472 24.435 1.00 0.00 H new ATOM 399 N ILE C 26 36.401 14.673 21.979 1.00 0.00 N ATOM 400 CA ILE C 26 37.222 15.869 21.962 1.00 0.00 C ATOM 401 C ILE C 26 36.442 17.051 21.389 1.00 0.00 C ATOM 402 O ILE C 26 36.536 18.169 21.884 1.00 0.00 O ATOM 403 CB ILE C 26 38.470 15.614 21.140 1.00 0.00 C ATOM 404 CG1 ILE C 26 39.302 14.531 21.824 1.00 0.00 C ATOM 405 CG2 ILE C 26 39.275 16.901 21.074 1.00 0.00 C ATOM 406 CD1 ILE C 26 40.420 14.085 20.886 1.00 0.00 C ATOM 0 H ILE C 26 36.672 13.963 21.298 1.00 0.00 H new ATOM 0 HA ILE C 26 37.508 16.116 22.984 1.00 0.00 H new ATOM 0 HB ILE C 26 38.203 15.289 20.134 1.00 0.00 H new ATOM 0 HG12 ILE C 26 39.723 14.913 22.754 1.00 0.00 H new ATOM 0 HG13 ILE C 26 38.670 13.682 22.085 1.00 0.00 H new ATOM 0 HG21 ILE C 26 40.178 16.736 20.486 1.00 0.00 H new ATOM 0 HG22 ILE C 26 38.675 17.682 20.607 1.00 0.00 H new ATOM 0 HG23 ILE C 26 39.551 17.210 22.082 1.00 0.00 H new ATOM 0 HD11 ILE C 26 41.016 13.312 21.372 1.00 0.00 H new ATOM 0 HD12 ILE C 26 39.988 13.687 19.968 1.00 0.00 H new ATOM 0 HD13 ILE C 26 41.056 14.937 20.647 1.00 0.00 H new ATOM 418 N PHE C 27 35.675 16.793 20.337 1.00 0.00 N ATOM 419 CA PHE C 27 34.885 17.843 19.704 1.00 0.00 C ATOM 420 C PHE C 27 33.969 18.523 20.720 1.00 0.00 C ATOM 421 O PHE C 27 33.777 19.740 20.676 1.00 0.00 O ATOM 422 CB PHE C 27 34.050 17.245 18.571 1.00 0.00 C ATOM 423 CG PHE C 27 34.645 17.625 17.237 1.00 0.00 C ATOM 424 CD1 PHE C 27 36.014 17.447 17.000 1.00 0.00 C ATOM 425 CD2 PHE C 27 33.826 18.158 16.233 1.00 0.00 C ATOM 426 CE1 PHE C 27 36.562 17.802 15.762 1.00 0.00 C ATOM 427 CE2 PHE C 27 34.375 18.512 14.995 1.00 0.00 C ATOM 428 CZ PHE C 27 35.742 18.333 14.760 1.00 0.00 C ATOM 0 H PHE C 27 35.583 15.873 19.906 1.00 0.00 H new ATOM 0 HA PHE C 27 35.565 18.593 19.301 1.00 0.00 H new ATOM 0 HB2 PHE C 27 34.015 16.160 18.667 1.00 0.00 H new ATOM 0 HB3 PHE C 27 33.023 17.604 18.636 1.00 0.00 H new ATOM 0 HD1 PHE C 27 36.647 17.036 17.773 1.00 0.00 H new ATOM 0 HD2 PHE C 27 32.770 18.296 16.414 1.00 0.00 H new ATOM 0 HE1 PHE C 27 37.618 17.666 15.580 1.00 0.00 H new ATOM 0 HE2 PHE C 27 33.743 18.923 14.222 1.00 0.00 H new ATOM 0 HZ PHE C 27 36.165 18.605 13.804 1.00 0.00 H new ATOM 438 N VAL C 28 33.405 17.742 21.634 1.00 0.00 N ATOM 439 CA VAL C 28 32.515 18.302 22.646 1.00 0.00 C ATOM 440 C VAL C 28 33.312 18.924 23.790 1.00 0.00 C ATOM 441 O VAL C 28 32.809 19.055 24.906 1.00 0.00 O ATOM 442 CB VAL C 28 31.574 17.219 23.185 1.00 0.00 C ATOM 443 CG1 VAL C 28 30.696 16.705 22.046 1.00 0.00 C ATOM 444 CG2 VAL C 28 32.387 16.056 23.747 1.00 0.00 C ATOM 0 H VAL C 28 33.545 16.734 21.696 1.00 0.00 H new ATOM 0 HA VAL C 28 31.920 19.086 22.178 1.00 0.00 H new ATOM 0 HB VAL C 28 30.955 17.644 23.975 1.00 0.00 H new ATOM 0 HG11 VAL C 28 30.024 15.934 22.424 1.00 0.00 H new ATOM 0 HG12 VAL C 28 30.110 17.529 21.638 1.00 0.00 H new ATOM 0 HG13 VAL C 28 31.326 16.285 21.262 1.00 0.00 H new ATOM 0 HG21 VAL C 28 31.711 15.290 24.128 1.00 0.00 H new ATOM 0 HG22 VAL C 28 33.008 15.632 22.958 1.00 0.00 H new ATOM 0 HG23 VAL C 28 33.023 16.414 24.557 1.00 0.00 H new ATOM 454 N LEU C 29 34.553 19.303 23.503 1.00 0.00 N ATOM 455 CA LEU C 29 35.411 19.913 24.512 1.00 0.00 C ATOM 456 C LEU C 29 34.654 20.973 25.305 1.00 0.00 C ATOM 457 O LEU C 29 34.837 21.098 26.517 1.00 0.00 O ATOM 458 CB LEU C 29 36.635 20.555 23.852 1.00 0.00 C ATOM 459 CG LEU C 29 36.185 21.574 22.804 1.00 0.00 C ATOM 460 CD1 LEU C 29 36.358 22.983 23.366 1.00 0.00 C ATOM 461 CD2 LEU C 29 37.041 21.418 21.550 1.00 0.00 C ATOM 0 H LEU C 29 34.985 19.199 22.585 1.00 0.00 H new ATOM 0 HA LEU C 29 35.734 19.126 25.194 1.00 0.00 H new ATOM 0 HB2 LEU C 29 37.252 21.044 24.606 1.00 0.00 H new ATOM 0 HB3 LEU C 29 37.252 19.787 23.385 1.00 0.00 H new ATOM 0 HG LEU C 29 35.137 21.407 22.553 1.00 0.00 H new ATOM 0 HD11 LEU C 29 36.038 23.713 22.622 1.00 0.00 H new ATOM 0 HD12 LEU C 29 35.753 23.093 24.266 1.00 0.00 H new ATOM 0 HD13 LEU C 29 37.407 23.151 23.612 1.00 0.00 H new ATOM 0 HD21 LEU C 29 36.723 22.143 20.800 1.00 0.00 H new ATOM 0 HD22 LEU C 29 38.088 21.590 21.800 1.00 0.00 H new ATOM 0 HD23 LEU C 29 36.924 20.410 21.153 1.00 0.00 H new ATOM 473 N GLY C 30 33.823 21.747 24.610 1.00 0.00 N ATOM 474 CA GLY C 30 33.058 22.811 25.253 1.00 0.00 C ATOM 475 C GLY C 30 31.553 22.533 25.230 1.00 0.00 C ATOM 476 O GLY C 30 30.754 23.466 25.202 1.00 0.00 O ATOM 0 H GLY C 30 33.663 21.658 23.607 1.00 0.00 H new ATOM 0 HA2 GLY C 30 33.390 22.922 26.285 1.00 0.00 H new ATOM 0 HA3 GLY C 30 33.259 23.757 24.750 1.00 0.00 H new ATOM 480 N ALA C 31 31.168 21.255 25.227 1.00 0.00 N ATOM 481 CA ALA C 31 29.754 20.901 25.199 1.00 0.00 C ATOM 482 C ALA C 31 29.443 19.870 26.278 1.00 0.00 C ATOM 483 O ALA C 31 29.616 18.667 26.077 1.00 0.00 O ATOM 484 CB ALA C 31 29.393 20.351 23.824 1.00 0.00 C ATOM 0 H ALA C 31 31.808 20.461 25.243 1.00 0.00 H new ATOM 0 HA ALA C 31 29.160 21.793 25.396 1.00 0.00 H new ATOM 0 HB1 ALA C 31 28.336 20.087 23.804 1.00 0.00 H new ATOM 0 HB2 ALA C 31 29.592 21.108 23.066 1.00 0.00 H new ATOM 0 HB3 ALA C 31 29.993 19.464 23.618 1.00 0.00 H new ATOM 490 N GLU C 32 28.974 20.352 27.421 1.00 0.00 N ATOM 491 CA GLU C 32 28.635 19.469 28.526 1.00 0.00 C ATOM 492 C GLU C 32 27.354 18.715 28.216 1.00 0.00 C ATOM 493 O GLU C 32 27.018 17.732 28.877 1.00 0.00 O ATOM 494 CB GLU C 32 28.473 20.277 29.816 1.00 0.00 C ATOM 495 CG GLU C 32 29.823 20.882 30.216 1.00 0.00 C ATOM 496 CD GLU C 32 30.790 19.776 30.632 1.00 0.00 C ATOM 497 OE1 GLU C 32 30.321 18.762 31.124 1.00 0.00 O ATOM 498 OE2 GLU C 32 31.982 19.959 30.453 1.00 0.00 O1- ATOM 0 H GLU C 32 28.821 21.343 27.606 1.00 0.00 H new ATOM 0 HA GLU C 32 29.442 18.750 28.663 1.00 0.00 H new ATOM 0 HB2 GLU C 32 27.737 21.068 29.672 1.00 0.00 H new ATOM 0 HB3 GLU C 32 28.099 19.636 30.614 1.00 0.00 H new ATOM 0 HG2 GLU C 32 30.240 21.445 29.381 1.00 0.00 H new ATOM 0 HG3 GLU C 32 29.686 21.585 31.038 1.00 0.00 H new ATOM 505 N ASP C 33 26.644 19.190 27.203 1.00 0.00 N ATOM 506 CA ASP C 33 25.395 18.560 26.800 1.00 0.00 C ATOM 507 C ASP C 33 25.664 17.239 26.090 1.00 0.00 C ATOM 508 O ASP C 33 24.772 16.400 25.969 1.00 0.00 O ATOM 509 CB ASP C 33 24.611 19.491 25.873 1.00 0.00 C ATOM 510 CG ASP C 33 24.092 20.691 26.660 1.00 0.00 C ATOM 511 OD1 ASP C 33 24.127 20.635 27.878 1.00 0.00 O ATOM 512 OD2 ASP C 33 23.668 21.647 26.032 1.00 0.00 O1- ATOM 0 H ASP C 33 26.909 20.004 26.648 1.00 0.00 H new ATOM 0 HA ASP C 33 24.807 18.364 27.696 1.00 0.00 H new ATOM 0 HB2 ASP C 33 25.250 19.829 25.057 1.00 0.00 H new ATOM 0 HB3 ASP C 33 23.777 18.952 25.423 1.00 0.00 H new ATOM 517 N GLY C 34 26.897 17.054 25.617 1.00 0.00 N ATOM 518 CA GLY C 34 27.245 15.820 24.921 1.00 0.00 C ATOM 519 C GLY C 34 26.852 15.894 23.451 1.00 0.00 C ATOM 520 O GLY C 34 26.814 14.878 22.754 1.00 0.00 O ATOM 0 H GLY C 34 27.656 17.730 25.701 1.00 0.00 H new ATOM 0 HA2 GLY C 34 28.317 15.640 25.006 1.00 0.00 H new ATOM 0 HA3 GLY C 34 26.741 14.977 25.394 1.00 0.00 H new ATOM 524 N CYS C 35 26.564 17.109 22.990 1.00 0.00 N ATOM 525 CA CYS C 35 26.173 17.323 21.598 1.00 0.00 C ATOM 526 C CYS C 35 27.026 18.422 20.972 1.00 0.00 C ATOM 527 O CYS C 35 27.754 19.132 21.672 1.00 0.00 O ATOM 528 CB CYS C 35 24.699 17.723 21.513 1.00 0.00 C ATOM 529 SG CYS C 35 24.487 19.379 22.213 1.00 0.00 S ATOM 0 H CYS C 35 26.594 17.957 23.556 1.00 0.00 H new ATOM 0 HA CYS C 35 26.326 16.390 21.055 1.00 0.00 H new ATOM 0 HB2 CYS C 35 24.366 17.709 20.475 1.00 0.00 H new ATOM 0 HB3 CYS C 35 24.084 17.005 22.055 1.00 0.00 H new ATOM 0 HG CYS C 35 23.236 19.724 22.141 1.00 0.00 H new ATOM 535 N ILE C 36 26.938 18.548 19.649 1.00 0.00 N ATOM 536 CA ILE C 36 27.712 19.553 18.924 1.00 0.00 C ATOM 537 C ILE C 36 26.795 20.519 18.181 1.00 0.00 C ATOM 538 O ILE C 36 25.862 20.112 17.491 1.00 0.00 O ATOM 539 CB ILE C 36 28.652 18.859 17.927 1.00 0.00 C ATOM 540 CG1 ILE C 36 29.801 18.155 18.666 1.00 0.00 C ATOM 541 CG2 ILE C 36 29.231 19.881 16.947 1.00 0.00 C ATOM 542 CD1 ILE C 36 30.903 19.160 19.024 1.00 0.00 C ATOM 0 H ILE C 36 26.341 17.969 19.059 1.00 0.00 H new ATOM 0 HA ILE C 36 28.297 20.124 19.645 1.00 0.00 H new ATOM 0 HB ILE C 36 28.075 18.116 17.377 1.00 0.00 H new ATOM 0 HG12 ILE C 36 29.423 17.682 19.572 1.00 0.00 H new ATOM 0 HG13 ILE C 36 30.212 17.362 18.041 1.00 0.00 H new ATOM 0 HG21 ILE C 36 29.896 19.377 16.246 1.00 0.00 H new ATOM 0 HG22 ILE C 36 28.420 20.359 16.398 1.00 0.00 H new ATOM 0 HG23 ILE C 36 29.791 20.637 17.498 1.00 0.00 H new ATOM 0 HD11 ILE C 36 31.709 18.645 19.547 1.00 0.00 H new ATOM 0 HD12 ILE C 36 31.293 19.613 18.112 1.00 0.00 H new ATOM 0 HD13 ILE C 36 30.491 19.937 19.668 1.00 0.00 H new ATOM 554 N SER C 37 27.081 21.804 18.342 1.00 0.00 N ATOM 555 CA SER C 37 26.296 22.849 17.702 1.00 0.00 C ATOM 556 C SER C 37 27.215 23.874 17.041 1.00 0.00 C ATOM 557 O SER C 37 28.405 23.624 16.846 1.00 0.00 O ATOM 558 CB SER C 37 25.416 23.545 18.739 1.00 0.00 C ATOM 559 OG SER C 37 24.364 24.232 18.076 1.00 0.00 O ATOM 0 H SER C 37 27.854 22.148 18.912 1.00 0.00 H new ATOM 0 HA SER C 37 25.666 22.394 16.938 1.00 0.00 H new ATOM 0 HB2 SER C 37 25.006 22.813 19.435 1.00 0.00 H new ATOM 0 HB3 SER C 37 26.010 24.245 19.326 1.00 0.00 H new ATOM 0 HG SER C 37 23.796 24.678 18.738 1.00 0.00 H new ATOM 565 N THR C 38 26.653 25.022 16.689 1.00 0.00 N ATOM 566 CA THR C 38 27.425 26.069 16.040 1.00 0.00 C ATOM 567 C THR C 38 28.515 26.596 16.968 1.00 0.00 C ATOM 568 O THR C 38 29.594 26.973 16.516 1.00 0.00 O ATOM 569 CB THR C 38 26.497 27.218 15.647 1.00 0.00 C ATOM 570 OG1 THR C 38 25.857 27.722 16.810 1.00 0.00 O ATOM 571 CG2 THR C 38 25.444 26.718 14.658 1.00 0.00 C ATOM 0 H THR C 38 25.671 25.250 16.841 1.00 0.00 H new ATOM 0 HA THR C 38 27.897 25.649 15.152 1.00 0.00 H new ATOM 0 HB THR C 38 27.080 28.010 15.177 1.00 0.00 H new ATOM 0 HG1 THR C 38 25.262 