USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 753 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 86 ASN : amide:sc= -1.61 X(o=-5.7,f=-5.8!) USER MOD Set 1.2: A 88 ASN : amide:sc= -4.05! C(o=-5.7!,f=-5.2!) USER MOD Set 2.1: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 45 ASN : amide:sc= 0.33 K(o=-0.65,f=-12!) USER MOD Set 3.2: A 93 LYS NZ :NH3+ -150:sc= -0.982 (180deg=-4.29!) USER MOD Set 4.1: A 5 SER OG : rot -136:sc= 1.13! USER MOD Set 4.2: A 41 SER OG : rot 122:sc= -0.115 USER MOD Single : A 1 MET CE :methyl -177:sc= -26.3! (180deg=-26.8!) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0304 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= -2.26 (180deg=-2.89!) USER MOD Single : A 6 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.054) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 9 TYR OH : rot 180:sc= -1.84! USER MOD Single : A 11 ASN : amide:sc= -0.163! K(o=-0.16!,f=-1.1) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 156:sc= -2.15 (180deg=-3.51!) USER MOD Single : A 24 ASN : amide:sc= -5.43! C(o=-5.4!,f=-14!) USER MOD Single : A 28 SER OG : rot -78:sc= 1.18 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.092) USER MOD Single : A 34 CYS SG : rot 88:sc= -0.634 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 62:sc= 0.954 USER MOD Single : A 42 ASN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -4.29! USER MOD Single : A 52 SER OG : rot 170:sc= -2.73! USER MOD Single : A 55 SER OG : rot -68:sc= -0.324 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0354 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0124 USER MOD Single : A 73 MET CE :methyl -148:sc= -11.4! (180deg=-13.6!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.627 X(o=-0.63,f=-0.4) USER MOD Single : A 81 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.012) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 73:sc= 0.167 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 30:sc= -2.66! USER MOD Single : A 101 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.298) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.713 5.305 13.731 1.00 0.00 N ATOM 2 CA MET A 1 3.143 5.586 12.336 1.00 0.00 C ATOM 3 C MET A 1 3.220 7.068 12.062 1.00 0.00 C ATOM 4 O MET A 1 2.489 7.858 12.659 1.00 0.00 O ATOM 5 CB MET A 1 2.120 5.002 11.363 1.00 0.00 C ATOM 6 CG MET A 1 2.610 4.964 9.929 1.00 0.00 C ATOM 7 SD MET A 1 2.490 3.358 9.154 1.00 0.00 S ATOM 8 CE MET A 1 2.884 2.317 10.533 1.00 0.00 C ATOM 0 H1 MET A 1 1.968 4.579 13.725 1.00 0.00 H new ATOM 0 H2 MET A 1 3.526 4.963 14.282 1.00 0.00 H new ATOM 0 H3 MET A 1 2.344 6.176 14.163 1.00 0.00 H new ATOM 0 HA MET A 1 4.129 5.140 12.206 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.864 3.991 11.679 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.205 5.592 11.411 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.037 5.682 9.342 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.650 5.290 9.904 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.906 1.277 10.209 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.860 2.594 10.931 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.128 2.439 11.309 1.00 0.00 H new ATOM 20 N ASP A 2 4.047 7.440 11.095 1.00 0.00 N ATOM 21 CA ASP A 2 4.120 8.824 10.699 1.00 0.00 C ATOM 22 C ASP A 2 2.740 9.186 10.180 1.00 0.00 C ATOM 23 O ASP A 2 2.035 8.326 9.666 1.00 0.00 O ATOM 24 CB ASP A 2 5.176 9.041 9.620 1.00 0.00 C ATOM 25 CG ASP A 2 6.563 9.253 10.194 1.00 0.00 C ATOM 26 OD1 ASP A 2 7.212 8.254 10.569 1.00 0.00 O ATOM 27 OD2 ASP A 2 7.002 10.421 10.268 1.00 0.00 O ATOM 0 H ASP A 2 4.664 6.809 10.583 1.00 0.00 H new ATOM 0 HA ASP A 2 4.410 9.453 11.540 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.191 8.179 8.953 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.901 9.906 9.017 1.00 0.00 H new ATOM 32 N ILE A 3 2.337 10.421 10.347 1.00 0.00 N ATOM 33 CA ILE A 3 1.007 10.851 9.930 1.00 0.00 C ATOM 34 C ILE A 3 0.628 10.358 8.542 1.00 0.00 C ATOM 35 O ILE A 3 -0.418 9.735 8.361 1.00 0.00 O ATOM 36 CB ILE A 3 0.903 12.377 9.978 1.00 0.00 C ATOM 37 CG1 ILE A 3 0.707 12.860 11.422 1.00 0.00 C ATOM 38 CG2 ILE A 3 -0.225 12.872 9.086 1.00 0.00 C ATOM 39 CD1 ILE A 3 1.190 11.877 12.476 1.00 0.00 C ATOM 0 H ILE A 3 2.906 11.155 10.769 1.00 0.00 H new ATOM 0 HA ILE A 3 0.304 10.404 10.633 1.00 0.00 H new ATOM 0 HB ILE A 3 1.837 12.793 9.602 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.235 13.805 11.553 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.352 13.061 11.586 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.279 13.959 9.137 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.036 12.566 8.057 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.170 12.446 9.424 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.016 12.293 13.468 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.645 10.938 12.375 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.256 11.694 12.341 1.00 0.00 H new ATOM 51 N LYS A 4 1.465 10.654 7.572 1.00 0.00 N ATOM 52 CA LYS A 4 1.199 10.255 6.203 1.00 0.00 C ATOM 53 C LYS A 4 0.820 8.776 6.125 1.00 0.00 C ATOM 54 O LYS A 4 -0.158 8.413 5.479 1.00 0.00 O ATOM 55 CB LYS A 4 2.410 10.562 5.314 1.00 0.00 C ATOM 56 CG LYS A 4 3.477 9.482 5.309 1.00 0.00 C ATOM 57 CD LYS A 4 4.184 9.381 6.650 1.00 0.00 C ATOM 58 CE LYS A 4 5.473 10.182 6.701 1.00 0.00 C ATOM 59 NZ LYS A 4 5.648 11.099 5.536 1.00 0.00 N ATOM 0 H LYS A 4 2.336 11.169 7.703 1.00 0.00 H new ATOM 0 HA LYS A 4 0.350 10.831 5.836 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.064 10.718 4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.860 11.498 5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.022 8.522 5.065 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.207 9.696 4.528 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.514 9.730 7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.404 8.334 6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.492 10.767 7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.318 9.495 6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.463 11.723 5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.813 10.539 4.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.790 11.675 5.416 1.00 0.00 H new ATOM 73 N SER A 5 1.601 7.938 6.795 1.00 0.00 N ATOM 74 CA SER A 5 1.365 6.502 6.811 1.00 0.00 C ATOM 75 C SER A 5 0.353 6.110 7.883 1.00 0.00 C ATOM 76 O SER A 5 -0.291 5.069 7.796 1.00 0.00 O ATOM 77 CB SER A 5 2.691 5.773 7.006 1.00 0.00 C ATOM 78 OG SER A 5 3.591 6.082 5.958 1.00 0.00 O ATOM 0 H SER A 5 2.411 8.234 7.339 1.00 0.00 H new ATOM 0 HA SER A 5 0.935 6.208 5.854 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.129 6.055 7.963 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.519 4.697 7.039 1.00 0.00 H new ATOM 0 HG SER A 5 4.035 5.262 5.656 1.00 0.00 H new ATOM 84 N GLN A 6 0.244 6.935 8.909 1.00 0.00 N ATOM 85 CA GLN A 6 -0.653 6.686 10.021 1.00 0.00 C ATOM 86 C GLN A 6 -2.060 6.283 9.619 1.00 0.00 C ATOM 87 O GLN A 6 -2.656 5.429 10.269 1.00 0.00 O ATOM 88 CB GLN A 6 -0.716 7.937 10.885 1.00 0.00 C ATOM 89 CG GLN A 6 -0.713 7.647 12.359 1.00 0.00 C ATOM 90 CD GLN A 6 -1.343 8.760 13.164 1.00 0.00 C ATOM 91 OE1 GLN A 6 -0.736 9.299 14.089 1.00 0.00 O ATOM 92 NE2 GLN A 6 -2.571 9.110 12.811 1.00 0.00 N ATOM 0 H GLN A 6 0.778 7.800 8.994 1.00 0.00 H new ATOM 0 HA GLN A 6 -0.244 5.834 10.564 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.134 8.577 10.647 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.617 8.497 10.635 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.251 6.718 12.545 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.313 7.494 12.695 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -3.034 8.634 12.037 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.053 9.855 13.313 1.00 0.00 H new ATOM 101 N THR A 7 -2.611 6.896 8.591 1.00 0.00 N ATOM 102 CA THR A 7 -3.955 6.557 8.197 1.00 0.00 C ATOM 103 C THR A 7 -3.973 5.312 7.360 1.00 0.00 C ATOM 104 O THR A 7 -4.790 4.435 7.587 1.00 0.00 O ATOM 105 CB THR A 7 -4.661 7.697 7.500 1.00 0.00 C ATOM 106 OG1 THR A 7 -3.868 8.871 7.494 1.00 0.00 O ATOM 107 CG2 THR A 7 -5.963 8.005 8.187 1.00 0.00 C ATOM 0 H THR A 7 -2.158 7.615 8.027 1.00 0.00 H new ATOM 0 HA THR A 7 -4.512 6.361 9.113 1.00 0.00 H new ATOM 0 HB THR A 7 -4.842 7.383 6.472 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.351 9.590 7.035 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.460 8.828 7.673 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.604 7.124 8.164 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.770 8.287 9.222 1.00 0.00 H new ATOM 115 N LEU A 8 -3.049 5.199 6.424 1.00 0.00 N ATOM 116 CA LEU A 8 -2.985 3.989 5.631 1.00 0.00 C ATOM 117 C LEU A 8 -2.653 2.851 6.574 1.00 0.00 C ATOM 118 O LEU A 8 -3.106 1.723 6.394 1.00 0.00 O ATOM 119 CB LEU A 8 -1.951 4.074 4.513 1.00 0.00 C ATOM 120 CG LEU A 8 -0.829 5.066 4.753 1.00 0.00 C ATOM 121 CD1 LEU A 8 0.482 4.539 4.202 1.00 0.00 C ATOM 122 CD2 LEU A 8 -1.191 6.405 4.143 1.00 0.00 C ATOM 0 H LEU A 8 -2.352 5.909 6.199 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.945 3.831 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.516 3.086 4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.460 4.341 3.587 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.696 5.203 5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.272 5.267 4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.732 3.600 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.385 4.371 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.382 7.115 4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.345 6.287 3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.107 6.778 4.602 1.00 0.00 H new ATOM 134 N TYR A 9 -1.890 3.182 7.620 1.00 0.00 N ATOM 135 CA TYR A 9 -1.540 2.222 8.630 1.00 0.00 C ATOM 136 C TYR A 9 -2.769 1.898 9.446 1.00 0.00 C ATOM 137 O TYR A 9 -3.239 0.764 9.474 1.00 0.00 O ATOM 138 CB TYR A 9 -0.494 2.791 9.535 1.00 0.00 C ATOM 139 CG TYR A 9 -0.098 1.848 10.628 1.00 0.00 C ATOM 140 CD1 TYR A 9 0.066 0.483 10.390 1.00 0.00 C ATOM 141 CD2 TYR A 9 0.128 2.332 11.900 1.00 0.00 C ATOM 142 CE1 TYR A 9 0.451 -0.362 11.415 1.00 0.00 C ATOM 143 CE2 TYR A 9 0.509 1.499 12.921 1.00 0.00 C ATOM 144 CZ TYR A 9 0.673 0.151 12.679 1.00 0.00 C ATOM 145 OH TYR A 9 1.056 -0.687 13.701 1.00 0.00 O ATOM 0 H TYR A 9 -1.509 4.116 7.775 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.154 1.322 8.152 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.387 3.049 8.947 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.866 3.716 9.976 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.108 0.085 9.401 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.003 3.387 12.096 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.578 -1.418 11.228 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.680 1.897 13.910 1.00 0.00 H new ATOM 0 HH TYR A 9 1.172 -0.168 14.524 1.00 0.00 H new ATOM 155 N LEU A 10 -3.312 2.924 10.093 1.00 0.00 N ATOM 156 CA LEU A 10 -4.519 2.751 10.875 1.00 0.00 C ATOM 157 C LEU A 10 -5.559 2.057 10.017 1.00 0.00 C ATOM 158 O LEU A 10 -6.343 1.240 