USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 445 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 35 HIS : no HD1:sc= -1.44 K(o=-0.74,f=0.26) USER MOD Set 1.2: A 39 THR OG1 : rot 85:sc= 0.702 USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0434) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl -118:sc= -6.7! (180deg=-14.1!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.9!) USER MOD Single : A 25 TYR OH : rot -69:sc= -1.15 USER MOD Single : A 29 ASN : amide:sc= -0.457 K(o=-0.46,f=-1.2) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -140:sc= -3.74! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0654 K(o=-0.065,f=-1.9!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ALA A 5 -4.113 -11.105 1.417 1.00 0.00 N ATOM 48 CA ALA A 5 -3.313 -11.675 0.347 1.00 0.00 C ATOM 49 C ALA A 5 -3.504 -10.843 -0.923 1.00 0.00 C ATOM 50 O ALA A 5 -2.561 -10.645 -1.688 1.00 0.00 O ATOM 51 CB ALA A 5 -3.699 -13.142 0.146 1.00 0.00 C ATOM 0 HA ALA A 5 -2.254 -11.649 0.603 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.099 -13.569 -0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.519 -13.695 1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.755 -13.208 -0.116 1.00 0.00 H new ATOM 57 N GLU A 6 -4.731 -10.378 -1.109 1.00 0.00 N ATOM 58 CA GLU A 6 -5.057 -9.571 -2.274 1.00 0.00 C ATOM 59 C GLU A 6 -4.447 -8.175 -2.140 1.00 0.00 C ATOM 60 O GLU A 6 -3.960 -7.611 -3.118 1.00 0.00 O ATOM 61 CB GLU A 6 -6.571 -9.491 -2.478 1.00 0.00 C ATOM 62 CG GLU A 6 -6.943 -8.295 -3.355 1.00 0.00 C ATOM 63 CD GLU A 6 -8.061 -8.659 -4.335 1.00 0.00 C ATOM 64 OE1 GLU A 6 -7.745 -9.355 -5.324 1.00 0.00 O ATOM 65 OE2 GLU A 6 -9.207 -8.234 -4.072 1.00 0.00 O ATOM 0 H GLU A 6 -5.511 -10.544 -0.473 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.629 -10.049 -3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.928 -10.411 -2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.068 -9.406 -1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.262 -7.464 -2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.066 -7.958 -3.907 1.00 0.00 H new ATOM 70 N LEU A 7 -4.493 -7.658 -0.921 1.00 0.00 N ATOM 71 CA LEU A 7 -3.951 -6.338 -0.648 1.00 0.00 C ATOM 72 C LEU A 7 -2.445 -6.343 -0.921 1.00 0.00 C ATOM 73 O LEU A 7 -1.902 -5.372 -1.445 1.00 0.00 O ATOM 74 CB LEU A 7 -4.317 -5.891 0.769 1.00 0.00 C ATOM 75 CG LEU A 7 -5.762 -5.434 0.975 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.209 -4.503 -0.154 1.00 0.00 C ATOM 77 CD2 LEU A 7 -6.701 -6.632 1.134 1.00 0.00 C ATOM 0 H LEU A 7 -4.897 -8.129 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.394 -5.599 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.117 -6.716 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.654 -5.074 1.054 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.809 -4.863 1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.240 -4.193 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.565 -3.624 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.141 -5.028 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.722 -6.278 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.656 -7.251 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.395 -7.222 1.998 1.00 0.00 H new ATOM 88 N LYS A 8 -1.813 -7.448 -0.551 1.00 0.00 N ATOM 89 CA LYS A 8 -0.381 -7.593 -0.750 1.00 0.00 C ATOM 90 C LYS A 8 -0.069 -7.538 -2.247 1.00 0.00 C ATOM 91 O LYS A 8 0.914 -6.924 -2.658 1.00 0.00 O ATOM 92 CB LYS A 8 0.130 -8.860 -0.062 1.00 0.00 C ATOM 93 CG LYS A 8 1.201 -8.525 0.978 1.00 0.00 C ATOM 94 CD LYS A 8 1.091 -9.446 2.195 1.00 0.00 C ATOM 95 CE LYS A 8 -0.293 -9.340 2.840 1.00 0.00 C ATOM 96 NZ LYS A 8 -0.171 -9.159 4.302 1.00 0.00 N ATOM 0 H LYS A 8 -2.267 -8.251 -0.115 1.00 0.00 H new ATOM 0 HA LYS A 8 0.153 -6.766 -0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.700 -9.377 0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.541 -9.542 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.190 -8.624 0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.095 -7.487 1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.278 -10.477 1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.857 -9.184 2.925 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.839 -8.501 2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.870 -10.240 2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.114 -9.004 4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.255 -10.010 4.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.432 -8.336 4.501 1.00 0.00 H new ATOM 106 N GLN A 9 -0.927 -8.187 -3.021 1.00 0.00 N ATOM 107 CA GLN A 9 -0.755 -8.219 -4.464 1.00 0.00 C ATOM 108 C GLN A 9 -1.019 -6.836 -5.061 1.00 0.00 C ATOM 109 O GLN A 9 -0.292 -6.389 -5.947 1.00 0.00 O ATOM 110 CB GLN A 9 -1.664 -9.273 -5.100 1.00 0.00 C ATOM 111 CG GLN A 9 -1.915 -8.961 -6.577 1.00 0.00 C ATOM 112 CD GLN A 9 -1.915 -10.241 -7.415 1.00 0.00 C ATOM 113 OE1 GLN A 9 -0.882 -10.809 -7.727 1.00 0.00 O ATOM 114 NE2 GLN A 9 -3.128 -10.659 -7.763 1.00 0.00 N ATOM 0 H GLN A 9 -1.742 -8.694 -2.677 1.00 0.00 H new ATOM 0 HA GLN A 9 0.277 -8.496 -4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.207 -10.258 -5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.613 -9.310 -4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -2.871 -8.450 -6.687 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.146 -8.281 -6.945 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.952 -10.135 -7.468 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.235 -11.503 -8.325 1.00 0.00 H new ATOM 121 N MET A 10 -2.062 -6.195 -4.552 1.00 0.00 N ATOM 122 CA MET A 10 -2.431 -4.872 -5.024 1.00 0.00 C ATOM 123 C MET A 10 -1.415 -3.823 -4.566 1.00 0.00 C ATOM 124 O MET A 10 -0.986 -2.982 -5.355 1.00 0.00 O ATOM 125 CB MET A 10 -3.817 -4.507 -4.491 1.00 0.00 C ATOM 126 CG MET A 10 -4.892 -5.411 -5.096 1.00 0.00 C ATOM 127 SD MET A 10 -6.417 -5.242 -4.185 1.00 0.00 S ATOM 128 CE MET A 10 -6.639 -3.473 -4.278 1.00 0.00 C ATOM 0 H MET A 10 -2.663 -6.568 -3.817 1.00 0.00 H new ATOM 0 HA MET A 10 -2.444 -4.887 -6.114 1.00 0.00 H new ATOM 0 HB2 MET A 10 -3.829 -4.599 -3.405 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.038 -3.466 -4.725 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.053 -5.149 -6.142 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.560 -6.449 -5.075 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.622 -3.051 -3.273 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.834 -3.036 -4.869 1.00 0.00 H new ATOM 0 HE3 MET A 10 -7.597 -3.251 -4.748 1.00 0.00 H new ATOM 136 N VAL A 11 -1.059 -3.908 -3.292 1.00 0.00 N ATOM 137 CA VAL A 11 -0.102 -2.977 -2.719 1.00 0.00 C ATOM 138 C VAL A 11 1.238 -3.119 -3.443 1.00 0.00 C ATOM 139 O VAL A 11 1.937 -2.131 -3.660 1.00 0.00 O ATOM 140 CB VAL A 11 0.007 -3.203 -1.209 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.352 -2.702 -0.677 1.00 0.00 C ATOM 142 CG2 VAL A 11 -1.156 -2.541 -0.470 1.00 0.00 C ATOM 0 H VAL A 11 -1.416 -4.607 -2.641 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.438 -1.950 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.048 -4.276 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.405 -2.874 0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.162 -3.240 -1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.449 -1.635 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.054 -2.717 0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.147 -1.468 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.097 -2.965 -0.819 1.00 0.00 H new ATOM 152 N MET A 12 1.554 -4.356 -3.799 1.00 0.00 N ATOM 153 CA MET A 12 2.797 -4.639 -4.495 1.00 0.00 C ATOM 154 C MET A 12 2.808 -3.995 -5.883 1.00 0.00 C