USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 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 61 SER OG : rot 140:sc= -0.211 USER MOD Set 1.2: A 92 SER OG : rot 159:sc= 1.74 USER MOD Set 2.1: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 29 THR OG1 : rot 83:sc= 1.15 USER MOD Set 3.2: A 43 TYR OH : rot 150:sc= -1.25! USER MOD Single : A 1 GLY N :NH3+ -175:sc= -0.128 (180deg=-0.146) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.327 K(o=-0.33,f=-2.7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 20 MET CE :methyl -156:sc= -0.521 (180deg=-3.03) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -143:sc= 1.27 (180deg=1.06) USER MOD Single : A 24 CYS SG : rot 100:sc= -2.24! USER MOD Single : A 32 CYS SG : rot 83:sc= 0.112 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 75:sc= 0.403 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=-0.017) USER MOD Single : A 45 ASN : amide:sc= -0.643 K(o=-0.64,f=-1.2) USER MOD Single : A 48 ASN : amide:sc= -0.0213 K(o=-0.021,f=-1.8) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 51 THR OG1 : rot -10:sc= 1.27 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.022) USER MOD Single : A 73 THR OG1 : rot -170:sc= -0.33 USER MOD Single : A 76 LYS NZ :NH3+ -111:sc= 0.588 (180deg=-0.157) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0699 X(o=-0.07,f=-0.37) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= -1.95 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 90:sc= -0.508 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0424 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.811 5.783 -0.214 1.00 0.00 N ATOM 2 CA GLY A 1 -17.655 6.424 -0.898 1.00 0.00 C ATOM 3 C GLY A 1 -18.059 7.198 -2.139 1.00 0.00 C ATOM 4 O GLY A 1 -17.256 7.944 -2.698 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.489 5.341 0.671 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.530 6.503 0.001 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.222 5.057 -0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.156 7.098 -0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.931 5.657 -1.174 1.00 0.00 H new ATOM 10 N ILE A 2 -19.309 7.016 -2.571 1.00 0.00 N ATOM 11 CA ILE A 2 -19.829 7.699 -3.758 1.00 0.00 C ATOM 12 C ILE A 2 -18.811 7.704 -4.899 1.00 0.00 C ATOM 13 O ILE A 2 -18.485 8.755 -5.452 1.00 0.00 O ATOM 14 CB ILE A 2 -20.244 9.151 -3.440 1.00 0.00 C ATOM 15 CG1 ILE A 2 -19.066 9.933 -2.859 1.00 0.00 C ATOM 16 CG2 ILE A 2 -21.421 9.166 -2.477 1.00 0.00 C ATOM 17 CD1 ILE A 2 -19.326 11.419 -2.741 1.00 0.00 C ATOM 0 H ILE A 2 -19.982 6.400 -2.115 1.00 0.00 H new ATOM 0 HA ILE A 2 -20.709 7.139 -4.074 1.00 0.00 H new ATOM 0 HB ILE A 2 -20.549 9.633 -4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -18.827 9.535 -1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -18.190 9.775 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -21.702 10.197 -2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -22.266 8.646 -2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -21.139 8.666 -1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -18.448 11.910 -2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -19.535 11.831 -3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -20.182 11.588 -2.088 1.00 0.00 H new ATOM 29 N PRO A 3 -18.294 6.518 -5.269 1.00 0.00 N ATOM 30 CA PRO A 3 -17.310 6.389 -6.348 1.00 0.00 C ATOM 31 C PRO A 3 -17.911 6.688 -7.717 1.00 0.00 C ATOM 32 O PRO A 3 -18.995 6.206 -8.049 1.00 0.00 O ATOM 33 CB PRO A 3 -16.876 4.923 -6.264 1.00 0.00 C ATOM 34 CG PRO A 3 -18.022 4.224 -5.619 1.00 0.00 C ATOM 35 CD PRO A 3 -18.627 5.215 -4.664 1.00 0.00 C ATOM 0 HA PRO A 3 -16.488 7.096 -6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.669 4.514 -7.253 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -15.964 4.813 -5.677 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -18.752 3.903 -6.362 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.688 3.330 -5.093 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -19.704 5.078 -4.572 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -18.206 5.117 -3.663 1.00 0.00 H new ATOM 43 N GLU A 4 -17.202 7.486 -8.508 1.00 0.00 N ATOM 44 CA GLU A 4 -17.666 7.849 -9.840 1.00 0.00 C ATOM 45 C GLU A 4 -16.489 8.055 -10.789 1.00 0.00 C ATOM 46 O GLU A 4 -15.679 8.963 -10.602 1.00 0.00 O ATOM 47 CB GLU A 4 -18.514 9.119 -9.781 1.00 0.00 C ATOM 48 CG GLU A 4 -19.580 9.191 -10.862 1.00 0.00 C ATOM 49 CD GLU A 4 -20.884 9.779 -10.357 1.00 0.00 C ATOM 50 OE1 GLU A 4 -21.409 9.275 -9.344 1.00 0.00 O ATOM 51 OE2 GLU A 4 -21.379 10.743 -10.977 1.00 0.00 O ATOM 0 H GLU A 4 -16.304 7.893 -8.249 1.00 0.00 H new ATOM 0 HA GLU A 4 -18.277 7.030 -10.219 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -18.994 9.180 -8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.860 9.987 -9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -19.211 9.794 -11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -19.764 8.190 -11.253 1.00 0.00 H new ATOM 58 N PHE A 5 -16.399 7.205 -11.808 1.00 0.00 N ATOM 59 CA PHE A 5 -15.321 7.294 -12.785 1.00 0.00 C ATOM 60 C PHE A 5 -15.509 6.267 -13.896 1.00 0.00 C ATOM 61 O PHE A 5 -15.302 6.568 -15.073 1.00 0.00 O ATOM 62 CB PHE A 5 -13.968 7.083 -12.103 1.00 0.00 C ATOM 63 CG PHE A 5 -13.855 5.767 -11.387 1.00 0.00 C ATOM 64 CD1 PHE A 5 -14.319 5.626 -10.091 1.00 0.00 C ATOM 65 CD2 PHE A 5 -13.284 4.671 -12.013 1.00 0.00 C ATOM 66 CE1 PHE A 5 -14.217 4.417 -9.429 1.00 0.00 C ATOM 67 CE2 PHE A 5 -13.179 3.458 -11.357 1.00 0.00 C ATOM 68 CZ PHE A 5 -13.646 3.332 -10.064 1.00 0.00 C ATOM 0 H PHE A 5 -17.060 6.447 -11.978 1.00 0.00 H new ATOM 0 HA PHE A 5 -15.346 8.290 -13.227 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -13.179 7.149 -12.852 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -13.800 7.891 -11.391 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -14.767 6.472 -9.590 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -12.917 4.765 -13.024 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -14.583 4.321 -8.417 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -12.732 2.611 -11.856 1.00 0.00 H new ATOM 0 HZ PHE A 5 -13.565 2.386 -9.550 1.00 0.00 H new ATOM 78 N LYS A 6 -15.901 5.055 -13.518 1.00 0.00 N ATOM 79 CA LYS A 6 -16.115 3.985 -14.485 1.00 0.00 C ATOM 80 C LYS A 6 -14.827 3.663 -15.235 1.00 0.00 C ATOM 81 O LYS A 6 -13.936 4.505 -15.349 1.00 0.00 O ATOM 82 CB LYS A 6 -17.216 4.376 -15.475 1.00 0.00 C ATOM 83 CG LYS A 6 -18.221 3.267 -15.738 1.00 0.00 C ATOM 84 CD LYS A 6 -17.947 2.568 -17.060 1.00 0.00 C ATOM 85 CE LYS A 6 -18.554 1.174 -17.090 1.00 0.00 C ATOM 86 NZ LYS A 6 -19.382 0.954 -18.309 1.00 0.00 N ATOM 0 H LYS A 6 -16.077 4.789 -12.549 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.427 3.094 -13.941 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.744 5.249 -15.092 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.757 4.670 -16.419 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -18.183 2.540 -14.926 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -19.229 3.682 -15.747 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -18.355 3.161 -17.878 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -16.871 2.501 -17.221 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -17.758 0.431 -17.053 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -19.169 1.027 -16.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -19.777 -0.008 -18.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -20.157 1.647 -18.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -18.790 1.069 -19.156 1.00 0.00 H new ATOM 100 N GLN A 7 -14.734 2.439 -15.746 1.00 0.00 N ATOM 101 CA GLN A 7 -13.553 2.009 -16.485 1.00 0.00 C ATOM 102 C GLN A 7 -13.867 0.797 -17.357 1.00 0.00 C ATOM 103 O GLN A 7 -13.864 0.886 -18.585 1.00 0.00 O ATOM 104 CB GLN A 7 -12.415 1.678 -15.518 1.00 0.00 C ATOM 105 CG GLN A 7 -11.043 2.076 -16.036 1.00 0.00 C ATOM 106 CD GLN A 7 -10.174 2.706 -14.963 1.00 0.00 C ATOM 107 OE1 GLN A 7 -10.573 2.802 -13.803 1.00 0.00 O ATOM 108 NE2 GLN A 7 -8.979 3.139 -15.348 1.00 0.00 N ATOM 0 H GLN A 7 -15.461 1.729 -15.662 1.00 0.00 H new ATOM 0 HA GLN A 7 -13.242 2.828 -17.134 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.597 2.183 -14.569 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.421 0.607 -15.315 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.540 1.195 -16.435 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.160 2.778 -16.862 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -8.689 3.039 -16.321 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.351 3.572 -14.671 1.00 0.00 H new ATOM 117 N LYS A 8 -14.134 -0.335 -16.713 1.00 0.00 N ATOM 118 CA LYS A 8 -14.446 -1.565 -17.433 1.00 0.00 C ATOM 119 C LYS A 8 -15.331 -2.480 -16.590 1.00 0.00 C ATOM 120 O LYS A 8 -16.371 -2.950 -17.052 1.00 0.00 O ATOM 121 CB LYS A 8 -13.160 -2.295 -17.823 1.00 0.00 C ATOM 122 CG LYS A 8 -12.120 -2.343 -16.712 1.00 0.00 C ATOM 123 CD LYS A 8 -10.752 -1.906 -17.209 1.00 0.00 C ATOM 124 CE LYS A 8 -9.866 -3.101 -17.525 1.00 0.00 C ATOM 125 NZ LYS A 8 -8.742 -2.736 -18.429 1.00 0.00 N ATOM 0 H LYS A 8 -14.141 -0.426 -15.697 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.990 -1.297 -18.339 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.408 -3.314 -18.121 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.725 -1.805 -18.694 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.433 -1.698 -15.891 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.057 -3.356 -16.315 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.867 -1.291 -18.102 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.271 -1.285 -16.454 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.467 -3.512 -16.598 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.465 -3.884 -17.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.162 -3.578 -18.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.122 -2.367 -19.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.155 -2.007 -17.976 1.00 0.00 H new ATOM 139 N ALA A 9 -14.911 -2.733 -15.356 1.00 0.00 N ATOM 140 CA ALA A 9 -15.666 -3.593 -14.454 1.00 0.00 C ATOM 141 C ALA A 9 -16.082 -2.840 -13.193 1.00 0.00 C ATOM 142 O ALA A 9 -15.237 -2.366 -12.434 1.00 0.00 O ATOM 143 CB ALA A 9 -14.848 -4.823 -14.088 1.00 0.00 C ATOM 0 H ALA A 9 -14.052 -2.355 -14.958 1.00 0.00 H new ATOM 0 HA ALA A 9 -16.571 -3.911 -14.971 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -15.425 -5.456 -13.414 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.606 -5.382 -14.992 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -13.926 -4.514 -13.595 1.00 0.00 H new ATOM 149 N LEU A 10 -17.389 -2.736 -12.976 1.00 0.00 N ATOM 150 CA LEU A 10 -17.919 -2.042 -11.808 1.00 0.00 C ATOM 151 C LEU A 10 -19.394 -2.377 -11.603 1.00 0.00 C ATOM 152 O LEU A 10 -20.274 -1.669 -12.091 1.00 0.00 O ATOM 153 CB LEU A 10 -17.737 -0.529 -11.963 1.00 0.00 C ATOM 154 CG LEU A 10 -16.797 0.116 -10.940 1.00 0.00 C ATOM 155 CD1 LEU A 10 -15.455 0.448 -11.577 1.00 0.00 C ATOM 156 CD2 LEU A 10 -17.431 1.368 -10.348 1.00 0.00 C ATOM 0 H LEU A 10 -18.101 -3.124 -13.594 1.00 0.00 H new ATOM 0 HA LEU A 10 -17.366 -2.376 -10.930 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -17.357 -0.324 -12.964 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -18.714 -0.051 -11.889 1.00 0.00 H new ATOM 0 HG LEU A 10 -16.626 -0.598 -10.135 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -14.802 0.905 -10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -14.994 -0.466 -11.951 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -15.606 1.143 -12.403 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -16.749 1.813 -9.623 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -17.633 2.085 -11.144 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -18.365 1.103 -9.852 1.00 0.00 H new ATOM 168 N VAL A 11 -19.654 -3.460 -10.878 1.00 0.00 N ATOM 169 CA VAL A 11 -21.022 -3.887 -10.608 1.00 0.00 C ATOM 170 C VAL A 11 -21.440 -3.532 -9.186 1.00 0.00 C ATOM 171 O VAL A 11 -22.318 -2.696 -8.978 1.00 0.00 O ATOM 172 CB VAL A 11 -21.185 -5.404 -10.816 1.00 0.00 C ATOM 173 CG1 VAL A 11 -22.652 -5.801 -10.724 1.00 0.00 C ATOM 174 CG2 VAL A 11 -20.594 -5.827 -12.153 1.00 0.00 C ATOM 0 H VAL A 11 -18.936 -4.057 -10.467 1.00 0.00 H new ATOM 0 HA VAL A 11 -21.664 -3.359 -11.313 1.00 0.00 H new ATOM 0 HB VAL A 11 -20.642 -5.921 -10.025 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -22.748 -6.876 -10.873 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -23.040 -5.535 -9.741 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -23.220 -5.276 -11.492 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -20.719 -6.902 -12.282 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -21.107 -5.303 -12.960 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -19.533 -5.579 -12.176 1.00 0.00 H new ATOM 184 N ALA A 12 -20.807 -4.174 -8.210 1.00 0.00 N ATOM 185 CA ALA A 12 -21.114 -3.926 -6.807 1.00 0.00 C ATOM 186 C ALA A 12 -19.850 -3.952 -5.954 1.00 0.00 C ATOM 187 O ALA A 12 -18.772 -4.298 -6.436 1.00 0.00 O ATOM 188 CB ALA A 12 -22.118 -4.951 -6.298 1.00 0.00 C ATOM 0 H ALA A 12 -20.078 -4.870 -8.365 1.00 0.00 H new ATOM 0 HA ALA A 12 -21.553 -2.932 -6.727 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -22.339 -4.754 -5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -23.036 -4.881 -6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -21.699 -5.952 -6.399 1.00 0.00 H new ATOM 194 N LYS A 13 -19.992 -3.583 -4.685 1.00 0.00 N ATOM 195 CA LYS A 13 -18.862 -3.563 -3.762 1.00 0.00 C ATOM 196 C LYS A 13 -19.308 -3.141 -2.366 1.00 0.00 C ATOM 197 O LYS A 13 -18.836 -3.679 -1.365 1.00 0.00 O ATOM 198 CB LYS A 13 -17.776 -2.613 -4.273 1.00 0.00 C ATOM 199 CG LYS A 13 -16.364 -3.133 -4.054 1.00 0.00 C ATOM 200 CD LYS A 13 -15.811 -3.788 -5.310 1.00 0.00 C ATOM 201 CE LYS A 13 -14.713 -4.789 -4.982 1.00 0.00 C ATOM 202 NZ LYS A 13 -13.512 -4.597 -5.841 1.00 0.00 N ATOM 0 H LYS A 13 -20.879 -3.294 -4.272 1.00 0.00 H new ATOM 0 HA LYS A 13 -18.454 -4.572 -3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -17.929 -2.438 -5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -17.882 -1.650 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.714 -2.310 -3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.363 -3.853 -3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.617 -4.293 -5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.418 -3.022 -5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.430 -4.687 -3.934 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.094 -5.802 -5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.787 -5.298 -5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.776 -4.719 -6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.132 -3.639 -5.698 1.00 0.00 H new ATOM 216 N VAL A 14 -20.220 -2.174 -2.308 1.00 0.00 N ATOM 217 CA VAL A 14 -20.733 -1.677 -1.036 1.00 0.00 C ATOM 218 C VAL A 14 -19.662 -0.905 -0.272 1.00 0.00 C ATOM 219 O VAL A 14 -19.763 0.310 -0.099 1.00 0.00 O ATOM 220 CB VAL A 14 -21.257 -2.822 -0.147 1.00 0.00 C ATOM 221 CG1 VAL A 14 -21.980 -2.267 1.070 1.00 0.00 C ATOM 222 CG2 VAL A 14 -22.169 -3.742 -0.944 1.00 0.00 C ATOM 0 H VAL A 14 -20.619 -1.719 -3.129 1.00 0.00 H new ATOM 0 HA VAL A 14 -21.560 -1.008 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 14 -20.405 -3.405 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -22.342 -3.091 1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -21.293 -1.654 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.824 -1.658 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.529 -4.544 -0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -23.017 -3.173 -1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.615 -4.169 -1.780 1.00 0.00 H new ATOM 232 N SER A 15 -18.638 -1.617 0.187 1.00 0.00 N ATOM 233 CA SER A 15 -17.550 -0.996 0.932 1.00 0.00 C ATOM 234 C SER A 15 -16.457 -2.012 1.248 1.00 0.00 C ATOM 235 O SER A 15 -15.850 -1.973 2.319 1.00 0.00 O ATOM 236 CB SER A 15 -18.079 -0.379 2.227 1.00 0.00 C ATOM 237 OG SER A 15 -18.835 -1.320 2.970 1.00 0.00 O ATOM 0 H SER A 15 -18.539 -2.624 0.056 1.00 0.00 H new ATOM 0 HA SER A 15 -17.121 -0.209 0.312 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.245 -0.021 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 15 -18.699 0.487 1.994 1.00 0.00 H new ATOM 0 HG SER A 15 -19.160 -0.901 3.794 1.00 0.00 H new ATOM 243 N GLN A 16 -16.209 -2.920 0.311 1.00 0.00 N ATOM 244 CA GLN A 16 -15.187 -3.944 0.490 1.00 0.00 C ATOM 245 C GLN A 16 -13.803 -3.315 0.631 1.00 0.00 C ATOM 246 O GLN A 16 -12.905 -3.900 1.238 1.00 0.00 O ATOM 247 CB GLN A 16 -15.201 -4.919 -0.691 1.00 0.00 C ATOM 248 CG GLN A 16 -15.106 -6.379 -0.276 1.00 0.00 C ATOM 249 CD GLN A 16 -13.921 -7.088 -0.903 1.00 0.00 C ATOM 250 OE1 GLN A 16 -12.827 -7.108 -0.340 1.00 0.00 O ATOM 251 NE2 GLN A 16 -14.135 -7.673 -2.076 1.00 0.00 N ATOM 0 H GLN A 16 -16.702 -2.968 -0.581 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.411 -4.490 1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.117 -4.771 -1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -14.369 -4.684 -1.355 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -15.028 -6.440 0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -16.024 -6.894 -0.559 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.059 -7.631 -2.506 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -13.375 -8.164 -2.547 1.00 0.00 H new ATOM 260 N ARG A 17 -13.638 -2.123 0.067 1.00 0.00 N ATOM 261 CA ARG A 17 -12.363 -1.416 0.129 1.00 0.00 C ATOM 262 C ARG A 17 -11.925 -1.202 1.575 1.00 0.00 C ATOM 263 O ARG A 17 -10.733 -1.191 1.876 1.00 0.00 O ATOM 264 CB ARG A 17 -12.469 -0.070 -0.592 1.00 0.00 C ATOM 265 CG ARG A 17 -11.522 0.064 -1.773 1.00 0.00 C ATOM 266 CD ARG A 17 -11.700 1.395 -2.482 1.00 0.00 C ATOM 267 NE ARG A 17 -11.175 1.366 -3.845 1.00 0.00 N ATOM 268 CZ ARG A 17 -11.507 2.248 -4.786 1.00 0.00 C ATOM 269 NH1 ARG A 17 -12.361 3.227 -4.517 1.00 0.00 N ATOM 270 NH2 ARG A 17 -10.982 2.151 -5.999 1.00 0.00 N ATOM 0 H ARG A 17 -14.371 -1.626 -0.438 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.611 -2.029 -0.368 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.493 0.066 -0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.265 0.731 0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.493 -0.030 -1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.698 -0.750 -2.476 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.759 1.653 -2.507 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.195 2.177 -1.916 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.516 0.627 -4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.767 3.307 -3.585 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.611 3.899 -5.242 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.324 1.401 -6.211 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.236 2.826 -6.720 1.00 0.00 H new ATOM 284 N GLU A 18 -12.897 -1.028 2.465 1.00 0.00 N ATOM 285 CA GLU A 18 -12.609 -0.811 3.880 1.00 0.00 C ATOM 286 C GLU A 18 -11.822 -1.981 4.464 1.00 0.00 C ATOM 287 O GLU A 18 -10.949 -1.793 5.311 1.00 0.00 O ATOM 288 CB GLU A 18 -13.910 -0.616 4.660 1.00 0.00 C ATOM 289 CG GLU A 18 -13.742 0.208 5.927 1.00 0.00 C ATOM 290 CD GLU A 18 -14.251 1.629 5.771 1.00 0.00 C ATOM 291 OE1 GLU A 18 -14.103 2.194 4.667 1.00 0.00 O ATOM 292 OE2 GLU A 18 -14.796 2.174 6.752 1.00 0.00 O ATOM 0 H GLU A 18 -13.890 -1.033 2.233 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.001 0.089 3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.641 -0.130 4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.316 -1.593 4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.275 -0.277 6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.688 0.232 6.203 1.00 0.00 H new ATOM 299 N GLU A 19 -12.140 -3.189 4.007 1.00 0.00 N ATOM 300 CA GLU A 19 -11.465 -4.389 4.487 1.00 0.00 C ATOM 301 C GLU A 19 -10.082 -4.529 3.856 1.00 0.00 C ATOM 302 O GLU A 19 -9.171 -5.101 4.457 1.00 0.00 O ATOM 303 CB GLU A 19 -12.307 -5.628 4.180 1.00 0.00 C ATOM 304 CG GLU A 19 -13.173 -6.079 5.346 1.00 0.00 C ATOM 305 CD GLU A 19 -14.644 -5.780 5.130 1.00 0.00 C ATOM 306 OE1 GLU A 19 -14.956 -4.708 4.571 1.00 0.00 O ATOM 307 OE2 GLU A 19 -15.483 -6.617 5.522 1.00 0.00 O ATOM 0 H GLU A 19 -12.860 -3.362 3.306 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.342 -4.299 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.947 -5.419 3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.645 -6.445 3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.042 -7.150 5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.836 -5.585 6.257 1.00 0.00 H new ATOM 314 N MET A 20 -9.931 -4.008 2.643 1.00 0.00 N ATOM 315 CA MET A 20 -8.660 -4.081 1.932 1.00 0.00 C ATOM 316 C MET A 20 -7.642 -3.116 2.532 1.00 0.00 C ATOM 317 O MET A 20 -6.503 -3.493 2.808 1.00 0.00 O ATOM 318 CB MET A 20 -8.863 -3.772 0.449 1.00 0.00 C ATOM 319 CG MET A 20 -9.668 -4.831 -0.286 1.00 0.00 C ATOM 320 SD MET A 20 -8.864 -6.446 -0.274 1.00 0.00 S ATOM 321 CE MET A 20 -7.251 -6.026 -0.927 1.00 0.00 C ATOM 0 H MET A 20 -10.673 -3.530 2.132 1.00 0.00 H new ATOM 0 HA MET A 20 -8.274 -5.095 2.034 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.368 -2.811 0.352 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.889 -3.670 -0.029 1.00 0.00 H new ATOM 0 HG2 MET A 20 -10.653 -4.916 0.172 1.00 0.00 H new ATOM 0 HG3 MET A 20 -9.823 -4.514 -1.317 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.798 -6.910 -1.375 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.356 -5.249 -1.684 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.615 -5.663 -0.120 1.00 0.00 H new ATOM 331 N VAL A 21 -8.055 -1.866 2.733 1.00 0.00 N ATOM 332 CA VAL A 21 -7.173 -0.854 3.301 1.00 0.00 C ATOM 333 C VAL A 21 -6.654 -1.285 4.668 1.00 0.00 C ATOM 334 O VAL A 21 -5.474 -1.119 4.977 1.00 0.00 O ATOM 335 CB VAL A 21 -7.883 0.507 3.440 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.357 1.003 2.086 1.00 0.00 C ATOM 337 CG2 VAL A 21 -9.048 0.415 4.415 1.00 0.00 C ATOM 0 H VAL A 21 -8.993 -1.532 2.511 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.336 -0.745 2.612 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.165 1.224 3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.856 1.965 2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.501 1.118 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.055 0.283 1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.533 1.388 4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.767 -0.320 4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.679 0.111 5.395 1.00 0.00 H new ATOM 347 N LYS A 22 -7.545 -1.838 5.482 1.00 0.00 N ATOM 348 CA LYS A 22 -7.172 -2.292 6.813 1.00 0.00 C ATOM 349 C LYS A 22 -6.135 -3.407 6.730 1.00 0.00 C ATOM 350 O LYS A 22 -5.178 -3.438 7.504 1.00 0.00 O ATOM 351 CB LYS A 22 -8.407 -2.777 7.574 1.00 0.00 C ATOM 352 CG LYS A 22 -9.380 -1.665 7.929 1.00 0.00 C ATOM 353 CD LYS A 22 -8.763 -0.674 8.903 1.00 0.00 C ATOM 354 CE LYS A 22 -8.272 0.577 8.192 1.00 0.00 C ATOM 355 NZ LYS A 22 -7.221 1.285 8.973 1.00 0.00 N ATOM 0 H LYS A 22 -8.526 -1.982 5.244 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.734 -1.452 7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.925 -3.523 6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.087 -3.274 8.490 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.685 -1.143 7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.281 -2.095 8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.499 -0.399 9.658 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.931 -1.146 9.426 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.876 0.306 7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.112 1.250 8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.914 2.132 8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.606 1.567 9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.408 0.652 9.115 1.00 0.00 H new ATOM 369 N LYS A 23 -6.332 -4.317 5.781 1.00 0.00 N ATOM 370 CA LYS A 23 -5.413 -5.431 5.589 1.00 0.00 C ATOM 371 C LYS A 23 -4.011 -4.925 5.261 1.00 0.00 C ATOM 372 O LYS A 23 -3.015 -5.564 5.596 1.00 0.00 O ATOM 373 CB LYS A 23 -5.916 -6.350 4.473 1.00 0.00 C ATOM 374 CG LYS A 23 -5.993 -7.814 4.877 1.00 0.00 C ATOM 375 CD LYS A 23 -6.742 -8.641 3.843 1.00 0.00 C ATOM 376 CE LYS A 23 -5.804 -9.560 3.078 1.00 0.00 C ATOM 377 NZ LYS A 23 -4.933 -8.806 2.134 1.00 0.00 N ATOM 0 H LYS A 23 -7.120 -4.304 5.134 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.366 -5.998 6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.905 -6.017 4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.257 -6.254 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.986 -8.211 5.001 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.491 -7.900 5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.511 -9.234 4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.252 -7.977 3.145 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.182 -10.112 3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.388 -10.295 2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.800 -9.362 1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.381 -7.898 1.