28.460 16.562 1.00 0.00 H new ATOM 0 HG21 THR C 38 24.785 27.541 14.381 1.00 0.00 H new ATOM 0 HG22 THR C 38 25.937 26.332 13.766 1.00 0.00 H new ATOM 0 HG23 THR C 38 24.858 25.924 15.121 1.00 0.00 H new ATOM 579 N LYS C 39 28.232 26.618 18.266 1.00 0.00 N ATOM 580 CA LYS C 39 29.209 27.108 19.234 1.00 0.00 C ATOM 581 C LYS C 39 30.473 26.253 19.209 1.00 0.00 C ATOM 582 O LYS C 39 31.586 26.769 19.068 1.00 0.00 O ATOM 583 CB LYS C 39 28.607 27.077 20.645 1.00 0.00 C ATOM 584 CG LYS C 39 28.277 28.495 21.134 1.00 0.00 C ATOM 585 CD LYS C 39 27.120 29.072 20.321 1.00 0.00 C ATOM 586 CE LYS C 39 26.762 30.456 20.864 1.00 0.00 C ATOM 587 NZ LYS C 39 25.633 31.021 20.072 1.00 0.00 N1+ ATOM 0 H LYS C 39 27.348 26.307 18.669 1.00 0.00 H new ATOM 0 HA LYS C 39 29.470 28.132 18.966 1.00 0.00 H new ATOM 0 HB2 LYS C 39 27.702 26.469 20.645 1.00 0.00 H new ATOM 0 HB3 LYS C 39 29.308 26.605 21.333 1.00 0.00 H new ATOM 0 HG2 LYS C 39 28.013 28.472 22.191 1.00 0.00 H new ATOM 0 HG3 LYS C 39 29.154 29.135 21.038 1.00 0.00 H new ATOM 0 HD2 LYS C 39 27.399 29.142 19.270 1.00 0.00 H new ATOM 0 HD3 LYS C 39 26.255 28.411 20.378 1.00 0.00 H new ATOM 0 HE2 LYS C 39 26.484 30.386 21.916 1.00 0.00 H new ATOM 0 HE3 LYS C 39 27.627 31.116 20.807 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 25.388 31.962 20.440 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 25.915 31.102 19.074 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 24.807 30.394 20.149 1.00 0.00 H new ATOM 601 N GLU C 40 30.308 24.944 19.336 1.00 0.00 N ATOM 602 CA GLU C 40 31.458 24.059 19.316 1.00 0.00 C ATOM 603 C GLU C 40 32.155 24.126 17.965 1.00 0.00 C ATOM 604 O GLU C 40 33.384 24.098 17.882 1.00 0.00 O ATOM 605 CB GLU C 40 31.009 22.631 19.598 1.00 0.00 C ATOM 606 CG GLU C 40 30.598 22.489 21.066 1.00 0.00 C ATOM 607 CD GLU C 40 31.810 22.674 21.976 1.00 0.00 C ATOM 608 OE1 GLU C 40 32.769 21.940 21.806 1.00 0.00 O ATOM 609 OE2 GLU C 40 31.762 23.549 22.825 1.00 0.00 O1- ATOM 0 H GLU C 40 29.407 24.481 19.452 1.00 0.00 H new ATOM 0 HA GLU C 40 32.161 24.376 20.086 1.00 0.00 H new ATOM 0 HB2 GLU C 40 30.171 22.370 18.951 1.00 0.00 H new ATOM 0 HB3 GLU C 40 31.817 21.936 19.369 1.00 0.00 H new ATOM 0 HG2 GLU C 40 29.835 23.228 21.310 1.00 0.00 H new ATOM 0 HG3 GLU C 40 30.155 21.507 21.233 1.00 0.00 H new ATOM 616 N LEU C 41 31.363 24.214 16.906 1.00 0.00 N ATOM 617 CA LEU C 41 31.923 24.286 15.566 1.00 0.00 C ATOM 618 C LEU C 41 32.766 25.544 15.407 1.00 0.00 C ATOM 619 O LEU C 41 33.824 25.519 14.780 1.00 0.00 O ATOM 620 CB LEU C 41 30.798 24.278 14.525 1.00 0.00 C ATOM 621 CG LEU C 41 30.837 22.981 13.710 1.00 0.00 C ATOM 622 CD1 LEU C 41 32.154 22.893 12.929 1.00 0.00 C ATOM 623 CD2 LEU C 41 30.711 21.779 14.651 1.00 0.00 C ATOM 0 H LEU C 41 30.344 24.237 16.947 1.00 0.00 H new ATOM 0 HA LEU C 41 32.561 23.416 15.410 1.00 0.00 H new ATOM 0 HB2 LEU C 41 29.833 24.374 15.022 1.00 0.00 H new ATOM 0 HB3 LEU C 41 30.902 25.136 13.861 1.00 0.00 H new ATOM 0 HG LEU C 41 30.006 22.976 13.005 1.00 0.00 H new ATOM 0 HD11 LEU C 41 32.174 21.968 12.352 1.00 0.00 H new ATOM 0 HD12 LEU C 41 32.234 23.744 12.253 1.00 0.00 H new ATOM 0 HD13 LEU C 41 32.992 22.904 13.626 1.00 0.00 H new ATOM 0 HD21 LEU C 41 30.739 20.857 14.070 1.00 0.00 H new ATOM 0 HD22 LEU C 41 31.538 21.785 15.362 1.00 0.00 H new ATOM 0 HD23 LEU C 41 29.767 21.838 15.192 1.00 0.00 H new ATOM 635 N GLY C 42 32.294 26.641 15.976 1.00 0.00 N ATOM 636 CA GLY C 42 33.022 27.892 15.885 1.00 0.00 C ATOM 637 C GLY C 42 34.395 27.780 16.539 1.00 0.00 C ATOM 638 O GLY C 42 35.385 28.300 16.020 1.00 0.00 O ATOM 0 H GLY C 42 31.420 26.690 16.500 1.00 0.00 H new ATOM 0 HA2 GLY C 42 33.137 28.174 14.838 1.00 0.00 H new ATOM 0 HA3 GLY C 42 32.450 28.685 16.367 1.00 0.00 H new ATOM 642 N LYS C 43 34.457 27.096 17.680 1.00 0.00 N ATOM 643 CA LYS C 43 35.719 26.943 18.389 1.00 0.00 C ATOM 644 C LYS C 43 36.704 26.141 17.553 1.00 0.00 C ATOM 645 O LYS C 43 37.892 26.454 17.491 1.00 0.00 O ATOM 646 CB LYS C 43 35.485 26.258 19.738 1.00 0.00 C ATOM 647 CG LYS C 43 34.731 27.213 20.672 1.00 0.00 C ATOM 648 CD LYS C 43 34.575 26.569 22.053 1.00 0.00 C ATOM 649 CE LYS C 43 33.866 27.539 23.003 1.00 0.00 C ATOM 650 NZ LYS C 43 32.459 27.738 22.553 1.00 0.00 N1+ ATOM 0 H LYS C 43 33.658 26.646 18.126 1.00 0.00 H new ATOM 0 HA LYS C 43 36.142 27.932 18.566 1.00 0.00 H new ATOM 0 HB2 LYS C 43 34.912 25.341 19.598 1.00 0.00 H new ATOM 0 HB3 LYS C 43 36.438 25.973 20.184 1.00 0.00 H new ATOM 0 HG2 LYS C 43 35.272 28.155 20.759 1.00 0.00 H new ATOM 0 HG3 LYS C 43 33.751 27.446 20.256 1.00 0.00 H new ATOM 0 HD2 LYS C 43 34.004 25.644 21.970 1.00 0.00 H new ATOM 0 HD3 LYS C 43 35.554 26.304 22.453 1.00 0.00 H new ATOM 0 HE2 LYS C 43 33.882 27.146 24.019 1.00 0.00 H new ATOM 0 HE3 LYS C 43 34.391 28.494 23.023 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 31.905 28.165 23.323 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 32.445 28.368 21.726 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 32.044 26.820 22.296 1.00 0.00 H new ATOM 664 N VAL C 44 36.193 25.112 16.906 1.00 0.00 N ATOM 665 CA VAL C 44 37.013 24.266 16.058 1.00 0.00 C ATOM 666 C VAL C 44 37.496 25.035 14.838 1.00 0.00 C ATOM 667 O VAL C 44 38.635 24.876 14.405 1.00 0.00 O ATOM 668 CB VAL C 44 36.199 23.070 15.601 1.00 0.00 C ATOM 669 CG1 VAL C 44 36.998 22.287 14.560 1.00 0.00 C ATOM 670 CG2 VAL C 44 35.907 22.168 16.800 1.00 0.00 C ATOM 0 H VAL C 44 35.211 24.840 16.951 1.00 0.00 H new ATOM 0 HA VAL C 44 37.879 23.935 16.631 1.00 0.00 H new ATOM 0 HB VAL C 44 35.260 23.410 15.164 1.00 0.00 H new ATOM 0 HG11 VAL C 44 36.418 21.426 14.228 1.00 0.00 H new ATOM 0 HG12 VAL C 44 37.213 22.931 13.707 1.00 0.00 H new ATOM 0 HG13 VAL C 44 37.934 21.945 15.002 1.00 0.00 H new ATOM 0 HG21 VAL C 44 35.322 21.308 16.474 1.00 0.00 H new ATOM 0 HG22 VAL C 44 36.846 21.825 17.234 1.00 0.00 H new ATOM 0 HG23 VAL C 44 35.344 22.727 17.548 1.00 0.00 H new ATOM 680 N MET C 45 36.608 25.849 14.274 1.00 0.00 N ATOM 681 CA MET C 45 36.946 26.620 13.084 1.00 0.00 C ATOM 682 C MET C 45 38.147 27.520 13.344 1.00 0.00 C ATOM 683 O MET C 45 38.935 27.812 12.437 1.00 0.00 O ATOM 684 CB MET C 45 35.765 27.483 12.629 1.00 0.00 C ATOM 685 CG MET C 45 34.770 26.647 11.824 1.00 0.00 C ATOM 686 SD MET C 45 33.472 27.734 11.187 1.00 0.00 S ATOM 687 CE MET C 45 33.139 26.804 9.670 1.00 0.00 C ATOM 0 H MET C 45 35.658 25.990 14.618 1.00 0.00 H new ATOM 0 HA MET C 45 37.190 25.907 12.297 1.00 0.00 H new ATOM 0 HB2 MET C 45 35.267 27.915 13.497 1.00 0.00 H new ATOM 0 HB3 MET C 45 36.126 28.313 12.022 1.00 0.00 H new ATOM 0 HG2 MET C 45 35.279 26.145 11.001 1.00 0.00 H new ATOM 0 HG3 MET C 45 34.336 25.869 12.452 1.00 0.00 H new ATOM 0 HE1 MET C 45 32.271 27.229 9.166 1.00 0.00 H new ATOM 0 HE2 MET C 45 34.005 26.861 9.011 1.00 0.00 H new ATOM 0 HE3 MET C 45 32.940 25.762 9.919 1.00 0.00 H new ATOM 697 N ARG C 46 38.289 27.971 14.582 1.00 0.00 N ATOM 698 CA ARG C 46 39.403 28.845 14.917 1.00 0.00 C ATOM 699 C ARG C 46 40.721 28.143 14.597 1.00 0.00 C ATOM 700 O ARG C 46 41.667 28.766 14.115 1.00 0.00 O ATOM 701 CB ARG C 46 39.358 29.199 16.404 1.00 0.00 C ATOM 702 CG ARG C 46 38.159 30.108 16.675 1.00 0.00 C ATOM 703 CD ARG C 46 38.124 30.489 18.155 1.00 0.00 C ATOM 704 NE ARG C 46 36.960 31.322 18.431 1.00 0.00 N ATOM 705 CZ ARG C 46 36.788 31.888 19.619 1.00 0.00 C ATOM 706 NH1 ARG C 46 37.686 31.733 20.551 1.00 0.00 N ATOM 707 NH2 ARG C 46 35.721 32.605 19.853 1.00 0.00 N1+ ATOM 0 H ARG C 46 37.662 27.752 15.356 1.00 0.00 H new ATOM 0 HA ARG C 46 39.328 29.760 14.329 1.00 0.00 H new ATOM 0 HB2 ARG C 46 39.283 28.291 17.003 1.00 0.00 H new ATOM 0 HB3 ARG C 46 40.281 29.699 16.698 1.00 0.00 H new ATOM 0 HG2 ARG C 46 38.225 31.006 16.060 1.00 0.00 H new ATOM 0 HG3 ARG C 46 37.235 29.599 16.399 1.00 0.00 H new ATOM 0 HD2 ARG C 46 38.091 29.589 18.769 1.00 0.00 H new ATOM 0 HD3 ARG C 46 39.035 31.024 18.422 1.00 0.00 H new ATOM 0 HE ARG C 46 36.266 31.472 17.699 1.00 0.00 H new ATOM 0 HH11 ARG C 46 38.521 31.177 20.367 1.00 0.00 H new ATOM 0 HH12 ARG C 46 37.554 32.168 21.464 1.00 0.00 H new ATOM 0 HH21 ARG C 46 35.020 32.730 19.123 1.00 0.00 H new ATOM 0 HH22 ARG C 46 35.589 33.040 20.766 1.00 0.00 H new ATOM 721 N MET C 47 40.767 26.840 14.846 1.00 0.00 N ATOM 722 CA MET C 47 41.961 26.053 14.562 1.00 0.00 C ATOM 723 C MET C 47 42.208 25.969 13.055 1.00 0.00 C ATOM 724 O MET C 47 43.351 25.892 12.605 1.00 0.00 O ATOM 725 CB MET C 47 41.827 24.649 15.159 1.00 0.00 C ATOM 726 CG MET C 47 43.160 23.913 15.022 1.00 0.00 C ATOM 727 SD MET C 47 43.050 22.303 15.843 1.00 0.00 S ATOM 728 CE MET C 47 44.728 21.737 15.471 1.00 0.00 C ATOM 0 H MET C 47 39.993 26.307 15.243 1.00 0.00 H new ATOM 0 HA MET C 47 42.816 26.549 15.022 1.00 0.00 H new ATOM 0 HB2 MET C 47 41.540 24.713 16.209 1.00 0.00 H new ATOM 0 HB3 MET C 47 41.039 24.097 14.646 1.00 0.00 H new ATOM 0 HG2 MET C 47 43.407 23.780 13.969 1.00 0.00 H new ATOM 0 HG3 MET C 47 43.961 24.505 15.465 1.00 0.00 H new ATOM 0 HE1 MET C 47 44.879 20.744 15.893 1.00 0.00 H new ATOM 0 HE2 MET C 47 44.867 21.697 14.391 1.00 0.00 H new ATOM 0 HE3 MET C 47 45.450 22.429 15.905 1.00 0.00 H new ATOM 738 N LEU C 48 41.120 25.966 12.293 1.00 0.00 N ATOM 739 CA LEU C 48 41.200 25.877 10.835 1.00 0.00 C ATOM 740 C LEU C 48 41.513 27.242 10.227 1.00 0.00 C ATOM 741 O LEU C 48 41.822 27.343 9.040 1.00 0.00 O ATOM 742 CB LEU C 48 39.873 25.366 10.279 1.00 0.00 C ATOM 743 CG LEU C 48 39.570 23.980 10.861 1.00 0.00 C ATOM 744 CD1 LEU C 48 38.206 23.506 10.364 1.00 0.00 C ATOM 745 CD2 LEU C 48 40.643 22.972 10.429 1.00 0.00 C ATOM 0 H LEU C 48 40.170 26.024 12.659 1.00 0.00 H new ATOM 0 HA LEU C 48 42.001 25.186 10.574 1.00 0.00 H new ATOM 0 HB2 LEU C 48 39.071 26.060 10.530 1.00 0.00 H new ATOM 0 HB3 LEU C 48 39.920 25.312 9.191 1.00 0.00 H new ATOM 