USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 46 TYR OH : rot 180:sc= -0.19 USER MOD Set 1.3: A 50 GLN : amide:sc= -0.13 X(o=-0.32,f=-0.16!) USER MOD Set 2.1: A 24 GLN : amide:sc= -0.872 K(o=-0.96,f=-8.4!) USER MOD Set 2.2: A 87 GLN : amide:sc= -0.0919 X(o=-0.96,f=-1) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 16 HIS : no HD1:sc= -0.698 K(o=-0.7,f=-0.14) USER MOD Single : A 18 ASN : amide:sc= -0.0515 K(o=-0.051,f=-0.89) USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= -0.151 (180deg=-0.676) USER MOD Single : A 30 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 37 THR OG1 : rot 170:sc= -0.305 USER MOD Single : A 40 SER OG : rot 24:sc= 0.906 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 172:sc= -1.69 (180deg=-2.04) USER MOD Single : A 44 LYS NZ :NH3+ -102:sc= -0.0109 (180deg=-0.516) USER MOD Single : A 47 SER OG : rot 174:sc= -1.4 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 177:sc= 0 (180deg=-0.0124) USER MOD Single : A 56 GLN : amide:sc= 0.0223 X(o=0.022,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 74 GLN : amide:sc= 0.0289 K(o=0.029,f=-1.6) USER MOD Single : A 77 MET CE :methyl -129:sc= -0.622 (180deg=-4.03!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00345 USER MOD Single : A 88 GLN : amide:sc= -0.553 K(o=-0.55,f=-2.4) USER MOD Single : A 89 GLN : amide:sc= -0.0302 K(o=-0.03,f=-0.96) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -21.135 -3.163 3.064 1.00 0.00 N ATOM 2 CA ASN A 14 -19.966 -3.992 3.482 1.00 0.00 C ATOM 3 C ASN A 14 -18.965 -4.169 2.336 1.00 0.00 C ATOM 4 O ASN A 14 -18.398 -5.250 2.159 1.00 0.00 O ATOM 5 CB ASN A 14 -20.473 -5.363 3.952 1.00 0.00 C ATOM 6 CG ASN A 14 -21.297 -5.278 5.222 1.00 0.00 C ATOM 7 OD1 ASN A 14 -22.453 -4.859 5.196 1.00 0.00 O ATOM 8 ND2 ASN A 14 -20.704 -5.676 6.341 1.00 0.00 N ATOM 0 HA ASN A 14 -19.449 -3.482 4.295 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -21.075 -5.813 3.163 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -19.622 -6.023 4.120 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -21.209 -5.641 7.226 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -19.743 -6.017 6.316 1.00 0.00 H new ATOM 17 N ASP A 15 -18.744 -3.108 1.560 1.00 0.00 N ATOM 18 CA ASP A 15 -17.807 -3.164 0.441 1.00 0.00 C ATOM 19 C ASP A 15 -16.423 -2.678 0.867 1.00 0.00 C ATOM 20 O ASP A 15 -16.250 -1.517 1.239 1.00 0.00 O ATOM 21 CB ASP A 15 -18.329 -2.332 -0.738 1.00 0.00 C ATOM 22 CG ASP A 15 -18.494 -0.861 -0.397 1.00 0.00 C ATOM 23 OD1 ASP A 15 -19.248 -0.550 0.549 1.00 0.00 O ATOM 24 OD2 ASP A 15 -17.868 -0.022 -1.079 1.00 0.00 O ATOM 0 H ASP A 15 -19.199 -2.204 1.686 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.720 -4.202 0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.641 -2.430 -1.578 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -19.289 -2.734 -1.063 1.00 0.00 H new ATOM 29 N HIS A 16 -15.441 -3.579 0.815 1.00 0.00 N ATOM 30 CA HIS A 16 -14.072 -3.248 1.201 1.00 0.00 C ATOM 31 C HIS A 16 -13.067 -3.942 0.285 1.00 0.00 C ATOM 32 O HIS A 16 -13.305 -5.058 -0.180 1.00 0.00 O ATOM 33 CB HIS A 16 -13.822 -3.651 2.657 1.00 0.00 C ATOM 34 CG HIS A 16 -13.919 -2.513 3.628 1.00 0.00 C ATOM 35 ND1 HIS A 16 -13.726 -2.667 4.984 1.00 0.00 N ATOM 36 CD2 HIS A 16 -14.192 -1.198 3.438 1.00 0.00 C ATOM 37 CE1 HIS A 16 -13.875 -1.501 5.585 1.00 0.00 C ATOM 38 NE2 HIS A 16 -14.158 -0.592 4.670 1.00 0.00 N ATOM 0 H HIS A 16 -15.570 -4.543 0.509 1.00 0.00 H new ATOM 0 HA HIS A 16 -13.940 -2.171 1.102 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -14.542 -4.419 2.940 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.831 -4.099 2.735 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -14.398 -0.717 2.493 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -13.781 -1.321 6.646 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.324 0.398 4.849 1.00 0.00 H new ATOM 47 N ILE A 17 -11.944 -3.273 0.029 1.00 0.00 N ATOM 48 CA ILE A 17 -10.905 -3.828 -0.833 1.00 0.00 C ATOM 49 C ILE A 17 -9.851 -4.573 -0.018 1.00 0.00 C ATOM 50 O ILE A 17 -9.270 -4.026 0.922 1.00 0.00 O ATOM 51 CB ILE A 17 -10.221 -2.737 -1.693 1.00 0.00 C ATOM 52 CG1 ILE A 17 -9.545 -1.685 -0.805 1.00 0.00 C ATOM 53 CG2 ILE A 17 -11.233 -2.084 -2.626 1.00 0.00 C ATOM 54 CD1 ILE A 17 -8.965 -0.519 -1.576 1.00 0.00 C ATOM 0 H ILE A 17 -11.732 -2.349 0.405 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.400 -4.531 -1.503 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.449 -3.213 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.272 -1.308 -0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.749 -2.162 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -10.737 -1.319 -3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.660 -2.839 -3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.027 -1.625 -2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.504 0.183 -0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.213 -0.884 -2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.760 -0.016 -2.127 1.00 0.00 H new ATOM 66 N ASN A 18 -9.619 -5.831 -0.385 1.00 0.00 N ATOM 67 CA ASN A 18 -8.644 -6.672 0.304 1.00 0.00 C ATOM 68 C ASN A 18 -7.287 -6.616 -0.396 1.00 0.00 C ATOM 69 O ASN A 18 -7.001 -7.421 -1.287 1.00 0.00 O ATOM 70 CB ASN A 18 -9.143 -8.119 0.369 1.00 0.00 C ATOM 71 CG ASN A 18 -10.452 -8.252 1.126 1.00 0.00 C ATOM 72 OD1 ASN A 18 -11.476 -7.701 0.722 1.00 0.00 O ATOM 73 ND2 ASN A 18 -10.428 -8.987 2.234 1.00 0.00 N ATOM 0 H ASN A 18 -10.096 -6.292 -1.160 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.524 -6.292 1.319 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.273 -8.500 -0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.386 -8.739 0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.279 -9.110 2.783 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.559 -9.427 2.535 1.00 0.00 H new ATOM 80 N LEU A 19 -6.454 -5.660 0.010 1.00 0.00 N ATOM 81 CA LEU A 19 -5.127 -5.497 -0.580 1.00 0.00 C ATOM 82 C LEU A 19 -4.083 -6.315 0.173 1.00 0.00 C ATOM 83 O LEU A 19 -3.910 -6.156 1.384 1.00 0.00 O ATOM 84 CB LEU A 19 -4.721 -4.021 -0.583 1.00 0.00 C ATOM 85 CG LEU A 19 -5.207 -3.215 -1.788 1.00 0.00 C ATOM 86 CD1 LEU A 19 -6.676 -2.858 -1.632 1.00 0.00 C ATOM 87 CD2 LEU A 19 -4.363 -1.961 -1.960 1.00 0.00 C ATOM 0 H LEU A 19 -6.674 -4.987 0.744 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.175 -5.860 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.103 -3.554 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.634 -3.960 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.099 -3.827 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.005 -2.285 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.266 -3.771 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.812 -2.262 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.720 -1.397 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.441 -1.344 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.322 -2.242 -2.117 1.00 0.00 H new ATOM 99 N LYS A 20 -3.385 -7.185 -0.554 1.00 0.00 N ATOM 100 CA LYS A 20 -2.346 -8.025 0.035 1.00 0.00 C ATOM 101 C LYS A 20 -0.962 -7.501 -0.347 1.00 0.00 C ATOM 102 O LYS A 20 -0.426 -7.847 -1.403 1.00 0.00 O ATOM 103 CB LYS A 20 -2.514 -9.478 -0.428 1.00 0.00 C ATOM 104 CG LYS A 20 -3.244 -10.363 0.574 1.00 0.00 C ATOM 105 CD LYS A 20 -4.757 -10.251 0.429 1.00 0.00 C ATOM 106 CE LYS A 20 -5.265 -10.979 -0.811 1.00 0.00 C ATOM 107 NZ LYS A 20 -4.791 -12.392 -0.873 1.00 0.00 N ATOM 0 H LYS A 20 -3.521 -7.326 -1.555 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.442 -7.992 1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.059 -9.488 -1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.530 -9.903 -0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.941 -11.400 0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.954 -10.082 1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.238 -10.664 1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.040 -9.200 0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.355 -10.963 -0.818 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.933 -10.448 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.384 -12.928 -1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.803 -12.413 -1.