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.009 -8.631 2.578 1.00 0.00 H new ATOM 391 N CYS A 24 -3.944 -3.770 4.607 1.00 0.00 N ATOM 392 CA CYS A 24 -2.666 -3.173 4.239 1.00 0.00 C ATOM 393 C CYS A 24 -1.892 -2.753 5.485 1.00 0.00 C ATOM 394 O CYS A 24 -0.671 -2.892 5.547 1.00 0.00 O ATOM 395 CB CYS A 24 -2.890 -1.966 3.319 1.00 0.00 C ATOM 396 SG CYS A 24 -1.426 -0.930 3.064 1.00 0.00 S ATOM 0 H CYS A 24 -4.760 -3.229 4.321 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.078 -3.918 3.703 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.239 -2.324 2.350 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.686 -1.350 3.737 1.00 0.00 H new ATOM 0 HG CYS A 24 -0.880 -1.224 1.921 1.00 0.00 H new ATOM 402 N LEU A 25 -2.612 -2.241 6.476 1.00 0.00 N ATOM 403 CA LEU A 25 -1.994 -1.803 7.721 1.00 0.00 C ATOM 404 C LEU A 25 -1.299 -2.965 8.423 1.00 0.00 C ATOM 405 O LEU A 25 -0.189 -2.819 8.933 1.00 0.00 O ATOM 406 CB LEU A 25 -3.043 -1.187 8.647 1.00 0.00 C ATOM 407 CG LEU A 25 -2.492 -0.185 9.664 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.375 1.049 9.732 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.366 -0.831 11.035 1.00 0.00 C ATOM 0 H LEU A 25 -3.624 -2.119 6.441 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.245 -1.049 7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.797 -0.688 8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.548 -1.989 9.185 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.499 0.124 9.338 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.966 1.749 10.461 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.411 1.525 8.752 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.382 0.760 10.032 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.973 -0.104 11.745 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.347 -1.170 11.369 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.688 -1.683 10.975 1.00 0.00 H new ATOM 421 N GLY A 26 -1.962 -4.117 8.451 1.00 0.00 N ATOM 422 CA GLY A 26 -1.392 -5.285 9.098 1.00 0.00 C ATOM 423 C GLY A 26 -0.290 -5.933 8.280 1.00 0.00 C ATOM 424 O GLY A 26 0.774 -6.257 8.808 1.00 0.00 O ATOM 0 H GLY A 26 -2.883 -4.263 8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.994 -4.997 10.071 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.181 -6.015 9.279 1.00 0.00 H new ATOM 428 N GLU A 27 -0.548 -6.129 6.991 1.00 0.00 N ATOM 429 CA GLU A 27 0.427 -6.749 6.100 1.00 0.00 C ATOM 430 C GLU A 27 1.729 -5.952 6.069 1.00 0.00 C ATOM 431 O GLU A 27 2.812 -6.506 6.263 1.00 0.00 O ATOM 432 CB GLU A 27 -0.146 -6.867 4.687 1.00 0.00 C ATOM 433 CG GLU A 27 -1.074 -8.057 4.504 1.00 0.00 C ATOM 434 CD GLU A 27 -1.583 -8.185 3.082 1.00 0.00 C ATOM 435 OE1 GLU A 27 -0.877 -8.794 2.252 1.00 0.00 O ATOM 436 OE2 GLU A 27 -2.688 -7.676 2.800 1.00 0.00 O ATOM 0 H GLU A 27 -1.424 -5.867 6.540 1.00 0.00 H new ATOM 0 HA GLU A 27 0.645 -7.746 6.482 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.689 -5.953 4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.676 -6.945 3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.547 -8.970 4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.922 -7.960 5.182 1.00 0.00 H new ATOM 443 N LEU A 28 1.616 -4.652 5.818 1.00 0.00 N ATOM 444 CA LEU A 28 2.786 -3.783 5.757 1.00 0.00 C ATOM 445 C LEU A 28 3.588 -3.850 7.053 1.00 0.00 C ATOM 446 O LEU A 28 4.812 -3.724 7.042 1.00 0.00 O ATOM 447 CB LEU A 28 2.366 -2.338 5.475 1.00 0.00 C ATOM 448 CG LEU A 28 2.189 -1.998 3.993 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.862 -0.523 3.823 1.00 0.00 C ATOM 450 CD2 LEU A 28 3.442 -2.363 3.207 1.00 0.00 C ATOM 0 H LEU A 28 0.728 -4.178 5.654 1.00 0.00 H new ATOM 0 HA LEU A 28 3.420 -4.133 4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.428 -2.140 5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.113 -1.668 5.900 1.00 0.00 H new ATOM 0 HG LEU A 28 1.357 -2.583 3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.739 -0.297 2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.938 -0.292 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.674 0.079 4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.297 -2.114 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.293 -1.805 3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.634 -3.432 3.304 1.00 0.00 H new ATOM 462 N THR A 29 2.893 -4.057 8.169 1.00 0.00 N ATOM 463 CA THR A 29 3.552 -4.147 9.467 1.00 0.00 C ATOM 464 C THR A 29 4.558 -5.293 9.476 1.00 0.00 C ATOM 465 O THR A 29 5.656 -5.165 10.015 1.00 0.00 O ATOM 466 CB THR A 29 2.519 -4.348 10.579 1.00 0.00 C ATOM 467 OG1 THR A 29 1.585 -3.284 10.594 1.00 0.00 O ATOM 468 CG2 THR A 29 3.135 -4.437 11.959 1.00 0.00 C ATOM 0 H THR A 29 1.879 -4.165 8.200 1.00 0.00 H new ATOM 0 HA THR A 29 4.083 -3.212 9.647 1.00 0.00 H new ATOM 0 HB THR A 29 2.033 -5.297 10.353 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.888 -3.451 9.926 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.348 -4.579 12.700 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.825 -5.280 11.996 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.676 -3.516 12.176 1.00 0.00 H new ATOM 476 N GLU A 30 4.172 -6.412 8.870 1.00 0.00 N ATOM 477 CA GLU A 30 5.040 -7.581 8.802 1.00 0.00 C ATOM 478 C GLU A 30 6.324 -7.257 8.046 1.00 0.00 C ATOM 479 O GLU A 30 7.422 -7.379 8.588 1.00 0.00 O ATOM 480 CB GLU A 30 4.313 -8.744 8.123 1.00 0.00 C ATOM 481 CG GLU A 30 2.931 -9.012 8.694 1.00 0.00 C ATOM 482 CD GLU A 30 2.572 -10.486 8.685 1.00 0.00 C ATOM 483 OE1 GLU A 30 2.828 -11.152 7.660 1.00 0.00 O ATOM 484 OE2 GLU A 30 2.036 -10.973 9.702 1.00 0.00 O ATOM 0 H GLU A 30 3.265 -6.533 8.420 1.00 0.00 H new ATOM 0 HA GLU A 30 5.300 -7.871 9.820 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.222 -8.533 7.058 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.918 -9.646 8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.885 -8.637 9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.190 -8.458 8.118 1.00 0.00 H new ATOM 491 N VAL A 31 6.179 -6.842 6.791 1.00 0.00 N ATOM 492 CA VAL A 31 7.330 -6.497 5.960 1.00 0.00 C ATOM 493 C VAL A 31 8.212 -5.461 6.653 1.00 0.00 C ATOM 494 O VAL A 31 9.438 -5.501 6.543 1.00 0.00 O ATOM 495 CB VAL A 31 6.892 -5.952 4.587 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.902 -4.816 4.761 1.00 0.00 C ATOM 497 CG2 VAL A 31 8.095 -5.501 3.768 1.00 0.00 C ATOM 0 H VAL A 31 5.277 -6.736 6.327 1.00 0.00 H new ATOM 0 HA VAL A 31 7.900 -7.414 5.808 1.00 0.00 H new ATOM 0 HB VAL A 31 6.401 -6.758 4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.602 -4.442 3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.024 -5.177 5.296 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.368 -4.011 5.330 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.757 -5.121 2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.625 -4.713 4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.765 -6.346 3.610 1.00 0.00 H new ATOM 507 N CYS A 32 7.579 -4.536 7.364 1.00 0.00 N ATOM 508 CA CYS A 32 8.305 -3.488 8.073 1.00 0.00 C ATOM 509 C CYS A 32 9.286 -4.089 9.077 1.00 0.00 C ATOM 510 O CYS A 32 10.481 -3.797 9.041 1.00 0.00 O ATOM 511 CB CYS A 32 7.325 -2.562 8.793 1.00 0.00 C ATOM 512 SG CYS A 32 6.670 -1.233 7.758 1.00 0.00 S ATOM 0 H CYS A 32 6.565 -4.490 7.465 1.00 0.00 H new ATOM 0 HA CYS A 32 8.870 -2.911 7.341 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.493 -3.155 9.173 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.824 -2.123 9.657 1.00 0.00 H new ATOM 0 HG CYS A 32 5.672 -1.682 7.055 1.00 0.00 H new ATOM 518 N LYS A 33 8.774 -4.931 9.969 1.00 0.00 N ATOM 519 CA LYS A 33 9.604 -5.574 10.982 1.00 0.00 C ATOM 520 C LYS A 33 10.735 -6.370 10.339 1.00 0.00 C ATOM 521 O LYS A 33 11.896 -6.250 10.733 1.00 0.00 O ATOM 522 CB LYS A 33 8.754 -6.497 11.859 1.00 0.00 C ATOM 523 CG LYS A 33 7.510 -5.829 12.418 1.00 0.00 C ATOM 524 CD LYS A 33 7.203 -6.313 13.826 1.00 0.00 C ATOM 525 CE LYS A 33 6.120 -5.472 14.481 1.00 0.00 C ATOM 526 NZ LYS A 33 6.345 -5.319 15.945 1.00 0.00 N ATOM 0 H LYS A 33 7.787 -5.184 10.011 1.00 0.00 H new ATOM 0 HA LYS A 33 10.041 -4.792 11.603 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.457 -7.368 11.274 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.363 -6.861 12.686 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.649 -4.748 12.426 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.661 -6.037 11.767 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.885 -7.355 13.792 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.109 -6.276 14.430 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.092 -4.488 14.013 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.148 -5.934 14.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.585 -4.739 16.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.346 -6.256 16.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.261 -4.855 16.109 1.00 0.00 H new ATOM 540 N SER A 34 10.389 -7.184 9.345 1.00 0.00 N ATOM 541 CA SER A 34 11.375 -8.003 8.646 1.00 0.00 C ATOM 542 C SER A 34 12.505 -7.144 8.085 1.00 0.00 C ATOM 543 O SER A 34 13.633 -7.610 7.925 1.00 0.00 O ATOM 544 CB SER A 34 10.707 -8.784 7.514 1.00 0.00 C ATOM 545 OG SER A 34 9.469 -9.332 7.934 1.00 0.00 O ATOM 0 H SER A 34 9.433 -7.294 9.006 1.00 0.00 H new ATOM 0 HA SER A 34 11.800 -8.703 9.365 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.546 -8.126 6.660 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.368 -9.584 7.180 1.00 0.00 H new ATOM 0 HG SER A 34 8.796 -8.621 7.981 1.00 0.00 H new ATOM 551 N LEU A 35 12.195 -5.885 7.789 1.00 0.00 N ATOM 552 CA LEU A 35 13.184 -4.961 7.247 1.00 0.00 C ATOM 553 C LEU A 35 14.040 -4.364 8.359 1.00 0.00 C ATOM 554 O LEU A 35 15.202 -4.023 8.145 1.00 0.00 O ATOM 555 CB LEU A 35 12.494 -3.843 6.465 1.00 0.00 C ATOM 556 CG LEU A 35 11.955 -4.248 5.092 1.00 0.00 C ATOM 557 CD1 LEU A 35 11.349 -3.047 4.379 1.00 0.00 C ATOM 558 CD2 LEU A 35 13.061 -4.872 4.252 1.00 0.00 C ATOM 0 H LEU A 35 11.267 -5.482 7.916 1.00 0.00 H new ATOM 0 HA LEU A 35 13.834 -5.520 6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.668 -3.459 7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.200 -3.023 6.333 1.00 0.00 H new ATOM 0 HG LEU A 35 11.170 -4.991 5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.971 -3.355 3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.530 -2.645 4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.112 -2.280 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.662 -5.155 3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.867 -4.151 4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.446 -5.757 4.758 1.00 0.00 H new ATOM 570 N GLY A 36 13.457 -4.241 9.548 1.00 0.00 N ATOM 571 CA GLY A 36 14.182 -3.683 10.673 1.00 0.00 C ATOM 572 C GLY A 36 15.172 -4.661 11.276 1.00 0.00 C ATOM 573 O GLY A 36 16.156 -4.255 11.896 1.00 0.00 O ATOM 0 H GLY A 36 12.497 -4.518 9.751 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.713 -2.788 10.349 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.472 -3.373 11.439 1.00 0.00 H new ATOM 577 N LYS A 37 14.915 -5.951 11.093 1.00 0.00 N ATOM 578 CA LYS A 37 15.792 -6.988 11.626 1.00 0.00 C ATOM 579 C LYS A 37 17.034 -7.154 10.756 1.00 0.00 C ATOM 580 O LYS A 37 18.104 -7.511 11.247 1.00 0.00 O ATOM 581 CB LYS A 37 15.042 -8.318 11.722 1.00 0.00 C ATOM 582 CG LYS A 37 14.585 -8.858 10.378 1.00 0.00 C ATOM 583 CD LYS A 37 14.236 -10.334 10.459 1.00 0.00 C ATOM 584 CE LYS A 37 14.703 -11.086 9.223 1.00 0.00 C ATOM 585 NZ LYS A 37 13.606 -11.266 8.233 1.00 0.00 N ATOM 0 H LYS A 37 14.107 -6.304 10.580 1.00 0.00 H new ATOM 0 HA LYS A 37 16.109 -6.683 12.623 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.687 -9.055 12.200 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.173 -8.189 12.367 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.716 -8.296 10.036 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.372 -8.709 9.639 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.696 -10.769 11.346 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.158 -10.448 10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.526 -10.543 8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.090 -12.062 9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.966 -11.783 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.831 -11.806 8.