USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 533 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 71 ASN : amide:sc= 1.21 K(o=1,f=-1.7) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -120:sc= -0.178 (180deg=-1.53!) USER MOD Set 2.1: A 38 ASN : amide:sc= 0.938 K(o=1.7,f=-3.4!) USER MOD Set 2.2: A 41 LYS NZ :NH3+ -172:sc= -1.56! (180deg=-3.42!) USER MOD Set 2.3: A 51 TYR OH : rot -159:sc= 2.33 USER MOD Set 3.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 12 LYS NZ :NH3+ -161:sc= -0.0328 (180deg=-0.318) USER MOD Single : A 18 ASN : amide:sc= -0.0691 X(o=-0.069,f=-0.066) USER MOD Single : A 19 THR OG1 : rot 28:sc= 0.586 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 1.22 K(o=1.2,f=-0.11) USER MOD Single : A 29 THR OG1 : rot 58:sc= 1.05 USER MOD Single : A 32 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.3) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -1.25 K(o=-1.2,f=0.34) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 168:sc= -0.0323 (180deg=-0.201) USER MOD Single : A 66 THR OG1 : rot -57:sc= 0.974 USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= 1.18 (180deg=0.854) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 6 -9.195 2.542 3.387 1.00 0.00 N ATOM 24 CA LEU A 6 -8.002 3.357 3.149 1.00 0.00 C ATOM 25 C LEU A 6 -6.890 2.521 2.527 1.00 0.00 C ATOM 26 O LEU A 6 -5.895 3.057 2.038 1.00 0.00 O ATOM 27 CB LEU A 6 -7.483 3.994 4.447 1.00 0.00 C ATOM 28 CG LEU A 6 -8.259 5.213 4.968 1.00 0.00 C ATOM 29 CD1 LEU A 6 -8.485 6.224 3.853 1.00 0.00 C ATOM 30 CD2 LEU A 6 -9.577 4.795 5.600 1.00 0.00 C ATOM 0 HA LEU A 6 -8.292 4.150 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.483 3.231 5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.446 4.291 4.291 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.657 5.690 5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.036 7.079 4.244 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.523 6.559 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.058 5.759 3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.104 5.678 5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -10.190 4.283 4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.383 4.123 6.436 1.00 0.00 H new ATOM 42 N ARG A 7 -7.069 1.204 2.537 1.00 0.00 N ATOM 43 CA ARG A 7 -6.044 0.297 2.034 1.00 0.00 C ATOM 44 C ARG A 7 -5.853 0.525 0.535 1.00 0.00 C ATOM 45 O ARG A 7 -4.727 0.578 0.043 1.00 0.00 O ATOM 46 CB ARG A 7 -6.426 -1.165 2.290 1.00 0.00 C ATOM 47 CG ARG A 7 -7.176 -1.408 3.593 1.00 0.00 C ATOM 48 CD ARG A 7 -6.363 -1.067 4.833 1.00 0.00 C ATOM 49 NE ARG A 7 -7.169 -1.208 6.050 1.00 0.00 N ATOM 50 CZ ARG A 7 -6.731 -0.943 7.281 1.00 0.00 C ATOM 51 NH1 ARG A 7 -5.469 -0.584 7.479 1.00 0.00 N ATOM 52 NH2 ARG A 7 -7.554 -1.057 8.317 1.00 0.00 N ATOM 0 H ARG A 7 -7.909 0.743 2.886 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.113 0.503 2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.041 -1.516 1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -5.518 -1.769 2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.090 -0.815 3.593 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.476 -2.455 3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.493 -1.721 4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.990 -0.046 4.757 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.131 -1.531 5.948 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.830 -0.510 6.688 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.138 -0.382 8.423 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.521 -1.347 8.171 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.219 -0.854 9.259 1.00 0.00 H new ATOM 66 N TYR A 8 -6.971 0.677 -0.175 1.00 0.00 N ATOM 67 CA TYR A 8 -6.950 0.956 -1.607 1.00 0.00 C ATOM 68 C TYR A 8 -6.210 2.256 -1.898 1.00 0.00 C ATOM 69 O TYR A 8 -5.411 2.327 -2.835 1.00 0.00 O ATOM 70 CB TYR A 8 -8.379 1.045 -2.158 1.00 0.00 C ATOM 71 CG TYR A 8 -8.458 1.656 -3.540 1.00 0.00 C ATOM 72 CD1 TYR A 8 -8.015 0.962 -4.657 1.00 0.00 C ATOM 73 CD2 TYR A 8 -8.958 2.938 -3.718 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.068 1.532 -5.914 1.00 0.00 C ATOM 75 CE2 TYR A 8 -9.020 3.512 -4.971 1.00 0.00 C ATOM 76 CZ TYR A 8 -8.572 2.809 -6.065 1.00 0.00 C ATOM 77 OH TYR A 8 -8.623 3.384 -7.312 1.00 0.00 O ATOM 0 H TYR A 8 -7.908 0.611 0.224 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.426 0.136 -2.098 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.811 0.045 -2.187 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.987 1.636 -1.473 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -7.623 -0.038 -4.542 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.305 3.496 -2.861 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.717 0.982 -6.775 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.418 4.508 -5.092 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.006 4.284 -7.242 1.00 0.00 H new ATOM 87 N ALA A 9 -6.486 3.273 -1.087 1.00 0.00 N ATOM 88 CA ALA A 9 -5.895 4.593 -1.268 1.00 0.00 C ATOM 89 C ALA A 9 -4.376 4.522 -1.290 1.00 0.00 C ATOM 90 O ALA A 9 -3.732 5.130 -2.146 1.00 0.00 O ATOM 91 CB ALA A 9 -6.358 5.534 -0.169 1.00 0.00 C ATOM 0 H ALA A 9 -7.121 3.206 -0.292 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.229 4.978 -2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.908 6.516 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.444 5.624 -0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.054 5.139 0.800 1.00 0.00 H new ATOM 97 N ILE A 10 -3.808 3.771 -0.357 1.00 0.00 N ATOM 98 CA ILE A 10 -2.362 3.621 -0.285 1.00 0.00 C ATOM 99 C ILE A 10 -1.844 2.717 -1.407 1.00 0.00 C ATOM 100 O ILE A 10 -0.849 3.037 -2.057 1.00 0.00 O ATOM 101 CB ILE A 10 -1.923 3.061 1.086 1.00 0.00 C ATOM 102 CG1 ILE A 10 -2.373 4.004 2.206 1.00 0.00 C ATOM 103 CG2 ILE A 10 -0.413 2.869 1.128 1.00 0.00 C ATOM 104 CD1 ILE A 10 -1.993 3.530 3.593 1.00 0.00 C ATOM 0 H ILE A 10 -4.324 3.258 0.358 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.929 4.614 -0.408 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.395 2.089 1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.937 4.989 2.036 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.455 4.122 2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.123 2.474 2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.113 2.168 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.080 3.827 0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.345 4.249 4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.451 2.559 3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.909 3.440 3.662 1.00 0.00 H new ATOM 116 N LEU A 11 -2.540 1.608 -1.650 1.00 0.00 N ATOM 117 CA LEU A 11 -2.110 0.630 -2.650 1.00 0.00 C ATOM 118 C LEU A 11 -1.942 1.249 -4.034 1.00 0.00 C ATOM 119 O LEU A 11 -0.889 1.105 -4.658 1.00 0.00 O ATOM 120 CB LEU A 11 -3.092 -0.540 -2.724 1.00 0.00 C ATOM 121 CG LEU A 11 -2.956 -1.570 -1.604 1.00 0.00 C ATOM 122 CD1 LEU A 11 -3.978 -2.679 -1.774 1.00 0.00 C ATOM 123 CD2 LEU A 11 -1.549 -2.146 -1.586 1.00 0.00 C ATOM 0 H LEU A 11 -3.405 1.363 -1.168 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.135 0.265 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.107 -0.144 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.959 -1.046 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.142 -1.073 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.866 -3.404 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.982 -2.256 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.821 -3.175 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.466 -2.879 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.341 -2.629 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.830 -1.344 -1.421 1.00 0.00 H new ATOM 135 N LYS A 12 -2.968 1.943 -4.517 1.00 0.00 N ATOM 136 CA LYS A 12 -2.908 2.507 -5.860 1.00 0.00 C ATOM 137 C LYS A 12 -1.931 3.678 -5.919 1.00 0.00 C ATOM 138 O LYS A 12 -1.401 3.999 -6.982 1.00 0.00 O ATOM 139 CB LYS A 12 -4.307 2.907 -6.365 1.00 0.00 C ATOM 140 CG LYS A 12 -5.058 3.929 -5.515 1.00 0.00 C ATOM 141 CD LYS A 12 -4.574 5.349 -5.763 1.00 0.00 C ATOM 142 CE LYS A 12 -5.510 6.375 -5.151 1.00 0.00 C ATOM 143 NZ LYS A 12 -6.829 6.397 -5.836 1.00 0.00 N ATOM 0 H LYS A 12 -3.834 2.126 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.534 1.733 -6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.207 3.307 -7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.917 2.006 -6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.124 3.867 -5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.934 3.684 -4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.575 5.472 -5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.493 5.524 -6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.653 6.151 -4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.054 7.363 -5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.315 7.292 -5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.688 6.312 -6.