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.855 -12.822 0.072 1.00 0.00 H new ATOM 121 N VAL A 21 -0.392 -6.656 0.514 1.00 0.00 N ATOM 122 CA VAL A 21 0.926 -6.073 0.264 1.00 0.00 C ATOM 123 C VAL A 21 2.041 -7.003 0.743 1.00 0.00 C ATOM 124 O VAL A 21 2.064 -7.412 1.907 1.00 0.00 O ATOM 125 CB VAL A 21 1.086 -4.699 0.957 1.00 0.00 C ATOM 126 CG1 VAL A 21 2.404 -4.044 0.564 1.00 0.00 C ATOM 127 CG2 VAL A 21 -0.085 -3.784 0.624 1.00 0.00 C ATOM 0 H VAL A 21 -0.823 -6.361 1.390 1.00 0.00 H new ATOM 0 HA VAL A 21 1.005 -5.936 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 21 1.094 -4.865 2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.494 -3.079 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.233 -4.686 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.430 -3.897 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.050 -2.824 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.131 -3.630 -0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.013 -4.242 0.965 1.00 0.00 H new ATOM 137 N ALA A 22 2.964 -7.327 -0.162 1.00 0.00 N ATOM 138 CA ALA A 22 4.086 -8.202 0.157 1.00 0.00 C ATOM 139 C ALA A 22 5.382 -7.404 0.284 1.00 0.00 C ATOM 140 O ALA A 22 5.841 -6.788 -0.681 1.00 0.00 O ATOM 141 CB ALA A 22 4.230 -9.284 -0.904 1.00 0.00 C ATOM 0 H ALA A 22 2.954 -6.993 -1.126 1.00 0.00 H new ATOM 0 HA ALA A 22 3.886 -8.677 1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.071 -9.930 -0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.317 -9.877 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.405 -8.821 -1.875 1.00 0.00 H new ATOM 147 N GLY A 23 5.964 -7.417 1.481 1.00 0.00 N ATOM 148 CA GLY A 23 7.200 -6.693 1.724 1.00 0.00 C ATOM 149 C GLY A 23 8.427 -7.469 1.285 1.00 0.00 C ATOM 150 O GLY A 23 8.435 -8.702 1.317 1.00 0.00 O ATOM 0 H GLY A 23 5.599 -7.919 2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.169 -5.740 1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.280 -6.465 2.787 1.00 0.00 H new ATOM 154 N GLN A 24 9.469 -6.742 0.879 1.00 0.00 N ATOM 155 CA GLN A 24 10.720 -7.360 0.429 1.00 0.00 C ATOM 156 C GLN A 24 11.367 -8.217 1.527 1.00 0.00 C ATOM 157 O GLN A 24 12.201 -9.075 1.233 1.00 0.00 O ATOM 158 CB GLN A 24 11.708 -6.288 -0.045 1.00 0.00 C ATOM 159 CG GLN A 24 12.189 -5.354 1.057 1.00 0.00 C ATOM 160 CD GLN A 24 11.722 -3.926 0.854 1.00 0.00 C ATOM 161 OE1 GLN A 24 12.298 -3.180 0.062 1.00 0.00 O ATOM 162 NE2 GLN A 24 10.671 -3.536 1.567 1.00 0.00 N ATOM 0 H GLN A 24 9.473 -5.722 0.852 1.00 0.00 H new ATOM 0 HA GLN A 24 10.472 -8.018 -0.404 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.572 -6.778 -0.493 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.236 -5.695 -0.828 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.829 -5.717 2.019 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.278 -5.374 1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.223 -4.186 2.212 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.312 -2.586 1.469 1.00 0.00 H new ATOM 171 N ASP A 25 10.987 -7.983 2.787 1.00 0.00 N ATOM 172 CA ASP A 25 11.543 -8.739 3.910 1.00 0.00 C ATOM 173 C ASP A 25 10.715 -9.998 4.211 1.00 0.00 C ATOM 174 O ASP A 25 10.624 -10.426 5.364 1.00 0.00 O ATOM 175 CB ASP A 25 11.616 -7.852 5.159 1.00 0.00 C ATOM 176 CG ASP A 25 12.374 -6.559 4.919 1.00 0.00 C ATOM 177 OD1 ASP A 25 11.742 -5.573 4.482 1.00 0.00 O ATOM 178 OD2 ASP A 25 13.597 -6.532 5.168 1.00 0.00 O ATOM 0 H ASP A 25 10.299 -7.278 3.053 1.00 0.00 H new ATOM 0 HA ASP A 25 12.547 -9.057 3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.605 -7.618 5.493 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.098 -8.406 5.965 1.00 0.00 H new ATOM 183 N GLY A 26 10.116 -10.589 3.171 1.00 0.00 N ATOM 184 CA GLY A 26 9.311 -11.790 3.351 1.00 0.00 C ATOM 185 C GLY A 26 8.158 -11.588 4.322 1.00 0.00 C ATOM 186 O GLY A 26 7.875 -12.460 5.146 1.00 0.00 O ATOM 0 H GLY A 26 10.175 -10.256 2.209 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.916 -12.105 2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.948 -12.597 3.713 1.00 0.00 H new ATOM 190 N SER A 27 7.497 -10.433 4.229 1.00 0.00 N ATOM 191 CA SER A 27 6.373 -10.113 5.108 1.00 0.00 C ATOM 192 C SER A 27 5.075 -9.979 4.314 1.00 0.00 C ATOM 193 O SER A 27 5.010 -9.226 3.339 1.00 0.00 O ATOM 194 CB SER A 27 6.652 -8.815 5.876 1.00 0.00 C ATOM 195 OG SER A 27 5.824 -8.713 7.023 1.00 0.00 O ATOM 0 H SER A 27 7.722 -9.703 3.553 1.00 0.00 H new ATOM 0 HA SER A 27 6.258 -10.932 5.818 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.700 -8.784 6.176 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.482 -7.959 5.223 1.00 0.00 H new ATOM 0 HG SER A 27 6.022 -7.878 7.496 1.00 0.00 H new ATOM 201 N VAL A 28 4.042 -10.710 4.740 1.00 0.00 N ATOM 202 CA VAL A 28 2.739 -10.671 4.072 1.00 0.00 C ATOM 203 C VAL A 28 1.656 -10.134 5.008 1.00 0.00 C ATOM 204 O VAL A 28 1.340 -10.752 6.028 1.00 0.00 O ATOM 205 CB VAL A 28 2.317 -12.065 3.550 1.00 0.00 C ATOM 206 CG1 VAL A 28 3.155 -12.461 2.344 1.00 0.00 C ATOM 207 CG2 VAL A 28 2.419 -13.120 4.647 1.00 0.00 C ATOM 0 H VAL A 28 4.083 -11.336 5.544 1.00 0.00 H new ATOM 0 HA VAL A 28 2.846 -9.999 3.220 1.00 0.00 H new ATOM 0 HB VAL A 28 1.273 -12.005 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.843 -13.444 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.016 -11.729 1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.207 -12.494 2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.116 -14.089 4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.448 -13.179 5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.766 -12.847 5.476 1.00 0.00 H new ATOM 217 N VAL A 29 1.097 -8.976 4.656 1.00 0.00 N ATOM 218 CA VAL A 29 0.052 -8.347 5.463 1.00 0.00 C ATOM 219 C VAL A 29 -1.075 -7.803 4.584 1.00 0.00 C ATOM 220 O VAL A 29 -0.823 -7.147 3.571 1.00 0.00 O ATOM 221 CB VAL A 29 0.617 -7.191 6.321 1.00 0.00 C ATOM 222 CG1 VAL A 29 -0.429 -6.683 7.306 1.00 0.00 C ATOM 223 CG2 VAL A 29 1.878 -7.626 7.057 1.00 0.00 C ATOM 0 H VAL A 29 1.351 -8.455 3.817 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.343 -9.121 6.121 1.00 0.00 H new ATOM 0 HB VAL A 29 0.879 -6.373 5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.007 -5.870 7.898 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.299 -6.320 6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.730 -7.495 7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.256 -6.796 7.653 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.646 -8.466 7.711 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.636 -7.928 6.334 1.00 0.00 H new ATOM 233 N GLN A 30 -2.318 -8.077 4.986 1.00 0.00 N ATOM 234 CA GLN A 30 -3.492 -7.612 4.245 1.00 0.00 C ATOM 235 C GLN A 30 -4.177 -6.450 4.968 1.00 0.00 C ATOM 236 O GLN A 30 -4.063 -6.314 6.188 1.00 0.00 O ATOM 237 CB GLN A 30 -4.489 -8.760 4.044 1.00 0.00 C ATOM 238 CG GLN A 30 -4.905 -9.450 5.337 1.00 0.00 C ATOM 239 CD GLN A 30 -4.317 -10.845 5.482 1.00 0.00 C ATOM 240 OE1 GLN A 30 -3.409 -11.232 4.744 1.00 0.00 O ATOM 241 NE2 GLN A 30 -4.832 -11.609 6.440 1.00 0.00 N ATOM 0 H GLN A 30 -2.537 -8.619 5.822 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.152 -7.259 3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.379 -8.373 3.548 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.047 -9.499 3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.592 -8.840 6.185 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.992 -9.514 5.374 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.583 -11.251 7.030 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.476 -12.554 6.586 1.00 0.00 H new ATOM 250 N PHE A 31 -4.890 -5.619 4.205 1.00 0.00 N ATOM 251 CA PHE A 31 -5.599 -4.469 4.767 1.00 0.00 C ATOM 252 C PHE A 31 -7.008 -4.353 4.183 1.00 0.00 C ATOM 253 O PHE A 31 -7.235 -4.681 3.016 1.00 0.00 O ATOM 254 CB PHE A 31 -4.815 -3.181 4.498 1.00 0.00 C ATOM 255 CG PHE A 31 -3.937 -2.758 5.644 1.00 0.00 C ATOM 256 CD1 PHE A 31 -4.491 -2.256 6.811 1.00 0.00 C ATOM 257 CD2 PHE A 31 -2.558 -2.861 5.552 1.00 0.00 C ATOM 258 CE1 PHE A 31 -3.686 -1.865 7.865 1.00 0.00 C ATOM 259 CE2 PHE A 31 -1.748 -2.472 6.603 1.00 0.00 C ATOM 260 CZ PHE A 31 -2.313 -1.973 7.760 1.00 0.00 C ATOM 0 H PHE A 31 -4.991 -5.722 3.195 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.685 -4.619 5.843 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.197 -3.320 3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.518 -2.378 4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.564 -2.169 6.898 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.111 -3.250 4.649 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.130 -1.476 8.769 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.675 -2.558 6.519 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.682 -1.668 8.582 1.00 0.00 H new ATOM 270 N LYS A 32 -7.949 -3.884 5.006 1.00 0.00 N ATOM 271 CA LYS A 32 -9.339 -3.723 4.580 1.00 0.00 C ATOM 272 C LYS A 32 -9.778 -2.261 4.671 1.00 0.00 C ATOM 273 O LYS A 32 -9.904 -1.710 5.768 1.00 0.00 O ATOM 274 CB LYS A 32 -10.259 -4.595 5.439 1.00 0.00 C ATOM 275 CG LYS A 32 -10.330 -6.042 4.979 1.00 0.00 C ATOM 276 CD LYS A 32 -10.929 -6.942 6.049 1.00 0.00 C ATOM 277 CE LYS A 32 -12.432 -7.104 5.867 1.00 0.00 C ATOM 278 NZ LYS A 32 -13.152 -7.177 7.170 1.00 0.00 N ATOM 0 H LYS A 32 -7.772 -3.609 5.972 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.410 -4.039 3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.912 -4.567 6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.263 -4.170 5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.930 -6.107 4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.330 -6.393 4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.450 -7.920 6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.724 -6.523 7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.818 -6.266 5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.631 -8.009 5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.172 -7.287 6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.803 -7.992 7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.984 -6.303 7.709 1.00 0.00 H new ATOM 292 N ILE A 33 -10.014 -1.643 3.513 1.00 0.00 N ATOM 293 CA ILE A 33 -10.442 -0.244 3.453 1.00 0.00 C ATOM 294 C ILE A 33 -11.400 -0.008 2.283 1.00 0.00 C ATOM 295 O ILE A 33 -11.697 -0.927 1.518 1.00 0.00 O ATOM 296 CB ILE A 33 -9.236 0.716 3.319 1.00 0.00 C ATOM 297 CG1 ILE A 33 -8.376 0.343 2.106 1.00 0.00 C ATOM 298 CG2 ILE A 33 -8.401 0.704 4.592 1.00 0.00 C ATOM 299 CD1 ILE A 33 -7.809 1.540 1.371 1.00 0.00 C ATOM 0 H