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.253 -10.335 7.933 1.00 0.00 H new ATOM 599 N VAL A 38 16.886 -6.895 9.461 1.00 0.00 N ATOM 600 CA VAL A 38 17.996 -7.018 8.524 1.00 0.00 C ATOM 601 C VAL A 38 18.906 -5.795 8.580 1.00 0.00 C ATOM 602 O VAL A 38 20.121 -5.905 8.416 1.00 0.00 O ATOM 603 CB VAL A 38 17.500 -7.207 7.082 1.00 0.00 C ATOM 604 CG1 VAL A 38 16.931 -8.604 6.890 1.00 0.00 C ATOM 605 CG2 VAL A 38 16.468 -6.150 6.736 1.00 0.00 C ATOM 0 H VAL A 38 16.007 -6.598 9.036 1.00 0.00 H new ATOM 0 HA VAL A 38 18.560 -7.901 8.824 1.00 0.00 H new ATOM 0 HB VAL A 38 18.347 -7.092 6.406 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.585 -8.718 5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.705 -9.344 7.097 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.095 -8.753 7.573 1.00 0.00 H new ATOM 0 HG21 VAL A 38 16.126 -6.297 5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.621 -6.232 7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.915 -5.160 6.831 1.00 0.00 H new ATOM 615 N PHE A 39 18.309 -4.630 8.809 1.00 0.00 N ATOM 616 CA PHE A 39 19.066 -3.385 8.885 1.00 0.00 C ATOM 617 C PHE A 39 19.510 -3.100 10.316 1.00 0.00 C ATOM 618 O PHE A 39 20.517 -2.427 10.542 1.00 0.00 O ATOM 619 CB PHE A 39 18.229 -2.221 8.357 1.00 0.00 C ATOM 620 CG PHE A 39 18.234 -2.107 6.859 1.00 0.00 C ATOM 621 CD1 PHE A 39 19.394 -1.761 6.184 1.00 0.00 C ATOM 622 CD2 PHE A 39 17.083 -2.345 6.128 1.00 0.00 C ATOM 623 CE1 PHE A 39 19.404 -1.655 4.806 1.00 0.00 C ATOM 624 CE2 PHE A 39 17.087 -2.242 4.750 1.00 0.00 C ATOM 625 CZ PHE A 39 18.249 -1.896 4.088 1.00 0.00 C ATOM 0 H PHE A 39 17.304 -4.522 8.945 1.00 0.00 H new ATOM 0 HA PHE A 39 19.956 -3.494 8.265 1.00 0.00 H new ATOM 0 HB2 PHE A 39 17.201 -2.338 8.701 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.604 -1.291 8.785 1.00 0.00 H new ATOM 0 HD1 PHE A 39 20.300 -1.572 6.741 1.00 0.00 H new ATOM 0 HD2 PHE A 39 16.171 -2.614 6.641 1.00 0.00 H new ATOM 0 HE1 PHE A 39 20.314 -1.384 4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.183 -2.432 4.191 1.00 0.00 H new ATOM 0 HZ PHE A 39 18.254 -1.814 3.011 1.00 0.00 H new ATOM 635 N GLY A 40 18.754 -3.614 11.279 1.00 0.00 N ATOM 636 CA GLY A 40 19.086 -3.401 12.677 1.00 0.00 C ATOM 637 C GLY A 40 18.359 -2.211 13.272 1.00 0.00 C ATOM 638 O GLY A 40 18.839 -1.599 14.227 1.00 0.00 O ATOM 0 H GLY A 40 17.917 -4.174 11.118 1.00 0.00 H new ATOM 0 HA2 GLY A 40 18.837 -4.296 13.247 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.161 -3.251 12.773 1.00 0.00 H new ATOM 642 N VAL A 41 17.201 -1.883 12.710 1.00 0.00 N ATOM 643 CA VAL A 41 16.407 -0.760 13.193 1.00 0.00 C ATOM 644 C VAL A 41 15.113 -1.243 13.840 1.00 0.00 C ATOM 645 O VAL A 41 14.808 -2.436 13.825 1.00 0.00 O ATOM 646 CB VAL A 41 16.066 0.221 12.055 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.328 0.876 11.517 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.311 -0.490 10.943 1.00 0.00 C ATOM 0 H VAL A 41 16.791 -2.379 11.919 1.00 0.00 H new ATOM 0 HA VAL A 41 17.012 -0.241 13.937 1.00 0.00 H new ATOM 0 HB VAL A 41 15.422 1.003 12.457 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.066 1.565 10.714 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.824 1.424 12.318 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.000 0.109 11.132 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.079 0.220 10.149 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.927 -1.295 10.542 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.385 -0.905 11.340 1.00 0.00 H new ATOM 658 N HIS A 42 14.357 -0.311 14.407 1.00 0.00 N ATOM 659 CA HIS A 42 13.096 -0.644 15.061 1.00 0.00 C ATOM 660 C HIS A 42 11.942 -0.629 14.064 1.00 0.00 C ATOM 661 O HIS A 42 12.050 -0.054 12.982 1.00 0.00 O ATOM 662 CB HIS A 42 12.813 0.338 16.200 1.00 0.00 C ATOM 663 CG HIS A 42 13.485 -0.028 17.487 1.00 0.00 C ATOM 664 ND1 HIS A 42 14.349 0.816 18.152 1.00 0.00 N ATOM 665 CD2 HIS A 42 13.415 -1.155 18.236 1.00 0.00 C ATOM 666 CE1 HIS A 42 14.781 0.225 19.252 1.00 0.00 C ATOM 667 NE2 HIS A 42 14.229 -0.971 19.326 1.00 0.00 N ATOM 0 H HIS A 42 14.594 0.681 14.428 1.00 0.00 H new ATOM 0 HA HIS A 42 13.184 -1.650 15.470 1.00 0.00 H new ATOM 0 HB2 HIS A 42 13.139 1.334 15.900 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.737 0.391 16.364 1.00 0.00 H new ATOM 0 HD2 HIS A 42 12.828 -2.035 18.016 1.00 0.00 H new ATOM 0 HE1 HIS A 42 15.469 0.649 19.969 1.00 0.00 H new ATOM 0 HE2 HIS A 42 14.382 -1.649 20.072 1.00 0.00 H new ATOM 676 N TYR A 43 10.836 -1.265 14.440 1.00 0.00 N ATOM 677 CA TYR A 43 9.655 -1.327 13.586 1.00 0.00 C ATOM 678 C TYR A 43 9.180 0.077 13.216 1.00 0.00 C ATOM 679 O TYR A 43 8.702 0.310 12.105 1.00 0.00 O ATOM 680 CB TYR A 43 8.536 -2.098 14.295 1.00 0.00 C ATOM 681 CG TYR A 43 7.175 -1.949 13.651 1.00 0.00 C ATOM 682 CD1 TYR A 43 6.995 -2.188 12.294 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.070 -1.567 14.402 1.00 0.00 C ATOM 684 CE1 TYR A 43 5.753 -2.053 11.705 1.00 0.00 C ATOM 685 CE2 TYR A 43 4.824 -1.431 13.820 1.00 0.00 C ATOM 686 CZ TYR A 43 4.671 -1.673 12.472 1.00 0.00 C ATOM 687 OH TYR A 43 3.433 -1.536 11.887 1.00 0.00 O ATOM 0 H TYR A 43 10.734 -1.746 15.334 1.00 0.00 H new ATOM 0 HA TYR A 43 9.919 -1.850 12.667 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.799 -3.155 14.321 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.475 -1.759 15.329 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.840 -2.484 11.690 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.187 -1.373 15.458 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.629 -2.244 10.649 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.975 -1.137 14.418 1.00 0.00 H new ATOM 0 HH TYR A 43 2.736 -1.740 12.545 1.00 0.00 H new ATOM 697 N PHE A 44 9.317 1.008 14.153 1.00 0.00 N ATOM 698 CA PHE A 44 8.903 2.388 13.926 1.00 0.00 C ATOM 699 C PHE A 44 9.871 3.099 12.985 1.00 0.00 C ATOM 700 O PHE A 44 9.492 4.030 12.274 1.00 0.00 O ATOM 701 CB PHE A 44 8.816 3.143 15.252 1.00 0.00 C ATOM 702 CG PHE A 44 7.475 3.030 15.920 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.311 3.267 15.210 1.00 0.00 C ATOM 704 CD2 PHE A 44 7.380 2.685 17.259 1.00 0.00 C ATOM 705 CE1 PHE A 44 5.076 3.163 15.822 1.00 0.00 C ATOM 706 CE2 PHE A 44 6.149 2.580 17.877 1.00 0.00 C ATOM 707 CZ PHE A 44 4.994 2.819 17.157 1.00 0.00 C ATOM 0 H PHE A 44 9.711 0.833 15.077 1.00 0.00 H new ATOM 0 HA PHE A 44 7.917 2.372 13.461 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.583 2.764 15.928 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.038 4.196 15.077 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.368 3.536 14.166 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.279 2.496 17.826 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.175 3.351 15.256 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.089 2.312 18.921 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.030 2.737 17.637 1.00 0.00 H new ATOM 717 N ASN A 45 11.125 2.653 12.986 1.00 0.00 N ATOM 718 CA ASN A 45 12.149 3.246 12.132 1.00 0.00 C ATOM 719 C ASN A 45 11.751 3.164 10.662 1.00 0.00 C ATOM 720 O ASN A 45 11.987 4.096 9.894 1.00 0.00 O ATOM 721 CB ASN A 45 13.490 2.544 12.349 1.00 0.00 C ATOM 722 CG ASN A 45 14.665 3.395 11.908 1.00 0.00 C ATOM 723 OD1 ASN A 45 14.783 3.752 10.737 1.00 0.00 O ATOM 724 ND2 ASN A 45 15.543 3.725 12.850 1.00 0.00 N ATOM 0 H ASN A 45 11.455 1.884 13.568 1.00 0.00 H new ATOM 0 HA ASN A 45 12.247 4.297 12.403 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.601 2.296 13.405 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.498 1.604 11.798 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.354 4.297 12.614 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.406 3.407 13.809 1.00 0.00 H new ATOM 731 N ILE A 46 11.145 2.046 10.276 1.00 0.00 N ATOM 732 CA ILE A 46 10.715 1.849 8.897 1.00 0.00 C ATOM 733 C ILE A 46 9.612 2.833 8.524 1.00 0.00 C ATOM 734 O ILE A 46 9.813 3.722 7.700 1.00 0.00 O ATOM 735 CB ILE A 46 10.203 0.415 8.662 1.00 0.00 C ATOM 736 CG1 ILE A 46 11.210 -0.607 9.197 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.937 0.180 7.183 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.586 -0.481 8.580 1.00 0.00 C ATOM 0 H ILE A 46 10.941 1.264 10.898 1.00 0.00 H new ATOM 0 HA ILE A 46 11.588 2.021 8.267 1.00 0.00 H new ATOM 0 HB ILE A 46 9.265 0.290 9.203 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.293 -0.491 10.278 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.829 -1.611 9.013 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.576 -0.838 7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.185 0.886 6.832 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.859 0.323 6.620 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.246 -1.236 9.006 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.516 -0.627 7.502 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.988 0.511 8.787 1.00 0.00 H new ATOM 750 N PHE A 47 8.446 2.663 9.143 1.00 0.00 N ATOM 751 CA PHE A 47 7.306 3.533 8.882 1.00 0.00 C ATOM 752 C PHE A 47 6.563 3.851 10.175 1.00 0.00 C ATOM 753 O PHE A 47 6.573 3.061 11.119 1.00 0.00 O ATOM 754 CB PHE A 47 6.348 2.876 7.883 1.00 0.00 C ATOM 755 CG PHE A 47 6.781 2.970 6.440 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.675 3.944 6.018 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.283 2.079 5.504 1.00 0.00 C ATOM 758 CE1 PHE A 47 8.062 4.024 4.694 1.00 0.00 C ATOM 759 CE2 PHE A 47 6.666 2.154 4.178 1.00 0.00 C ATOM 760 CZ PHE A 47 7.558 3.129 3.773 1.00 0.00 C ATOM 0 H PHE A 47 8.268 1.930 9.829 1.00 0.00 H new ATOM 0 HA PHE A 47 7.682 4.463 8.455 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.235 1.824 8.147 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.366 3.338 7.984 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.073 4.648 6.733 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.586 1.315 5.814 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.759 4.787 4.380 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.269 1.452 3.460 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.860 3.190 2.738 1.00 0.00 H new ATOM 770 N ASN A 48 5.918 5.012 10.209 1.00 0.00 N ATOM 771 CA ASN A 48 5.168 5.435 11.385 1.00 0.00 C ATOM 772 C ASN A 48 3.685 5.116 11.224 1.00 0.00 C ATOM 773 O ASN A 48 3.219 4.826 10.122 1.00 0.00 O ATOM 774 CB ASN A 48 5.355 6.934 11.623 1.00 0.00 C ATOM 775 CG ASN A 48 6.779 7.285 12.008 1.00 0.00 C ATOM 776 OD1 ASN A 48 7.657 6.423 12.035 1.00 0.00 O ATOM 777 ND2 ASN A 48 7.015 8.557 12.308 1.00 0.00 N ATOM 0 H ASN A 48 5.900 5.677 9.435 1.00 0.00 H new ATOM 0 HA ASN A 48 5.550 4.887 12.247 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.081 7.479 10.720 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.677 7.261 12.411 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.954 8.852 12.574 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.257 9.238 12.272 1.00 0.00 H new ATOM 784 N THR A 49 2.949 5.171 12.329 1.00 0.00 N ATOM 785 CA THR A 49 1.517 4.886 12.312 1.00 0.00 C ATOM 786 C THR A 49 0.810 5.707 