ATOM 155 O MET A 12 3.838 -3.975 -6.554 1.00 0.00 O ATOM 156 CB MET A 12 2.971 -6.153 -4.634 1.00 0.00 C ATOM 157 CG MET A 12 3.783 -6.720 -3.468 1.00 0.00 C ATOM 158 SD MET A 12 5.503 -6.849 -3.925 1.00 0.00 S ATOM 159 CE MET A 12 5.522 -8.503 -4.596 1.00 0.00 C ATOM 0 H MET A 12 0.971 -5.173 -3.618 1.00 0.00 H new ATOM 0 HA MET A 12 3.619 -4.221 -3.915 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.993 -6.633 -4.669 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.472 -6.380 -5.575 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.678 -6.077 -2.594 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.398 -7.701 -3.189 1.00 0.00 H new ATOM 0 HE1 MET A 12 6.530 -8.748 -4.932 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.214 -9.211 -3.827 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.834 -8.561 -5.440 1.00 0.00 H new ATOM 167 N SER A 13 1.649 -3.484 -6.272 1.00 0.00 N ATOM 168 CA SER A 13 1.512 -2.841 -7.568 1.00 0.00 C ATOM 169 C SER A 13 1.491 -1.321 -7.399 1.00 0.00 C ATOM 170 O SER A 13 1.283 -0.588 -8.364 1.00 0.00 O ATOM 171 CB SER A 13 0.245 -3.313 -8.286 1.00 0.00 C ATOM 172 OG SER A 13 0.380 -3.249 -9.703 1.00 0.00 O ATOM 0 H SER A 13 0.796 -3.502 -5.713 1.00 0.00 H new ATOM 0 HA SER A 13 2.370 -3.120 -8.180 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.020 -4.337 -7.989 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.599 -2.698 -7.974 1.00 0.00 H new ATOM 0 HG SER A 13 -0.448 -3.560 -10.125 1.00 0.00 H new ATOM 177 N LEU A 14 1.710 -0.892 -6.164 1.00 0.00 N ATOM 178 CA LEU A 14 1.719 0.528 -5.854 1.00 0.00 C ATOM 179 C LEU A 14 3.141 1.069 -6.010 1.00 0.00 C ATOM 180 O LEU A 14 4.112 0.351 -5.775 1.00 0.00 O ATOM 181 CB LEU A 14 1.112 0.779 -4.473 1.00 0.00 C ATOM 182 CG LEU A 14 -0.335 0.319 -4.283 1.00 0.00 C ATOM 183 CD1 LEU A 14 -0.765 0.454 -2.821 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.277 1.066 -5.229 1.00 0.00 C ATOM 0 H LEU A 14 1.883 -1.503 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 14 1.090 1.076 -6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.732 0.279 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.163 1.848 -4.264 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.394 -0.739 -4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.797 0.121 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.118 -0.159 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.687 1.497 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.299 0.720 -5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.222 2.136 -5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.983 0.875 -6.261 1.00 0.00 H new ATOM 195 N ARG A 15 3.220 2.332 -6.403 1.00 0.00 N ATOM 196 CA ARG A 15 4.507 2.979 -6.591 1.00 0.00 C ATOM 197 C ARG A 15 4.916 3.727 -5.321 1.00 0.00 C ATOM 198 O ARG A 15 4.150 3.792 -4.360 1.00 0.00 O ATOM 199 CB ARG A 15 4.463 3.962 -7.762 1.00 0.00 C ATOM 200 CG ARG A 15 4.386 3.222 -9.099 1.00 0.00 C ATOM 201 CD ARG A 15 5.778 3.046 -9.710 1.00 0.00 C ATOM 202 NE ARG A 15 6.358 4.369 -10.034 1.00 0.00 N ATOM 203 CZ ARG A 15 7.438 4.546 -10.807 1.00 0.00 C ATOM 204 NH1 ARG A 15 8.061 3.487 -11.341 1.00 0.00 N ATOM 205 NH2 ARG A 15 7.893 5.783 -11.047 1.00 0.00 N ATOM 0 H ARG A 15 2.413 2.925 -6.596 1.00 0.00 H new ATOM 0 HA ARG A 15 5.240 2.202 -6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.600 4.620 -7.657 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.350 4.595 -7.743 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.923 2.246 -8.952 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.750 3.776 -9.789 1.00 0.00 H new ATOM 0 HD2 ARG A 15 6.426 2.516 -9.012 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.714 2.437 -10.612 1.00 0.00 H new ATOM 0 HE ARG A 15 5.907 5.197 -9.645 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.713 2.546 -11.159 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.883 3.622 -11.929 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.417 6.589 -10.641 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.715 5.919 -11.635 1.00 0.00 H new ATOM 216 N VAL A 16 6.123 4.273 -5.356 1.00 0.00 N ATOM 217 CA VAL A 16 6.644 5.014 -4.220 1.00 0.00 C ATOM 218 C VAL A 16 5.656 6.122 -3.844 1.00 0.00 C ATOM 219 O VAL A 16 5.425 6.375 -2.663 1.00 0.00 O ATOM 220 CB VAL A 16 8.043 5.543 -4.537 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.631 6.290 -3.338 1.00 0.00 C ATOM 222 CG2 VAL A 16 8.969 4.411 -4.985 1.00 0.00 C ATOM 0 H VAL A 16 6.756 4.217 -6.154 1.00 0.00 H new ATOM 0 HA VAL A 16 6.747 4.362 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 16 7.955 6.250 -5.362 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.626 6.656 -3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.988 7.133 -3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.698 5.614 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.957 4.815 -5.204 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.048 3.669 -4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.562 3.941 -5.880 1.00 0.00 H new ATOM 232 N SER A 17 5.102 6.750 -4.870 1.00 0.00 N ATOM 233 CA SER A 17 4.146 7.824 -4.662 1.00 0.00 C ATOM 234 C SER A 17 2.914 7.293 -3.926 1.00 0.00 C ATOM 235 O SER A 17 2.377 7.960 -3.044 1.00 0.00 O ATOM 236 CB SER A 17 3.737 8.462 -5.991 1.00 0.00 C ATOM 237 OG SER A 17 4.105 9.837 -6.058 1.00 0.00 O ATOM 0 H SER A 17 5.297 6.536 -5.848 1.00 0.00 H new ATOM 0 HA SER A 17 4.622 8.592 -4.053 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.206 7.921 -6.813 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.659 8.368 -6.122 1.00 0.00 H new ATOM 0 HG SER A 17 3.828 10.208 -6.922 1.00 0.00 H new ATOM 242 N GLU A 18 2.502 6.095 -4.317 1.00 0.00 N ATOM 243 CA GLU A 18 1.344 5.467 -3.706 1.00 0.00 C ATOM 244 C GLU A 18 1.673 5.016 -2.281 1.00 0.00 C ATOM 245 O GLU A 18 0.882 5.222 -1.362 1.00 0.00 O ATOM 246 CB GLU A 18 0.847 4.292 -4.552 1.00 0.00 C ATOM 247 CG GLU A 18 0.089 4.785 -5.785 1.00 0.00 C ATOM 248 CD GLU A 18 1.037 4.979 -6.970 1.00 0.00 C ATOM 249 OE1 GLU A 18 1.941 5.831 -6.841 1.00 0.00 O ATOM 250 OE2 GLU A 18 0.836 4.268 -7.980 1.00 0.00 O ATOM 0 H GLU A 18 2.950 5.544 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 18 0.541 6.202 -3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.693 3.679 -4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.197 3.656 -3.951 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.688 4.068 -6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.411 5.726 -5.557 1.00 0.00 H new ATOM 255 N LEU A 19 2.843 4.409 -2.143 1.00 0.00 N ATOM 256 CA LEU A 19 3.287 3.929 -0.845 1.00 0.00 C ATOM 257 C LEU A 19 3.311 5.094 0.145 1.00 0.00 C ATOM 258 O LEU A 19 3.019 4.915 1.327 1.00 0.00 O ATOM 259 CB LEU A 19 4.628 3.203 -0.974 1.00 0.00 C ATOM 260 CG LEU A 19 4.558 1.727 -1.369 1.00 0.00 C ATOM 261 CD1 LEU A 19 3.621 0.955 -0.436 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.161 1.570 -2.838 1.00 0.00 C ATOM 0 H LEU A 19 3.496 4.239 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 19 2.587 3.192 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.233 3.728 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.152 3.279 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 19 5.553 1.296 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.588 -0.092 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.987 1.026 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.619 1.380 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.119 0.511 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.182 2.022 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.899 2.066 -3.469 1.00 0.00 H new ATOM 273 N GLN A 20 3.661 6.262 -0.373 1.00 0.00 N ATOM 274 CA