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.408 5.602 -5.499 1.00 0.00 H new ATOM 157 N GLU A 13 -1.671 4.292 -4.769 1.00 0.00 N ATOM 158 CA GLU A 13 -0.744 5.411 -4.704 1.00 0.00 C ATOM 159 C GLU A 13 0.689 4.896 -4.685 1.00 0.00 C ATOM 160 O GLU A 13 1.622 5.601 -5.047 1.00 0.00 O ATOM 161 CB GLU A 13 -1.016 6.277 -3.475 1.00 0.00 C ATOM 162 CG GLU A 13 -0.790 7.759 -3.730 1.00 0.00 C ATOM 163 CD GLU A 13 -1.757 8.323 -4.756 1.00 0.00 C ATOM 164 OE1 GLU A 13 -1.595 8.039 -5.963 1.00 0.00 O ATOM 165 OE2 GLU A 13 -2.695 9.049 -4.360 1.00 0.00 O ATOM 0 H GLU A 13 -2.088 4.034 -3.875 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.888 6.031 -5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.045 6.123 -3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.371 5.952 -2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.897 8.307 -2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.232 7.914 -4.074 1.00 0.00 H new ATOM 172 N ILE A 14 0.859 3.660 -4.248 1.00 0.00 N ATOM 173 CA ILE A 14 2.140 2.984 -4.365 1.00 0.00 C ATOM 174 C ILE A 14 2.377 2.604 -5.823 1.00 0.00 C ATOM 175 O ILE A 14 3.439 2.868 -6.387 1.00 0.00 O ATOM 176 CB ILE A 14 2.195 1.715 -3.478 1.00 0.00 C ATOM 177 CG1 ILE A 14 2.172 2.104 -1.997 1.00 0.00 C ATOM 178 CG2 ILE A 14 3.427 0.878 -3.793 1.00 0.00 C ATOM 179 CD1 ILE A 14 2.143 0.919 -1.054 1.00 0.00 C ATOM 0 H ILE A 14 0.126 3.104 -3.809 1.00 0.00 H new ATOM 0 HA ILE A 14 2.920 3.665 -4.023 1.00 0.00 H new ATOM 0 HB ILE A 14 1.316 1.109 -3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.051 2.710 -1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.298 2.728 -1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.439 -0.006 -3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.401 0.571 -4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.325 1.469 -3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.128 1.274 -0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.251 0.323 -1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.030 0.305 -1.213 1.00 0.00 H new ATOM 191 N PHE A 15 1.349 2.021 -6.427 1.00 0.00 N ATOM 192 CA PHE A 15 1.419 1.547 -7.803 1.00 0.00 C ATOM 193 C PHE A 15 1.710 2.688 -8.779 1.00 0.00 C ATOM 194 O PHE A 15 2.626 2.589 -9.598 1.00 0.00 O ATOM 195 CB PHE A 15 0.101 0.850 -8.168 1.00 0.00 C ATOM 196 CG PHE A 15 0.093 0.207 -9.528 1.00 0.00 C ATOM 197 CD1 PHE A 15 0.765 -0.983 -9.755 1.00 0.00 C ATOM 198 CD2 PHE A 15 -0.598 0.789 -10.578 1.00 0.00 C ATOM 199 CE1 PHE A 15 0.754 -1.576 -11.003 1.00 0.00 C ATOM 200 CE2 PHE A 15 -0.614 0.203 -11.828 1.00 0.00 C ATOM 201 CZ PHE A 15 0.061 -0.982 -12.041 1.00 0.00 C ATOM 0 H PHE A 15 0.446 1.864 -5.979 1.00 0.00 H new ATOM 0 HA PHE A 15 2.243 0.837 -7.882 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.113 0.088 -7.418 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.707 1.580 -8.120 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.304 -1.453 -8.946 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.132 1.714 -10.417 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.286 -2.502 -11.167 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.154 0.671 -12.638 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.048 -1.444 -13.017 1.00 0.00 H new ATOM 211 N GLU A 16 0.954 3.776 -8.681 1.00 0.00 N ATOM 212 CA GLU A 16 1.090 4.887 -9.623 1.00 0.00 C ATOM 213 C GLU A 16 1.924 6.030 -9.055 1.00 0.00 C ATOM 214 O GLU A 16 2.232 6.990 -9.762 1.00 0.00 O ATOM 215 CB GLU A 16 -0.288 5.405 -10.028 1.00 0.00 C ATOM 216 CG GLU A 16 -1.019 4.479 -10.983 1.00 0.00 C ATOM 217 CD GLU A 16 -0.312 4.359 -12.317 1.00 0.00 C ATOM 218 OE1 GLU A 16 0.636 3.552 -12.430 1.00 0.00 O ATOM 219 OE2 GLU A 16 -0.692 5.083 -13.259 1.00 0.00 O ATOM 0 H GLU A 16 0.243 3.915 -7.963 1.00 0.00 H new ATOM 0 HA GLU A 16 1.613 4.503 -10.499 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.894 5.545 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.178 6.384 -10.494 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.109 3.491 -10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.032 4.850 -11.142 1.00 0.00 H new ATOM 226 N GLY A 17 2.293 5.931 -7.789 1.00 0.00 N ATOM 227 CA GLY A 17 3.059 6.989 -7.166 1.00 0.00 C ATOM 228 C GLY A 17 4.550 6.784 -7.310 1.00 0.00 C ATOM 229 O GLY A 17 5.333 7.687 -7.013 1.00 0.00 O ATOM 0 H GLY A 17 2.077 5.140 -7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.782 7.945 -7.611 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.803 7.044 -6.108 1.00 0.00 H new ATOM 233 N ASN A 18 4.937 5.579 -7.736 1.00 0.00 N ATOM 234 CA ASN A 18 6.345 5.230 -7.982 1.00 0.00 C ATOM 235 C ASN A 18 7.105 5.006 -6.668 1.00 0.00 C ATOM 236 O ASN A 18 8.168 4.387 -6.667 1.00 0.00 O ATOM 237 CB ASN A 18 7.029 6.311 -8.840 1.00 0.00 C ATOM 238 CG ASN A 18 8.486 6.009 -9.147 1.00 0.00 C ATOM 239 OD1 ASN A 18 8.796 5.345 -10.137 1.00 0.00 O ATOM 240 ND2 ASN A 18 9.391 6.509 -8.316 1.00 0.00 N ATOM 0 H ASN A 18 4.286 4.816 -7.921 1.00 0.00 H new ATOM 0 HA ASN A 18 6.366 4.291 -8.535 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.483 6.419 -9.777 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.966 7.268 -8.322 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.384 6.348 -8.486 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.094 7.054 -7.507 1.00 0.00 H new ATOM 247 N THR A 19 6.523 5.494 -5.564 1.00 0.00 N ATOM 248 CA THR A 19 7.089 5.397 -4.210 1.00 0.00 C ATOM 249 C THR A 19 8.475 6.049 -4.089 1.00 0.00 C ATOM 250 O THR A 19 9.184 6.236 -5.080 1.00 0.00 O ATOM 251 CB THR A 19 7.116 3.942 -3.659 1.00 0.00 C ATOM 252 OG1 THR A 19 7.577 3.006 -4.637 1.00 0.00 O ATOM 253 CG2 THR A 19 5.736 3.532 -3.179 1.00 0.00 C ATOM 0 H THR A 19 5.626 5.978 -5.587 1.00 0.00 H new ATOM 0 HA THR A 19 6.403 5.968 -3.584 1.00 0.00 H new ATOM 0 HB THR A 19 7.816 3.930 -2.823 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.175 3.459 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.772 2.512 -2.797 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.412 4.206 -2.386 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.032 3.584 -4.009 1.00 0.00 H new ATOM 261 N PRO A 20 8.873 6.443 -2.865 1.00 0.00 N ATOM 262 CA PRO A 20 8.068 6.272 -1.651 1.00 0.00 C ATOM 263 C PRO A 20 7.041 7.387 -1.449 1.00 0.00 C ATOM 264 O PRO A 20 6.980 8.346 -2.221 1.00 0.00 O ATOM 265 CB PRO A 20 9.120 6.338 -0.552 1.00 0.00 C ATOM 266 CG PRO A 20 10.152 7.276 -1.077 1.00 0.00 C ATOM 267 CD PRO A 20 10.160 7.102 -2.575 1.00 0.00 C ATOM 0 HA PRO A 20 7.481 5.354 -1.678 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.694 6.700 0.384 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.544 5.355 -0.349 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.916 8.305 -0.806 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.132 7.052 -0.654 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.242 8.060 -3.088 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.003 6.493 -2.901 1.00 0.00 H new ATOM 275 N LEU A 21 6.233 7.244 -0.407 1.00 0.00 N ATOM 276 CA LEU A 21 5.291 8.278 -0.005 1.00 0.00 C ATOM 277 C LEU A 21 5.070 8.193 1.500 1.00 0.00 C ATOM 278 O LEU A 21 4.895 