11.236 1.00 0.00 C ATOM 787 O THR A 49 -0.192 5.271 10.668 1.00 0.00 O ATOM 788 CB THR A 49 0.902 5.181 13.680 1.00 0.00 C ATOM 789 OG1 THR A 49 1.692 4.625 14.716 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.503 4.640 13.834 1.00 0.00 C ATOM 0 H THR A 49 3.320 5.410 13.249 1.00 0.00 H new ATOM 0 HA THR A 49 1.385 3.829 12.081 1.00 0.00 H new ATOM 0 HB THR A 49 0.865 6.268 13.751 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.283 4.826 15.583 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.880 4.884 14.827 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.150 5.088 13.080 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.492 3.558 13.706 1.00 0.00 H new ATOM 798 N VAL A 50 1.340 6.893 10.961 1.00 0.00 N ATOM 799 CA VAL A 50 0.763 7.774 9.953 1.00 0.00 C ATOM 800 C VAL A 50 0.996 7.233 8.547 1.00 0.00 C ATOM 801 O VAL A 50 0.192 7.459 7.641 1.00 0.00 O ATOM 802 CB VAL A 50 1.351 9.193 10.043 1.00 0.00 C ATOM 803 CG1 VAL A 50 0.979 9.847 11.364 1.00 0.00 C ATOM 804 CG2 VAL A 50 2.857 9.151 9.866 1.00 0.00 C ATOM 0 H VAL A 50 2.169 7.267 11.422 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.308 7.817 10.151 1.00 0.00 H new ATOM 0 HB VAL A 50 0.927 9.795 9.239 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.405 10.849 11.406 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.106 9.910 11.446 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.371 9.251 12.188 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.259 10.162 9.932 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.298 8.533 10.648 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.097 8.728 8.891 1.00 0.00 H new ATOM 814 N THR A 51 2.104 6.522 8.369 1.00 0.00 N ATOM 815 CA THR A 51 2.449 5.952 7.071 1.00 0.00 C ATOM 816 C THR A 51 1.540 4.774 6.728 1.00 0.00 C ATOM 817 O THR A 51 0.862 4.782 5.701 1.00 0.00 O ATOM 818 CB THR A 51 3.912 5.502 7.066 1.00 0.00 C ATOM 819 OG1 THR A 51 4.775 6.608 7.266 1.00 0.00 O ATOM 820 CG2 THR A 51 4.329 4.822 5.779 1.00 0.00 C ATOM 0 H THR A 51 2.779 6.326 9.108 1.00 0.00 H new ATOM 0 HA THR A 51 2.307 6.724 6.314 1.00 0.00 H new ATOM 0 HB THR A 51 3.994 4.781 7.879 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.261 7.440 7.202 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.377 4.530 5.845 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.714 3.936 5.620 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.196 5.510 4.944 1.00 0.00 H new ATOM 828 N LEU A 52 1.538 3.761 7.589 1.00 0.00 N ATOM 829 CA LEU A 52 0.718 2.572 7.373 1.00 0.00 C ATOM 830 C LEU A 52 -0.735 2.944 7.088 1.00 0.00 C ATOM 831 O LEU A 52 -1.329 2.463 6.123 1.00 0.00 O ATOM 832 CB LEU A 52 0.791 1.650 8.592 1.00 0.00 C ATOM 833 CG LEU A 52 2.201 1.206 8.986 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.256 0.853 10.464 1.00 0.00 C ATOM 835 CD2 LEU A 52 2.642 0.023 8.137 1.00 0.00 C ATOM 0 H LEU A 52 2.095 3.739 8.443 1.00 0.00 H new ATOM 0 HA LEU A 52 1.112 2.049 6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.337 2.160 9.442 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.190 0.763 8.394 1.00 0.00 H new ATOM 0 HG LEU A 52 2.887 2.034 8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.267 0.539 10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.982 1.726 11.057 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.559 0.041 10.670 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.647 -0.280 8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.954 -0.809 8.287 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.642 0.310 7.085 1.00 0.00 H new ATOM 847 N LYS A 53 -1.302 3.799 7.932 1.00 0.00 N ATOM 848 CA LYS A 53 -2.686 4.229 7.767 1.00 0.00 C ATOM 849 C LYS A 53 -2.891 4.885 6.405 1.00 0.00 C ATOM 850 O LYS A 53 -3.938 4.722 5.778 1.00 0.00 O ATOM 851 CB LYS A 53 -3.080 5.202 8.881 1.00 0.00 C ATOM 852 CG LYS A 53 -2.315 6.516 8.842 1.00 0.00 C ATOM 853 CD LYS A 53 -2.814 7.482 9.905 1.00 0.00 C ATOM 854 CE LYS A 53 -2.457 7.005 11.304 1.00 0.00 C ATOM 855 NZ LYS A 53 -3.564 7.241 12.271 1.00 0.00 N ATOM 0 H LYS A 53 -0.826 4.208 8.736 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.323 3.347 7.826 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.147 5.411 8.809 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.913 4.723 9.846 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.253 6.324 8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.420 6.971 7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.381 8.468 9.734 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.895 7.590 9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.221 5.941 11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.560 7.522 11.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.281 6.902 13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.773 8.259 12.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.413 6.727 11.959 1.00 0.00 H new ATOM 869 N LYS A 54 -1.882 5.623 5.952 1.00 0.00 N ATOM 870 CA LYS A 54 -1.949 6.299 4.662 1.00 0.00 C ATOM 871 C LYS A 54 -1.965 5.287 3.520 1.00 0.00 C ATOM 872 O LYS A 54 -2.910 5.235 2.736 1.00 0.00 O ATOM 873 CB LYS A 54 -0.765 7.255 4.502 1.00 0.00 C ATOM 874 CG LYS A 54 -1.161 8.638 4.014 1.00 0.00 C ATOM 875 CD LYS A 54 -1.934 9.404 5.075 1.00 0.00 C ATOM 876 CE LYS A 54 -2.063 10.877 4.719 1.00 0.00 C ATOM 877 NZ LYS A 54 -1.784 11.757 5.887 1.00 0.00 N ATOM 0 H LYS A 54 -1.009 5.768 6.459 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.875 6.873 4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.253 7.350 5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.052 6.822 3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.267 9.198 3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.769 8.547 3.114 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.927 8.968 5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.430 9.304 6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.372 11.117 3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.069 11.074 4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.882 12.753 5.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.459 11.546 6.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.815 11.588 6.226 1.00 0.00 H new ATOM 891 N LEU A 55 -0.910 4.480 3.437 1.00 0.00 N ATOM 892 CA LEU A 55 -0.802 3.465 2.396 1.00 0.00 C ATOM 893 C LEU A 55 -1.997 2.516 2.411 1.00 0.00 C ATOM 894 O LEU A 55 -2.306 1.880 1.403 1.00 0.00 O ATOM 895 CB LEU A 55 0.501 2.676 2.552 1.00 0.00 C ATOM 896 CG LEU A 55 1.709 3.283 1.835 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.650 3.972 2.811 1.00 0.00 C ATOM 898 CD2 LEU A 55 2.456 2.216 1.055 1.00 0.00 C ATOM 0 H LEU A 55 -0.118 4.510 4.079 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.795 3.978 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.732 2.590 3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.344 1.665 2.177 1.00 0.00 H new ATOM 0 HG LEU A 55 1.335 4.035 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.496 4.391 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.118 4.772 3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.011 3.248 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.312 2.666 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.803 1.441 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.790 1.774 0.314 1.00 0.00 H new ATOM 910 N ALA A 56 -2.670 2.426 3.553 1.00 0.00 N ATOM 911 CA ALA A 56 -3.831 1.556 3.681 1.00 0.00 C ATOM 912 C ALA A 56 -5.039 2.147 2.966 1.00 0.00 C ATOM 913 O ALA A 56 -5.656 1.491 2.128 1.00 0.00 O ATOM 914 CB ALA A 56 -4.150 1.312 5.150 1.00 0.00 C ATOM 0 H ALA A 56 -2.432 2.943 4.400 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.593 0.602 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.020 0.660 5.230 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.296 0.838 5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.363 2.263 5.639 1.00 0.00 H new ATOM 920 N GLU A 57 -5.371 3.390 3.300 1.00 0.00 N ATOM 921 CA GLU A 57 -6.507 4.067 2.684 1.00 0.00 C ATOM 922 C GLU A 57 -6.345 4.133 1.168 1.00 0.00 C ATOM 923 O GLU A 57 -7.285 3.858 0.421 1.00 0.00 O ATOM 924 CB GLU A 57 -6.657 5.482 3.250 1.00 0.00 C ATOM 925 CG GLU A 57 -6.470 5.560 4.757 1.00 0.00 C ATOM 926 CD GLU A 57 -7.592 6.312 5.446 1.00 0.00 C ATOM 927 OE1 GLU A 57 -8.630 5.687 5.747 1.00 0.00 O ATOM 928 OE2 GLU A 57 -7.431 7.528 5.688 1.00 0.00 O ATOM 0 H GLU A 57 -4.871 3.948 3.992 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.405 3.493 2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.930 6.136 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.646 5.863 2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.410 4.551 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.521 6.049 4.977 1.00 0.00 H new ATOM 935 N SER A 58 -5.148 4.497 0.721 1.00 0.00 N ATOM 936 CA SER A 58 -4.860 4.599 -0.706 1.00 0.00 C ATOM 937 C SER A 58 -5.055 3.253 -1.396 1.00 0.00 C ATOM 938 O SER A 58 -5.791 3.147 -2.377 1.00 0.00 O ATOM 939 CB SER A 58 -3.431 5.096 -0.925 1.00 0.00 C ATOM 940 OG SER A 58 -3.400 6.503 -1.094 1.00 0.00 O ATOM 0 H SER A 58 -4.360 4.727 1.327 1.00 0.00 H new ATOM 0 HA SER A 58 -5.556 5.315 -1.142 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.811 4.815 -0.074 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.005 4.612 -1.804 1.00 0.00 H new ATOM 0 HG SER A 58 -2.475 6.796 -1.231 1.00 0.00 H new ATOM 946 N LEU A 59 -4.392 2.226 -0.874 1.00 0.00 N ATOM 947 CA LEU A 59 -4.491 0.882 -1.436 1.00 0.00 C ATOM 948 C LEU A 59 -3.861 0.820 -2.825 1.00 0.00 C ATOM 949 O LEU A 59 -4.406 0.199 -3.738 1.00 0.00 O ATOM 950 CB LEU A 59 -5.957 0.444 -1.509 1.00 0.00 C ATOM 951 CG LEU A 59 -6.197 -1.049 -1.280 1.00 0.00 C ATOM 952 CD1 LEU A 59 -7.429 -1.269 -0.416 1.00 0.00 C ATOM 953 CD2 LEU A 59 -6.338 -1.777 -2.610 1.00 0.00 C ATOM 0 H LEU A 59 -3.779 2.298 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.946 0.203 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.526 1.006 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.353 0.715 -2.488 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.334 -1.458 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.582 -2.338 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.288 -0.783 0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.302 -0.844 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.508 -2.838 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.181 -1.364 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.425 -1.651 -3.192 1.00 0.00 H new ATOM 965 N SER A 60 -2.709 1.467 -2.978 1.00 0.00 N ATOM 966 CA SER A 60 -2.009 1.482 -4.256 1.00 0.00 C ATOM 967 C SER A 60 -0.505 1.329 -4.056 1.00 0.00 C ATOM 968 O SER A 60 0.071 1.912 -3.138 1.00 0.00 O ATOM 969 CB SER A 60 -2.303 2.782 -5.009 1.00 0.00 C ATOM 970 OG SER A 60 -3.521 2.690 -5.728 1.00 0.00 O ATOM 0 H SER A 60 -2.243 1.986 -2.234 1.00 0.00 H new ATOM 0 HA SER A 60 -2.368 0.638 -4.846 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.355 3.611 -4.303 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.486 3.000 -5.697 1.00 0.00 H new ATOM 0 HG SER A 60 -3.687 3.533 -6.199 1.00 0.00 H new ATOM 976 N SER A 61 0.128 0.541 -4.920 1.00 0.00 N ATOM 977 CA SER A 61 1.568 0.316 -4.834 1.00 0.00 C ATOM 978 C SER A 61 2.322 1.264 -5.763 1.00 0.00 C ATOM 979 O SER A 61 2.659 0.907 -6.891 1.00 0.00 O ATOM 980 CB SER A 61 1.898 -1.135 -5.190 1.00 0.00 C ATOM 981 OG SER A 61 1.221 -1.539 -6.369 1.00 0.00 O ATOM 0 H SER A 61 -0.332 0.049 -5.686 1.00 0.00 H new ATOM 0 HA SER A 61 1.883 0.513 -3.809 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.974 -1.243 -5.330 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.617 -1.788 -4.364 1.00 0.00 H new ATOM 0 HG SER A 61 1.819 -2.088 -6.918 1.00 0.00 H new ATOM 987 N ASP A 62 2.583 2.473 -5.276 1.00 0.00 N ATOM 988 CA ASP A 62 3.299 3.477 -6.056 1.00 0.00 C ATOM 989 C ASP A 62 4.515 3.993 -5.291 1.00 0.00 C ATOM 990 O ASP A 62 4.565 3.907 -4.067 1.00 0.00 O ATOM 991 CB ASP A 62 2.371 4.641 -6.407 1.00 0.00 C ATOM 992 CG ASP A 62 1.742 4.485 -7.778 1.00 0.00 C ATOM 993 OD1 ASP A 62 1.061 3.463 -8.007 1.00 0.00 O ATOM 994 OD2 ASP A 