0 HG LEU C 48 39.566 24.050 11.949 1.00 0.00 H new ATOM 0 HD11 LEU C 48 37.990 22.521 10.778 1.00 0.00 H new ATOM 0 HD12 LEU C 48 37.438 24.210 10.684 1.00 0.00 H new ATOM 0 HD13 LEU C 48 38.215 23.449 9.276 1.00 0.00 H new ATOM 0 HD21 LEU C 48 40.413 21.993 10.850 1.00 0.00 H new ATOM 0 HD22 LEU C 48 40.661 22.904 9.341 1.00 0.00 H new ATOM 0 HD23 LEU C 48 41.618 23.302 10.788 1.00 0.00 H new ATOM 757 N GLY C 49 41.436 28.289 11.044 1.00 0.00 N ATOM 758 CA GLY C 49 41.722 29.637 10.560 1.00 0.00 C ATOM 759 C GLY C 49 40.524 30.232 9.826 1.00 0.00 C ATOM 760 O GLY C 49 40.686 31.037 8.908 1.00 0.00 O ATOM 0 H GLY C 49 41.182 28.233 12.030 1.00 0.00 H new ATOM 0 HA2 GLY C 49 41.990 30.277 11.400 1.00 0.00 H new ATOM 0 HA3 GLY C 49 42.583 29.610 9.892 1.00 0.00 H new ATOM 764 N GLN C 50 39.325 29.824 10.237 1.00 0.00 N ATOM 765 CA GLN C 50 38.099 30.318 9.617 1.00 0.00 C ATOM 766 C GLN C 50 37.170 30.925 10.664 1.00 0.00 C ATOM 767 O GLN C 50 37.083 30.438 11.791 1.00 0.00 O ATOM 768 CB GLN C 50 37.378 29.173 8.906 1.00 0.00 C ATOM 769 CG GLN C 50 38.287 28.588 7.824 1.00 0.00 C ATOM 770 CD GLN C 50 38.529 29.626 6.732 1.00 0.00 C ATOM 771 OE1 GLN C 50 37.728 30.545 6.560 1.00 0.00 O ATOM 772 NE2 GLN C 50 39.588 29.529 5.976 1.00 0.00 N ATOM 0 H GLN C 50 39.177 29.156 10.993 1.00 0.00 H new ATOM 0 HA GLN C 50 38.368 31.089 8.895 1.00 0.00 H new ATOM 0 HB2 GLN C 50 37.106 28.399 9.624 1.00 0.00 H new ATOM 0 HB3 GLN C 50 36.451 29.534 8.460 1.00 0.00 H new ATOM 0 HG2 GLN C 50 39.236 28.280 8.262 1.00 0.00 H new ATOM 0 HG3 GLN C 50 37.829 27.696 7.395 1.00 0.00 H new ATOM 0 HE21 GLN C 50 40.250 28.767 6.121 1.00 0.00 H new ATOM 0 HE22 GLN C 50 39.754 30.216 5.240 1.00 0.00 H new ATOM 781 N ASN C 51 36.473 31.990 10.278 1.00 0.00 N ATOM 782 CA ASN C 51 35.546 32.660 11.185 1.00 0.00 C ATOM 783 C ASN C 51 34.355 33.230 10.417 1.00 0.00 C ATOM 784 O ASN C 51 34.232 34.444 10.256 1.00 0.00 O ATOM 785 CB ASN C 51 36.267 33.783 11.931 1.00 0.00 C ATOM 786 CG ASN C 51 35.369 34.339 13.029 1.00 0.00 C ATOM 787 OD1 ASN C 51 34.335 34.941 12.740 1.00 0.00 O ATOM 788 ND2 ASN C 51 35.697 34.167 14.280 1.00 0.00 N ATOM 0 H ASN C 51 36.532 32.406 9.348 1.00 0.00 H new ATOM 0 HA ASN C 51 35.177 31.928 11.903 1.00 0.00 H new ATOM 0 HB2 ASN C 51 37.194 33.407 12.364 1.00 0.00 H new ATOM 0 HB3 ASN C 51 36.539 34.577 11.235 1.00 0.00 H new ATOM 0 HD21 ASN C 51 35.096 34.531 15.019 1.00 0.00 H new ATOM 0 HD22 ASN C 51 36.554 33.668 14.519 1.00 0.00 H new ATOM 795 N PRO C 52 33.483 32.377 9.947 1.00 0.00 N ATOM 796 CA PRO C 52 32.277 32.792 9.178 1.00 0.00 C ATOM 797 C PRO C 52 31.190 33.343 10.080 1.00 0.00 C ATOM 798 O PRO C 52 31.425 33.619 11.255 1.00 0.00 O ATOM 799 CB PRO C 52 31.822 31.509 8.496 1.00 0.00 C ATOM 800 CG PRO C 52 32.298 30.408 9.381 1.00 0.00 C ATOM 801 CD PRO C 52 33.550 30.913 10.096 1.00 0.00 C ATOM 0 HA PRO C 52 32.495 33.596 8.475 1.00 0.00 H new ATOM 0 HB2 PRO C 52 30.738 31.485 8.385 1.00 0.00 H new ATOM 0 HB3 PRO C 52 32.247 31.422 7.496 1.00 0.00 H new ATOM 0 HG2 PRO C 52 31.528 30.133 10.102 1.00 0.00 H new ATOM 0 HG3 PRO C 52 32.522 29.515 8.798 1.00 0.00 H new ATOM 0 HD2 PRO C 52 33.556 30.619 11.146 1.00 0.00 H new ATOM 0 HD3 PRO C 52 34.457 30.508 9.647 1.00 0.00 H new ATOM 809 N THR C 53 29.999 33.506 9.528 1.00 0.00 N ATOM 810 CA THR C 53 28.893 34.034 10.310 1.00 0.00 C ATOM 811 C THR C 53 28.034 32.907 10.899 1.00 0.00 C ATOM 812 O THR C 53 28.007 31.796 10.360 1.00 0.00 O ATOM 813 CB THR C 53 28.022 34.955 9.453 1.00 0.00 C ATOM 814 OG1 THR C 53 27.966 34.463 8.118 1.00 0.00 O ATOM 815 CG2 THR C 53 28.605 36.367 9.470 1.00 0.00 C ATOM 0 H THR C 53 29.775 33.285 8.558 1.00 0.00 H new ATOM 0 HA THR C 53 29.318 34.606 11.135 1.00 0.00 H new ATOM 0 HB THR C 53 27.011 34.981 9.859 1.00 0.00 H new ATOM 0 HG1 THR C 53 27.406 35.055 7.574 1.00 0.00 H new ATOM 0 HG21 THR C 53 27.985 37.024 8.860 1.00 0.00 H new ATOM 0 HG22 THR C 53 28.628 36.739 10.494 1.00 0.00 H new ATOM 0 HG23 THR C 53 29.618 36.347 9.068 1.00 0.00 H new ATOM 823 N PRO C 54 27.322 33.159 11.985 1.00 0.00 N ATOM 824 CA PRO C 54 26.441 32.122 12.612 1.00 0.00 C ATOM 825 C PRO C 54 25.428 31.540 11.621 1.00 0.00 C ATOM 826 O PRO C 54 25.054 30.372 11.719 1.00 0.00 O ATOM 827 CB PRO C 54 25.696 32.885 13.709 1.00 0.00 C ATOM 828 CG PRO C 54 26.568 34.038 14.054 1.00 0.00 C ATOM 829 CD PRO C 54 27.280 34.432 12.755 1.00 0.00 C ATOM 0 HA PRO C 54 27.025 31.276 12.975 1.00 0.00 H new ATOM 0 HB2 PRO C 54 24.720 33.222 13.359 1.00 0.00 H new ATOM 0 HB3 PRO C 54 25.521 32.251 14.578 1.00 0.00 H new ATOM 0 HG2 PRO C 54 25.980 34.869 14.444 1.00 0.00 H new ATOM 0 HG3 PRO C 54 27.287 33.766 14.826 1.00 0.00 H new ATOM 0 HD2 PRO C 54 26.735 35.209 12.218 1.00 0.00 H new ATOM 0 HD3 PRO C 54 28.281 34.819 12.947 1.00 0.00 H new ATOM 837 N GLU C 55 24.963 32.371 10.691 1.00 0.00 N ATOM 838 CA GLU C 55 23.966 31.933 9.716 1.00 0.00 C ATOM 839 C GLU C 55 24.527 30.829 8.842 1.00 0.00 C ATOM 840 O GLU C 55 23.833 29.872 8.502 1.00 0.00 O ATOM 841 CB GLU C 55 23.583 33.103 8.816 1.00 0.00 C ATOM 842 CG GLU C 55 22.948 34.181 9.674 1.00 0.00 C ATOM 843 CD GLU C 55 22.461 35.342 8.810 1.00 0.00 C ATOM 844 OE1 GLU C 55 22.748 35.337 7.624 1.00 0.00 O ATOM 845 OE2 GLU C 55 21.802 36.216 9.349 1.00 0.00 O1- ATOM 0 H GLU C 55 25.257 33.343 10.592 1.00 0.00 H new ATOM 0 HA GLU C 55 23.095 31.565 10.259 1.00 0.00 H new ATOM 0 HB2 GLU C 55 24.464 33.494 8.307 1.00 0.00 H new ATOM 0 HB3 GLU C 55 22.888 32.775 8.043 1.00 0.00 H new ATOM 0 HG2 GLU C 55 22.112 33.762 10.233 1.00 0.00 H new ATOM 0 HG3 GLU C 55 23.671 34.543 10.405 1.00 0.00 H new ATOM 852 N GLU C 56 25.789 30.987 8.477 1.00 0.00 N ATOM 853 CA GLU C 56 26.452 30.007 7.620 1.00 0.00 C ATOM 854 C GLU C 56 26.599 28.699 8.363 1.00 0.00 C ATOM 855 O GLU C 56 26.394 27.619 7.806 1.00 0.00 O ATOM 856 CB GLU C 56 27.841 30.497 7.205 1.00 0.00 C ATOM 857 CG GLU C 56 27.688 31.758 6.367 1.00 0.00 C ATOM 858 CD GLU C 56 29.040 32.217 5.829 1.00 0.00 C ATOM 859 OE1 GLU C 56 30.010 31.503 6.023 1.00 0.00 O ATOM 860 OE2 GLU C 56 29.085 33.281 5.231 1.00 0.00 O1- ATOM 0 H GLU C 56 26.373 31.775 8.755 1.00 0.00 H new ATOM 0 HA GLU C 56 25.842 29.868 6.727 1.00 0.00 H new ATOM 0 HB2 GLU C 56 28.448 30.702 8.087 1.00 0.00 H new ATOM 0 HB3 GLU C 56 28.358 29.726 6.634 1.00 0.00 H new ATOM 0 HG2 GLU C 56 27.007 31.569 5.538 1.00 0.00 H new ATOM 0 HG3 GLU C 56 27.244 32.550 6.970 1.00 0.00 H new ATOM 867 N LEU C 57 26.953 28.815 9.633 1.00 0.00 N ATOM 868 CA LEU C 57 27.127 27.638 10.475 1.00 0.00 C ATOM 869 C LEU C 57 25.811 26.898 10.642 1.00 0.00 C ATOM 870 O LEU C 57 25.772 25.665 10.637 1.00 0.00 O ATOM 871 CB LEU C 57 27.656 28.040 11.853 1.00 0.00 C ATOM 872 CG LEU C 57 29.113 28.502 11.737 1.00 0.00 C ATOM 873 CD1 LEU C 57 29.564 29.112 13.063 1.00 0.00 C ATOM 874 CD2 LEU C 57 30.027 27.317 11.389 1.00 0.00 C ATOM 0 H LEU C 57 27.125 29.704 10.102 1.00 0.00 H new ATOM 0 HA LEU C 57 27.848 26.981 9.987 1.00 0.00 H new ATOM 0 HB2 LEU C 57 27.043 28.840 12.268 1.00 0.00 H new ATOM 0 HB3 LEU C 57 27.586 27.196 12.539 1.00 0.00 H new ATOM 0 HG LEU C 57 29.180 29.247 10.944 1.00 0.00 H new ATOM 0 HD11 LEU C 57 30.600 29.440 12.979 1.00 0.00 H new ATOM 0 HD12 LEU C 57 28.931 29.966 13.304 1.00 0.00 H new ATOM 0 HD13 LEU C 57 29.483 28.366 13.853 1.00 0.00 H new ATOM 0 HD21 LEU C 57 31.058 27.663 11.311 1.00 0.00 H new ATOM 0 HD22 LEU C 57 29.957 26.561 12.171 1.00 0.00 H new ATOM 0 HD23 LEU C 57 29.716 26.885 10.438 1.00 0.00 H new ATOM 886 N GLN C 58 24.736 27.660 10.805 1.00 0.00 N ATOM 887 CA GLN C 58 23.420 27.064 10.993 1.00 0.00 C ATOM 888 C GLN C 58 22.995 26.323 9.726 1.00 0.00 C ATOM 889 O GLN C 58 22.464 25.215 9.792 1.00 0.00 O ATOM 890 CB GLN C 58 22.397 28.156 11.313 1.00 0.00 C ATOM 891 CG GLN C 58 21.084 27.517 11.771 1.00 0.00 C ATOM 892 CD GLN C 58 21.279 26.864 13.138 1.00 0.00 C ATOM 893 OE1 GLN C 58 21.752 27.515 14.071 1.00 0.00 O ATOM 894 NE2 GLN C 58 20.944 25.615 13.321 1.00 0.00 N ATOM 0 H GLN C 58 24.749 28.680 10.811 1.00 0.00 H new ATOM 0 HA GLN C 58 23.468 26.358 11.822 1.00 0.00 H new ATOM 0 HB2 GLN C 58 22.784 28.813 12.092 1.00 0.00 H new ATOM 0 HB3 GLN C 58 22.224 28.774 10.432 1.00 0.00 H new ATOM 0 HG2 GLN C 58 20.300 28.273 11.827 1.00 0.00 H new ATOM 0 HG3 GLN C 58 20.758 26.773 11.045 1.00 0.00 H new ATOM 0 HE21 GLN C 58 20.552 25.074 12.550 1.00 0.00 H new ATOM 0 HE22 GLN C 58 21.074 25.181 14.235 1.00 0.00 H new ATOM 903 N GLU C 59 23.245 26.942 8.573 1.00 0.00 N ATOM 904 CA GLU C 59 22.897 26.337 7.291 1.00 0.00 C ATOM 905 C GLU C 59 23.715 25.074 7.042 1.00 0.00 C ATOM 906 O GLU C 59 23.204 24.085 6.515 1.00 0.00 O ATOM 907 CB GLU C 59 23.118 27.333 6.150 1.00 0.00 C ATOM 908 CG GLU C 59 22.054 28.430 6.217 1.00 0.00 C ATOM 909 CD GLU C 59 22.275 29.440 5.097 1.00 0.00 C ATOM 910 OE1 GLU C 59 23.366 29.979 5.018 1.00 0.00 O ATOM 911 OE2 GLU C 59 21.349 29.658 4.331 1.00 0.00 O1- ATOM 0 H GLU C 59 23.686 27.859 8.502 1.00 0.00 H new ATOM 0 HA GLU C 59 21.842 26.065 7.326 1.00 0.00 H new ATOM 0 HB2 GLU C 59 24.113 27.772 6.224 1.00 0.00 H new ATOM 0 HB3 GLU C 59 23.066 26.820 5.190 1.00 0.00 H new ATOM 0 HG2 GLU C 59 21.060 27.990 6.130 1.00 0.00 H new ATOM 0 HG3 GLU C 59 22.097 28.931 7.184 1.00 0.00 H new ATOM 918 N MET C 60 24.987 25.112 7.423 1.00 0.00 N ATOM 919 CA MET C 60 25.862 23.962 7.236 1.00 0.00 C ATOM 920 C MET C 60 25.298 22.742 7.951 1.00 0.00 C ATOM 921 O MET C 60 25.231 21.650 7.381 1.00 0.00 O ATOM 922 CB MET C 60 27.252 24.279 7.784 1.00 0.00 C ATOM 923 CG MET C 60 28.241 24.444 6.630 1.00 0.00 C ATOM 924 SD MET C 60 28.453 22.855 5.782 1.00 0.00 S ATOM 925 CE MET C 60 29.222 21.938 7.144 1.00 0.00 C ATOM 0 H MET C 60 25.432 25.919 7.859 1.00 0.00 H new ATOM 0 HA MET C 60 25.930 23.744 6.170 1.00 0.00 H new ATOM 0 HB2 MET C 60 27.218 25.192 8.379 1.00 