7.104 2.048 1.00 0.00 O ATOM 279 CB LEU A 21 3.945 8.156 -0.749 1.00 0.00 C ATOM 280 CG LEU A 21 3.081 6.933 -0.402 1.00 0.00 C ATOM 281 CD1 LEU A 21 1.644 7.162 -0.840 1.00 0.00 C ATOM 282 CD2 LEU A 21 3.622 5.670 -1.056 1.00 0.00 C ATOM 0 H LEU A 21 6.212 6.411 0.181 1.00 0.00 H new ATOM 0 HA LEU A 21 5.715 9.247 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.361 9.055 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.147 8.139 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 21 3.113 6.800 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.043 6.288 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.243 8.037 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.614 7.325 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.989 4.823 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.627 5.795 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.638 5.486 -0.707 1.00 0.00 H new ATOM 294 N SER A 22 5.119 9.331 2.167 1.00 0.00 N ATOM 295 CA SER A 22 4.926 9.382 3.606 1.00 0.00 C ATOM 296 C SER A 22 3.440 9.458 3.939 1.00 0.00 C ATOM 297 O SER A 22 2.604 9.648 3.052 1.00 0.00 O ATOM 298 CB SER A 22 5.654 10.595 4.186 1.00 0.00 C ATOM 299 OG SER A 22 6.980 10.679 3.692 1.00 0.00 O ATOM 0 H SER A 22 5.292 10.238 1.733 1.00 0.00 H new ATOM 0 HA SER A 22 5.337 8.474 4.047 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.110 11.505 3.933 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.672 10.527 5.274 1.00 0.00 H new ATOM 0 HG SER A 22 7.423 11.464 4.077 1.00 0.00 H new ATOM 305 N GLU A 23 3.117 9.312 5.217 1.00 0.00 N ATOM 306 CA GLU A 23 1.744 9.457 5.684 1.00 0.00 C ATOM 307 C GLU A 23 1.218 10.854 5.345 1.00 0.00 C ATOM 308 O GLU A 23 0.065 11.016 4.936 1.00 0.00 O ATOM 309 CB GLU A 23 1.650 9.173 7.200 1.00 0.00 C ATOM 310 CG GLU A 23 2.385 10.162 8.113 1.00 0.00 C ATOM 311 CD GLU A 23 3.869 10.278 7.821 1.00 0.00 C ATOM 312 OE1 GLU A 23 4.652 9.474 8.357 1.00 0.00 O ATOM 313 OE2 GLU A 23 4.253 11.176 7.046 1.00 0.00 O ATOM 0 H GLU A 23 3.790 9.092 5.952 1.00 0.00 H new ATOM 0 HA GLU A 23 1.119 8.725 5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.597 9.160 7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.043 8.174 7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.926 11.146 8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.251 9.853 9.150 1.00 0.00 H new ATOM 320 N ASN A 24 2.097 11.846 5.466 1.00 0.00 N ATOM 321 CA ASN A 24 1.770 13.233 5.143 1.00 0.00 C ATOM 322 C ASN A 24 1.553 13.425 3.641 1.00 0.00 C ATOM 323 O ASN A 24 0.985 14.430 3.210 1.00 0.00 O ATOM 324 CB ASN A 24 2.882 14.171 5.630 1.00 0.00 C ATOM 325 CG ASN A 24 2.820 14.446 7.124 1.00 0.00 C ATOM 326 OD1 ASN A 24 2.206 15.418 7.561 1.00 0.00 O ATOM 327 ND2 ASN A 24 3.453 13.598 7.917 1.00 0.00 N ATOM 0 H ASN A 24 3.055 11.712 5.790 1.00 0.00 H new ATOM 0 HA ASN A 24 0.839 13.478 5.655 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.850 13.733 5.387 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.815 15.115 5.090 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.442 13.739 8.927 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.952 12.803 7.519 1.00 0.00 H new ATOM 334 N ASP A 25 2.012 12.465 2.846 1.00 0.00 N ATOM 335 CA ASP A 25 1.843 12.530 1.396 1.00 0.00 C ATOM 336 C ASP A 25 0.489 11.978 0.985 1.00 0.00 C ATOM 337 O ASP A 25 -0.252 12.613 0.233 1.00 0.00 O ATOM 338 CB ASP A 25 2.944 11.755 0.664 1.00 0.00 C ATOM 339 CG ASP A 25 4.277 12.471 0.673 1.00 0.00 C ATOM 340 OD1 ASP A 25 4.410 13.496 -0.027 1.00 0.00 O ATOM 341 OD2 ASP A 25 5.197 12.010 1.375 1.00 0.00 O ATOM 0 H ASP A 25 2.503 11.635 3.178 1.00 0.00 H new ATOM 0 HA ASP A 25 1.909 13.581 1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.061 10.775 1.128 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.636 11.585 -0.368 1.00 0.00 H new ATOM 346 N ILE A 26 0.168 10.789 1.483 1.00 0.00 N ATOM 347 CA ILE A 26 -1.070 10.115 1.114 1.00 0.00 C ATOM 348 C ILE A 26 -2.280 10.799 1.764 1.00 0.00 C ATOM 349 O ILE A 26 -3.326 10.953 1.131 1.00 0.00 O ATOM 350 CB ILE A 26 -1.003 8.599 1.464 1.00 0.00 C ATOM 351 CG1 ILE A 26 -2.240 7.823 0.961 1.00 0.00 C ATOM 352 CG2 ILE A 26 -0.804 8.388 2.956 1.00 0.00 C ATOM 353 CD1 ILE A 26 -3.461 7.897 1.861 1.00 0.00 C ATOM 0 H ILE A 26 0.749 10.272 2.144 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.195 10.193 0.034 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.137 8.195 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.511 8.203 -0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.965 6.776 0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.761 7.320 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.128 8.858 3.269 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.636 8.834 3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.274 7.320 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.216 7.487 2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.771 8.936 1.969 1.00 0.00 H new ATOM 365 N GLY A 27 -2.127 11.240 3.006 1.00 0.00 N ATOM 366 CA GLY A 27 -3.200 11.958 3.666 1.00 0.00 C ATOM 367 C GLY A 27 -3.750 11.229 4.877 1.00 0.00 C ATOM 368 O GLY A 27 -4.888 11.468 5.291 1.00 0.00 O ATOM 0 H GLY A 27 -1.284 11.114 3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.837 12.938 3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.008 12.127 2.954 1.00 0.00 H new ATOM 372 N VAL A 28 -2.957 10.334 5.445 1.00 0.00 N ATOM 373 CA VAL A 28 -3.349 9.631 6.660 1.00 0.00 C ATOM 374 C VAL A 28 -2.256 9.774 7.705 1.00 0.00 C ATOM 375 O VAL A 28 -1.197 10.327 7.418 1.00 0.00 O ATOM 376 CB VAL A 28 -3.629 8.126 6.415 1.00 0.00 C ATOM 377 CG1 VAL A 28 -4.766 7.939 5.421 1.00 0.00 C ATOM 378 CG2 VAL A 28 -2.373 7.404 5.945 1.00 0.00 C ATOM 0 H VAL A 28 -2.038 10.076 5.085 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.277 10.084 7.009 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.934 7.685 7.364 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.943 6.875 5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.671 8.404 5.812 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.500 8.404 4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.599 6.350 5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.024 7.850 5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.596 7.495 6.704 1.00 0.00 H new ATOM 388 N THR A 29 -2.508 9.297 8.912 1.00 0.00 N ATOM 389 CA THR A 29 -1.498 9.337 9.952 1.00 0.00 C ATOM 390 C THR A 29 -0.576 8.137 9.858 1.00 0.00 C ATOM 391 O THR A 29 -0.931 7.097 9.298 1.00 0.00 O ATOM 392 CB THR A 29 -2.114 9.419 11.365 1.00 0.00 C ATOM 393 OG1 THR A 29 -1.116 9.216 12.377 1.00 0.00 O ATOM 394 CG2 THR A 29 -3.237 8.409 11.544 1.00 0.00 C ATOM 0 H THR A 29 -3.396 8.881 9.193 1.00 0.00 H new ATOM 0 HA THR A 29 -0.919 10.246 9.790 1.00 0.00 H new ATOM 0 HB THR A 29 -2.529 10.421 11.473 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.403 9.880 12.271 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.647 8.495 12.550 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.022 8.605 10.814 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.847 7.402 11.396 1.00 0.00 H new ATOM 402 N GLU A 30 0.600 8.300 10.429 1.00 0.00 N ATOM 403 CA GLU A 30 1.639 7.283 10.400 1.00 0.00 C ATOM 404 C GLU A 30 1.191 6.022 11.129 1.00 0.00 C ATOM 405 O GLU A 30 1.588 4.916 10.772 1.00 0.00 O ATOM 406 CB GLU A 30 2.947 7.824 11.000 1.00 0.00 C ATOM 407 CG GLU A 30 2.768 8.708 12.231 1.00 0.00 C ATOM 408 CD GLU A 30 2.388 10.141 11.888 1.00 0.00 C ATOM 409 OE1 GLU A 30 3.298 10.960 11.645 1.00 0.00 O ATOM 410 OE2 GLU A 30 1.176 10.450 11.865 1.00 0.00 O ATOM 0 H GLU A 30 0.867 9.147 10.931 1.00 0.00 H new ATOM 0 HA GLU A 30 1.824 7.021 9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.585 6.981 11.265 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.473 8.394 10.234 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.998 8.278 12.871 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.694 8.712 12.806 1.00 0.00 H new ATOM 417 N ASP A 31 0.340 6.198 12.133 1.00 0.00 N ATOM 418 CA ASP A 31 -0.242 