62 1.932 5.387 -8.622 1.00 0.00 O ATOM 0 H ASP A 62 2.309 2.782 -4.343 1.00 0.00 H new ATOM 0 HA ASP A 62 3.643 3.007 -6.978 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.585 4.715 -5.656 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.934 5.574 -6.372 1.00 0.00 H new ATOM 999 N PRO A 63 5.517 4.531 -6.004 1.00 0.00 N ATOM 1000 CA PRO A 63 6.729 5.054 -5.387 1.00 0.00 C ATOM 1001 C PRO A 63 6.604 6.525 -4.994 1.00 0.00 C ATOM 1002 O PRO A 63 6.940 6.907 -3.873 1.00 0.00 O ATOM 1003 CB PRO A 63 7.764 4.876 -6.491 1.00 0.00 C ATOM 1004 CG PRO A 63 6.997 5.001 -7.772 1.00 0.00 C ATOM 1005 CD PRO A 63 5.554 4.662 -7.469 1.00 0.00 C ATOM 0 HA PRO A 63 6.974 4.544 -4.455 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.545 5.633 -6.424 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.254 3.905 -6.419 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.078 6.012 -8.171 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.399 4.327 -8.528 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.879 5.444 -7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.250 3.737 -7.960 1.00 0.00 H new ATOM 1013 N GLU A 64 6.118 7.347 -5.921 1.00 0.00 N ATOM 1014 CA GLU A 64 5.951 8.775 -5.667 1.00 0.00 C ATOM 1015 C GLU A 64 4.802 9.022 -4.697 1.00 0.00 C ATOM 1016 O GLU A 64 4.894 9.871 -3.809 1.00 0.00 O ATOM 1017 CB GLU A 64 5.690 9.529 -6.977 1.00 0.00 C ATOM 1018 CG GLU A 64 6.428 8.953 -8.176 1.00 0.00 C ATOM 1019 CD GLU A 64 7.155 10.014 -8.979 1.00 0.00 C ATOM 1020 OE1 GLU A 64 8.298 10.360 -8.608 1.00 0.00 O ATOM 1021 OE2 GLU A 64 6.584 10.498 -9.978 1.00 0.00 O ATOM 0 H GLU A 64 5.833 7.049 -6.854 1.00 0.00 H new ATOM 0 HA GLU A 64 6.874 9.145 -5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.620 9.520 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.982 10.571 -6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.145 8.208 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.717 8.437 -8.822 1.00 0.00 H new ATOM 1028 N VAL A 65 3.719 8.271 -4.872 1.00 0.00 N ATOM 1029 CA VAL A 65 2.547 8.401 -4.013 1.00 0.00 C ATOM 1030 C VAL A 65 2.927 8.235 -2.546 1.00 0.00 C ATOM 1031 O VAL A 65 2.260 8.762 -1.657 1.00 0.00 O ATOM 1032 CB VAL A 65 1.469 7.357 -4.366 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.201 7.602 -3.563 1.00 0.00 C ATOM 1034 CG2 VAL A 65 1.169 7.374 -5.860 1.00 0.00 C ATOM 0 H VAL A 65 3.629 7.565 -5.602 1.00 0.00 H new ATOM 0 HA VAL A 65 2.144 9.400 -4.178 1.00 0.00 H new ATOM 0 HB VAL A 65 1.854 6.371 -4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.547 6.854 -3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.425 7.531 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.185 8.596 -3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.406 6.630 -6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.809 8.362 -6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.077 7.143 -6.416 1.00 0.00 H new ATOM 1044 N LEU A 66 3.999 7.489 -2.303 1.00 0.00 N ATOM 1045 CA LEU A 66 4.467 7.241 -0.948 1.00 0.00 C ATOM 1046 C LEU A 66 5.444 8.319 -0.493 1.00 0.00 C ATOM 1047 O LEU A 66 5.606 8.555 0.703 1.00 0.00 O ATOM 1048 CB LEU A 66 5.115 5.861 -0.870 1.00 0.00 C ATOM 1049 CG LEU A 66 4.195 4.708 -1.274 1.00 0.00 C ATOM 1050 CD1 LEU A 66 4.867 3.366 -1.033 1.00 0.00 C ATOM 1051 CD2 LEU A 66 2.883 4.790 -0.517 1.00 0.00 C ATOM 0 H LEU A 66 4.560 7.045 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 66 3.609 7.271 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.996 5.850 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.462 5.693 0.150 1.00 0.00 H new ATOM 0 HG LEU A 66 3.988 4.795 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.192 2.563 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.782 3.306 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.110 3.265 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.239 3.963 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.077 4.731 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.390 5.735 -0.745 1.00 0.00 H new ATOM 1063 N LEU A 67 6.087 8.978 -1.450 1.00 0.00 N ATOM 1064 CA LEU A 67 7.040 10.035 -1.136 1.00 0.00 C ATOM 1065 C LEU A 67 6.351 11.182 -0.405 1.00 0.00 C ATOM 1066 O LEU A 67 6.928 11.799 0.491 1.00 0.00 O ATOM 1067 CB LEU A 67 7.696 10.555 -2.416 1.00 0.00 C ATOM 1068 CG LEU A 67 9.072 11.194 -2.226 1.00 0.00 C ATOM 1069 CD1 LEU A 67 8.998 12.329 -1.216 1.00 0.00 C ATOM 1070 CD2 LEU A 67 10.089 10.151 -1.788 1.00 0.00 C ATOM 0 H LEU A 67 5.966 8.800 -2.447 1.00 0.00 H new ATOM 0 HA LEU A 67 7.809 9.618 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.791 9.728 -3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.032 11.288 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 67 9.395 11.607 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.986 12.772 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.302 13.088 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.653 11.941 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.062 10.624 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.772 9.708 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.163 9.373 -2.548 1.00 0.00 H new ATOM 1082 N GLN A 68 5.111 11.461 -0.794 1.00 0.00 N ATOM 1083 CA GLN A 68 4.338 12.537 -0.181 1.00 0.00 C ATOM 1084 C GLN A 68 3.767 12.115 1.173 1.00 0.00 C ATOM 1085 O GLN A 68 3.386 12.960 1.982 1.00 0.00 O ATOM 1086 CB GLN A 68 3.201 12.965 -1.111 1.00 0.00 C ATOM 1087 CG GLN A 68 3.673 13.414 -2.484 1.00 0.00 C ATOM 1088 CD GLN A 68 2.807 14.511 -3.070 1.00 0.00 C ATOM 1089 OE1 GLN A 68 2.249 14.364 -4.157 1.00 0.00 O ATOM 1090 NE2 GLN A 68 2.691 15.620 -2.349 1.00 0.00 N ATOM 0 H GLN A 68 4.619 10.957 -1.532 1.00 0.00 H new ATOM 0 HA GLN A 68 5.012 13.378 -0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.507 12.133 -1.229 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.647 13.778 -0.643 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.701 13.768 -2.412 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.676 12.559 -3.160 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.172 15.698 -1.453 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.121 16.394 -2.691 1.00 0.00 H new ATOM 1099 N ILE A 69 3.709 10.807 1.415 1.00 0.00 N ATOM 1100 CA ILE A 69 3.182 10.289 2.674 1.00 0.00 C ATOM 1101 C ILE A 69 4.046 10.726 3.852 1.00 0.00 C ATOM 1102 O ILE A 69 5.268 10.819 3.740 1.00 0.00 O ATOM 1103 CB ILE A 69 3.091 8.749 2.655 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.293 8.277 1.436 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.464 8.232 3.942 1.00 0.00 C ATOM 1106 CD1 ILE A 69 0.807 8.554 1.532 1.00 0.00 C ATOM 0 H ILE A 69 4.019 10.090 0.759 1.00 0.00 H new ATOM 0 HA ILE A 69 2.180 10.701 2.792 1.00 0.00 H new ATOM 0 HB ILE A 69 4.101 8.344 2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.687 8.765 0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.446 7.206 1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.409 7.144 3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.073 8.538 4.792 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.460 8.643 4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.310 8.191 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.397 8.043 2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.642 9.627 1.630 1.00 0.00 H new ATOM 1118 N ASP A 70 3.400 10.995 4.984 1.00 0.00 N ATOM 1119 CA ASP A 70 4.106 11.427 6.186 1.00 0.00 C ATOM 1120 C ASP A 70 4.962 10.298 6.753 1.00 0.00 C ATOM 1121 O ASP A 70 4.479 9.187 6.973 1.00 0.00 O ATOM 1122 CB ASP A 70 3.108 11.903 7.243 1.00 0.00 C ATOM 1123 CG ASP A 70 3.621 13.096 8.027 1.00 0.00 C ATOM 1124 OD1 ASP A 70 3.875 14.149 7.406 1.00 0.00 O ATOM 1125 OD2 ASP A 70 3.769 12.977 9.261 1.00 0.00 O ATOM 0 H ASP A 70 2.389 10.921 5.093 1.00 0.00 H new ATOM 0 HA ASP A 70 4.762 12.254 5.913 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.168 12.167 6.758 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.893 11.085 7.931 1.00 0.00 H new ATOM 1130 N GLY A 71 6.238 10.592 6.989 1.00 0.00 N ATOM 1131 CA GLY A 71 7.143 9.595 7.530 1.00 0.00 C ATOM 1132 C GLY A 71 7.940 8.883 6.456 1.00 0.00 C ATOM 1133 O GLY A 71 9.034 8.381 6.714 1.00 0.00 O ATOM 0 H GLY A 71 6.661 11.504 6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.829 10.074 8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.571 8.862 8.098 1.00 0.00 H new ATOM 1137 N VAL A 72 7.392 8.838 5.247 1.00 0.00 N ATOM 1138 CA VAL A 72 8.058 8.181 4.128 1.00 0.00 C ATOM 1139 C VAL A 72 8.881 9.176 3.319 1.00 0.00 C ATOM 1140 O VAL A 72 8.342 10.121 2.741 1.00 0.00 O ATOM 1141 CB VAL A 72 7.042 7.494 3.196 1.00 0.00 C ATOM 1142 CG1 VAL A 72 7.758 6.659 2.146 1.00 0.00 C ATOM 1143 CG2 VAL A 72 6.070 6.640 3.996 1.00 0.00 C ATOM 0 H VAL A 72 6.487 9.249 5.016 1.00 0.00 H new ATOM 0 HA VAL A 72 8.720 7.426 4.552 1.00 0.00 H new ATOM 0 HB VAL A 72 6.470 8.267 2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.023 6.182 1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.405 7.302 1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.359 5.894 2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.361 6.164 3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.622 5.874 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.529 7.269 4.703 1.00 0.00 H new ATOM 1153 N THR A 73 10.191 8.957 3.277 1.00 0.00 N ATOM 1154 CA THR A 73 11.090 9.833 2.536 1.00 0.00 C ATOM 1155 C THR A 73 11.567 9.163 1.251 1.00 0.00 C ATOM 1156 O THR A 73 11.071 8.102 0.872 1.00 0.00 O ATOM 1157 CB THR A 73 12.292 10.217 3.400 1.00 0.00 C ATOM 1158 OG1 THR A 73 13.153 9.107 3.584 1.00 0.00 O ATOM 1159 CG2 THR A 73 11.901 10.727 4.772 1.00 0.00 C ATOM 0 H THR A 73 10.654 8.180 3.748 1.00 0.00 H new ATOM 0 HA THR A 73 10.539 10.735 2.272 1.00 0.00 H new ATOM 0 HB THR A 73 12.794 11.019 2.859 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.827 9.324 4.262 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.799 10.982 5.335 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.275 11.613 4.666 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.347 9.953 5.304 1.00 0.00 H new ATOM 1167 N GLU A 74 12.533 9.788 0.586 1.00 0.00 N ATOM 1168 CA GLU A 74 13.077 9.252 -0.655 1.00 0.00 C ATOM 1169 C GLU A 74 13.906 8.000 -0.390 1.00 0.00 C ATOM 1170 O GLU A 74 13.779 6.998 -1.094 1.00 0.00 O ATOM 1171 CB GLU A 74 13.936 10.306 -1.357 1.00 0.00 C ATOM 1172 CG GLU A 74 13.303 11.688 -1.386 1.00 0.00 C ATOM 1173 CD GLU A 74 13.601 12.440 -2.668 1.00 0.00 C ATOM 1174 OE1 GLU A 74 14.640 13.130 -2.723 1.00 0.00 O ATOM 1175 OE2 GLU A 74 12.796 12.337 -3.617 1.00 0.00 O ATOM 0 H GLU A 74 12.955 10.667 0.886 1.00 0.00 H new ATOM 0 HA GLU A 74 12.242 8.983 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.902 10.369 -0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.129 9.983 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.224 11.592 -1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.666 12.267 -0.537 1.00 0.00 H new ATOM 1182 N ASP A 75 14.756 8.063 0.630 1.00 0.00 N ATOM 1183 CA ASP A 75 15.606 6.935 0.989 1.00 0.00 C ATOM 1184 C ASP A 75 14.770 5.759 1.486 1.00 0.00 C ATOM 1185 O ASP A 75 15.143 4.600 1.305 1.00 0.00 O ATOM 1186 CB ASP A 75 16.613 7.349 2.064 1.00 0.00 C ATOM 1187 CG ASP A 75 15.949 8.010 3.255 1.00 0.00 C ATOM 1188 OD1 ASP A 75 15.249 7.304 4.013 1.00 0.00 O ATOM 1189 OD2 ASP A 75 16.126 9.233 3.431 1.00 0.00 O ATOM 0 H ASP A 75 14.874 8.885 1.223 1.00 0.00 H new ATOM 0 HA ASP A 75 16.146 6.622 0.096 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.163 6.470 2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.341 8.035 1.631 1.00 0.00 H new ATOM 1194 N LYS A 76 13.639 6.067 2.112 1.00 0.00 N ATOM 1195 CA LYS A 76 12.749 5.036 2.634 1.00 0.00 C ATOM 1196 C LYS A 76 12.085 4.264 1.499 1.00 0.00 C ATOM 1197 O LYS A 76 11.893 3.052 1.589 1.00 0.00 O ATOM 1198 CB LYS A 76 11.680 5.662 3.532 1.00 0.00 C ATOM 1199 CG LYS A 76 12.231 6.222 4.835 1.00 0.00 C ATOM 1200 CD LYS A 76 11.486 5.673 6.044 1.00 0.00 C ATOM 1201 CE LYS A 76 12.444 5.211 7.129 1.00 0.00 C ATOM 1202 NZ LYS A 76 12.636 6.248 8.179 1.00 0.00 N ATOM 0 H LYS A 76 13.317 7.022 2.270 1.00 0.00 H new ATOM 0 HA LYS A 76 13.347 4.340 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.181 6.462 2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.924 4.911 3.760 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.290 5.976 4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.156 7.309 4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.825 6.442 6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.855 4.839 5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.062 4.298 7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.407 4.965 6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.604 6.624 8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.955 7.020 8.