USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 893 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 37 LYS NZ :NH3+ -162:sc= 0.402 (180deg=-0.759) USER MOD Set 1.2: A 67 HIS : no HD1:sc= -1.49! K(o=-1.1!,f=-5.5) USER MOD Set 2.1: A 40 HIS : no HD1:sc= -1.01 X(o=-1.1,f=-0.6!) USER MOD Set 2.2: A 74 SER OG : rot -140:sc= -0.075 USER MOD Single : A 4 LYS NZ :NH3+ -154:sc= -0.18 (180deg=-0.881) USER MOD Single : A 7 MET CE :methyl 147:sc= -0.297 (180deg=-1.86!) USER MOD Single : A 11 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0131) USER MOD Single : A 12 ASN : amide:sc= -1.76! C(o=-1.8!,f=-0.79!) USER MOD Single : A 19 LYS NZ :NH3+ -155:sc= -1.29 (180deg=-2.28!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -4.11! K(o=-4.1!,f=-1.5) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0566 USER MOD Single : A 41 TYR OH : rot 86:sc= -0.752 USER MOD Single : A 45 CYS SG : rot 52:sc= -0.595! USER MOD Single : A 47 GLN : amide:sc= -6.54! C(o=-6.5!,f=-2.5!) USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= -0.0242 (180deg=-0.406) USER MOD Single : A 62 ASN : amide:sc= -10.5! K(o=-10!,f=-0.36) USER MOD Single : A 66 LYS NZ :NH3+ -154:sc= -0.0631 (180deg=-0.59) USER MOD Single : A 68 HIS : no HD1:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 70 THR OG1 : rot 119:sc= -4.57! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0111 K(o=-0.011,f=-1.7!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -75:sc= -2.37! USER MOD Single : A 85 LYS NZ :NH3+ -111:sc= 0.0568 (180deg=0) USER MOD Single : A 89 SER OG : rot -80:sc= 1.2 USER MOD Single : A 90 LYS NZ :NH3+ 136:sc= -5.9! (180deg=-11.6!) USER MOD Single : A 94 LYS NZ :NH3+ 145:sc= -1.64! (180deg=-4.96!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -2.42 USER MOD Single : A 97 LYS NZ :NH3+ 159:sc= -0.0179 (180deg=-0.29) USER MOD Single : A 103 THR OG1 : rot 103:sc= -0.428! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.171! USER MOD Single : A 110 ASN : amide:sc= -18.2! C(o=-18!,f=-13!) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 166:sc= -0.921 (180deg=-1.3) USER MOD Single : A 118 GLN : amide:sc=-0.00529 X(o=-0.0053,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -7.153 -8.710 86.465 1.00 0.00 N ATOM 44 CA LYS A 4 -6.717 -8.204 87.795 1.00 0.00 C ATOM 45 C LYS A 4 -6.000 -9.309 88.578 1.00 0.00 C ATOM 46 O LYS A 4 -4.836 -9.192 88.903 1.00 0.00 O ATOM 47 CB LYS A 4 -7.941 -7.726 88.577 1.00 0.00 C ATOM 48 CG LYS A 4 -8.849 -6.898 87.656 1.00 0.00 C ATOM 49 CD LYS A 4 -9.688 -5.927 88.490 1.00 0.00 C ATOM 50 CE LYS A 4 -10.584 -6.716 89.446 1.00 0.00 C ATOM 51 NZ LYS A 4 -11.316 -7.770 88.688 1.00 0.00 N ATOM 0 HA LYS A 4 -6.024 -7.375 87.652 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.489 -8.581 88.972 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.628 -7.126 89.431 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.245 -6.345 86.936 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.501 -7.558 87.084 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.037 -5.259 89.054 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.297 -5.302 87.836 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.982 -7.171 90.233 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.292 -6.046 89.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.202 -8.001 89.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.533 -7.423 87.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.725 -8.623 88.621 1.00 0.00 H new ATOM 65 N GLU A 5 -6.684 -10.374 88.893 1.00 0.00 N ATOM 66 CA GLU A 5 -6.036 -11.472 89.667 1.00 0.00 C ATOM 67 C GLU A 5 -4.701 -11.854 89.017 1.00 0.00 C ATOM 68 O GLU A 5 -3.751 -12.200 89.691 1.00 0.00 O ATOM 69 CB GLU A 5 -6.966 -12.695 89.702 1.00 0.00 C ATOM 70 CG GLU A 5 -7.823 -12.658 90.971 1.00 0.00 C ATOM 71 CD GLU A 5 -6.974 -13.077 92.172 1.00 0.00 C ATOM 72 OE1 GLU A 5 -6.209 -14.017 92.031 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.104 -12.453 93.212 1.00 0.00 O ATOM 0 H GLU A 5 -7.662 -10.532 88.649 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.849 -11.130 90.685 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.606 -12.702 88.820 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.377 -13.612 89.676 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.220 -11.655 91.125 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.677 -13.326 90.865 1.00 0.00 H new ATOM 80 N PHE A 6 -4.617 -11.803 87.717 1.00 0.00 N ATOM 81 CA PHE A 6 -3.339 -12.177 87.047 1.00 0.00 C ATOM 82 C PHE A 6 -2.238 -11.188 87.446 1.00 0.00 C ATOM 83 O PHE A 6 -1.227 -11.570 88.001 1.00 0.00 O ATOM 84 CB PHE A 6 -3.530 -12.165 85.526 1.00 0.00 C ATOM 85 CG PHE A 6 -2.191 -12.328 84.839 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.416 -13.472 85.073 1.00 0.00 C ATOM 87 CD2 PHE A 6 -1.728 -11.336 83.964 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.177 -13.620 84.436 1.00 0.00 C ATOM 89 CE2 PHE A 6 -0.488 -11.486 83.329 1.00 0.00 C ATOM 90 CZ PHE A 6 0.286 -12.628 83.564 1.00 0.00 C ATOM 0 H PHE A 6 -5.372 -11.521 87.092 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.047 -13.179 87.360 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.202 -12.970 85.228 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.996 -11.230 85.216 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.774 -14.239 85.744 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.327 -10.456 83.779 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.421 -14.500 84.618 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.129 -10.720 82.658 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.241 -12.744 83.072 1.00 0.00 H new ATOM 100 N MET A 7 -2.416 -9.924 87.170 1.00 0.00 N ATOM 101 CA MET A 7 -1.362 -8.934 87.540 1.00 0.00 C ATOM 102 C MET A 7 -1.353 -8.737 89.059 1.00 0.00 C ATOM 103 O MET A 7 -0.310 -8.684 89.686 1.00 0.00 O ATOM 104 CB MET A 7 -1.631 -7.596 86.825 1.00 0.00 C ATOM 105 CG MET A 7 -2.603 -6.734 87.642 1.00 0.00 C ATOM 106 SD MET A 7 -3.138 -5.315 86.649 1.00 0.00 S ATOM 107 CE MET A 7 -4.105 -6.233 85.424 1.00 0.00 C ATOM 0 H MET A 7 -3.238 -9.536 86.708 1.00 0.00 H new ATOM 0 HA MET A 7 -0.386 -9.306 87.228 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.693 -7.059 86.681 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.046 -7.783 85.835 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.467 -7.327 87.942 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.119 -6.390 88.556 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.951 -5.627 85.099 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.476 -6.468 84.565 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.471 -7.158 85.869 1.00 0.00 H new ATOM 117 N TRP A 8 -2.507 -8.622 89.653 1.00 0.00 N ATOM 118 CA TRP A 8 -2.580 -8.419 91.128 1.00 0.00 C ATOM 119 C TRP A 8 -1.794 -9.518 91.849 1.00 0.00 C ATOM 120 O TRP A 8 -1.569 -9.447 93.040 1.00 0.00 O ATOM 121 CB TRP A 8 -4.048 -8.474 91.568 1.00 0.00 C ATOM 122 CG TRP A 8 -4.188 -7.908 92.944 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.000 -8.598 94.092 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.547 -6.552 93.334 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.220 -7.751 95.162 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.558 -6.479 94.747 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.857 -5.390 92.607 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -4.871 -5.295 95.414 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -5.172 -4.196 93.275 1.00 0.00 C ATOM 130 CH2 TRP A 8 -5.176 -4.148 94.677 1.00 0.00 C ATOM 0 H TRP A 8 -3.409 -8.660 89.178 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.150 -7.450 91.380 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.667 -7.912 90.869 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.403 -9.504 91.551 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.723 -9.640 94.161 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.142 -8.032 96.139 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.853 -5.416 91.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.878 -5.265 96.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.413 -3.310 92.707 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.415 -3.226 95.186 1.00 0.00 H new ATOM 141 N ALA A 9 -1.385 -10.537 91.146 1.00 0.00 N ATOM 142 CA ALA A 9 -0.628 -11.641 91.799 1.00 0.00 C ATOM 143 C ALA A 9 0.866 -11.318 91.811 1.00 0.00 C ATOM 144 O ALA A 9 1.521 -11.419 92.829 1.00 0.00 O ATOM 145 CB ALA A 9 -0.875 -12.941 91.035 1.00 0.00 C ATOM 0 H ALA A 9 -1.543 -10.653 90.145 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.968 -11.754 92.828 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.323 -13.752 91.509 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.940 -13.172 91.045 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.539 -12.827 90.005 1.00 0.00 H new ATOM 151 N LEU A 10 1.412 -10.918 90.696 1.00 0.00 N ATOM 152 CA LEU A 10 2.863 -10.578 90.670 1.00 0.00 C ATOM 153 C LEU A 10 3.131 -9.564 91.774 1.00 0.00 C ATOM 154 O LEU A 10 4.257 -9.275 92.125 1.00 0.00 O ATOM 155 CB LEU A 10 3.236 -9.936 89.329 1.00 0.00 C ATOM 156 CG LEU A 10 3.143 -10.956 88.180 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.782 -10.847 87.487 1.00 0.00 C ATOM 158 CD2 LEU A 10 4.235 -10.659 87.146 1.00 0.00 C ATOM 0 H LEU A 10 0.921 -10.812 89.808 1.00 0.00 H new ATOM 0 HA LEU A 10 3.450 -11.486 90.810 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.572 -9.096 89.128 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.249 -9.536 89.383 1.00 0.00 H new ATOM 0 HG LEU A 10 3.268 -11.958 88.591 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.727 -11.573 86.676 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.990 -11.048 88.208 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.659 -9.842 87.083 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.171 -11.380 86.331 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.098 -9.652 86.751 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.214 -10.733 87.619 1.00 0.00 H new ATOM 170 N LYS A 11 2.086 -8.995 92.287 1.00 0.00 N ATOM 171 CA LYS A 11 2.216 -7.955 93.342 1.00 0.00 C ATOM 172 C LYS A 11 2.187 -8.558 94.753 1.00 0.00 C ATOM 173 O LYS A 11 3.153 -8.492 95.486 1.00 0.00 O ATOM 174 CB LYS A 11 1.030 -7.014 93.194 1.00 0.00 C ATOM 175 CG LYS A 11 1.104 -5.867 94.225 1.00 0.00 C ATOM 176 CD LYS A 11 -0.258 -5.685 94.905 1.00 0.00 C ATOM 177 CE LYS A 11 -1.263 -5.146 93.888 1.00 0.00 C ATOM 178 NZ LYS A 11 -1.080 -3.674 93.745 1.00 0.00 N ATOM 0 H LYS A 11 1.126 -9.209 92.017 1.00 0.00 H new ATOM 0 HA LYS A 11 3.171 -7.444 93.221 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.012 -6.601 92.185 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.101 -7.569 93.328 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.866 -6.087 94.972 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.400 -4.941 93.731 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.606 -6.636 95.308 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.169 -4.996 95.745 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.121 -5.637 92.925 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.280 -5.368 94.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.992 -3.195 93.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.396 -3.339 94.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.725 -3.459 92.791 1.00 0.00 H new ATOM 192 N ASN A 12 1.062 -9.090 95.157 1.00 0.00 N ATOM 193 CA ASN A 12 0.935 -9.633 96.543 1.00 0.00 C ATOM 194 C ASN A 12 1.597 -11.004 96.666 1.00 0.00 C ATOM 195 O ASN A 12 1.284 -11.776 97.550 1.00 0.00 O ATOM 196 CB ASN A 12 -0.546 -9.756 96.873 1.00 0.00 C ATOM 197 CG ASN A 12 -0.730 -10.036 98.364 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.620 -11.165 98.800 1.00 0.00 O ATOM 199 ND2 ASN A 12 -1.015 -9.049 99.167 1.00 0.00 N ATOM 0 H ASN A 12 0.222 -9.172 94.584 1.00 0.00 H new ATOM 0 HA ASN A 12 1.435 -8.957 97.236 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.065 -8.837 96.601 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.992 -10.559 96.286 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.146 -9.224 100.163 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.107 -8.102 98.799 1.00 0.00 H new ATOM 206 N GLY A 13 2.524 -11.304 95.811 1.00 0.00 N ATOM 207 CA GLY A 13 3.220 -12.609 95.905 1.00 0.00 C ATOM 208 C GLY A 13 2.231 -13.763 95.769 1.00 0.00 C ATOM 209 O GLY A 13 2.538 -14.883 96.125 1.00 0.00 O ATOM 0 H GLY A 13 2.831 -10.701 95.048 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.977 -12.679 95.124 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.740 -12.681 96.860 1.00 0.00 H new ATOM 213 N ASP A 14 1.057 -13.524 95.247 1.00 0.00 N ATOM 214 CA ASP A 14 0.100 -14.647 95.090 1.00 0.00 C ATOM 215 C ASP A 14 0.668 -15.574 94.026 1.00 0.00 C ATOM 216 O ASP A 14 0.018 -15.962 93.077 1.00 0.00 O ATOM 217 CB ASP A 14 -1.262 -14.132 94.660 1.00 0.00 C ATOM 218 CG ASP A 14 -1.636 -12.908 95.500 1.00 0.00 C ATOM 219 OD1 ASP A 14 -1.209 -12.847 96.642 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.342 -12.055 94.989 1.00 0.00 O ATOM 0 H ASP A 14 0.727 -12.613 94.928 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.031 -15.172 96.036 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.245 -13.869 93.602 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.013 -14.913 94.782 1.00 0.00 H new ATOM 225 N LEU A 15 1.900 -15.905 94.206 1.00 0.00 N ATOM 226 CA LEU A 15 2.628 -16.788 93.267 1.00 0.00 C ATOM 227 C LEU A 15 1.723 -17.951 92.844 1.00 0.00 C ATOM 228 O LEU A 15 1.804 -18.459 91.744 1.00 0.00 O ATOM 229 CB LEU A 15 3.877 -17.277 94.018 1.00 0.00 C ATOM 230 CG LEU A 15 4.837 -18.089 93.132 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.484 -19.578 93.214 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.788 -17.615 91.669 1.00 0.00 C ATOM 0 H LEU A 15 2.459 -15.588 94.998 1.00 0.00 H new ATOM 0 HA LEU A 15 2.919 -16.270 92.353 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.408 -16.417 94.425 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.567 -17.890 94.864 1.00 0.00 H new ATOM 0 HG LEU A 15 5.851 -17.934 93.500 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.167 -20.149 92.585 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.573 -19.917 94.246 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.461 -19.729 92.869 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.478 -18.210 91.071 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.776 -17.734 91.282 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.075 -16.565 91.617 1.00 0.00 H new ATOM 244 N ASP A 16 0.856 -18.367 93.711 1.00 0.00 N ATOM 245 CA ASP A 16 -0.062 -19.478 93.379 1.00 0.00 C ATOM 246 C ASP A 16 -1.018 -19.039 92.263 1.00 0.00 C ATOM 247 O ASP A 16 -1.502 -19.844 91.492 1.00 0.00 O ATOM 248 CB ASP A 16 -0.866 -19.828 94.625 1.00 0.00 C ATOM 249 CG ASP A 16 0.084 -20.037 95.806 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.875 -19.147 96.071 1.00 0.00 O ATOM 251 OD2 ASP A 16 0.003 -21.085 96.427 1.00 0.00 O ATOM 0 H ASP A 16 0.743 -17.980 94.648 1.00 0.00 H new ATOM 0 HA ASP A 16 0.507 -20.344 93.042 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.573 -19.029 94.850 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.451 -20.731 94.451 1.00 0.00 H new ATOM 256 N GLU A 17 -1.307 -17.767 92.186 1.00 0.00 N ATOM 257 CA GLU A 17 -2.249 -17.266 91.139 1.00 0.00 C ATOM 258 C GLU A 17 -1.543 -17.151 89.781 1.00 0.00 C ATOM 259 O GLU A 17 -2.054 -17.602 88.770 1.00 0.00 O ATOM 260 CB GLU A 17 -2.786 -15.899 91.565 1.00 0.00 C ATOM 261 CG GLU A 17 -3.810 -16.083 92.690 1.00 0.00 C ATOM 262 CD GLU A 17 -5.088 -16.703 92.124 1.00 0.00 C ATOM 263 OE1 GLU A 17 -5.424 -16.391 90.993 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.710 -17.478 92.831 1.00 0.00 O ATOM 0 H GLU A 17 -0.930 -17.049 92.805 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.073 -17.972 91.034 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.967 -15.264 91.904 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.249 -15.397 90.715 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.398 -16.723 93.470 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.034 -15.122 93.152 1.00 0.00 H new ATOM 271 N VAL A 18 -0.369 -16.578 89.732 1.00 0.00 N ATOM 272 CA VAL A 18 0.330 -16.480 88.415 1.00 0.00 C ATOM 273 C VAL A 18 0.623 -17.903 87.959 1.00 0.00 C ATOM 274 O VAL A 18 0.517 -18.241 86.797 1.00 0.00 O ATOM 275 CB VAL A 18 1.667 -15.723 88.563 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.564 -14.305 87.991 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.052 -15.653 90.040 1.00 0.00 C ATOM 0 H VAL A 18 0.129 -16.181 90.529 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.293 -15.943 87.700 1.00 0.00 H new ATOM 0 HB VAL A 18 2.432 -16.263 88.005 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.520 -13.795 88.109 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.308 -14.357 86.933 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.790 -13.753 88.524 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.996 -15.119 90.145 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.274 -15.128 90.594 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.161 -16.663 90.436 1.00 0.00 H new ATOM 287 N LYS A 19 0.986 -18.736 88.886 1.00 0.00 N ATOM 288 CA LYS A 19 1.288 -20.141 88.562 1.00 0.00 C ATOM 289 C LYS A 19 0.158 -20.730 87.726 1.00 0.00 C ATOM 290 O LYS A 19 0.377 -21.525 86.840 1.00 0.00 O ATOM 291 CB LYS A 19 1.406 -20.910 89.878 1.00 0.00 C ATOM 292 CG LYS A 19 2.828 -20.801 90.430 1.00 0.00 C ATOM 293 CD LYS A 19 3.690 -21.915 89.839 1.00 0.00 C ATOM 294 CE LYS A 19 5.128 -21.765 90.327 1.00 0.00 C ATOM 295 NZ LYS A 19 5.245 -22.315 91.707 1.00 0.00 N ATOM 0 H LYS A 19 1.087 -18.493 89.872 1.00 0.00 H new ATOM 0 HA LYS A 19 2.216 -20.210 87.994 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.695 -20.514 90.604 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.149 -21.957 89.719 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.252 -19.828 90.182 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.814 -20.875 91.517 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.296 -22.888 90.132 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.659 -21.874 88.750 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.808 -22.290 89.656 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.419 -20.715 90.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.044 -21.862 92.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.367 -22.126 92.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.406 -23.341 91.659 1.00 0.00 H new ATOM 309 N ASP A 20 -1.050 -20.354 88.016 1.00 0.00 N ATOM 310 CA ASP A 20 -2.206 -20.906 87.261 1.00 0.00 C ATOM 311 C ASP A 20 -2.125 -20.500 85.789 1.00 0.00 C ATOM 312 O ASP A 20 -2.143 -21.337 84.908 1.00 0.00 O ATOM 313 CB ASP A 20 -3.507 -20.373 87.864 1.00 0.00 C ATOM 314 CG ASP A 20 -4.695 -21.103 87.235 1.00 0.00 C ATOM 315 OD1 ASP A 20 -5.094 -20.719 86.148 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.186 -22.035 87.852 1.00 0.00 O ATOM 0 H ASP A 20 -1.290 -19.685 88.747 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.184 -21.994 87.328 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.507 -20.519 88.944 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.590 -19.301 87.687 1.00 0.00 H new ATOM 321 N TYR A 21 -2.046 -19.229 85.509 1.00 0.00 N ATOM 322 CA TYR A 21 -1.976 -18.790 84.084 1.00 0.00 C ATOM 323 C TYR A 21 -0.715 -19.355 83.428 1.00 0.00 C ATOM 324 O TYR A 21 -0.765 -19.956 82.373 1.00 0.00 O ATOM 325 CB TYR A 21 -1.936 -17.262 84.019 1.00 0.00 C ATOM 326 CG TYR A 21 -3.247 -16.699 84.514 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.432 -16.456 85.880 1.00 0.00 C ATOM 328 CD2 TYR A 21 -4.276 -16.420 83.607 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.646 -15.933 86.340 1.00 0.00 C ATOM 330 CE2 TYR A 21 -5.491 -15.897 84.067 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.676 -15.654 85.433 1.00 0.00 C ATOM 332 OH TYR A 21 -6.873 -15.139 85.887 1.00 0.00 O ATOM 0 H TYR A 21 -2.027 -18.478 86.199 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.856 -19.157 83.555 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.114 -16.884 84.626 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.752 -16.936 82.995 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.638 -16.672 86.579 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.133 -16.608 82.553 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.788 -15.745 87.394 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.285 -15.681 83.368 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.479 -15.002 85.129 1.00 0.00 H new ATOM 342 N VAL A 22 0.416 -19.154 84.041 1.00 0.00 N ATOM 343 CA VAL A 22 1.690 -19.660 83.462 1.00 0.00 C ATOM 344 C VAL A 22 1.712 -21.191 83.501 1.00 0.00 C ATOM 345 O VAL A 22 2.367 -21.825 82.699 1.00 0.00 O ATOM 346 CB VAL A 22 2.861 -19.079 84.258 1.00 0.00 C ATOM 347 CG1 VAL A 22 4.163 -19.785 83.880 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.977 -17.589 83.942 1.00 0.00 C ATOM 0 H VAL A 22 0.513 -18.657 84.926 1.00 0.00 H new ATOM 0 HA VAL A 22 1.775 -19.348 82.421 1.00 0.00 H new ATOM 0 HB VAL A 22 2.683 -19.225 85.323 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.987 -19.361 84.454 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.077 -20.849 84.100 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.355 -19.649 82.816 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.808 -17.162 84.503 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.153 -17.456 82.875 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.052 -17.084 84.223 1.00 0.00 H new ATOM 358 N ALA A 23 0.996 -21.800 84.410 1.00 0.00 N ATOM 359 CA ALA A 23 0.988 -23.288 84.457 1.00 0.00 C ATOM 360 C ALA A 23 0.419 -23.798 83.137 1.00 0.00 C ATOM 361 O ALA A 23 0.594 -24.941 82.764 1.00 0.00 O ATOM 362 CB ALA A 23 0.097 -23.772 85.604 1.00 0.00 C ATOM 0 H ALA A 23 0.423 -21.335 85.114 1.00 0.00 H new ATOM 0 HA ALA A 23 2.000 -23.660 84.615 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.098 -24.862 85.630 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.479 -23.386 86.549 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.921 -23.413 85.450 1.00 0.00 H new ATOM 368 N LYS A 24 -0.270 -22.943 82.437 1.00 0.00 N ATOM 369 CA LYS A 24 -0.873 -23.335 81.146 1.00 0.00 C ATOM 370 C LYS A 24 0.218 -23.800 80.180 1.00 0.00 C ATOM 371 O LYS A 24 0.445 -24.982 80.013 1.00 0.00 O ATOM 372 CB LYS A 24 -1.611 -22.129 80.557 1.00 0.00 C ATOM 373 CG LYS A 24 -2.590 -22.603 79.477 1.00 0.00 C ATOM 374 CD LYS A 24 -2.769 -21.515 78.421 1.00 0.00 C ATOM 375 CE LYS A 24 -3.536 -20.336 79.025 1.00 0.00 C ATOM 376 NZ LYS A 24 -3.924 -19.392 77.940 1.00 0.00 N ATOM 0 H LYS A 24 -0.440 -21.976 82.713 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.574 -24.155 81.302 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.149 -21.600 81.343 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.896 -21.425 80.131 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.217 -23.515 79.012 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.552 -22.846 79.928 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.796 -21.182 78.059 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.310 -21.913 77.562 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.424 -20.694 79.546 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.918 -19.825 79.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.445 -18.590 78.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.069 -19.042 77.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.529 -19.884 77.252 1.00 0.00 H new ATOM 390 N GLY A 25 0.894 -22.885 79.542 1.00 0.00 N ATOM 391 CA GLY A 25 1.960 -23.284 78.581 1.00 0.00 C ATOM 392 C GLY A 25 3.056 -22.222 78.539 1.00 0.00 C ATOM 393 O GLY A 25 3.252 -21.557 77.541 1.00 0.00 O ATOM 0 H GLY A 25 0.755 -21.880 79.644 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.385 -24.244 78.875 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.533 -23.416 77.587 1.00 0.00 H new ATOM 397 N GLU A 26 3.768 -22.073 79.618 1.00 0.00 N ATOM 398 CA GLU A 26 4.875 -21.069 79.688 1.00 0.00 C ATOM 399 C GLU A 26 4.523 -19.814 78.887 1.00 0.00 C ATOM 400 O GLU A 26 5.063 -19.573 77.825 1.00 0.00 O ATOM 401 CB GLU A 26 6.186 -21.673 79.160 1.00 0.00 C ATOM 402 CG GLU A 26 5.940 -22.471 77.876 1.00 0.00 C ATOM 403 CD GLU A 26 7.281 -22.967 77.329 1.00 0.00 C ATOM 404 OE1 GLU A 26 7.832 -23.886 77.912 1.00 0.00 O ATOM 405 OE2 GLU A 26 7.735 -22.417 76.339 1.00 0.00 O ATOM 0 H GLU A 26 3.631 -22.612 80.473 1.00 0.00 H new ATOM 0 HA GLU A 26 5.009 -20.790 80.733 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.906 -20.878 78.967 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.624 -22.322 79.918 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.281 -23.315 78.079 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.440 -21.847 77.136 1.00 0.00 H new ATOM 412 N ASP A 27 3.636 -19.004 79.402 1.00 0.00 N ATOM 413 CA ASP A 27 3.256 -17.746 78.694 1.00 0.00 C ATOM 414 C ASP A 27 3.876 -16.572 79.446 1.00 0.00 C ATOM 415 O ASP A 27 3.218 -15.599 79.756 1.00 0.00 O ATOM 416 CB ASP A 27 1.733 -17.593 78.684 1.00 0.00 C ATOM 417 CG ASP A 27 1.130 -18.529 77.636 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.657 -18.573 76.537 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.149 -19.184 77.950 1.00 0.00 O ATOM 0 H ASP A 27 3.156 -19.161 80.288 1.00 0.00 H new ATOM 0 HA ASP A 27 3.614 -17.775 77.665 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.328 -17.824 79.669 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.463 -16.561 78.463 1.00 0.00 H new ATOM 424 N VAL A 28 5.137 -16.676 79.757 1.00 0.00 N ATOM 425 CA VAL A 28 5.822 -15.589 80.510 1.00 0.00 C ATOM 426 C VAL A 28 6.605 -14.699 79.547 1.00 0.00 C ATOM 427 O VAL A 28 7.818 -14.642 79.566 1.00 0.00 O ATOM 428 CB VAL A 28 6.764 -16.214 81.532 1.00 0.00 C ATOM 429 CG1 VAL A 28 5.942 -17.053 82.507 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.787 -17.112 80.828 1.00 0.00 C ATOM 0 H VAL A 28 5.727 -17.473 79.520 1.00 0.00 H new ATOM 0 HA VAL A 28 5.082 -14.975 81.023 1.00 0.00 H new ATOM 0 HB VAL A 28 7.295 -15.426 82.066 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.604 -17.507 83.245 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.217 -16.416 83.013 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.417 -17.836 81.960 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.455 -17.553 81.568 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.266 -17.905 80.291 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.369 -16.518 80.123 1.00 0.00 H new ATOM 440 N ASN A 29 5.905 -13.997 78.708 1.00 0.00 N ATOM 441 CA ASN A 29 6.565 -13.098 77.737 1.00 0.00 C ATOM 442 C ASN A 29 5.479 -12.327 76.987 1.00 0.00 C ATOM 443 O ASN A 29 5.647 -11.927 75.851 1.00 0.00 O ATOM 444 CB ASN A 29 7.391 -13.926 76.753 1.00 0.00 C ATOM 445 CG ASN A 29 6.670 -15.239 76.454 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.011 -15.367 75.442 1.00 0.00 O ATOM 447 ND2 ASN A 29 6.770 -16.228 77.296 1.00 0.00 N ATOM 0 H ASN A 29 4.886 -14.010 78.655 1.00 0.00 H new ATOM 0 HA ASN A 29 7.229 -12.403 78.252 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.545 -13.366 75.831 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.377 -14.128 77.171 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.295 -17.110 77.105 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.324 -16.120 78.146 1.00 0.00 H new ATOM 454 N ARG A 30 4.359 -12.121 77.632 