10.496 1.00 0.00 O ATOM 159 CB LEU A 10 -5.053 4.100 11.349 1.00 0.00 C ATOM 160 CG LEU A 10 -4.575 4.514 12.731 1.00 0.00 C ATOM 161 CD1 LEU A 10 -5.141 5.874 13.109 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.972 3.459 13.756 1.00 0.00 C ATOM 0 H LEU A 10 -2.936 3.872 10.089 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.295 2.147 11.755 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.759 4.866 10.632 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.142 4.066 11.350 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.488 4.595 12.717 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.787 6.152 14.102 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.812 6.619 12.384 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.230 5.827 13.112 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.626 3.763 14.744 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.057 3.354 13.768 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.518 2.504 13.490 1.00 0.00 H new ATOM 174 N ASN A 11 -5.520 2.373 8.727 1.00 0.00 N ATOM 175 CA ASN A 11 -6.421 1.772 7.769 1.00 0.00 C ATOM 176 C ASN A 11 -5.952 0.354 7.467 1.00 0.00 C ATOM 177 O ASN A 11 -6.749 -0.522 7.152 1.00 0.00 O ATOM 178 CB ASN A 11 -6.481 2.589 6.476 1.00 0.00 C ATOM 179 CG ASN A 11 -7.473 3.734 6.552 1.00 0.00 C ATOM 180 OD1 ASN A 11 -8.426 3.797 5.775 1.00 0.00 O ATOM 181 ND2 ASN A 11 -7.256 4.649 7.489 1.00 0.00 N ATOM 0 H ASN A 11 -4.868 3.047 8.326 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.423 1.751 8.197 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.490 2.986 6.256 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.752 1.933 5.649 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.891 5.441 7.585 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.454 4.560 8.113 1.00 0.00 H new ATOM 188 N LEU A 12 -4.636 0.144 7.576 1.00 0.00 N ATOM 189 CA LEU A 12 -4.036 -1.161 7.330 1.00 0.00 C ATOM 190 C LEU A 12 -4.664 -2.212 8.231 1.00 0.00 C ATOM 191 O LEU A 12 -5.101 -3.265 7.770 1.00 0.00 O ATOM 192 CB LEU A 12 -2.517 -1.117 7.530 1.00 0.00 C ATOM 193 CG LEU A 12 -1.706 -1.048 6.234 1.00 0.00 C ATOM 194 CD1 LEU A 12 -0.403 -0.304 6.454 1.00 0.00 C ATOM 195 CD2 LEU A 12 -1.436 -2.444 5.691 1.00 0.00 C ATOM 0 H LEU A 12 -3.967 0.869 7.835 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.229 -1.432 6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.269 -0.252 8.145 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.211 -2.002 8.088 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.294 -0.501 5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.157 -0.267 5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.616 0.711 6.790 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.187 -0.820 7.211 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.858 -2.371 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.874 -3.018 6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.383 -2.944 5.487 1.00 0.00 H new ATOM 207 N SER A 13 -4.716 -1.911 9.520 1.00 0.00 N ATOM 208 CA SER A 13 -5.300 -2.821 10.489 1.00 0.00 C ATOM 209 C SER A 13 -6.795 -2.950 10.271 1.00 0.00 C ATOM 210 O SER A 13 -7.368 -4.032 10.398 1.00 0.00 O ATOM 211 CB SER A 13 -5.023 -2.323 11.906 1.00 0.00 C ATOM 212 OG SER A 13 -5.553 -3.210 12.876 1.00 0.00 O ATOM 0 H SER A 13 -4.360 -1.042 9.918 1.00 0.00 H new ATOM 0 HA SER A 13 -4.845 -3.803 10.357 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.948 -2.219 12.054 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.460 -1.333 12.038 1.00 0.00 H new ATOM 0 HG SER A 13 -5.360 -2.867 13.773 1.00 0.00 H new ATOM 218 N GLU A 14 -7.420 -1.836 9.938 1.00 0.00 N ATOM 219 CA GLU A 14 -8.849 -1.812 9.694 1.00 0.00 C ATOM 220 C GLU A 14 -9.185 -2.498 8.378 1.00 0.00 C ATOM 221 O GLU A 14 -10.264 -3.068 8.215 1.00 0.00 O ATOM 222 CB GLU A 14 -9.368 -0.380 9.687 1.00 0.00 C ATOM 223 CG GLU A 14 -8.912 0.444 10.883 1.00 0.00 C ATOM 224 CD GLU A 14 -10.047 0.764 11.836 1.00 0.00 C ATOM 225 OE1 GLU A 14 -11.070 0.050 11.802 1.00 0.00 O ATOM 226 OE2 GLU A 14 -9.912 1.730 12.617 1.00 0.00 O ATOM 0 H GLU A 14 -6.958 -0.933 9.830 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.338 -2.357 10.502 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.038 0.112 8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.458 -0.398 9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.134 -0.100 11.419 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.465 1.374 10.530 1.00 0.00 H new ATOM 233 N ALA A 15 -8.244 -2.460 7.453 1.00 0.00 N ATOM 234 CA ALA A 15 -8.424 -3.104 6.162 1.00 0.00 C ATOM 235 C ALA A 15 -8.183 -4.575 6.291 1.00 0.00 C ATOM 236 O ALA A 15 -8.949 -5.406 5.816 1.00 0.00 O ATOM 237 CB ALA A 15 -7.494 -2.543 5.133 1.00 0.00 C ATOM 0 H ALA A 15 -7.346 -1.990 7.570 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.448 -2.917 5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.657 -3.048 4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.683 -1.476 5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.463 -2.695 5.453 1.00 0.00 H new ATOM 243 N TYR A 16 -7.092 -4.891 6.955 1.00 0.00 N ATOM 244 CA TYR A 16 -6.727 -6.257 7.181 1.00 0.00 C ATOM 245 C TYR A 16 -7.877 -6.957 7.888 1.00 0.00 C ATOM 246 O TYR A 16 -8.140 -8.139 7.669 1.00 0.00 O ATOM 247 CB TYR A 16 -5.456 -6.293 8.004 1.00 0.00 C ATOM 248 CG TYR A 16 -5.434 -7.426 8.954 1.00 0.00 C ATOM 249 CD1 TYR A 16 -5.386 -8.707 8.475 1.00 0.00 C ATOM 250 CD2 TYR A 16 -5.477 -7.209 10.307 1.00 0.00 C ATOM 251 CE1 TYR A 16 -5.374 -9.786 9.314 1.00 0.00 C ATOM 252 CE2 TYR A 16 -5.464 -8.280 11.187 1.00 0.00 C ATOM 253 CZ TYR A 16 -5.412 -9.575 10.683 1.00 0.00 C ATOM 254 OH TYR A 16 -5.400 -10.647 11.544 1.00 0.00 O ATOM 0 H TYR A 16 -6.443 -4.208 7.347 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.537 -6.776 6.242 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.596 -6.364 7.338 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.356 -5.358 8.555 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.357 -8.869 7.408 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.521 -6.200 10.689 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.335 -10.789 8.915 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.494 -8.110 12.253 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.430 -10.324 12.469 1.00 0.00 H new ATOM 264 N LYS A 17 -8.587 -6.186 8.700 1.00 0.00 N ATOM 265 CA LYS A 17 -9.744 -6.688 9.399 1.00 0.00 C ATOM 266 C LYS A 17 -10.995 -6.420 8.562 1.00 0.00 C ATOM 267 O LYS A 17 -12.118 -6.487 9.062 1.00 0.00 O ATOM 268 CB LYS A 17 -9.864 -6.067 10.800 1.00 0.00 C ATOM 269 CG LYS A 17 -10.409 -4.648 10.813 1.00 0.00 C ATOM 270 CD LYS A 17 -10.020 -3.908 12.085 1.00 0.00 C ATOM 271 CE LYS A 17 -11.189 -3.124 12.660 1.00 0.00 C ATOM 272 NZ LYS A 17 -11.468 -3.502 14.073 1.00 0.00 N ATOM 0 H LYS A 17 -8.374 -5.206 8.886 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.635 -7.763 9.539 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.511 -6.698 11.409 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.881 -6.070 11.271 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.032 -4.105 9.946 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.495 -4.674 10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.661 -4.622 12.826 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.195 -3.228 11.872 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.973 -2.057 12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.078 -3.301 12.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.271 -2.946 14.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.699 -4.515 14.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.629 -3.310 14.656 1.00 0.00 H new ATOM 286 N ASP A 18 -10.786 -6.149 7.263 1.00 0.00 N ATOM 287 CA ASP A 18 -11.889 -5.912 6.348 1.00 0.00 C ATOM 288 C ASP A 18 -12.476 -7.258 5.935 1.00 0.00 C ATOM 289 O ASP A 18 -11.747 -8.140 5.487 1.00 0.00 O ATOM 290 CB ASP A 18 -11.449 -5.146 5.105 1.00 0.00 C ATOM 291 CG ASP A 18 -12.611 -4.459 4.415 1.00 0.00 C ATOM 292 OD1 ASP A 18 -13.516 -5.168 3.927 1.00 0.00 O ATOM 293 OD2 ASP A 18 -12.617 -3.210 4.363 1.00 0.00 O ATOM 0 H ASP A 18 -9.862 -6.091 6.834 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.633 -5.302 6.860 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.703 -4.402 5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.969 -5.833 4.408 1.00 0.00 H new ATOM 298 N PRO A 19 -13.786 -7.448 6.101 1.00 0.00 N ATOM 299 CA PRO A 19 -14.461 -8.711 5.771 1.00 0.00 C ATOM 300 C PRO A 19 -14.035 -9.332 4.441 1.00 0.00 C ATOM 301 O PRO A 19 -13.989 -10.556 4.317 1.00 0.00 O ATOM 302 CB PRO A 19 -15.921 -8.301 5.738 1.00 0.00 C ATOM 303 CG PRO A 19 -16.005 -7.235 6.768 1.00 0.00 C ATOM 304 CD PRO A 19 -14.727 -6.458 6.653 1.00 0.00 C ATOM 0 HA PRO A 19 -14.219 -9.492 6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.212 -7.933 4.754 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.578 -9.138 5.972 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.870 -6.594 6.598 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.116 -7.662 7.765 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.837 -5.595 5.996 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.395 -6.081 7.621 1.00 0.00 H new ATOM 312 N GLU A 20 -13.723 -8.505 3.447 1.00 0.00 N ATOM 313 CA GLU A 20 -13.305 -9.026 2.151 1.00 0.00 C ATOM 314 C GLU A 20 -11.791 -9.103 2.046 1.00 0.00 C ATOM 315 O GLU A 20 -11.221 -9.303 0.972 1.00 0.00 O ATOM 316 CB GLU A 20 -13.861 -8.171 1.039 1.00 0.00 C ATOM 317 CG GLU A 20 -15.331 -8.432 0.793 1.00 0.00 C ATOM 318 CD GLU A 20 -15.895 -7.601 -0.342 1.00 0.00 C ATOM 319 OE1 GLU A 20 -15.209 -7.464 -1.376 1.00 0.00 O ATOM 320 OE2 GLU A 20 -17.023 -7.086 -0.197 1.00 0.00 O ATOM 0 H GLU A 20 -13.751 -7.487 3.512 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.700 -10.037 2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.718 -7.119 1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.302 -8.362 0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.475 -9.489 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.890 -8.220 1.704 1.00 0.00 H new ATOM 327 N VAL A 21 -11.177 -9.024 3.198 1.00 0.00 N ATOM 328 CA VAL A 21 -9.745 -9.161 3.359 1.00 0.00 C ATOM 329 C VAL A 21 -9.528 -10.383 4.238 1.00 0.00 C ATOM 330 O VAL A 21 -8.580 -11.148 4.058 1.00 0.00 O ATOM 331 CB VAL A 21 -9.107 -7.916 4.000 1.00 0.00 C ATOM 332 CG1 VAL A 21 -7.642 -8.167 4.335 1.00 0.00 C ATOM 333 CG2 VAL A 21 -9.251 -6.713 3.079 1.00 0.00 C ATOM 0 H VAL A 21 -11.669 -8.858 4.076 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.269 -9.272 2.385 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.632 -7.703 4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.214 -7.272 4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.566 -8.999 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.097 -8.410 3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.795 -5.840 3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.753 -6.919 2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.308 -6.517 2.899 1.00 0.00 H new ATOM 343 N LYS A 22 -10.482 -10.584 5.154 1.00 0.00 N ATOM 344 CA LYS A 22 -10.496 -11.728 6.034 1.00 0.00 C ATOM 345 C LYS A 22 -10.578 -12.977 5.184 1.00 0.00 C ATOM 346 O LYS A 22 -9.912 -13.981 5.440 1.00 0.00 O ATOM 347 CB LYS A 22 -11.730 -11.665 6.941 1.00 0.00 C ATOM 348 CG LYS A 22 -12.027 -10.295 7.503 1.00 0.00 C ATOM 349 CD LYS A 22 -10.791 -9.631 8.079 1.00 0.00 C ATOM 350 CE LYS A 22 -10.473 -10.146 9.475 1.00 0.00 C ATOM 351 NZ LYS A 22 -10.251 -11.618 9.492 1.00 0.00 N ATOM 0 H LYS A 22 -11.265 -9.946 5.296 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.596 -11.737 6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.597 -12.008 6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.593 -12.361 7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.443 -9.664 6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.787 -10.380 8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.941 -9.813 7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.941 -8.552 8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.584 -9.641 9.853 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.293 -9.896 10.