USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 722 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 Single : A 1 MET CE :methyl 177:sc= 0 (180deg=-0.017) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 30:sc= -0.0544 USER MOD Single : A 15 GLN : amide:sc= 0.362 K(o=0.36,f=-0.46) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -38:sc= 0.266 USER MOD Single : A 23 THR OG1 : rot -96:sc= 0.808 USER MOD Single : A 24 GLN : amide:sc= -0.0794 K(o=-0.079,f=-1.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -150:sc= -0.197 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.918 K(o=-0.92,f=-4.6!) USER MOD Single : A 43 SER OG : rot -5:sc= -0.0842 USER MOD Single : A 54 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.46) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -20:sc= 0.179 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.615 K(o=-0.61,f=-0.073) USER MOD Single : A 81 HIS : no HD1:sc=-0.00141 X(o=-0.0014,f=-0.26) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0952 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.429 23.150 -0.316 1.00 0.00 N ATOM 2 CA MET A 1 4.753 21.987 -1.162 1.00 0.00 C ATOM 3 C MET A 1 5.760 21.074 -0.463 1.00 0.00 C ATOM 4 O MET A 1 6.942 21.408 -0.401 1.00 0.00 O ATOM 5 CB MET A 1 5.286 22.448 -2.533 1.00 0.00 C ATOM 6 CG MET A 1 4.298 22.189 -3.675 1.00 0.00 C ATOM 7 SD MET A 1 4.633 23.145 -5.183 1.00 0.00 S ATOM 8 CE MET A 1 6.307 22.578 -5.592 1.00 0.00 C ATOM 0 H1 MET A 1 3.744 23.758 -0.809 1.00 0.00 H new ATOM 0 H2 MET A 1 4.019 22.823 0.582 1.00 0.00 H new ATOM 0 H3 MET A 1 5.296 23.691 -0.123 1.00 0.00 H new ATOM 0 HA MET A 1 3.839 21.416 -1.327 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.512 23.513 -2.490 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.222 21.932 -2.745 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.315 21.127 -3.921 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.291 22.420 -3.328 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.629 23.038 -6.526 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.992 22.861 -4.793 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.307 21.494 -5.703 1.00 0.00 H new ATOM 20 N SER A 2 5.292 19.938 0.078 1.00 0.00 N ATOM 21 CA SER A 2 6.135 18.996 0.811 1.00 0.00 C ATOM 22 C SER A 2 5.620 17.556 0.653 1.00 0.00 C ATOM 23 O SER A 2 6.391 16.654 0.332 1.00 0.00 O ATOM 24 CB SER A 2 6.211 19.427 2.285 1.00 0.00 C ATOM 25 OG SER A 2 7.495 19.162 2.815 1.00 0.00 O ATOM 0 H SER A 2 4.315 19.651 0.016 1.00 0.00 H new ATOM 0 HA SER A 2 7.143 19.010 0.397 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.989 20.491 2.370 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.456 18.896 2.864 1.00 0.00 H new ATOM 0 HG SER A 2 7.526 19.444 3.753 1.00 0.00 H new ATOM 31 N LYS A 3 4.315 17.352 0.888 1.00 0.00 N ATOM 32 CA LYS A 3 3.620 16.067 0.795 1.00 0.00 C ATOM 33 C LYS A 3 3.682 15.478 -0.621 1.00 0.00 C ATOM 34 O LYS A 3 3.456 16.195 -1.595 1.00 0.00 O ATOM 35 CB LYS A 3 2.143 16.264 1.184 1.00 0.00 C ATOM 36 CG LYS A 3 1.766 15.761 2.581 1.00 0.00 C ATOM 37 CD LYS A 3 2.572 16.414 3.711 1.00 0.00 C ATOM 38 CE LYS A 3 1.932 16.080 5.065 1.00 0.00 C ATOM 39 NZ LYS A 3 2.575 16.814 6.170 1.00 0.00 N ATOM 0 H LYS A 3 3.692 18.113 1.159 1.00 0.00 H new ATOM 0 HA LYS A 3 4.116 15.372 1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.905 17.326 1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.519 15.754 0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.705 15.946 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.911 14.681 2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.602 16.059 3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.604 17.494 3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.870 16.325 5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.007 15.008 5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.115 16.562 7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.583 16.562 6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.481 17.837 6.008 1.00 0.00 H new ATOM 53 N VAL A 4 3.962 14.169 -0.714 1.00 0.00 N ATOM 54 CA VAL A 4 4.180 13.457 -1.965 1.00 0.00 C ATOM 55 C VAL A 4 3.528 12.084 -1.856 1.00 0.00 C ATOM 56 O VAL A 4 4.139 11.126 -1.387 1.00 0.00 O ATOM 57 CB VAL A 4 5.689 13.394 -2.296 1.00 0.00 C ATOM 58 CG1 VAL A 4 6.608 13.044 -1.123 1.00 0.00 C ATOM 59 CG2 VAL A 4 5.967 12.435 -3.466 1.00 0.00 C ATOM 0 H VAL A 4 4.043 13.568 0.106 1.00 0.00 H new ATOM 0 HA VAL A 4 3.716 13.984 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 4 5.935 14.419 -2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.643 13.027 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.497 13.792 -0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.339 12.063 -0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.037 12.414 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.629 11.433 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.433 12.778 -4.352 1.00 0.00 H new ATOM 69 N CYS A 5 2.267 11.993 -2.274 1.00 0.00 N ATOM 70 CA CYS A 5 1.560 10.721 -2.264 1.00 0.00 C ATOM 71 C CYS A 5 1.938 9.886 -3.489 1.00 0.00 C ATOM 72 O CYS A 5 2.389 10.427 -4.496 1.00 0.00 O ATOM 73 CB CYS A 5 0.042 10.919 -2.137 1.00 0.00 C ATOM 74 SG CYS A 5 -0.541 12.214 -1.000 1.00 0.00 S ATOM 0 H CYS A 5 1.720 12.781 -2.621 1.00 0.00 H new ATOM 0 HA CYS A 5 1.871 10.164 -1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.353 11.139 -3.129 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.396 9.972 -1.822 1.00 0.00 H new ATOM 79 N ILE A 6 1.787 8.562 -3.385 1.00 0.00 N ATOM 80 CA ILE A 6 2.129 7.645 -4.472 1.00 0.00 C ATOM 81 C ILE A 6 1.124 6.487 -4.507 1.00 0.00 C ATOM 82 O ILE A 6 