0.00 H new ATOM 0 HB3 MET C 60 27.583 23.479 8.446 1.00 0.00 H new ATOM 0 HG2 MET C 60 27.877 25.196 5.930 1.00 0.00 H new ATOM 0 HG3 MET C 60 29.201 24.798 7.007 1.00 0.00 H new ATOM 0 HE1 MET C 60 29.892 21.179 6.739 1.00 0.00 H new ATOM 0 HE2 MET C 60 29.789 22.626 7.771 1.00 0.00 H new ATOM 0 HE3 MET C 60 28.448 21.457 7.742 1.00 0.00 H new ATOM 935 N ILE C 61 24.882 22.932 9.195 1.00 0.00 N ATOM 936 CA ILE C 61 24.315 21.840 9.969 1.00 0.00 C ATOM 937 C ILE C 61 22.997 21.378 9.357 1.00 0.00 C ATOM 938 O ILE C 61 22.697 20.190 9.330 1.00 0.00 O ATOM 939 CB ILE C 61 24.099 22.257 11.412 1.00 0.00 C ATOM 940 CG1 ILE C 61 25.464 22.517 12.043 1.00 0.00 C ATOM 941 CG2 ILE C 61 23.389 21.119 12.155 1.00 0.00 C ATOM 942 CD1 ILE C 61 25.280 23.144 13.416 1.00 0.00 C ATOM 0 H ILE C 61 24.926 23.825 9.686 1.00 0.00 H new ATOM 0 HA ILE C 61 25.022 21.011 9.949 1.00 0.00 H new ATOM 0 HB ILE C 61 23.488 23.158 11.468 1.00 0.00 H new ATOM 0 HG12 ILE C 61 26.019 21.583 12.130 1.00 0.00 H new ATOM 0 HG13 ILE C 61 26.051 23.179 11.406 1.00 0.00 H new ATOM 0 HG21 ILE C 61 23.228 21.407 13.194 1.00 0.00 H new ATOM 0 HG22 ILE C 61 22.428 20.919 11.681 1.00 0.00 H new ATOM 0 HG23 ILE C 61 24.005 20.221 12.119 1.00 0.00 H new ATOM 0 HD11 ILE C 61 26.256 23.329 13.865 1.00 0.00 H new ATOM 0 HD12 ILE C 61 24.742 24.087 13.316 1.00 0.00 H new ATOM 0 HD13 ILE C 61 24.710 22.466 14.052 1.00 0.00 H new ATOM 954 N ASP C 62 22.208 22.336 8.887 1.00 0.00 N ATOM 955 CA ASP C 62 20.909 22.035 8.289 1.00 0.00 C ATOM 956 C ASP C 62 21.057 21.108 7.081 1.00 0.00 C ATOM 957 O ASP C 62 20.222 20.229 6.865 1.00 0.00 O ATOM 958 CB ASP C 62 20.231 23.330 7.844 1.00 0.00 C ATOM 959 CG ASP C 62 19.778 24.130 9.059 1.00 0.00 C ATOM 960 OD1 ASP C 62 19.765 23.568 10.142 1.00 0.00 O ATOM 961 OD2 ASP C 62 19.454 25.293 8.891 1.00 0.00 O1- ATOM 0 H ASP C 62 22.443 23.328 8.907 1.00 0.00 H new ATOM 0 HA ASP C 62 20.301 21.533 9.042 1.00 0.00 H new ATOM 0 HB2 ASP C 62 20.922 23.924 7.245 1.00 0.00 H new ATOM 0 HB3 ASP C 62 19.375 23.102 7.210 1.00 0.00 H new ATOM 966 N GLU C 63 22.107 21.311 6.291 1.00 0.00 N ATOM 967 CA GLU C 63 22.326 20.481 5.109 1.00 0.00 C ATOM 968 C GLU C 63 22.482 19.011 5.488 1.00 0.00 C ATOM 969 O GLU C 63 21.907 18.132 4.843 1.00 0.00 O ATOM 970 CB GLU C 63 23.594 20.947 4.388 1.00 0.00 C ATOM 971 CG GLU C 63 23.347 22.294 3.706 1.00 0.00 C ATOM 972 CD GLU C 63 22.390 22.108 2.533 1.00 0.00 C ATOM 973 OE1 GLU C 63 22.413 21.040 1.943 1.00 0.00 O ATOM 974 OE2 GLU C 63 21.645 23.030 2.247 1.00 0.00 O1- ATOM 0 H GLU C 63 22.812 22.033 6.444 1.00 0.00 H new ATOM 0 HA GLU C 63 21.458 20.582 4.457 1.00 0.00 H new ATOM 0 HB2 GLU C 63 24.414 21.036 5.100 1.00 0.00 H new ATOM 0 HB3 GLU C 63 23.894 20.205 3.648 1.00 0.00 H new ATOM 0 HG2 GLU C 63 22.929 23.003 4.420 1.00 0.00 H new ATOM 0 HG3 GLU C 63 24.290 22.714 3.356 1.00 0.00 H new ATOM 981 N VAL C 64 23.248 18.742 6.537 1.00 0.00 N ATOM 982 CA VAL C 64 23.453 17.369 6.982 1.00 0.00 C ATOM 983 C VAL C 64 22.356 16.937 7.949 1.00 0.00 C ATOM 984 O VAL C 64 22.001 15.759 8.022 1.00 0.00 O ATOM 985 CB VAL C 64 24.818 17.236 7.652 1.00 0.00 C ATOM 986 CG1 VAL C 64 24.877 18.155 8.870 1.00 0.00 C ATOM 987 CG2 VAL C 64 25.026 15.788 8.095 1.00 0.00 C ATOM 0 H VAL C 64 23.733 19.448 7.091 1.00 0.00 H new ATOM 0 HA VAL C 64 23.414 16.719 6.108 1.00 0.00 H new ATOM 0 HB VAL C 64 25.600 17.517 6.947 1.00 0.00 H new ATOM 0 HG11 VAL C 64 25.851 18.061 9.350 1.00 0.00 H new ATOM 0 HG12 VAL C 64 24.726 19.187 8.555 1.00 0.00 H new ATOM 0 HG13 VAL C 64 24.096 17.873 9.576 1.00 0.00 H new ATOM 0 HG21 VAL C 64 26.000 15.690 8.574 1.00 0.00 H new ATOM 0 HG22 VAL C 64 24.245 15.508 8.802 1.00 0.00 H new ATOM 0 HG23 VAL C 64 24.982 15.132 7.226 1.00 0.00 H new ATOM 997 N ASP C 65 21.835 17.898 8.702 1.00 0.00 N ATOM 998 CA ASP C 65 20.790 17.613 9.680 1.00 0.00 C ATOM 999 C ASP C 65 19.420 17.585 9.016 1.00 0.00 C ATOM 1000 O ASP C 65 18.896 18.619 8.602 1.00 0.00 O ATOM 1001 CB ASP C 65 20.794 18.675 10.773 1.00 0.00 C ATOM 1002 CG ASP C 65 19.771 18.316 11.842 1.00 0.00 C ATOM 1003 OD1 ASP C 65 19.159 17.267 11.716 1.00 0.00 O ATOM 1004 OD2 ASP C 65 19.612 19.094 12.769 1.00 0.00 O1- ATOM 0 H ASP C 65 22.117 18.877 8.656 1.00 0.00 H new ATOM 0 HA ASP C 65 20.993 16.635 10.116 1.00 0.00 H new ATOM 0 HB2 ASP C 65 21.787 18.750 11.217 1.00 0.00 H new ATOM 0 HB3 ASP C 65 20.561 19.651 10.346 1.00 0.00 H new ATOM 1009 N GLU C 66 18.851 16.393 8.919 1.00 0.00 N ATOM 1010 CA GLU C 66 17.543 16.224 8.306 1.00 0.00 C ATOM 1011 C GLU C 66 16.453 16.892 9.144 1.00 0.00 C ATOM 1012 O GLU C 66 15.541 17.516 8.603 1.00 0.00 O ATOM 1013 CB GLU C 66 17.233 14.736 8.134 1.00 0.00 C ATOM 1014 CG GLU C 66 15.898 14.580 7.407 1.00 0.00 C ATOM 1015 CD GLU C 66 15.647 13.112 7.084 1.00 0.00 C ATOM 1016 OE1 GLU C 66 16.487 12.298 7.431 1.00 0.00 O ATOM 1017 OE2 GLU C 66 14.620 12.824 6.493 1.00 0.00 O1- ATOM 0 H GLU C 66 19.275 15.529 9.257 1.00 0.00 H new ATOM 0 HA GLU C 66 17.562 16.703 7.327 1.00 0.00 H new ATOM 0 HB2 GLU C 66 18.028 14.250 7.568 1.00 0.00 H new ATOM 0 HB3 GLU C 66 17.190 14.247 9.107 1.00 0.00 H new ATOM 0 HG2 GLU C 66 15.090 14.967 8.027 1.00 0.00 H new ATOM 0 HG3 GLU C 66 15.904 15.167 6.488 1.00 0.00 H new ATOM 1024 N ASP C 67 16.545 16.746 10.466 1.00 0.00 N ATOM 1025 CA ASP C 67 15.545 17.334 11.351 1.00 0.00 C ATOM 1026 C ASP C 67 15.748 18.837 11.488 1.00 0.00 C ATOM 1027 O ASP C 67 14.862 19.551 11.961 1.00 0.00 O ATOM 1028 CB ASP C 67 15.619 16.663 12.726 1.00 0.00 C ATOM 1029 CG ASP C 67 17.058 16.663 13.233 1.00 0.00 C ATOM 1030 OD1 ASP C 67 17.599 17.736 13.422 1.00 0.00 O ATOM 1031 OD2 ASP C 67 17.600 15.587 13.414 1.00 0.00 O1- ATOM 0 H ASP C 67 17.289 16.234 10.940 1.00 0.00 H new ATOM 0 HA ASP C 67 14.559 17.168 10.918 1.00 0.00 H new ATOM 0 HB2 ASP C 67 14.977 17.190 13.431 1.00 0.00 H new ATOM 0 HB3 ASP C 67 15.248 15.640 12.660 1.00 0.00 H new ATOM 1036 N GLY C 68 16.901 19.320 11.048 1.00 0.00 N ATOM 1037 CA GLY C 68 17.175 20.749 11.112 1.00 0.00 C ATOM 1038 C GLY C 68 17.271 21.212 12.557 1.00 0.00 C ATOM 1039 O GLY C 68 17.089 22.392 12.855 1.00 0.00 O ATOM 0 H GLY C 68 17.651 18.755 10.649 1.00 0.00 H new ATOM 0 HA2 GLY C 68 18.107 20.970 10.591 1.00 0.00 H new ATOM 0 HA3 GLY C 68 16.386 21.299 10.600 1.00 0.00 H new ATOM 1043 N SER C 69 17.545 20.272 13.452 1.00 0.00 N ATOM 1044 CA SER C 69 17.645 20.593 14.872 1.00 0.00 C ATOM 1045 C SER C 69 18.747 21.616 15.113 1.00 0.00 C ATOM 1046 O SER C 69 18.755 22.304 16.133 1.00 0.00 O ATOM 1047 CB SER C 69 17.930 19.329 15.683 1.00 0.00 C ATOM 1048 OG SER C 69 19.177 18.780 15.279 1.00 0.00 O ATOM 0 H SER C 69 17.701 19.290 13.225 1.00 0.00 H new ATOM 0 HA SER C 69 16.694 21.017 15.193 1.00 0.00 H new ATOM 0 HB2 SER C 69 17.951 19.564 16.747 1.00 0.00 H new ATOM 0 HB3 SER C 69 17.134 18.600 15.533 1.00 0.00 H new ATOM 1054 N GLY C 70 19.671 21.717 14.166 1.00 0.00 N ATOM 1055 CA GLY C 70 20.768 22.671 14.288 1.00 0.00 C ATOM 1056 C GLY C 70 21.898 22.100 15.135 1.00 0.00 C ATOM 1057 O GLY C 70 22.892 22.777 15.399 1.00 0.00 O ATOM 0 H GLY C 70 19.685 21.157 13.313 1.00 0.00 H new ATOM 0 HA2 GLY C 70 21.145 22.926 13.297 1.00 0.00 H new ATOM 0 HA3 GLY C 70 20.403 23.594 14.738 1.00 0.00 H new ATOM 1061 N THR C 71 21.736 20.848 15.552 1.00 0.00 N ATOM 1062 CA THR C 71 22.745 20.182 16.365 1.00 0.00 C ATOM 1063 C THR C 71 23.113 18.838 15.748 1.00 0.00 C ATOM 1064 O THR C 71 22.335 18.265 14.984 1.00 0.00 O ATOM 1065 CB THR C 71 22.214 19.971 17.786 1.00 0.00 C ATOM 1066 OG1 THR C 71 21.052 19.152 17.739 1.00 0.00 O ATOM 1067 CG2 THR C 71 21.863 21.322 18.410 1.00 0.00 C ATOM 0 H THR C 71 20.918 20.277 15.341 1.00 0.00 H new ATOM 0 HA THR C 71 23.635 20.810 16.404 1.00 0.00 H new ATOM 0 HB THR C 71 22.979 19.484 18.390 1.00 0.00 H new ATOM 0 HG1 THR C 71 20.712 19.015 18.648 1.00 0.00 H new ATOM 0 HG21 THR C 71 21.485 21.169 19.421 1.00 0.00 H new ATOM 0 HG22 THR C 71 22.754 21.948 18.447 1.00 0.00 H new ATOM 0 HG23 THR C 71 21.099 21.813 17.808 1.00 0.00 H new ATOM 1075 N VAL C 72 24.303 18.345 16.080 1.00 0.00 N ATOM 1076 CA VAL C 72 24.771 17.068 15.547 1.00 0.00 C ATOM 1077 C VAL C 72 24.948 16.069 16.692 1.00 0.00 C ATOM 1078 O VAL C 72 25.641 16.345 17.675 1.00 0.00 O ATOM 1079 CB VAL C 72 26.104 17.273 14.810 1.00 0.00 C ATOM 1080 CG1 VAL C 72 26.588 15.964 14.173 1.00 0.00 C ATOM 1081 CG2 VAL C 72 25.930 18.332 13.722 1.00 0.00 C ATOM 0 H VAL C 72 24.958 18.807 16.712 1.00 0.00 H new ATOM 0 HA VAL C 72 24.036 16.675 14.844 1.00 0.00 H new ATOM 0 HB VAL C 72 26.849 17.602 15.535 1.00 0.00 H new ATOM 0 HG11 VAL C 72 27.533 16.138 13.658 1.00 0.00 H new ATOM 0 HG12 VAL C 72 26.731 15.212 14.949 1.00 0.00 H new ATOM 0 HG13 VAL C 72 25.845 15.611 13.458 1.00 0.00 H new ATOM 0 HG21 VAL C 72 26.876 18.476 13.200 1.00 0.00 H new ATOM 0 HG22 VAL C 72 25.171 18.003 13.012 1.00 0.00 H new ATOM 0 HG23 VAL C 72 25.619 19.273 14.176 1.00 0.00 H new ATOM 1091 N ASP C 73 24.309 14.912 16.555 1.00 0.00 N ATOM 1092 CA ASP C 73 24.391 13.869 17.570 1.00 0.00 C ATOM 1093 C ASP C 73 25.381 12.793 17.140 1.00 0.00 C ATOM 1094 O ASP C 73 26.051 12.933 16.119 1.00 0.00 O ATOM 1095 CB ASP C 73 23.017 13.237 17.784 1.00 0.00 C ATOM 1096 CG ASP C 73 22.006 14.307 18.175 1.00 0.00 C ATOM 1097 OD1 ASP C 73 22.326 15.113 19.032 1.00 0.00 O ATOM 1098 OD2 ASP C 73 20.925 14.305 17.609 1.00 0.00 O1- ATOM 0 H ASP C 73 23.729 14.673 15.751 1.00 0.00 H new ATOM 0 HA ASP C 73 24.732 14.319 18.503 1.00 0.00 H new ATOM 0 HB2 ASP C 73 22.693 12.735 16.873 1.00 0.00 H new ATOM 0 HB3 ASP C 73 23.075 12.477 18.564 1.00 0.00 H new ATOM 1103 N PHE C 74 25.470 11.720 17.918 1.00 0.00 N ATOM 1104 CA PHE C 74 26.392 10.636 17.592 1.00 0.00 C ATOM 1105 C PHE C 74 26.070 10.027 16.228 1.00 0.00 C ATOM 1106 O PHE C 74 26.963 9.825 15.405 1.00 0.00 O ATOM 1107 CB