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.663 -11.871 10.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.167 -12.106 9.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.768 -11.906 8.617 1.00 0.00 H new ATOM 365 N ALA A 23 -11.407 -12.881 4.150 1.00 0.00 N ATOM 366 CA ALA A 23 -11.596 -13.976 3.219 1.00 0.00 C ATOM 367 C ALA A 23 -10.348 -14.157 2.374 1.00 0.00 C ATOM 368 O ALA A 23 -10.097 -15.235 1.834 1.00 0.00 O ATOM 369 CB ALA A 23 -12.807 -13.723 2.335 1.00 0.00 C ATOM 0 H ALA A 23 -11.959 -12.050 3.939 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.774 -14.891 3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.933 -14.556 1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.698 -13.630 2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.660 -12.802 1.771 1.00 0.00 H new ATOM 375 N ASN A 24 -9.563 -13.088 2.274 1.00 0.00 N ATOM 376 CA ASN A 24 -8.338 -13.115 1.511 1.00 0.00 C ATOM 377 C ASN A 24 -7.132 -13.119 2.443 1.00 0.00 C ATOM 378 O ASN A 24 -6.528 -12.080 2.708 1.00 0.00 O ATOM 379 CB ASN A 24 -8.284 -11.930 0.547 1.00 0.00 C ATOM 380 CG ASN A 24 -7.196 -12.084 -0.499 1.00 0.00 C ATOM 381 OD1 ASN A 24 -6.020 -12.233 -0.171 1.00 0.00 O ATOM 382 ND2 ASN A 24 -7.586 -12.048 -1.768 1.00 0.00 N ATOM 0 H ASN A 24 -9.763 -12.192 2.718 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.312 -14.031 0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.249 -11.825 0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.114 -11.013 1.112 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.899 -12.146 -2.516 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.572 -11.922 -1.995 1.00 0.00 H new ATOM 389 N GLU A 25 -6.801 -14.306 2.945 1.00 0.00 N ATOM 390 CA GLU A 25 -5.681 -14.476 3.865 1.00 0.00 C ATOM 391 C GLU A 25 -4.407 -13.841 3.327 1.00 0.00 C ATOM 392 O GLU A 25 -3.586 -13.332 4.088 1.00 0.00 O ATOM 393 CB GLU A 25 -5.446 -15.965 4.137 1.00 0.00 C ATOM 394 CG GLU A 25 -5.480 -16.326 5.612 1.00 0.00 C ATOM 395 CD GLU A 25 -6.176 -17.648 5.872 1.00 0.00 C ATOM 396 OE1 GLU A 25 -6.169 -18.511 4.968 1.00 0.00 O ATOM 397 OE2 GLU A 25 -6.727 -17.821 6.979 1.00 0.00 O ATOM 0 H GLU A 25 -7.297 -15.170 2.728 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.939 -13.970 4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.204 -16.546 3.612 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.480 -16.253 3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.460 -16.375 5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.990 -15.536 6.164 1.00 0.00 H new ATOM 404 N PHE A 26 -4.250 -13.868 2.015 1.00 0.00 N ATOM 405 CA PHE A 26 -3.074 -13.290 1.387 1.00 0.00 C ATOM 406 C PHE A 26 -3.097 -11.775 1.526 1.00 0.00 C ATOM 407 O PHE A 26 -2.064 -11.139 1.735 1.00 0.00 O ATOM 408 CB PHE A 26 -3.004 -13.685 -0.089 1.00 0.00 C ATOM 409 CG PHE A 26 -1.731 -13.259 -0.766 1.00 0.00 C ATOM 410 CD1 PHE A 26 -1.525 -11.932 -1.108 1.00 0.00 C ATOM 411 CD2 PHE A 26 -0.744 -14.186 -1.059 1.00 0.00 C ATOM 412 CE1 PHE A 26 -0.356 -11.538 -1.731 1.00 0.00 C ATOM 413 CE2 PHE A 26 0.427 -13.797 -1.682 1.00 0.00 C ATOM 414 CZ PHE A 26 0.621 -12.472 -2.019 1.00 0.00 C ATOM 0 H PHE A 26 -4.919 -14.282 1.366 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.187 -13.677 1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.105 -14.767 -0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.851 -13.244 -0.615 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.286 -11.198 -0.885 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.891 -15.224 -0.798 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.206 -10.501 -1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.189 -14.529 -1.905 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.535 -12.166 -2.507 1.00 0.00 H new ATOM 424 N LEU A 27 -4.291 -11.210 1.415 1.00 0.00 N ATOM 425 CA LEU A 27 -4.477 -9.774 1.533 1.00 0.00 C ATOM 426 C LEU A 27 -4.296 -9.319 2.971 1.00 0.00 C ATOM 427 O LEU A 27 -3.510 -8.413 3.243 1.00 0.00 O ATOM 428 CB LEU A 27 -5.865 -9.386 1.039 1.00 0.00 C ATOM 429 CG LEU A 27 -5.887 -8.702 -0.321 1.00 0.00 C ATOM 430 CD1 LEU A 27 -7.243 -8.879 -0.983 1.00 0.00 C ATOM 431 CD2 LEU A 27 -5.542 -7.231 -0.169 1.00 0.00 C ATOM 0 H LEU A 27 -5.151 -11.731 1.242 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.723 -9.281 0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.482 -10.283 0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.325 -8.723 1.772 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.138 -9.166 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.241 -8.384 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.446 -9.941 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.016 -8.439 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.560 -6.750 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.271 -6.752 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.547 -7.134 0.265 1.00 0.00 H new ATOM 443 N SER A 28 -5.019 -9.946 3.895 1.00 0.00 N ATOM 444 CA SER A 28 -4.916 -9.585 5.284 1.00 0.00 C ATOM 445 C SER A 28 -3.501 -9.805 5.786 1.00 0.00 C ATOM 446 O SER A 28 -2.864 -8.887 6.292 1.00 0.00 O ATOM 447 CB SER A 28 -5.930 -10.381 6.101 1.00 0.00 C ATOM 448 OG SER A 28 -6.472 -11.453 5.348 1.00 0.00 O ATOM 0 H SER A 28 -5.676 -10.701 3.697 1.00 0.00 H new ATOM 0 HA SER A 28 -5.143 -8.525 5.399 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.451 -10.771 6.999 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.734 -9.722 6.429 1.00 0.00 H new ATOM 0 HG SER A 28 -7.147 -11.108 4.726 1.00 0.00 H new ATOM 454 N LYS A 29 -3.008 -11.019 5.613 1.00 0.00 N ATOM 455 CA LYS A 29 -1.650 -11.362 6.028 1.00 0.00 C ATOM 456 C LYS A 29 -0.653 -10.335 5.511 1.00 0.00 C ATOM 457 O LYS A 29 0.222 -9.884 6.248 1.00 0.00 O ATOM 458 CB LYS A 29 -1.264 -12.752 5.522 1.00 0.00 C ATOM 459 CG LYS A 29 -2.025 -13.883 6.192 1.00 0.00 C ATOM 460 CD LYS A 29 -1.934 -15.165 5.381 1.00 0.00 C ATOM 461 CE LYS A 29 -1.079 -16.206 6.082 1.00 0.00 C ATOM 462 NZ LYS A 29 -0.391 -17.106 5.115 1.00 0.00 N ATOM 0 H LYS A 29 -3.525 -11.788 5.188 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.625 -11.362 7.118 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.437 -12.798 4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.196 -12.902 5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.624 -14.053 7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.071 -13.600 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.935 -15.565 5.217 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.513 -14.947 4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.336 -15.706 6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.705 -16.800 6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.182 -17.801 5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.100 -17.603 4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.226 -16.543 4.495 1.00 0.00 H new ATOM 476 N LEU A 30 -0.796 -9.955 4.246 1.00 0.00 N ATOM 477 CA LEU A 30 0.092 -8.969 3.665 1.00 0.00 C ATOM 478 C LEU A 30 -0.145 -7.629 4.330 1.00 0.00 C ATOM 479 O LEU A 30 0.794 -6.949 4.732 1.00 0.00 O ATOM 480 CB LEU A 30 -0.120 -8.863 2.154 1.00 0.00 C ATOM 481 CG LEU A 30 0.685 -9.853 1.304 1.00 0.00 C ATOM 482 CD1 LEU A 30 0.885 -9.302 -0.098 1.00 0.00 C ATOM 483 CD2 LEU A 30 2.030 -10.159 1.951 1.00 0.00 C ATOM 0 H LEU A 30 -1.512 -10.313 3.614 1.00 0.00 H new ATOM 0 HA LEU A 30 1.123 -9.279 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.180 -9.007 1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.133 -7.851 1.839 1.00 0.00 H new ATOM 0 HG LEU A 30 0.121 -10.784 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.458 -10.015 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.085 -9.138 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.426 -8.357 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.581 -10.864 1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.603 -9.238 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.869 -10.595 2.937 1.00 0.00 H new ATOM 495 N VAL A 31 -1.413 -7.281 4.481 1.00 0.00 N ATOM 496 CA VAL A 31 -1.791 -6.041 5.138 1.00 0.00 C ATOM 497 C VAL A 31 -1.271 -6.053 6.573 1.00 0.00 C ATOM 498 O VAL A 31 -0.974 -5.010 7.155 1.00 0.00 O ATOM 499 CB VAL A 31 -3.324 -5.867 5.125 1.00 0.00 C ATOM 500 CG1 VAL A 31 -3.755 -4.651 5.926 1.00 0.00 C ATOM 501 CG2 VAL A 31 -3.829 -5.769 3.693 1.00 0.00 C ATOM 0 H VAL A 31 -2.200 -7.842 4.156 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.350 -5.202 4.600 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.765 -6.745 5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.841 -4.561 5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.430 -4.763 6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.304 -3.755 5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.912 -5.646 3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.368 -4.911 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.569 -6.679 3.152 1.00 0.00 H new ATOM 511 N VAL A 32 -1.140 -7.259 7.120 1.00 0.00 N ATOM 512 CA VAL A 32 -0.630 -7.450 8.468 1.00 0.00 C ATOM 513 C VAL A 32 0.872 -7.244 8.490 1.00 0.00 C ATOM 514 O VAL A 32 1.381 -6.296 9.088 1.00 0.00 O ATOM 515 CB VAL A 32 -0.942 -8.863 8.980 1.00 0.00 C ATOM 516 CG1 VAL A 32 -0.477 -9.032 10.418 1.00 0.00 C ATOM 517 CG2 VAL A 32 -2.427 -9.167 8.845 1.00 0.00 C ATOM 0 H VAL A 32 -1.384 -8.126 6.641 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.118 -6.720 9.115 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.394 -9.578 8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.709 -10.041 10.759 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.599 -8.868 10.474 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.988 -8.308 11.053 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.627 -10.173 9.213 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.000 -8.446 9.428 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.718 -9.100 7.797 1.00 0.00 H new ATOM 527 N GLN A 33 1.575 -8.141 7.814 1.00 0.00 N