0.455 6.218 -3.509 1.00 0.00 O ATOM 83 CB ILE A 6 3.600 7.167 -4.373 1.00 0.00 C ATOM 84 CG1 ILE A 6 4.134 7.024 -2.944 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.571 8.115 -5.095 1.00 0.00 C ATOM 86 CD1 ILE A 6 3.345 5.968 -2.190 1.00 0.00 C ATOM 0 H ILE A 6 1.427 8.100 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 6 2.056 8.174 -5.422 1.00 0.00 H new ATOM 0 HB ILE A 6 3.563 6.185 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.189 6.751 -2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.064 7.980 -2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.589 7.737 -4.997 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.305 8.173 -6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.508 9.108 -4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.735 5.877 -1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.295 6.258 -2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.438 5.010 -2.702 1.00 0.00 H new ATOM 98 N ILE A 7 1.003 5.822 -5.661 1.00 0.00 N ATOM 99 CA ILE A 7 0.135 4.662 -5.851 1.00 0.00 C ATOM 100 C ILE A 7 0.986 3.450 -6.231 1.00 0.00 C ATOM 101 O ILE A 7 1.683 3.484 -7.244 1.00 0.00 O ATOM 102 CB ILE A 7 -0.989 4.966 -6.861 1.00 0.00 C ATOM 103 CG1 ILE A 7 -1.872 3.720 -7.068 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.489 5.491 -8.215 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.361 4.070 -7.092 1.00 0.00 C ATOM 0 H ILE A 7 1.517 6.082 -6.503 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.374 4.423 -4.917 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.575 5.774 -6.422 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.599 3.234 -8.004 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.681 3.003 -6.269 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.340 5.680 -8.869 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.066 6.417 -8.064 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.163 4.748 -8.675 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.946 3.162 -7.240 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.641 4.532 -6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.558 4.766 -7.908 1.00 0.00 H new ATOM 117 N ALA A 8 0.934 2.397 -5.404 1.00 0.00 N ATOM 118 CA ALA A 8 1.661 1.153 -5.592 1.00 0.00 C ATOM 119 C ALA A 8 0.689 0.030 -5.968 1.00 0.00 C ATOM 120 O ALA A 8 -0.053 -0.454 -5.114 1.00 0.00 O ATOM 121 CB ALA A 8 2.465 0.817 -4.334 1.00 0.00 C ATOM 0 H ALA A 8 0.362 2.397 -4.559 1.00 0.00 H new ATOM 0 HA ALA A 8 2.369 1.265 -6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.006 -0.117 -4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.175 1.619 -4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.787 0.710 -3.487 1.00 0.00 H new ATOM 127 N TRP A 9 0.699 -0.386 -7.242 1.00 0.00 N ATOM 128 CA TRP A 9 -0.124 -1.483 -7.748 1.00 0.00 C ATOM 129 C TRP A 9 0.623 -2.803 -7.623 1.00 0.00 C ATOM 130 O TRP A 9 1.714 -2.933 -8.170 1.00 0.00 O ATOM 131 CB TRP A 9 -0.471 -1.255 -9.218 1.00 0.00 C ATOM 132 CG TRP A 9 -1.548 -0.252 -9.451 1.00 0.00 C ATOM 133 CD1 TRP A 9 -2.857 -0.460 -9.211 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.450 1.100 -9.976 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.580 0.667 -9.529 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.761 1.661 -10.020 1.00 0.00 C ATOM 137 CE3 TRP A 9 -0.387 1.908 -10.424 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -3.005 2.961 -10.485 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -0.628 3.202 -10.912 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.929 3.732 -10.948 1.00 0.00 C ATOM 0 H TRP A 9 1.289 0.039 -7.957 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.039 -1.519 -7.157 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.428 -0.933 -9.744 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -0.775 -2.205 -9.658 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.278 -1.377 -8.825 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.590 0.755 -9.416 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.624 1.528 -10.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -4.007 3.363 -10.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.199 3.800 -11.265 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -2.099 4.728 -11.330 1.00 0.00 H new ATOM 151 N VAL A 10 0.015 -3.780 -6.942 1.00 0.00 N ATOM 152 CA VAL A 10 0.601 -5.085 -6.692 1.00 0.00 C ATOM 153 C VAL A 10 -0.012 -6.094 -7.675 1.00 0.00 C ATOM 154 O VAL A 10 -1.152 -6.518 -7.487 1.00 0.00 O ATOM 155 CB VAL A 10 0.350 -5.483 -5.225 1.00 0.00 C ATOM 156 CG1 VAL A 10 1.216 -6.689 -4.869 1.00 0.00 C ATOM 157 CG2 VAL A 10 0.673 -4.377 -4.207 1.00 0.00 C ATOM 0 H VAL A 10 -0.918 -3.675 -6.544 1.00 0.00 H new ATOM 0 HA VAL A 10 1.680 -5.067 -6.849 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.717 -5.696 -5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.039 -6.971 -3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.961 -7.525 -5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.267 -6.434 -5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.469 -4.739 -3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.725 -4.104 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.054 -3.503 -4.411 1.00 0.00 H new ATOM 167 N TYR A 11 0.739 -6.487 -8.715 1.00 0.00 N ATOM 168 CA TYR A 11 0.310 -7.480 -9.699 1.00 0.00 C ATOM 169 C TYR A 11 0.214 -8.874 -9.088 1.00 0.00 C ATOM 170 O TYR A 11 0.558 -9.088 -7.925 1.00 0.00 O ATOM 171 CB TYR A 11 1.263 -7.526 -10.897 1.00 0.00 C ATOM 172 CG TYR A 11 1.269 -6.262 -11.712 1.00 0.00 C ATOM 173 CD1 TYR A 11 0.285 -6.045 -12.694 1.00 0.00 C ATOM 174 CD2 TYR A 11 2.275 -5.309 -11.502 1.00 0.00 C ATOM 175 CE1 TYR A 11 0.352 -4.908 -13.514 