PHE C 74 26.303 9.545 18.660 1.00 0.00 C ATOM 1108 CG PHE C 74 27.202 9.894 19.820 1.00 0.00 C ATOM 1109 CD1 PHE C 74 28.582 9.703 19.705 1.00 0.00 C ATOM 1110 CD2 PHE C 74 26.661 10.401 21.009 1.00 0.00 C ATOM 1111 CE1 PHE C 74 29.425 10.018 20.775 1.00 0.00 C ATOM 1112 CE2 PHE C 74 27.505 10.716 22.082 1.00 0.00 C ATOM 1113 CZ PHE C 74 28.888 10.524 21.964 1.00 0.00 C ATOM 0 H PHE C 74 24.924 11.577 18.767 1.00 0.00 H new ATOM 0 HA PHE C 74 27.400 11.050 17.560 1.00 0.00 H new ATOM 0 HB2 PHE C 74 25.274 9.442 19.003 1.00 0.00 H new ATOM 0 HB3 PHE C 74 26.596 8.584 18.237 1.00 0.00 H new ATOM 0 HD1 PHE C 74 28.998 9.312 18.788 1.00 0.00 H new ATOM 0 HD2 PHE C 74 25.595 10.549 21.098 1.00 0.00 H new ATOM 0 HE1 PHE C 74 30.491 9.871 20.684 1.00 0.00 H new ATOM 0 HE2 PHE C 74 27.090 11.107 22.999 1.00 0.00 H new ATOM 0 HZ PHE C 74 29.539 10.767 22.791 1.00 0.00 H new ATOM 1123 N ASP C 75 24.795 9.744 15.990 1.00 0.00 N ATOM 1124 CA ASP C 75 24.375 9.168 14.718 1.00 0.00 C ATOM 1125 C ASP C 75 24.650 10.134 13.577 1.00 0.00 C ATOM 1126 O ASP C 75 25.153 9.745 12.522 1.00 0.00 O ATOM 1127 CB ASP C 75 22.880 8.842 14.759 1.00 0.00 C ATOM 1128 CG ASP C 75 22.633 7.600 15.610 1.00 0.00 C ATOM 1129 OD1 ASP C 75 22.659 6.514 15.056 1.00 0.00 O1- ATOM 1130 OD2 ASP C 75 22.415 7.753 16.801 1.00 0.00 O ATOM 0 H ASP C 75 24.039 9.902 16.656 1.00 0.00 H new ATOM 0 HA ASP C 75 24.943 8.253 14.552 1.00 0.00 H new ATOM 0 HB2 ASP C 75 22.327 9.688 15.168 1.00 0.00 H new ATOM 0 HB3 ASP C 75 22.509 8.678 13.747 1.00 0.00 H new ATOM 1135 N GLU C 76 24.329 11.403 13.798 1.00 0.00 N ATOM 1136 CA GLU C 76 24.557 12.419 12.782 1.00 0.00 C ATOM 1137 C GLU C 76 26.053 12.609 12.568 1.00 0.00 C ATOM 1138 O GLU C 76 26.514 12.778 11.442 1.00 0.00 O ATOM 1139 CB GLU C 76 23.906 13.741 13.192 1.00 0.00 C ATOM 1140 CG GLU C 76 22.383 13.587 13.184 1.00 0.00 C ATOM 1141 CD GLU C 76 21.728 14.890 13.628 1.00 0.00 C ATOM 1142 OE1 GLU C 76 22.091 15.382 14.683 1.00 0.00 O ATOM 1143 OE2 GLU C 76 20.873 15.378 12.905 1.00 0.00 O1- ATOM 0 H GLU C 76 23.914 11.749 14.663 1.00 0.00 H new ATOM 0 HA GLU C 76 24.104 12.090 11.847 1.00 0.00 H new ATOM 0 HB2 GLU C 76 24.247 14.033 14.185 1.00 0.00 H new ATOM 0 HB3 GLU C 76 24.205 14.534 12.506 1.00 0.00 H new ATOM 0 HG2 GLU C 76 22.041 13.320 12.184 1.00 0.00 H new ATOM 0 HG3 GLU C 76 22.087 12.776 13.849 1.00 0.00 H new ATOM 1150 N PHE C 77 26.807 12.565 13.663 1.00 0.00 N ATOM 1151 CA PHE C 77 28.256 12.719 13.588 1.00 0.00 C ATOM 1152 C PHE C 77 28.864 11.656 12.688 1.00 0.00 C ATOM 1153 O PHE C 77 29.658 11.966 11.798 1.00 0.00 O ATOM 1154 CB PHE C 77 28.869 12.610 14.990 1.00 0.00 C ATOM 1155 CG PHE C 77 30.330 12.225 14.880 1.00 0.00 C ATOM 1156 CD1 PHE C 77 31.185 12.937 14.029 1.00 0.00 C ATOM 1157 CD2 PHE C 77 30.829 11.146 15.627 1.00 0.00 C ATOM 1158 CE1 PHE C 77 32.534 12.572 13.924 1.00 0.00 C ATOM 1159 CE2 PHE C 77 32.180 10.784 15.524 1.00 0.00 C ATOM 1160 CZ PHE C 77 33.031 11.496 14.671 1.00 0.00 C ATOM 0 H PHE C 77 26.442 12.425 14.605 1.00 0.00 H new ATOM 0 HA PHE C 77 28.473 13.702 13.169 1.00 0.00 H new ATOM 0 HB2 PHE C 77 28.772 13.560 15.515 1.00 0.00 H new ATOM 0 HB3 PHE C 77 28.330 11.866 15.576 1.00 0.00 H new ATOM 0 HD1 PHE C 77 30.804 13.768 13.453 1.00 0.00 H new ATOM 0 HD2 PHE C 77 30.171 10.594 16.282 1.00 0.00 H new ATOM 0 HE1 PHE C 77 33.191 13.121 13.266 1.00 0.00 H new ATOM 0 HE2 PHE C 77 32.563 9.956 16.102 1.00 0.00 H new ATOM 0 HZ PHE C 77 34.071 11.216 14.589 1.00 0.00 H new ATOM 1170 N LEU C 78 28.487 10.403 12.914 1.00 0.00 N ATOM 1171 CA LEU C 78 29.016 9.317 12.099 1.00 0.00 C ATOM 1172 C LEU C 78 28.566 9.467 10.650 1.00 0.00 C ATOM 1173 O LEU C 78 29.339 9.241 9.719 1.00 0.00 O ATOM 1174 CB LEU C 78 28.550 7.963 12.647 1.00 0.00 C ATOM 1175 CG LEU C 78 29.651 7.346 13.519 1.00 0.00 C ATOM 1176 CD1 LEU C 78 29.948 8.260 14.710 1.00 0.00 C ATOM 1177 CD2 LEU C 78 29.191 5.981 14.030 1.00 0.00 C ATOM 0 H LEU C 78 27.830 10.117 13.640 1.00 0.00 H new ATOM 0 HA LEU C 78 30.104 9.362 12.137 1.00 0.00 H new ATOM 0 HB2 LEU C 78 27.640 8.092 13.232 1.00 0.00 H new ATOM 0 HB3 LEU C 78 28.307 7.292 11.823 1.00 0.00 H new ATOM 0 HG LEU C 78 30.556 7.229 12.922 1.00 0.00 H new ATOM 0 HD11 LEU C 78 30.731 7.815 15.324 1.00 0.00 H new ATOM 0 HD12 LEU C 78 30.280 9.233 14.348 1.00 0.00 H new ATOM 0 HD13 LEU C 78 29.045 8.384 15.307 1.00 0.00 H new ATOM 0 HD21 LEU C 78 29.973 5.542 14.650 1.00 0.00 H new ATOM 0 HD22 LEU C 78 28.284 6.101 14.622 1.00 0.00 H new ATOM 0 HD23 LEU C 78 28.988 5.325 13.183 1.00 0.00 H new ATOM 1189 N VAL C 79 27.310 9.846 10.473 1.00 0.00 N ATOM 1190 CA VAL C 79 26.753 10.026 9.141 1.00 0.00 C ATOM 1191 C VAL C 79 27.432 11.176 8.410 1.00 0.00 C ATOM 1192 O VAL C 79 27.671 11.104 7.208 1.00 0.00 O ATOM 1193 CB VAL C 79 25.248 10.289 9.224 1.00 0.00 C ATOM 1194 CG1 VAL C 79 24.716 10.668 7.840 1.00 0.00 C ATOM 1195 CG2 VAL C 79 24.534 9.027 9.714 1.00 0.00 C ATOM 0 H VAL C 79 26.657 10.035 11.234 1.00 0.00 H new ATOM 0 HA VAL C 79 26.930 9.108 8.581 1.00 0.00 H new ATOM 0 HB VAL C 79 25.063 11.106 9.921 1.00 0.00 H new ATOM 0 HG11 VAL C 79 23.644 10.855 7.901 1.00 0.00 H new ATOM 0 HG12 VAL C 79 25.222 11.568 7.490 1.00 0.00 H new ATOM 0 HG13 VAL C 79 24.903 9.852 7.142 1.00 0.00 H new ATOM 0 HG21 VAL C 79 23.462 9.215 9.773 1.00 0.00 H new ATOM 0 HG22 VAL C 79 24.721 8.209 9.018 1.00 0.00 H new ATOM 0 HG23 VAL C 79 24.910 8.756 10.701 1.00 0.00 H new ATOM 1205 N MET C 80 27.730 12.239 9.140 1.00 0.00 N ATOM 1206 CA MET C 80 28.367 13.402 8.549 1.00 0.00 C ATOM 1207 C MET C 80 29.727 13.026 8.003 1.00 0.00 C ATOM 1208 O MET C 80 30.119 13.454 6.915 1.00 0.00 O ATOM 1209 CB MET C 80 28.493 14.516 9.592 1.00 0.00 C ATOM 1210 CG MET C 80 29.147 15.753 8.969 1.00 0.00 C ATOM 1211 SD MET C 80 30.924 15.741 9.304 1.00 0.00 S ATOM 1212 CE MET C 80 30.834 16.430 10.977 1.00 0.00 C ATOM 0 H MET C 80 27.541 12.319 10.139 1.00 0.00 H new ATOM 0 HA MET C 80 27.753 13.767 7.726 1.00 0.00 H new ATOM 0 HB2 MET C 80 27.508 14.773 9.980 1.00 0.00 H new ATOM 0 HB3 MET C 80 29.088 14.168 10.437 1.00 0.00 H new ATOM 0 HG2 MET C 80 28.971 15.766 7.893 1.00 0.00 H new ATOM 0 HG3 MET C 80 28.697 16.658 9.377 1.00 0.00 H new ATOM 0 HE1 MET C 80 31.585 15.954 11.607 1.00 0.00 H new ATOM 0 HE2 MET C 80 31.019 17.503 10.939 1.00 0.00 H new ATOM 0 HE3 MET C 80 29.843 16.247 11.393 1.00 0.00 H new ATOM 1222 N MET C 81 30.445 12.220 8.764 1.00 0.00 N ATOM 1223 CA MET C 81 31.769 11.790 8.343 1.00 0.00 C ATOM 1224 C MET C 81 31.682 10.961 7.066 1.00 0.00 C ATOM 1225 O MET C 81 32.417 11.192 6.109 1.00 0.00 O ATOM 1226 CB MET C 81 32.425 10.967 9.449 1.00 0.00 C ATOM 1227 CG MET C 81 33.853 10.587 9.037 1.00 0.00 C ATOM 1228 SD MET C 81 33.824 9.119 7.977 1.00 0.00 S ATOM 1229 CE MET C 81 35.463 9.338 7.231 1.00 0.00 C ATOM 0 H MET C 81 30.140 11.853 9.666 1.00 0.00 H new ATOM 0 HA MET C 81 32.374 12.675 8.145 1.00 0.00 H new ATOM 0 HB2 MET C 81 32.444 11.538 10.377 1.00 0.00 H new ATOM 0 HB3 MET C 81 31.840 10.067 9.641 1.00 0.00 H new ATOM 0 HG2 MET C 81 34.321 11.418 8.509 1.00 0.00 H new ATOM 0 HG3 MET C 81 34.456 10.393 9.924 1.00 0.00 H new ATOM 0 HE1 MET C 81 35.655 8.526 6.530 1.00 0.00 H new ATOM 0 HE2 MET C 81 35.498 10.290 6.702 1.00 0.00 H new ATOM 0 HE3 MET C 81 36.223 9.329 8.013 1.00 0.00 H new ATOM 1239 N VAL C 82 30.770 9.995 7.062 1.00 0.00 N ATOM 1240 CA VAL C 82 30.586 9.136 5.900 1.00 0.00 C ATOM 1241 C VAL C 82 30.009 9.927 4.729 1.00 0.00 C ATOM 1242 O VAL C 82 30.421 9.747 3.585 1.00 0.00 O ATOM 1243 CB VAL C 82 29.665 7.965 6.247 1.00 0.00 C ATOM 1244 CG1 VAL C 82 29.344 7.177 4.974 1.00 0.00 C ATOM 1245 CG2 VAL C 82 30.370 7.045 7.248 1.00 0.00 C ATOM 0 H VAL C 82 30.150 9.789 7.846 1.00 0.00 H new ATOM 0 HA VAL C 82 31.560 8.745 5.606 1.00 0.00 H new ATOM 0 HB VAL C 82 28.742 8.344 6.685 1.00 0.00 H new ATOM 0 HG11 VAL C 82 28.688 6.342 5.219 1.00 0.00 H new ATOM 0 HG12 VAL C 82 28.847 7.831 4.257 1.00 0.00 H new ATOM 0 HG13 VAL C 82 30.268 6.797 4.539 1.00 0.00 H new ATOM 0 HG21 VAL C 82 29.716 6.209 7.497 1.00 0.00 H new ATOM 0 HG22 VAL C 82 31.292 6.665 6.807 1.00 0.00 H new ATOM 0 HG23 VAL C 82 30.605 7.605 8.153 1.00 0.00 H new ATOM 1255 N ARG C 83 29.049 10.798 5.021 1.00 0.00 N ATOM 1256 CA ARG C 83 28.422 11.600 3.988 1.00 0.00 C ATOM 1257 C ARG C 83 29.451 12.460 3.266 1.00 0.00 C ATOM 1258 O ARG C 83 29.434 12.558 2.038 1.00 0.00 O ATOM 1259 CB ARG C 83 27.361 12.493 4.621 1.00 0.00 C ATOM 1260 CG ARG C 83 26.721 13.371 3.550 1.00 0.00 C ATOM 1261 CD ARG C 83 25.535 14.102 4.163 1.00 0.00 C ATOM 1262 NE ARG C 83 24.947 15.015 3.187 1.00 0.00 N ATOM 1263 CZ ARG C 83 25.412 16.257 3.038 1.00 0.00 C ATOM 1264 NH1 ARG C 83 26.393 16.681 3.786 1.00 0.00 N ATOM 1265 NH2 ARG C 83 24.889 17.054 2.143 1.00 0.00 N1+ ATOM 0 H ARG C 83 28.692 10.963 5.962 1.00 0.00 H new ATOM 0 HA ARG C 83 27.962 10.933 3.259 1.00 0.00 H new ATOM 0 HB2 ARG C 83 26.600 11.882 5.106 1.00 0.00 H new ATOM 0 HB3 ARG C 83 27.811 13.116 5.394 1.00 0.00 H new ATOM 0 HG2 ARG C 83 27.447 14.086 3.164 1.00 0.00 H new ATOM 0 HG3 ARG C 83 26.395 12.762 2.707 1.00 0.00 H new ATOM 0 HD2 ARG C 83 24.787 13.382 4.495 1.00 0.00 H new ATOM 0 HD3 ARG C 83 25.857 14.657 5.044 1.00 0.00 H new ATOM 0 HE ARG C 83 24.168 14.698 2.610 1.00 0.00 H new ATOM 0 HH11 ARG C 83 26.805 16.063 4.485 1.00 0.00 H new ATOM 0 HH12 ARG C 83 26.748 17.630 3.672 1.00 0.00 H new ATOM 0 HH21 ARG C 83 24.122 16.727 1.555 1.00 0.00 H new ATOM 0 HH22 ARG C 83 25.248 18.002 2.033 1.00 0.00 H new ATOM 1279 N CYS C 84 30.339 13.091 4.024 1.00 0.00 N ATOM 1280 CA CYS C 84 31.353 13.941 3.418 1.00 0.00 C ATOM 1281 C CYS C 84 32.299 13.102 2.565 1.00 0.00 C ATOM 1282 O CYS C 84 32.706 13.519 1.481 1.00 0.00 O ATOM 1283 CB CYS C 84 32.150 14.663 4.504 1.00 0.00 C ATOM 1284 SG CYS C 84 33.381 13.532 5.198 1.00 0.00 