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.483 5.825 9.117 1.00 0.00 H new ATOM 1216 N LEU A 77 11.736 4.976 0.433 1.00 0.00 N ATOM 1217 CA LEU A 77 11.092 4.358 -0.722 1.00 0.00 C ATOM 1218 C LEU A 77 12.117 3.710 -1.649 1.00 0.00 C ATOM 1219 O LEU A 77 11.765 2.899 -2.506 1.00 0.00 O ATOM 1220 CB LEU A 77 10.275 5.400 -1.488 1.00 0.00 C ATOM 1221 CG LEU A 77 8.951 4.891 -2.061 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.183 3.682 -2.953 1.00 0.00 C ATOM 1223 CD2 LEU A 77 7.980 4.548 -0.941 1.00 0.00 C ATOM 0 H LEU A 77 11.888 5.981 0.344 1.00 0.00 H new ATOM 0 HA LEU A 77 10.426 3.576 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.067 6.238 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.883 5.786 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 77 8.513 5.685 -2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.229 3.335 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.841 3.959 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.646 2.884 -2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.044 4.188 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.413 3.772 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.787 5.438 -0.342 1.00 0.00 H new ATOM 1235 N GLU A 78 13.386 4.067 -1.478 1.00 0.00 N ATOM 1236 CA GLU A 78 14.450 3.509 -2.304 1.00 0.00 C ATOM 1237 C GLU A 78 15.037 2.255 -1.660 1.00 0.00 C ATOM 1238 O GLU A 78 15.498 1.348 -2.353 1.00 0.00 O ATOM 1239 CB GLU A 78 15.551 4.551 -2.526 1.00 0.00 C ATOM 1240 CG GLU A 78 15.648 5.036 -3.964 1.00 0.00 C ATOM 1241 CD GLU A 78 16.382 6.356 -4.086 1.00 0.00 C ATOM 1242 OE1 GLU A 78 16.167 7.237 -3.227 1.00 0.00 O ATOM 1243 OE2 GLU A 78 17.173 6.510 -5.039 1.00 0.00 O ATOM 0 H GLU A 78 13.702 4.738 -0.777 1.00 0.00 H new ATOM 0 HA GLU A 78 14.023 3.233 -3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.368 5.406 -1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.509 4.124 -2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.160 4.283 -4.564 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.644 5.143 -4.376 1.00 0.00 H new ATOM 1250 N LYS A 79 15.013 2.213 -0.332 1.00 0.00 N ATOM 1251 CA LYS A 79 15.543 1.074 0.407 1.00 0.00 C ATOM 1252 C LYS A 79 14.433 0.097 0.788 1.00 0.00 C ATOM 1253 O LYS A 79 14.484 -1.083 0.438 1.00 0.00 O ATOM 1254 CB LYS A 79 16.269 1.554 1.666 1.00 0.00 C ATOM 1255 CG LYS A 79 17.361 0.608 2.136 1.00 0.00 C ATOM 1256 CD LYS A 79 18.101 1.168 3.341 1.00 0.00 C ATOM 1257 CE LYS A 79 17.166 1.371 4.523 1.00 0.00 C ATOM 1258 NZ LYS A 79 17.879 1.929 5.704 1.00 0.00 N ATOM 0 H LYS A 79 14.632 2.955 0.254 1.00 0.00 H new ATOM 0 HA LYS A 79 16.249 0.553 -0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.707 2.533 1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.542 1.683 2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.923 -0.357 2.392 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.066 0.432 1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.905 0.488 3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.565 2.118 3.075 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.358 2.044 4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.708 0.419 4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.207 2.053 6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.634 1.275 5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.295 2.849 5.456 1.00 0.00 H new ATOM 1272 N TYR A 80 13.437 0.593 1.516 1.00 0.00 N ATOM 1273 CA TYR A 80 12.319 -0.238 1.955 1.00 0.00 C ATOM 1274 C TYR A 80 11.295 -0.432 0.841 1.00 0.00 C ATOM 1275 O TYR A 80 10.548 -1.409 0.838 1.00 0.00 O ATOM 1276 CB TYR A 80 11.646 0.384 3.178 1.00 0.00 C ATOM 1277 CG TYR A 80 12.580 0.564 4.354 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.409 -0.470 4.770 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.631 1.768 5.047 1.00 0.00 C ATOM 1280 CE1 TYR A 80 14.264 -0.308 5.844 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.484 1.936 6.121 1.00 0.00 C ATOM 1282 CZ TYR A 80 14.298 0.896 6.515 1.00 0.00 C ATOM 1283 OH TYR A 80 15.149 1.059 7.585 1.00 0.00 O ATOM 0 H TYR A 80 13.381 1.567 1.815 1.00 0.00 H new ATOM 0 HA TYR A 80 12.718 -1.217 2.221 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.232 1.354 2.901 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.809 -0.245 3.482 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.385 -1.414 4.247 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.994 2.585 4.741 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.903 -1.121 6.156 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.513 2.878 6.649 1.00 0.00 H new ATOM 0 HH TYR A 80 15.051 1.965 7.946 1.00 0.00 H new ATOM 1293 N GLY A 81 11.259 0.506 -0.104 1.00 0.00 N ATOM 1294 CA GLY A 81 10.315 0.414 -1.206 1.00 0.00 C ATOM 1295 C GLY A 81 10.311 -0.954 -1.863 1.00 0.00 C ATOM 1296 O GLY A 81 9.274 -1.421 -2.336 1.00 0.00 O ATOM 0 H GLY A 81 11.865 1.326 -0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.313 0.639 -0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.560 1.170 -1.952 1.00 0.00 H new ATOM 1300 N ALA A 82 11.472 -1.598 -1.892 1.00 0.00 N ATOM 1301 CA ALA A 82 11.599 -2.920 -2.494 1.00 0.00 C ATOM 1302 C ALA A 82 10.847 -3.969 -1.681 1.00 0.00 C ATOM 1303 O ALA A 82 10.452 -5.009 -2.207 1.00 0.00 O ATOM 1304 CB ALA A 82 13.065 -3.301 -2.625 1.00 0.00 C ATOM 0 H ALA A 82 12.339 -1.226 -1.505 1.00 0.00 H new ATOM 0 HA ALA A 82 11.155 -2.883 -3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.145 -4.290 -3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.575 -2.573 -3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.527 -3.314 -1.638 1.00 0.00 H new ATOM 1310 N GLU A 83 10.653 -3.692 -0.394 1.00 0.00 N ATOM 1311 CA GLU A 83 9.950 -4.614 0.488 1.00 0.00 C ATOM 1312 C GLU A 83 8.479 -4.237 0.617 1.00 0.00 C ATOM 1313 O GLU A 83 7.595 -5.014 0.253 1.00 0.00 O ATOM 1314 CB GLU A 83 10.608 -4.632 1.869 1.00 0.00 C ATOM 1315 CG GLU A 83 10.794 -6.031 2.435 1.00 0.00 C ATOM 1316 CD GLU A 83 11.979 -6.754 1.826 1.00 0.00 C ATOM 1317 OE1 GLU A 83 12.243 -6.551 0.623 1.00 0.00 O ATOM 1318 OE2 GLU A 83 12.641 -7.525 2.552 1.00 0.00 O ATOM 0 H GLU A 83 10.973 -2.836 0.059 1.00 0.00 H new ATOM 0 HA GLU A 83 10.010 -5.610 0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.580 -4.142 1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.000 -4.047 2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.928 -5.967 3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.889 -6.613 2.260 1.00 0.00 H new ATOM 1325 N VAL A 84 8.216 -3.041 1.142 1.00 0.00 N ATOM 1326 CA VAL A 84 6.845 -2.569 1.319 1.00 0.00 C ATOM 1327 C VAL A 84 6.019 -2.775 0.052 1.00 0.00 C ATOM 1328 O VAL A 84 4.994 -3.457 0.074 1.00 0.00 O ATOM 1329 CB VAL A 84 6.788 -1.077 1.718 1.00 0.00 C ATOM 1330 CG1 VAL A 84 6.955 -0.919 3.221 1.00 0.00 C ATOM 1331 CG2 VAL A 84 7.836 -0.263 0.969 1.00 0.00 C ATOM 0 H VAL A 84 8.932 -2.384 1.451 1.00 0.00 H new ATOM 0 HA VAL A 84 6.423 -3.163 2.130 1.00 0.00 H new ATOM 0 HB VAL A 84 5.807 -0.692 1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.912 0.138 3.483 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.155 -1.453 3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.918 -1.329 3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.770 0.782 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.829 -0.646 1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.659 -0.342 -0.104 1.00 0.00 H new ATOM 1341 N ILE A 85 6.472 -2.188 -1.054 1.00 0.00 N ATOM 1342 CA ILE A 85 5.770 -2.313 -2.327 1.00 0.00 C ATOM 1343 C ILE A 85 5.552 -3.776 -2.693 1.00 0.00 C ATOM 1344 O ILE A 85 4.614 -4.109 -3.415 1.00 0.00 O ATOM 1345 CB ILE A 85 6.534 -1.614 -3.470 1.00 0.00 C ATOM 1346 CG1 ILE A 85 6.790 -0.147 -3.118 1.00 0.00 C ATOM 1347 CG2 ILE A 85 5.755 -1.726 -4.776 1.00 0.00 C ATOM 1348 CD1 ILE A 85 7.361 0.662 -4.263 1.00 0.00 C ATOM 0 H ILE A 85 7.320 -1.623 -1.093 1.00 0.00 H new ATOM 0 HA ILE A 85 4.804 -1.825 -2.201 1.00 0.00 H new ATOM 0 HB ILE A 85 7.496 -2.109 -3.601 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.854 0.308 -2.794 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.477 -0.100 -2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.307 -1.228 -5.573 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.620 -2.777 -5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.780 -1.253 -4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.516 1.691 -3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.313 0.232 -4.573 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.665 0.646 -5.102 1.00 0.00 H new ATOM 1360 N SER A 86 6.415 -4.650 -2.187 1.00 0.00 N ATOM 1361 CA SER A 86 6.298 -6.075 -2.463 1.00 0.00 C ATOM 1362 C SER A 86 4.965 -6.603 -1.942 1.00 0.00 C ATOM 1363 O SER A 86 4.356 -7.487 -2.541 1.00 0.00 O ATOM 1364 CB SER A 86 7.455 -6.842 -1.819 1.00 0.00 C ATOM 1365 OG SER A 86 7.939 -7.855 -2.683 1.00 0.00 O ATOM 0 H SER A 86 7.200 -4.397 -1.586 1.00 0.00 H new ATOM 0 HA SER A 86 6.340 -6.224 -3.542 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.262 -6.151 -1.575 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.123 -7.288 -0.881 1.00 0.00 H new ATOM 0 HG SER A 86 8.679 -8.329 -2.249 1.00 0.00 H new ATOM 1371 N VAL A 87 4.521 -6.043 -0.821 1.00 0.00 N ATOM 1372 CA VAL A 87 3.259 -6.443 -0.210 1.00 0.00 C ATOM 1373 C VAL A 87 2.098 -5.595 -0.723 1.00 0.00 C ATOM 1374 O VAL A 87 0.940 -6.008 -0.656 1.00 0.00 O ATOM 1375 CB VAL A 87 3.319 -6.329 1.326 1.00 0.00 C ATOM 1376 CG1 VAL A 87 2.082 -6.955 1.954 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.586 -6.976 1.866 1.00 0.00 C ATOM 0 H VAL A 87 5.018 -5.309 -0.317 1.00 0.00 H new ATOM 0 HA VAL A 87 3.093 -7.484 -0.488 1.00 0.00 H new ATOM 0 HB VAL A 87 3.341 -5.272 1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.140 -6.866 3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.191 -6.440 1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.028 -8.008 1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.607 -6.884 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.602 -8.031 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.458 -6.478 1.442 1.00 0.00 H new ATOM 1387 N LEU A 88 2.411 -4.402 -1.225 1.00 0.00 N ATOM 1388 CA LEU A 88 1.388 -3.494 -1.737 1.00 0.00 C ATOM 1389 C LEU A 88 0.933 -3.892 -3.137 1.00 0.00 C ATOM 1390 O LEU A 88 -0.196 -3.609 -3.534 1.00 0.00 O ATOM 1391 CB LEU A 88 1.911 -2.057 -1.752 1.00 0.00 C ATOM 1392 CG LEU A 88 1.904 -1.352 -0.392 1.00 0.00 C ATOM 1393 CD1 LEU A 88 3.318 -1.004 0.044 1.00 0.00 C ATOM 1394 CD2 LEU A 88 1.040 -0.099 -0.446 1.00 0.00 C ATOM 0 H LEU A 88 3.363 -4.042 -1.288 1.00 0.00 H new ATOM 0 HA LEU A 88 0.528 -3.560 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.931 -2.061 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.309 -1.474 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 88 1.479 -2.035 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.288 -0.504 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.909 -1.916 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.773 -0.341 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.046 0.389 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.437 0.584 -1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.018 -0.373 -0.708 1.00 0.00 H new ATOM 1406 N GLN A 89 1.819 -4.544 -3.886 1.00 0.00 N ATOM 1407 CA GLN A 89 1.505 -4.973 -5.245 1.00 0.00 C ATOM 1408 C GLN A 89 0.146 -5.666 -5.304 1.00 0.00 C ATOM 1409 