1.00 0.00 C ATOM 176 CE2 TYR A 11 2.338 -4.175 -12.315 1.00 0.00 C ATOM 177 CZ TYR A 11 1.410 -3.996 -13.354 1.00 0.00 C ATOM 178 OH TYR A 11 1.543 -2.955 -14.221 1.00 0.00 O ATOM 0 H TYR A 11 1.672 -6.117 -8.894 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.680 -7.172 -10.037 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.274 -7.722 -10.539 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.985 -8.361 -11.540 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.521 -6.753 -12.817 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.999 -5.451 -10.714 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.405 -4.734 -14.264 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.104 -3.433 -12.144 1.00 0.00 H new ATOM 0 HH TYR A 11 0.660 -2.692 -14.554 1.00 0.00 H new ATOM 188 N GLY A 12 -0.235 -9.834 -9.903 1.00 0.00 N ATOM 189 CA GLY A 12 -0.349 -11.214 -9.496 1.00 0.00 C ATOM 190 C GLY A 12 -1.478 -11.404 -8.496 1.00 0.00 C ATOM 191 O GLY A 12 -2.284 -10.503 -8.276 1.00 0.00 O ATOM 0 H GLY A 12 -0.528 -9.662 -10.865 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.526 -11.840 -10.371 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.591 -11.544 -9.053 1.00 0.00 H new ATOM 195 N ARG A 13 -1.525 -12.595 -7.897 1.00 0.00 N ATOM 196 CA ARG A 13 -2.590 -12.983 -6.989 1.00 0.00 C ATOM 197 C ARG A 13 -2.221 -12.657 -5.552 1.00 0.00 C ATOM 198 O ARG A 13 -1.620 -13.492 -4.888 1.00 0.00 O ATOM 199 CB ARG A 13 -2.897 -14.474 -7.111 1.00 0.00 C ATOM 200 CG ARG A 13 -3.125 -14.860 -8.572 1.00 0.00 C ATOM 201 CD ARG A 13 -3.995 -16.111 -8.694 1.00 0.00 C ATOM 202 NE ARG A 13 -4.547 -16.188 -10.050 1.00 0.00 N ATOM 203 CZ ARG A 13 -5.365 -17.145 -10.513 1.00 0.00 C ATOM 204 NH1 ARG A 13 -5.683 -18.206 -9.758 1.00 0.00 N ATOM 205 NH2 ARG A 13 -5.867 -17.024 -11.748 1.00 0.00 N ATOM 0 H ARG A 13 -0.818 -13.317 -8.033 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.479 -12.416 -7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.071 -15.055 -6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.782 -14.718 -6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.601 -14.032 -9.098 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.165 -15.035 -9.057 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.404 -17.001 -8.479 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.802 -16.079 -7.962 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.285 -15.447 -10.700 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.301 -18.294 -8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.307 -18.925 -10.125 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.626 -16.214 -12.320 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.491 -17.741 -12.118 1.00 0.00 H new ATOM 219 N VAL A 14 -2.587 -11.464 -5.083 1.00 0.00 N ATOM 220 CA VAL A 14 -2.281 -10.983 -3.735 1.00 0.00 C ATOM 221 C VAL A 14 -3.549 -10.867 -2.887 1.00 0.00 C ATOM 222 O VAL A 14 -3.498 -11.074 -1.675 1.00 0.00 O ATOM 223 CB VAL A 14 -1.474 -9.678 -3.823 1.00 0.00 C ATOM 224 CG1 VAL A 14 -1.105 -9.119 -2.438 1.00 0.00 C ATOM 225 CG2 VAL A 14 -0.172 -9.994 -4.572 1.00 0.00 C ATOM 0 H VAL A 14 -3.115 -10.792 -5.640 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.655 -11.710 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.083 -8.930 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.536 -8.197 -2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.015 -8.913 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.502 -9.850 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.429 -9.089 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.388 -10.753 -4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.407 -10.365 -5.569 1.00 0.00 H new ATOM 235 N GLN A 15 -4.690 -10.557 -3.516 1.00 0.00 N ATOM 236 CA GLN A 15 -5.969 -10.471 -2.824 1.00 0.00 C ATOM 237 C GLN A 15 -6.430 -11.859 -2.372 1.00 0.00 C ATOM 238 O GLN A 15 -6.120 -12.862 -3.013 1.00 0.00 O ATOM 239 CB GLN A 15 -7.004 -9.777 -3.712 1.00 0.00 C ATOM 240 CG GLN A 15 -7.480 -10.607 -4.904 1.00 0.00 C ATOM 241 CD GLN A 15 -8.556 -9.858 -5.684 1.00 0.00 C ATOM 242 OE1 GLN A 15 -9.630 -10.401 -5.931 1.00 0.00 O ATOM 243 NE2 GLN A 15 -8.293 -8.605 -6.055 1.00 0.00 N ATOM 0 H GLN A 15 -4.746 -10.361 -4.515 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.851 -9.865 -1.925 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.868 -9.513 -3.102 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.578 -8.844 -4.082 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.637 -10.830 -5.559 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.874 -11.562 -4.555 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.390 -8.186 -5.833 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.995 -8.065 -6.561 1.00 0.00 H new ATOM 252 N GLY A 16 -7.181 -11.906 -1.266 1.00 0.00 N ATOM 253 CA GLY A 16 -7.770 -13.126 -0.736 1.00 0.00 C ATOM 254 C GLY A 16 -6.807 -13.938 0.133 1.00 0.00 C ATOM 255 O GLY A 16 -7.057 -15.118 0.371 1.00 0.00 O ATOM 0 H GLY A 16 -7.396 -11.079 -0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.651 -12.869 -0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.111 -13.746 -1.565 1.00 0.00 H new ATOM 259 N VAL A 17 -5.719 -13.317 0.605 1.00 0.00 N ATOM 260 CA VAL A 17 -4.682 -13.953 1.413 1.00 0.00 C ATOM 261 C VAL A 17 -4.673 -13.330 2.807 1.00 0.00 C ATOM 262 O VAL A 17 -4.620 -14.048 3.803 1.00 0.00 O ATOM 263 CB VAL A 17 -3.333 -13.815 0.691 1.00 0.00 C ATOM 264 CG1 VAL A 17 -2.161 -14.322 1.546 1.00 0.00 C ATOM 265 CG2 VAL A 17 -3.406 -14.612 -0.620 1.00 0.00 C ATOM 0 H VAL A 17 -5.535 -12.330 0.428 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.880 -15.017 1.539 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.150 -12.758 0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.229 -14.204 0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.110 -13.747 2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.312 -15.375 1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.457 -14.528 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.606 -15.660 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.207 -14.214 -1.244 1.00 0.00 H new ATOM 275 N GLY A 18 -4.734 -11.994 2.863 1.00 0.00 N ATOM 276 CA GLY A 18 -4.759 -11.210 4.080 1.00 0.00 C ATOM 277 C GLY A 18 -3.538 -10.304 4.184 1.00 0.00 C ATOM 278 O GLY A 18 -3.090 -10.027 5.295 1.00 0.00 O ATOM 0 H GLY A 18 -4.768 -11.417 2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.666 -10.605 4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.794 -11.876 4.942 1.00 0.00 H new ATOM 282 N PHE A 19 -3.015 -9.829 3.042 1.00 0.00 N ATOM 283 CA PHE A 19 -1.887 -8.907 2.999 1.00 0.00 C ATOM 284 C PHE A 19 -2.125 -7.713 3.920 1.00 0.00 C ATOM 285 O PHE A 19 -1.196 -7.245 4.560 1.00 0.00 O ATOM 286 CB PHE A 19 -1.617 -8.442 1.554 1.00 0.00 C ATOM 287 CG PHE A 19 -0.153 -8.482 1.151 1.00 0.00 C ATOM 288 CD1 PHE A 19 0.494 -9.727 1.071 1.00 0.00 C ATOM 289 CD2 PHE A 19 0.542 -7.314 0.775 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.842 -9.796 0.689 1.00 0.00 C ATOM 291 CE2 PHE A 19 1.863 -7.406 0.292 1.00 0.00 C ATOM 292 CZ PHE A 19 2.531 -8.639 0.297 1.00 0.00 C ATOM 0 H PHE A 19 -3.371 -10.081 2.120 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.003 -9.435 3.356 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.188 -9.069 0.870 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.987 -7.423 1.437 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.047 -10.632 1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.062 -6.350 0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.353 -10.747 0.697 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.362 -6.525 -0.083 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.568 -8.697 0.001 1.00 0.00 H new ATOM 302 N ARG A 20 -3.373 -7.242 4.021 1.00 0.00 N ATOM 303 CA ARG A 20 -3.771 -6.141 4.885 1.00 0.00 C ATOM 304 C ARG A 20 -3.823 -6.539 6.369 1.00 0.00 C ATOM 305 O ARG A 20 -4.853 -6.366 7.019 1.00 0.00 O ATOM 306 CB ARG A 20 -5.122 -5.602 4.403 1.00 0.00 C ATOM 307 CG ARG A 20 -6.207 -6.695 4.349 1.00 0.00 C ATOM 308 CD ARG A 20 -7.521 -6.185 4.942 1.00 0.00 C ATOM 309 NE ARG A 20 -8.674 -6.904 4.379 1.00 0.00 N ATOM 310 CZ ARG A 20 -9.931 -6.892 4.860 1.00 0.00 C ATOM 311 NH1 ARG A 20 -10.246 -6.214 5.972 1.00 0.00 N ATOM 312 NH2 ARG A 20 -10.886 -7.564 4.204 1.00 0.00 N ATOM 0 H ARG A 20 -4.150 -7.631 3.487 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.015 -5.359 4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.449 -4.802 5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.002 -5.164 3.412 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.365 -7.006 3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.872 -7.574 4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.506 -6.308 6.025 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.622 -5.118 4.744 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.505 -7.465 3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.526 -5.693 6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.206 -6.219 6.318 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.656 -8.076 3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.843 -7.564 4.556 1.00 0.00 H new ATOM 326 N TYR A 21 -2.710 -7.045 6.914 1.00 0.00 N ATOM 327 CA TYR A 21 -2.603 -7.464 8.304 1.00 0.00 C ATOM 328 C TYR A 21 -1.968 -6.340 9.122 1.00 0.00 C ATOM 329 O TYR A 21 -2.648 -5.694 9.917 1.00 0.00 O ATOM 330 CB TYR A 21 -1.815 -8.780 8.394 1.00 0.00 C ATOM 331 CG TYR A 21 -2.057 -9.557 9.675 1.00 0.00 C ATOM 332 CD1 TYR A 21 -1.519 -9.106 10.896 1.00 0.00 C ATOM 333 CD2 TYR A 21 -2.846 -10.723 9.649 1.00 0.00 C ATOM 334 CE1 TYR A 21 -1.767 -9.819 12.081 1.00 0.00 C ATOM 335 CE2 TYR A 21 -3.081 -11.444 10.832 1.00 0.00 C ATOM 336 CZ TYR A 21 -2.542 -10.993 12.049 1.00 0.00 C ATOM 337 OH TYR A 21 -2.772 -11.697 13.195 1.00 0.00 O ATOM 0 H TYR A 21 -1.847 -7.174 6.386 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.591 -7.657 8.721 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.080 -9.409 7.544 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.751 -8.561 8.309 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.915 -8.211 10.921 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.272 -11.064 8.717 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.362 -9.465 13.018 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.676 -12.345 10.806 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.326 -12.479 12.993 1.00 0.00 H new ATOM 347 N THR A 22 -0.665 -6.106 8.916 1.00 0.00 N ATOM 348 CA THR A 22 0.094 -5.081 9.621 1.00 0.00 C ATOM 349 C THR A 22 0.046 -3.736 8.888 1.00 0.00 C ATOM 350 O THR A 22 0.590 -2.763 9.401 1.00 0.00 O ATOM 351 CB THR A 22 1.532 -5.565 9.878 1.00 0.00 C ATOM 352 OG1 THR A 22 2.172 -4.733 10.825 1.00 0.00 O ATOM 353 CG2 THR A 22 2.369 -5.609 8.599 1.00 0.00 C ATOM 0 H THR A 22 -0.107 -6.634 8.245 1.00 0.00 H new ATOM 0 HA THR A 22 -0.372 -4.910 10.591 1.00 0.00 H new ATOM 0 HB THR A 22 1.456 -6.581 10.266 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.909 -3.801 10.673 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.375 -5.957 8.834 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.907 -6.291 7.885 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.423 -4.611 8.165 1.00 0.00 H new ATOM 361 N THR A 23 -0.600 -3.670 7.710 1.00 0.00 N ATOM 362 CA THR A 23 -0.738 -2.445 6.925 1.00 0.00 C ATOM 363 C THR A 23 -1.155 -1.248 7.791 1.00 0.00 C ATOM 364 O THR A 23 -0.660 -0.142 7.590 1.00 0.00 O ATOM 365 CB THR A 23 -1.700 -2.677 5.744 1.00 0.00 C ATOM 366 OG1 THR A 23 -1.631 -1.579 4.859 1.00 0.00 O ATOM 367 CG2 THR A 23 -3.159 -2.901 6.151 1.00 0.00 C ATOM 0 H THR A 23 -1.044 -4.480 7.277 1.00 0.00 H new ATOM 0 HA THR A 23 0.240 -2.190 6.517 1.00 0.00 H new ATOM 0 HB THR A 23 -1.370 -3.599 5.266 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.355 -0.950 5.061 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.766 -3.056 5.259 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.227 -3.779 6.793 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.524 -2.028 6.691 1.00 0.00 H new ATOM 375 N GLN A 24 -2.034 -1.486 8.778 1.00 0.00 N ATOM 376 CA GLN A 24 -2.472 -0.490 9.744 1.00 0.00 C ATOM 377 C GLN A 24 -1.322 -0.143 10.695 1.00 0.00 C ATOM 378 O GLN A 24 -0.930 1.017 10.767 1.00 0.00 O ATOM 379 CB GLN A 24 -3.693 -1.008 10.518 1.00 0.00 C ATOM 380 CG GLN A 24 -4.905 -1.262 9.603 1.00 0.00 C ATOM 381 CD GLN A 24 -6.012 -0.220 9.693 1.00 0.00 C ATOM 382 OE1 GLN A 24 -6.230 0.399 10.732 1.00 0.00 O ATOM 383 NE2 GLN A 24 -6.758 -0.066 8.601 1.00 0.00 N ATOM 0 H GLN A 24 -2.464 -2.400 8.922 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.765 0.418 9.218 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.429 -1.933 11.031 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.967 -0.284 11.286 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.557 -1.312 8.571 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.325 -2.238 9.845 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.544 -0.599 7.758 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.543 0.585 8.608 1.00 0.00 H new ATOM 392 N TYR A 25 -0.798 -1.142 11.425 1.00 0.00 N ATOM 393 CA TYR A 25 0.248 -0.976 12.435 1.00 0.00 C ATOM 394 C TYR A 25 1.420 -0.161 11.891 1.00 0.00 C ATOM 395 O TYR A 25 1.799 0.853 12.473 1.00 0.00 O ATOM 396 CB TYR A 25 0.739 -2.348 12.931 1.00 0.00 C ATOM 397 CG TYR A 25 0.908 -2.443 14.437 1.00 0.00 C ATOM 398 CD1 TYR A 25 2.083 -1.978 15.060 1.00 0.00 C ATOM 399 CD2 TYR A 25 -0.115 -3.015 15.214 1.00 0.00 C ATOM 400 CE1 TYR A 25 2.238 -2.105 16.453 1.00 0.00 C ATOM 401 CE2 TYR A 25 0.041 -3.143 16.605 1.00 0.00 C ATOM 402 CZ TYR A 25 1.219 -2.691 17.226 1.00 0.00 C ATOM 403 OH TYR A 25 1.373 -2.820 18.575 1.00 0.00 O ATOM 0 H TYR A 25 -1.102 -2.110 11.322 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.183 -0.430 13.274 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.033 -3.113 12.607 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.693 -2.573 12.455 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.865 -1.524 14.469 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.023 -3.357 14.740 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.141 -1.752 16.929 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.744 -3.589 17.197 1.00 0.00 H new ATOM 0 HH TYR A 25 0.576 -3.244 18.956 1.00 0.00 H new ATOM 413 N GLU A 26 1.980 -0.619 10.766 1.00 0.00 N ATOM 414 CA GLU A 26 3.105 0.013 10.104 1.00 0.00 C ATOM 415 C GLU A 26 2.773 1.468 9.797 1.00 0.00 C ATOM 416 O GLU A 26 3.460 2.369 10.269 1.00 0.00 O ATOM 417 CB GLU A 26 3.463 -0.776 8.839 1.00 0.00 C ATOM 418 CG GLU A 26 4.919 -1.252 8.922 1.00 0.00 C ATOM 419 CD GLU A 26 5.347 -1.997 7.668 1.00 0.00 C ATOM 420 OE1 GLU A 26 4.438 -2.357 6.893 1.00 0.00 O ATOM 421 OE2 GLU A 26 6.574 -2.186 7.515 1.00 0.00 O ATOM 0 H GLU A 26 1.650 -1.457 10.288 1.00 0.00 H new ATOM 0 HA GLU A 26 3.977 0.008 10.758 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.796 -1.631 8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.324 -0.151 7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.573 -0.393 9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.039 -1.902 9.789 1.00 0.00 H new ATOM 428 N ALA A 27 1.688 1.684 9.045 1.00 0.00 N ATOM 429 CA ALA A 27 1.202 3.007 8.681 1.00 0.00 C ATOM 430 C ALA A 27 1.051 3.923 9.902 1.00 0.00 C ATOM 431 O ALA A 27 1.296 5.124 9.802 1.00 0.00 O ATOM 432 CB ALA A 27 -0.128 2.866 7.937 1.00 0.00 C ATOM 0 H ALA A 27 1.117 0.927 8.669 1.00 0.00 H new ATOM 0 HA ALA A 27 1.939 3.477 8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.497 3.854 7.662 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.020 2.270 7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.855 2.374 8.582 1.00 0.00 H new ATOM 438 N LYS A 28 0.674 3.351 11.052 1.00 0.00 N ATOM 439 CA LYS A 28 0.528 4.061 12.317 1.00 0.00 C ATOM 440 C LYS A 28 1.860 4.651 12.793 1.00 0.00 C ATOM 441 O LYS A 28 1.882 5.758 13.327 1.00 0.00 O ATOM 442 CB LYS A 28 -0.066 3.128 13.391 1.00 0.00 C ATOM 443 CG LYS A 28 -1.266 3.775 14.084 1.00 0.00 C ATOM 444 CD LYS A 28 -1.814 2.847 15.177 1.00 0.00 C ATOM 445 CE LYS A 28 -3.147 3.362 15.735 1.00 0.00 C ATOM 446 NZ LYS A 28 -2.959 4.307 16.852 1.00 0.00 N ATOM 0 H LYS A 28 0.458 2.357 11.124 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.158 4.892 12.153 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.372 2.188 12.931 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.698 2.888 14.130 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.971 4.729 14.521 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.046 3.987 13.353 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.951 1.845 14.770 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.087 2.766 15.985 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.707 3.852 14.938 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.747 2.517 16.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.887 4.627 17.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.448 3.834 17.