S ATOM 0 H CYS C 84 30.378 13.032 5.042 1.00 0.00 H new ATOM 0 HA CYS C 84 30.858 14.678 2.786 1.00 0.00 H new ATOM 0 HB2 CYS C 84 32.642 15.542 4.086 1.00 0.00 H new ATOM 0 HB3 CYS C 84 31.480 15.015 5.289 1.00 0.00 H new ATOM 0 HG CYS C 84 32.807 12.412 5.524 1.00 0.00 H new ATOM 1290 N MET C 85 32.640 11.916 3.060 1.00 0.00 N ATOM 1291 CA MET C 85 33.537 11.028 2.327 1.00 0.00 C ATOM 1292 C MET C 85 32.867 10.510 1.055 1.00 0.00 C ATOM 1293 O MET C 85 33.494 10.435 -0.001 1.00 0.00 O ATOM 1294 CB MET C 85 33.946 9.847 3.214 1.00 0.00 C ATOM 1295 CG MET C 85 35.081 9.067 2.543 1.00 0.00 C ATOM 1296 SD MET C 85 36.590 10.068 2.554 1.00 0.00 S ATOM 1297 CE MET C 85 37.580 9.004 1.476 1.00 0.00 C ATOM 0 H MET C 85 32.314 11.550 3.955 1.00 0.00 H new ATOM 0 HA MET C 85 34.425 11.594 2.046 1.00 0.00 H new ATOM 0 HB2 MET C 85 34.268 10.208 4.191 1.00 0.00 H new ATOM 0 HB3 MET C 85 33.091 9.192 3.381 1.00 0.00 H new ATOM 0 HG2 MET C 85 35.251 8.127 3.069 1.00 0.00 H new ATOM 0 HG3 MET C 85 34.807 8.814 1.519 1.00 0.00 H new ATOM 0 HE1 MET C 85 38.570 9.440 1.344 1.00 0.00 H new ATOM 0 HE2 MET C 85 37.676 8.017 1.928 1.00 0.00 H new ATOM 0 HE3 MET C 85 37.091 8.913 0.506 1.00 0.00 H new ATOM 1307 N LYS C 86 31.592 10.146 1.165 1.00 0.00 N ATOM 1308 CA LYS C 86 30.852 9.631 0.029 1.00 0.00 C ATOM 1309 C LYS C 86 30.751 10.688 -1.068 1.00 0.00 C ATOM 1310 O LYS C 86 30.904 10.388 -2.252 1.00 0.00 O ATOM 1311 CB LYS C 86 29.453 9.218 0.484 1.00 0.00 C ATOM 1312 CG LYS C 86 28.744 8.517 -0.667 1.00 0.00 C ATOM 1313 CD LYS C 86 27.349 8.068 -0.225 1.00 0.00 C ATOM 1314 CE LYS C 86 26.701 7.234 -1.335 1.00 0.00 C ATOM 1315 NZ LYS C 86 26.555 8.062 -2.567 1.00 0.00 N1+ ATOM 0 H LYS C 86 31.055 10.200 2.031 1.00 0.00 H new ATOM 0 HA LYS C 86 31.377 8.765 -0.375 1.00 0.00 H new ATOM 0 HB2 LYS C 86 29.518 8.554 1.346 1.00 0.00 H new ATOM 0 HB3 LYS C 86 28.885 10.094 0.798 1.00 0.00 H new ATOM 0 HG2 LYS C 86 28.665 9.190 -1.521 1.00 0.00 H new ATOM 0 HG3 LYS C 86 29.326 7.655 -0.993 1.00 0.00 H new ATOM 0 HD2 LYS C 86 27.418 7.481 0.691 1.00 0.00 H new ATOM 0 HD3 LYS C 86 26.730 8.937 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS C 86 27.311 6.356 -1.546 1.00 0.00 H new ATOM 0 HE3 LYS C 86 25.725 6.874 -1.010 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 25.886 7.602 -3.217 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 26.197 9.004 -2.311 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 27.480 8.158 -3.033 1.00 0.00 H new ATOM 1329 N ASP C 87 30.492 11.927 -0.663 1.00 0.00 N ATOM 1330 CA ASP C 87 30.372 13.023 -1.617 1.00 0.00 C ATOM 1331 C ASP C 87 29.179 12.796 -2.540 1.00 0.00 C ATOM 1332 O ASP C 87 28.395 11.870 -2.335 1.00 0.00 O ATOM 1333 CB ASP C 87 31.653 13.138 -2.445 1.00 0.00 C ATOM 1334 CG ASP C 87 31.779 14.547 -3.015 1.00 0.00 C ATOM 1335 OD1 ASP C 87 31.569 15.488 -2.269 1.00 0.00 O ATOM 1336 OD2 ASP C 87 32.082 14.663 -4.192 1.00 0.00 O1- ATOM 0 H ASP C 87 30.362 12.196 0.312 1.00 0.00 H new ATOM 0 HA ASP C 87 30.217 13.950 -1.064 1.00 0.00 H new ATOM 0 HB2 ASP C 87 32.519 12.909 -1.824 1.00 0.00 H new ATOM 0 HB3 ASP C 87 31.639 12.409 -3.255 1.00 0.00 H new ATOM 1341 N ASP C 88 29.054 13.646 -3.555 1.00 0.00 N ATOM 1342 CA ASP C 88 27.958 13.535 -4.510 1.00 0.00 C ATOM 1343 C ASP C 88 28.500 13.318 -5.916 1.00 0.00 C ATOM 1344 O ASP C 88 28.456 14.214 -6.757 1.00 0.00 O ATOM 1345 CB ASP C 88 27.115 14.811 -4.485 1.00 0.00 C ATOM 1346 CG ASP C 88 26.574 15.051 -3.080 1.00 0.00 C ATOM 1347 OD1 ASP C 88 26.278 14.079 -2.406 1.00 0.00 O ATOM 1348 OD2 ASP C 88 26.463 16.205 -2.700 1.00 0.00 O1- ATOM 0 H ASP C 88 29.697 14.417 -3.737 1.00 0.00 H new ATOM 0 HA ASP C 88 27.340 12.682 -4.230 1.00 0.00 H new ATOM 0 HB2 ASP C 88 27.719 15.662 -4.801 1.00 0.00 H new ATOM 0 HB3 ASP C 88 26.290 14.725 -5.192 1.00 0.00 H new ATOM 1353 N SER C 89 29.005 12.119 -6.160 1.00 0.00 N ATOM 1354 CA SER C 89 29.553 11.780 -7.468 1.00 0.00 C ATOM 1355 C SER C 89 30.866 12.518 -7.712 1.00 0.00 C ATOM 1356 O SER C 89 31.551 12.807 -6.745 1.00 0.00 O ATOM 1357 CB SER C 89 28.551 12.143 -8.563 1.00 0.00 C ATOM 1358 OG SER C 89 28.803 13.469 -9.009 1.00 0.00 O ATOM 1359 OXT SER C 89 31.166 12.784 -8.864 1.00 0.00 O ATOM 0 H SER C 89 29.048 11.366 -5.474 1.00 0.00 H new ATOM 0 HA SER C 89 29.745 10.707 -7.491 1.00 0.00 H new ATOM 0 HB2 SER C 89 28.636 11.445 -9.396 1.00 0.00 H new ATOM 0 HB3 SER C 89 27.533 12.062 -8.182 1.00 0.00 H new ATOM 0 HG SER C 89 28.460 14.107 -8.349 1.00 0.00 H new TER 1365 SER C 89 ATOM 1366 N ARG I 144 35.853 34.356 -2.433 1.00 0.00 N ATOM 1367 CA ARG I 144 34.962 34.214 -1.248 1.00 0.00 C ATOM 1368 C ARG I 144 34.285 32.848 -1.278 1.00 0.00 C ATOM 1369 O ARG I 144 33.158 32.689 -0.807 1.00 0.00 O ATOM 1370 CB ARG I 144 33.915 35.327 -1.273 1.00 0.00 C ATOM 1371 CG ARG I 144 33.060 35.199 -2.535 1.00 0.00 C ATOM 1372 CD ARG I 144 32.124 36.404 -2.639 1.00 0.00 C ATOM 1373 NE ARG I 144 31.274 36.286 -3.819 1.00 0.00 N ATOM 1374 CZ ARG I 144 31.711 36.643 -5.022 1.00 0.00 C ATOM 1375 NH1 ARG I 144 32.919 37.120 -5.165 1.00 0.00 N ATOM 1376 NH2 ARG I 144 30.933 36.519 -6.062 1.00 0.00 N1+ ATOM 0 HA ARG I 144 35.547 34.294 -0.332 1.00 0.00 H new ATOM 0 HB2 ARG I 144 33.284 35.266 -0.386 1.00 0.00 H new ATOM 0 HB3 ARG I 144 34.404 36.301 -1.250 1.00 0.00 H new ATOM 0 HG2 ARG I 144 33.699 35.144 -3.416 1.00 0.00 H new ATOM 0 HG3 ARG I 144 32.481 34.276 -2.503 1.00 0.00 H new ATOM 0 HD2 ARG I 144 31.507 36.472 -1.743 1.00 0.00 H new ATOM 0 HD3 ARG I 144 32.708 37.323 -2.694 1.00 0.00 H new ATOM 0 HE ARG I 144 30.326 35.923 -3.719 1.00 0.00 H new ATOM 0 HH11 ARG I 144 33.528 37.219 -4.353 1.00 0.00 H new ATOM 0 HH12 ARG I 144 33.253 37.394 -6.089 1.00 0.00 H new ATOM 0 HH21 ARG I 144 29.989 36.148 -5.952 1.00 0.00 H new ATOM 0 HH22 ARG I 144 31.268 36.793 -6.985 1.00 0.00 H new ATOM 1392 N ARG I 145 34.984 31.861 -1.830 1.00 0.00 N ATOM 1393 CA ARG I 145 34.448 30.508 -1.911 1.00 0.00 C ATOM 1394 C ARG I 145 34.215 29.944 -0.515 1.00 0.00 C ATOM 1395 O ARG I 145 33.228 29.251 -0.271 1.00 0.00 O ATOM 1396 CB ARG I 145 35.416 29.605 -2.680 1.00 0.00 C ATOM 1397 CG ARG I 145 35.411 29.998 -4.159 1.00 0.00 C ATOM 1398 CD ARG I 145 36.503 29.226 -4.898 1.00 0.00 C ATOM 1399 NE ARG I 145 36.458 29.527 -6.325 1.00 0.00 N ATOM 1400 CZ ARG I 145 37.405 29.091 -7.149 1.00 0.00 C ATOM 1401 NH1 ARG I 145 38.397 28.382 -6.685 1.00 0.00 N ATOM 1402 NH2 ARG I 145 37.341 29.371 -8.422 1.00 0.00 N1+ ATOM 0 H ARG I 145 35.918 31.972 -2.226 1.00 0.00 H new ATOM 0 HA ARG I 145 33.495 30.544 -2.439 1.00 0.00 H new ATOM 0 HB2 ARG I 145 36.422 29.699 -2.271 1.00 0.00 H new ATOM 0 HB3 ARG I 145 35.123 28.561 -2.569 1.00 0.00 H new ATOM 0 HG2 ARG I 145 34.438 29.783 -4.600 1.00 0.00 H new ATOM 0 HG3 ARG I 145 35.577 31.070 -4.261 1.00 0.00 H new ATOM 0 HD2 ARG I 145 37.481 29.489 -4.494 1.00 0.00 H new ATOM 0 HD3 ARG I 145 36.371 28.155 -4.741 1.00 0.00 H new ATOM 0 HE ARG I 145 35.687 30.081 -6.696 1.00 0.00 H new ATOM 0 HH11 ARG I 145 38.445 28.163 -5.690 1.00 0.00 H new ATOM 0 HH12 ARG I 145 39.124 28.047 -7.317 1.00 0.00 H new ATOM 0 HH21 ARG I 145 36.564 29.924 -8.784 1.00 0.00 H new ATOM 0 HH22 ARG I 145 38.068 29.037 -9.055 1.00 0.00 H new ATOM 1416 N VAL I 146 35.134 30.239 0.400 1.00 0.00 N ATOM 1417 CA VAL I 146 35.018 29.750 1.769 1.00 0.00 C ATOM 1418 C VAL I 146 34.623 28.278 1.773 1.00 0.00 C ATOM 1419 O VAL I 146 33.483 27.931 2.083 1.00 0.00 O ATOM 1420 CB VAL I 146 33.967 30.562 2.529 1.00 0.00 C ATOM 1421 CG1 VAL I 146 34.055 30.245 4.024 1.00 0.00 C ATOM 1422 CG2 VAL I 146 34.216 32.055 2.311 1.00 0.00 C ATOM 0 H VAL I 146 35.960 30.809 0.220 1.00 0.00 H new ATOM 0 HA VAL I 146 35.985 29.861 2.259 1.00 0.00 H new ATOM 0 HB VAL I 146 32.975 30.301 2.160 1.00 0.00 H new ATOM 0 HG11 VAL I 146 33.306 30.824 4.563 1.00 0.00 H new ATOM 0 HG12 VAL I 146 33.874 29.182 4.182 1.00 0.00 H new ATOM 0 HG13 VAL I 146 35.048 30.503 4.393 1.00 0.00 H new ATOM 0 HG21 VAL I 146 33.467 32.632 2.853 1.00 0.00 H new ATOM 0 HG22 VAL I 146 35.209 32.316 2.677 1.00 0.00 H new ATOM 0 HG23 VAL I 146 34.150 32.283 1.247 1.00 0.00 H new ATOM 1432 N ARG I 147 35.576 27.418 1.423 1.00 0.00 N ATOM 1433 CA ARG I 147 35.322 25.983 1.381 1.00 0.00 C ATOM 1434 C ARG I 147 36.444 25.224 2.079 1.00 0.00 C ATOM 1435 O ARG I 147 37.588 25.679 2.116 1.00 0.00 O ATOM 1436 CB ARG I 147 35.211 25.520 -0.074 1.00 0.00 C ATOM 1437 CG ARG I 147 36.491 25.889 -0.830 1.00 0.00 C ATOM 1438 CD ARG I 147 36.384 25.419 -2.284 1.00 0.00 C ATOM 1439 NE ARG I 147 36.397 23.963 -2.351 1.00 0.00 N ATOM 1440 CZ ARG I 147 36.191 23.327 -3.499 1.00 0.00 C ATOM 1441 NH1 ARG I 147 35.963 24.007 -4.591 1.00 0.00 N ATOM 1442 NH2 ARG I 147 36.214 22.023 -3.538 1.00 0.00 N1+ ATOM 0 H ARG I 147 36.525 27.689 1.166 1.00 0.00 H new ATOM 0 HA ARG I 147 34.385 25.778 1.899 1.00 0.00 H new ATOM 0 HB2 ARG I 147 35.052 24.442 -0.112 1.00 0.00 H new ATOM 0 HB3 ARG I 147 34.348 25.986 -0.550 1.00 0.00 H new ATOM 0 HG2 ARG I 147 36.647 26.967 -0.797 1.00 0.00 H new ATOM 0 HG3 ARG I 147 37.354 25.427 -0.351 1.00 0.00 H new ATOM 0 HD2 ARG I 147 35.466 25.801 -2.730 1.00 0.00 H new ATOM 0 HD3 ARG I 147 37.213 25.823 -2.865 1.00 0.00 H new ATOM 0 HE ARG I 147 36.567 23.423 -1.502 1.00 0.00 H new ATOM 0 HH11 ARG I 147 35.943 25.026 -4.562 1.00 0.00 H new ATOM 0 HH12 ARG I 147 35.805 23.518 -5.472 1.00 0.00 H new ATOM 0 HH21 ARG I 147 36.390 21.490 -2.686 1.00 0.00 H new ATOM 0 HH22 ARG I 147 36.056 21.536 -4.420 1.00 0.00 H new ATOM 1456 N ILE I 148 36.110 24.064 2.634 1.00 0.00 N ATOM 1457 CA ILE I 148 37.099 23.250 3.332 1.00 0.00 C ATOM 1458 C ILE I 148 36.906 21.776 2.998 1.00 0.00 C ATOM 1459 O ILE I 148 35.793 21.252 3.075 1.00 0.00 O ATOM 1460 CB ILE I 148 36.963 23.455 4.844 1.00 0.00 C ATOM 1461 CG1 ILE I 148 38.144 22.795 5.564 1.00 0.00 C ATOM 1462 CG2 