ILE A 33 -9.916 -2.090 2.602 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.958 -0.035 4.390 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.618 1.725 3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.554 -0.292 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.977 -0.247 1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.557 1.385 4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.016 1.024 5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.031 -0.305 4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.212 1.198 0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.625 2.165 1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.181 2.119 2.048 1.00 0.00 H new ATOM 311 N LYS A 34 -11.873 1.232 2.147 1.00 0.00 N ATOM 312 CA LYS A 34 -12.789 1.591 1.064 1.00 0.00 C ATOM 313 C LYS A 34 -12.013 1.996 -0.189 1.00 0.00 C ATOM 314 O LYS A 34 -10.837 2.354 -0.112 1.00 0.00 O ATOM 315 CB LYS A 34 -13.719 2.733 1.498 1.00 0.00 C ATOM 316 CG LYS A 34 -13.004 4.055 1.754 1.00 0.00 C ATOM 317 CD LYS A 34 -12.926 4.371 3.240 1.00 0.00 C ATOM 318 CE LYS A 34 -12.598 5.837 3.490 1.00 0.00 C ATOM 319 NZ LYS A 34 -13.565 6.473 4.429 1.00 0.00 N ATOM 0 H LYS A 34 -11.637 2.003 2.772 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.395 0.715 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.475 2.884 0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.244 2.435 2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.998 4.012 1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.528 4.859 1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.876 4.125 3.714 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.166 3.744 3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.590 5.919 3.897 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.604 6.377 2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.306 7.470 4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.524 6.418 4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.541 5.975 5.342 1.00 0.00 H new ATOM 333 N ARG A 35 -12.682 1.946 -1.342 1.00 0.00 N ATOM 334 CA ARG A 35 -12.054 2.316 -2.613 1.00 0.00 C ATOM 335 C ARG A 35 -12.399 3.758 -3.007 1.00 0.00 C ATOM 336 O ARG A 35 -12.494 4.082 -4.194 1.00 0.00 O ATOM 337 CB ARG A 35 -12.476 1.347 -3.727 1.00 0.00 C ATOM 338 CG ARG A 35 -13.983 1.193 -3.880 1.00 0.00 C ATOM 339 CD ARG A 35 -14.432 1.482 -5.306 1.00 0.00 C ATOM 340 NE ARG A 35 -15.245 0.398 -5.861 1.00 0.00 N ATOM 341 CZ ARG A 35 -16.063 0.536 -6.909 1.00 0.00 C ATOM 342 NH1 ARG A 35 -16.170 1.706 -7.535 1.00 0.00 N ATOM 343 NH2 ARG A 35 -16.771 -0.505 -7.337 1.00 0.00 N ATOM 0 H ARG A 35 -13.656 1.654 -1.423 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.974 2.250 -2.479 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.059 1.694 -4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.040 0.368 -3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.276 0.180 -3.603 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -14.491 1.871 -3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -15.005 2.409 -5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.556 1.636 -5.936 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.183 -0.520 -5.420 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.625 2.507 -7.216 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.797 1.802 -8.334 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.689 -1.406 -6.866 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.396 -0.403 -8.137 1.00 0.00 H new ATOM 357 N HIS A 36 -12.581 4.622 -2.005 1.00 0.00 N ATOM 358 CA HIS A 36 -12.909 6.025 -2.244 1.00 0.00 C ATOM 359 C HIS A 36 -11.957 6.954 -1.478 1.00 0.00 C ATOM 360 O HIS A 36 -12.344 8.049 -1.062 1.00 0.00 O ATOM 361 CB HIS A 36 -14.363 6.299 -1.833 1.00 0.00 C ATOM 362 CG HIS A 36 -15.301 6.461 -2.993 1.00 0.00 C ATOM 363 ND1 HIS A 36 -16.380 7.321 -2.975 1.00 0.00 N ATOM 364 CD2 HIS A 36 -15.320 5.865 -4.211 1.00 0.00 C ATOM 365 CE1 HIS A 36 -17.022 7.246 -4.128 1.00 0.00 C ATOM 366 NE2 HIS A 36 -16.399 6.371 -4.896 1.00 0.00 N ATOM 0 H HIS A 36 -12.506 4.371 -1.019 1.00 0.00 H new ATOM 0 HA HIS A 36 -12.792 6.228 -3.309 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.714 5.479 -1.206 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -14.394 7.202 -1.224 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -14.618 5.130 -4.575 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -17.906 7.805 -4.396 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -16.674 6.113 -5.844 1.00 0.00 H new ATOM 375 N THR A 37 -10.709 6.513 -1.296 1.00 0.00 N ATOM 376 CA THR A 37 -9.704 7.305 -0.582 1.00 0.00 C ATOM 377 C THR A 37 -8.304 7.039 -1.140 1.00 0.00 C ATOM 378 O THR A 37 -8.065 6.000 -1.759 1.00 0.00 O ATOM 379 CB THR A 37 -9.734 6.995 0.924 1.00 0.00 C ATOM 380 OG1 THR A 37 -10.374 5.755 1.188 1.00 0.00 O ATOM 381 CG2 THR A 37 -10.442 8.061 1.733 1.00 0.00 C ATOM 0 H THR A 37 -10.371 5.612 -1.633 1.00 0.00 H new ATOM 0 HA THR A 37 -9.945 8.358 -0.728 1.00 0.00 H new ATOM 0 HB THR A 37 -8.687 6.957 1.226 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.236 5.509 2.127 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.430 7.785 2.788 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.933 9.016 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.474 8.151 1.393 1.00 0.00 H new ATOM 389 N PRO A 38 -7.358 7.979 -0.931 1.00 0.00 N ATOM 390 CA PRO A 38 -5.979 7.839 -1.422 1.00 0.00 C ATOM 391 C PRO A 38 -5.190 6.772 -0.664 1.00 0.00 C ATOM 392 O PRO A 38 -5.582 6.356 0.429 1.00 0.00 O ATOM 393 CB PRO A 38 -5.375 9.227 -1.183 1.00 0.00 C ATOM 394 CG PRO A 38 -6.160 9.789 -0.050 1.00 0.00 C ATOM 395 CD PRO A 38 -7.556 9.252 -0.208 1.00 0.00 C ATOM 0 HA PRO A 38 -5.950 7.519 -2.464 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.315 9.161 -0.937 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.457 9.853 -2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.733 9.490 0.907 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.156 10.879 -0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.037 9.094 0.757 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.189 9.939 -0.771 1.00 0.00 H new ATOM 403 N LEU A 39 -4.072 6.338 -1.250 1.00 0.00 N ATOM 404 CA LEU A 39 -3.221 5.320 -0.629 1.00 0.00 C ATOM 405 C LEU A 39 -2.572 5.830 0.662 1.00 0.00 C ATOM 406 O LEU A 39 -2.027 5.043 1.432 1.00 0.00 O ATOM 407 CB LEU A 39 -2.138 4.857 -1.607 1.00 0.00 C ATOM 408 CG LEU A 39 -2.528 3.664 -2.480 1.00 0.00 C ATOM 409 CD1 LEU A 39 -1.566 3.523 -3.650 1.00 0.00 C ATOM 410 CD2 LEU A 39 -2.558 2.387 -1.651 1.00 0.00 C ATOM 0 H LEU A 39 -3.735 6.675 -2.152 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.861 4.476 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.873 5.692 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.244 4.597 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.527 3.838 -2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.859 2.669 -4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.594 4.429 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.555 3.370 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.837 1.547 -2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.571 2.207 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.287 2.492 -0.847 1.00 0.00 H new ATOM 422 N SER A 40 -2.635 7.144 0.894 1.00 0.00 N ATOM 423 CA SER A 40 -2.055 7.748 2.093 1.00 0.00 C ATOM 424 C SER A 40 -2.529 7.031 3.361 1.00 0.00 C ATOM 425 O SER A 40 -1.781 6.916 4.330 1.00 0.00 O ATOM 426 CB SER A 40 -2.421 9.232 2.166 1.00 0.00 C ATOM 427 OG SER A 40 -1.784 9.970 1.134 1.00 0.00 O ATOM 0 H SER A 40 -3.083 7.810 0.265 1.00 0.00 H new ATOM 0 HA SER A 40 -0.972 7.646 2.029 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.502 9.347 2.085 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.130 9.634 3.137 1.00 0.00 H new ATOM 0 HG SER A 40 -1.571 9.372 0.387 1.00 0.00 H new ATOM 433 N LYS A 41 -3.773 6.546 3.343 1.00 0.00 N ATOM 434 CA LYS A 41 -4.339 5.835 4.490 1.00 0.00 C ATOM 435 C LYS A 41 -3.716 4.445 4.634 1.00 0.00 C ATOM 436 O LYS A 41 -3.161 4.114 5.682 1.00 0.00 O ATOM 437 CB LYS A 41 -5.863 5.720 4.345 1.00 0.00 C ATOM 438 CG LYS A 41 -6.644 6.573 5.338 1.00 0.00 C ATOM 439 CD LYS A 41 -6.237 8.042 5.276 1.00 0.00 C ATOM 440 CE LYS A 41 -6.518 8.651 3.908 1.00 0.00 C ATOM 441 NZ LYS A 41 -6.597 10.139 3.964 1.00 0.00 N ATOM 0 H LYS A 41 -4.406 6.633 2.548 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.111 6.406 5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.145 6.009 3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.152 4.677 4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.711 6.484 5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.482 6.194 6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.777 8.601 6.040 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.175 8.135 5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.733 8.356 3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.455 8.253 3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.789 10.512 3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.363 10.422 4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.694 10.522 4.310 1.00 0.00 H new ATOM 455 N LEU A 42 -3.808 3.641 3.574 1.00 0.00 N ATOM 456 CA LEU A 42 -3.250 2.286 3.581 1.00 0.00 C ATOM 457 C LEU A 42 -1.734 2.316 3.782 1.00 0.00 C ATOM 458 O