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.409 5.127 16.524 1.00 0.00 H new ATOM 460 N ARG A 29 2.963 3.915 12.606 1.00 0.00 N ATOM 461 CA ARG A 29 4.299 4.331 13.012 1.00 0.00 C ATOM 462 C ARG A 29 4.778 5.509 12.157 1.00 0.00 C ATOM 463 O ARG A 29 5.427 6.417 12.672 1.00 0.00 O ATOM 464 CB ARG A 29 5.268 3.149 12.893 1.00 0.00 C ATOM 465 CG ARG A 29 4.856 1.951 13.764 1.00 0.00 C ATOM 466 CD ARG A 29 5.460 0.644 13.228 1.00 0.00 C ATOM 467 NE ARG A 29 6.114 -0.147 14.277 1.00 0.00 N ATOM 468 CZ ARG A 29 7.253 0.194 14.901 1.00 0.00 C ATOM 469 NH1 ARG A 29 7.901 1.321 14.573 1.00 0.00 N ATOM 470 NH2 ARG A 29 7.741 -0.599 15.862 1.00 0.00 N ATOM 0 H ARG A 29 2.945 2.998 12.160 1.00 0.00 H new ATOM 0 HA ARG A 29 4.268 4.658 14.051 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.323 2.833 11.851 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.268 3.474 13.180 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.185 2.113 14.790 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.769 1.871 13.787 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.674 0.048 12.765 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.185 0.876 12.448 1.00 0.00 H new ATOM 0 HE ARG A 29 5.669 -1.023 14.553 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.529 1.929 13.843 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.765 1.570 15.053 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.248 -1.455 16.116 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.606 -0.347 16.341 1.00 0.00 H new ATOM 484 N LEU A 30 4.460 5.490 10.859 1.00 0.00 N ATOM 485 CA LEU A 30 4.815 6.551 9.924 1.00 0.00 C ATOM 486 C LEU A 30 3.898 7.766 10.094 1.00 0.00 C ATOM 487 O LEU A 30 4.340 8.894 9.882 1.00 0.00 O ATOM 488 CB LEU A 30 4.761 6.018 8.485 1.00 0.00 C ATOM 489 CG LEU A 30 5.905 5.077 8.066 1.00 0.00 C ATOM 490 CD1 LEU A 30 7.287 5.634 8.406 1.00 0.00 C ATOM 491 CD2 LEU A 30 5.787 3.678 8.665 1.00 0.00 C ATOM 0 H LEU A 30 3.942 4.725 10.427 1.00 0.00 H new ATOM 0 HA LEU A 30 5.833 6.878 10.138 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.817 5.491 8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.751 6.869 7.804 1.00 0.00 H new ATOM 0 HG LEU A 30 5.803 5.005 6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.053 4.927 8.087 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.433 6.584 7.892 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.362 5.789 9.482 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.625 3.067 8.329 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.800 3.746 9.753 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.852 3.221 8.341 1.00 0.00 H new ATOM 503 N GLY A 31 2.631 7.547 10.467 1.00 0.00 N ATOM 504 CA GLY A 31 1.652 8.606 10.660 1.00 0.00 C ATOM 505 C GLY A 31 1.066 9.119 9.344 1.00 0.00 C ATOM 506 O GLY A 31 0.454 10.186 9.319 1.00 0.00 O ATOM 0 H GLY A 31 2.259 6.614 10.644 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.845 8.237 11.293 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.120 9.435 11.191 1.00 0.00 H new ATOM 510 N LEU A 32 1.251 8.363 8.257 1.00 0.00 N ATOM 511 CA LEU A 32 0.727 8.691 6.940 1.00 0.00 C ATOM 512 C LEU A 32 -0.729 8.243 6.796 1.00 0.00 C ATOM 513 O LEU A 32 -1.302 7.675 7.725 1.00 0.00 O ATOM 514 CB LEU A 32 1.629 8.083 5.863 1.00 0.00 C ATOM 515 CG LEU A 32 1.274 6.659 5.408 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.329 6.209 4.423 1.00 0.00 C ATOM 517 CD2 LEU A 32 1.198 5.639 6.538 1.00 0.00 C ATOM 0 H LEU A 32 1.780 7.491 8.275 1.00 0.00 H new ATOM 0 HA LEU A 32 0.730 9.774 6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.610 8.736 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.653 8.079 6.236 1.00 0.00 H new ATOM 0 HG LEU A 32 0.277 6.704 4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.102 5.199 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.341 6.886 3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.306 6.218 4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.942 4.661 6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.163 5.581 7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.434 5.944 7.253 1.00 0.00 H new ATOM 529 N THR A 33 -1.321 8.497 5.624 1.00 0.00 N ATOM 530 CA THR A 33 -2.719 8.198 5.356 1.00 0.00 C ATOM 531 C THR A 33 -2.808 7.222 4.178 1.00 0.00 C ATOM 532 O THR A 33 -1.808 6.606 3.819 1.00 0.00 O ATOM 533 CB THR A 33 -3.440 9.522 5.089 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.959 10.093 3.895 1.00 0.00 O ATOM 535 CG2 THR A 33 -3.242 10.525 6.234 1.00 0.00 C ATOM 0 H THR A 33 -0.834 8.919 4.833 1.00 0.00 H new ATOM 0 HA THR A 33 -3.202 7.713 6.204 1.00 0.00 H new ATOM 0 HB THR A 33 -4.505 9.302 5.007 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.022 11.069 3.951 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.770 11.450 6.003 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.636 10.104 7.159 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.179 10.735 6.354 1.00 0.00 H new ATOM 543 N GLY A 34 -3.980 7.095 3.544 1.00 0.00 N ATOM 544 CA GLY A 34 -4.144 6.325 2.319 1.00 0.00 C ATOM 545 C GLY A 34 -5.126 5.189 2.519 1.00 0.00 C ATOM 546 O GLY A 34 -6.029 5.285 3.345 1.00 0.00 O ATOM 0 H GLY A 34 -4.842 7.529 3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.495 6.977 1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.180 5.926 2.004 1.00 0.00 H new ATOM 550 N TYR A 35 -4.942 4.119 1.743 1.00 0.00 N ATOM 551 CA TYR A 35 -5.737 2.901 1.872 1.00 0.00 C ATOM 552 C TYR A 35 -5.204 1.770 0.990 1.00 0.00 C ATOM 553 O TYR A 35 -4.351 2.011 0.137 1.00 0.00 O ATOM 554 CB TYR A 35 -7.212 3.177 1.534 1.00 0.00 C ATOM 555 CG TYR A 35 -7.438 3.599 0.093 