ATOM 528 CA GLN A 33 3.027 -8.071 7.726 1.00 0.00 C ATOM 529 C GLN A 33 3.440 -6.684 7.261 1.00 0.00 C ATOM 530 O GLN A 33 4.376 -6.088 7.787 1.00 0.00 O ATOM 531 CB GLN A 33 3.564 -9.177 6.793 1.00 0.00 C ATOM 532 CG GLN A 33 4.252 -8.694 5.515 1.00 0.00 C ATOM 533 CD GLN A 33 5.630 -9.303 5.332 1.00 0.00 C ATOM 534 OE1 GLN A 33 5.974 -9.775 4.248 1.00 0.00 O ATOM 535 NE2 GLN A 33 6.427 -9.296 6.395 1.00 0.00 N ATOM 0 H GLN A 33 1.161 -8.929 7.316 1.00 0.00 H new ATOM 0 HA GLN A 33 3.464 -8.242 8.710 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.270 -9.788 7.355 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.733 -9.825 6.513 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.631 -8.944 4.655 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.339 -7.608 5.541 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.101 -8.894 7.274 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.365 -9.692 6.332 1.00 0.00 H new ATOM 544 N CYS A 34 2.704 -6.175 6.284 1.00 0.00 N ATOM 545 CA CYS A 34 2.959 -4.848 5.750 1.00 0.00 C ATOM 546 C CYS A 34 2.751 -3.808 6.839 1.00 0.00 C ATOM 547 O CYS A 34 3.516 -2.854 6.956 1.00 0.00 O ATOM 548 CB CYS A 34 2.037 -4.551 4.564 1.00 0.00 C ATOM 549 SG CYS A 34 2.514 -5.380 3.030 1.00 0.00 S ATOM 0 H CYS A 34 1.924 -6.663 5.845 1.00 0.00 H new ATOM 0 HA CYS A 34 3.991 -4.808 5.401 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.021 -4.849 4.824 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.020 -3.475 4.392 1.00 0.00 H new ATOM 0 HG CYS A 34 1.974 -6.562 2.990 1.00 0.00 H new ATOM 555 N ALA A 35 1.712 -4.010 7.647 1.00 0.00 N ATOM 556 CA ALA A 35 1.413 -3.091 8.736 1.00 0.00 C ATOM 557 C ALA A 35 2.572 -3.030 9.722 1.00 0.00 C ATOM 558 O ALA A 35 2.744 -2.043 10.438 1.00 0.00 O ATOM 559 CB ALA A 35 0.130 -3.501 9.443 1.00 0.00 C ATOM 0 H ALA A 35 1.069 -4.797 7.567 1.00 0.00 H new ATOM 0 HA ALA A 35 1.271 -2.096 8.315 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.078 -2.803 10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.697 -3.489 8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.244 -4.506 9.850 1.00 0.00 H new ATOM 565 N GLY A 36 3.369 -4.090 9.745 1.00 0.00 N ATOM 566 CA GLY A 36 4.511 -4.143 10.634 1.00 0.00 C ATOM 567 C GLY A 36 5.718 -3.447 10.047 1.00 0.00 C ATOM 568 O GLY A 36 6.553 -2.917 10.780 1.00 0.00 O ATOM 0 H GLY A 36 3.243 -4.917 9.161 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.252 -3.679 11.585 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.759 -5.183 10.844 1.00 0.00 H new ATOM 572 N LYS A 37 5.800 -3.425 8.721 1.00 0.00 N ATOM 573 CA LYS A 37 6.899 -2.761 8.050 1.00 0.00 C ATOM 574 C LYS A 37 6.634 -1.265 7.996 1.00 0.00 C ATOM 575 O LYS A 37 7.531 -0.469 7.724 1.00 0.00 O ATOM 576 CB LYS A 37 7.090 -3.315 6.637 1.00 0.00 C ATOM 577 CG LYS A 37 6.953 -4.827 6.541 1.00 0.00 C ATOM 578 CD LYS A 37 7.822 -5.539 7.568 1.00 0.00 C ATOM 579 CE LYS A 37 6.986 -6.351 8.544 1.00 0.00 C ATOM 580 NZ LYS A 37 7.831 -7.075 9.533 1.00 0.00 N ATOM 0 H LYS A 37 5.120 -3.859 8.097 1.00 0.00 H new ATOM 0 HA LYS A 37 7.814 -2.946 8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.359 -2.852 5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.077 -3.026 6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.910 -5.108 6.690 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.232 -5.154 5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.526 -6.196 7.057 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.412 -4.805 8.117 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.298 -5.689 9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.379 -7.068 7.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.222 -7.616 10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.470 -7.726 9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.392 -6.390 10.078 1.00 0.00 H new ATOM 594 N LEU A 38 5.381 -0.895 8.256 1.00 0.00 N ATOM 595 CA LEU A 38 4.971 0.489 8.240 1.00 0.00 C ATOM 596 C LEU A 38 5.183 1.137 9.598 1.00 0.00 C ATOM 597 O LEU A 38 5.498 2.320 9.677 1.00 0.00 O ATOM 598 CB LEU A 38 3.503 0.569 7.841 1.00 0.00 C ATOM 599 CG LEU A 38 3.255 0.809 6.361 1.00 0.00 C ATOM 600 CD1 LEU A 38 3.046 -0.520 5.654 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.067 1.751 6.169 1.00 0.00 C ATOM 0 H LEU A 38 4.632 -1.550 8.481 1.00 0.00 H new ATOM 0 HA LEU A 38 5.580 1.030 7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.011 -0.360 8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.030 1.371 8.409 1.00 0.00 H new ATOM 0 HG LEU A 38 4.126 1.291 5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.868 -0.344 4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.934 -1.140 5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.185 -1.031 6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.901 1.914 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.175 1.307 6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.277 2.704 6.654 1.00 0.00 H new ATOM 613 N THR A 39 4.989 0.366 10.673 1.00 0.00 N ATOM 614 CA THR A 39 5.152 0.899 12.027 1.00 0.00 C ATOM 615 C THR A 39 6.445 1.692 12.139 1.00 0.00 C ATOM 616 O THR A 39 6.544 2.630 12.931 1.00 0.00 O ATOM 617 CB THR A 39 5.085 -0.209 13.071 1.00 0.00 C ATOM 618 OG1 THR A 39 4.995 -1.485 12.462 1.00 0.00 O ATOM 619 CG2 THR A 39 3.905 -0.045 13.995 1.00 0.00 C ATOM 0 H THR A 39 4.722 -0.618 10.632 1.00 0.00 H new ATOM 0 HA THR A 39 4.323 1.579 12.225 1.00 0.00 H new ATOM 0 HB THR A 39 6.007 -0.135 13.648 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.794 -1.644 11.917 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.897 -0.857 14.723 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.981 0.909 14.517 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.983 -0.069 13.415 1.00 0.00 H new ATOM 627 N ALA A 40 7.415 1.343 11.305 1.00 0.00 N ATOM 628 CA ALA A 40 8.676 2.054 11.275 1.00 0.00 C ATOM 629 C ALA A 40 8.668 3.069 10.142 1.00 0.00 C ATOM 630 O ALA A 40 9.703 3.342 9.533 1.00 0.00 O ATOM 631 CB ALA A 40 9.853 1.110 11.105 1.00 0.00 C ATOM 0 H ALA A 40 7.348 0.571 10.642 1.00 0.00 H new ATOM 0 HA ALA A 40 8.792 2.564 12.232 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.780 1.683 11.087 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.878 0.406 11.937 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.748 0.562 10.169 1.00 0.00 H new ATOM 637 N SER A 41 7.491 3.621 9.849 1.00 0.00 N ATOM 638 CA SER A 41 7.353 4.592 8.775 1.00 0.00 C ATOM 639 C SER A 41 8.387 5.700 8.913 1.00 0.00 C ATOM 640 O SER A 41 8.756 6.338 7.927 1.00 0.00 O ATOM 641 CB SER A 41 5.937 5.165 8.755 1.00 0.00 C ATOM 642 OG SER A 41 5.824 6.216 7.811 1.00 0.00 O ATOM 0 H SER A 41 6.623 3.410 10.342 1.00 0.00 H new ATOM 0 HA SER A 41 7.530 4.086 7.826 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.226 4.376 8.512 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.677 5.534 9.747 1.00 0.00 H new ATOM 0 HG SER A 41 5.131 5.993 7.155 1.00 0.00 H new ATOM 648 N ASN A 42 8.898 5.892 10.130 1.00 0.00 N ATOM 649 CA ASN A 42 9.939 6.884 10.359 1.00 0.00 C ATOM 650 C ASN A 42 11.058 6.662 9.346 1.00 0.00 C ATOM 651 O ASN A 42 11.754 7.594 8.943 1.00 0.00 O ATOM 652 CB ASN A 42 10.480 6.759 11.783 1.00 0.00 C ATOM 653 CG ASN A 42 11.584 7.758 12.075 1.00 0.00 C ATOM 654 OD1 ASN A 42 12.631 7.402 12.616 1.00 0.00 O ATOM 655 ND2 ASN A 42 11.354 9.016 11.717 1.00 0.00 N ATOM 0 H ASN A 42 8.609 5.377 10.962 1.00 0.00 H new ATOM 0 HA ASN A 42 9.528 7.886 10.237 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.665 6.905 12.492 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.859 5.749 11.937 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.060 9.732 11.888 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.471 9.266 11.271 1.00 0.00 H new ATOM 662 N SER A 43 11.179 5.407 8.906 1.00 0.00 N ATOM 663 CA SER A 43 12.141 5.018 7.915 1.00 0.00 C ATOM 664 C SER A 43 11.446 5.020 6.566 1.00 0.00 C ATOM 665 O SER A 43 11.094 3.966 6.036 1.00 0.00 O ATOM 666 CB SER A 43 12.702 3.628 8.223 1.00 0.00 C ATOM 667 OG SER A 43 13.343 3.604 9.487 1.00 0.00 O ATOM 0 H SER A 43 10.599 4.638 9.241 1.00 0.00 H new ATOM 0 HA SER A 43 12.978 5.716 7.912 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.895 2.895 8.207 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.411 3.339 7.447 1.00 0.00 H new ATOM 0 HG SER A 43 13.691 2.704 9.660 1.00 0.00 H new ATOM 673 N GLU A 44 11.217 6.214 6.027 1.00 0.00 N ATOM 674 CA GLU A 44 10.524 6.346 4.754 1.00 0.00 C ATOM 675 C GLU A 44 11.239 5.561 3.677 1.00 0.00 C ATOM 676 O GLU A 44 10.639 5.145 2.695 1.00 0.00 O ATOM 677 CB GLU A 44 10.424 7.819 4.354 1.00 0.00 C ATOM 678 CG GLU A 44 11.670 8.379 3.680 1.00 0.00 C ATOM 679 CD GLU A 44 12.158 9.660 4.328 1.00 0.00 C ATOM 680 OE1 GLU A 44 11.848 9.881 5.517 1.00 0.00 O ATOM 681 OE2 GLU A 44 12.854 10.443 3.646 1.00 0.00 O ATOM 0 H GLU A 44 11.500 7.098 6.450 1.00 0.00 H new ATOM 0 HA GLU A 44 9.517 5.944 4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.576 7.942 3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.212 8.410 5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.464 7.633 3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.456 8.567 2.628 1.00 0.00 H new ATOM 688 N ASN A 45 12.517 5.339 3.889 1.00 0.00 N ATOM 689 CA ASN A 45 13.314 4.572 2.944 1.00 0.00 C ATOM 690 C ASN A 45 12.903 3.112 3.009 1.00 0.00 C ATOM 691 O ASN A 45 12.816 2.411 1.998 1.00 0.00 O ATOM 692 CB ASN A 45 14.807 4.723 3.245 1.00 0.00 C ATOM 693 CG ASN A 45 15.606 5.124 2.021 1.00 0.00 C ATOM 694 OD1 ASN A 45 15.940 6.295 1.839 1.00 0.00 O ATOM 695 ND2 ASN A 45 15.916 4.151 1.172 1.00 0.00 N ATOM 0 H ASN A 45 13.030 5.676 4.704 1.00 0.00 H new ATOM 0 HA ASN A 45 13.136 4.952 1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 45 14.943 5.471 4.026 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.193 3.781 3.635 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.452 4.361 0.330 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.619 3.194 1.362 1.00 0.00 H new ATOM 702 N SER A 46 12.620 2.686 4.219 1.00 0.00 N ATOM 703 CA SER A 46 12.177 1.337 4.488 1.00 0.00 C ATOM 704 C SER A 46 10.691 1.219 4.201 1.00 0.00 C ATOM 705 O SER A 46 10.191 0.160 3.824 1.00 0.00 O ATOM 706 CB SER A 46 12.474 0.978 5.939 1.00 0.00 C ATOM 707 OG SER A 46 11.752 -0.172 6.344 1.00 0.00 O ATOM 0 H SER A 46 12.691 3.271 5.051 1.00 0.00 H new ATOM 0 HA SER A 46 12.712 0.642 3.841 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.543 0.800 6.060 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.215 1.818 6.584 1.00 0.00 H new ATOM 0 HG SER A 46 11.964 -0.379 7.278 1.00 0.00 H new ATOM 713 N TYR A 47 10.006 2.346 4.350 1.00 0.00 N ATOM 714 CA TYR A 47 8.604 2.438 4.084 1.00 0.00 C ATOM 715 C TYR A 47 8.436 2.639 2.591 1.00 0.00 C ATOM 716 O TYR A 47 7.372 2.408 2.052 1.00 0.00 O ATOM 717 CB TYR A 47 7.980 3.573 4.916 1.00 0.00 C ATOM 718 CG TYR A 47 6.938 4.384 4.187 1.00 0.00 C ATOM 719 CD1 TYR A 47 7.314 5.274 3.201 1.00 0.00 C ATOM 720 CD2 TYR A 47 5.586 4.242 4.470 1.00 0.00 C ATOM 721 CE1 TYR A 47 6.370 6.005 2.503 1.00 0.00 C ATOM 722 CE2 TYR A 47 4.635 4.968 3.785 1.00 0.00 C ATOM 