LEU A 42 -1.196 1.563 4.595 1.00 0.00 O ATOM 459 CB LEU A 42 -3.591 1.559 2.274 1.00 0.00 C ATOM 460 CG LEU A 42 -3.226 0.069 2.241 1.00 0.00 C ATOM 461 CD1 LEU A 42 -4.474 -0.793 2.374 1.00 0.00 C ATOM 462 CD2 LEU A 42 -2.475 -0.273 0.961 1.00 0.00 C ATOM 0 H LEU A 42 -4.263 3.903 2.700 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.696 1.745 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.661 1.659 2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.078 2.061 1.453 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.573 -0.140 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.193 -1.846 2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.969 -0.572 3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.154 -0.579 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.226 -1.334 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.102 -0.045 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.559 0.315 0.909 1.00 0.00 H new ATOM 474 N MET A 43 -1.054 3.189 3.038 1.00 0.00 N ATOM 475 CA MET A 43 0.400 3.316 3.135 1.00 0.00 C ATOM 476 C MET A 43 0.827 3.681 4.555 1.00 0.00 C ATOM 477 O MET A 43 1.725 3.053 5.118 1.00 0.00 O ATOM 478 CB MET A 43 0.921 4.364 2.142 1.00 0.00 C ATOM 479 CG MET A 43 2.191 3.941 1.419 1.00 0.00 C ATOM 480 SD MET A 43 3.565 5.075 1.697 1.00 0.00 S ATOM 481 CE MET A 43 3.623 5.103 3.486 1.00 0.00 C ATOM 0 H MET A 43 -1.487 3.818 2.362 1.00 0.00 H new ATOM 0 HA MET A 43 0.835 2.348 2.884 1.00 0.00 H new ATOM 0 HB2 MET A 43 0.145 4.571 1.405 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.110 5.295 2.676 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.477 2.943 1.751 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.990 3.876 0.350 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.509 5.647 3.813 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.731 5.597 3.871 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.664 4.082 3.865 1.00 0.00 H new ATOM 491 N LYS A 44 0.179 4.693 5.134 1.00 0.00 N ATOM 492 CA LYS A 44 0.500 5.128 6.493 1.00 0.00 C ATOM 493 C LYS A 44 0.246 4.007 7.498 1.00 0.00 C ATOM 494 O LYS A 44 1.137 3.640 8.262 1.00 0.00 O ATOM 495 CB LYS A 44 -0.319 6.364 6.876 1.00 0.00 C ATOM 496 CG LYS A 44 0.354 7.679 6.510 1.00 0.00 C ATOM 497 CD LYS A 44 -0.362 8.870 7.130 1.00 0.00 C ATOM 498 CE LYS A 44 -0.108 8.962 8.630 1.00 0.00 C ATOM 499 NZ LYS A 44 -1.261 8.456 9.429 1.00 0.00 N ATOM 0 H LYS A 44 -0.567 5.224 4.685 1.00 0.00 H new ATOM 0 HA LYS A 44 1.559 5.386 6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.290 6.313 6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.505 6.348 7.950 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.391 7.663 6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.372 7.789 5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.027 9.788 6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.433 8.786 6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.785 8.390 8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.092 9.999 8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.808 9.260 9.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.872 7.870 8.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.909 7.884 10.223 1.00 0.00 H new ATOM 513 N ALA A 45 -0.973 3.464 7.486 1.00 0.00 N ATOM 514 CA ALA A 45 -1.344 2.378 8.395 1.00 0.00 C ATOM 515 C ALA A 45 -0.406 1.178 8.246 1.00 0.00 C ATOM 516 O ALA A 45 -0.106 0.493 9.223 1.00 0.00 O ATOM 517 CB ALA A 45 -2.787 1.956 8.155 1.00 0.00 C ATOM 0 H ALA A 45 -1.720 3.759 6.857 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.249 2.750 9.415 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.048 1.148 8.838 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.448 2.805 8.328 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.899 1.612 7.127 1.00 0.00 H new ATOM 523 N TYR A 46 0.054 0.931 7.019 1.00 0.00 N ATOM 524 CA TYR A 46 0.960 -0.181 6.744 1.00 0.00 C ATOM 525 C TYR A 46 2.372 0.126 7.246 1.00 0.00 C ATOM 526 O TYR A 46 2.941 -0.642 8.019 1.00 0.00 O ATOM 527 CB TYR A 46 0.987 -0.479 5.241 1.00 0.00 C ATOM 528 CG TYR A 46 1.810 -1.693 4.861 1.00 0.00 C ATOM 529 CD1 TYR A 46 3.191 -1.608 4.722 1.00 0.00 C ATOM 530 CD2 TYR A 46 1.204 -2.923 4.632 1.00 0.00 C ATOM 531 CE1 TYR A 46 3.942 -2.713 4.366 1.00 0.00 C ATOM 532 CE2 TYR A 46 1.948 -4.031 4.274 1.00 0.00 C ATOM 533 CZ TYR A 46 3.316 -3.921 4.142 1.00 0.00 C ATOM 534 OH TYR A 46 4.059 -5.023 3.782 1.00 0.00 O ATOM 0 H TYR A 46 -0.187 1.488 6.199 1.00 0.00 H new ATOM 0 HA TYR A 46 0.593 -1.059 7.275 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.036 -0.624 4.893 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.382 0.391 4.717 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.685 -0.663 4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.133 -3.014 4.736 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.014 -2.630 4.264 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.460 -4.979 4.098 1.00 0.00 H new ATOM 0 HH TYR A 46 3.465 -5.793 3.663 1.00 0.00 H new ATOM 544 N SER A 47 2.929 1.255 6.800 1.00 0.00 N ATOM 545 CA SER A 47 4.277 1.667 7.204 1.00 0.00 C ATOM 546 C SER A 47 4.372 1.847 8.721 1.00 0.00 C ATOM 547 O SER A 47 5.364 1.454 9.340 1.00 0.00 O ATOM 548 CB SER A 47 4.667 2.972 6.496 1.00 0.00 C ATOM 549 OG SER A 47 5.949 3.422 6.907 1.00 0.00 O ATOM 0 H SER A 47 2.468 1.901 6.159 1.00 0.00 H new ATOM 0 HA SER A 47 4.970 0.878 6.912 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.663 2.817 5.417 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.924 3.740 6.711 1.00 0.00 H new ATOM 0 HG SER A 47 6.211 4.198 6.369 1.00 0.00 H new ATOM 555 N GLU A 48 3.334 2.443 9.308 1.00 0.00 N ATOM 556 CA GLU A 48 3.288 2.681 10.750 1.00 0.00 C ATOM 557 C GLU A 48 3.162 1.368 11.527 1.00 0.00 C ATOM 558 O GLU A 48 3.742 1.218 12.604 1.00 0.00 O ATOM 559 CB GLU A 48 2.118 3.607 11.094 1.00 0.00 C ATOM 560 CG GLU A 48 2.353 4.458 12.334 1.00 0.00 C ATOM 561 CD GLU A 48 1.315 5.554 12.511 1.00 0.00 C ATOM 562 OE1 GLU A 48 0.808 6.073 11.492 1.00 0.00 O ATOM 563 OE2 GLU A 48 1.011 5.895 13.674 1.00 0.00 O ATOM 0 H GLU A 48 2.510 2.771 8.804 1.00 0.00 H new ATOM 0 HA GLU A 48 4.224 3.158 11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.924 4.263 10.246 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.222 3.005 11.242 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.348 3.815 13.214 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.343 4.910 12.275 1.00 0.00 H new ATOM 570 N ARG A 49 2.398 0.425 10.977 1.00 0.00 N ATOM 571 CA ARG A 49 2.195 -0.872 11.618 1.00 0.00 C ATOM 572 C ARG A 49 3.404 -1.790 11.423 1.00 0.00 C ATOM 573 O ARG A 49 3.791 -2.515 12.340 1.00 0.00 O ATOM 574 CB ARG A 49 0.934 -1.540 11.063 1.00 0.00 C ATOM 575 CG ARG A 49 0.486 -2.759 11.853 1.00 0.00 C ATOM 576 CD ARG A 49 -0.859 -2.526 12.525 1.00 0.00 C ATOM 577 NE ARG A 49 -0.735 -1.723 13.745 1.00 0.00 N ATOM 578 CZ ARG A 49 -1.757 -1.104 14.343 1.00 0.00 C ATOM 579 NH1 ARG A 49 -2.988 -1.198 13.848 1.00 0.00 N ATOM 580 NH2 ARG A 49 -1.547 -0.390 15.444 1.00 0.00 N ATOM 0 H ARG A 49 1.910 0.536 10.088 1.00 0.00 H new ATOM 0 HA ARG A 49 2.074 -0.701 12.688 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.124 -0.810 11.049 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.116 -1.835 10.030 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.417 -3.620 11.188 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.234 -2.999 12.608 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.530 -2.024 11.828 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.313 -3.486 12.768 1.00 0.00 H new ATOM 0 HE ARG A 49 0.190 -1.631 14.164 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.158 -1.746 13.005 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.762 -0.722 14.312 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.606 -0.315 15.832 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.326 0.083 15.901 1.00 0.00 H new ATOM 594 N GLN A 50 3.993 -1.760 10.225 1.00 0.00 N ATOM 595 CA GLN A 50 5.152 -2.597 9.914 1.00 0.00 C ATOM 596 C GLN A 50 6.378 -2.174 10.725 1.00 0.00 C ATOM 597 O GLN A 50 6.872 -2.938 11.555 1.00 0.00 O ATOM 598 CB GLN A 50 5.469 -2.538 8.415 1.00 0.00 C ATOM 599 CG GLN A 50 6.066 -3.827 7.868 1.00 0.00 C ATOM 600 CD GLN A 50 5.024 -4.740 7.246 1.00 0.00 C ATOM 601 OE1 GLN A 50 3.871 -4.771 7.677 1.00 0.00 O ATOM 602 NE2 GLN A 50 5.425 -5.494 6.227 1.00 0.00 N ATOM 0 H GLN A 50 3.686 -1.165 9.456 1.00 0.00 H new ATOM 0 HA GLN A 50 4.902 -3.623 10.186 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.555 -2.310 7.867 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.164 -1.719 8.231 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.822 -3.584 7.121 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.573 -4.358 8.674 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.390 -5.438 5.900 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.768 -6.128 5.772 1.00 0.00 H new ATOM 611 N GLY A 51 6.869 -0.958 10.476 1.00 0.00 N ATOM 612 CA GLY A 51 8.035 -0.465 11.188 1.00 0.00 C ATOM 613 C GLY A 51 8.956 0.333 10.288 1.00 0.00 C ATOM 614 O GLY A 51 10.171 0.125 10.289 1.00 0.00 O ATOM 0 H GLY A 51 6.478 -0.308 9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.713 0.159 12.022 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.583 -1.306 11.612 1.00 0.00 H new ATOM 618 N LEU A 52 8.371 1.247 9.517 1.00 