ILE I 148 35.656 22.824 5.330 1.00 0.00 C ATOM 1463 CD1 ILE I 148 38.135 23.201 7.040 1.00 0.00 C ATOM 0 H ILE I 148 35.170 23.668 2.615 1.00 0.00 H new ATOM 0 HA ILE I 148 38.094 23.557 3.010 1.00 0.00 H new ATOM 0 HB ILE I 148 36.957 24.523 5.062 1.00 0.00 H new ATOM 0 HG12 ILE I 148 38.078 21.711 5.474 1.00 0.00 H new ATOM 0 HG13 ILE I 148 39.082 23.097 5.099 1.00 0.00 H new ATOM 0 HG21 ILE I 148 35.559 22.970 6.406 1.00 0.00 H new ATOM 0 HG22 ILE I 148 34.814 23.295 4.823 1.00 0.00 H new ATOM 0 HG23 ILE I 148 35.662 21.757 5.108 1.00 0.00 H new ATOM 0 HD11 ILE I 148 38.975 22.731 7.552 1.00 0.00 H new ATOM 0 HD12 ILE I 148 38.221 24.285 7.120 1.00 0.00 H new ATOM 0 HD13 ILE I 148 37.202 22.876 7.501 1.00 0.00 H new ATOM 1475 N SER I 149 37.993 21.111 2.627 1.00 0.00 N ATOM 1476 CA SER I 149 37.929 19.696 2.283 1.00 0.00 C ATOM 1477 C SER I 149 37.868 18.840 3.544 1.00 0.00 C ATOM 1478 O SER I 149 38.522 19.143 4.543 1.00 0.00 O ATOM 1479 CB SER I 149 39.154 19.305 1.457 1.00 0.00 C ATOM 1480 OG SER I 149 39.163 20.051 0.246 1.00 0.00 O ATOM 0 H SER I 149 38.923 21.525 2.557 1.00 0.00 H new ATOM 0 HA SER I 149 37.026 19.524 1.697 1.00 0.00 H new ATOM 0 HB2 SER I 149 40.065 19.498 2.023 1.00 0.00 H new ATOM 0 HB3 SER I 149 39.134 18.237 1.239 1.00 0.00 H new ATOM 0 HG SER I 149 39.949 19.803 -0.285 1.00 0.00 H new ATOM 1486 N ALA I 150 37.086 17.767 3.487 1.00 0.00 N ATOM 1487 CA ALA I 150 36.947 16.864 4.626 1.00 0.00 C ATOM 1488 C ALA I 150 38.293 16.245 4.987 1.00 0.00 C ATOM 1489 O ALA I 150 38.544 15.910 6.144 1.00 0.00 O ATOM 1490 CB ALA I 150 35.943 15.757 4.298 1.00 0.00 C ATOM 0 H ALA I 150 36.540 17.501 2.667 1.00 0.00 H new ATOM 0 HA ALA I 150 36.585 17.439 5.478 1.00 0.00 H new ATOM 0 HB1 ALA I 150 35.846 15.089 5.153 1.00 0.00 H new ATOM 0 HB2 ALA I 150 34.973 16.201 4.072 1.00 0.00 H new ATOM 0 HB3 ALA I 150 36.293 15.192 3.434 1.00 0.00 H new ATOM 1496 N ASP I 151 39.153 16.091 3.989 1.00 0.00 N ATOM 1497 CA ASP I 151 40.467 15.503 4.212 1.00 0.00 C ATOM 1498 C ASP I 151 41.256 16.329 5.222 1.00 0.00 C ATOM 1499 O ASP I 151 41.977 15.781 6.056 1.00 0.00 O ATOM 1500 CB ASP I 151 41.240 15.445 2.897 1.00 0.00 C ATOM 1501 CG ASP I 151 40.628 14.394 1.979 1.00 0.00 C ATOM 1502 OD1 ASP I 151 39.857 13.584 2.468 1.00 0.00 O ATOM 1503 OD2 ASP I 151 40.934 14.419 0.798 1.00 0.00 O1- ATOM 0 H ASP I 151 38.966 16.363 3.024 1.00 0.00 H new ATOM 0 HA ASP I 151 40.332 14.495 4.603 1.00 0.00 H new ATOM 0 HB2 ASP I 151 41.220 16.420 2.411 1.00 0.00 H new ATOM 0 HB3 ASP I 151 42.286 15.206 3.091 1.00 0.00 H new ATOM 1508 N ALA I 152 41.119 17.646 5.141 1.00 0.00 N ATOM 1509 CA ALA I 152 41.831 18.527 6.057 1.00 0.00 C ATOM 1510 C ALA I 152 41.417 18.246 7.499 1.00 0.00 C ATOM 1511 O ALA I 152 42.256 18.236 8.400 1.00 0.00 O ATOM 1512 CB ALA I 152 41.533 19.988 5.717 1.00 0.00 C ATOM 0 H ALA I 152 40.529 18.123 4.459 1.00 0.00 H new ATOM 0 HA ALA I 152 42.900 18.341 5.952 1.00 0.00 H new ATOM 0 HB1 ALA I 152 42.070 20.639 6.407 1.00 0.00 H new ATOM 0 HB2 ALA I 152 41.855 20.197 4.697 1.00 0.00 H new ATOM 0 HB3 ALA I 152 40.462 20.171 5.804 1.00 0.00 H new ATOM 1518 N MET I 153 40.125 18.018 7.711 1.00 0.00 N ATOM 1519 CA MET I 153 39.627 17.741 9.053 1.00 0.00 C ATOM 1520 C MET I 153 40.247 16.464 9.611 1.00 0.00 C ATOM 1521 O MET I 153 40.668 16.423 10.767 1.00 0.00 O ATOM 1522 CB MET I 153 38.106 17.586 9.021 1.00 0.00 C ATOM 1523 CG MET I 153 37.458 18.944 8.754 1.00 0.00 C ATOM 1524 SD MET I 153 35.659 18.749 8.698 1.00 0.00 S ATOM 1525 CE MET I 153 35.244 20.508 8.640 1.00 0.00 C ATOM 0 H MET I 153 39.412 18.019 6.981 1.00 0.00 H new ATOM 0 HA MET I 153 39.902 18.577 9.696 1.00 0.00 H new ATOM 0 HB2 MET I 153 37.819 16.876 8.245 1.00 0.00 H new ATOM 0 HB3 MET I 153 37.751 17.183 9.970 1.00 0.00 H new ATOM 0 HG2 MET I 153 37.734 19.651 9.536 1.00 0.00 H new ATOM 0 HG3 MET I 153 37.820 19.353 7.811 1.00 0.00 H new ATOM 0 HE1 MET I 153 34.161 20.625 8.600 1.00 0.00 H new ATOM 0 HE2 MET I 153 35.630 21.003 9.531 1.00 0.00 H new ATOM 0 HE3 MET I 153 35.690 20.958 7.753 1.00 0.00 H new ATOM 1535 N MET I 154 40.310 15.427 8.783 1.00 0.00 N ATOM 1536 CA MET I 154 40.890 14.162 9.213 1.00 0.00 C ATOM 1537 C MET I 154 42.374 14.325 9.523 1.00 0.00 C ATOM 1538 O MET I 154 42.873 13.798 10.518 1.00 0.00 O ATOM 1539 CB MET I 154 40.711 13.104 8.123 1.00 0.00 C ATOM 1540 CG MET I 154 39.269 12.586 8.132 1.00 0.00 C ATOM 1541 SD MET I 154 38.115 13.968 7.951 1.00 0.00 S ATOM 1542 CE MET I 154 37.278 13.778 9.545 1.00 0.00 C ATOM 0 H MET I 154 39.971 15.437 7.821 1.00 0.00 H new ATOM 0 HA MET I 154 40.374 13.843 10.119 1.00 0.00 H new ATOM 0 HB2 MET I 154 40.948 13.530 7.148 1.00 0.00 H new ATOM 0 HB3 MET I 154 41.404 12.279 8.287 1.00 0.00 H new ATOM 0 HG2 MET I 154 39.125 11.872 7.321 1.00 0.00 H new ATOM 0 HG3 MET I 154 39.070 12.055 9.063 1.00 0.00 H new ATOM 0 HE1 MET I 154 36.585 14.606 9.693 1.00 0.00 H new ATOM 0 HE2 MET I 154 36.727 12.837 9.557 1.00 0.00 H new ATOM 0 HE3 MET I 154 38.017 13.776 10.346 1.00 0.00 H new ATOM 1552 N GLN I 155 43.074 15.053 8.663 1.00 0.00 N ATOM 1553 CA GLN I 155 44.500 15.274 8.855 1.00 0.00 C ATOM 1554 C GLN I 155 44.745 16.125 10.098 1.00 0.00 C ATOM 1555 O GLN I 155 45.666 15.865 10.872 1.00 0.00 O ATOM 1556 CB GLN I 155 45.077 15.974 7.625 1.00 0.00 C ATOM 1557 CG GLN I 155 45.059 15.010 6.438 1.00 0.00 C ATOM 1558 CD GLN I 155 45.444 15.748 5.160 1.00 0.00 C ATOM 1559 OE1 GLN I 155 45.127 16.927 5.006 1.00 0.00 O ATOM 1560 NE2 GLN I 155 46.120 15.124 4.235 1.00 0.00 N ATOM 0 H GLN I 155 42.681 15.497 7.833 1.00 0.00 H new ATOM 0 HA GLN I 155 44.992 14.311 8.991 1.00 0.00 H new ATOM 0 HB2 GLN I 155 44.494 16.865 7.393 1.00 0.00 H new ATOM 0 HB3 GLN I 155 46.097 16.303 7.825 1.00 0.00 H new ATOM 0 HG2 GLN I 155 45.753 14.188 6.616 1.00 0.00 H new ATOM 0 HG3 GLN I 155 44.067 14.572 6.330 1.00 0.00 H new ATOM 0 HE21 GLN I 155 46.381 14.147 4.366 1.00 0.00 H new ATOM 0 HE22 GLN I 155 46.387 15.613 3.381 1.00 0.00 H new ATOM 1569 N ALA I 156 43.905 17.142 10.281 1.00 0.00 N ATOM 1570 CA ALA I 156 44.025 18.030 11.432 1.00 0.00 C ATOM 1571 C ALA I 156 43.807 17.263 12.730 1.00 0.00 C ATOM 1572 O ALA I 156 44.494 17.498 13.724 1.00 0.00 O ATOM 1573 CB ALA I 156 43.004 19.165 11.329 1.00 0.00 C ATOM 0 H ALA I 156 43.137 17.370 9.649 1.00 0.00 H new ATOM 0 HA ALA I 156 45.032 18.448 11.437 1.00 0.00 H new ATOM 0 HB1 ALA I 156 43.102 19.822 12.193 1.00 0.00 H new ATOM 0 HB2 ALA I 156 43.184 19.735 10.417 1.00 0.00 H new ATOM 0 HB3 ALA I 156 41.997 18.748 11.303 1.00 0.00 H new ATOM 1579 N LEU I 157 42.845 16.348 12.712 1.00 0.00 N ATOM 1580 CA LEU I 157 42.544 15.553 13.894 1.00 0.00 C ATOM 1581 C LEU I 157 43.750 14.716 14.289 1.00 0.00 C ATOM 1582 O LEU I 157 44.154 13.807 13.562 1.00 0.00 O ATOM 1583 CB LEU I 157 41.349 14.638 13.611 1.00 0.00 C ATOM 1584 CG LEU I 157 40.039 15.358 13.952 1.00 0.00 C ATOM 1585 CD1 LEU I 157 38.901 14.766 13.120 1.00 0.00 C ATOM 1586 CD2 LEU I 157 39.717 15.154 15.436 1.00 0.00 C ATOM 0 H LEU I 157 42.265 16.140 11.899 1.00 0.00 H new ATOM 0 HA LEU I 157 42.299 16.225 14.716 1.00 0.00 H new ATOM 0 HB2 LEU I 157 41.348 14.343 12.562 1.00 0.00 H new ATOM 0 HB3 LEU I 157 41.434 13.724 14.199 1.00 0.00 H new ATOM 0 HG LEU I 157 40.146 16.421 13.735 1.00 0.00 H new ATOM 0 HD11 LEU I 157 37.969 15.277 13.362 1.00 0.00 H new ATOM 0 HD12 LEU I 157 39.121 14.894 12.060 1.00 0.00 H new ATOM 0 HD13 LEU I 157 38.801 13.704 13.344 1.00 0.00 H new ATOM 0 HD21 LEU I 157 38.786 15.665 15.680 1.00 0.00 H new ATOM 0 HD22 LEU I 157 39.611 14.089 15.642 1.00 0.00 H new ATOM 0 HD23 LEU I 157 40.525 15.562 16.043 1.00 0.00 H new ATOM 1598 N LEU I 158 44.319 15.035 15.447 1.00 0.00 N ATOM 1599 CA LEU I 158 45.481 14.314 15.946 1.00 0.00 C ATOM 1600 C LEU I 158 46.439 13.987 14.803 1.00 0.00 C ATOM 1601 O LEU I 158 47.115 14.869 14.274 1.00 0.00 O ATOM 1602 CB LEU I 158 45.027 13.024 16.634 1.00 0.00 C ATOM 1603 CG LEU I 158 44.072 13.356 17.788 1.00 0.00 C ATOM 1604 CD1 LEU I 158 43.570 12.056 18.418 1.00 0.00 C ATOM 1605 CD2 LEU I 158 44.798 14.185 18.855 1.00 0.00 C ATOM 0 H LEU I 158 43.994 15.787 16.055 1.00 0.00 H new ATOM 0 HA LEU I 158 46.005 14.943 16.666 1.00 0.00 H new ATOM 0 HB2 LEU I 158 44.530 12.373 15.915 1.00 0.00 H new ATOM 0 HB3 LEU I 158 45.892 12.479 17.012 1.00 0.00 H new ATOM 0 HG LEU I 158 43.232 13.932 17.399 1.00 0.00 H new ATOM 0 HD11 LEU I 158 42.891 12.288 19.239 1.00 0.00 H new ATOM 0 HD12 LEU I 158 43.044 11.467 17.667 1.00 0.00 H new ATOM 0 HD13 LEU I 158 44.417 11.485 18.798 1.00 0.00 H new ATOM 0 HD21 LEU I 158 44.110 14.414 19.668 1.00 0.00 H new ATOM 0 HD22 LEU I 158 45.643 13.617 19.244 1.00 0.00 H new ATOM 0 HD23 LEU I 158 45.158 15.114 18.412 1.00 0.00 H new ATOM 1617 N GLY I 159 46.487 12.716 14.426 1.00 0.00 N ATOM 1618 CA GLY I 159 47.359 12.282 13.344 1.00 0.00 C ATOM 1619 C GLY I 159 46.726 11.136 12.565 1.00 0.00 C ATOM 1620 O GLY I 159 47.424 10.258 12.057 1.00 0.00 O ATOM 0 H GLY I 159 45.935 11.971 14.851 1.00 0.00 H new ATOM 0 HA2 GLY I 159 47.557 13.118 12.673 1.00 0.00 H new ATOM 0 HA3 GLY I 159 48.319 11.965 13.750 1.00 0.00 H new ATOM 1624 N ALA I 160 45.399 11.145 12.479 1.00 0.00 N ATOM 1625 CA ALA I 160 44.686 10.094 11.761 1.00 0.00 C ATOM 1626 C ALA I 160 45.114 10.066 10.298 1.00 0.00 C ATOM 1627 O ALA I 160 45.328 11.111 9.684 1.00 0.00 O ATOM 1628 CB ALA I 160 43.177 10.332 11.845 1.00 0.00 C ATOM 0 H ALA I 160 44.801 11.860 12.893 1.00 0.00 H new ATOM 0 HA ALA I 160 44.928 9.136 12.222 1.00 0.00 H new ATOM 0 HB1 ALA I 160 42.654 9.542 11.306 1.00 0.00 H new ATOM 0 HB2 ALA I 160 42.865 10.327 12.889 1.00 0.00 H new ATOM 0 HB3 ALA I 160 42.935 11.297 11.399 1.00 0.00 H new ATOM 1634 N ARG I 161 45.239 8.860 9.749 1.00 0.00 N ATOM 1635 CA ARG I 161 45.645 8.701 8.357 1.00 0.00 C ATOM 1636 C ARG I 161 