723 CZ TYR A 47 5.029 5.845 2.802 1.00 0.00 C ATOM 724 OH TYR A 47 4.078 6.554 2.106 1.00 0.00 O ATOM 0 H TYR A 47 10.426 3.221 4.662 1.00 0.00 H new ATOM 0 HA TYR A 47 8.080 1.528 4.376 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.528 3.144 5.810 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.774 4.241 5.249 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.362 5.401 2.971 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.274 3.551 5.240 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.677 6.695 1.731 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.587 4.849 4.019 1.00 0.00 H new ATOM 0 HH TYR A 47 3.187 6.322 2.441 1.00 0.00 H new ATOM 734 N ILE A 48 9.539 3.059 1.948 1.00 0.00 N ATOM 735 CA ILE A 48 9.604 3.289 0.508 1.00 0.00 C ATOM 736 C ILE A 48 9.565 1.956 -0.206 1.00 0.00 C ATOM 737 O ILE A 48 8.853 1.773 -1.191 1.00 0.00 O ATOM 738 CB ILE A 48 10.922 4.048 0.139 1.00 0.00 C ATOM 739 CG1 ILE A 48 10.723 5.566 0.120 1.00 0.00 C ATOM 740 CG2 ILE A 48 11.515 3.593 -1.195 1.00 0.00 C ATOM 741 CD1 ILE A 48 9.331 6.017 0.477 1.00 0.00 C ATOM 0 H ILE A 48 10.419 3.249 2.427 1.00 0.00 H new ATOM 0 HA ILE A 48 8.754 3.899 0.201 1.00 0.00 H new ATOM 0 HB ILE A 48 11.631 3.794 0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.428 6.021 0.815 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.969 5.940 -0.874 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.427 4.154 -1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.747 2.529 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.794 3.771 -1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.280 7.105 0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.619 5.595 -0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.085 5.678 1.483 1.00 0.00 H new ATOM 753 N GLU A 49 10.327 1.018 0.318 1.00 0.00 N ATOM 754 CA GLU A 49 10.369 -0.305 -0.256 1.00 0.00 C ATOM 755 C GLU A 49 9.043 -0.961 -0.015 1.00 0.00 C ATOM 756 O GLU A 49 8.407 -1.452 -0.944 1.00 0.00 O ATOM 757 CB GLU A 49 11.515 -1.129 0.338 1.00 0.00 C ATOM 758 CG GLU A 49 12.726 -0.295 0.728 1.00 0.00 C ATOM 759 CD GLU A 49 14.029 -0.894 0.239 1.00 0.00 C ATOM 760 OE1 GLU A 49 14.309 -0.795 -0.974 1.00 0.00 O ATOM 761 OE2 GLU A 49 14.771 -1.461 1.068 1.00 0.00 O ATOM 0 H GLU A 49 10.922 1.149 1.136 1.00 0.00 H new ATOM 0 HA GLU A 49 10.556 -0.238 -1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.152 -1.660 1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.822 -1.884 -0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.617 0.710 0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.760 -0.197 1.813 1.00 0.00 H new ATOM 768 N VAL A 50 8.597 -0.907 1.227 1.00 0.00 N ATOM 769 CA VAL A 50 7.306 -1.446 1.561 1.00 0.00 C ATOM 770 C VAL A 50 6.241 -0.615 0.869 1.00 0.00 C ATOM 771 O VAL A 50 5.158 -1.103 0.579 1.00 0.00 O ATOM 772 CB VAL A 50 7.054 -1.467 3.079 1.00 0.00 C ATOM 773 CG1 VAL A 50 5.764 -2.210 3.395 1.00 0.00 C ATOM 774 CG2 VAL A 50 8.234 -2.094 3.806 1.00 0.00 C ATOM 0 H VAL A 50 9.109 -0.498 2.009 1.00 0.00 H new ATOM 0 HA VAL A 50 7.269 -2.481 1.221 1.00 0.00 H new ATOM 0 HB VAL A 50 6.948 -0.440 3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.602 -2.215 4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.928 -1.712 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.837 -3.236 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.039 -2.101 4.878 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.375 -3.117 3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.135 -1.514 3.605 1.00 0.00 H new ATOM 784 N ILE A 51 6.586 0.641 0.575 1.00 0.00 N ATOM 785 CA ILE A 51 5.695 1.543 -0.124 1.00 0.00 C ATOM 786 C ILE A 51 5.553 1.078 -1.563 1.00 0.00 C ATOM 787 O ILE A 51 4.495 1.221 -2.175 1.00 0.00 O ATOM 788 CB ILE A 51 6.201 3.007 -0.040 1.00 0.00 C ATOM 789 CG1 ILE A 51 5.165 3.862 0.675 1.00 0.00 C ATOM 790 CG2 ILE A 51 6.514 3.595 -1.401 1.00 0.00 C ATOM 791 CD1 ILE A 51 3.740 3.656 0.178 1.00 0.00 C ATOM 0 H ILE A 51 7.488 1.051 0.817 1.00 0.00 H new ATOM 0 HA ILE A 51 4.714 1.526 0.351 1.00 0.00 H new ATOM 0 HB ILE A 51 7.135 3.000 0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.202 3.642 1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.432 4.912 0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.864 4.621 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.289 3.001 -1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.614 3.587 -2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.063 4.301 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.685 3.904 -0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.451 2.615 0.322 1.00 0.00 H new ATOM 803 N SER A 52 6.625 0.481 -2.083 1.00 0.00 N ATOM 804 CA SER A 52 6.611 -0.047 -3.429 1.00 0.00 C ATOM 805 C SER A 52 5.768 -1.307 -3.470 1.00 0.00 C ATOM 806 O SER A 52 5.090 -1.595 -4.456 1.00 0.00 O ATOM 807 CB SER A 52 8.019 -0.358 -3.914 1.00 0.00 C ATOM 808 OG SER A 52 7.998 -0.940 -5.205 1.00 0.00 O ATOM 0 H SER A 52 7.507 0.356 -1.587 1.00 0.00 H new ATOM 0 HA SER A 52 6.183 0.708 -4.088 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.610 0.558 -3.934 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.506 -1.037 -3.214 1.00 0.00 H new ATOM 0 HG SER A 52 8.911 -0.982 -5.560 1.00 0.00 H new ATOM 814 N LEU A 53 5.839 -2.060 -2.378 1.00 0.00 N ATOM 815 CA LEU A 53 5.110 -3.306 -2.253 1.00 0.00 C ATOM 816 C LEU A 53 3.695 -3.068 -1.753 1.00 0.00 C ATOM 817 O LEU A 53 2.802 -3.873 -2.006 1.00 0.00 O ATOM 818 CB LEU A 53 5.833 -4.275 -1.315 1.00 0.00 C ATOM 819 CG LEU A 53 7.309 -3.971 -1.097 1.00 0.00 C ATOM 820 CD1 LEU A 53 7.921 -4.950 -0.106 1.00 0.00 C ATOM 821 CD2 LEU A 53 8.061 -3.993 -2.418 1.00 0.00 C ATOM 0 H LEU A 53 6.402 -1.821 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 53 5.058 -3.751 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.328 -4.268 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.740 -5.284 -1.716 1.00 0.00 H new ATOM 0 HG LEU A 53 7.394 -2.969 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.976 -4.714 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.402 -4.873 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.825 -5.965 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.114 -3.773 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.967 -4.979 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.642 -3.242 -3.088 1.00 0.00 H new ATOM 833 N LEU A 54 3.493 -1.970 -1.030 1.00 0.00 N ATOM 834 CA LEU A 54 2.207 -1.646 -0.497 1.00 0.00 C ATOM 835 C LEU A 54 1.305 -1.052 -1.583 1.00 0.00 C ATOM 836 O LEU A 54 0.135 -1.418 -1.692 1.00 0.00 O ATOM 837 CB LEU A 54 2.397 -0.724 0.700 1.00 0.00 C ATOM 838 CG LEU A 54 1.476 0.461 0.762 1.00 0.00 C ATOM 839 CD1 LEU A 54 0.028 -0.008 0.746 1.00 0.00 C ATOM 840 CD2 LEU A 54 1.788 1.282 2.004 1.00 0.00 C ATOM 0 H LEU A 54 4.223 -1.293 -0.807 1.00 0.00 H new ATOM 0 HA LEU A 54 1.696 -2.544 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.268 -1.309 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.425 -0.362 0.697 1.00 0.00 H new ATOM 0 HG LEU A 54 1.628 1.097 -0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.635 0.856 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.164 -0.565 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.156 -0.651 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.120 2.142 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.647 0.666 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.821 1.627 1.962 1.00 0.00 H new ATOM 852 N SER A 55 1.855 -0.150 -2.403 1.00 0.00 N ATOM 853 CA SER A 55 1.086 0.457 -3.486 1.00 0.00 C ATOM 854 C SER A 55 0.394 -0.636 -4.290 1.00 0.00 C ATOM 855 O SER A 55 -0.811 -0.588 -4.524 1.00 0.00 O ATOM 856 CB SER A 55 1.996 1.283 -4.396 1.00 0.00 C ATOM 857 OG SER A 55 2.761 0.447 -5.248 1.00 0.00 O ATOM 0 H SER A 55 2.821 0.171 -2.336 1.00 0.00 H new ATOM 0 HA SER A 55 0.337 1.123 -3.058 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.393 1.965 -4.996 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.662 1.896 -3.789 1.00 0.00 H new ATOM 0 HG SER A 55 3.413 -0.054 -4.715 1.00 0.00 H new ATOM 863 N ARG A 56 1.171 -1.643 -4.668 1.00 0.00 N ATOM 864 CA ARG A 56 0.648 -2.785 -5.401 1.00 0.00 C ATOM 865 C ARG A 56 0.068 -3.784 -4.402 1.00 0.00 C ATOM 866 O ARG A 56 -0.897 -4.493 -4.690 1.00 0.00 O ATOM 867 CB ARG A 56 1.767 -3.427 -6.237 1.00 0.00 C ATOM 868 CG ARG A 56 1.523 -4.883 -6.620 1.00 0.00 C ATOM 869 CD ARG A 56 2.595 -5.801 -6.048 1.00 0.00 C ATOM 870 NE ARG A 56 3.175 -6.668 -7.070 1.00 0.00 N ATOM 871 CZ ARG A 56 2.509 -7.648 -7.677 1.00 0.00 C ATOM 872 NH1 ARG A 56 1.240 -7.886 -7.370 1.00 0.00 N ATOM 873 NH2 ARG A 56 3.113 -8.392 -8.594 1.00 0.00 N ATOM 0 H ARG A 56 2.172 -1.690 -4.477 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.139 -2.466 -6.084 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.901 -2.844 -7.148 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.701 -3.364 -5.678 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.544 -5.196 -6.257 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.505 -4.976 -7.706 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.382 -5.200 -5.593 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.163 -6.413 -5.256 1.00 0.00 H new ATOM 0 HE ARG A 56 4.148 -6.514 -7.334 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.770 -7.317 -6.666 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.734 -8.638 -7.838 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.088 -8.213 -8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.602 -9.143 -9.059 1.00 0.00 H new ATOM 887 N GLY A 57 0.669 -3.814 -3.216 1.00 0.00 N ATOM 888 CA GLY A 57 0.226 -4.701 -2.160 1.00 0.00 C ATOM 889 C GLY A 57 -1.275 -4.698 -1.977 1.00 0.00 C ATOM 890 O GLY A 57 -1.933 -5.732 -2.095 1.00 0.00 O ATOM 0 H GLY A 57 1.467 -3.229 -2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.557 -5.715 -2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.701 -4.408 -1.224 1.00 0.00 H new ATOM 894 N ILE A 58 -1.797 -3.518 -1.674 1.00 0.00 N ATOM 895 CA ILE A 58 -3.218 -3.306 -1.436 1.00 0.00 C ATOM 896 C ILE A 58 -4.123 -4.264 -2.231 1.00 0.00 C ATOM 897 O ILE A 58 -4.368 -5.384 -1.785 1.00 0.00 O ATOM 898 CB ILE A 58 -3.581 -1.819 -1.692 1.00 0.00 C ATOM 899 CG1 ILE A 58 -5.091 -1.587 -1.786 1.00 0.00 C ATOM 900 CG2 ILE A 58 -2.896 -1.306 -2.942 1.00 0.00 C ATOM 901 CD1 ILE A 58 -5.543 -0.373 -1.007 1.00 0.00 C ATOM 0 H ILE A 58 -1.238 -2.669 -1.585 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.409 -3.542 -0.389 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.222 -1.259 -0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.372 -1.468 -2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.614 -2.468 -1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.165 -0.262 -3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.815 -1.389 -2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.214 -1.898 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.622 -0.256 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.290 -0.501 0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.044 0.515 -1.395 1.00 0.00 