0.00 N ATOM 619 CA LEU A 52 9.131 2.085 8.601 1.00 0.00 C ATOM 620 C LEU A 52 8.902 3.562 8.921 1.00 0.00 C ATOM 621 O LEU A 52 8.451 3.905 10.017 1.00 0.00 O ATOM 622 CB LEU A 52 8.734 1.783 7.148 1.00 0.00 C ATOM 623 CG LEU A 52 8.581 0.299 6.804 1.00 0.00 C ATOM 624 CD1 LEU A 52 7.558 0.111 5.694 1.00 0.00 C ATOM 625 CD2 LEU A 52 9.923 -0.298 6.403 1.00 0.00 C ATOM 0 H LEU A 52 7.367 1.424 9.511 1.00 0.00 H new ATOM 0 HA LEU A 52 10.191 1.864 8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.791 2.287 6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.484 2.216 6.487 1.00 0.00 H new ATOM 0 HG LEU A 52 8.224 -0.225 7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.463 -0.950 5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.593 0.500 6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.884 0.648 4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.794 -1.353 6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.309 0.229 5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.627 -0.198 7.229 1.00 0.00 H new ATOM 637 N SER A 53 9.209 4.429 7.961 1.00 0.00 N ATOM 638 CA SER A 53 9.034 5.869 8.139 1.00 0.00 C ATOM 639 C SER A 53 8.136 6.448 7.048 1.00 0.00 C ATOM 640 O SER A 53 7.864 5.792 6.042 1.00 0.00 O ATOM 641 CB SER A 53 10.392 6.576 8.125 1.00 0.00 C ATOM 642 OG SER A 53 10.886 6.755 9.442 1.00 0.00 O ATOM 0 H SER A 53 9.581 4.160 7.050 1.00 0.00 H new ATOM 0 HA SER A 53 8.556 6.034 9.105 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.104 5.992 7.542 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.297 7.544 7.634 1.00 0.00 H new ATOM 0 HG SER A 53 11.755 7.207 9.407 1.00 0.00 H new ATOM 648 N MET A 54 7.685 7.684 7.251 1.00 0.00 N ATOM 649 CA MET A 54 6.822 8.353 6.280 1.00 0.00 C ATOM 650 C MET A 54 7.632 9.255 5.344 1.00 0.00 C ATOM 651 O MET A 54 7.099 10.213 4.779 1.00 0.00 O ATOM 652 CB MET A 54 5.748 9.175 6.999 1.00 0.00 C ATOM 653 CG MET A 54 4.764 8.329 7.791 1.00 0.00 C ATOM 654 SD MET A 54 3.922 9.270 9.080 1.00 0.00 S ATOM 655 CE MET A 54 2.993 10.443 8.095 1.00 0.00 C ATOM 0 H MET A 54 7.902 8.242 8.077 1.00 0.00 H new ATOM 0 HA MET A 54 6.340 7.583 5.677 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.233 9.881 7.674 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.199 9.763 6.263 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.023 7.907 7.111 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.294 7.491 8.245 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.379 11.061 8.749 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.683 11.077 7.538 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.352 9.905 7.397 1.00 0.00 H new ATOM 665 N ARG A 55 8.920 8.944 5.181 1.00 0.00 N ATOM 666 CA ARG A 55 9.797 9.725 4.311 1.00 0.00 C ATOM 667 C ARG A 55 10.692 8.818 3.456 1.00 0.00 C ATOM 668 O ARG A 55 11.644 9.292 2.831 1.00 0.00 O ATOM 669 CB ARG A 55 10.663 10.679 5.144 1.00 0.00 C ATOM 670 CG ARG A 55 9.892 11.436 6.218 1.00 0.00 C ATOM 671 CD ARG A 55 10.828 12.103 7.213 1.00 0.00 C ATOM 672 NE ARG A 55 10.166 13.184 7.944 1.00 0.00 N ATOM 673 CZ ARG A 55 9.333 12.993 8.972 1.00 0.00 C ATOM 674 NH1 ARG A 55 9.054 11.761 9.397 1.00 0.00 N ATOM 675 NH2 ARG A 55 8.774 14.039 9.574 1.00 0.00 N ATOM 0 H ARG A 55 9.377 8.157 5.641 1.00 0.00 H new ATOM 0 HA ARG A 55 9.165 10.307 3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.461 10.108 5.618 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.138 11.398 4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.260 12.191 5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.230 10.748 6.745 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.197 11.359 7.920 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.696 12.499 6.686 1.00 0.00 H new ATOM 0 HE ARG A 55 10.352 14.143 7.651 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.477 10.955 8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.417 11.624 10.182 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.981 14.984 9.251 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.138 13.896 10.359 1.00 0.00 H new ATOM 689 N GLN A 56 10.380 7.517 3.415 1.00 0.00 N ATOM 690 CA GLN A 56 11.149 6.569 2.622 1.00 0.00 C ATOM 691 C GLN A 56 10.335 5.303 2.373 1.00 0.00 C ATOM 692 O GLN A 56 10.545 4.273 3.018 1.00 0.00 O ATOM 693 CB GLN A 56 12.468 6.225 3.329 1.00 0.00 C ATOM 694 CG GLN A 56 12.308 5.823 4.789 1.00 0.00 C ATOM 695 CD GLN A 56 13.320 4.776 5.215 1.00 0.00 C ATOM 696 OE1 GLN A 56 14.286 5.080 5.912 1.00 0.00 O ATOM 697 NE2 GLN A 56 13.103 3.535 4.792 1.00 0.00 N ATOM 0 H GLN A 56 9.599 7.103 3.924 1.00 0.00 H new ATOM 0 HA GLN A 56 11.381 7.028 1.661 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.954 5.411 2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 56 13.133 7.087 3.272 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.415 6.705 5.420 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.301 5.437 4.949 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.288 3.328 4.215 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.752 2.789 5.044 1.00 0.00 H new ATOM 706 N ILE A 57 9.410 5.394 1.426 1.00 0.00 N ATOM 707 CA ILE A 57 8.549 4.267 1.069 1.00 0.00 C ATOM 708 C ILE A 57 8.305 4.219 -0.440 1.00 0.00 C ATOM 709 O ILE A 57 8.416 5.235 -1.130 1.00 0.00 O ATOM 710 CB ILE A 57 7.184 4.340 1.795 1.00 0.00 C ATOM 711 CG1 ILE A 57 7.370 4.667 3.283 1.00 0.00 C ATOM 712 CG2 ILE A 57 6.413 3.036 1.631 1.00 0.00 C ATOM 713 CD1 ILE A 57 7.990 3.541 4.086 1.00 0.00 C ATOM 0 H ILE A 57 9.234 6.242 0.886 1.00 0.00 H new ATOM 0 HA ILE A 57 9.070 3.363 1.384 1.00 0.00 H new ATOM 0 HB ILE A 57 6.606 5.143 1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.997 5.554 3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.400 4.917 3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.457 3.111 2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.238 2.848 0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.992 2.215 2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.089 3.848 5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.353 2.658 4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.975 3.305 3.682 1.00 0.00 H new ATOM 725 N ARG A 58 7.964 3.032 -0.942 1.00 0.00 N ATOM 726 CA ARG A 58 7.693 2.841 -2.365 1.00 0.00 C ATOM 727 C ARG A 58 6.807 1.616 -2.593 1.00 0.00 C ATOM 728 O ARG A 58 7.207 0.488 -2.297 1.00 0.00 O ATOM 729 CB ARG A 58 9.003 2.692 -3.148 1.00 0.00 C ATOM 730 CG ARG A 58 8.864 3.003 -4.632 1.00 0.00 C ATOM 731 CD ARG A 58 10.124 3.653 -5.189 1.00 0.00 C ATOM 732 NE ARG A 58 10.586 3.006 -6.421 1.00 0.00 N ATOM 733 CZ ARG A 58 11.803 3.179 -6.945 1.00 0.00 C ATOM 734 NH1 ARG A 58 12.686 3.978 -6.352 1.00 0.00 N ATOM 735 NH2 ARG A 58 12.138 2.552 -8.069 1.00 0.00 N ATOM 0 H ARG A 58 7.869 2.186 -0.381 1.00 0.00 H new ATOM 0 HA ARG A 58 7.164 3.723 -2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.753 3.354 -2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.372 1.673 -3.032 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.656 2.084 -5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.013 3.666 -4.787 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.930 4.707 -5.386 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.914 3.609 -4.440 1.00 0.00 H new ATOM 0 HE ARG A 58 9.939 2.386 -6.908 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.436 4.464 -5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.613 4.105 -6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.466 1.939 -8.531 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.067 2.684 -8.469 1.00 0.00 H new ATOM 749 N PHE A 59 5.604 1.846 -3.119 1.00 0.00 N ATOM 750 CA PHE A 59 4.662 0.761 -3.389 1.00 0.00 C ATOM 751 C PHE A 59 4.761 0.309 -4.845 1.00 0.00 C ATOM 752 O PHE A 59 4.609 1.116 -5.764 1.00 0.00 O ATOM 753 CB PHE A 59 3.228 1.206 -3.072 1.00 0.00 C ATOM 754 CG PHE A 59 2.764 0.825 -1.690 1.00 0.00 C ATOM 755 CD1 PHE A 59 3.571 1.050 -0.584 1.00 0.00 C ATOM 756 CD2 PHE A 59 1.521 0.242 -1.498 1.00 0.00 C ATOM 757 CE1 PHE A 59 3.146 0.700 0.685 1.00 0.00 C ATOM 758 CE2 PHE A 59 1.092 -0.109 -0.231 1.00 0.00 C ATOM 759 CZ PHE A 59 1.905 0.120 0.861 1.00 0.00 C ATOM 0 H PHE A 59 5.259 2.774 -3.366 1.00 0.00 H new ATOM 0 HA PHE A 59 4.920 -0.081 -2.747 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.161 2.288 -3.182 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.551 0.768 -3.806 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.542 1.504 -0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.880 0.060 -2.348 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.784 0.880 1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.121 -0.562 -0.096 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.571 -0.154 1.851 1.00 0.00 H new ATOM 769 N ARG A 60 5.022 -0.982 -5.049 1.00 0.00 N ATOM 770 CA ARG A 60 5.147 -1.537 -6.395 1.00 0.00 C ATOM 771 C ARG A 60 3.928 -2.382 -6.761 1.00 0.00 C ATOM 772 O ARG A 60 3.648 -3.396 -6.120 1.00 0.00 O ATOM 773 CB ARG A 60 6.418 -2.383 -6.506 1.00 0.00 C ATOM 774 CG ARG A 60 7.562 -1.678 -7.218 1.00 0.00 C ATOM 775 CD ARG A 60 8.504 -2.673 -7.881 1.00 0.00 C ATOM 776 NE ARG A 60 8.732 -2.361 -9.293 1.00 0.00 N ATOM 777 CZ ARG A 60 9.490 -3.100 -10.108 1.00 0.00 C ATOM 778 NH1 ARG A 60 10.092 -4.197 -9.657 1.00 0.00 N ATOM 779 NH2 ARG A 60 9.644 -2.741 -11.378 1.00 0.00 N ATOM 0 H ARG A 60 5.151 -1.662 -4.300 1.00 0.00 H new ATOM 0 HA