GLN A 20 3.727 7.457 0.452 1.00 0.00 C ATOM 275 C GLN A 20 2.373 7.719 1.114 1.00 0.00 C ATOM 276 O GLN A 20 2.304 7.964 2.318 1.00 0.00 O ATOM 277 CB GLN A 20 4.180 8.666 -0.369 1.00 0.00 C ATOM 278 CG GLN A 20 5.678 8.595 -0.670 1.00 0.00 C ATOM 279 CD GLN A 20 6.356 9.939 -0.393 1.00 0.00 C ATOM 280 OE1 GLN A 20 5.782 10.845 0.187 1.00 0.00 O ATOM 281 NE2 GLN A 20 7.607 10.015 -0.840 1.00 0.00 N ATOM 0 H GLN A 20 3.902 6.407 -1.354 1.00 0.00 H new ATOM 0 HA GLN A 20 4.467 7.294 1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.619 8.706 -1.303 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.958 9.584 0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.139 7.818 -0.060 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.831 8.314 -1.712 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.027 9.218 -1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.146 10.870 -0.705 1.00 0.00 H new ATOM 288 N VAL A 21 1.330 7.660 0.299 1.00 0.00 N ATOM 289 CA VAL A 21 -0.018 7.889 0.791 1.00 0.00 C ATOM 290 C VAL A 21 -0.439 6.713 1.675 1.00 0.00 C ATOM 291 O VAL A 21 -1.121 6.901 2.681 1.00 0.00 O ATOM 292 CB VAL A 21 -0.970 8.126 -0.383 1.00 0.00 C ATOM 293 CG1 VAL A 21 -1.856 6.903 -0.625 1.00 0.00 C ATOM 294 CG2 VAL A 21 -1.816 9.380 -0.157 1.00 0.00 C ATOM 0 H VAL A 21 1.391 7.457 -0.699 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.053 8.788 1.407 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.367 8.285 -1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.523 7.098 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.230 6.040 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.447 6.699 0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.484 9.526 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.405 9.262 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.162 10.247 -0.056 1.00 0.00 H new ATOM 304 N LEU A 22 -0.016 5.525 1.267 1.00 0.00 N ATOM 305 CA LEU A 22 -0.341 4.319 2.009 1.00 0.00 C ATOM 306 C LEU A 22 0.185 4.448 3.439 1.00 0.00 C ATOM 307 O LEU A 22 -0.535 4.169 4.397 1.00 0.00 O ATOM 308 CB LEU A 22 0.175 3.081 1.274 1.00 0.00 C ATOM 309 CG LEU A 22 -0.891 2.110 0.763 1.00 0.00 C ATOM 310 CD1 LEU A 22 -1.289 1.112 1.853 1.00 0.00 C ATOM 311 CD2 LEU A 22 -2.100 2.865 0.209 1.00 0.00 C ATOM 0 H LEU A 22 0.549 5.372 0.432 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.422 4.194 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.774 3.411 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.842 2.538 1.943 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.465 1.537 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.048 0.433 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.413 0.540 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.690 1.651 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.843 2.151 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.537 3.480 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.784 3.502 -0.617 1.00 0.00 H new ATOM 322 N LEU A 23 1.436 4.872 3.540 1.00 0.00 N ATOM 323 CA LEU A 23 2.067 5.042 4.838 1.00 0.00 C ATOM 324 C LEU A 23 1.544 6.323 5.490 1.00 0.00 C ATOM 325 O LEU A 23 1.180 6.321 6.666 1.00 0.00 O ATOM 326 CB LEU A 23 3.590 4.998 4.703 1.00 0.00 C ATOM 327 CG LEU A 23 4.189 3.652 4.292 1.00 0.00 C ATOM 328 CD1 LEU A 23 5.633 3.521 4.780 1.00 0.00 C ATOM 329 CD2 LEU A 23 3.314 2.492 4.774 1.00 0.00 C ATOM 0 H LEU A 23 2.030 5.103 2.744 1.00 0.00 H new ATOM 0 HA LEU A 23 1.805 4.217 5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.891 5.746 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.028 5.292 5.657 1.00 0.00 H new ATOM 0 HG LEU A 23 4.212 3.608 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.034 2.555 4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.237 4.318 4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.658 3.596 5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.762 1.547 4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.236 2.522 5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.320 2.580 4.336 1.00 0.00 H new ATOM 340 N GLY A 24 1.522 7.386 4.701 1.00 0.00 N ATOM 341 CA GLY A 24 1.050 8.671 5.187 1.00 0.00 C ATOM 342 C GLY A 24 -0.371 8.558 5.743 1.00 0.00 C ATOM 343 O GLY A 24 -0.661 9.069 6.823 1.00 0.00 O ATOM 0 H GLY A 24 1.824 7.384 3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.720 9.039 5.964 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.071 9.400 4.377 1.00 0.00 H new ATOM 347 N TYR A 25 -1.219 7.886 4.979 1.00 0.00 N ATOM 348 CA TYR A 25 -2.603 7.699 5.382 1.00 0.00 C ATOM 349 C TYR A 25 -2.698 6.798 6.616 1.00 0.00 C ATOM 350 O TYR A 25 -3.722 6.778 7.296 1.00 0.00 O ATOM 351 CB TYR A 25 -3.295 7.008 4.206 1.00 0.00 C ATOM 352 CG TYR A 25 -4.803 6.827 4.390 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.594 7.912 4.708 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.372 5.579 4.238 1.00 0.00 C ATOM 355 CE1 TYR A 25 -7.014 7.741 4.882 1.00 0.00 C ATOM 356 CE2 TYR A 25 -6.792 5.408 4.411 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.542 6.499 4.725 1.00 0.00 C ATOM 358 OH TYR A 25 -8.883 6.338 4.890 1.00 0.00 O ATOM 0 H TYR A 25 -0.975 7.464 4.083 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.062 8.655 5.634 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.117 7.589 3.301 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.838 6.030 4.052 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.149 8.889 4.826 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.752 4.730 3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.645 8.581 5.132 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.250 4.437 4.294 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.114 6.463 5.834 1.00 0.00 H new ATOM 367 N ALA A 26 -1.617 6.073 6.864 1.00 0.00 N ATOM 368 CA ALA A 26 -1.566 5.173 8.003 1.00 0.00 C ATOM 369 C ALA A 26 -0.714 5.801 9.107 1.00 0.00 C ATOM 370 O ALA A 26 -0.611 5.254 10.204 1.00 0.00 O ATOM 371 CB ALA A 26 -1.029 3.812 7.554 1.00 0.00 C ATOM 0 H ALA A 26 -0.770 6.091 6.296 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.564 5.012 8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.990 3.136 8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.686 3.395 6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.027 3.934 7.142 1.00 0.00 H new ATOM 377 N GLY A 27 -0.123 6.941 8.778 1.00 0.00 N ATOM 378 CA GLY A 27 0.717 7.650 9.728 1.00 0.00 C ATOM 379 C GLY A 27 2.174 7.195 9.616 1.00 0.00 C ATOM 380 O GLY A 27 3.092 7.992 9.806 1.00 0.00 O ATOM 0 H GLY A 27 -0.210 7.391 7.867 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.652 8.723 9.547 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.354 7.475 10.741 1.00 0.00 H new ATOM 384 N ARG A 28 2.341 5.918 9.309 1.00 0.00 N ATOM 385 CA ARG A 28 3.670 5.348 9.171 1.00 0.00 C ATOM 386 C ARG A 28 4.568 6.288 8.362 1.00 0.00 C ATOM 387 O ARG A 28 4.077 7.098 7.578 1.00 0.00 O ATOM 388 CB ARG A 28 3.616 3.985 8.477 1.00 0.00 C ATOM 389 CG ARG A 28 3.352 2.867 9.488 1.00 0.00 C ATOM 390 CD ARG A 28 4.568 1.947 9.617 1.00 0.00 C ATOM 391 NE ARG A 28 4.454 1.125 10.841 1.00 0.00 N ATOM 392 CZ ARG A 28 4.586 1.606 12.085 1.00 0.00 C ATOM 393 NH1 ARG A 28 4.839 2.909 12.276 1.00 0.00 N ATOM 394 NH2 ARG A 28 4.466 0.786 13.138 1.00 0.00 N ATOM 0 H ARG A 28 1.577 5.261 9.152 1.00 0.00 H new ATOM 0 HA ARG A 28 4.081 5.217 10.172 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.832 3.989 7.720 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.557 3.798 7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.114 3.299 10.460 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.484 2.287 9.176 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.640 