H new ATOM 1109 N PRO A 70 -12.860 -4.864 -1.099 1.00 0.00 N ATOM 1110 CA PRO A 70 -13.277 -4.014 0.009 1.00 0.00 C ATOM 1111 C PRO A 70 -12.746 -2.591 -0.119 1.00 0.00 C ATOM 1112 O PRO A 70 -11.622 -2.378 -0.572 1.00 0.00 O ATOM 1113 CB PRO A 70 -12.672 -4.701 1.232 1.00 0.00 C ATOM 1114 CG PRO A 70 -11.510 -5.498 0.728 1.00 0.00 C ATOM 1115 CD PRO A 70 -11.667 -5.658 -0.766 1.00 0.00 C ATOM 0 HA PRO A 70 -14.361 -3.909 0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.350 -3.968 1.971 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.404 -5.345 1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.572 -4.994 0.961 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -11.477 -6.473 1.214 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.788 -5.295 -1.298 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -11.797 -6.705 -1.041 1.00 0.00 H new ATOM 1123 N SER A 71 -13.560 -1.620 0.290 1.00 0.00 N ATOM 1124 CA SER A 71 -13.169 -0.213 0.228 1.00 0.00 C ATOM 1125 C SER A 71 -11.765 -0.020 0.789 1.00 0.00 C ATOM 1126 O SER A 71 -10.921 0.626 0.169 1.00 0.00 O ATOM 1127 CB SER A 71 -14.165 0.650 1.006 1.00 0.00 C ATOM 1128 OG SER A 71 -15.488 0.170 0.847 1.00 0.00 O ATOM 0 H SER A 71 -14.494 -1.781 0.668 1.00 0.00 H new ATOM 0 HA SER A 71 -13.172 0.096 -0.817 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.900 0.653 2.063 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.105 1.682 0.660 1.00 0.00 H new ATOM 0 HG SER A 71 -16.105 0.737 1.355 1.00 0.00 H new ATOM 1134 N SER A 72 -11.520 -0.599 1.962 1.00 0.00 N ATOM 1135 CA SER A 72 -10.213 -0.509 2.610 1.00 0.00 C ATOM 1136 C SER A 72 -9.115 -1.196 1.791 1.00 0.00 C ATOM 1137 O SER A 72 -8.046 -1.509 2.313 1.00 0.00 O ATOM 1138 CB SER A 72 -10.286 -1.106 4.013 1.00 0.00 C ATOM 1139 OG SER A 72 -9.857 -0.172 4.989 1.00 0.00 O ATOM 0 H SER A 72 -12.211 -1.137 2.485 1.00 0.00 H new ATOM 0 HA SER A 72 -9.949 0.546 2.679 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.309 -1.416 4.227 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.665 -2.000 4.064 1.00 0.00 H new ATOM 0 HG SER A 72 -9.915 -0.579 5.879 1.00 0.00 H new ATOM 1145 N MET A 73 -9.371 -1.402 0.505 1.00 0.00 N ATOM 1146 CA MET A 73 -8.401 -2.013 -0.390 1.00 0.00 C ATOM 1147 C MET A 73 -8.279 -1.137 -1.627 1.00 0.00 C ATOM 1148 O MET A 73 -8.190 -1.620 -2.755 1.00 0.00 O ATOM 1149 CB MET A 73 -8.826 -3.432 -0.771 1.00 0.00 C ATOM 1150 CG MET A 73 -7.725 -4.466 -0.590 1.00 0.00 C ATOM 1151 SD MET A 73 -7.019 -4.453 1.069 1.00 0.00 S ATOM 1152 CE MET A 73 -5.555 -3.454 0.803 1.00 0.00 C ATOM 0 H MET A 73 -10.252 -1.151 0.057 1.00 0.00 H new ATOM 0 HA MET A 73 -7.435 -2.089 0.110 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.686 -3.720 -0.166 1.00 0.00 H new ATOM 0 HB3 MET A 73 -9.151 -3.438 -1.811 1.00 0.00 H new ATOM 0 HG2 MET A 73 -8.126 -5.457 -0.801 1.00 0.00 H new ATOM 0 HG3 MET A 73 -6.935 -4.280 -1.317 1.00 0.00 H new ATOM 0 HE1 MET A 73 -4.761 -3.786 1.472 1.00 0.00 H new ATOM 0 HE2 MET A 73 -5.226 -3.559 -0.231 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.786 -2.408 1.006 1.00 0.00 H new ATOM 1162 N LEU A 74 -8.294 0.165 -1.376 1.00 0.00 N ATOM 1163 CA LEU A 74 -8.207 1.170 -2.421 1.00 0.00 C ATOM 1164 C LEU A 74 -8.026 2.549 -1.793 1.00 0.00 C ATOM 1165 O LEU A 74 -7.347 3.411 -2.348 1.00 0.00 O ATOM 1166 CB LEU A 74 -9.471 1.131 -3.287 1.00 0.00 C ATOM 1167 CG LEU A 74 -9.741 2.383 -4.131 1.00 0.00 C ATOM 1168 CD1 LEU A 74 -9.863 2.022 -5.605 1.00 0.00 C ATOM 1169 CD2 LEU A 74 -11.002 3.089 -3.648 1.00 0.00 C ATOM 0 H LEU A 74 -8.367 0.554 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.347 0.961 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.404 0.273 -3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.329 0.962 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.897 3.063 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.054 2.924 -6.186 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.935 1.562 -5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -10.687 1.321 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.179 3.975 -4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.853 2.413 -3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.877 3.384 -2.606 1.00 0.00 H new ATOM 1181 N THR A 75 -8.628 2.740 -0.621 1.00 0.00 N ATOM 1182 CA THR A 75 -8.530 3.998 0.099 1.00 0.00 C ATOM 1183 C THR A 75 -7.143 4.143 0.709 1.00 0.00 C ATOM 1184 O THR A 75 -6.667 5.249 0.949 1.00 0.00 O ATOM 1185 CB THR A 75 -9.618 4.063 1.184 1.00 0.00 C ATOM 1186 OG1 THR A 75 -10.541 5.101 0.904 1.00 0.00 O ATOM 1187 CG2 THR A 75 -9.092 4.288 2.593 1.00 0.00 C ATOM 0 H THR A 75 -9.191 2.031 -0.151 1.00 0.00 H new ATOM 0 HA THR A 75 -8.685 4.825 -0.594 1.00 0.00 H new ATOM 0 HB THR A 75 -10.089 3.080 1.157 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.227 5.126 1.604 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.927 4.320 3.292 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.422 3.473 2.866 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.549 5.232 2.632 1.00 0.00 H new ATOM 1195 N ILE A 76 -6.495 3.015 0.946 1.00 0.00 N ATOM 1196 CA ILE A 76 -5.158 3.017 1.503 1.00 0.00 C ATOM 1197 C ILE A 76 -4.164 3.259 0.382 1.00 0.00 C ATOM 1198 O ILE A 76 -3.245 4.066 0.506 1.00 0.00 O ATOM 1199 CB ILE A 76 -4.855 1.677 2.211 1.00 0.00 C ATOM 1200 CG1 ILE A 76 -5.648 1.578 3.515 1.00 0.00 C ATOM 1201 CG2 ILE A 76 -3.365 1.506 2.468 1.00 0.00 C ATOM 1202 CD1 ILE A 76 -6.777 0.573 3.449 1.00 0.00 C ATOM 0 H ILE A 76 -6.875 2.087 0.760 1.00 0.00 H new ATOM 0 HA ILE A 76 -5.077 3.810 2.247 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.165 0.868 1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.972 1.303 4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.056 2.558 3.760 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.189 0.553 2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.828 1.524 1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.009 2.319 3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.300 0.550 4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.473 0.859 2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.372 -0.416 3.234 1.00 0.00 H new ATOM 1214 N TYR A 77 -4.398 2.584 -0.732 1.00 0.00 N ATOM 1215 CA TYR A 77 -3.569 2.742 -1.910 1.00 0.00 C ATOM 1216 C TYR A 77 -3.634 4.192 -2.356 1.00 0.00 C ATOM 1217 O TYR A 77 -2.617 4.869 -2.510 1.00 0.00 O ATOM 1218 CB TYR A 77 -4.086 1.826 -3.022 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.184 1.726 -4.226 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -2.186 2.659 -4.463 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -3.339 0.686 -5.126 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -1.361 2.557 -5.567 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -2.521 0.573 -6.234 1.00 0.00 C ATOM 1224 CZ TYR A 77 -1.532 1.510 -6.450 1.00 0.00 C ATOM 1225 OH TYR A 77 -0.714 1.404 -7.552 1.00 0.00 O ATOM 0 H TYR A 77 -5.162 1.917 -0.842 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.537 2.474 -1.685 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.234 0.827 -2.612 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.063 2.186 -3.346 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.051 3.479 -3.773 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.112 -0.049 -4.960 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.588 3.291 -5.738 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.655 -0.244 -6.927 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.965 0.611 -8.071 1.00 0.00 H new ATOM 1235 N THR A 78 -4.856 4.663 -2.525 1.00 0.00 N ATOM 1236 CA THR A 78 -5.112 6.034 -2.923 1.00 0.00 C ATOM 1237 C THR A 78 -4.394 6.995 -1.985 1.00 0.00 C ATOM 1238 O THR A 78 -3.882 8.034 -2.397 1.00 0.00 O ATOM 1239 CB THR A 78 -6.615 6.286 -2.851 1.00 0.00 C ATOM 1240 OG1 THR A 78 -7.022 7.279 -3.775 1.00 0.00 O ATOM 1241 CG2 THR A 78 -7.051 6.708 -1.480 1.00 0.00 C ATOM 0 H THR A 78 -5.699 4.105 -2.390 1.00 0.00 H new ATOM 0 HA THR A 78 -4.747 6.195 -3.937 1.00 0.00 H new ATOM 0 HB THR A 78 -7.088 5.336 -3.101 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.990 7.415 -3.704 1.00 0.00 H new ATOM 0 HG21 THR A 78 -8.128 6.876 -1.476 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.803 5.926 -0.763 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.539 7.629 -1.203 1.00 0.00 H new ATOM 1249 N GLN A 79 -4.373 6.620 -0.717 1.00 0.00 N ATOM 1250 CA GLN A 79 -3.735 7.418 0.317 1.00 0.00 C ATOM 1251 C GLN A 79 -2.228 7.346 0.164 1.00 0.00 C ATOM 1252 O GLN A 79 -1.524 8.355 0.225 1.00 0.00 O ATOM 1253 CB GLN A 79 -4.149 6.928 1.704 1.00 0.00 C ATOM 1254 CG GLN A 79 -5.443 7.551 2.200 1.00 0.00 C ATOM 1255 CD GLN A 79 -5.376 9.066 2.267 1.00 0.00 C ATOM 1256 OE1 GLN A 79 -6.292 9.758 1.825 1.00 0.00 O ATOM 1257 NE2 GLN A 79 -4.288 9.589 2.820 1.00 0.00 N ATOM 0 H GLN A 79 -4.796 5.757 -0.376 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.056 8.454 0.209 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.261 5.844 1.680 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.352 7.150 2.413 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.259 7.256 1.541 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.675 7.158 3.190 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.552 8.978 3.174 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.188 10.602 2.891 1.00 0.00 H new ATOM 1266 N ILE A 80 -1.757 6.134 -0.061 1.00 0.00 N ATOM 1267 CA ILE A 80 -0.349 5.860 -0.262 1.00 0.00 C ATOM 1268 C ILE A 80 0.224 6.781 -1.335 1.00 0.00 C ATOM 1269 O ILE A 80 1.201 7.494 -1.103 1.00 0.00 O ATOM 1270 CB ILE A 80 -0.192 4.379 -0.658 1.00 0.00 C ATOM 1271 CG1 ILE A 80 0.244 3.558 0.543 1.00 0.00 C ATOM 1272 CG2 ILE A 80 0.758 4.183 -1.815 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -0.900 2.807 1.169 1.00 0.00 C ATOM 0 H ILE A 80 -2.348 5.304 -0.110 1.00 0.00 H new ATOM 0 HA ILE A 80 0.205 6.048 0.658 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.168 4.031 -0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.015 2.851 0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.693 4.217 1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.830 3.121 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.387 4.724 -2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.744 4.562 -1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.536 2.236 2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.660 3.514 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.333 2.127 0.436 1.00 0.00 H new ATOM 1285 N GLN A 81 -0.408 6.777 -2.503 1.00 0.00 N ATOM 1286 CA GLN A 81 0.021 7.628 -3.600 1.00 0.00 C ATOM 1287 C GLN A 81 -0.123 9.091 -3.204 1.00 0.00 C ATOM 1288 O GLN A 81 0.612 9.955 -3.677 1.00 0.00 O ATOM 1289 CB GLN A 81 -0.805 7.335 -4.854 1.00 0.00 C ATOM 1290 CG GLN A 81 -0.399 6.051 -5.561 1.00 0.00 C ATOM 1291 CD GLN A 81 -0.116 6.259 -7.036 1.00 0.00 C ATOM 1292 OE1 GLN A 81 0.879 5.763 -7.565 1.00 0.00 O ATOM 1293 NE2 GLN A 81 -0.993 6.995 -7.709 1.00 0.00 N ATOM 0 H GLN A 81 -1.218 6.194 -2.712 1.00 0.00 H new ATOM 0 HA GLN A 81 1.068 7.421 -3.820 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.858 7.272 -4.579 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.706 8.170 -5.548 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.489 5.641 -5.079 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.193 5.312 -5.448 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.804 7.387 -7.230 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.856 7.168 -8.705 1.00 0.00 H new ATOM 1302 N LYS A 82 -1.083 9.350 -2.324 1.00 0.00 N ATOM 1303 CA LYS A 82 -1.346 10.696 -1.841 1.00 0.00 C ATOM 1304 C LYS A 82 -0.187 11.221 -1.030 1.00 0.00 C ATOM 1305 O LYS A 82 0.185 12.376 -1.152 1.00 0.00 O ATOM 1306 CB LYS A 82 -2.615 10.722 -0.989 1.00 0.00 C ATOM 1307 CG LYS A 82 -3.676 11.658 -1.523 1.00 0.00 C ATOM 1308 CD LYS A 82 -4.338 11.076 -2.759 1.00 0.00 C ATOM 1309 CE LYS A 82 -5.852 11.046 -2.625 1.00 0.00 C ATOM 1310 NZ LYS A 82 -6.518 10.753 -3.925 1.00 0.00 N ATOM 0 H LYS A 82 -1.696 8.637 -1.929 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.482 11.337 -2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.026 9.714 -0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.356 11.020 0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.427 11.839 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.228 12.622 -1.765 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.062 11.667 -3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.968 10.065 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.137 10.291 -1.893 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.202 12.006 -2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.549 10.741 -3.