1.00 0.00 N ATOM 455 CA ARG A 30 3.232 -11.383 77.005 1.00 0.00 C ATOM 456 C ARG A 30 3.134 -10.005 77.644 1.00 0.00 C ATOM 457 O ARG A 30 3.348 -9.839 78.828 1.00 0.00 O ATOM 458 CB ARG A 30 1.929 -12.149 77.246 1.00 0.00 C ATOM 459 CG ARG A 30 1.974 -12.796 78.629 1.00 0.00 C ATOM 460 CD ARG A 30 0.572 -13.271 79.024 1.00 0.00 C ATOM 461 NE ARG A 30 -0.152 -13.743 77.811 1.00 0.00 N ATOM 462 CZ ARG A 30 -1.255 -14.429 77.932 1.00 0.00 C ATOM 463 NH1 ARG A 30 -1.733 -14.693 79.118 1.00 0.00 N ATOM 464 NH2 ARG A 30 -1.882 -14.850 76.868 1.00 0.00 N ATOM 0 H ARG A 30 4.179 -12.441 78.584 1.00 0.00 H new ATOM 0 HA ARG A 30 3.401 -11.284 75.933 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.077 -11.472 77.176 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.794 -12.912 76.479 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.666 -13.638 78.624 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.346 -12.082 79.363 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.642 -14.076 79.755 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.021 -12.458 79.497 1.00 0.00 H new ATOM 0 HE ARG A 30 0.215 -13.529 76.884 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.244 -14.363 79.950 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.595 -15.229 79.212 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.510 -14.643 75.941 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.744 -15.386 76.963 1.00 0.00 H new ATOM 478 N THR A 31 2.809 -9.018 76.872 1.00 0.00 N ATOM 479 CA THR A 31 2.693 -7.645 77.436 1.00 0.00 C ATOM 480 C THR A 31 1.679 -7.661 78.583 1.00 0.00 C ATOM 481 O THR A 31 0.607 -8.223 78.471 1.00 0.00 O ATOM 482 CB THR A 31 2.237 -6.668 76.347 1.00 0.00 C ATOM 483 OG1 THR A 31 2.809 -7.050 75.104 1.00 0.00 O ATOM 484 CG2 THR A 31 2.696 -5.253 76.705 1.00 0.00 C ATOM 0 H THR A 31 2.617 -9.097 75.873 1.00 0.00 H new ATOM 0 HA THR A 31 3.664 -7.320 77.811 1.00 0.00 H new ATOM 0 HB THR A 31 1.150 -6.688 76.271 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.518 -6.428 74.405 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.372 -4.558 75.930 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.261 -4.960 77.660 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.783 -5.231 76.780 1.00 0.00 H new ATOM 492 N LEU A 32 2.019 -7.063 79.691 1.00 0.00 N ATOM 493 CA LEU A 32 1.090 -7.060 80.857 1.00 0.00 C ATOM 494 C LEU A 32 -0.067 -6.072 80.624 1.00 0.00 C ATOM 495 O LEU A 32 -1.106 -6.437 80.111 1.00 0.00 O ATOM 496 CB LEU A 32 1.883 -6.684 82.124 1.00 0.00 C ATOM 497 CG LEU A 32 1.536 -7.641 83.268 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.477 -7.387 84.445 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.093 -7.400 83.714 1.00 0.00 C ATOM 0 H LEU A 32 2.902 -6.575 79.840 1.00 0.00 H new ATOM 0 HA LEU A 32 0.657 -8.052 80.982 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.953 -6.725 81.918 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.653 -5.659 82.415 1.00 0.00 H new ATOM 0 HG LEU A 32 1.646 -8.670 82.927 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.232 -8.067 85.260 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.507 -7.555 84.130 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.365 -6.358 84.785 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.155 -8.081 84.528 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.015 -6.371 84.056 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.581 -7.576 82.876 1.00 0.00 H new ATOM 511 N GLU A 33 0.089 -4.835 81.016 1.00 0.00 N ATOM 512 CA GLU A 33 -1.020 -3.851 80.838 1.00 0.00 C ATOM 513 C GLU A 33 -1.022 -3.270 79.419 1.00 0.00 C ATOM 514 O GLU A 33 -2.062 -3.156 78.801 1.00 0.00 O ATOM 515 CB GLU A 33 -0.875 -2.722 81.863 1.00 0.00 C ATOM 516 CG GLU A 33 0.356 -1.876 81.536 1.00 0.00 C ATOM 517 CD GLU A 33 0.728 -1.028 82.755 1.00 0.00 C ATOM 518 OE1 GLU A 33 0.830 -1.589 83.834 1.00 0.00 O ATOM 519 OE2 GLU A 33 0.904 0.168 82.589 1.00 0.00 O ATOM 0 H GLU A 33 0.934 -4.464 81.451 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.967 -4.368 80.993 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.768 -2.097 81.857 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.784 -3.139 82.866 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.190 -2.520 81.259 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.152 -1.233 80.680 1.00 0.00 H new ATOM 526 N GLY A 34 0.114 -2.886 78.894 1.00 0.00 N ATOM 527 CA GLY A 34 0.118 -2.302 77.516 1.00 0.00 C ATOM 528 C GLY A 34 1.529 -2.309 76.926 1.00 0.00 C ATOM 529 O GLY A 34 1.710 -2.318 75.725 1.00 0.00 O ATOM 0 H GLY A 34 1.025 -2.949 79.349 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.553 -2.872 76.873 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.262 -1.281 77.548 1.00 0.00 H new ATOM 533 N GLY A 35 2.526 -2.301 77.757 1.00 0.00 N ATOM 534 CA GLY A 35 3.925 -2.304 77.246 1.00 0.00 C ATOM 535 C GLY A 35 4.855 -2.824 78.343 1.00 0.00 C ATOM 536 O GLY A 35 6.047 -2.592 78.324 1.00 0.00 O ATOM 0 H GLY A 35 2.436 -2.292 78.773 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.000 -2.933 76.359 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.219 -1.297 76.949 1.00 0.00 H new ATOM 540 N ARG A 36 4.305 -3.515 79.306 1.00 0.00 N ATOM 541 CA ARG A 36 5.128 -4.049 80.427 1.00 0.00 C ATOM 542 C ARG A 36 5.070 -5.580 80.423 1.00 0.00 C ATOM 543 O ARG A 36 4.217 -6.173 79.794 1.00 0.00 O ATOM 544 CB ARG A 36 4.560 -3.499 81.735 1.00 0.00 C ATOM 545 CG ARG A 36 4.205 -2.022 81.532 1.00 0.00 C ATOM 546 CD ARG A 36 3.849 -1.385 82.875 1.00 0.00 C ATOM 547 NE ARG A 36 5.085 -1.233 83.693 1.00 0.00 N ATOM 548 CZ ARG A 36 5.082 -0.457 84.742 1.00 0.00 C ATOM 549 NH1 ARG A 36 3.998 0.188 85.077 1.00 0.00 N ATOM 550 NH2 ARG A 36 6.169 -0.319 85.451 1.00 0.00 N ATOM 0 H ARG A 36 3.310 -3.734 79.363 1.00 0.00 H new ATOM 0 HA ARG A 36 6.169 -3.745 80.318 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.675 -4.063 82.030 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.289 -3.606 82.538 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.046 -1.495 81.081 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.366 -1.932 80.843 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.382 -0.413 82.717 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.124 -2.004 83.403 1.00 0.00 H new ATOM 0 HE ARG A 36 5.934 -1.736 83.433 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.151 0.086 84.518 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.998 0.794 85.897 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.018 -0.817 85.185 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.169 0.287 86.271 1.00 0.00 H new ATOM 564 N LYS A 37 5.985 -6.218 81.111 1.00 0.00 N ATOM 565 CA LYS A 37 6.012 -7.716 81.147 1.00 0.00 C ATOM 566 C LYS A 37 5.723 -8.202 82.584 1.00 0.00 C ATOM 567 O LYS A 37 5.826 -7.435 83.521 1.00 0.00 O ATOM 568 CB LYS A 37 7.398 -8.215 80.680 1.00 0.00 C ATOM 569 CG LYS A 37 8.410 -7.064 80.695 1.00 0.00 C ATOM 570 CD LYS A 37 8.679 -6.637 82.139 1.00 0.00 C ATOM 571 CE LYS A 37 9.332 -5.254 82.160 1.00 0.00 C ATOM 572 NZ LYS A 37 10.257 -5.122 81.000 1.00 0.00 N ATOM 0 H LYS A 37 6.720 -5.763 81.653 1.00 0.00 H new ATOM 0 HA LYS A 37 5.248 -8.116 80.480 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.741 -9.019 81.331 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.323 -8.630 79.675 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.339 -7.377 80.218 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.026 -6.221 80.121 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.745 -6.616 82.701 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.329 -7.363 82.627 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.567 -4.479 82.118 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.879 -5.113 83.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.916 -4.336 81.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.794 -6.005 80.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.707 -4.933 80.137 1.00 0.00 H new ATOM 586 N PRO A 38 5.348 -9.457 82.718 1.00 0.00 N ATOM 587 CA PRO A 38 5.029 -10.045 84.037 1.00 0.00 C ATOM 588 C PRO A 38 6.300 -10.235 84.891 1.00 0.00 C ATOM 589 O PRO A 38 6.433 -11.220 85.584 1.00 0.00 O ATOM 590 CB PRO A 38 4.397 -11.411 83.703 1.00 0.00 C ATOM 591 CG PRO A 38 4.667 -11.692 82.204 1.00 0.00 C ATOM 592 CD PRO A 38 5.193 -10.386 81.579 1.00 0.00 C ATOM 0 HA PRO A 38 4.368 -9.403 84.620 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.828 -12.196 84.324 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.326 -11.398 83.904 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.396 -12.494 82.089 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.755 -12.017 81.704 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.142 -10.547 81.068 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.495 -9.992 80.840 1.00 0.00 H new ATOM 600 N LEU A 39 7.235 -9.318 84.853 1.00 0.00 N ATOM 601 CA LEU A 39 8.479 -9.492 85.672 1.00 0.00 C ATOM 602 C LEU A 39 8.787 -8.196 86.435 1.00 0.00 C ATOM 603 O LEU A 39 9.556 -8.181 87.377 1.00 0.00 O ATOM 604 CB LEU A 39 9.632 -9.834 84.719 1.00 0.00 C ATOM 605 CG LEU A 39 10.891 -10.352 85.457 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.554 -11.057 86.774 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.633 -11.341 84.552 1.00 0.00 C ATOM 0 H LEU A 39 7.194 -8.464 84.297 1.00 0.00 H new ATOM 0 HA LEU A 39 8.346 -10.293 86.400 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.297 -10.590 84.008 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.895 -8.947 84.142 1.00 0.00 H new ATOM 0 HG LEU A 39 11.508 -9.484 85.690 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.473 -11.400 87.249 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.040 -10.362 87.438 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.908 -11.912 86.574 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.521 -11.709 85.066 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.978 -12.179 84.314 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.929 -10.839 83.631 1.00 0.00 H new ATOM 619 N HIS A 40 8.194 -7.106 86.035 1.00 0.00 N ATOM 620 CA HIS A 40 8.457 -5.814 86.733 1.00 0.00 C ATOM 621 C HIS A 40 7.711 -5.783 88.072 1.00 0.00 C ATOM 622 O HIS A 40 8.253 -5.386 89.085 1.00 0.00 O ATOM 623 CB HIS A 40 7.980 -4.660 85.848 1.00 0.00 C ATOM 624 CG HIS A 40 8.044 -3.366 86.613 1.00 0.00 C ATOM 625 ND1 HIS A 40 7.081 -3.010 87.545 1.00 0.00 N ATOM 626 CD2 HIS A 40 8.943 -2.328 86.588 1.00 0.00 C ATOM 627 CE1 HIS A 40 7.419 -1.805 88.038 1.00 0.00 C ATOM 628 NE2 HIS A 40 8.547 -1.344 87.489 1.00 0.00 N ATOM 0 H HIS A 40 7.539 -7.053 85.255 1.00 0.00 H new ATOM 0 HA HIS A 40 9.526 -5.713 86.922 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.601 -4.595 84.954 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.959 -4.845 85.514 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.823 -2.282 85.964 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.849 -1.275 88.786 1.00 0.00 H new ATOM 0 HE2 HIS A 40 9.017 -0.461 87.688 1.00 0.00 H new ATOM 636 N TYR A 41 6.477 -6.205 88.090 1.00 0.00 N ATOM 637 CA TYR A 41 5.709 -6.208 89.367 1.00 0.00 C ATOM 638 C TYR A 41 6.270 -7.302 90.267 1.00 0.00 C ATOM 639 O TYR A 41 6.418 -7.130 91.460 1.00 0.00 O ATOM 640 CB TYR A 41 4.237 -6.486 89.074 1.00 0.00 C ATOM 641 CG TYR A 41 3.726 -5.445 88.118 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.055 -5.525 86.761 1.00 0.00 C ATOM 643 CD2 TYR A 41 2.932 -4.396 88.587 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.588 -4.553 85.871 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.462 -3.426 87.700 1.00 0.00 C ATOM 646 CZ TYR A 41 2.790 -3.501 86.341 1.00 0.00 C ATOM 647 OH TYR A 41 2.326 -2.538 85.470 1.00 0.00 O ATOM 0 H TYR A 41 5.967 -6.548 87.276 1.00 0.00 H new ATOM 0 HA TYR A 41 5.796 -5.240 89.861 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.119 -7.481 88.646 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.658 -6.466 89.998 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.669 -6.337 86.401 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.682 -4.335 89.636 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.842 -4.613 84.823 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.845 -2.617 88.062 1.00 0.00 H new ATOM 0 HH TYR A 41 1.493 -2.846 85.056 1.00 0.00 H new ATOM 657 N ALA A 42 6.612 -8.421 89.691 1.00 0.00 N ATOM 658 CA ALA A 42 7.194 -9.526 90.495 1.00 0.00 C ATOM 659 C ALA A 42 8.549 -9.060 90.994 1.00 0.00 C ATOM 660 O ALA A 42 8.829 -9.062 92.173 1.00 0.00 O ATOM 661 CB ALA A 42 7.361 -10.762 89.610 1.00 0.00 C ATOM 0 H ALA A 42 6.512 -8.616 88.695 1.00 0.00 H new ATOM 0 HA ALA A 42 6.547 -9.783 91.334 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.788 -11.575 90.197 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.389 -11.066 89.223 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.026 -10.527 88.779 1.00 0.00 H new ATOM 667 N ALA A 43 9.387 -8.629 90.107 1.00 0.00 N ATOM 668 CA ALA A 43 10.713 -8.134 90.539 1.00 0.00 C ATOM 669 C ALA A 43 10.494 -7.033 91.581 1.00 0.00 C ATOM 670 O ALA A 43 10.948 -7.118 92.706 1.00 0.00 O ATOM 671 CB ALA A 43 11.440 -7.547 89.325 1.00 0.00 C ATOM 0 H ALA A 43 9.213 -8.597 89.102 1.00 0.00 H new ATOM 0 HA ALA A 43 11.308 -8.942 90.965 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.419 -7.178 89.630 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.564 -8.320 88.566 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.855 -6.725 88.913 1.00 0.00 H new ATOM 677 N ASP A 44 9.790 -6.004 91.201 1.00 0.00 N ATOM 678 CA ASP A 44 9.520 -4.868 92.126 1.00 0.00 C ATOM 679 C ASP A 44 8.869 -5.341 93.433 1.00 0.00 C ATOM 680 O ASP A 44 9.124 -4.789 94.484 1.00 0.00 O ATOM 681 CB ASP A 44 8.582 -3.880 91.431 1.00 0.00 C ATOM 682 CG ASP A 44 8.266 -2.723 92.379 1.00 0.00 C ATOM 