44.692 7.758 7.631 1.00 0.00 C ATOM 1637 O ARG I 161 44.336 6.699 8.150 1.00 0.00 O ATOM 1638 CB ARG I 161 47.066 8.137 8.293 1.00 0.00 C ATOM 1639 CG ARG I 161 47.910 8.755 9.411 1.00 0.00 C ATOM 1640 CD ARG I 161 49.381 8.385 9.208 1.00 0.00 C ATOM 1641 NE ARG I 161 50.129 9.547 8.741 1.00 0.00 N ATOM 1642 CZ ARG I 161 50.292 9.802 7.443 1.00 0.00 C ATOM 1643 NH1 ARG I 161 49.763 9.017 6.543 1.00 0.00 N ATOM 1644 NH2 ARG I 161 50.978 10.846 7.071 1.00 0.00 N1+ ATOM 0 H ARG I 161 45.066 7.985 10.244 1.00 0.00 H new ATOM 0 HA ARG I 161 45.617 9.677 7.872 1.00 0.00 H new ATOM 0 HB2 ARG I 161 47.043 7.052 8.397 1.00 0.00 H new ATOM 0 HB3 ARG I 161 47.512 8.355 7.323 1.00 0.00 H new ATOM 0 HG2 ARG I 161 47.794 9.839 9.411 1.00 0.00 H new ATOM 0 HG3 ARG I 161 47.565 8.397 10.381 1.00 0.00 H new ATOM 0 HD2 ARG I 161 49.805 8.021 10.144 1.00 0.00 H new ATOM 0 HD3 ARG I 161 49.464 7.574 8.484 1.00 0.00 H new ATOM 0 HE ARG I 161 50.538 10.182 9.427 1.00 0.00 H new ATOM 0 HH11 ARG I 161 49.221 8.203 6.832 1.00 0.00 H new ATOM 0 HH12 ARG I 161 49.892 9.218 5.551 1.00 0.00 H new ATOM 0 HH21 ARG I 161 51.387 11.464 7.772 1.00 0.00 H new ATOM 0 HH22 ARG I 161 51.106 11.045 6.079 1.00 0.00 H new ATOM 1658 N HIS I 162 44.292 8.146 6.423 1.00 0.00 N ATOM 1659 CA HIS I 162 43.385 7.330 5.624 1.00 0.00 C ATOM 1660 C HIS I 162 44.112 6.756 4.412 1.00 0.00 C ATOM 1661 O HIS I 162 44.722 7.490 3.635 1.00 0.00 O ATOM 1662 CB HIS I 162 42.193 8.175 5.163 1.00 0.00 C ATOM 1663 CG HIS I 162 42.643 9.592 4.926 1.00 0.00 C ATOM 1664 ND1 HIS I 162 42.941 10.077 3.661 1.00 0.00 N ATOM 1665 CD2 HIS I 162 42.849 10.641 5.787 1.00 0.00 C ATOM 1666 CE1 HIS I 162 43.308 11.366 3.798 1.00 0.00 C ATOM 1667 NE2 HIS I 162 43.268 11.759 5.073 1.00 0.00 N ATOM 0 H HIS I 162 44.581 9.017 5.978 1.00 0.00 H new ATOM 0 HA HIS I 162 43.025 6.505 6.239 1.00 0.00 H new ATOM 0 HB2 HIS I 162 41.771 7.759 4.248 1.00 0.00 H new ATOM 0 HB3 HIS I 162 41.406 8.154 5.916 1.00 0.00 H new ATOM 0 HD2 HIS I 162 42.707 10.604 6.857 1.00 0.00 H new ATOM 0 HE1 HIS I 162 43.599 12.004 2.976 1.00 0.00 H new ATOM 0 HE2 HIS I 162 43.496 12.681 5.444 1.00 0.00 H new ATOM 1676 N LYS I 163 44.037 5.439 4.258 1.00 0.00 N ATOM 1677 CA LYS I 163 44.687 4.771 3.138 1.00 0.00 C ATOM 1678 C LYS I 163 44.142 5.288 1.812 1.00 0.00 C ATOM 1679 O LYS I 163 44.825 5.240 0.789 1.00 0.00 O ATOM 1680 CB LYS I 163 44.467 3.261 3.231 1.00 0.00 C ATOM 1681 CG LYS I 163 42.982 2.980 3.466 1.00 0.00 C ATOM 1682 CD LYS I 163 42.663 1.537 3.075 1.00 0.00 C ATOM 1683 CE LYS I 163 41.181 1.257 3.328 1.00 0.00 C ATOM 1684 NZ LYS I 163 40.842 -0.108 2.835 1.00 0.00 N1+ ATOM 0 H LYS I 163 43.535 4.816 4.891 1.00 0.00 H new ATOM 0 HA LYS I 163 45.755 4.985 3.184 1.00 0.00 H new ATOM 0 HB2 LYS I 163 44.800 2.776 2.313 1.00 0.00 H new ATOM 0 HB3 LYS I 163 45.061 2.845 4.045 1.00 0.00 H new ATOM 0 HG2 LYS I 163 42.732 3.147 4.514 1.00 0.00 H new ATOM 0 HG3 LYS I 163 42.374 3.669 2.879 1.00 0.00 H new ATOM 0 HD2 LYS I 163 42.901 1.372 2.024 1.00 0.00 H new ATOM 0 HD3 LYS I 163 43.278 0.848 3.653 1.00 0.00 H new ATOM 0 HE2 LYS I 163 40.962 1.336 4.393 1.00 0.00 H new ATOM 0 HE3 LYS I 163 40.567 2.001 2.820 1.00 0.00 H new ATOM 0 HZ1 LYS I 163 39.834 -0.299 3.007 1.00 0.00 H new ATOM 0 HZ2 LYS I 163 41.037 -0.167 1.815 1.00 0.00 H new ATOM 0 HZ3 LYS I 163 41.418 -0.812 3.339 1.00 0.00 H new ATOM 1698 N GLU I 164 42.912 5.788 1.837 1.00 0.00 N ATOM 1699 CA GLU I 164 42.294 6.315 0.628 1.00 0.00 C ATOM 1700 C GLU I 164 43.147 7.429 0.037 1.00 0.00 C ATOM 1701 O GLU I 164 43.339 8.477 0.656 1.00 0.00 O ATOM 1702 CB GLU I 164 40.897 6.850 0.946 1.00 0.00 C ATOM 1703 CG GLU I 164 39.841 5.842 0.485 1.00 0.00 C ATOM 1704 CD GLU I 164 40.052 4.502 1.182 1.00 0.00 C ATOM 1705 OE1 GLU I 164 40.098 4.491 2.401 1.00 0.00 O ATOM 1706 OE2 GLU I 164 40.162 3.507 0.485 1.00 0.00 O1- ATOM 0 H GLU I 164 42.329 5.839 2.672 1.00 0.00 H new ATOM 0 HA GLU I 164 42.214 5.508 -0.101 1.00 0.00 H new ATOM 0 HB2 GLU I 164 40.800 7.028 2.017 1.00 0.00 H new ATOM 0 HB3 GLU I 164 40.742 7.807 0.448 1.00 0.00 H new ATOM 0 HG2 GLU I 164 38.844 6.222 0.706 1.00 0.00 H new ATOM 0 HG3 GLU I 164 39.900 5.711 -0.596 1.00 0.00 H new ATOM 1713 N SER I 165 43.655 7.193 -1.168 1.00 0.00 N ATOM 1714 CA SER I 165 44.490 8.176 -1.849 1.00 0.00 C ATOM 1715 C SER I 165 43.714 8.846 -2.976 1.00 0.00 C ATOM 1716 O SER I 165 44.149 8.842 -4.127 1.00 0.00 O ATOM 1717 CB SER I 165 45.738 7.504 -2.420 1.00 0.00 C ATOM 1718 OG SER I 165 45.353 6.392 -3.217 1.00 0.00 O ATOM 0 H SER I 165 43.504 6.331 -1.692 1.00 0.00 H new ATOM 0 HA SER I 165 44.788 8.933 -1.123 1.00 0.00 H new ATOM 0 HB2 SER I 165 46.306 8.216 -3.019 1.00 0.00 H new ATOM 0 HB3 SER I 165 46.391 7.177 -1.611 1.00 0.00 H new ATOM 0 HG SER I 165 46.152 5.961 -3.585 1.00 0.00 H new ATOM 1724 N LEU I 166 42.565 9.422 -2.632 1.00 0.00 N ATOM 1725 CA LEU I 166 41.726 10.101 -3.617 1.00 0.00 C ATOM 1726 C LEU I 166 42.540 11.113 -4.416 1.00 0.00 C ATOM 1727 O LEU I 166 42.045 11.700 -5.377 1.00 0.00 O ATOM 1728 CB LEU I 166 40.569 10.817 -2.917 1.00 0.00 C ATOM 1729 CG LEU I 166 41.122 11.779 -1.863 1.00 0.00 C ATOM 1730 CD1 LEU I 166 40.835 13.222 -2.287 1.00 0.00 C ATOM 1731 CD2 LEU I 166 40.451 11.500 -0.514 1.00 0.00 C ATOM 0 H LEU I 166 42.194 9.433 -1.682 1.00 0.00 H new ATOM 0 HA LEU I 166 41.330 9.350 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU I 166 39.973 11.365 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU I 166 39.908 10.088 -2.448 1.00 0.00 H new ATOM 0 HG LEU I 166 42.198 11.635 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU I 166 41.229 13.907 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU I 166 41.313 13.421 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU I 166 39.759 13.366 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU I 166 40.845 12.185 0.237 1.00 0.00 H new ATOM 0 HD22 LEU I 166 39.374 11.643 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU I 166 40.656 10.473 -0.211 1.00 0.00 H new ATOM 1743 N ASP I 167 43.789 11.311 -4.015 1.00 0.00 N ATOM 1744 CA ASP I 167 44.662 12.254 -4.701 1.00 0.00 C ATOM 1745 C ASP I 167 44.845 11.842 -6.157 1.00 0.00 C ATOM 1746 O ASP I 167 44.893 12.688 -7.051 1.00 0.00 O ATOM 1747 CB ASP I 167 46.024 12.305 -4.008 1.00 0.00 C ATOM 1748 CG ASP I 167 45.900 13.018 -2.666 1.00 0.00 C ATOM 1749 OD1 ASP I 167 44.879 13.648 -2.444 1.00 0.00 O ATOM 1750 OD2 ASP I 167 46.828 12.923 -1.878 1.00 0.00 O1- ATOM 0 H ASP I 167 44.219 10.834 -3.222 1.00 0.00 H new ATOM 0 HA ASP I 167 44.202 13.242 -4.666 1.00 0.00 H new ATOM 0 HB2 ASP I 167 46.403 11.294 -3.858 1.00 0.00 H new ATOM 0 HB3 ASP I 167 46.744 12.825 -4.640 1.00 0.00 H new ATOM 1755 N LEU I 168 44.947 10.539 -6.387 1.00 0.00 N ATOM 1756 CA LEU I 168 45.127 10.025 -7.740 1.00 0.00 C ATOM 1757 C LEU I 168 43.816 9.453 -8.267 1.00 0.00 C ATOM 1758 O LEU I 168 43.332 8.428 -7.785 1.00 0.00 O ATOM 1759 CB LEU I 168 46.203 8.934 -7.729 1.00 0.00 C ATOM 1760 CG LEU I 168 47.591 9.558 -7.520 1.00 0.00 C ATOM 1761 CD1 LEU I 168 48.537 8.502 -6.953 1.00 0.00 C ATOM 1762 CD2 LEU I 168 48.169 10.035 -8.859 1.00 0.00 C ATOM 0 H LEU I 168 44.909 9.823 -5.661 1.00 0.00 H new ATOM 0 HA LEU I 168 45.439 10.840 -8.393 1.00 0.00 H new ATOM 0 HB2 LEU I 168 45.996 8.217 -6.935 1.00 0.00 H new ATOM 0 HB3 LEU I 168 46.182 8.383 -8.669 1.00 0.00 H new ATOM 0 HG LEU I 168 47.492 10.402 -6.837 1.00 0.00 H new ATOM 0 HD11 LEU I 168 49.524 8.940 -6.803 1.00 0.00 H new ATOM 0 HD12 LEU I 168 48.151 8.142 -5.999 1.00 0.00 H new ATOM 0 HD13 LEU I 168 48.613 7.669 -7.651 1.00 0.00 H new ATOM 0 HD21 LEU I 168 49.153 10.475 -8.695 1.00 0.00 H new ATOM 0 HD22 LEU I 168 48.259 9.188 -9.539 1.00 0.00 H new ATOM 0 HD23 LEU I 168 47.506 10.782 -9.296 1.00 0.00 H new ATOM 1774 N ARG I 169 43.246 10.128 -9.262 1.00 0.00 N ATOM 1775 CA ARG I 169 41.988 9.691 -9.854 1.00 0.00 C ATOM 1776 C ARG I 169 41.040 9.180 -8.774 1.00 0.00 C ATOM 1777 O ARG I 169 40.528 9.955 -7.967 1.00 0.00 O ATOM 1778 CB ARG I 169 42.242 8.585 -10.879 1.00 0.00 C ATOM 1779 CG ARG I 169 42.972 9.170 -12.090 1.00 0.00 C ATOM 1780 CD ARG I 169 43.202 8.071 -13.127 1.00 0.00 C ATOM 1781 NE ARG I 169 43.903 8.612 -14.284 1.00 0.00 N ATOM 1782 CZ ARG I 169 45.223 8.755 -14.271 1.00 0.00 C ATOM 1783 NH1 ARG I 169 45.900 8.420 -13.208 1.00 0.00 N ATOM 1784 NH2 ARG I 169 45.842 9.234 -15.315 1.00 0.00 N1+ ATOM 0 H ARG I 169 43.635 10.977 -9.673 1.00 0.00 H new ATOM 0 HA ARG I 169 41.529 10.544 -10.354 1.00 0.00 H new ATOM 0 HB2 ARG I 169 42.838 7.789 -10.431 1.00 0.00 H new ATOM 0 HB3 ARG I 169 41.297 8.139 -11.191 1.00 0.00 H new ATOM 0 HG2 ARG I 169 42.385 9.979 -12.526 1.00 0.00 H new ATOM 0 HG3 ARG I 169 43.925 9.598 -11.781 1.00 0.00 H new ATOM 0 HD2 ARG I 169 43.783 7.261 -12.687 1.00 0.00 H new ATOM 0 HD3 ARG I 169 42.247 7.647 -13.437 1.00 0.00 H new ATOM 0 HE ARG I 169 43.374 8.884 -15.113 1.00 0.00 H new ATOM 0 HH11 ARG I 169 45.415 8.050 -12.390 1.00 0.00 H new ATOM 0 HH12 ARG I 169 46.914 8.528 -13.194 1.00 0.00 H new ATOM 0 HH21 ARG I 169 45.312 9.500 -16.145 1.00 0.00 H new ATOM 0 HH22 ARG I 169 46.856 9.342 -15.301 1.00 0.00 H new ATOM 1798 N ALA I 170 40.815 7.871 -8.765 1.00 0.00 N ATOM 1799 CA ALA I 170 39.931 7.266 -7.778 1.00 0.00 C ATOM 1800 C ALA I 170 38.476 7.605 -8.088 1.00 0.00 C ATOM 1801 O ALA I 170 37.608 7.048 -7.435 1.00 0.00 O ATOM 1802 CB ALA I 170 40.288 7.769 -6.378 1.00 0.00 C ATOM 1803 OXT ALA I 170 38.251 8.415 -8.971 1.00 0.00 O ATOM 0 H ALA I 170 41.229 7.213 -9.425 1.00 0.00 H new ATOM 0 HA ALA I 170 40.058 6.184 -7.816 1.00 0.00 H new ATOM 0 HB1 ALA I 170 39.622 7.312 -5.646 1.00 0.00 H new ATOM 0 HB2 ALA I 170 41.319 7.502 -6.147 1.00 0.00 H new ATOM 0 HB3 ALA I 170 40.177 8.853 -6.342 1.00 0.00 H new TER 1809 ALA I 170 HETATM 1810 CA CA C 101 20.120 17.075 13.958 1.00 0.00 CA