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.267 11.487 -4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.204 9.825 -4.275 1.00 0.00 H new ATOM 1324 N ASP A 83 0.395 10.360 -0.223 1.00 0.00 N ATOM 1325 CA ASP A 83 1.536 10.748 0.590 1.00 0.00 C ATOM 1326 C ASP A 83 2.666 11.144 -0.332 1.00 0.00 C ATOM 1327 O ASP A 83 3.416 12.086 -0.077 1.00 0.00 O ATOM 1328 CB ASP A 83 1.973 9.590 1.485 1.00 0.00 C ATOM 1329 CG ASP A 83 0.903 9.180 2.476 1.00 0.00 C ATOM 1330 OD1 ASP A 83 -0.272 9.550 2.270 1.00 0.00 O ATOM 1331 OD2 ASP A 83 1.240 8.487 3.458 1.00 0.00 O ATOM 0 H ASP A 83 0.101 9.390 -0.110 1.00 0.00 H new ATOM 0 HA ASP A 83 1.262 11.586 1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.233 8.734 0.863 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.874 9.876 2.027 1.00 0.00 H new ATOM 1336 N ILE A 84 2.747 10.410 -1.426 1.00 0.00 N ATOM 1337 CA ILE A 84 3.738 10.640 -2.444 1.00 0.00 C ATOM 1338 C ILE A 84 3.558 12.035 -3.062 1.00 0.00 C ATOM 1339 O ILE A 84 4.423 12.899 -2.919 1.00 0.00 O ATOM 1340 CB ILE A 84 3.629 9.535 -3.517 1.00 0.00 C ATOM 1341 CG1 ILE A 84 4.707 8.481 -3.313 1.00 0.00 C ATOM 1342 CG2 ILE A 84 3.706 10.112 -4.898 1.00 0.00 C ATOM 1343 CD1 ILE A 84 4.577 7.764 -1.999 1.00 0.00 C ATOM 0 H ILE A 84 2.119 9.633 -1.629 1.00 0.00 H new ATOM 0 HA ILE A 84 4.733 10.603 -2.001 1.00 0.00 H new ATOM 0 HB ILE A 84 2.655 9.057 -3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.658 7.755 -4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.687 8.955 -3.368 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.626 9.310 -5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.889 10.819 -5.043 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.658 10.627 -5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.372 7.024 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.655 8.483 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.609 7.264 -1.951 1.00 0.00 H new ATOM 1355 N LYS A 85 2.427 12.250 -3.743 1.00 0.00 N ATOM 1356 CA LYS A 85 2.143 13.534 -4.368 1.00 0.00 C ATOM 1357 C LYS A 85 1.992 14.613 -3.331 1.00 0.00 C ATOM 1358 O LYS A 85 2.232 15.791 -3.596 1.00 0.00 O ATOM 1359 CB LYS A 85 0.829 13.501 -5.143 1.00 0.00 C ATOM 1360 CG LYS A 85 0.567 12.218 -5.882 1.00 0.00 C ATOM 1361 CD LYS A 85 1.234 12.248 -7.238 1.00 0.00 C ATOM 1362 CE LYS A 85 2.284 11.167 -7.385 1.00 0.00 C ATOM 1363 NZ LYS A 85 2.611 10.901 -8.814 1.00 0.00 N ATOM 0 H LYS A 85 1.698 11.548 -3.872 1.00 0.00 H new ATOM 0 HA LYS A 85 2.980 13.737 -5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.008 13.678 -4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.824 14.324 -5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.942 11.374 -5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.507 12.071 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.479 12.126 -8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.696 13.223 -7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.189 11.465 -6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.928 10.249 -6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.333 10.155 -8.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.753 10.592 -9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.975 11.770 -9.254 1.00 0.00 H new ATOM 1377 N ASN A 86 1.524 14.211 -2.165 1.00 0.00 N ATOM 1378 CA ASN A 86 1.268 15.172 -1.114 1.00 0.00 C ATOM 1379 C ASN A 86 2.554 15.776 -0.572 1.00 0.00 C ATOM 1380 O ASN A 86 2.542 16.856 0.020 1.00 0.00 O ATOM 1381 CB ASN A 86 0.462 14.552 0.033 1.00 0.00 C ATOM 1382 CG ASN A 86 0.216 15.530 1.166 1.00 0.00 C ATOM 1383 OD1 ASN A 86 0.242 16.744 0.970 1.00 0.00 O ATOM 1384 ND2 ASN A 86 -0.024 15.002 2.362 1.00 0.00 N ATOM 0 H ASN A 86 1.317 13.242 -1.925 1.00 0.00 H new ATOM 0 HA ASN A 86 0.677 15.970 -1.564 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -0.495 14.197 -0.350 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.994 13.682 0.418 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.196 15.610 3.163 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.036 13.989 2.479 1.00 0.00 H new ATOM 1391 N GLY A 87 3.656 15.068 -0.755 1.00 0.00 N ATOM 1392 CA GLY A 87 4.922 15.547 -0.250 1.00 0.00 C ATOM 1393 C GLY A 87 5.190 15.004 1.134 1.00 0.00 C ATOM 1394 O GLY A 87 5.797 15.671 1.971 1.00 0.00 O ATOM 0 H GLY A 87 3.696 14.173 -1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.724 15.247 -0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.919 16.637 -0.223 1.00 0.00 H new ATOM 1398 N ASN A 88 4.743 13.774 1.360 1.00 0.00 N ATOM 1399 CA ASN A 88 4.934 13.104 2.626 1.00 0.00 C ATOM 1400 C ASN A 88 6.032 12.081 2.457 1.00 0.00 C ATOM 1401 O ASN A 88 6.823 11.819 3.362 1.00 0.00 O ATOM 1402 CB ASN A 88 3.639 12.428 3.078 1.00 0.00 C ATOM 1403 CG ASN A 88 2.830 13.295 4.023 1.00 0.00 C ATOM 1404 OD1 ASN A 88 3.383 14.091 4.782 1.00 0.00 O ATOM 1405 ND2 ASN A 88 1.511 13.140 3.983 1.00 0.00 N ATOM 0 H ASN A 88 4.240 13.220 0.667 1.00 0.00 H new ATOM 0 HA ASN A 88 5.212 13.829 3.391 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.034 12.187 2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 88 3.878 11.485 3.570 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.914 13.693 4.598 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.096 12.468 3.338 1.00 0.00 H new ATOM 1412 N ILE A 89 6.067 11.522 1.257 1.00 0.00 N ATOM 1413 CA ILE A 89 7.029 10.547 0.873 1.00 0.00 C ATOM 1414 C ILE A 89 8.005 11.182 -0.092 1.00 0.00 C ATOM 1415 O ILE A 89 7.671 12.166 -0.754 1.00 0.00 O ATOM 1416 CB ILE A 89 6.319 9.408 0.149 1.00 0.00 C ATOM 1417 CG1 ILE A 89 5.132 8.868 0.956 1.00 0.00 C ATOM 1418 CG2 ILE A 89 7.307 8.332 -0.152 1.00 0.00 C ATOM 1419 CD1 ILE A 89 5.322 8.896 2.460 1.00 0.00 C ATOM 0 H ILE A 89 5.403 11.752 0.518 1.00 0.00 H new ATOM 0 HA ILE A 89 7.548 10.172 1.755 1.00 0.00 H new ATOM 0 HB ILE A 89 5.905 9.790 -0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.245 9.450 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.938 7.841 0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.807 7.513 -0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.099 8.732 -0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.738 7.963 0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.433 8.496 2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.187 8.289 2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.483 9.923 2.787 1.00 0.00 H new ATOM 1431 N ASP A 90 9.186 10.613 -0.213 1.00 0.00 N ATOM 1432 CA ASP A 90 10.149 11.139 -1.147 1.00 0.00 C ATOM 1433 C ASP A 90 10.206 10.213 -2.332 1.00 0.00 C ATOM 1434 O ASP A 90 11.116 9.400 -2.476 1.00 0.00 O ATOM 1435 CB ASP A 90 11.526 11.329 -0.503 1.00 0.00 C ATOM 1436 CG ASP A 90 11.879 12.792 -0.318 1.00 0.00 C ATOM 1437 OD1 ASP A 90 12.405 13.400 -1.273 1.00 0.00 O ATOM 1438 OD2 ASP A 90 11.628 13.328 0.782 1.00 0.00 O ATOM 0 H ASP A 90 9.496 9.798 0.317 1.00 0.00 H new ATOM 0 HA ASP A 90 9.838 12.132 -1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.544 10.828 0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.284 10.851 -1.123 1.00 0.00 H new ATOM 1443 N THR A 91 9.190 10.337 -3.175 1.00 0.00 N ATOM 1444 CA THR A 91 9.073 9.510 -4.352 1.00 0.00 C ATOM 1445 C THR A 91 10.357 9.524 -5.173 1.00 0.00 C ATOM 1446 O THR A 91 10.574 8.652 -6.011 1.00 0.00 O ATOM 1447 CB THR A 91 7.869 9.931 -5.181 1.00 0.00 C ATOM 1448 OG1 THR A 91 7.146 10.970 -4.544 1.00 0.00 O ATOM 1449 CG2 THR A 91 6.917 8.794 -5.429 1.00 0.00 C ATOM 0 H THR A 91 8.433 11.010 -3.057 1.00 0.00 H new ATOM 0 HA THR A 91 8.915 8.481 -4.031 1.00 0.00 H new ATOM 0 HB THR A 91 8.273 10.275 -6.133 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.652 11.807 -4.607 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.075 9.147 -6.025 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.433 7.998 -5.966 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.551 8.411 -4.476 1.00 0.00 H new ATOM 1457 N GLU A 92 11.230 10.487 -4.891 1.00 0.00 N ATOM 1458 CA GLU A 92 12.506 10.564 -5.564 1.00 0.00 C ATOM 1459 C GLU A 92 13.356 9.392 -5.113 1.00 0.00 C ATOM 1460 O GLU A 92 14.094 8.800 -5.897 1.00 0.00 O ATOM 1461 CB GLU A 92 13.208 11.883 -5.240 1.00 0.00 C ATOM 1462 CG GLU A 92 12.258 13.065 -5.111 1.00 0.00 C ATOM 1463 CD GLU A 92 12.924 14.388 -5.435 1.00 0.00 C ATOM 1464 OE1 GLU A 92 14.053 14.617 -4.953 1.00 0.00 O ATOM 1465 OE2 GLU A 92 12.316 15.194 -6.171 1.00 0.00 O ATOM 0 H GLU A 92 11.070 11.220 -4.200 1.00 0.00 H new ATOM 0 HA GLU A 92 12.355 10.524 -6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.762 11.770 -4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.937 12.098 -6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.408 12.918 -5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.864 13.100 -4.095 1.00 0.00 H new ATOM 1472 N LYS A 93 13.203 9.043 -3.838 1.00 0.00 N ATOM 1473 CA LYS A 93 13.909 7.923 -3.263 1.00 0.00 C ATOM 1474 C LYS A 93 13.245 6.644 -3.733 1.00 0.00 C ATOM 1475 O LYS A 93 13.906 5.682 -4.122 1.00 0.00 O ATOM 1476 CB LYS A 93 13.960 8.045 -1.728 1.00 0.00 C ATOM 1477 CG LYS A 93 12.787 7.413 -0.994 1.00 0.00 C ATOM 1478 CD LYS A 93 12.181 8.340 0.052 1.00 0.00 C ATOM 1479 CE LYS A 93 13.233 8.979 0.941 1.00 0.00 C ATOM 1480 NZ LYS A 93 13.912 7.977 1.808 1.00 0.00 N ATOM 0 H LYS A 93 12.588 9.531 -3.186 1.00 0.00 H new ATOM 0 HA LYS A 93 14.946 7.910 -3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.882 7.585 -1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.008 9.101 -1.464 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.019 