1.302 8.741 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.481 2.541 9.652 1.00 0.00 H new ATOM 0 HE ARG A 28 4.263 0.129 10.732 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.931 3.533 11.475 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.940 3.276 13.223 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.274 -0.205 12.993 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.567 1.153 14.084 1.00 0.00 H new ATOM 405 N ASN A 29 5.867 6.147 8.582 1.00 0.00 N ATOM 406 CA ASN A 29 6.837 6.974 7.884 1.00 0.00 C ATOM 407 C ASN A 29 7.068 6.407 6.482 1.00 0.00 C ATOM 408 O ASN A 29 7.049 5.193 6.289 1.00 0.00 O ATOM 409 CB ASN A 29 8.180 6.983 8.618 1.00 0.00 C ATOM 410 CG ASN A 29 9.230 7.771 7.830 1.00 0.00 C ATOM 411 OD1 ASN A 29 10.038 7.221 7.101 1.00 0.00 O ATOM 412 ND2 ASN A 29 9.170 9.086 8.016 1.00 0.00 N ATOM 0 H ASN A 29 6.270 5.473 9.233 1.00 0.00 H new ATOM 0 HA ASN A 29 6.444 7.990 7.837 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.055 7.424 9.607 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.524 5.960 8.767 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.826 9.700 7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.468 9.481 8.641 1.00 0.00 H new ATOM 418 N LYS A 30 7.281 7.315 5.540 1.00 0.00 N ATOM 419 CA LYS A 30 7.515 6.920 4.162 1.00 0.00 C ATOM 420 C LYS A 30 8.874 7.456 3.706 1.00 0.00 C ATOM 421 O LYS A 30 9.771 7.657 4.523 1.00 0.00 O ATOM 422 CB LYS A 30 6.350 7.362 3.272 1.00 0.00 C ATOM 423 CG LYS A 30 6.321 8.885 3.124 1.00 0.00 C ATOM 424 CD LYS A 30 5.043 9.471 3.727 1.00 0.00 C ATOM 425 CE LYS A 30 5.131 10.995 3.825 1.00 0.00 C ATOM 426 NZ LYS A 30 3.874 11.618 3.353 1.00 0.00 N ATOM 0 H LYS A 30 7.296 8.322 5.704 1.00 0.00 H new ATOM 0 HA LYS A 30 7.555 5.834 4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.442 6.899 2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.409 7.017 3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.191 9.318 3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.385 9.153 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.186 9.191 3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.877 9.048 4.718 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.324 11.288 4.857 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.969 11.356 3.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.951 12.653 3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.706 11.353 2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.081 11.287 3.939 1.00 0.00 H new ATOM 436 N HIS A 31 8.983 7.673 2.403 1.00 0.00 N ATOM 437 CA HIS A 31 10.217 8.180 1.830 1.00 0.00 C ATOM 438 C HIS A 31 11.280 7.080 1.842 1.00 0.00 C ATOM 439 O HIS A 31 11.694 6.624 2.908 1.00 0.00 O ATOM 440 CB HIS A 31 10.669 9.450 2.553 1.00 0.00 C ATOM 441 CG HIS A 31 10.838 10.647 1.647 1.00 0.00 C ATOM 442 ND1 HIS A 31 11.859 10.746 0.718 1.00 0.00 N ATOM 443 CD2 HIS A 31 10.105 11.792 1.536 1.00 0.00 C ATOM 444 CE1 HIS A 31 11.737 11.903 0.084 1.00 0.00 C ATOM 445 NE2 HIS A 31 10.648 12.549 0.593 1.00 0.00 N ATOM 0 H HIS A 31 8.236 7.507 1.728 1.00 0.00 H new ATOM 0 HA HIS A 31 10.050 8.463 0.791 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.941 9.693 3.327 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.615 9.252 3.056 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.230 12.040 2.118 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.385 12.270 -0.698 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.308 13.464 0.297 1.00 0.00 H new ATOM 452 N GLY A 32 11.692 6.686 0.646 1.00 0.00 N ATOM 453 CA GLY A 32 12.699 5.649 0.506 1.00 0.00 C ATOM 454 C GLY A 32 12.434 4.791 -0.733 1.00 0.00 C ATOM 455 O GLY A 32 11.661 5.180 -1.608 1.00 0.00 O ATOM 0 H GLY A 32 11.346 7.067 -0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.687 6.104 0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.703 5.019 1.395 1.00 0.00 H new ATOM 459 N ARG A 33 13.088 3.640 -0.768 1.00 0.00 N ATOM 460 CA ARG A 33 12.933 2.724 -1.885 1.00 0.00 C ATOM 461 C ARG A 33 11.547 2.077 -1.852 1.00 0.00 C ATOM 462 O ARG A 33 10.867 2.111 -0.828 1.00 0.00 O ATOM 463 CB ARG A 33 14.000 1.628 -1.851 1.00 0.00 C ATOM 464 CG ARG A 33 15.162 1.966 -2.788 1.00 0.00 C ATOM 465 CD ARG A 33 16.481 2.052 -2.017 1.00 0.00 C ATOM 466 NE ARG A 33 17.249 3.238 -2.458 1.00 0.00 N ATOM 467 CZ ARG A 33 18.550 3.429 -2.198 1.00 0.00 C ATOM 468 NH1 ARG A 33 19.235 2.516 -1.497 1.00 0.00 N ATOM 469 NH2 ARG A 33 19.165 4.535 -2.638 1.00 0.00 N ATOM 0 H ARG A 33 13.727 3.320 -0.040 1.00 0.00 H new ATOM 0 HA ARG A 33 13.048 3.299 -2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.372 1.508 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.558 0.675 -2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.240 1.206 -3.565 1.00 0.00 H new ATOM 0 HG3 ARG A 33 14.966 2.915 -3.288 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.283 2.114 -0.947 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.067 1.148 -2.181 1.00 0.00 H new ATOM 0 HE ARG A 33 16.758 3.954 -2.993 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.767 1.675 -1.161 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.225 2.662 -1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 33 18.643 5.231 -3.170 1.00 0.00 H new ATOM 0 HH22 ARG A 33 20.155 4.681 -2.440 1.00 0.00 H new ATOM 480 N LYS A 34 11.170 1.504 -2.986 1.00 0.00 N ATOM 481 CA LYS A 34 9.877 0.851 -3.099 1.00 0.00 C ATOM 482 C LYS A 34 9.864 -0.402 -2.221 1.00 0.00 C ATOM 483 O LYS A 34 8.900 -0.646 -1.496 1.00 0.00 O ATOM 484 CB LYS A 34 9.543 0.576 -4.568 1.00 0.00 C ATOM 485 CG LYS A 34 8.086 0.136 -4.725 1.00 0.00 C ATOM 486 CD LYS A 34 7.895 -0.678 -6.006 1.00 0.00 C ATOM 487 CE LYS A 34 8.098 -2.172 -5.742 1.00 0.00 C ATOM 488 NZ LYS A 34 7.878 -2.952 -6.980 1.00 0.00 N ATOM 0 H LYS A 34 11.737 1.479 -3.834 1.00 0.00 H new ATOM 0 HA LYS A 34 9.086 1.506 -2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.721 1.474 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.205 -0.198 -4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.787 -0.460 -3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.438 1.012 -4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.894 -0.508 -6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.601 -0.340 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.107 -2.348 -5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.409 -2.507 -4.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.020 -3.963 -6.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.907 -2.798 -7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.552 -2.644 -7.709 1.00 0.00 H new ATOM 498 N HIS A 35 10.944 -1.162 -2.314 1.00 0.00 N ATOM 499 CA HIS A 35 11.069 -2.383 -1.537 1.00 0.00 C ATOM 500 C HIS A 35 10.953 -2.057 -0.046 1.00 0.00 C ATOM 501 O HIS A 35 10.264 -2.757 0.694 1.00 0.00 O ATOM 502 CB HIS A 35 12.366 -3.118 -1.883 1.00 0.00 C ATOM 503 CG HIS A 35 12.616 -4.351 -1.047 1.00 0.00 C ATOM 504 ND1 HIS A 35 12.854 -5.596 -1.600 1.00 0.00 N ATOM 505 CD2 HIS A 35 12.664 -4.515 0.306 1.00 0.00 C ATOM 506 CE1 HIS A 35 13.035 -6.464 -0.615 1.00 0.00 C ATOM 507 NE2 HIS A 35 12.916 -5.791 0.565 1.00 0.00 N ATOM 0 H HIS A 35 11.741 -0.956 -2.916 1.00 0.00 H new ATOM 0 HA HIS A 35 10.256 -3.063 -1.790 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.340 -3.404 -2.935 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.204 -2.432 -1.760 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.521 -3.738 1.042 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.240 -7.518 -0.727 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.006 -6.202 1.494 1.00 0.00 H new ATOM 514 N GLU A 36 11.638 -0.994 0.349 1.00 0.00 N ATOM 515 CA GLU