ARG A 60 5.208 -0.703 -7.094 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.744 -2.666 -5.505 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.184 -3.305 -7.038 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.160 -0.999 -7.970 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.117 -1.070 -6.504 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.457 -2.676 -7.353 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.089 -3.677 -7.795 1.00 0.00 H new ATOM 0 HE ARG A 60 8.285 -1.529 -9.678 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.976 -4.479 -8.683 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.669 -4.757 -10.285 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.184 -1.902 -11.730 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.223 -3.305 -12.001 1.00 0.00 H new ATOM 793 N PHE A 61 3.212 -1.954 -7.800 1.00 0.00 N ATOM 794 CA PHE A 61 2.025 -2.665 -8.269 1.00 0.00 C ATOM 795 C PHE A 61 2.194 -3.074 -9.731 1.00 0.00 C ATOM 796 O PHE A 61 2.050 -2.248 -10.635 1.00 0.00 O ATOM 797 CB PHE A 61 0.780 -1.787 -8.106 1.00 0.00 C ATOM 798 CG PHE A 61 -0.511 -2.506 -8.391 1.00 0.00 C ATOM 799 CD1 PHE A 61 -1.063 -3.367 -7.455 1.00 0.00 C ATOM 800 CD2 PHE A 61 -1.173 -2.317 -9.594 1.00 0.00 C ATOM 801 CE1 PHE A 61 -2.250 -4.026 -7.715 1.00 0.00 C ATOM 802 CE2 PHE A 61 -2.361 -2.973 -9.858 1.00 0.00 C ATOM 803 CZ PHE A 61 -2.900 -3.828 -8.917 1.00 0.00 C ATOM 0 H PHE A 61 3.435 -1.114 -8.335 1.00 0.00 H new ATOM 0 HA PHE A 61 1.899 -3.565 -7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.752 -1.398 -7.088 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.862 -0.929 -8.773 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.560 -3.525 -6.512 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.756 -1.650 -10.334 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.669 -4.695 -6.978 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.867 -2.817 -10.799 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.828 -4.341 -9.121 1.00 0.00 H new ATOM 813 N ASP A 62 2.508 -4.352 -9.951 1.00 0.00 N ATOM 814 CA ASP A 62 2.710 -4.884 -11.301 1.00 0.00 C ATOM 815 C ASP A 62 3.800 -4.106 -12.045 1.00 0.00 C ATOM 816 O ASP A 62 3.689 -3.850 -13.247 1.00 0.00 O ATOM 817 CB ASP A 62 1.397 -4.852 -12.092 1.00 0.00 C ATOM 818 CG ASP A 62 1.222 -6.078 -12.966 1.00 0.00 C ATOM 819 OD1 ASP A 62 0.929 -7.161 -12.416 1.00 0.00 O ATOM 820 OD2 ASP A 62 1.381 -5.958 -14.199 1.00 0.00 O ATOM 0 H ASP A 62 2.628 -5.041 -9.208 1.00 0.00 H new ATOM 0 HA ASP A 62 3.038 -5.919 -11.208 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.559 -4.780 -11.398 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.372 -3.958 -12.715 1.00 0.00 H new ATOM 825 N GLY A 63 4.856 -3.733 -11.319 1.00 0.00 N ATOM 826 CA GLY A 63 5.953 -2.989 -11.916 1.00 0.00 C ATOM 827 C GLY A 63 5.628 -1.517 -12.134 1.00 0.00 C ATOM 828 O GLY A 63 6.214 -0.874 -13.007 1.00 0.00 O ATOM 0 H GLY A 63 4.969 -3.935 -10.326 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.831 -3.070 -11.275 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.214 -3.443 -12.872 1.00 0.00 H new ATOM 832 N GLN A 64 4.698 -0.981 -11.341 1.00 0.00 N ATOM 833 CA GLN A 64 4.305 0.420 -11.455 1.00 0.00 C ATOM 834 C GLN A 64 4.441 1.132 -10.108 1.00 0.00 C ATOM 835 O GLN A 64 3.505 1.138 -9.306 1.00 0.00 O ATOM 836 CB GLN A 64 2.863 0.531 -11.960 1.00 0.00 C ATOM 837 CG GLN A 64 2.708 0.233 -13.443 1.00 0.00 C ATOM 838 CD GLN A 64 1.267 0.333 -13.911 1.00 0.00 C ATOM 839 OE1 GLN A 64 0.693 1.421 -13.959 1.00 0.00 O ATOM 840 NE2 GLN A 64 0.672 -0.804 -14.257 1.00 0.00 N ATOM 0 H GLN A 64 4.204 -1.498 -10.614 1.00 0.00 H new ATOM 0 HA GLN A 64 4.970 0.901 -12.172 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.235 -0.157 -11.393 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.494 1.537 -11.761 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.321 0.929 -14.016 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.085 -0.769 -13.650 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.184 -1.685 -14.203 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.296 -0.796 -14.577 1.00 0.00 H new ATOM 849 N PRO A 65 5.618 1.736 -9.840 1.00 0.00 N ATOM 850 CA PRO A 65 5.883 2.453 -8.583 1.00 0.00 C ATOM 851 C PRO A 65 4.835 3.525 -8.295 1.00 0.00 C ATOM 852 O PRO A 65 4.705 4.497 -9.043 1.00 0.00 O ATOM 853 CB PRO A 65 7.255 3.093 -8.817 1.00 0.00 C ATOM 854 CG PRO A 65 7.899 2.236 -9.849 1.00 0.00 C ATOM 855 CD PRO A 65 6.786 1.760 -10.740 1.00 0.00 C ATOM 0 HA PRO A 65 5.852 1.787 -7.721 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.158 4.123 -9.161 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.843 3.117 -7.899 1.00 0.00 H new ATOM 0 HG2 PRO A 65 8.641 2.798 -10.416 1.00 0.00 H new ATOM 0 HG3 PRO A 65 8.419 1.395 -9.390 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.630 2.433 -11.583 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.996 0.774 -11.154 1.00 0.00 H new ATOM 863 N ILE A 66 4.090 3.338 -7.207 1.00 0.00 N ATOM 864 CA ILE A 66 3.050 4.284 -6.815 1.00 0.00 C ATOM 865 C ILE A 66 3.354 4.913 -5.456 1.00 0.00 C ATOM 866 O ILE A 66 3.836 4.240 -4.542 1.00 0.00 O ATOM 867 CB ILE A 66 1.656 3.614 -6.763 1.00 0.00 C ATOM 868 CG1 ILE A 66 1.706 2.313 -5.953 1.00 0.00 C ATOM 869 CG2 ILE A 66 1.143 3.348 -8.172 1.00 0.00 C ATOM 870 CD1 ILE A 66 0.352 1.659 -5.768 1.00 0.00 C ATOM 0 H ILE A 66 4.188 2.538 -6.581 1.00 0.00 H new ATOM 0 HA ILE A 66 3.038 5.063 -7.577 1.00 0.00 H new ATOM 0 HB ILE A 66 0.967 4.296 -6.265 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.374 1.610 -6.451 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.136 2.521 -4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.162 2.877 -8.119 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.064 4.290 -8.714 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.836 2.687 -8.693 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.466 0.745 -5.186 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.314 2.343 -5.242 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.072 1.418 -6.743 1.00 0.00 H new ATOM 882 N ASN A 67 3.064 6.208 -5.335 1.00 0.00 N ATOM 883 CA ASN A 67 3.298 6.941 -4.090 1.00 0.00 C ATOM 884 C ASN A 67 2.064 6.885 -3.188 1.00 0.00 C ATOM 885 O ASN A 67 1.008 6.403 -3.600 1.00 0.00 O ATOM 886 CB ASN A 67 3.655 8.402 -4.391 1.00 0.00 C ATOM 887 CG ASN A 67 5.112 8.715 -4.110 1.00 0.00 C ATOM 888 OD1 ASN A 67 5.509 8.890 -2.958 1.00 0.00 O ATOM 889 ND2 ASN A 67 5.918 8.787 -5.163 1.00 0.00 N ATOM 0 H ASN A 67 2.666 6.773 -6.085 1.00 0.00 H new ATOM 0 HA ASN A 67 4.132 6.469 -3.570 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.436 8.618 -5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.024 9.058 -3.791 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.908 8.994 -5.034 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.547 8.635 -6.101 1.00 0.00 H new ATOM 896 N GLU A 68 2.198 7.388 -1.957 1.00 0.00 N ATOM 897 CA GLU A 68 1.083 7.398 -1.005 1.00 0.00 C ATOM 898 C GLU A 68 -0.040 8.336 -1.468 1.00 0.00 C ATOM 899 O GLU A 68 -1.181 8.210 -1.025 1.00 0.00 O ATOM 900 CB GLU A 68 1.565 7.806 0.395 1.00 0.00 C ATOM 901 CG GLU A 68 2.095 9.232 0.480 1.00 0.00 C ATOM 902 CD GLU A 68 1.991 9.825 1.877 1.00 0.00 C ATOM 903 OE1 GLU A 68 0.975 9.571 2.562 1.00 0.00 O ATOM 904 OE2 GLU A 68 2.926 10.544 2.286 1.00 0.00 O ATOM 0 H GLU A 68 3.063 7.792 -1.598 1.00 0.00 H new ATOM 0 HA GLU A 68 0.684 6.385 -0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.740 7.694 1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.350 7.119 0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.138 9.245 0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.542 9.861 -0.217 1.00 0.00 H new ATOM 911 N THR A 69 0.285 9.276 -2.361 1.00 0.00 N ATOM 912 CA THR A 69 -0.706 10.227 -2.874 1.00 0.00 C ATOM 913 C THR A 69 -1.479 9.658 -4.077 1.00 0.00 C ATOM 914 O THR A 69 -1.949 10.415 -4.930 1.00 0.00 O ATOM 915 CB THR A 69 -0.023 11.545 -3.272 1.00 0.00 C ATOM 916 OG1 THR A 69 0.730 11.389 -4.466 1.00 0.00 O ATOM 917 CG2 THR A 69 0.911 12.090 -2.208 1.00 0.00 C ATOM 0 H THR A 69 1.223 9.399 -2.742 1.00 0.00 H new ATOM 0 HA THR A 69 -1.422 10.413 -2.074 1.00 0.00 H new ATOM 0 HB THR A 69 -0.840 12.253 -3.411 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.153 12.241 -4.699 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.357 13.021 -2.558 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.350 12.278 -1.293 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.698 11.363 -2.008 1.00 0.00 H new ATOM 925 N ASP A 70 -1.618 8.329 -4.143 1.00 0.00 N ATOM 926 CA ASP A 70 -2.339 7.690 -5.244 1.00 0.00 C ATOM 927 C ASP A 70 -3.843 7.665 -4.977 1.00 0.00 C ATOM 928 O ASP A 70 -4.287 7.935 -3.861 1.00 0.00 O ATOM 929 CB ASP A 70 -1.822 6.266 -5.471 1.00 0.00 C ATOM 930 CG ASP A 70 -1.677 5.938 -6.944 1.00 0.00 C ATOM 931 OD1 ASP A 70 -2.701 5.615 -7.585 1.00 0.00 O ATOM 932 OD2 ASP A 70 -0.542 6.010 -7.458 1.00 0.00 O ATOM 0 H ASP A 70 -1.243 7.681 -3.451 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.161 8.278 -6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.857 6.149 -4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.506 5.555 -5.008 1.00 0.00 H new ATOM 937 N THR A 71 -4.620 7.334 -6.013 1.00 0.00 N ATOM 938 CA THR A 71 -6.082 7.268 -5.904 1.00 0.00 C ATOM 939 C THR A 71 -6.706 6.655 -7.163 1.00 0.00 C ATOM 