683 OD1 ASP A 44 7.723 -2.984 93.439 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.571 -1.596 92.027 1.00 0.00 O ATOM 0 H ASP A 44 9.383 -5.901 90.271 1.00 0.00 H new ATOM 0 HA ASP A 44 10.471 -4.396 92.375 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.046 -3.501 90.520 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.662 -4.383 91.135 1.00 0.00 H new ATOM 689 N CYS A 45 8.024 -6.334 93.390 1.00 0.00 N ATOM 690 CA CYS A 45 7.363 -6.790 94.652 1.00 0.00 C ATOM 691 C CYS A 45 6.783 -8.187 94.456 1.00 0.00 C ATOM 692 O CYS A 45 5.588 -8.390 94.533 1.00 0.00 O ATOM 693 CB CYS A 45 6.220 -5.832 94.999 1.00 0.00 C ATOM 694 SG CYS A 45 6.881 -4.353 95.804 1.00 0.00 S ATOM 0 H CYS A 45 7.763 -6.846 92.548 1.00 0.00 H new ATOM 0 HA CYS A 45 8.100 -6.806 95.455 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.680 -5.554 94.094 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.506 -6.327 95.657 1.00 0.00 H new ATOM 0 HG CYS A 45 7.831 -3.849 95.074 1.00 0.00 H new ATOM 700 N GLY A 46 7.624 -9.147 94.202 1.00 0.00 N ATOM 701 CA GLY A 46 7.135 -10.543 93.996 1.00 0.00 C ATOM 702 C GLY A 46 7.619 -11.426 95.143 1.00 0.00 C ATOM 703 O GLY A 46 7.858 -12.603 94.963 1.00 0.00 O ATOM 0 H GLY A 46 8.634 -9.028 94.127 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.046 -10.555 93.948 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.500 -10.931 93.045 1.00 0.00 H new ATOM 707 N GLN A 47 7.798 -10.873 96.312 1.00 0.00 N ATOM 708 CA GLN A 47 8.301 -11.705 97.439 1.00 0.00 C ATOM 709 C GLN A 47 9.580 -12.396 96.965 1.00 0.00 C ATOM 710 O GLN A 47 10.097 -13.295 97.595 1.00 0.00 O ATOM 711 CB GLN A 47 7.244 -12.742 97.828 1.00 0.00 C ATOM 712 CG GLN A 47 6.153 -12.079 98.676 1.00 0.00 C ATOM 713 CD GLN A 47 5.748 -10.736 98.059 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.935 -9.697 98.661 1.00 0.00 O ATOM 715 NE2 GLN A 47 5.194 -10.714 96.877 1.00 0.00 N ATOM 0 H GLN A 47 7.620 -9.893 96.533 1.00 0.00 H new ATOM 0 HA GLN A 47 8.508 -11.090 98.315 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.805 -13.181 96.932 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.708 -13.555 98.387 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.284 -12.734 98.742 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.515 -11.926 99.693 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.037 -11.586 96.371 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.918 -9.825 96.459 1.00 0.00 H new ATOM 724 N LEU A 48 10.082 -11.944 95.847 1.00 0.00 N ATOM 725 CA LEU A 48 11.333 -12.496 95.256 1.00 0.00 C ATOM 726 C LEU A 48 11.144 -13.943 94.814 1.00 0.00 C ATOM 727 O LEU A 48 12.061 -14.584 94.341 1.00 0.00 O ATOM 728 CB LEU A 48 12.474 -12.397 96.253 1.00 0.00 C ATOM 729 CG LEU A 48 12.904 -10.922 96.472 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.235 -9.942 95.484 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.560 -10.492 97.903 1.00 0.00 C ATOM 0 H LEU A 48 9.661 -11.191 95.303 1.00 0.00 H new ATOM 0 HA LEU A 48 11.578 -11.903 94.375 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.168 -12.834 97.204 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.325 -12.977 95.895 1.00 0.00 H new ATOM 0 HG LEU A 48 13.979 -10.881 96.297 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.577 -8.928 95.690 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.503 -10.215 94.463 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.152 -9.990 95.601 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.863 -9.456 98.054 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.485 -10.583 98.062 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.087 -11.131 98.612 1.00 0.00 H new ATOM 743 N GLU A 49 9.969 -14.455 94.945 1.00 0.00 N ATOM 744 CA GLU A 49 9.708 -15.842 94.503 1.00 0.00 C ATOM 745 C GLU A 49 9.096 -15.812 93.103 1.00 0.00 C ATOM 746 O GLU A 49 9.363 -16.655 92.270 1.00 0.00 O ATOM 747 CB GLU A 49 8.730 -16.499 95.461 1.00 0.00 C ATOM 748 CG GLU A 49 9.108 -16.165 96.904 1.00 0.00 C ATOM 749 CD GLU A 49 8.291 -17.042 97.856 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.194 -16.640 98.203 1.00 0.00 O ATOM 751 OE2 GLU A 49 8.776 -18.101 98.220 1.00 0.00 O ATOM 0 H GLU A 49 9.165 -13.970 95.344 1.00 0.00 H new ATOM 0 HA GLU A 49 10.641 -16.406 94.488 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.717 -16.155 95.253 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.736 -17.579 95.316 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.174 -16.332 97.061 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.917 -15.111 97.108 1.00 0.00 H new ATOM 758 N ILE A 50 8.241 -14.858 92.858 1.00 0.00 N ATOM 759 CA ILE A 50 7.560 -14.775 91.543 1.00 0.00 C ATOM 760 C ILE A 50 8.545 -14.471 90.418 1.00 0.00 C ATOM 761 O ILE A 50 8.419 -14.992 89.330 1.00 0.00 O ATOM 762 CB ILE A 50 6.491 -13.688 91.602 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.634 -13.894 92.883 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.645 -13.771 90.327 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.133 -13.702 92.616 1.00 0.00 C ATOM 0 H ILE A 50 7.985 -14.127 93.522 1.00 0.00 H new ATOM 0 HA ILE A 50 7.104 -15.742 91.331 1.00 0.00 H new ATOM 0 HB ILE A 50 6.936 -12.694 91.654 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.806 -14.896 93.275 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.957 -13.191 93.651 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.874 -13.001 90.351 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.283 -13.619 89.456 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.175 -14.753 90.265 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.576 -13.856 93.540 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.955 -12.691 92.250 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.801 -14.423 91.868 1.00 0.00 H new ATOM 777 N LEU A 51 9.520 -13.641 90.642 1.00 0.00 N ATOM 778 CA LEU A 51 10.457 -13.360 89.531 1.00 0.00 C ATOM 779 C LEU A 51 11.147 -14.672 89.145 1.00 0.00 C ATOM 780 O LEU A 51 11.139 -15.074 88.002 1.00 0.00 O ATOM 781 CB LEU A 51 11.504 -12.264 89.872 1.00 0.00 C ATOM 782 CG LEU A 51 11.738 -12.028 91.374 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.467 -11.528 92.070 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.255 -13.299 92.037 1.00 0.00 C ATOM 0 H LEU A 51 9.705 -13.158 91.521 1.00 0.00 H new ATOM 0 HA LEU A 51 9.884 -12.962 88.693 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.454 -12.535 89.411 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.185 -11.326 89.418 1.00 0.00 H new ATOM 0 HG LEU A 51 12.494 -11.249 91.477 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.670 -11.372 93.130 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.151 -10.587 91.619 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.675 -12.268 91.957 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.416 -13.116 93.099 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.523 -14.097 91.913 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.196 -13.594 91.573 1.00 0.00 H new ATOM 796 N GLU A 52 11.725 -15.345 90.088 1.00 0.00 N ATOM 797 CA GLU A 52 12.405 -16.636 89.793 1.00 0.00 C ATOM 798 C GLU A 52 11.419 -17.608 89.132 1.00 0.00 C ATOM 799 O GLU A 52 11.793 -18.434 88.324 1.00 0.00 O ATOM 800 CB GLU A 52 12.896 -17.252 91.120 1.00 0.00 C ATOM 801 CG GLU A 52 14.417 -17.144 91.243 1.00 0.00 C ATOM 802 CD GLU A 52 15.077 -18.294 90.479 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.846 -19.433 90.848 1.00 0.00 O ATOM 804 OE2 GLU A 52 15.802 -18.017 89.539 1.00 0.00 O ATOM 0 H GLU A 52 11.759 -15.056 91.066 1.00 0.00 H new ATOM 0 HA GLU A 52 13.244 -16.458 89.120 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.422 -16.743 91.959 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.596 -18.299 91.172 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.757 -16.188 90.846 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.710 -17.176 92.292 1.00 0.00 H new ATOM 811 N PHE A 53 10.170 -17.542 89.500 1.00 0.00 N ATOM 812 CA PHE A 53 9.169 -18.489 88.941 1.00 0.00 C ATOM 813 C PHE A 53 9.035 -18.352 87.429 1.00 0.00 C ATOM 814 O PHE A 53 9.634 -19.083 86.669 1.00 0.00 O ATOM 815 CB PHE A 53 7.801 -18.217 89.572 1.00 0.00 C ATOM 816 CG PHE A 53 6.721 -18.875 88.739 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.862 -20.207 88.331 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.584 -18.146 88.365 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.870 -20.810 87.551 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.589 -18.753 87.585 1.00 0.00 C ATOM 821 CZ PHE A 53 4.734 -20.085 87.178 1.00 0.00 C ATOM 0 H PHE A 53 9.798 -16.867 90.169 1.00 0.00 H new ATOM 0 HA PHE A 53 9.513 -19.498 89.169 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.775 -18.603 90.591 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.624 -17.143 89.634 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.738 -20.769 88.619 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.474 -17.118 88.677 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.982 -21.837 87.236 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.711 -18.193 87.298 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.969 -20.552 86.576 1.00 0.00 H new ATOM 831 N LEU A 54 8.204 -17.455 86.996 1.00 0.00 N ATOM 832 CA LEU A 54 7.964 -17.299 85.539 1.00 0.00 C ATOM 833 C LEU A 54 9.275 -17.083 84.783 1.00 0.00 C ATOM 834 O LEU A 54 9.350 -17.300 83.588 1.00 0.00 O ATOM 835 CB LEU A 54 7.005 -16.128 85.286 1.00 0.00 C ATOM 836 CG LEU A 54 7.044 -15.118 86.429 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.464 -14.594 86.611 1.00 0.00 C ATOM 838 CD2 LEU A 54 6.123 -13.951 86.079 1.00 0.00 C ATOM 0 H LEU A 54 7.676 -16.818 87.592 1.00 0.00 H new ATOM 0 HA LEU A 54 7.510 -18.218 85.169 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.271 -15.633 84.352 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.990 -16.507 85.168 1.00 0.00 H new ATOM 0 HG LEU A 54 6.718 -15.597 87.352 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.484 -13.873 87.429 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.131 -15.424 86.843 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.793 -14.109 85.692 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.140 -13.219 86.887 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.465 -13.481 85.157 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.106 -14.318 85.943 1.00 0.00 H new ATOM 850 N LEU A 55 10.310 -16.675 85.452 1.00 0.00 N ATOM 851 CA LEU A 55 11.601 -16.472 84.743 1.00 0.00 C ATOM 852 C LEU A 55 12.205 -17.836 84.418 1.00 0.00 C ATOM 853 O LEU A 55 12.677 -18.075 83.325 1.00 0.00 O ATOM 854 CB LEU A 55 12.553 -15.673 85.638 1.00 0.00 C ATOM 855 CG LEU A 55 13.757 -15.175 84.830 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.521 -14.137 85.657 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.698 -16.340 84.484 1.00 0.00 C ATOM 0 H LEU A 55 10.321 -16.474 86.452 1.00 0.00 H new ATOM 0 HA LEU A 55 11.439 -15.918 83.818 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.025 -14.826 86.075 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.895 -16.297 86.464 1.00 0.00 H new ATOM 0 HG LEU A 55 13.398 -14.729 83.902 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.379 -13.778 85.088 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.863 -13.299 85.888 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.866 -14.593 86.585 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.546 -15.965 83.911 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.058 -16.802 85.403 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.159 -17.080 83.893 1.00 0.00 H new ATOM 869 N LEU A 56 12.185 -18.741 85.352 1.00 0.00 N ATOM 870 CA LEU A 56 12.759 -20.084 85.077 1.00 0.00 C ATOM 871 C LEU A 56 11.992 -20.738 83.929 1.00 0.00 C ATOM 872 O LEU A 56 12.548 -21.483 83.148 1.00 0.00 O ATOM 873 CB LEU A 56 12.746 -20.950 86.350 1.00 0.00 C ATOM 874 CG LEU A 56 11.363 -21.582 86.593 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.340 -23.012 86.040 1.00 0.00 C ATOM 876 CD2 LEU A 56 11.074 -21.633 88.102 1.00 0.00 C ATOM 0 H LEU A 56 11.799 -18.611 86.287 1.00 0.00 H new ATOM 0 HA LEU A 56 13.801 -19.983 84.774 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.496 -21.737 86.263 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.023 -20.339 87.209 1.00 0.00 H new ATOM 0 HG LEU A 56 10.608 -20.979 86.090 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.359 -23.454 86.215 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.543 -22.991 84.969 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.101 -23.609 86.542 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.095 -22.081 88.270 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.837 -22.232 88.599 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.085 -20.622 88.509 1.00 0.00 H new ATOM 888 N LYS A 57 10.734 -20.429 83.787 1.00 0.00 N ATOM 889 CA LYS A 57 9.964 -20.998 82.649 1.00 0.00 C ATOM 890 C LYS A 57 10.591 -20.421 81.380 1.00 0.00 C ATOM 891 O LYS A 57 11.488 -20.994 80.794 1.00 0.00 O ATOM 892 CB LYS A 57 8.483 -20.570 82.743 1.00 0.00 C ATOM 893 CG LYS A 57 7.620 -21.733 83.248 1.00 0.00 C ATOM 894 CD LYS A 57 7.917 -21.980 84.727 1.00 0.00 C ATOM 895 CE LYS A 57 7.256 -23.286 85.168 1.00 0.00 C ATOM 896 NZ LYS A 57 5.788 -23.208 84.928 1.00 0.00 N ATOM 0 H LYS A 57 10.209 -19.811 84.406 1.00 0.00 H new ATOM 0 HA LYS A 57 9.997 -22.088 82.653 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.386 -19.718 83.416 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.129 -20.245 81.765 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.563 -21.503 83.111 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.827 -22.633 82.669 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.994 -22.032 84.889 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.544 -21.150 85.327 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.681 -24.125 84.617 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.453 -23.467 86.