A 36 11.619 -0.566 1.737 1.00 0.00 C ATOM 516 C GLU A 36 10.212 -0.121 2.138 1.00 0.00 C ATOM 517 O GLU A 36 9.730 -0.469 3.215 1.00 0.00 O ATOM 518 CB GLU A 36 12.638 0.551 1.980 1.00 0.00 C ATOM 519 CG GLU A 36 14.068 0.014 1.905 1.00 0.00 C ATOM 520 CD GLU A 36 14.771 0.135 3.258 1.00 0.00 C ATOM 521 OE1 GLU A 36 14.431 1.088 3.992 1.00 0.00 O ATOM 522 OE2 GLU A 36 15.634 -0.729 3.530 1.00 0.00 O ATOM 0 H GLU A 36 12.209 -0.417 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 36 11.901 -1.414 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.502 1.339 1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.465 1.000 2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.052 -1.030 1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.628 0.565 1.150 1.00 0.00 H new ATOM 527 N LEU A 37 9.592 0.641 1.250 1.00 0.00 N ATOM 528 CA LEU A 37 8.249 1.138 1.496 1.00 0.00 C ATOM 529 C LEU A 37 7.265 -0.034 1.475 1.00 0.00 C ATOM 530 O LEU A 37 6.378 -0.119 2.323 1.00 0.00 O ATOM 531 CB LEU A 37 7.898 2.252 0.509 1.00 0.00 C ATOM 532 CG LEU A 37 8.490 3.630 0.815 1.00 0.00 C ATOM 533 CD1 LEU A 37 8.632 4.462 -0.461 1.00 0.00 C ATOM 534 CD2 LEU A 37 7.669 4.355 1.884 1.00 0.00 C ATOM 0 H LEU A 37 9.995 0.927 0.358 1.00 0.00 H new ATOM 0 HA LEU A 37 8.187 1.591 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.229 1.948 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.813 2.346 0.468 1.00 0.00 H new ATOM 0 HG LEU A 37 9.492 3.488 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.055 5.436 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.291 3.947 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.652 4.597 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.111 5.331 2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.646 4.485 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.664 3.766 2.801 1.00 0.00 H new ATOM 545 N LEU A 38 7.456 -0.908 0.497 1.00 0.00 N ATOM 546 CA LEU A 38 6.596 -2.071 0.355 1.00 0.00 C ATOM 547 C LEU A 38 6.660 -2.906 1.634 1.00 0.00 C ATOM 548 O LEU A 38 5.632 -3.365 2.132 1.00 0.00 O ATOM 549 CB LEU A 38 6.959 -2.852 -0.909 1.00 0.00 C ATOM 550 CG LEU A 38 6.053 -2.628 -2.121 1.00 0.00 C ATOM 551 CD1 LEU A 38 4.700 -3.315 -1.928 1.00 0.00 C ATOM 552 CD2 LEU A 38 5.900 -1.135 -2.421 1.00 0.00 C ATOM 0 H LEU A 38 8.193 -0.834 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 38 5.558 -1.765 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.980 -2.593 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.954 -3.915 -0.669 1.00 0.00 H new ATOM 0 HG LEU A 38 6.525 -3.085 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.075 -3.140 -2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.851 -4.387 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.208 -2.908 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.251 -1.002 -3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.461 -0.634 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.879 -0.704 -2.632 1.00 0.00 H new ATOM 563 N THR A 39 7.876 -3.079 2.132 1.00 0.00 N ATOM 564 CA THR A 39 8.086 -3.852 3.344 1.00 0.00 C ATOM 565 C THR A 39 7.315 -3.232 4.512 1.00 0.00 C ATOM 566 O THR A 39 6.761 -3.948 5.343 1.00 0.00 O ATOM 567 CB THR A 39 9.593 -3.942 3.591 1.00 0.00 C ATOM 568 OG1 THR A 39 10.054 -4.854 2.597 1.00 0.00 O ATOM 569 CG2 THR A 39 9.929 -4.633 4.915 1.00 0.00 C ATOM 0 H THR A 39 8.726 -2.697 1.718 1.00 0.00 H new ATOM 0 HA THR A 39 7.697 -4.865 3.240 1.00 0.00 H new ATOM 0 HB THR A 39 10.022 -2.940 3.585 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.221 -4.370 1.761 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.011 -4.671 5.041 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.487 -4.074 5.740 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.529 -5.647 4.908 1.00 0.00 H new ATOM 577 N LYS A 40 7.304 -1.908 4.535 1.00 0.00 N ATOM 578 CA LYS A 40 6.610 -1.183 5.587 1.00 0.00 C ATOM 579 C LYS A 40 5.101 -1.312 5.378 1.00 0.00 C ATOM 580 O LYS A 40 4.346 -1.440 6.340 1.00 0.00 O ATOM 581 CB LYS A 40 7.101 0.264 5.654 1.00 0.00 C ATOM 582 CG LYS A 40 8.307 0.392 6.587 1.00 0.00 C ATOM 583 CD LYS A 40 8.768 1.847 6.691 1.00 0.00 C ATOM 584 CE LYS A 40 9.831 2.162 5.636 1.00 0.00 C ATOM 585 NZ LYS A 40 10.673 3.297 6.073 1.00 0.00 N ATOM 0 H LYS A 40 7.764 -1.318 3.842 1.00 0.00 H new ATOM 0 HA LYS A 40 6.835 -1.616 6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.372 0.606 4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.295 0.909 6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.047 0.018 7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.125 -0.227 6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.915 2.513 6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.171 2.034 7.686 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.454 1.284 5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.351 2.402 4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.389 3.498 5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.077 4.138 6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.146 3.054 6.967 1.00 0.00 H new ATOM 595 N ALA A 41 4.705 -1.274 4.113 1.00 0.00 N ATOM 596 CA ALA A 41 3.299 -1.385 3.766 1.00 0.00 C ATOM 597 C ALA A 41 2.811 -2.801 4.075 1.00 0.00 C ATOM 598 O ALA A 41 1.709 -2.984 4.590 1.00 0.00 O ATOM 599 CB ALA A 41 3.105 -1.010 2.296 1.00 0.00 C ATOM 0 H ALA A 41 5.334 -1.168 3.317 1.00 0.00 H new ATOM 0 HA ALA A 41 2.702 -0.694 4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.050 -1.093 2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.439 0.015 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.688 -1.684 1.669 1.00 0.00 H new ATOM 605 N LEU A 42 3.656 -3.768 3.749 1.00 0.00 N ATOM 606 CA LEU A 42 3.326 -5.163 3.985 1.00 0.00 C ATOM 607 C LEU A 42 3.245 -5.415 5.492 1.00 0.00 C ATOM 608 O LEU A 42 2.322 -6.076 5.966 1.00 0.00 O ATOM 609 CB LEU A 42 4.314 -6.079 3.261 1.00 0.00 C ATOM 610 CG LEU A 42 4.306 -5.998 1.733 1.00 0.00 C ATOM 611 CD1 LEU A 42 4.484 -7.384 1.110 1.00 0.00 C ATOM 612 CD2 LEU A 42 3.041 -5.300 1.227 1.00 0.00 C ATOM 0 H LEU A 42 4.570 -3.613 3.323 1.00 0.00 H new ATOM 0 HA LEU A 42 2.347 -5.398 3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.319 -5.846 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.105 -7.108 3.552 1.00 0.00 H new ATOM 0 HG LEU A 42 5.156 -5.392 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.475 -7.298 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.435 -7.808 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.669 -8.034 1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.061 -5.256 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.163 -5.858 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.998 -4.288 1.630 1.00 0.00 H new ATOM 623 N HIS A 43 4.223 -4.875 6.204 1.00 0.00 N ATOM 624 CA HIS A 43 4.275 -5.033 7.648 1.00 0.00 C ATOM 625 C HIS A 43 3.046 -4.377 8.280 1.00 0.00 C ATOM 626 O HIS A 43 2.588 -4.801 9.339 1.00 0.00 O ATOM 627 CB HIS A 43 5.591 -4.489 8.206 1.00 0.00 C ATOM 628 CG HIS A 43 6.065 -5.193 9.455 1.00 0.00 C ATOM 629 ND1 HIS A 43 5.827 -4.705 10.728 1.00 0.00 N ATOM 630 CD2 HIS A 43 6.765 -6.353 9.613 1.00 0.00 C ATOM 631 CE1 HIS A 43 6.364 -5.541 11.605 1.00 0.00 C ATOM 632 NE2 HIS A 43 6.946 -6.561 10.912 1.00 0.00 N ATOM 0 H HIS A 43 4.987 -4.327 5.808 1.00 0.00 H new ATOM 0 HA HIS A 43 4.250 -6.092 7.904 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.361 -4.573 7.439 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.471 -3.428 8.423 1.00 0.00 H new ATOM 0 HD2 HIS A 43 7.113 -6.994 8.816 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.344 -5.433 12.679 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.439 -7.353 