5.072 12.855 1.00 0.00 C ATOM 419 C ASP A 31 -0.985 4.157 11.899 1.00 0.00 C ATOM 420 O ASP A 31 -0.792 2.940 11.911 1.00 0.00 O ATOM 421 CB ASP A 31 -1.210 5.560 13.932 1.00 0.00 C ATOM 422 CG ASP A 31 -0.512 6.245 15.083 1.00 0.00 C ATOM 423 OD1 ASP A 31 -0.011 7.371 14.895 1.00 0.00 O ATOM 424 OD2 ASP A 31 -0.471 5.665 16.187 1.00 0.00 O ATOM 0 H ASP A 31 0.037 7.113 12.467 1.00 0.00 H new ATOM 0 HA ASP A 31 0.572 4.523 13.327 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.925 6.250 13.485 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.780 4.712 14.312 1.00 0.00 H new ATOM 429 N GLN A 32 -1.821 4.755 11.060 1.00 0.00 N ATOM 430 CA GLN A 32 -2.635 3.995 10.125 1.00 0.00 C ATOM 431 C GLN A 32 -1.840 3.636 8.878 1.00 0.00 C ATOM 432 O GLN A 32 -2.205 2.720 8.148 1.00 0.00 O ATOM 433 CB GLN A 32 -3.903 4.764 9.753 1.00 0.00 C ATOM 434 CG GLN A 32 -4.804 5.052 10.945 1.00 0.00 C ATOM 435 CD GLN A 32 -4.994 3.838 11.836 1.00 0.00 C ATOM 436 OE1 GLN A 32 -4.246 3.631 12.790 1.00 0.00 O ATOM 437 NE2 GLN A 32 -5.986 3.022 11.527 1.00 0.00 N ATOM 0 H GLN A 32 -1.952 5.765 11.009 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.932 3.069 10.617 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.623 5.706 9.282 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.463 4.192 9.013 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.377 5.866 11.531 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.776 5.392 10.588 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.585 3.228 10.728 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.153 2.186 12.088 1.00 0.00 H new ATOM 446 N PHE A 33 -0.757 4.365 8.634 1.00 0.00 N ATOM 447 CA PHE A 33 0.145 4.036 7.542 1.00 0.00 C ATOM 448 C PHE A 33 0.813 2.695 7.831 1.00 0.00 C ATOM 449 O PHE A 33 0.722 1.762 7.034 1.00 0.00 O ATOM 450 CB PHE A 33 1.196 5.137 7.358 1.00 0.00 C ATOM 451 CG PHE A 33 2.026 4.982 6.114 1.00 0.00 C ATOM 452 CD1 PHE A 33 1.542 5.414 4.890 1.00 0.00 C ATOM 453 CD2 PHE A 33 3.286 4.403 6.167 1.00 0.00 C ATOM 454 CE1 PHE A 33 2.296 5.272 3.741 1.00 0.00 C ATOM 455 CE2 PHE A 33 4.045 4.257 5.022 1.00 0.00 C ATOM 456 CZ PHE A 33 3.549 4.692 3.807 1.00 0.00 C ATOM 0 H PHE A 33 -0.485 5.185 9.177 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.423 3.962 6.615 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.694 6.104 7.331 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.856 5.145 8.225 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.563 5.867 4.833 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.678 4.063 7.114 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.907 5.614 2.793 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.024 3.804 5.076 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.140 4.579 2.910 1.00 0.00 H new ATOM 466 N ASP A 34 1.462 2.606 8.992 1.00 0.00 N ATOM 467 CA ASP A 34 2.041 1.350 9.468 1.00 0.00 C ATOM 468 C ASP A 34 0.974 0.270 9.530 1.00 0.00 C ATOM 469 O ASP A 34 1.172 -0.846 9.048 1.00 0.00 O ATOM 470 CB ASP A 34 2.653 1.526 10.864 1.00 0.00 C ATOM 471 CG ASP A 34 4.004 2.213 10.849 1.00 0.00 C ATOM 472 OD1 ASP A 34 4.117 3.314 10.276 1.00 0.00 O ATOM 473 OD2 ASP A 34 4.953 1.660 11.442 1.00 0.00 O ATOM 0 H ASP A 34 1.600 3.395 9.624 1.00 0.00 H new ATOM 0 HA ASP A 34 2.823 1.056 8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.967 2.104 11.483 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.757 0.547 11.333 1.00 0.00 H new ATOM 478 N ASP A 35 -0.160 0.625 10.128 1.00 0.00 N ATOM 479 CA ASP A 35 -1.301 -0.277 10.260 1.00 0.00 C ATOM 480 C ASP A 35 -1.695 -0.874 8.912 1.00 0.00 C ATOM 481 O ASP A 35 -1.853 -2.089 8.782 1.00 0.00 O ATOM 482 CB ASP A 35 -2.486 0.482 10.862 1.00 0.00 C ATOM 483 CG ASP A 35 -3.772 -0.320 10.864 1.00 0.00 C ATOM 484 OD1 ASP A 35 -4.036 -1.034 11.854 1.00 0.00 O ATOM 485 OD2 ASP A 35 -4.534 -0.226 9.882 1.00 0.00 O ATOM 0 H ASP A 35 -0.314 1.547 10.535 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.016 -1.097 10.919 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.243 0.769 11.885 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.641 1.404 10.301 1.00 0.00 H new ATOM 490 N ALA A 36 -1.831 -0.017 7.909 1.00 0.00 N ATOM 491 CA ALA A 36 -2.224 -0.451 6.581 1.00 0.00 C ATOM 492 C ALA A 36 -1.135 -1.288 5.929 1.00 0.00 C ATOM 493 O ALA A 36 -1.401 -2.390 5.465 1.00 0.00 O ATOM 494 CB ALA A 36 -2.566 0.743 5.706 1.00 0.00 C ATOM 0 H ALA A 36 -1.673 0.987 7.994 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.112 -1.074 6.686 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.858 0.396 4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.390 1.298 6.154 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.695 1.393 5.621 1.00 0.00 H new ATOM 500 N VAL A 37 0.091 -0.772 5.912 1.00 0.00 N ATOM 501 CA VAL A 37 1.202 -1.454 5.254 1.00 0.00 C ATOM 502 C VAL A 37 1.433 -2.841 5.853 1.00 0.00 C ATOM 503 O VAL A 37 1.650 -3.815 5.125 1.00 0.00 O ATOM 504 CB VAL A 37 2.505 -0.625 5.329 1.00 0.00 C ATOM 505 CG1 VAL A 37 3.682 -1.398 4.751 1.00 0.00 C ATOM 506 CG2 VAL A 37 2.334 0.702 4.601 1.00 0.00 C ATOM 0 H VAL A 37 0.340 0.116 6.346 1.00 0.00 H new ATOM 0 HA VAL A 37 0.928 -1.567 4.205 1.00 0.00 H new ATOM 0 HB VAL A 37 2.716 -0.425 6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.584 -0.790 4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.824 -2.320 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.482 -1.638 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.260 1.273 4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.093 0.515 3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.526 1.269 5.063 1.00 0.00 H new ATOM 516 N ASN A 38 1.366 -2.939 7.176 1.00 0.00 N ATOM 517 CA ASN A 38 1.524 -4.226 7.841 1.00 0.00 C ATOM 518 C ASN A 38 0.374 -5.158 7.481 1.00 0.00 C ATOM 519 O ASN A 38 0.587 -6.340 7.215 1.00 0.00 O ATOM 520 CB ASN A 38 1.622 -4.062 9.362 1.00 0.00 C ATOM 521 CG ASN A 38 2.934 -3.427 9.794 1.00 0.00 C ATOM 522 OD1 ASN A 38 3.953 -3.553 9.116 1.00 0.00 O ATOM 523 ND2 ASN A 38 2.918 -2.748 10.934 1.00 0.00 N ATOM 0 H ASN A 38 1.205 -2.151 7.803 1.00 0.00 H new ATOM 0 HA ASN A 38 2.457 -4.668 7.491 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.792 -3.449 9.713 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.520 -5.038 9.837 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.772 -2.307 11.277 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.052 -2.667 11.467 1.00 0.00 H new ATOM 530 N PHE A 39 -0.839 -4.614 7.445 1.00 0.00 N ATOM 531 CA PHE A 39 -2.019 -5.387 7.063 1.00 0.00 C ATOM 532 C PHE A 39 -1.913 -5.847 5.609 1.00 0.00 C ATOM 533 O PHE A 39 -2.219 -6.993 5.285 1.00 0.00 O ATOM 534 CB PHE A 39 -3.294 -4.553 7.260 1.00 0.00 C ATOM 535 CG PHE A 39 -4.558 -5.264 6.848 1.00 0.00 C ATOM 536 CD1 PHE A 39 -5.106 -6.251 7.650 1.00 0.00 C ATOM 537 CD2 PHE A 39 -5.191 -4.943 5.656 1.00 0.00 C ATOM 538 CE1 PHE A 39 -6.262 -6.908 7.271 1.00 0.00 C ATOM 539 CE2 PHE A 39 -6.346 -5.597 5.271 1.00 0.00 C ATOM 540 CZ PHE A 39 -6.883 -6.579 6.081 1.00 0.00 C ATOM 0 H PHE A 39 -1.032 -3.639 7.676 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.072 -6.267 7.704 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.373 -4.271 8.310 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.205 -3.630 6.687 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.625 -6.510 8.582 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.777 -4.173 5.022 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.679 -7.677 7.904 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.828 -5.341 4.339 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.788 -7.089 5.784 1.00 0.00 H new ATOM 550 N LEU A 40 -1.465 -4.943 4.748 1.00 0.00 N ATOM 551 CA LEU A 40 -1.304 -5.229 3.328 1.00 0.00 C ATOM 552 C LEU A 40 -0.333 -6.386 3.108 1.00 0.00 C ATOM 553 O LEU A 40 -0.594 -7.286 2.305 1.00 0.00 O ATOM 554 CB LEU A 40 -0.801 -3.982 2.596 1.00 0.00 C ATOM 555 CG LEU A 40 -1.763 -2.793 2.581 1.00 0.00 C ATOM 556 CD1 LEU A 40 -1.081 -1.562 2.002 1.00 0.00 C ATOM 557 CD2 LEU A 40 -3.007 -3.124 1.779 