940 O THR A 71 -7.415 5.653 -7.075 1.00 0.00 O ATOM 941 CB THR A 71 -6.697 8.655 -5.648 1.00 0.00 C ATOM 942 OG1 THR A 71 -5.728 9.691 -5.755 1.00 0.00 O ATOM 943 CG2 THR A 71 -7.353 8.771 -4.289 1.00 0.00 C ATOM 0 H THR A 71 -4.260 7.107 -6.940 1.00 0.00 H new ATOM 0 HA THR A 71 -6.304 6.628 -5.050 1.00 0.00 H new ATOM 0 HB THR A 71 -7.458 8.768 -6.420 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.155 10.557 -5.588 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.767 9.772 -4.169 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.153 8.035 -4.207 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.612 8.590 -3.511 1.00 0.00 H new ATOM 951 N PRO A 72 -6.462 7.249 -8.357 1.00 0.00 N ATOM 952 CA PRO A 72 -7.017 6.744 -9.622 1.00 0.00 C ATOM 953 C PRO A 72 -6.846 5.234 -9.789 1.00 0.00 C ATOM 954 O PRO A 72 -7.808 4.525 -10.088 1.00 0.00 O ATOM 955 CB PRO A 72 -6.213 7.495 -10.683 1.00 0.00 C ATOM 956 CG PRO A 72 -5.839 8.778 -10.028 1.00 0.00 C ATOM 957 CD PRO A 72 -5.638 8.460 -8.569 1.00 0.00 C ATOM 0 HA PRO A 72 -8.093 6.906 -9.682 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.330 6.931 -10.985 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.805 7.666 -11.582 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.929 9.188 -10.466 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.622 9.525 -10.160 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.588 8.275 -8.340 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.963 9.282 -7.931 1.00 0.00 H new ATOM 965 N ALA A 73 -5.621 4.746 -9.587 1.00 0.00 N ATOM 966 CA ALA A 73 -5.337 3.318 -9.710 1.00 0.00 C ATOM 967 C ALA A 73 -6.082 2.523 -8.640 1.00 0.00 C ATOM 968 O ALA A 73 -6.692 1.493 -8.934 1.00 0.00 O ATOM 969 CB ALA A 73 -3.840 3.057 -9.622 1.00 0.00 C ATOM 0 H ALA A 73 -4.813 5.317 -9.338 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.687 2.987 -10.688 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.651 1.988 -9.716 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.330 3.588 -10.426 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.465 3.409 -8.661 1.00 0.00 H new ATOM 975 N GLN A 74 -6.036 3.015 -7.400 1.00 0.00 N ATOM 976 CA GLN A 74 -6.716 2.356 -6.287 1.00 0.00 C ATOM 977 C GLN A 74 -8.227 2.284 -6.526 1.00 0.00 C ATOM 978 O GLN A 74 -8.884 1.338 -6.089 1.00 0.00 O ATOM 979 CB GLN A 74 -6.438 3.089 -4.973 1.00 0.00 C ATOM 980 CG GLN A 74 -6.936 2.330 -3.751 1.00 0.00 C ATOM 981 CD GLN A 74 -6.144 2.641 -2.496 1.00 0.00 C ATOM 982 OE1 GLN A 74 -5.511 1.759 -1.916 1.00 0.00 O ATOM 983 NE2 GLN A 74 -6.176 3.897 -2.066 1.00 0.00 N ATOM 0 H GLN A 74 -5.536 3.866 -7.143 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.325 1.341 -6.219 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.365 3.257 -4.877 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.913 4.070 -5.003 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.985 2.574 -3.582 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.885 1.259 -3.950 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.713 4.597 -2.577 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.663 4.161 -1.225 1.00 0.00 H new ATOM 992 N LEU A 75 -8.770 3.283 -7.225 1.00 0.00 N ATOM 993 CA LEU A 75 -10.197 3.326 -7.525 1.00 0.00 C ATOM 994 C LEU A 75 -10.534 2.343 -8.640 1.00 0.00 C ATOM 995 O LEU A 75 -11.586 1.703 -8.620 1.00 0.00 O ATOM 996 CB LEU A 75 -10.606 4.743 -7.930 1.00 0.00 C ATOM 997 CG LEU A 75 -12.113 5.017 -7.917 1.00 0.00 C ATOM 998 CD1 LEU A 75 -12.387 6.482 -7.609 1.00 0.00 C ATOM 999 CD2 LEU A 75 -12.739 4.620 -9.247 1.00 0.00 C ATOM 0 H LEU A 75 -8.240 4.073 -7.593 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.751 3.041 -6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.119 5.450 -7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.226 4.941 -8.932 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.567 4.413 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.463 6.658 -7.604 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.974 6.732 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.921 7.107 -8.370 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.810 4.822 -9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.282 5.197 -10.051 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.574 3.557 -9.424 1.00 0.00 H new ATOM 1011 N GLU A 76 -9.625 2.227 -9.610 1.00 0.00 N ATOM 1012 CA GLU A 76 -9.811 1.318 -10.737 1.00 0.00 C ATOM 1013 C GLU A 76 -9.979 -0.127 -10.256 1.00 0.00 C ATOM 1014 O GLU A 76 -10.714 -0.910 -10.859 1.00 0.00 O ATOM 1015 CB GLU A 76 -8.621 1.415 -11.701 1.00 0.00 C ATOM 1016 CG GLU A 76 -8.989 1.957 -13.075 1.00 0.00 C ATOM 1017 CD GLU A 76 -7.790 2.491 -13.838 1.00 0.00 C ATOM 1018 OE1 GLU A 76 -6.799 1.746 -13.989 1.00 0.00 O ATOM 1019 OE2 GLU A 76 -7.846 3.655 -14.287 1.00 0.00 O ATOM 0 H GLU A 76 -8.752 2.753 -9.635 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.720 1.613 -11.262 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.858 2.057 -11.259 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.177 0.426 -11.817 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.462 1.166 -13.658 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.725 2.753 -12.961 1.00 0.00 H new ATOM 1026 N MET A 77 -9.288 -0.471 -9.163 1.00 0.00 N ATOM 1027 CA MET A 77 -9.353 -1.819 -8.593 1.00 0.00 C ATOM 1028 C MET A 77 -10.759 -2.140 -8.076 1.00 0.00 C ATOM 1029 O MET A 77 -11.612 -1.256 -7.973 1.00 0.00 O ATOM 1030 CB MET A 77 -8.346 -1.965 -7.445 1.00 0.00 C ATOM 1031 CG MET A 77 -6.938 -1.499 -7.785 1.00 0.00 C ATOM 1032 SD MET A 77 -5.723 -1.999 -6.547 1.00 0.00 S ATOM 1033 CE MET A 77 -4.590 -0.612 -6.594 1.00 0.00 C ATOM 0 H MET A 77 -8.676 0.168 -8.656 1.00 0.00 H new ATOM 0 HA MET A 77 -9.105 -2.522 -9.389 1.00 0.00 H new ATOM 0 HB2 MET A 77 -8.706 -1.398 -6.587 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.307 -3.011 -7.142 1.00 0.00 H new ATOM 0 HG2 MET A 77 -6.650 -1.903 -8.755 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.931 -0.413 -7.877 1.00 0.00 H new ATOM 0 HE1 MET A 77 -3.571 -0.979 -6.715 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.844 0.037 -7.432 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.665 -0.049 -5.664 1.00 0.00 H new ATOM 1043 N GLU A 78 -10.986 -3.412 -7.735 1.00 0.00 N ATOM 1044 CA GLU A 78 -12.281 -3.851 -7.211 1.00 0.00 C ATOM 1045 C GLU A 78 -12.169 -4.252 -5.736 1.00 0.00 C ATOM 1046 O GLU A 78 -12.900 -3.730 -4.892 1.00 0.00 O ATOM 1047 CB GLU A 78 -12.854 -5.013 -8.040 1.00 0.00 C ATOM 1048 CG GLU A 78 -11.854 -6.118 -8.355 1.00 0.00 C ATOM 1049 CD GLU A 78 -12.396 -7.136 -9.343 1.00 0.00 C ATOM 1050 OE1 GLU A 78 -12.842 -6.729 -10.437 1.00 0.00 O ATOM 1051 OE2 GLU A 78 -12.372 -8.344 -9.022 1.00 0.00 O ATOM 0 H GLU A 78 -10.291 -4.154 -7.813 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.968 -3.008 -7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.697 -5.446 -7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.245 -4.616 -8.977 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.944 -5.674 -8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.578 -6.626 -7.431 1.00 0.00 H new ATOM 1058 N ASP A 79 -11.248 -5.173 -5.430 1.00 0.00 N ATOM 1059 CA ASP A 79 -11.041 -5.632 -4.053 1.00 0.00 C ATOM 1060 C ASP A 79 -9.852 -6.592 -3.956 1.00 0.00 C ATOM 1061 O ASP A 79 -8.992 -6.433 -3.090 1.00 0.00 O ATOM 1062 CB ASP A 79 -12.309 -6.304 -3.499 1.00 0.00 C ATOM 1063 CG ASP A 79 -12.880 -7.359 -4.429 1.00 0.00 C ATOM 1064 OD1 ASP A 79 -13.717 -7.007 -5.288 1.00 0.00 O ATOM 1065 OD2 ASP A 79 -12.494 -8.538 -4.294 1.00 0.00 O ATOM 0 H ASP A 79 -10.636 -5.614 -6.116 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.820 -4.752 -3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.079 -6.762 -2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.066 -5.542 -3.316 1.00 0.00 H new ATOM 1070 N GLU A 80 -9.812 -7.587 -4.845 1.00 0.00 N ATOM 1071 CA GLU A 80 -8.731 -8.572 -4.853 1.00 0.00 C ATOM 1072 C GLU A 80 -7.528 -8.059 -5.646 1.00 0.00 C ATOM 1073 O GLU A 80 -7.464 -8.223 -6.867 1.00 0.00 O ATOM 1074 CB GLU A 80 -9.226 -9.896 -5.448 1.00 0.00 C ATOM 1075 CG GLU A 80 -9.833 -10.842 -4.423 1.00 0.00 C ATOM 1076 CD GLU A 80 -8.865 -11.919 -3.968 1.00 0.00 C ATOM 1077 OE1 GLU A 80 -8.486 -12.770 -4.802 1.00 0.00 O ATOM 1078 OE2 GLU A 80 -8.489 -11.915 -2.776 1.00 0.00 O ATOM 0 H GLU A 80 -10.517 -7.731 -5.568 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.416 -8.738 -3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.969 -9.683 -6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.392 -10.396 -5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.163 -10.268 -3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.718 -11.313 -4.850 1.00 0.00 H new ATOM 1085 N ASP A 81 -6.578 -7.434 -4.947 1.00 0.00 N ATOM 1086 CA ASP A 81 -5.382 -6.896 -5.594 1.00 0.00 C ATOM 1087 C ASP A 81 -4.138 -7.111 -4.732 1.00 0.00 C ATOM 1088 O ASP A 81 -4.175 -6.936 -3.511 1.00 0.00 O ATOM 1089 CB ASP A 81 -5.565 -5.404 -5.894 1.00 0.00 C ATOM 1090 CG ASP A 81 -6.475 -5.163 -7.085 1.00 0.00 C ATOM 1091 OD1 ASP A 81 -7.711 -5.157 -6.898 1.00 0.00 O ATOM 1092 OD2 ASP A 81 -5.952 -4.983 -8.205 1.00 0.00 O ATOM 0 H ASP A 81 -6.614 -7.289 -3.938 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.239 -7.434 -6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.979 -4.907 -5.017 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.592 -4.952 -6.086 1.00 0.00 H new ATOM 1097 N THR A 82 -3.037 -7.495 -5.382 1.00 0.00 N ATOM 1098 CA THR A 82 -1.773 -7.742 -4.689 1.00 0.00 C ATOM 1099 C THR A 82 -0.749 -6.653 -5.002 1.00 0.00 C ATOM 1100 O THR A 82 -0.668 -6.167 -6.131 1.00 0.00 O ATOM 1101 CB THR A 82 -1.204 -9.113 -5.074 1.00 0.00 C ATOM 1102 OG1 THR A 82 -1.561 -9.465 -6.405 1.00 0.00 O ATOM 1103 CG2 THR A 82 -1.669 -10.226 -4.159 1.00 0.00 C ATOM 0 H THR A 82 -2.997 -7.642 -6.391 1.00 0.00 H new ATOM 0 HA THR A 82 -1.977 -7.728 -3.618 1.00 0.00 H new ATOM 0 HB THR A 82 -0.123 -9.010 -4.980 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.183 -10.342 -6.624 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.232 -11.170 -4.484 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.354 -10.013 -3.138 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.756 -10.297 -4.196 1.00 0.00 H new ATOM 1111 N ILE A 83 0.035 -6.281 -3.991 1.00 0.00 N ATOM 1112 CA ILE A 83 1.062 -5.252 -4.146 1.00 0.00 C ATOM 1113 C ILE A 83 2.369 -5.690 -3.484 1.00 0.00 C ATOM 1114 O ILE A 83 2.396 -6.663 -2.729 1.00 0.00 O ATOM 1115 CB ILE A 83 0.623 -3.897 -3.537 1.00 0.00 C ATOM 1116 CG1 ILE A 83 -0.905 -3.754 -3.546 1.00 0.00 C ATOM 1117 CG2 ILE A 83 1.263 -2.740 -4.294 1.00 0.00 C ATOM 1118 CD1 ILE A 83 -1.596 -4.478 -2.409 1.00 0.00 C ATOM 0 H ILE A 83 -0.022 -6.678 -3.053 1.00 0.00 H new ATOM 0 HA ILE A 83 1.213 -5.119 -5.217 1.00 0.00 H new ATOM 0 HB ILE A 83 0.961 -3.871 -2.501 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.161 -2.696 -3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.290 -4.133 -4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.944 -1.796 -3.853 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.348 -2.821 -4.232 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.955 -2.775 -5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.673 -4.329 -2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.372 -5.543 -2.466 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.241 -4.083 -1.457 1.00 0.00 H new ATOM 1130 N ASP A 84 3.447 -4.960 -3.768 1.00 0.00 N ATOM 1131 CA ASP A 84 4.759 -5.260 -3.200 1.00 0.00 C ATOM 1132 C ASP A 84 5.419 -3.990 -2.677 1.00 0.00 C ATOM 1133 O ASP A 84 5.847 -3.138 -3.457 1.00 0.00 O ATOM 1134 CB ASP A 84 5.670 -5.914 -4.244 1.00 0.00 C ATOM 1135 CG ASP A 84 5.136 -7.239 -4.752 1.00 0.00 C ATOM 1136 OD1 ASP A 84 4.878 -8.137 -3.923 1.00 0.00 O ATOM 1137 OD2 ASP A 84 4.977 -7.378 -5.983 1.00 0.00 O ATOM 0 H ASP A 84 3.436 -4.153 -4.391 1.00 0.00 H new ATOM 0 HA ASP A 84 4.612 -5.956 -2.374 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.796 -5.233 -5.086 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.658 -6.069 -3.810 1.00 0.00 H new ATOM 1142 N VAL A 85 5.501 -3.865 -1.356 1.00 0.00 N ATOM 1143 CA VAL A 85 6.112 -2.691 -0.745 1.00 0.00 C ATOM 1144 C VAL A 85 7.636 -2.817 -0.707 1.00 0.00 C ATOM 1145 O VAL A 85 8.182 -3.766 -0.138 1.00 0.00 O ATOM 1146 CB VAL A 85 5.570 -2.433 0.680 1.00 0.00 C ATOM 1147 CG1 VAL A 85 5.904 -3.590 1.613 1.00 0.00 C ATOM 1148 CG2 VAL A 85 6.114 -1.118 1.224 1.00 0.00 C ATOM 0 H VAL A 85 5.154 -4.558 -0.692 1.00 0.00 H new ATOM 0 HA VAL A 85 5.844 -1.838 -1.369 1.00 0.00 H new ATOM 0 HB VAL A 85 4.484 -2.359 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.510 -3.381 2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.455 -4.507 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.986 -3.712 1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.724 -0.950 2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.202 -1.162 1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.806 -0.300 0.573 1.00 0.00 H new ATOM 1158 N PHE A 86 8.315 -1.853 -1.327 1.00 0.00 N ATOM 1159 CA PHE A 86 9.774 -1.847 -1.379 1.00 0.00 C ATOM 1160 C PHE A 86 10.346 -0.554 -0.795 1.00 0.00 C ATOM 1161 O PHE A 86 9.616 0.414 -0.566 1.00 0.00 O ATOM 1162 CB PHE A 86 10.247 -2.021 -2.824 1.00 0.00 C ATOM 1163 CG PHE A 86 10.095 -3.424 -3.343 1.00 0.00 C ATOM 1164 CD1 PHE A 86 11.018 -4.403 -3.013 1.00 0.00 C ATOM 1165 CD2 PHE A 86 9.029 -3.763 -4.162 1.00 0.00 C ATOM 1166 CE1 PHE A 86 10.882 -5.693 -3.490 1.00 0.00 C ATOM 1167 CE2 PHE A 86 8.888 -5.051 -4.642 1.00 0.00 C ATOM 1168 CZ PHE A 86 9.816 -6.017 -4.305 1.00 0.00 C ATOM 0 H PHE A 86 7.875 -1.064 -1.801 1.00 0.00 H new ATOM 0 HA PHE A 86 10.136 -2.680 -0.776 1.00 0.00 H new ATOM 0 HB2 PHE A 86 9.685 -1.342 -3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.295 -1.729 -2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.854 -4.155 -2.375 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.300 -3.012 -4.428 1.00 0.00 H new ATOM 0 HE1 PHE A 86 11.609 -6.447 -3.225 1.00 0.00 H new ATOM 0 HE2 PHE A 86 8.053 -5.302 -5.280 1.00 0.00 H new ATOM 0 HZ PHE A 86 9.708 -7.025 -4.679 1.00 0.00 H new ATOM 1178 N GLN A 87 11.658 -0.548 -0.554 1.00 0.00 N ATOM 1179 CA GLN A 87 12.339 0.618 0.007 1.00 0.00 C ATOM 1180 C GLN A 87 13.520 1.034 -0.877 1.00 0.00 C ATOM 1181 O GLN A 87 14.598 0.441 -0.798 1.00 0.00 O ATOM 1182 CB GLN A 87 12.828 0.305 1.427 1.00 0.00 C ATOM 1183 CG GLN A 87 11.714 -0.090 2.390 1.00 0.00 C ATOM 1184 CD GLN A 87 12.207 -0.971 3.527 1.00 0.00 C ATOM 1185 OE1 GLN A 87 13.343 -0.839 3.983 1.00 0.00 O ATOM 1186 NE2 GLN A 87 11.353 -1.876 3.997 1.00 0.00 N ATOM 0 H GLN A 87 12.272 -1.341 -0.740 1.00 0.00 H new ATOM 0 HA GLN A 87 11.632 1.446 0.046 1.00 0.00 H new ATOM 0 HB2 GLN A 87 13.558 -0.503 1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 87 13.345 1.179 1.824 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.261 0.811 2.804 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.933 -0.616 1.840 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.420 -1.955 3.593 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.631 -2.491 4.762 1.00 0.00 H new ATOM 1195 N GLN A 88 13.312 2.050 -1.721 1.00 0.00 N ATOM 1196 CA GLN A 88 14.367 2.531 -2.619 1.00 0.00 C ATOM 1197 C GLN A 88 14.394 4.060 -2.686 1.00 0.00 C ATOM 1198 O GLN A 88 13.414 4.687 -3.093 1.00 0.00 O ATOM 1199 CB GLN A 88 14.177 1.959 -4.030 1.00 0.00 C ATOM 1200 CG GLN A 88 14.303 0.444 -4.101 1.00 0.00 C ATOM 1201 CD GLN A 88 12.981 -0.244 -4.392 1.00 0.00 C ATOM 1202 OE1 GLN A 88 11.909 0.303 -4.129 1.00 0.00 O ATOM 1203 NE2 GLN A 88 13.050 -1.453 -4.938 1.00 0.00 N ATOM 0 H GLN A 88 12.428 2.553 -1.801 1.00 0.00 H new ATOM 0 HA GLN A 88 15.319 2.187 -2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.194 2.250 -4.401 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.914 2.407 -4.696 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.023 0.180 -4.876 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.700 0.072 -3.156 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.959 -1.870 -5.140 1.00 0.00 H new ATOM 0 HE22 GLN A 88 12.194 -1.964 -5.155 1.00 0.00 H new ATOM 1212 N GLN A 89 15.530 4.649 -2.296 1.00 0.00 N ATOM 1213 CA GLN A 89 15.699 6.104 -2.322 1.00 0.00 C ATOM 1214 C GLN A 89 16.808 6.507 -3.292 1.00 0.00 C ATOM 1215 O GLN A 89 16.598 7.343 -4.170 1.00 0.00 O ATOM 1216 CB GLN A 89 16.022 6.641 -0.924 1.00 0.00 C ATOM 1217 CG GLN A 89 15.152 7.818 -0.509 1.00 0.00 C ATOM 1218 CD GLN A 89 15.302 9.014 -1.434 1.00 0.00 C ATOM 1219 OE1 GLN A 89 14.713 9.052 -2.515 1.00 0.00 O ATOM 1220 NE2 GLN A 89 16.096 9.996 -1.018 1.00 0.00 N ATOM 0 H GLN A 89 16.346 4.139 -1.958 1.00 0.00 H new ATOM 0 HA GLN A 89 14.758 6.538 -2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.902 5.837 -0.198 1.00 0.00 H new ATOM 0 HB3 GLN A 89 17.068 6.944 -0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.108 7.505 -0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.411 8.115 0.507 1.00 0.00 H new ATOM 0 HE21 GLN A 89 16.565 9.925 -0.115 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.236 10.821 -1.602 1.00 0.00 H new ATOM 1229 N THR A 90 17.990 5.905 -3.116 1.00 0.00 N ATOM 1230 CA THR A 90 19.151 6.185 -3.964 1.00 0.00 C ATOM 1231 C THR A 90 19.691 7.595 -3.710 1.00 0.00 C ATOM 1232 O THR A 90 19.195 8.574 -4.273 1.00 0.00 O ATOM 1233 CB THR A 90 18.794 6.004 -5.445 1.00 0.00 C ATOM 1234 OG1 THR A 90 18.291 4.700 -5.685 1.00 0.00 O ATOM 1235 CG2 THR A 90 19.968 6.221 -6.379 1.00 0.00 C ATOM 0 H THR A 90 18.167 5.215 -2.386 1.00 0.00 H new ATOM 0 HA THR A 90 19.935 5.472 -3.707 1.00 0.00 H new ATOM 0 HB THR A 90 18.041 6.764 -5.653 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.068 4.605 -6.634 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.644 6.077 -7.410 1.00 0.00 H new ATOM 0 HG22 THR A 90 20.348 7.235 -6.256 1.00 0.00 H new ATOM 0 HG23 THR A 90 20.757 5.507 -6.144 1.00 0.00 H new ATOM 1243 N GLY A 91 20.712 7.685 -2.853 1.00 0.00 N ATOM 1244 CA GLY A 91 21.313 8.969 -2.527 1.00 0.00 C ATOM 1245 C GLY A 91 22.619 9.213 -3.265 1.00 0.00 C ATOM 1246 O GLY A 91 23.568 8.438 -3.129 1.00 0.00 O ATOM 0 H GLY A 91 21.133 6.886 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 91 20.610 9.766 -2.769 1.00 0.00 H new ATOM 0 HA3 GLY A 91 21.493 9.018 -1.453 1.00 0.00 H new ATOM 1250 N GLY A 92 22.665 10.296 -4.043 1.00 0.00 N ATOM 1251 CA GLY A 92 23.865 10.635 -4.796 1.00 0.00 C ATOM 1252 C GLY A 92 23.737 10.328 -6.278 1.00 0.00 C ATOM 1253 O GLY A 92 22.651 10.572 -6.847 1.00 0.00 O ATOM 0 H GLY A 92 21.889 10.947 -4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 92 24.082 11.695 -4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 92 24.712 10.084 -4.388 1.00 0.00 H new TER 1257 GLY A 92