11.324 1.00 0.00 H new ATOM 639 N LEU A 44 2.547 -3.354 7.602 1.00 0.00 N ATOM 640 CA LEU A 44 1.380 -2.636 8.084 1.00 0.00 C ATOM 641 C LEU A 44 0.174 -3.579 8.095 1.00 0.00 C ATOM 642 O LEU A 44 -0.694 -3.471 8.960 1.00 0.00 O ATOM 643 CB LEU A 44 1.157 -1.363 7.265 1.00 0.00 C ATOM 644 CG LEU A 44 1.448 -0.044 7.983 1.00 0.00 C ATOM 645 CD1 LEU A 44 0.918 1.145 7.179 1.00 0.00 C ATOM 646 CD2 LEU A 44 0.898 -0.063 9.410 1.00 0.00 C ATOM 0 H LEU A 44 2.930 -3.006 6.723 1.00 0.00 H new ATOM 0 HA LEU A 44 1.535 -2.304 9.110 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.782 -1.414 6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.121 -1.349 6.927 1.00 0.00 H new ATOM 0 HG LEU A 44 2.529 0.074 8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.137 2.071 7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.398 1.166 6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.160 1.047 7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.119 0.887 9.898 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.181 -0.214 9.382 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.364 -0.875 9.969 1.00 0.00 H new ATOM 657 N LEU A 45 0.161 -4.481 7.126 1.00 0.00 N ATOM 658 CA LEU A 45 -0.924 -5.442 7.013 1.00 0.00 C ATOM 659 C LEU A 45 -0.884 -6.392 8.212 1.00 0.00 C ATOM 660 O LEU A 45 -1.916 -6.677 8.816 1.00 0.00 O ATOM 661 CB LEU A 45 -0.869 -6.156 5.660 1.00 0.00 C ATOM 662 CG LEU A 45 -1.408 -5.369 4.464 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.393 -5.345 3.321 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.765 -5.916 4.016 1.00 0.00 C ATOM 0 H LEU A 45 0.884 -4.568 6.412 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.888 -4.934 7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.167 -6.425 5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.430 -7.087 5.740 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.564 -4.336 4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.801 -4.779 2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.528 -4.873 3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.181 -6.365 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.127 -5.339 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.658 -6.962 3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.478 -5.837 4.837 1.00 0.00 H new ATOM 675 N LYS A 46 0.319 -6.855 8.519 1.00 0.00 N ATOM 676 CA LYS A 46 0.506 -7.767 9.635 1.00 0.00 C ATOM 677 C LYS A 46 0.461 -6.979 10.945 1.00 0.00 C ATOM 678 O LYS A 46 0.119 -7.527 11.992 1.00 0.00 O ATOM 679 CB LYS A 46 1.788 -8.582 9.452 1.00 0.00 C ATOM 680 CG LYS A 46 2.039 -9.489 10.658 1.00 0.00 C ATOM 681 CD LYS A 46 2.975 -10.642 10.290 1.00 0.00 C ATOM 682 CE LYS A 46 4.401 -10.138 10.060 1.00 0.00 C ATOM 683 NZ LYS A 46 5.375 -10.996 10.770 1.00 0.00 N ATOM 0 H LYS A 46 1.173 -6.616 8.015 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.305 -8.495 9.672 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.713 -9.186 8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.635 -7.909 9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.474 -8.908 11.471 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.092 -9.887 11.022 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.972 -11.386 11.087 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.611 -11.138 9.390 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.623 -10.132 8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.490 -9.110 10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.338 -10.640 10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.172 -10.981 11.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.301 -11.971 10.417 1.00 0.00 H new ATOM 693 N ALA A 47 0.811 -5.705 10.845 1.00 0.00 N ATOM 694 CA ALA A 47 0.815 -4.836 12.010 1.00 0.00 C ATOM 695 C ALA A 47 -0.587 -4.256 12.212 1.00 0.00 C ATOM 696 O ALA A 47 -0.781 -3.370 13.042 1.00 0.00 O ATOM 697 CB ALA A 47 1.876 -3.748 11.831 1.00 0.00 C ATOM 0 H ALA A 47 1.094 -5.254 9.975 1.00 0.00 H new ATOM 0 HA ALA A 47 1.072 -5.398 12.908 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.879 -3.096 12.704 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.857 -4.211 11.720 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.649 -3.161 10.941 1.00 0.00 H new ATOM 703 N GLY A 48 -1.526 -4.779 11.439 1.00 0.00 N ATOM 704 CA GLY A 48 -2.904 -4.324 11.523 1.00 0.00 C ATOM 705 C GLY A 48 -3.084 -2.986 10.805 1.00 0.00 C ATOM 706 O GLY A 48 -2.420 -2.005 11.137 1.00 0.00 O ATOM 0 H GLY A 48 -1.361 -5.514 10.751 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.565 -5.070 11.081 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.194 -4.221 12.569 1.00 0.00 H new ATOM 710 N CYS A 49 -3.987 -2.988 9.834 1.00 0.00 N ATOM 711 CA CYS A 49 -4.263 -1.786 9.067 1.00 0.00 C ATOM 712 C CYS A 49 -5.766 -1.729 8.786 1.00 0.00 C ATOM 713 O CYS A 49 -6.313 -2.618 8.135 1.00 0.00 O ATOM 714 CB CYS A 49 -3.439 -1.736 7.777 1.00 0.00 C ATOM 715 SG CYS A 49 -2.203 -0.390 7.877 1.00 0.00 S ATOM 0 H CYS A 49 -4.536 -3.803 9.562 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.969 -0.909 9.643 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.937 -2.691 7.619 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.096 -1.575 6.922 1.00 0.00 H new ATOM 0 HG CYS A 49 -2.122 0.211 6.727 1.00 0.00 H new ATOM 720 N SER A 50 -6.390 -0.676 9.293 1.00 0.00 N ATOM 721 CA SER A 50 -7.819 -0.492 9.105 1.00 0.00 C ATOM 722 C SER A 50 -8.198 -0.786 7.652 1.00 0.00 C ATOM 723 O SER A 50 -7.335 -0.820 6.776 1.00 0.00 O ATOM 724 CB SER A 50 -8.247 0.926 9.488 1.00 0.00 C ATOM 725 OG SER A 50 -8.889 0.964 10.759 1.00 0.00 O ATOM 0 H SER A 50 -5.933 0.058 9.834 1.00 0.00 H new ATOM 0 HA SER A 50 -8.342 -1.190 9.759 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.373 1.577 9.504 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.923 1.318 8.728 1.00 0.00 H new ATOM 0 HG SER A 50 -9.146 1.886 10.968 1.00 0.00 H new ATOM 730 N PRO A 51 -9.525 -0.996 7.435 1.00 0.00 N ATOM 731 CA PRO A 51 -10.028 -1.286 6.103 1.00 0.00 C ATOM 732 C PRO A 51 -10.051 -0.023 5.239 1.00 0.00 C ATOM 733 O PRO A 51 -10.287 -0.096 4.034 1.00 0.00 O ATOM 734 CB PRO A 51 -11.410 -1.878 6.325 1.00 0.00 C ATOM 735 CG PRO A 51 -11.816 -1.471 7.732 1.00 0.00 C ATOM 736 CD PRO A 51 -10.575 -0.962 8.448 1.00 0.00 C ATOM 0 HA PRO A 51 -9.393 -1.983 5.556 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.120 -1.500 5.589 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.391 -2.963 6.222 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.582 -0.696 7.699 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.244 -2.319 8.266 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.724 0.048 8.830 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.323 -1.592 9.301 1.00 0.00 H new ATOM 741 N ALA A 52 -9.804 1.105 5.888 1.00 0.00 N ATOM 742 CA ALA A 52 -9.792 2.381 5.194 1.00 0.00 C ATOM 743 C ALA A 52 -8.606 2.423 4.230 1.00 0.00 C ATOM 744 O ALA A 52 -8.729 2.911 3.108 1.00 0.00 O ATOM 745 CB ALA A 52 -9.753 3.519 6.217 1.00 0.00 C ATOM 0 H ALA A 52 -9.610 1.162 6.888 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.700 2.504 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.744 4.476 5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.633 3.463 6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.854 3.429 6.827 1.00 0.00 H new ATOM 751 N VAL A 53 -7.481 1.904 4.703 1.00 0.00 N ATOM 752 CA VAL A 53 -6.273 1.876 3.897 1.00 0.00 C ATOM 753 C VAL A 53 -6.445 0.864 2.763 1.00 0.00 C ATOM 754 O VAL A 53 -5.954 1.077 1.655 1.00 0.00 O ATOM 755 CB VAL A 53 -5.060 1.583 4.782 1.00 0.00 C ATOM 756 CG1 VAL A 53 -3.758 1.953 4.070 1.00 0.00 C ATOM 757 CG2 VAL A 53 -5.174 