1.00 0.00 C ATOM 0 H LEU A 40 -1.204 -3.993 5.013 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.276 -5.517 2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.134 -3.664 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.572 -4.255 1.566 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.057 -2.580 3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.780 -0.726 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.213 -1.307 2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.760 -1.770 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.679 -2.266 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.726 -3.364 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.511 -3.981 2.227 1.00 0.00 H new ATOM 569 N LYS A 41 0.788 -6.362 3.821 1.00 0.00 N ATOM 570 CA LYS A 41 1.780 -7.426 3.719 1.00 0.00 C ATOM 571 C LYS A 41 1.254 -8.707 4.364 1.00 0.00 C ATOM 572 O LYS A 41 1.535 -9.813 3.902 1.00 0.00 O ATOM 573 CB LYS A 41 3.094 -7.010 4.391 1.00 0.00 C ATOM 574 CG LYS A 41 4.241 -7.975 4.124 1.00 0.00 C ATOM 575 CD LYS A 41 5.505 -7.615 4.900 1.00 0.00 C ATOM 576 CE LYS A 41 5.414 -8.019 6.368 1.00 0.00 C ATOM 577 NZ LYS A 41 4.569 -7.091 7.165 1.00 0.00 N ATOM 0 H LYS A 41 1.032 -5.618 4.475 1.00 0.00 H new ATOM 0 HA LYS A 41 1.970 -7.611 2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.375 -6.017 4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.935 -6.934 5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.931 -8.985 4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.464 -7.982 3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.363 -8.107 4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.679 -6.541 4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.006 -9.027 6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.416 -8.050 6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.649 -7.329 8.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.889 -6.113 7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.577 -7.181 6.865 1.00 0.00 H new ATOM 591 N ARG A 42 0.481 -8.541 5.431 1.00 0.00 N ATOM 592 CA ARG A 42 -0.075 -9.668 6.172 1.00 0.00 C ATOM 593 C ARG A 42 -1.083 -10.431 5.314 1.00 0.00 C ATOM 594 O ARG A 42 -1.129 -11.662 5.334 1.00 0.00 O ATOM 595 CB ARG A 42 -0.757 -9.165 7.445 1.00 0.00 C ATOM 596 CG ARG A 42 -0.601 -10.088 8.641 1.00 0.00 C ATOM 597 CD ARG A 42 -1.363 -9.554 9.845 1.00 0.00 C ATOM 598 NE ARG A 42 -1.005 -10.250 11.078 1.00 0.00 N ATOM 599 CZ ARG A 42 -1.767 -11.167 11.668 1.00 0.00 C ATOM 600 NH1 ARG A 42 -2.893 -11.578 11.094 1.00 0.00 N ATOM 601 NH2 ARG A 42 -1.388 -11.686 12.826 1.00 0.00 N ATOM 0 H ARG A 42 0.223 -7.628 5.805 1.00 0.00 H new ATOM 0 HA ARG A 42 0.738 -10.344 6.438 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.350 -8.187 7.700 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.819 -9.026 7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.966 -11.083 8.387 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.455 -10.190 8.891 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.159 -8.489 9.959 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.434 -9.657 9.670 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.113 -10.018 11.515 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.178 -11.190 10.195 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.472 -12.281 11.553 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.516 -11.382 13.260 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.968 -12.389 13.284 1.00 0.00 H new ATOM 615 N GLU A 43 -1.892 -9.686 4.567 1.00 0.00 N ATOM 616 CA GLU A 43 -2.883 -10.278 3.677 1.00 0.00 C ATOM 617 C GLU A 43 -2.192 -10.852 2.441 1.00 0.00 C ATOM 618 O GLU A 43 -2.518 -11.949 1.983 1.00 0.00 O ATOM 619 CB GLU A 43 -3.899 -9.204 3.273 1.00 0.00 C ATOM 620 CG GLU A 43 -5.352 -9.666 3.287 1.00 0.00 C ATOM 621 CD GLU A 43 -5.670 -10.699 2.225 1.00 0.00 C ATOM 622 OE1 GLU A 43 -5.383 -10.449 1.038 1.00 0.00 O ATOM 623 OE2 GLU A 43 -6.221 -11.765 2.573 1.00 0.00 O ATOM 0 H GLU A 43 -1.880 -8.666 4.561 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.403 -11.088 4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.796 -8.353 3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.654 -8.849 2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.583 -10.082 4.268 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.001 -8.801 3.147 1.00 0.00 H new ATOM 630 N GLY A 44 -1.201 -10.123 1.939 1.00 0.00 N ATOM 631 CA GLY A 44 -0.435 -10.589 0.798 1.00 0.00 C ATOM 632 C GLY A 44 -0.685 -9.768 -0.453 1.00 0.00 C ATOM 633 O GLY A 44 -0.620 -10.290 -1.569 1.00 0.00 O ATOM 0 H GLY A 44 -0.914 -9.215 2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.627 -10.557 1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.685 -11.631 0.599 1.00 0.00 H new ATOM 637 N TYR A 45 -0.957 -8.481 -0.275 1.00 0.00 N ATOM 638 CA TYR A 45 -1.242 -7.601 -1.402 1.00 0.00 C ATOM 639 C TYR A 45 0.037 -7.185 -2.121 1.00 0.00 C ATOM 640 O TYR A 45 0.075 -7.131 -3.351 1.00 0.00 O ATOM 641 CB TYR A 45 -1.999 -6.352 -0.944 1.00 0.00 C ATOM 642 CG TYR A 45 -3.404 -6.623 -0.455 1.00 0.00 C ATOM 643 CD1 TYR A 45 -4.378 -7.118 -1.314 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.761 -6.374 0.863 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.664 -7.359 -0.873 1.00 0.00 C ATOM 646 CE2 TYR A 45 -5.046 -6.610 1.311 1.00 0.00 C ATOM 647 CZ TYR A 45 -5.994 -7.102 0.439 1.00 0.00 C ATOM 648 OH TYR A 45 -7.273 -7.339 0.881 1.00 0.00 O ATOM 0 H TYR A 45 -0.986 -8.024 0.636 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.866 -8.162 -2.097 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.435 -5.871 -0.145 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.045 -5.645 -1.772 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.124 -7.318 -2.345 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.022 -5.989 1.550 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.407 -7.747 -1.554 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.307 -6.410 2.340 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.339 -7.106 1.831 1.00 0.00 H new ATOM 658 N ILE A 46 1.081 -6.881 -1.359 1.00 0.00 N ATOM 659 CA ILE A 46 2.336 -6.416 -1.945 1.00 0.00 C ATOM 660 C ILE A 46 3.532 -7.026 -1.226 1.00 0.00 C ATOM 661 O ILE A 46 3.410 -7.523 -0.104 1.00 0.00 O ATOM 662 CB ILE A 46 2.483 -4.864 -1.922 1.00 0.00 C ATOM 663 CG1 ILE A 46 2.786 -4.331 -0.509 1.00 0.00 C ATOM 664 CG2 ILE A 46 1.242 -4.187 -2.488 1.00 0.00 C ATOM 665 CD1 ILE A 46 1.703 -4.589 0.512 1.00 0.00 C ATOM 0 H ILE A 46 1.086 -6.947 -0.341 1.00 0.00 H new ATOM 0 HA ILE A 46 2.312 -6.740 -2.985 1.00 0.00 H new ATOM 0 HB ILE A 46 3.335 -4.619 -2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.713 -4.783 -0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.959 -3.257 -0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.373 -3.105 -2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.091 -4.507 -3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.373 -4.463 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.006 -4.178 1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.777 -4.112 0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.543 -5.663 0.610 1.00 0.00 H new ATOM 677 N ILE A 47 4.681 -6.983 -1.883 1.00 0.00 N ATOM 678 CA ILE A 47 5.938 -7.407 -1.283 1.00 0.00 C ATOM 679 C ILE A 47 6.979 -6.315 -1.478 1.00 0.00 C ATOM 680 O ILE A 47 6.741 -5.360 -2.216 1.00 0.00 O ATOM 681 CB ILE A 47 6.479 -8.743 -1.865 1.00 0.00 C ATOM 682 CG1 ILE A 47 6.805 -8.629 -3.367 1.00 0.00 C ATOM 683 CG2 ILE A 47 5.491 -9.872 -1.609 1.00 0.00 C ATOM 684 CD1 ILE A 47 5.598 -8.630 -4.286 1.00 0.00 C ATOM 0 H ILE A 47 4.769 -6.654 -2.845 1.00 0.00 H new ATOM 0 HA ILE A 47 5.742 -7.580 -0.225 1.00 0.00 H new ATOM 0 HB ILE A 47 7.413 -8.971 -1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.368 -7.711 -3.533 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.456 -9.457 -3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.884 -10.801 -2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.341 -9.988 -0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.539 -9.637 -2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.929 -8.546 -5.321 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.043 -9.559 -4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.954 -7.785 -4.041 1.00 0.00 H new ATOM 696 N GLY A 48 8.119 -6.450 -0.821 1.00 0.00 N ATOM 697 CA GLY A 48 9.160 -5.450 -0.946 1.00 0.00 C ATOM 698 C GLY A 48 9.049 -4.358 0.096 1.00 0.00 C ATOM 699 O GLY A 48 9.588 -3.265 -0.077 1.00 0.00 O ATOM 0 H GLY A 48 8.343 -7.231 -0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.134 -5.932 -0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.113 -5.005 -1.940 1.00 0.00 H new ATOM 703 N VAL A 49 8.339 -4.642 1.175 1.00 0.00 N ATOM 704 CA VAL A 49 8.223 -3.699 2.275 1.00 0.00 C ATOM 705 C VAL A 49 9.452 -3.798 3.171 1.00 0.00 C ATOM 706 O VAL A 49 9.692 -4.828 3.799 1.00 0.00 O ATOM 707 CB VAL A 49 6.945 -3.940 3.107 1.00 0.00 C ATOM 708 CG1 VAL A 49 6.885 -2.988 4.291 1.00 0.00 C ATOM 709 CG2 VAL A 49 5.705 -3.782 2.238 1.00 0.00 C ATOM 0 H VAL A 49 7.834 -5.518 1.313 1.00 0.00 H new ATOM 0 HA VAL A 49 8.156 -2.698 1.849 1.00 0.00 H new ATOM 0 HB VAL A 49 6.975 -4.961 3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.976 -3.176 4.863 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.755 -3.146 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.881 -1.959 3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.814 -3.955 2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.675 -2.773 1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.738 -4.505 1.423 1.00 0.00 H new ATOM 719 N HIS A 50 10.231 -2.730 3.210 1.00 0.00 N ATOM 720 CA HIS A 50 11.482 -2.724 3.957 1.00 0.00 C ATOM 721 C HIS A 50 11.254 -2.297 5.398 1.00 0.00 C ATOM 722 O HIS A 50 10.449 -1.408 5.671 1.00 0.00 O ATOM 723 CB HIS A 50 12.497 -1.787 3.295 1.00 0.00 C ATOM 724 CG HIS A 50 13.042 -2.302 1.999 1.00 0.00 C ATOM 725 ND1 HIS A 50 14.372 -2.222 1.659 1.00 0.00 N ATOM 726 CD2 HIS A 50 12.427 -2.901 0.951 1.00 0.00 C ATOM 727 CE1 HIS A 50 14.551 -2.748 0.463 1.00 0.00 C ATOM 728 NE2 HIS A 50 13.388 -3.170 0.011 1.00 0.00 N ATOM 0 H HIS A 50 10.020 -1.853 2.733 1.00 0.00 H new ATOM 0 HA HIS A 50 11.877 -3.740 3.953 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.025 -0.820 3.121 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.324 -1.618 3.984 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.374 -3.125 0.871 1.00 0.00 H new ATOM 0 HE1 HIS A 50 15.494 -2.821 -0.059 1.00 0.00 H new ATOM 0 HE2 HIS A 50 13.229 -3.622 -0.889 1.00 0.00 H new ATOM 737 N TYR A 51 11.956 -2.941 6.312 1.00 0.00 N ATOM 738 CA TYR A 51 11.894 -2.593 7.723 1.00 0.00 C ATOM 739 C TYR A 51 13.283 -2.193 8.203 1.00 0.00 C ATOM 740 O TYR A 51 14.272 -2.849 7.866 1.00 0.00 O ATOM 741 CB TYR A 51 11.349 -3.767 8.544 1.00 0.00 C ATOM 742 CG TYR A 51 9.880 -4.044 8.314 1.00 0.00 C ATOM 743 CD1 TYR A 51 9.453 -4.756 7.202 1.00 0.00 C ATOM 744 CD2 TYR A 51 8.922 -3.586 9.209 1.00 0.00 C ATOM 745 CE1 TYR A 51 8.111 -5.003 6.988 1.00 0.00 C ATOM 746 CE2 TYR A 51 7.579 -3.829 9.001 1.00 0.00 C ATOM 747 CZ TYR A 51 7.178 -4.537 7.890 1.00 0.00 C ATOM 748 OH TYR A 51 5.839 -4.774 7.676 1.00 0.00 O ATOM 0 H TYR A 51 12.583 -3.717 6.101 1.00 0.00 H new ATOM 0 HA TYR A 51 11.215 -1.751 7.858 1.00 0.00 H new ATOM 0 HB2 TYR A 51 11.920 -4.663 8.302 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.509 -3.563 9.603 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.181 -5.122 6.493 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.233 -3.031 10.082 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.794 -5.559 6.118 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.846 -3.466 9.706 1.00 0.00 H new ATOM 0 HH TYR A 51 5.307 -4.123 8.179 1.00 0.00 H new ATOM 793 N ARG A 55 9.902 -0.235 11.983 1.00 0.00 N ATOM 794 CA ARG A 55 8.743 0.129 11.197 1.00 0.00 C ATOM 795 C ARG A 55 9.047 0.035 9.709 1.00 0.00 C ATOM 796 O ARG A 55 10.213 0.073 9.303 1.00 0.00 O ATOM 797 CB ARG A 55 8.310 1.549 11.560 1.00 0.00 C ATOM 798 CG ARG A 55 7.851 1.691 12.999 1.00 0.00 C ATOM 799 CD ARG A 55 7.497 3.128 13.319 1.00 0.00 C ATOM 800 NE ARG A 55 6.529 3.668 12.374 1.00 0.00 N ATOM 801 CZ ARG A 55 6.504 4.937 11.983 1.00 0.00 C ATOM 802 NH1 ARG A 55 7.364 5.815 12.491 1.00 0.00 N ATOM 803 NH2 ARG A 55 5.613 5.325 11.088 1.00 0.00 N ATOM 0 HA ARG A 55 7.933 -0.566 11.419 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.142 2.231 11.383 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.501 1.855 10.897 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.985 1.053 13.172 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.638 1.349 13.671 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.091 3.186 14.329 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.400 3.738 13.303 1.00 0.00 H new ATOM 0 HE ARG A 55 5.829 3.034 11.990 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.048 5.515 13.185 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.339 6.788 12.186 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.951 4.652 10.703 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.587 6.298 10.783 1.00 0.00 H new ATOM 817 N PRO A 56 8.001 -0.098 8.882 1.00 0.00 N ATOM 818 CA PRO A 56 8.151 -0.182 7.431 1.00 0.00 C ATOM 819 C PRO A 56 8.536 1.154 6.799 1.00 0.00 C ATOM 820 O PRO A 56 7.975 2.200 7.127 1.00 0.00 O ATOM 821 CB PRO A 56 6.764 -0.616 6.954 1.00 0.00 C ATOM 822 CG PRO A 56 5.829 -0.127 8.002 1.00 0.00 C ATOM 823 CD PRO A 56 6.587 -0.189 9.298 1.00 0.00 C ATOM 0 HA PRO A 56 8.951 -0.867 7.149 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.528 -0.185 5.981 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.704 -1.699 6.845 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.503 0.891 7.789 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.933 -0.746 8.045 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.312 0.630 9.962 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.387 -1.116 9.835 1.00 0.00 H new ATOM 831 N HIS A 57 9.504 1.107 5.901 1.00 0.00 N ATOM 832 CA HIS A 57 9.902 2.275 5.133 1.00 0.00 C ATOM 833 C HIS A 57 9.862 1.942 3.651 1.00 0.00 C ATOM 834 O HIS A 57 10.314 0.873 3.235 1.00 0.00 O ATOM 835 CB HIS A 57 11.307 2.753 5.520 1.00 0.00 C ATOM 836 CG HIS A 57 11.398 3.356 6.887 1.00 0.00 C ATOM 837 ND1 HIS A 57 11.065 4.665 7.159 1.00 0.00 N ATOM 838 CD2 HIS A 57 11.807 2.822 8.061 1.00 0.00 C ATOM 839 CE1 HIS A 57 11.268 4.909 8.439 1.00 0.00 C ATOM 840 NE2 HIS A 57 11.719 3.807 9.012 1.00 0.00 N ATOM 0 H HIS A 57 10.034 0.263 5.684 1.00 0.00 H new ATOM 0 HA HIS A 57 9.203 3.082 5.354 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.994 1.909 5.462 1.00 0.00 H new ATOM 0 HB3 HIS A 57 11.642 3.488 4.788 1.00 0.00 H new ATOM 0 HD2 HIS A 57 12.141 1.807 8.220 1.00 0.00 H new ATOM 0 HE1 HIS A 57 11.095 5.852 8.936 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.961 3.706 9.998 1.00 0.00 H new ATOM 849 N LEU A 58 9.305 2.840 2.861 1.00 0.00 N ATOM 850 CA LEU A 58 9.195 2.623 1.428 1.00 0.00 C ATOM 851 C LEU A 58 10.312 3.345 0.690 1.00 0.00 C ATOM 852 O LEU A 58 10.843 4.346 1.172 1.00 0.00 O ATOM 853 CB LEU A 58 7.827 3.088 0.918 1.00 0.00 C ATOM 854 CG LEU A 58 6.628 2.316 1.478 1.00 0.00 C ATOM 855 CD1 LEU A 58 5.328 2.867 0.915 1.00 0.00 C ATOM 856 CD2 LEU A 58 6.754 0.833 1.162 1.00 0.00 C ATOM 0 H LEU A 58 8.921 3.727 3.186 1.00 0.00 H new ATOM 0 HA LEU A 58 9.290 1.555 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.705 4.144 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.815 3.008 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 58 6.616 2.440 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.488 2.306 1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.230 3.918 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.333 2.773 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.894 0.300 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.791 0.693 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.667 0.442 1.610 1.00 0.00 H new ATOM 868 N TYR A 59 10.673 2.821 -0.468 1.00 0.00 N ATOM 869 CA TYR A 59 11.705 3.417 -1.301 1.00 0.00 C ATOM 870 C TYR A 59 11.232 3.451 -2.743 1.00 0.00 C ATOM 871 O TYR A 59 10.113 3.038 -3.030 1.00 0.00 O ATOM 872 CB TYR A 59 13.018 2.634 -1.189 1.00 0.00 C ATOM 873 CG TYR A 59 13.694 2.759 0.159 1.00 0.00 C ATOM 874 CD1 TYR A 59 14.466 3.872 0.465 1.00 0.00 C ATOM 875 CD2 TYR A 59 13.555 1.769 1.126 1.00 0.00 C ATOM 876 CE1 TYR A 59 15.085 3.995 1.694 1.00 0.00 C ATOM 877 CE2 TYR A 59 14.172 1.887 2.357 1.00 0.00 C ATOM 878 CZ TYR A 59 14.935 3.002 2.636 1.00 0.00 C ATOM 879 OH TYR A 59 15.551 3.123 3.859 1.00 0.00 O ATOM 0 H TYR A 59 10.261 1.973 -0.857 1.00 0.00 H new ATOM 0 HA TYR A 59 11.892 4.434 -0.957 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.820 1.581 -1.389 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.704 2.981 -1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 59 14.584 4.654 -0.270 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.957 0.896 0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 59 15.684 4.866 1.915 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.057 1.109 3.098 1.00 0.00 H new ATOM 0 HH TYR A 59 15.344 2.338 4.409 1.00 0.00 H new ATOM 889 N LYS A 60 12.080 3.930 -3.643 1.00 0.00 N ATOM 890 CA LYS A 60 11.703 4.061 -5.045 1.00 0.00 C ATOM 891 C LYS A 60 11.620 2.693 -5.716 1.00 0.00 C ATOM 892 O LYS A 60 10.850 2.494 -6.654 1.00 0.00 O ATOM 893 CB LYS A 60 12.702 4.958 -5.778 1.00 0.00 C ATOM 894 CG LYS A 60 12.756 6.375 -5.226 1.00 0.00 C ATOM 895 CD LYS A 60 13.761 7.230 -5.975 1.00 0.00 C ATOM 896 CE LYS A 60 13.774 8.658 -5.448 1.00 0.00 C ATOM 897 NZ LYS A 60 14.130 8.722 -4.005 1.00 0.00 N ATOM 0 H LYS A 60 13.030 4.233 -3.429 1.00 0.00 H new ATOM 0 HA LYS A 60 10.716 4.521 -5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.695 4.512 -5.714 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.438 4.997 -6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.768 6.830 -5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.020 6.344 -4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 60 14.756 6.795 -5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.518 7.234 -7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.487 9.249 -6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.793 9.108 -5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.325 9.708 -3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.338 8.360 -3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.976 8.142 -3.830 1.00 0.00 H new ATOM 911 N LEU A 61 12.416 1.751 -5.232 1.00 0.00 N ATOM 912 CA LEU A 61 12.374 0.388 -5.732 1.00 0.00 C ATOM 913 C LEU A 61 12.223 -0.573 -4.560 1.00 0.00 C ATOM 914 O LEU A 61 13.000 -0.526 -3.602 1.00 0.00 O ATOM 915 CB LEU A 61 13.643 0.074 -6.540 1.00 0.00 C ATOM 916 CG LEU A 61 13.584 -1.173 -7.439 1.00 0.00 C ATOM 917 CD1 LEU A 61 14.711 -1.138 -8.457 1.00 0.00 C ATOM 918 CD2 LEU A 61 13.672 -2.455 -6.620 1.00 0.00 C ATOM 0 H LEU A 61 13.100 1.908 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 61 11.519 0.271 -6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.873 0.937 -7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.472 -0.045 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 61 12.625 -1.164 -7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.659 -2.025 -9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.614 -0.246 -9.076 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.669 -1.117 -7.938 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.627 -3.316 -7.286 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.612 -2.471 -6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.839 -2.496 -5.918 1.00 0.00 H new ATOM 930 N GLY A 62 11.222 -1.434 -4.634 1.00 0.00 N ATOM 931 CA GLY A 62 10.973 -2.374 -3.564 1.00 0.00 C ATOM 932 C GLY A 62 9.536 -2.861 -3.537 1.00 0.00 C ATOM 933 O GLY A 62 9.283 -4.049 -3.752 1.00 0.00 O ATOM 0 H GLY A 62 10.575 -1.499 -5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.640 -3.229 -3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.211 -1.904 -2.610 1.00 0.00 H new ATOM 937 N PRO A 63 8.568 -1.965 -3.275 1.00 0.00 N ATOM 938 CA PRO A 63 7.158 -2.338 -3.144 1.00 0.00 C ATOM 939 C PRO A 63 6.526 -2.745 -4.473 1.00 0.00 C ATOM 940 O PRO A 63 6.169 -1.899 -5.292 1.00 0.00 O ATOM 941 CB PRO A 63 6.484 -1.070 -2.599 1.00 0.00 C ATOM 942 CG PRO A 63 7.595 -0.148 -2.216 1.00 0.00 C ATOM 943 CD PRO A 63 8.761 -0.522 -3.080 1.00 0.00 C ATOM 0 HA PRO A 63 7.040 -3.208 -2.497 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.841 -0.615 -3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.854 -1.301 -1.740 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.310 0.892 -2.374 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.843 -0.254 -1.160 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.754 0.019 -4.026 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.712 -0.303 -2.594 1.00 0.00 H new ATOM 951 N GLU A 64 6.407 -4.046 -4.680 1.00 0.00 N ATOM 952 CA GLU A 64 5.741 -4.583 -5.855 1.00 0.00 C ATOM 953 C GLU A 64 4.375 -5.131 -5.464 1.00 0.00 C ATOM 954 O GLU A 64 4.227 -5.739 -4.403 1.00 0.00 O ATOM 955 CB GLU A 64 6.579 -5.695 -6.491 1.00 0.00 C ATOM 956 CG GLU A 64 7.909 -5.227 -7.055 1.00 0.00 C ATOM 957 CD GLU A 64 7.743 -4.273 -8.220 1.00 0.00 C ATOM 958 OE1 GLU A 64 7.352 -4.727 -9.316 1.00 0.00 O ATOM 959 OE2 GLU A 64 8.007 -3.066 -8.050 1.00 0.00 O ATOM 0 H GLU A 64 6.767 -4.756 -4.042 1.00 0.00 H new ATOM 0 HA GLU A 64 5.619 -3.780 -6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.765 -6.467 -5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.001 -6.158 -7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.481 -4.737 -6.267 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.487 -6.092 -7.378 1.00 0.00 H new ATOM 966 N LEU A 65 3.379 -4.910 -6.306 1.00 0.00 N ATOM 967 CA LEU A 65 2.035 -5.402 -6.033 1.00 0.00 C ATOM 968 C LEU A 65 1.844 -6.790 -6.637 1.00 0.00 C ATOM 969 O LEU A 65 2.326 -7.069 -7.736 1.00 0.00 O ATOM 970 CB LEU A 65 0.968 -4.439 -6.585 1.00 0.00 C ATOM 971 CG LEU A 65 0.854 -3.082 -5.874 1.00 0.00 C ATOM 972 CD1 LEU A 65 1.990 -2.155 -6.273 1.00 0.00 C ATOM 973 CD2 LEU A 65 -0.492 -2.439 -6.167 1.00 0.00 C ATOM 0 H LEU A 65 3.473 -4.395 -7.182 1.00 0.00 H new ATOM 0 HA LEU A 65 1.915 -5.463 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.180 -4.258 -7.639 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.001 -4.935 -6.536 1.00 0.00 H new ATOM 0 HG LEU A 65 0.928 -3.257 -4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.882 -1.203 -5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.943 -2.610 -6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.961 -1.987 -7.350 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.556 -1.479 -5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.596 -2.286 -7.241 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.291 -3.091 -5.815 1.00 0.00 H new ATOM 985 N THR A 66 1.165 -7.665 -5.909 1.00 0.00 N ATOM 986 CA THR A 66 0.855 -8.994 -6.415 1.00 0.00 C ATOM 987 C THR A 66 -0.481 -8.965 -7.141 1.00 0.00 C ATOM 988 O THR A 66 -1.147 -7.926 -7.176 1.00 0.00 O ATOM 989 CB THR A 66 0.789 -10.037 -5.278 1.00 0.00 C ATOM 990 OG1 THR A 66 -0.293 -9.730 -4.388 1.00 0.00 O ATOM 991 CG2 THR A 66 2.093 -10.076 -4.495 1.00 0.00 C ATOM 0 H THR A 66 0.819 -7.479 -4.968 1.00 0.00 H new ATOM 0 HA THR A 66 1.653 -9.283 -7.099 1.00 0.00 H new ATOM 0 HB THR A 66 0.624 -11.015 -5.730 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.179 -8.823 -4.035 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.018 -10.819 -3.701 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.911 -10.341 -5.164 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.285 -9.096 -4.058 1.00 0.00 H new ATOM 999 N GLU A 67 -0.879 -10.094 -7.715 1.00 0.00 N ATOM 1000 CA GLU A 67 -2.186 -10.195 -8.349 1.00 0.00 C ATOM 1001 C GLU A 67 -3.293 -9.913 -7.345 1.00 0.00 C ATOM 1002 O GLU A 67 -4.326 -9.345 -7.695 1.00 0.00 O ATOM 1003 CB GLU A 67 -2.393 -11.577 -8.967 1.00 0.00 C ATOM 1004 CG GLU A 67 -1.531 -11.828 -10.188 1.00 0.00 C ATOM 1005 CD GLU A 67 -1.719 -10.770 -11.255 1.00 0.00 C ATOM 1006 OE1 GLU A 67 -2.852 -10.626 -11.763 1.00 0.00 O ATOM 1007 OE2 GLU A 67 -0.729 -10.089 -11.597 1.00 0.00 O ATOM 0 H GLU A 67 -0.320 -10.946 -7.754 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.225 -9.449 -9.143 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.177 -12.338 -8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.442 -11.690 -9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.483 -11.857 -9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.771 -12.806 -10.604 1.00 0.00 H new ATOM 1014 N LYS A 68 -3.063 -10.292 -6.094 1.00 0.00 N ATOM 1015 CA LYS A 68 -4.045 -10.078 -5.042 1.00 0.00 C ATOM 1016 C LYS A 68 -4.281 -8.584 -4.839 1.00 0.00 C ATOM 1017 O LYS A 68 -5.422 -8.134 -4.738 1.00 0.00 O ATOM 1018 CB LYS A 68 -3.581 -10.727 -3.733 1.00 0.00 C ATOM 1019 CG LYS A 68 -4.631 -10.708 -2.626 1.00 0.00 C ATOM 1020 CD LYS A 68 -5.873 -11.485 -3.033 1.00 0.00 C ATOM 1021 CE LYS A 68 -6.954 -11.434 -1.963 1.00 0.00 C ATOM 1022 NZ LYS A 68 -6.519 -12.064 -0.690 1.00 0.00 N ATOM 0 H LYS A 68 -2.205 -10.749 -5.785 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.983 -10.544 -5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.296 -11.760 -3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.687 -10.212 -3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.212 -11.138 -1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.902 -9.678 -2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.266 -11.078 -3.965 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.604 -12.523 -3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.228 -10.396 -1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.848 -11.939 -2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.328 -12.127 -0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.154 -13.019 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.770 -11.488 -0.256 1.00 0.00 H new ATOM 1036 N GLY A 69 -3.196 -7.818 -4.805 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.303 -6.385 -4.609 1.00 0.00 C ATOM 1038 C GLY A 69 -3.745 -5.654 -5.862 1.00 0.00 C ATOM 1039 O GLY A 69 -4.578 -4.750 -5.801 1.00 0.00 O ATOM 0 H GLY A 69 -2.243 -8.165 -4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.013 -6.184 -3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.338 -5.994 -4.286 1.00 0.00 H new ATOM 1043 N GLU A 70 -3.194 -6.057 -6.999 1.00 0.00 N ATOM 1044 CA GLU A 70 -3.489 -5.406 -8.265 1.00 0.00 C ATOM 1045 C GLU A 70 -4.957 -5.586 -8.643 1.00 0.00 C ATOM 1046 O GLU A 70 -5.606 -4.652 -9.117 1.00 0.00 O ATOM 1047 CB GLU A 70 -2.592 -5.958 -9.374 1.00 0.00 C ATOM 1048 CG GLU A 70 -2.666 -5.163 -10.665 1.00 0.00 C ATOM 1049 CD GLU A 70 -1.889 -5.808 -11.788 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -0.644 -5.696 -11.801 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -2.521 -6.420 -12.674 1.00 0.00 O ATOM 0 H GLU A 70 -2.538 -6.835 -7.069 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.291 -4.341 -8.148 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.560 -5.971 -9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.873 -6.992 -9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.709 -5.057 -10.963 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.281 -4.158 -10.492 1.00 0.00 H new ATOM 1058 N ASN A 71 -5.489 -6.781 -8.422 1.00 0.00 N ATOM 1059 CA ASN A 71 -6.886 -7.054 -8.743 1.00 0.00 C ATOM 1060 C ASN A 71 -7.803 -6.498 -7.664 1.00 0.00 C ATOM 1061 O ASN A 71 -8.990 -6.275 -7.902 1.00 0.00 O ATOM 1062 CB ASN A 71 -7.132 -8.551 -8.943 1.00 0.00 C ATOM 1063 CG ASN A 71 -6.565 -9.053 -10.258 1.00 0.00 C ATOM 1064 OD1 ASN A 71 -7.226 -9.002 -11.294 1.00 0.00 O ATOM 1065 ND2 ASN A 71 -5.340 -9.551 -10.220 1.00 0.00 N ATOM 0 H ASN A 71 -4.981 -7.571 -8.025 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.114 -6.553 -9.684 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.681 -9.105 -8.120 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.203 -8.749 -8.912 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.909 -9.911 -11.071 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.826 -9.574 -9.339 1.00 0.00 H new ATOM 1072 N TYR A 72 -7.244 -6.265 -6.480 1.00 0.00 N ATOM 1073 CA TYR A 72 -7.970 -5.594 -5.407 1.00 0.00 C ATOM 1074 C TYR A 72 -8.282 -4.156 -5.813 1.00 0.00 C ATOM 1075 O TYR A 72 -9.325 -3.606 -5.456 1.00 0.00 O ATOM 1076 CB TYR A 72 -7.151 -5.619 -4.110 1.00 0.00 C ATOM 1077 CG TYR A 72 -7.725 -4.762 -3.003 1.00 0.00 C ATOM 1078 CD1 TYR A 72 -8.832 -5.177 -2.277 1.00 0.00 C ATOM 1079 CD2 TYR A 72 -7.161 -3.529 -2.694 1.00 0.00 C ATOM 1080 CE1 TYR A 72 -9.360 -4.390 -1.273 1.00 0.00 C ATOM 1081 CE2 TYR A 72 -7.685 -2.735 -1.693 1.00 0.00 C ATOM 1082 CZ TYR A 72 -8.784 -3.170 -0.985 1.00 0.00 C ATOM 1083 OH TYR A 72 -9.318 -2.377 0.006 1.00 0.00 O ATOM 0 H TYR A 72 -6.289 -6.531 -6.239 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.907 -6.122 -5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.078 -6.648 -3.758 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.137 -5.284 -4.326 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.288 -6.130 -2.501 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.298 -3.187 -3.246 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.221 -4.728 -0.715 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.236 -1.779 -1.467 1.00 0.00 H new ATOM 0 HH TYR A 72 -8.794 -1.552 0.083 1.00 0.00 H new ATOM 1093 N LEU A 73 -7.372 -3.560 -6.579 1.00 0.00 N ATOM 1094 CA LEU A 73 -7.570 -2.214 -7.100 1.00 0.00 C ATOM 1095 C LEU A 73 -8.805 -2.152 -7.998 1.00 0.00 C ATOM 1096 O LEU A 73 -9.419 -1.100 -8.150 1.00 0.00 O ATOM 1097 CB LEU A 73 -6.341 -1.757 -7.890 1.00 0.00 C ATOM 1098 CG LEU A 73 -5.021 -1.776 -7.118 1.00 0.00 C ATOM 1099 CD1 LEU A 73 -3.864 -1.406 -8.031 1.00 0.00 C ATOM 1100 CD2 LEU A 73 -5.081 -0.830 -5.929 1.00 0.00 C ATOM 0 H LEU A 73 -6.489 -3.991 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.719 -1.548 -6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.238 -2.394 -8.769 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.518 -0.743 -8.250 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.858 -2.787 -6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.933 -1.425 -7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.804 -2.122 -8.851 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.024 -0.406 -8.434 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.132 -0.858 -5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.269 0.185 -6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.885 -1.137 -5.260 1.00 0.00 H new ATOM 1112 N LYS A 74 -9.165 -3.286 -8.591 1.00 0.00 N ATOM 1113 CA LYS A 74 -10.326 -3.351 -9.469 1.00 0.00 C ATOM 1114 C LYS A 74 -11.620 -3.306 -8.662 1.00 0.00 C ATOM 1115 O LYS A 74 -12.508 -2.505 -8.942 1.00 0.00 O ATOM 1116 CB LYS A 74 -10.293 -4.626 -10.324 1.00 0.00 C ATOM 1117 CG LYS A 74 -11.451 -4.727 -11.306 1.00 0.00 C ATOM 1118 CD LYS A 74 -11.512 -6.080 -12.011 1.00 0.00 C ATOM 1119 CE LYS A 74 -10.347 -6.294 -12.974 1.00 0.00 C ATOM 1120 NZ LYS A 74 -9.134 -6.831 -12.296 1.00 0.00 N ATOM 0 H LYS A 74 -8.670 -4.171 -8.479 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.292 -2.484 -10.128 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.354 -4.659 -10.877 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.307 -5.495 -9.667 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.388 -4.556 -10.775 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.359 -3.937 -12.052 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.512 -6.875 -11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.451 -6.158 -12.559 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.653 -6.983 -13.761 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.100 -5.348 -13.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.345 -6.165 -12.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.329 -6.955 -11.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.880 -7.749 -12.714 1.00 0.00 H new