7.135 -1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.118 6.494 -0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.609 9.122 -0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.481 7.777 0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.974 9.484 0.321 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.766 9.742 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.211 8.431 2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.254 7.200 2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.746 7.599 1.315 1.00 0.00 H new ATOM 1494 N LEU A 94 11.922 6.676 -3.744 1.00 0.00 N ATOM 1495 CA LEU A 94 11.127 5.575 -4.215 1.00 0.00 C ATOM 1496 C LEU A 94 11.463 5.266 -5.647 1.00 0.00 C ATOM 1497 O LEU A 94 11.581 4.113 -6.036 1.00 0.00 O ATOM 1498 CB LEU A 94 9.679 5.969 -4.132 1.00 0.00 C ATOM 1499 CG LEU A 94 9.003 5.496 -2.888 1.00 0.00 C ATOM 1500 CD1 LEU A 94 7.666 6.199 -2.713 1.00 0.00 C ATOM 1501 CD2 LEU A 94 8.866 3.993 -2.961 1.00 0.00 C ATOM 0 H LEU A 94 11.375 7.475 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 94 11.327 4.694 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.603 7.055 -4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.151 5.568 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 94 9.597 5.743 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.185 5.844 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.827 7.275 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.027 5.983 -3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.374 3.628 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.271 3.724 -3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.855 3.541 -3.043 1.00 0.00 H new ATOM 1513 N ARG A 95 11.599 6.320 -6.431 1.00 0.00 N ATOM 1514 CA ARG A 95 11.909 6.177 -7.831 1.00 0.00 C ATOM 1515 C ARG A 95 13.184 5.387 -8.020 1.00 0.00 C ATOM 1516 O ARG A 95 13.231 4.475 -8.833 1.00 0.00 O ATOM 1517 CB ARG A 95 12.030 7.562 -8.476 1.00 0.00 C ATOM 1518 CG ARG A 95 13.318 7.784 -9.261 1.00 0.00 C ATOM 1519 CD ARG A 95 13.175 8.837 -10.356 1.00 0.00 C ATOM 1520 NE ARG A 95 11.791 9.274 -10.552 1.00 0.00 N ATOM 1521 CZ ARG A 95 11.177 9.314 -11.735 1.00 0.00 C ATOM 1522 NH1 ARG A 95 11.815 8.959 -12.844 1.00 0.00 N ATOM 1523 NH2 ARG A 95 9.915 9.717 -11.807 1.00 0.00 N ATOM 0 H ARG A 95 11.498 7.285 -6.115 1.00 0.00 H new ATOM 0 HA ARG A 95 11.102 5.629 -8.317 1.00 0.00 H new ATOM 0 HB2 ARG A 95 11.182 7.713 -9.144 1.00 0.00 H new ATOM 0 HB3 ARG A 95 11.960 8.320 -7.695 1.00 0.00 H new ATOM 0 HG2 ARG A 95 14.108 8.087 -8.574 1.00 0.00 H new ATOM 0 HG3 ARG A 95 13.630 6.841 -9.710 1.00 0.00 H new ATOM 0 HD2 ARG A 95 13.791 9.701 -10.105 1.00 0.00 H new ATOM 0 HD3 ARG A 95 13.559 8.433 -11.293 1.00 0.00 H new ATOM 0 HE ARG A 95 11.262 9.567 -9.730 1.00 0.00 H new ATOM 0 HH11 ARG A 95 12.786 8.651 -12.797 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.334 8.994 -13.743 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.419 9.994 -10.960 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.441 9.749 -12.709 1.00 0.00 H new ATOM 1537 N LYS A 96 14.206 5.743 -7.257 1.00 0.00 N ATOM 1538 CA LYS A 96 15.500 5.062 -7.351 1.00 0.00 C ATOM 1539 C LYS A 96 15.319 3.576 -7.149 1.00 0.00 C ATOM 1540 O LYS A 96 15.644 2.762 -8.016 1.00 0.00 O ATOM 1541 CB LYS A 96 16.492 5.599 -6.315 1.00 0.00 C ATOM 1542 CG LYS A 96 16.435 7.104 -6.113 1.00 0.00 C ATOM 1543 CD LYS A 96 16.490 7.855 -7.434 1.00 0.00 C ATOM 1544 CE LYS A 96 17.909 7.922 -7.979 1.00 0.00 C ATOM 1545 NZ LYS A 96 18.064 9.005 -8.989 1.00 0.00 N ATOM 0 H LYS A 96 14.171 6.494 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 96 15.904 5.253 -8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 96 16.302 5.109 -5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 96 17.502 5.323 -6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.518 7.365 -5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.267 7.418 -5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 96 15.843 7.363 -8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 96 16.104 8.865 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 96 18.606 8.089 -7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 96 18.171 6.965 -8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 19.044 9.018 -9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.417 8.833 -9.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 17.839 9.922 -8.552 1.00 0.00 H new ATOM 1559 N TYR A 97 14.775 3.237 -6.000 1.00 0.00 N ATOM 1560 CA TYR A 97 14.516 1.857 -5.661 1.00 0.00 C ATOM 1561 C TYR A 97 13.559 1.250 -6.681 1.00 0.00 C ATOM 1562 O TYR A 97 13.754 0.131 -7.144 1.00 0.00 O ATOM 1563 CB TYR A 97 13.939 1.789 -4.249 1.00 0.00 C ATOM 1564 CG TYR A 97 13.065 0.602 -3.994 1.00 0.00 C ATOM 1565 CD1 TYR A 97 13.549 -0.688 -4.148 1.00 0.00 C ATOM 1566 CD2 TYR A 97 11.756 0.776 -3.593 1.00 0.00 C ATOM 1567 CE1 TYR A 97 12.743 -1.780 -3.909 1.00 0.00 C ATOM 1568 CE2 TYR A 97 10.948 -0.306 -3.353 1.00 0.00 C ATOM 1569 CZ TYR A 97 11.441 -1.584 -3.511 1.00 0.00 C ATOM 1570 OH TYR A 97 10.629 -2.668 -3.268 1.00 0.00 O ATOM 0 H TYR A 97 14.502 3.906 -5.280 1.00 0.00 H new ATOM 0 HA TYR A 97 15.442 1.282 -5.685 1.00 0.00 H new ATOM 0 HB2 TYR A 97 14.762 1.779 -3.534 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.364 2.695 -4.061 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.572 -0.839 -4.460 1.00 0.00 H new ATOM 0 HD2 TYR A 97 11.364 1.774 -3.467 1.00 0.00 H new ATOM 0 HE1 TYR A 97 13.130 -2.781 -4.033 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.925 -0.157 -3.040 1.00 0.00 H new ATOM 0 HH TYR A 97 11.173 -3.421 -2.955 1.00 0.00 H new ATOM 1580 N GLU A 98 12.544 2.024 -7.042 1.00 0.00 N ATOM 1581 CA GLU A 98 11.558 1.606 -8.020 1.00 0.00 C ATOM 1582 C GLU A 98 12.241 1.331 -9.344 1.00 0.00 C ATOM 1583 O GLU A 98 11.801 0.478 -10.112 1.00 0.00 O ATOM 1584 CB GLU A 98 10.483 2.680 -8.195 1.00 0.00 C ATOM 1585 CG GLU A 98 9.466 2.714 -7.065 1.00 0.00 C ATOM 1586 CD GLU A 98 8.731 4.039 -6.977 1.00 0.00 C ATOM 1587 OE1 GLU A 98 9.051 4.950 -7.768 1.00 0.00 O ATOM 1588 OE2 GLU A 98 7.835 4.164 -6.116 1.00 0.00 O ATOM 0 H GLU A 98 12.384 2.958 -6.663 1.00 0.00 H new ATOM 0 HA GLU A 98 11.076 0.695 -7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.964 3.655 -8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.961 2.510 -9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.743 1.911 -7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.973 2.521 -6.120 1.00 0.00 H new ATOM 1595 N ILE A 99 13.339 2.040 -9.602 1.00 0.00 N ATOM 1596 CA ILE A 99 14.079 1.829 -10.830 1.00 0.00 C ATOM 1597 C ILE A 99 14.505 0.382 -10.894 1.00 0.00 C ATOM 1598 O ILE A 99 14.282 -0.322 -11.878 1.00 0.00 O ATOM 1599 CB ILE A 99 15.349 2.698 -10.932 1.00 0.00 C ATOM 1600 CG1 ILE A 99 15.051 4.152 -10.611 1.00 0.00 C ATOM 1601 CG2 ILE A 99 15.961 2.573 -12.314 1.00 0.00 C ATOM 1602 CD1 ILE A 99 13.921 4.740 -11.430 1.00 0.00 C ATOM 0 H ILE A 99 13.726 2.753 -8.984 1.00 0.00 H new ATOM 0 HA ILE A 99 13.418 2.106 -11.651 1.00 0.00 H new ATOM 0 HB ILE A 99 16.066 2.336 -10.195 1.00 0.00 H new ATOM 0 HG12 ILE A 99 14.803 4.237 -9.553 1.00 0.00 H new ATOM 0 HG13 ILE A 99 15.952 4.743 -10.776 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.857 3.191 -12.373 1.00 0.00 H new ATOM 0 HG22 ILE A 99 16.225 1.532 -12.502 1.00 0.00 H new ATOM 0 HG23 ILE A 99 15.241 2.905 -13.062 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.768 5.781 -11.144 1.00 0.00 H new ATOM 0 HD12 ILE A 99 14.174 4.688 -12.489 1.00 0.00 H new ATOM 0 HD13 ILE A 99 13.007 4.175 -11.247 1.00 0.00 H new ATOM 1614 N ALA A 100 15.119 -0.037 -9.803 1.00 0.00 N ATOM 1615 CA ALA A 100 15.601 -1.401 -9.658 1.00 0.00 C ATOM 1616 C ALA A 100 14.462 -2.399 -9.512 1.00 0.00 C ATOM 1617 O ALA A 100 14.691 -3.603 -9.394 1.00 0.00 O ATOM 1618 CB ALA A 100 16.536 -1.496 -8.463 1.00 0.00 C ATOM 0 H ALA A 100 15.298 0.556 -8.993 1.00 0.00 H new ATOM 0 HA ALA A 100 16.143 -1.657 -10.569 1.00 0.00 H new ATOM 0 HB1 ALA A 100 16.893 -2.521 -8.361 1.00 0.00 H new ATOM 0 HB2 ALA A 100 17.385 -0.829 -8.612 1.00 0.00 H new ATOM 0 HB3 ALA A 100 16.001 -1.206 -7.559 1.00 0.00 H new ATOM 1624 N LYS A 101 13.241 -1.897 -9.504 1.00 0.00 N ATOM 1625 CA LYS A 101 12.080 -2.734 -9.354 1.00 0.00 C ATOM 1626 C LYS A 101 11.286 -2.841 -10.648 1.00 0.00 C ATOM 1627 O LYS A 101 10.971 -3.936 -11.114 1.00 0.00 O ATOM 1628 CB LYS A 101 11.216 -2.162 -8.256 1.00 0.00 C ATOM 1629 CG LYS A 101 11.905 -2.123 -6.905 1.00 0.00 C ATOM 1630 CD LYS A 101 12.386 -3.491 -6.457 1.00 0.00 C ATOM 1631 CE LYS A 101 11.287 -4.269 -5.756 1.00 0.00 C ATOM 1632 NZ LYS A 101 10.544 -5.153 -6.697 1.00 0.00 N ATOM 0 H LYS A 101 13.034 -0.903 -9.601 1.00 0.00 H new ATOM 0 HA LYS A 101 12.405 -3.742 -9.097 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.914 -1.151 -8.531 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.305 -2.755 -8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.754 -1.441 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.216 -1.722 -6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.737 -4.055 -7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.236 -3.376 -5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.721 -4.872 -4.958 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.592 -3.573 -5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.528 -5.114 -6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.703 -4.832 -7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.882 -6.131 -6.595 1.00 0.00 H new ATOM 1646 N GLY A 102 10.960 -1.690 -11.209 1.00 0.00 N ATOM 1647 CA GLY A 102 10.193 -1.646 -12.441 1.00 0.00 C ATOM 1648 C GLY A 102 8.710 -1.861 -12.203 1.00 0.00 C ATOM 1649 O GLY A 102 8.059 -2.609 -12.933 1.00 0.00 O ATOM 0 H GLY A 102 11.213 -0.776 -10.833 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.345 -0.682 -12.927 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.564 -2.410 -13.125 1.00 0.00 H new ATOM 1653 N LEU A 103 8.173 -1.210 -11.172 1.00 0.00 N ATOM 1654 CA LEU A 103 6.760 -1.342 -10.835 1.00 0.00 C ATOM 1655 C LEU A 103 5.975 -0.086 -11.187 1.00 0.00 C ATOM 1656 O LEU A 103 4.881 0.146 -10.674 1.00 0.00 O ATOM 1657 CB LEU A 103 6.616 -1.641 -9.348 1.00 0.00 C ATOM 1658 CG LEU A 103 6.955 -0.455 -8.461 1.00 0.00 C ATOM 1659 CD1 LEU A 103 6.193 -0.520 -7.148 1.00 0.00 C ATOM 1660 CD2 LEU A 103 8.453 -0.377 -8.221 1.00 0.00 C ATOM 0 H LEU A 103 8.696 -0.587 -10.557 1.00 0.00 H new ATOM 0 HA LEU A 103 6.350 -2.164 -11.422 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.593 -1.957 -9.145 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.265 -2.477 -9.088 1.00 0.00 H new ATOM 0 HG LEU A 103 6.647 0.454 -8.977 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.455 0.341 -6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.122 -0.511 -7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.456 -1.437 -6.620 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.675 0.479 -7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.791 -1.291 -7.732 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.969 -0.263 -9.174 1.00 0.00 H new