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.308 -23.960 85.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.434 -22.281 85.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.595 -23.328 83.913 1.00 0.00 H new ATOM 910 N GLY A 58 10.161 -19.256 80.994 1.00 0.00 N ATOM 911 CA GLY A 58 10.752 -18.580 79.813 1.00 0.00 C ATOM 912 C GLY A 58 11.872 -17.683 80.335 1.00 0.00 C ATOM 913 O GLY A 58 12.802 -18.157 80.956 1.00 0.00 O ATOM 0 H GLY A 58 9.414 -18.737 81.455 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.140 -19.310 79.103 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.000 -17.993 79.287 1.00 0.00 H new ATOM 917 N ALA A 59 11.784 -16.394 80.134 1.00 0.00 N ATOM 918 CA ALA A 59 12.848 -15.498 80.675 1.00 0.00 C ATOM 919 C ALA A 59 12.722 -14.075 80.124 1.00 0.00 C ATOM 920 O ALA A 59 13.479 -13.655 79.270 1.00 0.00 O ATOM 921 CB ALA A 59 14.225 -16.067 80.337 1.00 0.00 C ATOM 0 H ALA A 59 11.032 -15.928 79.626 1.00 0.00 H new ATOM 0 HA ALA A 59 12.726 -15.448 81.757 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.998 -15.409 80.734 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.328 -17.057 80.780 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.332 -16.141 79.255 1.00 0.00 H new ATOM 927 N ASP A 60 11.805 -13.313 80.651 1.00 0.00 N ATOM 928 CA ASP A 60 11.664 -11.896 80.217 1.00 0.00 C ATOM 929 C ASP A 60 12.810 -11.131 80.873 1.00 0.00 C ATOM 930 O ASP A 60 12.919 -9.924 80.796 1.00 0.00 O ATOM 931 CB ASP A 60 10.313 -11.340 80.682 1.00 0.00 C ATOM 932 CG ASP A 60 10.235 -9.841 80.385 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.663 -9.065 81.225 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.741 -9.493 79.324 1.00 0.00 O ATOM 0 H ASP A 60 11.144 -13.613 81.367 1.00 0.00 H new ATOM 0 HA ASP A 60 11.702 -11.803 79.132 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.501 -11.862 80.175 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.187 -11.515 81.750 1.00 0.00 H new ATOM 939 N ILE A 61 13.657 -11.872 81.530 1.00 0.00 N ATOM 940 CA ILE A 61 14.831 -11.299 82.242 1.00 0.00 C ATOM 941 C ILE A 61 15.683 -10.446 81.300 1.00 0.00 C ATOM 942 O ILE A 61 16.403 -9.565 81.727 1.00 0.00 O ATOM 943 CB ILE A 61 15.669 -12.474 82.749 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.682 -12.001 83.796 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.408 -13.117 81.571 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.793 -13.047 83.948 1.00 0.00 C ATOM 0 H ILE A 61 13.580 -12.886 81.604 1.00 0.00 H new ATOM 0 HA ILE A 61 14.493 -10.661 83.059 1.00 0.00 H new ATOM 0 HB ILE A 61 15.006 -13.205 83.212 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.109 -11.044 83.497 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.184 -11.843 84.753 1.00 0.00 H new ATOM 0 HG21 ILE A 61 17.006 -13.955 81.930 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.684 -13.475 80.839 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.061 -12.379 81.104 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.512 -12.708 84.693 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.359 -13.995 84.267 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.298 -13.183 82.992 1.00 0.00 H new ATOM 958 N ASN A 62 15.627 -10.725 80.028 1.00 0.00 N ATOM 959 CA ASN A 62 16.460 -9.958 79.053 1.00 0.00 C ATOM 960 C ASN A 62 15.639 -9.615 77.803 1.00 0.00 C ATOM 961 O ASN A 62 15.761 -8.539 77.247 1.00 0.00 O ATOM 962 CB ASN A 62 17.667 -10.811 78.644 1.00 0.00 C ATOM 963 CG ASN A 62 17.187 -12.125 78.020 1.00 0.00 C ATOM 964 OD1 ASN A 62 17.823 -12.654 77.130 1.00 0.00 O ATOM 965 ND2 ASN A 62 16.085 -12.677 78.451 1.00 0.00 N ATOM 0 H ASN A 62 15.040 -11.452 79.618 1.00 0.00 H new ATOM 0 HA ASN A 62 16.794 -9.033 79.522 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.286 -10.264 77.932 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.290 -11.017 79.515 1.00 0.00 H new ATOM 0 HD21 ASN A 62 15.758 -13.552 78.041 1.00 0.00 H new ATOM 0 HD22 ASN A 62 15.551 -12.233 79.198 1.00 0.00 H new ATOM 972 N ALA A 63 14.801 -10.530 77.382 1.00 0.00 N ATOM 973 CA ALA A 63 13.924 -10.331 76.176 1.00 0.00 C ATOM 974 C ALA A 63 13.684 -8.842 75.850 1.00 0.00 C ATOM 975 O ALA A 63 13.935 -8.430 74.732 1.00 0.00 O ATOM 976 CB ALA A 63 12.578 -11.036 76.416 1.00 0.00 C ATOM 0 H ALA A 63 14.682 -11.436 77.836 1.00 0.00 H new ATOM 0 HA ALA A 63 14.439 -10.762 75.317 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.935 -10.898 75.547 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.748 -12.101 76.575 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.096 -10.610 77.296 1.00 0.00 H new ATOM 982 N PRO A 64 13.216 -8.063 76.813 1.00 0.00 N ATOM 983 CA PRO A 64 12.934 -6.628 76.629 1.00 0.00 C ATOM 984 C PRO A 64 13.638 -6.011 75.411 1.00 0.00 C ATOM 985 O PRO A 64 14.809 -6.210 75.166 1.00 0.00 O ATOM 986 CB PRO A 64 13.402 -6.045 77.971 1.00 0.00 C ATOM 987 CG PRO A 64 13.284 -7.214 79.004 1.00 0.00 C ATOM 988 CD PRO A 64 12.945 -8.488 78.197 1.00 0.00 C ATOM 0 HA PRO A 64 11.889 -6.417 76.404 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.428 -5.683 77.904 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.784 -5.197 78.267 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.217 -7.341 79.553 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.507 -7.004 79.739 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.566 -9.334 78.492 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.907 -8.792 78.333 1.00 0.00 H new ATOM 996 N ASP A 65 12.884 -5.255 74.641 1.00 0.00 N ATOM 997 CA ASP A 65 13.432 -4.600 73.418 1.00 0.00 C ATOM 998 C ASP A 65 12.921 -3.155 73.357 1.00 0.00 C ATOM 999 O ASP A 65 13.687 -2.220 73.229 1.00 0.00 O ATOM 1000 CB ASP A 65 12.940 -5.362 72.183 1.00 0.00 C ATOM 1001 CG ASP A 65 13.758 -6.641 72.004 1.00 0.00 C ATOM 1002 OD1 ASP A 65 14.930 -6.533 71.680 1.00 0.00 O ATOM 1003 OD2 ASP A 65 13.198 -7.709 72.193 1.00 0.00 O ATOM 0 H ASP A 65 11.897 -5.065 74.817 1.00 0.00 H new ATOM 0 HA ASP A 65 14.522 -4.606 73.446 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.884 -5.607 72.293 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.031 -4.734 71.297 1.00 0.00 H new ATOM 1008 N LYS A 66 11.630 -2.972 73.454 1.00 0.00 N ATOM 1009 CA LYS A 66 11.056 -1.605 73.410 1.00 0.00 C ATOM 1010 C LYS A 66 11.104 -1.004 74.814 1.00 0.00 C ATOM 1011 O LYS A 66 11.027 0.196 74.996 1.00 0.00 O ATOM 1012 CB LYS A 66 9.613 -1.703 72.930 1.00 0.00 C ATOM 1013 CG LYS A 66 9.163 -0.346 72.396 1.00 0.00 C ATOM 1014 CD LYS A 66 9.594 -0.175 70.932 1.00 0.00 C ATOM 1015 CE LYS A 66 8.861 1.019 70.317 1.00 0.00 C ATOM 1016 NZ LYS A 66 7.413 0.695 70.176 1.00 0.00 N ATOM 0 H LYS A 66 10.947 -3.722 73.563 1.00 0.00 H new ATOM 0 HA LYS A 66 11.623 -0.969 72.730 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.528 -2.459 72.150 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.966 -2.016 73.749 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.079 -0.259 72.475 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.592 0.451 73.003 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.672 -0.021 70.875 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.371 -1.081 70.369 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.988 1.900 70.946 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.287 1.259 69.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.005 1.259 69.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.303 -0.317 69.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.920 0.916 71.065 1.00 0.00 H new ATOM 1030 N HIS A 67 11.251 -1.838 75.805 1.00 0.00 N ATOM 1031 CA HIS A 67 11.328 -1.350 77.205 1.00 0.00 C ATOM 1032 C HIS A 67 12.744 -0.844 77.461 1.00 0.00 C ATOM 1033 O HIS A 67 13.064 -0.365 78.531 1.00 0.00 O ATOM 1034 CB HIS A 67 11.025 -2.516 78.146 1.00 0.00 C ATOM 1035 CG HIS A 67 9.940 -3.373 77.559 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.737 -4.683 77.963 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.988 -3.123 76.604 1.00 0.00 C ATOM 1038 CE1 HIS A 67 8.700 -5.168 77.259 1.00 0.00 C ATOM 1039 NE2 HIS A 67 8.204 -4.258 76.416 1.00 0.00 N ATOM 0 H HIS A 67 11.322 -2.850 75.700 1.00 0.00 H new ATOM 0 HA HIS A 67 10.611 -0.547 77.374 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.925 -3.110 78.305 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.716 -2.138 79.121 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.865 -2.188 76.078 1.00 0.00 H new ATOM 0 HE1 HIS A 67 8.314 -6.172 77.362 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.420 -4.371 75.773 1.00 0.00 H new ATOM 1047 N HIS A 68 13.591 -0.952 76.473 1.00 0.00 N ATOM 1048 CA HIS A 68 14.998 -0.490 76.623 1.00 0.00 C ATOM 1049 C HIS A 68 15.530 -0.861 78.006 1.00 0.00 C ATOM 1050 O HIS A 68 16.456 -0.251 78.499 1.00 0.00 O ATOM 1051 CB HIS A 68 15.051 1.030 76.466 1.00 0.00 C ATOM 1052 CG HIS A 68 14.596 1.412 75.086 1.00 0.00 C ATOM 1053 ND1 HIS A 68 15.402 1.245 73.972 1.00 0.00 N ATOM 1054 CD2 HIS A 68 13.425 1.959 74.625 1.00 0.00 C ATOM 1055 CE1 HIS A 68 14.712 1.684 72.904 1.00 0.00 C ATOM 1056 NE2 HIS A 68 13.501 2.130 73.246 1.00 0.00 N ATOM 0 H HIS A 68 13.364 -1.345 75.559 1.00 0.00 H new ATOM 0 HA HIS A 68 15.610 -0.970 75.859 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.416 1.505 77.213 1.00 0.00 H new ATOM 0 HB3 HIS A 68 16.066 1.388 76.637 1.00 0.00 H new ATOM 0 HD2 HIS A 68 12.575 2.217 75.238 1.00 0.00 H new ATOM 0 HE1 HIS A 68 15.091 1.677 71.893 1.00 0.00 H new ATOM 0 HE2 HIS A 68 12.785 2.514 72.629 1.00 0.00 H new ATOM 1064 N ILE A 69 14.960 -1.842 78.652 1.00 0.00 N ATOM 1065 CA ILE A 69 15.475 -2.191 80.002 1.00 0.00 C ATOM 1066 C ILE A 69 15.098 -3.607 80.406 1.00 0.00 C ATOM 1067 O ILE A 69 14.113 -4.168 79.965 1.00 0.00 O ATOM 1068 CB ILE A 69 14.906 -1.200 81.025 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.057 -0.572 81.817 1.00 0.00 C ATOM 1070 CG2 ILE A 69 13.930 -1.898 81.997 1.00 0.00 C ATOM 1071 CD1 ILE A 69 16.836 -1.650 82.579 1.00 0.00 C ATOM 0 H ILE A 69 14.179 -2.404 78.312 1.00 0.00 H new ATOM 0 HA ILE A 69 16.563 -2.134 79.974 1.00 0.00 H new ATOM 0 HB ILE A 69 14.356 -0.428 80.487 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.726 -0.042 81.139 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.664 0.165 82.518 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.543 -1.170 82.710 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.102 -2.329 81.434 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.454 -2.688 82.534 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.650 -1.186 83.136 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.167 -2.161 83.272 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.246 -2.371 81.872 1.00 0.00 H new ATOM 1083 N THR A 70 15.889 -4.156 81.280 1.00 0.00 N ATOM 1084 CA THR A 70 15.642 -5.518 81.810 1.00 0.00 C ATOM 1085 C THR A 70 15.169 -5.367 83.276 1.00 0.00 C ATOM 1086 O THR A 70 15.371 -4.331 83.872 1.00 0.00 O ATOM 1087 CB THR A 70 16.937 -6.320 81.702 1.00 0.00 C ATOM 1088 OG1 THR A 70 16.982 -7.291 82.734 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.121 -5.353 81.811 1.00 0.00 C ATOM 0 H THR A 70 16.720 -3.702 81.659 1.00 0.00 H new ATOM 0 HA THR A 70 14.874 -6.050 81.248 1.00 0.00 H new ATOM 0 HB THR A 70 16.985 -6.839 80.745 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.016 -8.187 82.339 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.054 -5.911 81.736 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.069 -4.622 81.004 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.083 -4.838 82.771 1.00 0.00 H new ATOM 1097 N PRO A 71 14.492 -6.355 83.801 1.00 0.00 N ATOM 1098 CA PRO A 71 13.918 -6.272 85.168 1.00 0.00 C ATOM 1099 C PRO A 71 14.960 -6.216 86.309 1.00 0.00 C ATOM 1100 O PRO A 71 14.603 -5.896 87.428 1.00 0.00 O ATOM 1101 CB PRO A 71 13.042 -7.530 85.281 1.00 0.00 C ATOM 1102 CG PRO A 71 13.013 -8.183 83.881 1.00 0.00 C ATOM 1103 CD PRO A 71 14.212 -7.625 83.111 1.00 0.00 C ATOM 0 HA PRO A 71 13.371 -5.337 85.290 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.450 -8.219 86.020 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.035 -7.271 85.608 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.074 -9.268 83.959 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.081 -7.952 83.366 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.066 -8.301 83.150 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.977 -7.468 82.058 1.00 0.00 H new ATOM 1111 N LEU A 72 16.220 -6.510 86.098 1.00 0.00 N ATOM 1112 CA LEU A 72 17.143 -6.431 87.267 1.00 0.00 C ATOM 1113 C LEU A 72 17.088 -5.016 87.817 1.00 0.00 C ATOM 1114 O LEU A 72 17.098 -4.801 89.013 1.00 0.00 O ATOM 1115 CB LEU A 72 18.610 -6.773 86.913 1.00 0.00 C ATOM 1116 CG LEU A 72 18.747 -7.679 85.673 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.566 -8.661 85.535 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.864 -6.802 84.425 1.00 0.00 C ATOM 0 H LEU A 72 16.634 -6.789 85.208 1.00 0.00 H new ATOM 0 HA LEU A 72 16.814 -7.170 87.998 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.159 -5.847 86.740 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.076 -7.265 87.766 1.00 0.00 H new ATOM 0 HG LEU A 72 19.646 -8.284 85.790 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.707 -9.278 84.647 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.519 -9.300 86.417 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.636 -8.101 85.443 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.961 -7.435 83.543 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.972 -6.183 84.330 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.742 -6.162 84.511 1.00 0.00 