2.304 6.126 1.00 0.00 C ATOM 0 H VAL A 53 -7.382 1.500 5.634 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.096 2.849 3.439 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.041 0.511 4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.912 1.734 4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.668 1.373 3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.765 3.016 3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.299 2.078 6.735 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.232 3.379 5.958 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.073 1.969 6.644 1.00 0.00 H new ATOM 767 N GLN A 54 -7.144 -0.217 3.079 1.00 0.00 N ATOM 768 CA GLN A 54 -7.386 -1.264 2.101 1.00 0.00 C ATOM 769 C GLN A 54 -8.149 -0.700 0.899 1.00 0.00 C ATOM 770 O GLN A 54 -7.896 -1.091 -0.239 1.00 0.00 O ATOM 771 CB GLN A 54 -8.141 -2.437 2.728 1.00 0.00 C ATOM 772 CG GLN A 54 -7.348 -3.041 3.888 1.00 0.00 C ATOM 773 CD GLN A 54 -7.817 -4.466 4.190 1.00 0.00 C ATOM 774 OE1 GLN A 54 -8.582 -5.064 3.451 1.00 0.00 O ATOM 775 NE2 GLN A 54 -7.317 -4.974 5.312 1.00 0.00 N ATOM 0 H GLN A 54 -7.550 -0.390 3.998 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.424 -1.639 1.753 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.114 -2.099 3.085 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.326 -3.201 1.973 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.286 -3.048 3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.466 -2.420 4.776 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.681 -4.418 5.884 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.569 -5.919 5.600 1.00 0.00 H new ATOM 782 N MET A 55 -9.068 0.208 1.195 1.00 0.00 N ATOM 783 CA MET A 55 -9.868 0.829 0.153 1.00 0.00 C ATOM 784 C MET A 55 -9.004 1.711 -0.751 1.00 0.00 C ATOM 785 O MET A 55 -9.204 1.746 -1.964 1.00 0.00 O ATOM 786 CB MET A 55 -10.969 1.677 0.794 1.00 0.00 C ATOM 787 CG MET A 55 -12.002 0.794 1.497 1.00 0.00 C ATOM 788 SD MET A 55 -13.131 0.101 0.301 1.00 0.00 S ATOM 789 CE MET A 55 -14.235 -0.781 1.392 1.00 0.00 C ATOM 0 H MET A 55 -9.276 0.528 2.141 1.00 0.00 H new ATOM 0 HA MET A 55 -10.311 0.042 -0.457 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.529 2.369 1.512 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.460 2.280 0.030 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.499 -0.006 2.040 1.00 0.00 H new ATOM 0 HG3 MET A 55 -12.553 1.380 2.232 1.00 0.00 H new ATOM 0 HE1 MET A 55 -15.008 -1.276 0.805 1.00 0.00 H new ATOM 0 HE2 MET A 55 -13.672 -1.527 1.954 1.00 0.00 H new ATOM 0 HE3 MET A 55 -14.700 -0.079 2.085 1.00 0.00 H new ATOM 797 N LYS A 56 -8.063 2.402 -0.124 1.00 0.00 N ATOM 798 CA LYS A 56 -7.168 3.281 -0.857 1.00 0.00 C ATOM 799 C LYS A 56 -6.296 2.446 -1.797 1.00 0.00 C ATOM 800 O LYS A 56 -5.875 2.926 -2.849 1.00 0.00 O ATOM 801 CB LYS A 56 -6.367 4.156 0.109 1.00 0.00 C ATOM 802 CG LYS A 56 -5.871 5.426 -0.584 1.00 0.00 C ATOM 803 CD LYS A 56 -7.005 6.442 -0.745 1.00 0.00 C ATOM 804 CE LYS A 56 -7.172 7.283 0.522 1.00 0.00 C ATOM 805 NZ LYS A 56 -6.917 8.711 0.232 1.00 0.00 N ATOM 0 H LYS A 56 -7.901 2.371 0.883 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.738 3.971 -1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.988 4.423 0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.517 3.593 0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.061 5.868 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.462 5.174 -1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.796 7.094 -1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.937 5.921 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.180 7.160 0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.484 6.933 1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.034 9.268 1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.946 8.825 -0.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.591 9.045 -0.487 1.00 0.00 H new ATOM 815 N ILE A 57 -6.051 1.212 -1.385 1.00 0.00 N ATOM 816 CA ILE A 57 -5.237 0.306 -2.177 1.00 0.00 C ATOM 817 C ILE A 57 -5.962 -0.012 -3.486 1.00 0.00 C ATOM 818 O ILE A 57 -5.332 -0.145 -4.534 1.00 0.00 O ATOM 819 CB ILE A 57 -4.868 -0.935 -1.362 1.00 0.00 C ATOM 820 CG1 ILE A 57 -4.025 -0.558 -0.142 1.00 0.00 C ATOM 821 CG2 ILE A 57 -4.173 -1.980 -2.238 1.00 0.00 C ATOM 822 CD1 ILE A 57 -4.079 -1.657 0.923 1.00 0.00 C ATOM 0 H ILE A 57 -6.402 0.817 -0.512 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.291 0.778 -2.442 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.788 -1.387 -0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.992 -0.392 -0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.387 0.380 0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.921 -2.852 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.840 -2.279 -3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.262 -1.555 -2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.472 -1.364 1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.111 -1.803 1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.693 -2.587 0.506 1.00 0.00 H new ATOM 833 N LYS A 58 -7.278 -0.125 -3.384 1.00 0.00 N ATOM 834 CA LYS A 58 -8.098 -0.426 -4.546 1.00 0.00 C ATOM 835 C LYS A 58 -8.106 0.783 -5.484 1.00 0.00 C ATOM 836 O LYS A 58 -7.999 0.632 -6.700 1.00 0.00 O ATOM 837 CB LYS A 58 -9.493 -0.881 -4.116 1.00 0.00 C ATOM 838 CG LYS A 58 -9.416 -2.133 -3.239 1.00 0.00 C ATOM 839 CD LYS A 58 -10.426 -2.062 -2.092 1.00 0.00 C ATOM 840 CE LYS A 58 -11.279 -3.330 -2.034 1.00 0.00 C ATOM 841 NZ LYS A 58 -12.681 -3.029 -2.403 1.00 0.00 N ATOM 0 H LYS A 58 -7.798 -0.013 -2.513 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.676 -1.261 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.988 -0.079 -3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.100 -1.087 -4.998 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.610 -3.018 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.409 -2.237 -2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.900 -1.930 -1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.070 -1.192 -2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.872 -4.081 -2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.244 -3.754 -1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.246 -3.901 -2.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.072 -2.329 -1.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.711 -2.646 -3.369 1.00 0.00 H new ATOM 851 N GLU A 59 -8.235 1.958 -4.882 1.00 0.00 N ATOM 852 CA GLU A 59 -8.259 3.191 -5.648 1.00 0.00 C ATOM 853 C GLU A 59 -6.911 3.417 -6.335 1.00 0.00 C ATOM 854 O GLU A 59 -6.858 3.687 -7.534 1.00 0.00 O ATOM 855 CB GLU A 59 -8.628 4.381 -4.760 1.00 0.00 C ATOM 856 CG GLU A 59 -9.857 4.067 -3.904 1.00 0.00 C ATOM 857 CD GLU A 59 -10.971 5.085 -4.149 1.00 0.00 C ATOM 858 OE1 GLU A 59 -11.354 5.235 -5.329 1.00 0.00 O ATOM 859 OE2 GLU A 59 -11.415 5.693 -3.150 1.00 0.00 O ATOM 0 H GLU A 59 -8.324 2.080 -3.873 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.026 3.102 -6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.786 4.633 -4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.826 5.255 -5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.218 3.065 -4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.581 4.072 -2.850 1.00 0.00 H new ATOM 864 N LEU A 60 -5.854 3.299 -5.546 1.00 0.00 N ATOM 865 CA LEU A 60 -4.509 3.486 -6.062 1.00 0.00 C ATOM 866 C LEU A 60 -4.239 2.453 -7.158 1.00 0.00 C ATOM 867 O LEU A 60 -3.781 2.801 -8.245 1.00 0.00 O ATOM 868 CB LEU A 60 -3.487 3.454 -4.923 1.00 0.00 C ATOM 869 CG LEU A 60 -3.665 4.514 -3.834 1.00 0.00 C ATOM 870 CD1 LEU A 60 -3.051 4.050 -2.512 1.00 0.00 C ATOM 871 CD2 LEU A 60 -3.104 5.864 -4.284 1.00 0.00 C ATOM 0 H LEU A 60 -5.902 3.076 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.411 4.471 -6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.525 2.470 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.491 3.565 -5.352 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.733 4.651 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.191 4.822 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.538 3.131 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.985 3.867 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.244 6.599 -3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.041 5.762 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.627 6.195 -5.181 1.00 0.00 H new ATOM 882 N TYR A 61 -4.536 1.202 -6.834 1.00 0.00 N ATOM 883 CA TYR A 61 -4.331 0.117 -7.778 1.00 0.00 C ATOM 884 C TYR A 61 -5.116 0.356 -9.068 1.00 0.00 C ATOM 885 O TYR A 61 -4.594 0.154 -10.164 1.00 0.00 O ATOM 886 CB TYR A 61 -4.869 -1.143 -7.094 1.00 0.00 C ATOM 887 CG TYR A 61 -4.739 -2.412 -7.938 1.00 0.00 C ATOM 888 CD1 TYR A 61 -3.542 -3.097 -7.974 1.00 0.00 C ATOM 889 CD2 TYR A 61 -5.820 -2.872 -8.662 1.00 0.00 C ATOM 890 CE1 TYR A 61 -3.420 -4.292 -8.769 1.00 0.00 C ATOM 891 CE2 TYR A 61 -5.698 -4.067 -9.457 1.00 0.00 C ATOM 892 CZ TYR A 61 -4.504 -4.718 -9.470 1.00 0.00 C ATOM 893 OH TYR A 61 -4.389 -5.847 -10.220 1.00 0.00 O ATOM 0 H TYR A 61 -4.917 0.917 -5.932 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.277 0.033 -8.043 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.338 -1.288 -6.153 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.919 -0.989 -6.846 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.697 -2.737 -7.406 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.757 -2.336 -8.633 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.488 -4.837 -8.807 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.535 -4.437 -10.030 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.242 -6.032 -10.665 1.00 0.00 H new ATOM 902 N ARG A 62 -6.358 0.785 -8.897 1.00 0.00 N ATOM 903 CA ARG A 62 -7.220 1.054 -10.035 1.00 0.00 C ATOM 904 C ARG A 62 -6.635 2.180 -10.889 1.00 0.00 C ATOM 905 O ARG A 62 -6.438 2.013 -12.092 1.00 0.00 O ATOM 906 CB ARG A 62 -8.627 1.448 -9.579 1.00 0.00 C ATOM 907 CG ARG A 62 -9.413 0.224 -9.105 1.00 0.00 C ATOM 908 CD ARG A 62 -10.406 0.603 -8.004 1.00 0.00 C ATOM 909 NE ARG A 62 -11.682 1.050 -8.605 1.00 0.00 N ATOM 910 CZ ARG A 62 -12.857 1.054 -7.960 1.00 0.00 C ATOM 911 NH1 ARG A 62 -12.924 0.633 -6.689 1.00 0.00 N ATOM 912 NH2 ARG A 62 -13.963 1.477 -8.585 1.00 0.00 N ATOM 0 H ARG A 62 -6.788 0.953 -7.987 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.284 0.140 -10.626 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.561 2.177 -8.771 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.158 1.930 -10.400 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.948 -0.217 -9.946 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.723 -0.534 -8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.582 -0.252 -7.351 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.989 1.397 -7.384 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.667 1.376 -9.571 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.081 0.310 -6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.818 0.636 -6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.912 1.796 -9.552 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.857 1.480 -8.094 1.00 0.00 H new ATOM 923 N ARG A 63 -6.374 3.303 -10.235 1.00 0.00 N ATOM 924 CA ARG A 63 -5.815 4.456 -10.920 1.00 0.00 C ATOM 925 C ARG A 63 -4.768 4.010 -11.943 1.00 0.00 C ATOM 926 O ARG A 63 -4.647 4.604 -13.012 1.00 0.00 O ATOM 927 CB ARG A 63 -5.169 5.426 -9.929 1.00 0.00 C ATOM 928 CG ARG A 63 -6.227 6.281 -9.230 1.00 0.00 C ATOM 929 CD ARG A 63 -5.603 7.127 -8.119 1.00 0.00 C ATOM 930 NE ARG A 63 -5.701 8.564 -8.461 1.00 0.00 N ATOM 931 CZ ARG A 63 -5.567 9.558 -7.573 1.00 0.00 C ATOM 932 NH1 ARG A 63 -5.329 9.278 -6.285 1.00 0.00 N ATOM 933 NH2 ARG A 63 -5.672 10.833 -7.974 1.00 0.00 N ATOM 0 H ARG A 63 -6.540 3.439 -9.238 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.632 4.966 -11.430 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.599 4.867 -9.187 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.463 6.071 -10.453 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.713 6.931 -9.958 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.001 5.638 -8.811 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.112 6.934 -7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.558 6.848 -7.981 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.882 8.813 -9.434 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.250 8.308 -5.980 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.227 10.035 -5.609 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.854 11.046 -8.955 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.570 11.590 -7.298 1.00 0.00 H new ATOM 944 N ARG A 64 -4.037 2.966 -11.577 1.00 0.00 N ATOM 945 CA ARG A 64 -3.004 2.433 -12.449 1.00 0.00 C ATOM 946 C ARG A 64 -3.626 1.536 -13.521 1.00 0.00 C ATOM 947 O ARG A 64 -3.256 1.614 -14.692 1.00 0.00 O ATOM 948 CB ARG A 64 -1.974 1.629 -11.655 1.00 0.00 C ATOM 949 CG ARG A 64 -0.918 2.547 -11.037 1.00 0.00 C ATOM 950 CD ARG A 64 0.338 1.761 -10.657 1.00 0.00 C ATOM 951 NE ARG A 64 1.465 2.155 -11.531 1.00 0.00 N ATOM 952 CZ ARG A 64 2.673 1.575 -11.506 1.00 0.00 C ATOM 953 NH1 ARG A 64 2.919 0.575 -10.651 1.00 0.00 N ATOM 954 NH2 ARG A 64 3.637 1.999 -12.337 1.00 0.00 N ATOM 0 H ARG A 64 -4.140 2.476 -10.689 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.502 3.276 -12.923 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.476 1.065 -10.869 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.491 0.903 -12.309 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.658 3.335 -11.744 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.328 3.034 -10.152 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.593 1.949 -9.614 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.150 0.691 -10.752 1.00 0.00 H new ATOM 0 HE ARG A 64 1.313 2.915 -12.194 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.187 0.254 -10.018 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.839 0.134 -10.633 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.450 2.762 -12.987 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.557 1.558 -12.319 1.00 0.00 H new ATOM 965 N PHE A 65 -4.560 0.705 -13.084 1.00 0.00 N ATOM 966 CA PHE A 65 -5.235 -0.207 -13.991 1.00 0.00 C ATOM 967 C PHE A 65 -4.268 -0.751 -15.043 1.00 0.00 C ATOM 968 O PHE A 65 -3.294 -1.425 -14.707 1.00 0.00 O ATOM 969 CB PHE A 65 -6.335 0.595 -14.693 1.00 0.00 C ATOM 970 CG PHE A 65 -7.720 -0.049 -14.614 1.00 0.00 C ATOM 971 CD1 PHE A 65 -8.543 0.235 -13.569 1.00 0.00 C ATOM 972 CD2 PHE A 65 -8.130 -0.903 -15.590 1.00 0.00 C ATOM 973 CE1 PHE A 65 -9.829 -0.362 -13.496 1.00 0.00 C ATOM 974 CE2 PHE A 65 -9.416 -1.501 -15.517 1.00 0.00 C ATOM 975 CZ PHE A 65 -10.238 -1.217 -14.470 1.00 0.00 C ATOM 0 H PHE A 65 -4.866 0.644 -12.113 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.638 -1.054 -13.436 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.383 1.591 -14.252 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.064 0.723 -15.741 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.218 0.915 -12.795 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.477 -1.126 -16.421 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.482 -0.137 -12.666 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.741 -2.180 -16.291 1.00 0.00 H new ATOM 0 HZ PHE A 65 -11.216 -1.671 -14.413 1.00 0.00 H new