O GLN A 89 -0.555 -5.602 -6.316 1.00 0.00 O ATOM 1410 CB GLN A 89 2.593 -5.914 -5.767 1.00 0.00 C ATOM 1411 CG GLN A 89 2.519 -6.157 -7.266 1.00 0.00 C ATOM 1412 CD GLN A 89 2.725 -7.614 -7.631 1.00 0.00 C ATOM 1413 OE1 GLN A 89 2.148 -8.508 -7.015 1.00 0.00 O ATOM 1414 NE2 GLN A 89 3.553 -7.858 -8.640 1.00 0.00 N ATOM 0 H GLN A 89 2.759 -4.786 -3.574 1.00 0.00 H new ATOM 0 HA GLN A 89 1.464 -4.086 -5.877 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.570 -5.497 -5.523 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.515 -6.869 -5.248 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.548 -5.827 -7.636 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.274 -5.551 -7.766 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.010 -7.085 -9.123 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.732 -8.819 -8.932 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.223 -6.324 -4.209 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.500 -7.024 -4.131 1.00 0.00 C ATOM 1425 C LYS A 90 -2.655 -6.030 -4.134 1.00 0.00 C ATOM 1426 O LYS A 90 -3.635 -6.201 -4.857 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.566 -7.886 -2.868 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.316 -8.716 -2.625 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.065 -8.927 -1.139 1.00 0.00 C ATOM 1430 CE LYS A 90 0.246 -10.382 -0.823 1.00 0.00 C ATOM 1431 NZ LYS A 90 1.563 -10.533 -0.143 1.00 0.00 N ATOM 0 H LYS A 90 0.344 -6.387 -3.364 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.585 -7.670 -5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.735 -7.240 -2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.425 -8.553 -2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.419 -9.683 -3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.544 -8.219 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.766 -8.299 -0.817 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.941 -8.611 -0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.540 -10.792 -0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.245 -10.962 -1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.738 -11.539 0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.316 -10.165 -0.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.556 -10.000 0.750 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.529 -4.991 -3.316 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.559 -3.964 -3.217 1.00 0.00 C ATOM 1447 C TYR A 91 -3.796 -3.307 -4.573 1.00 0.00 C ATOM 1448 O TYR A 91 -4.934 -3.015 -4.943 1.00 0.00 O ATOM 1449 CB TYR A 91 -3.167 -2.903 -2.186 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.483 -3.457 -0.953 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -2.745 -4.747 -0.500 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.570 -2.688 -0.242 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.118 -5.249 0.624 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -0.939 -3.186 0.882 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.216 -4.465 1.310 1.00 0.00 C ATOM 1456 OH TYR A 91 -0.590 -4.963 2.431 1.00 0.00 O ATOM 0 H TYR A 91 -1.722 -4.838 -2.711 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.482 -4.444 -2.893 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.505 -2.179 -2.660 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.062 -2.363 -1.879 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.450 -5.365 -1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.350 -1.684 -0.573 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.334 -6.251 0.963 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.232 -2.575 1.422 1.00 0.00 H new ATOM 0 HH TYR A 91 0.016 -4.285 2.796 1.00 0.00 H new ATOM 1466 N SER A 92 -2.715 -3.082 -5.311 1.00 0.00 N ATOM 1467 CA SER A 92 -2.805 -2.464 -6.628 1.00 0.00 C ATOM 1468 C SER A 92 -3.651 -3.317 -7.567 1.00 0.00 C ATOM 1469 O SER A 92 -4.266 -2.805 -8.503 1.00 0.00 O ATOM 1470 CB SER A 92 -1.407 -2.262 -7.217 1.00 0.00 C ATOM 1471 OG SER A 92 -1.038 -0.894 -7.192 1.00 0.00 O ATOM 0 H SER A 92 -1.766 -3.318 -5.020 1.00 0.00 H new ATOM 0 HA SER A 92 -3.285 -1.492 -6.517 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.682 -2.848 -6.652 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.384 -2.630 -8.243 1.00 0.00 H new ATOM 0 HG SER A 92 -0.062 -0.817 -7.244 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.682 -4.621 -7.310 1.00 0.00 N ATOM 1478 CA GLU A 93 -4.455 -5.545 -8.131 1.00 0.00 C ATOM 1479 C GLU A 93 -5.923 -5.551 -7.708 1.00 0.00 C ATOM 1480 O GLU A 93 -6.809 -5.835 -8.515 1.00 0.00 O ATOM 1481 CB GLU A 93 -3.875 -6.957 -8.033 1.00 0.00 C ATOM 1482 CG GLU A 93 -3.764 -7.664 -9.373 1.00 0.00 C ATOM 1483 CD GLU A 93 -3.454 -9.140 -9.230 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -2.458 -9.475 -8.554 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -4.208 -9.962 -9.793 1.00 0.00 O ATOM 0 H GLU A 93 -3.180 -5.061 -6.539 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.396 -5.209 -9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.886 -6.904 -7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.501 -7.552 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.699 -7.544 -9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.983 -7.189 -9.967 1.00 0.00 H new ATOM 1492 N TRP A 94 -6.173 -5.241 -6.439 1.00 0.00 N ATOM 1493 CA TRP A 94 -7.532 -5.214 -5.911 1.00 0.00 C ATOM 1494 C TRP A 94 -8.178 -3.848 -6.133 1.00 0.00 C ATOM 1495 O TRP A 94 -9.386 -3.752 -6.351 1.00 0.00 O ATOM 1496 CB TRP A 94 -7.531 -5.554 -4.421 1.00 0.00 C ATOM 1497 CG TRP A 94 -7.431 -7.023 -4.146 1.00 0.00 C ATOM 1498 CD1 TRP A 94 -6.362 -7.834 -4.404 1.00 0.00 C ATOM 1499 CD2 TRP A 94 -8.437 -7.860 -3.563 1.00 0.00 C ATOM 1500 NE1 TRP A 94 -6.642 -9.121 -4.016 1.00 0.00 N ATOM 1501 CE2 TRP A 94 -7.910 -9.164 -3.498 1.00 0.00 C ATOM 1502 CE3 TRP A 94 -9.733 -7.633 -3.090 1.00 0.00 C ATOM 1503 CZ2 TRP A 94 -8.632 -10.234 -2.978 1.00 0.00 C ATOM 1504 CZ3 TRP A 94 -10.449 -8.697 -2.576 1.00 0.00 C ATOM 1505 CH2 TRP A 94 -9.897 -9.983 -2.522 1.00 0.00 C ATOM 0 H TRP A 94 -5.452 -5.005 -5.758 1.00 0.00 H new ATOM 0 HA TRP A 94 -8.116 -5.963 -6.447 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.696 -5.044 -3.940 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -8.444 -5.168 -3.967 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -5.432 -7.510 -4.848 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -6.009 -9.916 -4.100 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.166 -6.644 -3.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.209 -11.227 -2.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -11.452 -8.534 -2.209 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -10.482 -10.793 -2.112 1.00 0.00 H new ATOM 1516 N THR A 95 -7.368 -2.797 -6.072 1.00 0.00 N ATOM 1517 CA THR A 95 -7.862 -1.440 -6.265 1.00 0.00 C ATOM 1518 C THR A 95 -8.340 -1.228 -7.698 1.00 0.00 C ATOM 1519 O THR A 95 -9.354 -0.572 -7.935 1.00 0.00 O ATOM 1520 CB THR A 95 -6.777 -0.423 -5.922 1.00 0.00 C ATOM 1521 OG1 THR A 95 -7.272 0.899 -6.026 1.00 0.00 O ATOM 1522 CG2 THR A 95 -5.566 -0.533 -6.815 1.00 0.00 C ATOM 0 H THR A 95 -6.366 -2.859 -5.890 1.00 0.00 H new ATOM 0 HA THR A 95 -8.710 -1.295 -5.595 1.00 0.00 H new ATOM 0 HB THR A 95 -6.480 -0.647 -4.897 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.560 1.534 -5.800 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.829 0.215 -6.523 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.131 -1.528 -6.717 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.861 -0.366 -7.851 1.00 0.00 H new ATOM 1530 N SER A 96 -7.603 -1.788 -8.652 1.00 0.00 N ATOM 1531 CA SER A 96 -7.950 -1.659 -10.062 1.00 0.00 C ATOM 1532 C SER A 96 -8.599 -2.942 -10.581 1.00 0.00 C ATOM 1533 O SER A 96 -7.925 -3.956 -10.760 1.00 0.00 O ATOM 1534 CB SER A 96 -6.703 -1.336 -10.887 1.00 0.00 C ATOM 1535 OG SER A 96 -5.756 -0.612 -10.120 1.00 0.00 O ATOM 0 H SER A 96 -6.761 -2.336 -8.474 1.00 0.00 H new ATOM 0 HA SER A 96 -8.666 -0.843 -10.163 1.00 0.00 H new ATOM 0 HB2 SER A 96 -6.253 -2.261 -11.248 1.00 0.00 H new ATOM 0 HB3 SER A 96 -6.985 -0.755 -11.765 1.00 0.00 H new ATOM 0 HG SER A 96 -5.153 -1.239 -9.669 1.00 0.00 H new ATOM 1541 N PRO A 97 -9.921 -2.916 -10.835 1.00 0.00 N ATOM 1542 CA PRO A 97 -10.648 -4.086 -11.338 1.00 0.00 C ATOM 1543 C PRO A 97 -10.291 -4.412 -12.785 1.00 0.00 C ATOM 1544 O PRO A 97 -9.633 -3.623 -13.464 1.00 0.00 O ATOM 1545 CB PRO A 97 -12.116 -3.666 -11.231 1.00 0.00 C ATOM 1546 CG PRO A 97 -12.089 -2.180 -11.314 1.00 0.00 C ATOM 1547 CD PRO A 97 -10.809 -1.750 -10.654 1.00 0.00 C ATOM 0 HA PRO A 97 -10.407 -4.988 -10.775 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -12.711 -4.097 -12.036 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -12.557 -4.003 -10.293 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.124 -1.847 -12.351 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -12.953 -1.746 -10.810 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.397 -0.855 -11.121 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.959 -1.519 -9.599 1.00 0.00 H new ATOM 1555 N ALA A 98 -10.728 -5.578 -13.249 1.00 0.00 N ATOM 1556 CA ALA A 98 -10.454 -6.007 -14.615 1.00 0.00 C ATOM 1557 C ALA A 98 -11.272 -7.239 -14.979 1.00 0.00 C ATOM 1558 O ALA A 98 -11.873 -7.304 -16.051 1.00 0.00 O ATOM 1559 CB ALA A 98 -8.969 -6.287 -14.790 1.00 0.00 C ATOM 0 H ALA A 98 -11.273 -6.242 -12.699 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.744 -5.200 -15.288 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.777 -6.607 -15.814 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.401 -5.381 -14.580 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -8.664 -7.075 -14.101 1.00 0.00 H new ATOM 1565 N GLU A 99 -11.293 -8.217 -14.077 1.00 0.00 N ATOM 1566 CA GLU A 99 -12.041 -9.448 -14.303 1.00 0.00 C ATOM 1567 C GLU A 99 -12.428 -10.100 -12.980 1.00 0.00 C ATOM 1568 O GLU A 99 -11.567 -10.539 -12.216 1.00 0.00 O ATOM 1569 CB GLU A 99 -11.211 -10.423 -15.145 1.00 0.00 C ATOM 1570 CG GLU A 99 -11.903 -10.858 -16.428 1.00 0.00 C ATOM 1571 CD GLU A 99 -11.330 -10.181 -17.658 1.00 0.00 C ATOM 1572 OE1 GLU A 99 -10.239 -10.590 -18.107 1.00 0.00 O ATOM 1573 OE2 GLU A 99 -11.972 -9.240 -18.171 1.00 0.00 O ATOM 0 H GLU A 99 -10.801 -8.180 -13.184 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.954 -9.198 -14.843 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.259 -9.955 -15.396 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -10.984 -11.305 -14.547 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -11.812 -11.939 -16.537 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.967 -10.633 -16.357 1.00 0.00 H new ATOM 1580 N ASP A 100 -13.729 -10.159 -12.714 1.00 0.00 N ATOM 1581 CA ASP A 100 -14.230 -10.758 -11.482 1.00 0.00 C ATOM 1582 C ASP A 100 -15.017 -12.031 -11.778 1.00 0.00 C ATOM 1583 O ASP A 100 -14.762 -13.081 -11.187 1.00 0.00 O ATOM 1584 CB ASP A 100 -15.115 -9.762 -10.730 1.00 0.00 C ATOM 1585 CG ASP A 100 -14.955 -9.869 -9.227 1.00 0.00 C ATOM 1586 OD1 ASP A 100 -13.942 -9.363 -8.700 1.00 0.00 O ATOM 1587 OD2 ASP A 100 -15.842 -10.460 -8.575 1.00 0.00 O ATOM 0 H ASP A 100 -14.455 -9.800 -13.334 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.374 -11.017 -10.858 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.869 -8.749 -11.048 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -16.158 -9.934 -10.995 1.00 0.00 H new ATOM 1592 N SER A 101 -15.972 -11.931 -12.696 1.00 0.00 N ATOM 1593 CA SER A 101 -16.796 -13.076 -13.069 1.00 0.00 C ATOM 1594 C SER A 101 -17.755 -12.712 -14.198 1.00 0.00 C ATOM 1595 O SER A 101 -18.613 -13.553 -14.538 1.00 0.00 O ATOM 1596 CB SER A 101 -17.582 -13.580 -11.858 1.00 0.00 C ATOM 1597 OG SER A 101 -17.823 -12.535 -10.933 1.00 0.00 O ATOM 1598 OXT SER A 101 -17.639 -11.589 -14.732 1.00 0.00 O ATOM 0 H SER A 101 -16.195 -11.070 -13.195 1.00 0.00 H new ATOM 0 HA SER A 101 -16.136 -13.869 -13.420 1.00 0.00 H new ATOM 0 HB2 SER A 101 -18.531 -14.004 -12.188 1.00 0.00 H new ATOM 0 HB3 SER A 101 -17.028 -14.381 -11.369 1.00 0.00 H new ATOM 0 HG SER A 101 -18.328 -12.884 -10.169 1.00 0.00 H new TER 1604 SER A 101