H new ATOM 1130 N LEU A 73 17.028 -4.049 86.954 1.00 0.00 N ATOM 1131 CA LEU A 73 16.973 -2.648 87.436 1.00 0.00 C ATOM 1132 C LEU A 73 15.590 -2.366 87.999 1.00 0.00 C ATOM 1133 O LEU A 73 15.416 -1.520 88.848 1.00 0.00 O ATOM 1134 CB LEU A 73 17.298 -1.693 86.295 1.00 0.00 C ATOM 1135 CG LEU A 73 18.665 -2.083 85.704 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.502 -3.184 84.644 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.345 -0.844 85.096 1.00 0.00 C ATOM 0 H LEU A 73 17.015 -4.166 85.941 1.00 0.00 H new ATOM 0 HA LEU A 73 17.711 -2.500 88.224 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.526 -1.743 85.528 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.321 -0.665 86.657 1.00 0.00 H new ATOM 0 HG LEU A 73 19.295 -2.473 86.504 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.479 -3.446 84.238 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.051 -4.065 85.101 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.860 -2.823 83.840 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.312 -1.127 84.680 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.716 -0.434 84.306 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.490 -0.091 85.871 1.00 0.00 H new ATOM 1149 N SER A 74 14.599 -3.079 87.564 1.00 0.00 N ATOM 1150 CA SER A 74 13.262 -2.837 88.141 1.00 0.00 C ATOM 1151 C SER A 74 13.424 -2.971 89.654 1.00 0.00 C ATOM 1152 O SER A 74 12.858 -2.228 90.437 1.00 0.00 O ATOM 1153 CB SER A 74 12.264 -3.874 87.612 1.00 0.00 C ATOM 1154 OG SER A 74 11.022 -3.714 88.284 1.00 0.00 O ATOM 0 H SER A 74 14.655 -3.804 86.849 1.00 0.00 H new ATOM 0 HA SER A 74 12.879 -1.853 87.871 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.128 -3.750 86.538 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.650 -4.881 87.771 1.00 0.00 H new ATOM 0 HG SER A 74 10.640 -4.595 88.480 1.00 0.00 H new ATOM 1160 N ALA A 75 14.227 -3.916 90.063 1.00 0.00 N ATOM 1161 CA ALA A 75 14.472 -4.122 91.518 1.00 0.00 C ATOM 1162 C ALA A 75 15.467 -3.086 92.078 1.00 0.00 C ATOM 1163 O ALA A 75 15.282 -2.599 93.175 1.00 0.00 O ATOM 1164 CB ALA A 75 15.013 -5.533 91.754 1.00 0.00 C ATOM 0 H ALA A 75 14.726 -4.558 89.447 1.00 0.00 H new ATOM 0 HA ALA A 75 13.524 -3.994 92.040 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.191 -5.681 92.819 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.286 -6.265 91.403 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.948 -5.660 91.209 1.00 0.00 H new ATOM 1170 N VAL A 76 16.537 -2.753 91.376 1.00 0.00 N ATOM 1171 CA VAL A 76 17.500 -1.770 91.973 1.00 0.00 C ATOM 1172 C VAL A 76 16.725 -0.559 92.502 1.00 0.00 C ATOM 1173 O VAL A 76 16.888 -0.165 93.639 1.00 0.00 O ATOM 1174 CB VAL A 76 18.596 -1.319 90.978 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.320 -2.532 90.397 1.00 0.00 C ATOM 1176 CG2 VAL A 76 18.002 -0.477 89.856 1.00 0.00 C ATOM 0 H VAL A 76 16.775 -3.107 90.450 1.00 0.00 H new ATOM 0 HA VAL A 76 18.017 -2.272 92.791 1.00 0.00 H new ATOM 0 HB VAL A 76 19.314 -0.706 91.523 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.088 -2.198 89.699 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.785 -3.099 91.204 1.00 0.00 H new ATOM 0 HG13 VAL A 76 18.605 -3.166 89.873 1.00 0.00 H new ATOM 0 HG21 VAL A 76 18.794 -0.173 89.171 1.00 0.00 H new ATOM 0 HG22 VAL A 76 17.259 -1.063 89.315 1.00 0.00 H new ATOM 0 HG23 VAL A 76 17.528 0.409 90.278 1.00 0.00 H new ATOM 1186 N TYR A 77 15.863 0.023 91.709 1.00 0.00 N ATOM 1187 CA TYR A 77 15.073 1.184 92.214 1.00 0.00 C ATOM 1188 C TYR A 77 13.963 0.666 93.137 1.00 0.00 C ATOM 1189 O TYR A 77 12.850 1.150 93.101 1.00 0.00 O ATOM 1190 CB TYR A 77 14.417 1.945 91.051 1.00 0.00 C ATOM 1191 CG TYR A 77 15.304 1.927 89.830 1.00 0.00 C ATOM 1192 CD1 TYR A 77 16.545 2.572 89.856 1.00 0.00 C ATOM 1193 CD2 TYR A 77 14.875 1.279 88.665 1.00 0.00 C ATOM 1194 CE1 TYR A 77 17.359 2.565 88.716 1.00 0.00 C ATOM 1195 CE2 TYR A 77 15.687 1.277 87.526 1.00 0.00 C ATOM 1196 CZ TYR A 77 16.929 1.919 87.552 1.00 0.00 C ATOM 1197 OH TYR A 77 17.728 1.918 86.428 1.00 0.00 O ATOM 0 H TYR A 77 15.674 -0.251 90.745 1.00 0.00 H new ATOM 0 HA TYR A 77 15.745 1.856 92.748 1.00 0.00 H new ATOM 0 HB2 TYR A 77 13.454 1.494 90.813 1.00 0.00 H new ATOM 0 HB3 TYR A 77 14.222 2.975 91.349 1.00 0.00 H new ATOM 0 HD1 TYR A 77 16.875 3.074 90.753 1.00 0.00 H new ATOM 0 HD2 TYR A 77 13.917 0.781 88.646 1.00 0.00 H new ATOM 0 HE1 TYR A 77 18.319 3.059 88.736 1.00 0.00 H new ATOM 0 HE2 TYR A 77 15.355 0.780 86.627 1.00 0.00 H new ATOM 0 HH TYR A 77 17.281 1.425 85.709 1.00 0.00 H new ATOM 1207 N GLU A 78 14.239 -0.327 93.946 1.00 0.00 N ATOM 1208 CA GLU A 78 13.168 -0.868 94.836 1.00 0.00 C ATOM 1209 C GLU A 78 13.672 -1.059 96.267 1.00 0.00 C ATOM 1210 O GLU A 78 12.929 -0.915 97.217 1.00 0.00 O ATOM 1211 CB GLU A 78 12.718 -2.223 94.290 1.00 0.00 C ATOM 1212 CG GLU A 78 11.322 -2.542 94.820 1.00 0.00 C ATOM 1213 CD GLU A 78 10.302 -1.642 94.120 1.00 0.00 C ATOM 1214 OE1 GLU A 78 10.614 -1.153 93.046 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.230 -1.455 94.669 1.00 0.00 O ATOM 0 H GLU A 78 15.149 -0.781 94.028 1.00 0.00 H new ATOM 0 HA GLU A 78 12.343 -0.156 94.855 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.710 -2.205 93.200 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.420 -3.001 94.591 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.083 -3.590 94.642 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.284 -2.385 95.898 1.00 0.00 H new ATOM 1222 N GLY A 79 14.907 -1.426 96.436 1.00 0.00 N ATOM 1223 CA GLY A 79 15.420 -1.671 97.810 1.00 0.00 C ATOM 1224 C GLY A 79 15.247 -3.160 98.090 1.00 0.00 C ATOM 1225 O GLY A 79 15.683 -3.676 99.099 1.00 0.00 O ATOM 0 H GLY A 79 15.583 -1.567 95.685 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.468 -1.383 97.888 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.871 -1.075 98.539 1.00 0.00 H new ATOM 1229 N HIS A 80 14.631 -3.849 97.168 1.00 0.00 N ATOM 1230 CA HIS A 80 14.436 -5.311 97.326 1.00 0.00 C ATOM 1231 C HIS A 80 15.775 -5.967 97.021 1.00 0.00 C ATOM 1232 O HIS A 80 16.376 -6.609 97.860 1.00 0.00 O ATOM 1233 CB HIS A 80 13.389 -5.799 96.308 1.00 0.00 C ATOM 1234 CG HIS A 80 12.025 -5.811 96.937 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.190 -6.909 96.856 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.338 -4.864 97.654 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.054 -6.604 97.504 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.090 -5.367 98.012 1.00 0.00 N ATOM 0 H HIS A 80 14.253 -3.455 96.307 1.00 0.00 H new ATOM 0 HA HIS A 80 14.092 -5.558 98.331 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.389 -5.148 95.434 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.647 -6.799 95.961 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.708 -3.880 97.902 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.214 -7.275 97.603 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.361 -4.894 98.546 1.00 0.00 H new ATOM 1246 N VAL A 81 16.244 -5.779 95.823 1.00 0.00 N ATOM 1247 CA VAL A 81 17.549 -6.349 95.404 1.00 0.00 C ATOM 1248 C VAL A 81 17.796 -7.719 96.037 1.00 0.00 C ATOM 1249 O VAL A 81 18.884 -8.263 95.973 1.00 0.00 O ATOM 1250 CB VAL A 81 18.666 -5.352 95.725 1.00 0.00 C ATOM 1251 CG1 VAL A 81 18.792 -4.347 94.573 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.321 -4.577 96.998 1.00 0.00 C ATOM 0 H VAL A 81 15.766 -5.241 95.100 1.00 0.00 H new ATOM 0 HA VAL A 81 17.535 -6.515 94.327 1.00 0.00 H new ATOM 0 HB VAL A 81 19.599 -5.898 95.862 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.586 -3.635 94.797 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.030 -4.878 93.651 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.850 -3.813 94.451 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.120 -3.869 97.221 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.386 -4.035 96.852 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.211 -5.273 97.829 1.00 0.00 H new ATOM 1262 N SER A 82 16.785 -8.324 96.575 1.00 0.00 N ATOM 1263 CA SER A 82 16.970 -9.692 97.101 1.00 0.00 C ATOM 1264 C SER A 82 16.942 -10.573 95.859 1.00 0.00 C ATOM 1265 O SER A 82 17.384 -11.704 95.846 1.00 0.00 O ATOM 1266 CB SER A 82 15.824 -10.046 98.051 1.00 0.00 C ATOM 1267 OG SER A 82 16.228 -9.787 99.389 1.00 0.00 O ATOM 0 H SER A 82 15.847 -7.935 96.673 1.00 0.00 H new ATOM 0 HA SER A 82 17.892 -9.812 97.670 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.939 -9.459 97.806 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.553 -11.096 97.937 1.00 0.00 H new ATOM 0 HG SER A 82 15.496 -10.011 100.001 1.00 0.00 H new ATOM 1273 N CYS A 83 16.419 -10.007 94.797 1.00 0.00 N ATOM 1274 CA CYS A 83 16.329 -10.714 93.498 1.00 0.00 C ATOM 1275 C CYS A 83 17.646 -10.533 92.731 1.00 0.00 C ATOM 1276 O CYS A 83 18.288 -11.498 92.370 1.00 0.00 O ATOM 1277 CB CYS A 83 15.178 -10.111 92.686 1.00 0.00 C ATOM 1278 SG CYS A 83 15.062 -8.342 93.049 1.00 0.00 S ATOM 0 H CYS A 83 16.043 -9.059 94.786 1.00 0.00 H new ATOM 0 HA CYS A 83 16.149 -11.776 93.662 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.348 -10.266 91.621 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.241 -10.608 92.935 1.00 0.00 H new ATOM 0 HG CYS A 83 14.529 -8.174 94.223 1.00 0.00 H new ATOM 1284 N VAL A 84 18.051 -9.301 92.477 1.00 0.00 N ATOM 1285 CA VAL A 84 19.329 -9.065 91.724 1.00 0.00 C ATOM 1286 C VAL A 84 20.352 -10.108 92.141 1.00 0.00 C ATOM 1287 O VAL A 84 21.127 -10.585 91.342 1.00 0.00 O ATOM 1288 CB VAL A 84 19.899 -7.681 92.031 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.943 -6.601 91.537 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.106 -7.553 93.527 1.00 0.00 C ATOM 0 H VAL A 84 17.553 -8.457 92.758 1.00 0.00 H new ATOM 0 HA VAL A 84 19.115 -9.133 90.657 1.00 0.00 H new ATOM 0 HB VAL A 84 20.854 -7.556 91.520 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.358 -5.618 91.760 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.806 -6.701 90.460 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.981 -6.711 92.037 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.513 -6.568 93.755 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.152 -7.679 94.038 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.803 -8.320 93.865 1.00 0.00 H new ATOM 1300 N LYS A 85 20.359 -10.467 93.392 1.00 0.00 N ATOM 1301 CA LYS A 85 21.334 -11.482 93.863 1.00 0.00 C ATOM 1302 C LYS A 85 21.004 -12.850 93.227 1.00 0.00 C ATOM 1303 O LYS A 85 21.772 -13.394 92.452 1.00 0.00 O ATOM 1304 CB LYS A 85 21.254 -11.548 95.402 1.00 0.00 C ATOM 1305 CG LYS A 85 22.583 -11.081 96.035 1.00 0.00 C ATOM 1306 CD LYS A 85 22.306 -10.313 97.336 1.00 0.00 C ATOM 1307 CE LYS A 85 22.009 -8.844 97.015 1.00 0.00 C ATOM 1308 NZ LYS A 85 21.205 -8.247 98.116 1.00 0.00 N ATOM 0 H LYS A 85 19.731 -10.101 94.108 1.00 0.00 H new ATOM 0 HA LYS A 85 22.348 -11.213 93.568 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.436 -10.921 95.756 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.033 -12.568 95.717 1.00 0.00 H new ATOM 0 HG2 LYS A 85 23.220 -11.942 96.240 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.124 -10.444 95.335 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.461 -10.759 97.860 1.00 0.00 H new ATOM 0 HD3 LYS A 85 23.166 -10.383 98.001 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.941 -8.292 96.891 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.466 -8.769 96.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.242 -8.050 97.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.160 -8.913 98.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 21.650 -7.361 98.430 1.00 0.00 H new ATOM 1322 N LEU A 86 19.867 -13.403 93.534 1.00 0.00 N ATOM 1323 CA LEU A 86 19.484 -14.711 92.943 1.00 0.00 C ATOM 1324 C LEU A 86 19.277 -14.522 91.427 1.00 0.00 C ATOM 1325 O LEU A 86 19.073 -15.456 90.685 1.00 0.00 O ATOM 1326 CB LEU A 86 18.213 -15.192 93.690 1.00 0.00 C ATOM 1327 CG LEU A 86 17.055 -15.588 92.757 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.613 -14.402 91.875 1.00 0.00 C ATOM 1329 CD2 LEU A 86 17.448 -16.807 91.899 1.00 0.00 C ATOM 0 H LEU A 86 19.182 -13.002 94.174 1.00 0.00 H new ATOM 0 HA LEU A 86 20.252 -15.476 93.058 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.472 -16.047 94.315 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.874 -14.400 94.358 1.00 0.00 H new ATOM 0 HG LEU A 86 16.202 -15.867 93.375 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.794 -14.715 91.228 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.280 -13.581 92.510 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.452 -14.071 91.263 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.618 -17.074 91.245 1.00 0.00 H new ATOM 0 HD22 LEU A 86 18.321 -16.561 91.295 1.00 0.00 H new ATOM 0 HD23 LEU A 86 17.683 -17.649 92.550 1.00 0.00 H new ATOM 1341 N LEU A 87 19.330 -13.307 90.961 1.00 0.00 N ATOM 1342 CA LEU A 87 19.113 -13.058 89.508 1.00 0.00 C ATOM 1343 C LEU A 87 20.320 -13.510 88.683 1.00 0.00 C ATOM 1344 O LEU A 87 20.244 -14.475 87.946 1.00 0.00 O ATOM 1345 CB LEU A 87 18.884 -11.556 89.305 1.00 0.00 C ATOM 1346 CG LEU A 87 17.494 -11.286 88.720 1.00 0.00 C ATOM 1347 CD1 LEU A 87 17.135 -9.809 88.915 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.486 -11.621 87.231 1.00 0.00 C ATOM 0 H LEU A 87 19.514 -12.475 91.522 1.00 0.00 H new ATOM 0 HA LEU A 87 18.247 -13.629 89.173 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.989 -11.037 90.258 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.647 -11.155 88.638 1.00 0.00 H new ATOM 0 HG LEU A 87 16.761 -11.910 89.232 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.146 -9.617 88.499 1.00 0.00 H new ATOM 0 HD12 LEU A 87 17.133 -9.572 89.979 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.870 -9.186 88.406 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.495 -11.427 86.820 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.220 -11.003 86.715 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.737 -12.673 87.093 1.00 0.00 H new ATOM 1360 N LEU A 88 21.427 -12.820 88.760 1.00 0.00 N ATOM 1361 CA LEU A 88 22.578 -13.244 87.926 1.00 0.00 C ATOM 1362 C LEU A 88 22.876 -14.710 88.189 1.00 0.00 C ATOM 1363 O LEU A 88 23.612 -15.344 87.460 1.00 0.00 O ATOM 1364 CB LEU A 88 23.824 -12.366 88.153 1.00 0.00 C ATOM 1365 CG LEU A 88 24.505 -12.636 89.505 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.464 -12.631 90.617 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.247 -13.986 89.484 1.00 0.00 C ATOM 0 H LEU A 88 21.579 -12.002 89.350 1.00 0.00 H new ATOM 0 HA LEU A 88 22.307 -13.114 86.878 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.539 -12.543 87.349 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.538 -11.316 88.099 1.00 0.00 H new ATOM 0 HG LEU A 88 25.234 -11.847 89.689 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.952 -12.823 91.573 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.971 -11.659 90.650 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.723 -13.407 90.425 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.721 -14.156 90.451 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.537 -14.788 89.282 1.00 0.00 H new ATOM 0 HD23 LEU A 88 26.009 -13.971 88.704 1.00 0.00 H new ATOM 1379 N SER A 89 22.280 -15.268 89.203 1.00 0.00 N ATOM 1380 CA SER A 89 22.507 -16.711 89.474 1.00 0.00 C ATOM 1381 C SER A 89 22.176 -17.461 88.187 1.00 0.00 C ATOM 1382 O SER A 89 22.556 -18.598 87.988 1.00 0.00 O ATOM 1383 CB SER A 89 21.582 -17.179 90.599 1.00 0.00 C ATOM 1384 OG SER A 89 20.335 -17.576 90.043 1.00 0.00 O ATOM 0 H SER A 89 21.651 -14.792 89.850 1.00 0.00 H new ATOM 0 HA SER A 89 23.537 -16.895 89.781 1.00 0.00 H new ATOM 0 HB2 SER A 89 22.036 -18.012 91.137 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.433 -16.376 91.321 1.00 0.00 H new ATOM 0 HG SER A 89 19.788 -16.782 89.866 1.00 0.00 H new ATOM 1390 N LYS A 90 21.479 -16.794 87.302 1.00 0.00 N ATOM 1391 CA LYS A 90 21.107 -17.395 85.992 1.00 0.00 C ATOM 1392 C LYS A 90 21.920 -16.710 84.894 1.00 0.00 C ATOM 1393 O LYS A 90 22.280 -17.309 83.902 1.00 0.00 O ATOM 1394 CB LYS A 90 19.618 -17.153 85.734 1.00 0.00 C ATOM 1395 CG LYS A 90 18.785 -17.924 86.758 1.00 0.00 C ATOM 1396 CD LYS A 90 17.370 -17.342 86.822 1.00 0.00 C ATOM 1397 CE LYS A 90 17.400 -15.938 87.431 1.00 0.00 C ATOM 1398 NZ LYS A 90 17.447 -14.930 86.338 1.00 0.00 N ATOM 0 H LYS A 90 21.147 -15.839 87.439 1.00 0.00 H new ATOM 0 HA LYS A 90 21.310 -18.466 85.999 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.396 -16.088 85.799 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.357 -17.472 84.725 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.742 -18.978 86.485 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.256 -17.868 87.739 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.940 -17.303 85.821 1.00 0.00 H new ATOM 0 HD3 LYS A 90 16.729 -17.991 87.419 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.518 -15.779 88.051 1.00 0.00 H new ATOM 0 HE3 LYS A 90 18.269 -15.829 88.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.784 -14.157 86.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 18.411 -14.548 86.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.179 -15.380 85.439 1.00 0.00 H new ATOM 1412 N GLY A 91 22.206 -15.451 85.076 1.00 0.00 N ATOM 1413 CA GLY A 91 22.993 -14.693 84.062 1.00 0.00 C ATOM 1414 C GLY A 91 22.613 -13.210 84.141 1.00 0.00 C ATOM 1415 O GLY A 91 23.158 -12.460 84.927 1.00 0.00 O ATOM 0 H GLY A 91 21.925 -14.909 85.893 1.00 0.00 H new ATOM 0 HA2 GLY A 91 24.060 -14.818 84.244 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.792 -15.080 83.063 1.00 0.00 H new ATOM 1419 N ALA A 92 21.671 -12.792 83.338 1.00 0.00 N ATOM 1420 CA ALA A 92 21.219 -11.365 83.354 1.00 0.00 C ATOM 1421 C ALA A 92 22.405 -10.400 83.474 1.00 0.00 C ATOM 1422 O ALA A 92 22.216 -9.219 83.691 1.00 0.00 O ATOM 1423 CB ALA A 92 20.291 -11.150 84.558 1.00 0.00 C ATOM 0 H ALA A 92 21.188 -13.384 82.662 1.00 0.00 H new ATOM 0 HA ALA A 92 20.701 -11.162 82.417 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.956 -10.113 84.579 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.427 -11.809 84.473 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.830 -11.375 85.478 1.00 0.00 H new ATOM 1429 N ASP A 93 23.614 -10.876 83.343 1.00 0.00 N ATOM 1430 CA ASP A 93 24.795 -9.965 83.464 1.00 0.00 C ATOM 1431 C ASP A 93 24.454 -8.818 84.443 1.00 0.00 C ATOM 1432 O ASP A 93 24.229 -9.054 85.614 1.00 0.00 O ATOM 1433 CB ASP A 93 25.149 -9.438 82.065 1.00 0.00 C ATOM 1434 CG ASP A 93 26.654 -9.176 81.972 1.00 0.00 C ATOM 1435 OD1 ASP A 93 27.313 -9.235 82.998 1.00 0.00 O ATOM 1436 OD2 ASP A 93 27.124 -8.933 80.875 1.00 0.00 O ATOM 0 H ASP A 93 23.837 -11.854 83.158 1.00 0.00 H new ATOM 0 HA ASP A 93 25.661 -10.494 83.862 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.850 -10.163 81.308 1.00 0.00 H new ATOM 0 HB3 ASP A 93 24.598 -8.519 81.863 1.00 0.00 H new ATOM 1441 N LYS A 94 24.375 -7.597 83.987 1.00 0.00 N ATOM 1442 CA LYS A 94 24.003 -6.481 84.905 1.00 0.00 C ATOM 1443 C LYS A 94 23.497 -5.297 84.070 1.00 0.00 C ATOM 1444 O LYS A 94 22.623 -4.560 84.480 1.00 0.00 O ATOM 1445 CB LYS A 94 25.203 -6.072 85.773 1.00 0.00 C ATOM 1446 CG LYS A 94 26.304 -5.427 84.922 1.00 0.00 C ATOM 1447 CD LYS A 94 27.094 -6.509 84.153 1.00 0.00 C ATOM 1448 CE LYS A 94 26.964 -6.288 82.643 1.00 0.00 C ATOM 1449 NZ LYS A 94 28.106 -6.945 81.951 1.00 0.00 N ATOM 0 H LYS A 94 24.552 -7.324 83.020 1.00 0.00 H new ATOM 0 HA LYS A 94 23.210 -6.809 85.577 1.00 0.00 H new ATOM 0 HB2 LYS A 94 24.877 -5.373 86.543 1.00 0.00 H new ATOM 0 HB3 LYS A 94 25.601 -6.948 86.285 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.862 -4.721 84.218 1.00 0.00 H new ATOM 0 HG3 LYS A 94 26.980 -4.859 85.561 1.00 0.00 H new ATOM 0 HD2 LYS A 94 28.144 -6.478 84.443 1.00 0.00 H new ATOM 0 HD3 LYS A 94 26.720 -7.498 84.416 1.00 0.00 H new ATOM 0 HE2 LYS A 94 26.021 -6.699 82.283 1.00 0.00 H new ATOM 0 HE3 LYS A 94 26.953 -5.221 82.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 27.786 -7.326 81.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 28.861 -6.249 81.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 28.470 -7.720 82.541 1.00 0.00 H new ATOM 1463 N THR A 95 24.029 -5.137 82.886 1.00 0.00 N ATOM 1464 CA THR A 95 23.588 -4.038 81.983 1.00 0.00 C ATOM 1465 C THR A 95 23.190 -4.676 80.658 1.00 0.00 C ATOM 1466 O THR A 95 23.681 -4.320 79.605 1.00 0.00 O ATOM 1467 CB THR A 95 24.741 -3.057 81.746 1.00 0.00 C ATOM 1468 OG1 THR A 95 25.414 -2.802 82.971 1.00 0.00 O ATOM 1469 CG2 THR A 95 24.186 -1.750 81.186 1.00 0.00 C ATOM 0 H THR A 95 24.763 -5.733 82.503 1.00 0.00 H new ATOM 0 HA THR A 95 22.755 -3.492 82.425 1.00 0.00 H new ATOM 0 HB THR A 95 25.444 -3.490 81.035 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.151 -2.176 82.815 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.004 -1.050 81.016 1.00 0.00 H new ATOM 0 HG22 THR A 95 23.675 -1.946 80.243 1.00 0.00 H new ATOM 0 HG23 THR A 95 23.482 -1.319 81.898 1.00 0.00 H new ATOM 1477 N VAL A 96 22.333 -5.652 80.717 1.00 0.00 N ATOM 1478 CA VAL A 96 21.932 -6.366 79.481 1.00 0.00 C ATOM 1479 C VAL A 96 21.034 -5.485 78.603 1.00 0.00 C ATOM 1480 O VAL A 96 20.755 -5.829 77.473 1.00 0.00 O ATOM 1481 CB VAL A 96 21.168 -7.636 79.872 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.716 -8.381 78.614 1.00 0.00 C ATOM 1483 CG2 VAL A 96 22.081 -8.541 80.701 1.00 0.00 C ATOM 0 H VAL A 96 21.891 -5.987 81.573 1.00 0.00 H new ATOM 0 HA VAL A 96 22.828 -6.616 78.912 1.00 0.00 H new ATOM 0 HB VAL A 96 20.291 -7.362 80.459 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.174 -9.282 78.900 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.064 -7.737 78.024 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.588 -8.655 78.020 1.00 0.00 H new ATOM 0 HG21 VAL A 96 21.540 -9.445 80.981 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.958 -8.810 80.113 1.00 0.00 H new ATOM 0 HG23 VAL A 96 22.396 -8.013 81.601 1.00 0.00 H new ATOM 1493 N LYS A 97 20.578 -4.357 79.085 1.00 0.00 N ATOM 1494 CA LYS A 97 19.707 -3.505 78.210 1.00 0.00 C ATOM 1495 C LYS A 97 19.533 -2.087 78.776 1.00 0.00 C ATOM 1496 O LYS A 97 18.842 -1.270 78.199 1.00 0.00 O ATOM 1497 CB LYS A 97 18.338 -4.178 78.070 1.00 0.00 C ATOM 1498 CG LYS A 97 17.750 -3.892 76.680 1.00 0.00 C ATOM 1499 CD LYS A 97 18.284 -4.911 75.668 1.00 0.00 C ATOM 1500 CE LYS A 97 17.946 -4.443 74.251 1.00 0.00 C ATOM 1501 NZ LYS A 97 18.827 -3.302 73.877 1.00 0.00 N ATOM 0 H LYS A 97 20.762 -3.993 80.020 1.00 0.00 H new ATOM 0 HA LYS A 97 20.189 -3.409 77.237 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.436 -5.253 78.218 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.662 -3.810 78.842 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.662 -3.941 76.719 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.013 -2.882 76.365 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.363 -5.020 75.779 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.844 -5.891 75.854 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.078 -5.263 73.545 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.900 -4.141 74.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.860 -3.214 72.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.450 -2.424 74.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.786 -3.470 74.241 1.00 0.00 H new ATOM 1515 N GLY A 98 20.133 -1.776 79.890 1.00 0.00 N ATOM 1516 CA GLY A 98 19.967 -0.404 80.456 1.00 0.00 C ATOM 1517 C GLY A 98 20.785 0.603 79.637 1.00 0.00 C ATOM 1518 O GLY A 98 21.473 0.225 78.708 1.00 0.00 O ATOM 0 H GLY A 98 20.727 -2.404 80.431 1.00 0.00 H new ATOM 0 HA2 GLY A 98 18.914 -0.123 80.447 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.292 -0.389 81.496 1.00 0.00 H new ATOM 1522 N PRO A 99 20.698 1.858 80.018 1.00 0.00 N ATOM 1523 CA PRO A 99 21.439 2.941 79.345 1.00 0.00 C ATOM 1524 C PRO A 99 22.870 2.499 79.078 1.00 0.00 C ATOM 1525 O PRO A 99 23.233 2.161 77.969 1.00 0.00 O ATOM 1526 CB PRO A 99 21.369 4.112 80.344 1.00 0.00 C ATOM 1527 CG PRO A 99 20.176 3.812 81.284 1.00 0.00 C ATOM 1528 CD PRO A 99 19.864 2.307 81.152 1.00 0.00 C ATOM 0 HA PRO A 99 21.029 3.218 78.374 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.297 4.197 80.909 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.225 5.059 79.823 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.424 4.065 82.315 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.308 4.411 81.009 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.112 1.768 82.066 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.805 2.136 80.959 1.00 0.00 H new ATOM 1536 N ASP A 100 23.678 2.489 80.086 1.00 0.00 N ATOM 1537 CA ASP A 100 25.082 2.062 79.910 1.00 0.00 C ATOM 1538 C ASP A 100 25.588 1.555 81.252 1.00 0.00 C ATOM 1539 O ASP A 100 24.972 0.726 81.888 1.00 0.00 O ATOM 1540 CB ASP A 100 25.926 3.252 79.442 1.00 0.00 C ATOM 1541 CG ASP A 100 27.237 2.745 78.840 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.799 1.815 79.394 1.00 0.00 O ATOM 1543 OD2 ASP A 100 27.657 3.295 77.835 1.00 0.00 O ATOM 0 H ASP A 100 23.425 2.761 81.036 1.00 0.00 H new ATOM 0 HA ASP A 100 25.154 1.274 79.161 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.375 3.833 78.702 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.132 3.917 80.281 1.00 0.00 H new ATOM 1548 N GLY A 101 26.692 2.046 81.700 1.00 0.00 N ATOM 1549 CA GLY A 101 27.213 1.576 83.006 1.00 0.00 C ATOM 1550 C GLY A 101 26.159 1.802 84.092 1.00 0.00 C ATOM 1551 O GLY A 101 26.364 1.471 85.249 1.00 0.00 O ATOM 0 H GLY A 101 27.259 2.749 81.226 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.468 0.518 82.947 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.129 2.111 83.257 1.00 0.00 H new ATOM 1555 N LEU A 102 25.019 2.351 83.753 1.00 0.00 N ATOM 1556 CA LEU A 102 24.006 2.579 84.808 1.00 0.00 C ATOM 1557 C LEU A 102 23.777 1.305 85.566 1.00 0.00 C ATOM 1558 O LEU A 102 24.131 1.199 86.720 1.00 0.00 O ATOM 1559 CB LEU A 102 22.662 3.055 84.249 1.00 0.00 C ATOM 1560 CG LEU A 102 21.766 3.499 85.426 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.571 4.305 84.920 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.258 2.292 86.221 1.00 0.00 C ATOM 0 H LEU A 102 24.757 2.643 82.811 1.00 0.00 H new ATOM 0 HA LEU A 102 24.398 3.363 85.456 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.813 3.882 83.556 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.180 2.254 83.689 1.00 0.00 H new ATOM 0 HG LEU A 102 22.374 4.123 86.081 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.953 4.608 85.765 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.926 5.191 84.394 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.980 3.692 84.240 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.630 2.636 87.043 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.676 1.644 85.566 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.106 1.736 86.620 1.00 0.00 H new ATOM 1574 N THR A 103 23.150 0.349 84.945 1.00 0.00 N ATOM 1575 CA THR A 103 22.850 -0.904 85.671 1.00 0.00 C ATOM 1576 C THR A 103 22.789 -0.583 87.165 1.00 0.00 C ATOM 1577 O THR A 103 21.848 0.017 87.661 1.00 0.00 O ATOM 1578 CB THR A 103 23.949 -1.935 85.408 1.00 0.00 C ATOM 1579 OG1 THR A 103 23.994 -2.856 86.490 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.292 -1.219 85.279 1.00 0.00 C ATOM 0 H THR A 103 22.836 0.383 83.975 1.00 0.00 H new ATOM 0 HA THR A 103 21.900 -1.317 85.332 1.00 0.00 H new ATOM 0 HB THR A 103 23.739 -2.474 84.484 1.00 0.00 H new ATOM 0 HG1 THR A 103 23.561 -3.694 86.224 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.078 -1.951 85.092 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.249 -0.512 84.451 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.509 -0.683 86.203 1.00 0.00 H new ATOM 1588 N ALA A 104 23.800 -0.944 87.879 1.00 0.00 N ATOM 1589 CA ALA A 104 23.822 -0.648 89.333 1.00 0.00 C ATOM 1590 C ALA A 104 24.553 0.681 89.613 1.00 0.00 C ATOM 1591 O ALA A 104 24.306 1.331 90.613 1.00 0.00 O ATOM 1592 CB ALA A 104 24.539 -1.787 90.041 1.00 0.00 C ATOM 0 H ALA A 104 24.620 -1.435 87.522 1.00 0.00 H new ATOM 0 HA ALA A 104 22.800 -0.553 89.699 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.567 -1.589 91.113 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.008 -2.721 89.858 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.557 -1.868 89.661 1.00 0.00 H new ATOM 1598 N LEU A 105 25.472 1.067 88.759 1.00 0.00 N ATOM 1599 CA LEU A 105 26.252 2.317 88.989 1.00 0.00 C ATOM 1600 C LEU A 105 25.362 3.565 89.098 1.00 0.00 C ATOM 1601 O LEU A 105 25.182 4.115 90.167 1.00 0.00 O ATOM 1602 CB LEU A 105 27.211 2.536 87.819 1.00 0.00 C ATOM 1603 CG LEU A 105 27.963 1.250 87.488 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.016 1.550 86.419 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.650 0.716 88.741 1.00 0.00 C ATOM 0 H LEU A 105 25.714 0.562 87.906 1.00 0.00 H new ATOM 0 HA LEU A 105 26.780 2.187 89.933 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.654 2.873 86.944 1.00 0.00 H new ATOM 0 HB3 LEU A 105 27.921 3.325 88.068 1.00 0.00 H new ATOM 0 HG LEU A 105 27.261 0.502 87.119 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.559 0.636 86.176 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.526 1.930 85.523 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.714 2.297 86.796 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.185 -0.202 88.499 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.354 1.459 89.114 1.00 0.00 H new ATOM 0 HD23 LEU A 105 27.902 0.509 89.506 1.00 0.00 H new ATOM 1617 N GLU A 106 24.864 4.061 87.994 1.00 0.00 N ATOM 1618 CA GLU A 106 24.061 5.315 88.040 1.00 0.00 C ATOM 1619 C GLU A 106 22.659 4.990 88.562 1.00 0.00 C ATOM 1620 O GLU A 106 21.768 5.814 88.553 1.00 0.00 O ATOM 1621 CB GLU A 106 24.042 5.952 86.616 1.00 0.00 C ATOM 1622 CG GLU A 106 22.703 6.631 86.281 1.00 0.00 C ATOM 1623 CD GLU A 106 22.545 7.904 87.111 1.00 0.00 C ATOM 1624 OE1 GLU A 106 23.471 8.239 87.834 1.00 0.00 O ATOM 1625 OE2 GLU A 106 21.503 8.529 87.005 1.00 0.00 O ATOM 0 H GLU A 106 24.979 3.652 87.067 1.00 0.00 H new ATOM 0 HA GLU A 106 24.500 6.044 88.721 1.00 0.00 H new ATOM 0 HB2 GLU A 106 24.844 6.686 86.541 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.247 5.179 85.875 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.663 6.872 85.219 1.00 0.00 H new ATOM 0 HG3 GLU A 106 21.878 5.949 86.485 1.00 0.00 H new ATOM 1632 N ALA A 107 22.465 3.795 89.059 1.00 0.00 N ATOM 1633 CA ALA A 107 21.129 3.442 89.601 1.00 0.00 C ATOM 1634 C ALA A 107 20.955 4.025 91.007 1.00 0.00 C ATOM 1635 O ALA A 107 19.922 4.586 91.321 1.00 0.00 O ATOM 1636 CB ALA A 107 20.982 1.917 89.653 1.00 0.00 C ATOM 0 H ALA A 107 23.169 3.059 89.111 1.00 0.00 H new ATOM 0 HA ALA A 107 20.362 3.860 88.949 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.001 1.659 90.051 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.085 1.507 88.648 1.00 0.00 H new ATOM 0 HB3 ALA A 107 21.756 1.499 90.297 1.00 0.00 H new ATOM 1642 N THR A 108 21.929 3.881 91.871 1.00 0.00 N ATOM 1643 CA THR A 108 21.758 4.416 93.251 1.00 0.00 C ATOM 1644 C THR A 108 23.102 4.638 93.947 1.00 0.00 C ATOM 1645 O THR A 108 24.116 4.902 93.330 1.00 0.00 O ATOM 1646 CB THR A 108 20.967 3.397 94.061 1.00 0.00 C ATOM 1647 OG1 THR A 108 20.762 3.893 95.376 1.00 0.00 O ATOM 1648 CG2 THR A 108 21.756 2.087 94.119 1.00 0.00 C ATOM 0 H THR A 108 22.821 3.423 91.683 1.00 0.00 H new ATOM 0 HA THR A 108 21.243 5.375 93.185 1.00 0.00 H new ATOM 0 HB THR A 108 19.999 3.221 93.592 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.252 3.238 95.897 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.197 1.351 94.697 1.00 0.00 H new ATOM 0 HG22 THR A 108 21.912 1.711 93.108 1.00 0.00 H new ATOM 0 HG23 THR A 108 22.721 2.264 94.593 1.00 0.00 H new ATOM 1656 N ASP A 109 23.091 4.493 95.251 1.00 0.00 N ATOM 1657 CA ASP A 109 24.325 4.646 96.062 1.00 0.00 C ATOM 1658 C ASP A 109 24.281 3.656 97.231 1.00 0.00 C ATOM 1659 O ASP A 109 25.217 3.553 97.999 1.00 0.00 O ATOM 1660 CB ASP A 109 24.443 6.074 96.598 1.00 0.00 C ATOM 1661 CG ASP A 109 25.672 6.172 97.503 1.00 0.00 C ATOM 1662 OD1 ASP A 109 26.629 5.456 97.249 1.00 0.00 O ATOM 1663 OD2 ASP A 109 25.638 6.959 98.433 1.00 0.00 O ATOM 0 H ASP A 109 22.256 4.270 95.792 1.00 0.00 H new ATOM 0 HA ASP A 109 25.192 4.442 95.434 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.528 6.779 95.771 1.00 0.00 H new ATOM 0 HB3 ASP A 109 23.545 6.342 97.154 1.00 0.00 H new ATOM 1668 N ASN A 110 23.218 2.896 97.363 1.00 0.00 N ATOM 1669 CA ASN A 110 23.184 1.901 98.470 1.00 0.00 C ATOM 1670 C ASN A 110 24.111 0.757 98.046 1.00 0.00 C ATOM 1671 O ASN A 110 24.241 0.462 96.878 1.00 0.00 O ATOM 1672 CB ASN A 110 21.747 1.407 98.730 1.00 0.00 C ATOM 1673 CG ASN A 110 21.319 0.399 97.671 1.00 0.00 C ATOM 1674 OD1 ASN A 110 20.378 -0.346 97.864 1.00 0.00 O ATOM 1675 ND2 ASN A 110 21.972 0.348 96.556 1.00 0.00 N ATOM 0 H ASN A 110 22.393 2.923 96.764 1.00 0.00 H new ATOM 0 HA ASN A 110 23.520 2.341 99.409 1.00 0.00 H new ATOM 0 HB2 ASN A 110 21.688 0.950 99.718 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.061 2.254 98.730 1.00 0.00 H new ATOM 0 HD21 ASN A 110 21.698 -0.319 95.835 1.00 0.00 H new ATOM 0 HD22 ASN A 110 22.761 0.975 96.398 1.00 0.00 H new ATOM 1682 N GLN A 111 24.818 0.169 98.956 1.00 0.00 N ATOM 1683 CA GLN A 111 25.797 -0.886 98.562 1.00 0.00 C ATOM 1684 C GLN A 111 25.128 -2.229 98.190 1.00 0.00 C ATOM 1685 O GLN A 111 25.804 -3.206 97.946 1.00 0.00 O ATOM 1686 CB GLN A 111 26.789 -1.054 99.710 1.00 0.00 C ATOM 1687 CG GLN A 111 27.677 -2.280 99.484 1.00 0.00 C ATOM 1688 CD GLN A 111 28.977 -2.118 100.275 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.004 -2.328 101.472 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.061 -1.750 99.651 1.00 0.00 N ATOM 0 H GLN A 111 24.767 0.367 99.955 1.00 0.00 H new ATOM 0 HA GLN A 111 26.311 -0.568 97.655 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.408 -0.161 99.795 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.249 -1.159 100.651 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.156 -3.184 99.800 1.00 0.00 H new ATOM 0 HG3 GLN A 111 27.896 -2.394 98.422 1.00 0.00 H new ATOM 0 HE21 GLN A 111 30.037 -1.574 98.647 1.00 0.00 H new ATOM 0 HE22 GLN A 111 30.934 -1.638 100.167 1.00 0.00 H new ATOM 1699 N ALA A 112 23.827 -2.300 98.105 1.00 0.00 N ATOM 1700 CA ALA A 112 23.191 -3.597 97.717 1.00 0.00 C ATOM 1701 C ALA A 112 23.135 -3.680 96.193 1.00 0.00 C ATOM 1702 O ALA A 112 23.530 -4.657 95.573 1.00 0.00 O ATOM 1703 CB ALA A 112 21.774 -3.667 98.291 1.00 0.00 C ATOM 0 H ALA A 112 23.183 -1.530 98.284 1.00 0.00 H new ATOM 0 HA ALA A 112 23.774 -4.429 98.111 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.313 -4.613 98.007 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.818 -3.597 99.378 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.181 -2.841 97.898 1.00 0.00 H new ATOM 1709 N ILE A 113 22.677 -2.640 95.596 1.00 0.00 N ATOM 1710 CA ILE A 113 22.596 -2.585 94.115 1.00 0.00 C ATOM 1711 C ILE A 113 24.014 -2.638 93.593 1.00 0.00 C ATOM 1712 O ILE A 113 24.368 -3.396 92.702 1.00 0.00 O ATOM 1713 CB ILE A 113 22.002 -1.227 93.717 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.473 -1.256 93.754 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.466 -0.835 92.308 1.00 0.00 C ATOM 1716 CD1 ILE A 113 19.951 -1.276 95.193 1.00 0.00 C ATOM 0 H ILE A 113 22.345 -1.802 96.073 1.00 0.00 H new ATOM 0 HA ILE A 113 21.989 -3.400 93.721 1.00 0.00 H new ATOM 0 HB ILE A 113 22.354 -0.490 94.439 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.078 -0.383 93.234 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.111 -2.135 93.221 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.037 0.130 92.039 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.554 -0.767 92.289 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.137 -1.590 91.594 1.00 0.00 H new ATOM 0 HD11 ILE A 113 18.861 -1.296 95.184 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.327 -2.163 95.704 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.293 -0.383 95.717 1.00 0.00 H new ATOM 1728 N LYS A 114 24.825 -1.812 94.150 1.00 0.00 N ATOM 1729 CA LYS A 114 26.219 -1.757 93.723 1.00 0.00 C ATOM 1730 C LYS A 114 26.809 -3.156 93.856 1.00 0.00 C ATOM 1731 O LYS A 114 27.846 -3.461 93.307 1.00 0.00 O ATOM 1732 CB LYS A 114 26.954 -0.739 94.589 1.00 0.00 C ATOM 1733 CG LYS A 114 26.164 0.583 94.591 1.00 0.00 C ATOM 1734 CD LYS A 114 26.207 1.215 93.200 1.00 0.00 C ATOM 1735 CE LYS A 114 25.756 2.670 93.288 1.00 0.00 C ATOM 1736 NZ LYS A 114 26.824 3.479 93.937 1.00 0.00 N ATOM 0 H LYS A 114 24.574 -1.163 94.896 1.00 0.00 H new ATOM 0 HA LYS A 114 26.314 -1.441 92.684 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.059 -1.116 95.606 1.00 0.00 H new ATOM 0 HB3 LYS A 114 27.961 -0.575 94.205 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.131 0.399 94.885 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.587 1.269 95.325 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.218 1.160 92.795 1.00 0.00 H new ATOM 0 HD3 LYS A 114 25.560 0.663 92.518 1.00 0.00 H new ATOM 0 HE2 LYS A 114 25.545 3.058 92.291 1.00 0.00 H new ATOM 0 HE3 LYS A 114 24.831 2.742 93.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 26.632 4.490 93.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 26.842 3.276 94.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 27.745 3.237 93.520 1.00 0.00 H new ATOM 1750 N ALA A 115 26.127 -4.025 94.556 1.00 0.00 N ATOM 1751 CA ALA A 115 26.625 -5.411 94.688 1.00 0.00 C ATOM 1752 C ALA A 115 26.597 -6.051 93.310 1.00 0.00 C ATOM 1753 O ALA A 115 27.395 -6.903 93.001 1.00 0.00 O ATOM 1754 CB ALA A 115 25.734 -6.212 95.641 1.00 0.00 C ATOM 0 H ALA A 115 25.250 -3.828 95.038 1.00 0.00 H new ATOM 0 HA ALA A 115 27.638 -5.403 95.092 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.115 -7.230 95.726 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.736 -5.740 96.624 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.716 -6.237 95.252 1.00 0.00 H new ATOM 1760 N LEU A 116 25.698 -5.637 92.458 1.00 0.00 N ATOM 1761 CA LEU A 116 25.687 -6.248 91.100 1.00 0.00 C ATOM 1762 C LEU A 116 26.904 -5.739 90.317 1.00 0.00 C ATOM 1763 O LEU A 116 27.414 -6.417 89.444 1.00 0.00 O ATOM 1764 CB LEU A 116 24.385 -5.896 90.359 1.00 0.00 C ATOM 1765 CG LEU A 116 23.440 -7.110 90.309 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.186 -6.737 89.505 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.134 -8.306 89.628 1.00 0.00 C ATOM 0 H LEU A 116 24.991 -4.924 92.636 1.00 0.00 H new ATOM 0 HA LEU A 116 25.738 -7.333 91.189 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.890 -5.064 90.860 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.615 -5.567 89.346 1.00 0.00 H new ATOM 0 HG LEU A 116 23.170 -7.389 91.327 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.512 -7.592 89.465 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.681 -5.899 89.986 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.474 -6.454 88.492 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.452 -9.156 89.601 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.414 -8.033 88.611 1.00 0.00 H new ATOM 0 HD23 LEU A 116 25.028 -8.576 90.190 1.00 0.00 H new ATOM 1779 N LEU A 117 27.405 -4.575 90.629 1.00 0.00 N ATOM 1780 CA LEU A 117 28.609 -4.098 89.899 1.00 0.00 C ATOM 1781 C LEU A 117 29.798 -4.822 90.510 1.00 0.00 C ATOM 1782 O LEU A 117 30.940 -4.617 90.156 1.00 0.00 O ATOM 1783 CB LEU A 117 28.724 -2.565 90.025 1.00 0.00 C ATOM 1784 CG LEU A 117 29.647 -2.142 91.198 1.00 0.00 C ATOM 1785 CD1 LEU A 117 31.112 -2.027 90.730 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.195 -0.776 91.747 1.00 0.00 C ATOM 0 H LEU A 117 27.040 -3.946 91.344 1.00 0.00 H new ATOM 0 HA LEU A 117 28.558 -4.313 88.832 1.00 0.00 H new ATOM 0 HB2 LEU A 117 29.112 -2.153 89.093 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.732 -2.139 90.173 1.00 0.00 H new ATOM 0 HG LEU A 117 29.579 -2.903 91.975 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.740 -1.729 91.570 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.449 -2.991 90.349 1.00 0.00 H new ATOM 0 HD13 LEU A 117 31.184 -1.279 89.940 1.00 0.00 H new ATOM 0 HD21 LEU A 117 29.845 -0.482 92.571 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.252 -0.029 90.955 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.168 -0.849 92.104 1.00 0.00 H new ATOM 1798 N GLN A 118 29.499 -5.695 91.424 1.00 0.00 N ATOM 1799 CA GLN A 118 30.543 -6.491 92.096 1.00 0.00 C ATOM 1800 C GLN A 118 31.027 -7.594 91.152 1.00 0.00 C ATOM 1801 O GLN A 118 32.229 -7.755 91.025 1.00 0.00 O ATOM 1802 CB GLN A 118 29.939 -7.117 93.344 1.00 0.00 C ATOM 1803 CG GLN A 118 31.048 -7.665 94.217 1.00 0.00 C ATOM 1804 CD GLN A 118 30.446 -8.432 95.397 1.00 0.00 C ATOM 1805 OE1 GLN A 118 30.660 -8.079 96.540 1.00 0.00 O ATOM 1806 NE2 GLN A 118 29.691 -9.472 95.165 1.00 0.00 N ATOM 1807 OXT GLN A 118 30.183 -8.256 90.571 1.00 0.00 O ATOM 0 H GLN A 118 28.549 -5.891 91.738 1.00 0.00 H new ATOM 0 HA GLN A 118 31.387 -5.857 92.366 1.00 0.00 H new ATOM 0 HB2 GLN A 118 29.361 -6.374 93.894 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.250 -7.915 93.067 1.00 0.00 H new ATOM 0 HG2 GLN A 118 31.691 -8.323 93.633 1.00 0.00 H new ATOM 0 HG3 GLN A 118 31.673 -6.850 94.582 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.512 -9.768 94.206 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.281 -9.988 95.943 1.00 0.00 H new