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.466 2.630 -0.927 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.515 4.964 -0.243 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.524 3.027 -2.271 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.689 5.350 -1.584 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.711 4.377 -2.598 1.00 0.00 C ATOM 561 OH TYR A 35 -7.919 4.732 -3.898 1.00 0.00 O ATOM 0 H TYR A 35 -4.237 4.075 1.008 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.659 2.579 2.910 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.796 2.279 1.737 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.587 3.958 2.195 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.443 1.580 -0.675 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.440 5.715 0.530 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.424 2.291 -3.055 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.806 6.394 -1.835 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.032 5.704 -3.958 1.00 0.00 H new ATOM 571 N ALA A 36 -5.740 0.551 1.183 1.00 0.00 N ATOM 572 CA ALA A 36 -5.317 -0.640 0.449 1.00 0.00 C ATOM 573 C ALA A 36 -6.512 -1.378 -0.173 1.00 0.00 C ATOM 574 O ALA A 36 -7.059 -2.285 0.448 1.00 0.00 O ATOM 575 CB ALA A 36 -4.531 -1.540 1.406 1.00 0.00 C ATOM 0 H ALA A 36 -6.483 0.371 1.858 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.678 -0.348 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.205 -2.436 0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.660 -1.002 1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.168 -1.824 2.244 1.00 0.00 H new ATOM 581 N LYS A 37 -6.916 -1.013 -1.396 1.00 0.00 N ATOM 582 CA LYS A 37 -8.048 -1.625 -2.100 1.00 0.00 C ATOM 583 C LYS A 37 -7.575 -2.828 -2.912 1.00 0.00 C ATOM 584 O LYS A 37 -6.379 -3.092 -2.995 1.00 0.00 O ATOM 585 CB LYS A 37 -8.762 -0.588 -2.991 1.00 0.00 C ATOM 586 CG LYS A 37 -9.957 0.022 -2.245 1.00 0.00 C ATOM 587 CD LYS A 37 -10.529 1.294 -2.874 1.00 0.00 C ATOM 588 CE LYS A 37 -11.379 2.024 -1.825 1.00 0.00 C ATOM 589 NZ LYS A 37 -11.908 3.297 -2.340 1.00 0.00 N ATOM 0 H LYS A 37 -6.459 -0.274 -1.931 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.771 -1.977 -1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.063 0.198 -3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.103 -1.062 -3.911 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.749 -0.724 -2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.653 0.245 -1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.722 1.939 -3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.136 1.045 -3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.206 1.384 -1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.776 2.214 -0.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.477 3.760 -1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.118 3.918 -2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.504 3.114 -3.173 1.00 0.00 H new ATOM 603 N ASN A 38 -8.527 -3.568 -3.490 1.00 0.00 N ATOM 604 CA ASN A 38 -8.279 -4.754 -4.298 1.00 0.00 C ATOM 605 C ASN A 38 -8.927 -4.557 -5.669 1.00 0.00 C ATOM 606 O ASN A 38 -10.036 -4.031 -5.759 1.00 0.00 O ATOM 607 CB ASN A 38 -8.787 -6.020 -3.590 1.00 0.00 C ATOM 608 CG ASN A 38 -8.123 -6.317 -2.249 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.398 -5.508 -1.677 1.00 0.00 O ATOM 610 ND2 ASN A 38 -8.383 -7.511 -1.725 1.00 0.00 N ATOM 0 H ASN A 38 -9.519 -3.347 -3.402 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.207 -4.893 -4.436 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.861 -5.925 -3.434 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.636 -6.874 -4.251 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.977 -7.773 -0.827 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.989 -8.165 -2.221 1.00 0.00 H new ATOM 617 N LEU A 39 -8.216 -4.968 -6.728 1.00 0.00 N ATOM 618 CA LEU A 39 -8.676 -4.933 -8.111 1.00 0.00 C ATOM 619 C LEU A 39 -9.699 -6.044 -8.355 1.00 0.00 C ATOM 620 O LEU A 39 -10.005 -6.827 -7.458 1.00 0.00 O ATOM 621 CB LEU A 39 -7.471 -5.057 -9.074 1.00 0.00 C ATOM 622 CG LEU A 39 -6.782 -3.715 -9.385 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.554 -3.910 -10.284 1.00 0.00 C ATOM 624 CD2 LEU A 39 -7.741 -2.764 -10.114 1.00 0.00 C ATOM 0 H LEU A 39 -7.273 -5.346 -6.635 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.165 -3.978 -8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.739 -5.738 -8.639 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.809 -5.506 -10.008 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.479 -3.293 -8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.092 -2.943 -10.484 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.836 -4.559 -9.783 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.861 -4.367 -11.225 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.232 -1.823 -10.323 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.062 -3.219 -11.051 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.612 -2.574 -9.486 1.00 0.00 H new ATOM 636 N ASP A 40 -10.226 -6.108 -9.582 1.00 0.00 N ATOM 637 CA ASP A 40 -11.184 -7.123 -10.001 1.00 0.00 C ATOM 638 C ASP A 40 -10.504 -8.228 -10.819 1.00 0.00 C ATOM 639 O ASP A 40 -11.199 -9.034 -11.435 1.00 0.00 O ATOM 640 CB ASP A 40 -12.320 -6.458 -10.796 1.00 0.00 C ATOM 641 CG ASP A 40 -13.018 -5.325 -10.042 1.00 0.00 C ATOM 642 OD1 ASP A 40 -13.000 -5.352 -8.792 1.00 0.00 O ATOM 643 OD2 ASP A 40 -13.569 -4.445 -10.738 1.00 0.00 O ATOM 0 H ASP A 40 -9.992 -5.443 -10.320 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.605 -7.598 -9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.917 -6.066 -11.730 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.058 -7.215 -11.060 1.00 0.00 H new ATOM 648 N ASP A 41 -9.161 -8.272 -10.827 1.00 0.00 N ATOM 649 CA ASP A 41 -8.370 -9.219 -11.612 1.00 0.00 C ATOM 650 C ASP A 41 -7.531 -10.154 -10.732 1.00 0.00 C ATOM 651 O ASP A 41 -7.038 -11.167 -11.225 1.00 0.00 O ATOM 652 CB ASP A 41 -7.489 -8.445 -12.604 1.00 0.00 C ATOM 653 CG ASP A 41 -7.188 -9.268 -13.855 1.00 0.00 C ATOM 654 OD1 ASP A 41 -8.149 -9.510 -14.618 1.00 0.00 O ATOM 655 OD2 ASP A 41 -6.006 -9.631 -14.034 1.00 0.00 O ATOM 0 H ASP A 41 -8.588 -7.634 -10.274 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.057 -9.861 -12.163 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.989 -7.519 -12.889 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.554 -8.166 -12.119 1.00 0.00 H new ATOM 660 N GLY A 42 -7.372 -9.826 -9.440 1.00 0.00 N ATOM 661 CA GLY A 42 -6.611 -10.596 -8.467 1.00 0.00 C ATOM 662 C GLY A 42 -5.522 -9.793 -7.746 1.00 0.00 C ATOM 663 O GLY A 42 -4.772 -10.346 -6.943 1.00 0.00 O ATOM 0 H GLY A 42 -7.788 -8.986 -9.039 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.298 -11.004 -7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.148 -11.443 -8.972 1.00 0.00 H new ATOM 667 N SER A 43 -5.425 -8.497 -8.038 1.00 0.00 N ATOM 668 CA SER A 43 -4.343 -7.622 -7.599 1.00 0.00 C ATOM 669 C SER A 43 -4.787 -6.702 -6.458 1.00 0.00 C ATOM 670 O SER A 43 -5.977 -6.625 -6.159 1.00 0.00 O ATOM 671 CB SER A 43 -3.884 -6.833 -8.825 1.00 0.00 C ATOM 672 OG SER A 43 -3.039 -7.646 -9.602 1.00 0.00 O ATOM 0 H SER A 43 -6.121 -8.013 -8.605 1.00 0.00 H new ATOM 0 HA SER A 43 -3.517 -8.207 -7.194 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.745 -6.515 -9.412 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.358 -5.930 -8.516 1.00 0.00 H new ATOM 0 HG SER A 43 -2.876 -8.491 -9.133 1.00 0.00 H new ATOM 678 N VAL A 44 -3.820 -6.044 -5.795 1.00 0.00 N ATOM 679 CA VAL A 44 -4.054 -5.186 -4.633 1.00 0.00 C ATOM 680 C VAL A 44 -3.461 -3.793 -4.882 1.00 0.00 C ATOM 681 O VAL A 44 -2.290 -3.688 -5.231 1.00 0.00 O ATOM 682 CB VAL A 44 -3.466 -5.850 -3.372 1.00 0.00 C ATOM 683 CG1 VAL A 44 -3.652 -4.972 -2.126 1.00 0.00 C ATOM 684 CG2 VAL A 44 -4.186 -7.179 -3.101 1.00 0.00 C ATOM 0 H VAL A 44 -2.837 -6.098 -6.061 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.125 -5.060 -4.473 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.403 -6.000 -3.558 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.224 -5.475 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.149 -4.017 -2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.715 -4.800 -1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.767 -7.645 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.249 -6.992 -2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.054 -7.845 -3.954 1.00 0.00 H new ATOM 694 N GLU A 45 -4.253 -2.730 -4.702 1.00 0.00 N ATOM 695 CA GLU A 45 -3.836 -1.343 -4.887 1.00 0.00 C ATOM 696 C GLU A 45 -3.572 -0.667 -3.541 1.00 0.00 C ATOM 697 O GLU A 45 -4.482 -0.605 -2.719 1.00 0.00 O ATOM 698 CB GLU A 45 -4.940 -0.550 -5.594 1.00 0.00 C ATOM 699 CG GLU A 45 -5.558 -1.290 -6.781 1.00 0.00 C ATOM 700 CD GLU A 45 -6.270 -0.307 -7.707 1.00 0.00 C ATOM 701 OE1 GLU A 45 -6.995 0.558 -7.172 1.00 0.00 O ATOM 702 OE2 GLU A 45 -6.059 -0.420 -8.932 1.00 0.00 O ATOM 0 H GLU A 45 -5.228 -2.818 -4.416 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.924 -1.354 -5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.724 -0.314 -4.875 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.530 0.398 -5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.781 -1.821 -7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.264 -2.039 -6.423 1.00 0.00 H new ATOM 709 N VAL A 46 -2.364 -0.136 -3.322 1.00 0.00 N ATOM 710 CA VAL A 46 -1.978 0.504 -2.065 1.00 0.00 C ATOM 711 C VAL A 46 -1.648 1.976 -2.336 1.00 0.00 C ATOM 712 O VAL A 46 -0.974 2.267 -3.319 1.00 0.00 O ATOM 713 CB VAL A 46 -0.775 -0.259 -1.485 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.312 0.279 -0.128 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.120 -1.741 -1.275 1.00 0.00 C ATOM 0 H VAL A 46 -1.621 -0.140 -4.021 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.788 0.474 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 46 0.022 -0.126 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.539 -0.304 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.018 1.324 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.127 0.201 0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.255 -2.261 -0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.957 -1.825 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.393 -2.190 -2.230 1.00 0.00 H new ATOM 725 N VAL A 47 -2.124 2.901 -1.493 1.00 0.00 N ATOM 726 CA VAL A 47 -1.918 4.344 -1.659 1.00 0.00 C ATOM 727 C VAL A 47 -1.431 4.947 -0.341 1.00 0.00 C ATOM 728 O VAL A 47 -1.856 4.483 0.715 1.00 0.00 O ATOM 729 CB VAL A 47 -3.226 5.046 -2.060 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.936 6.412 -2.697 1.00 0.00 C ATOM 731 CG2 VAL A 47 -4.075 4.223 -3.038 1.00 0.00 C ATOM 0 H VAL A 47 -2.671 2.664 -0.665 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.178 4.490 -2.445 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.793 5.166 -1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.875 6.891 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.404 7.041 -1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.323 6.275 -3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.984 4.773 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.506 4.040 -3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.339 3.271 -2.578 1.00 0.00 H new ATOM 741 N ALA A 48 -0.553 5.960 -0.402 1.00 0.00 N ATOM 742 CA ALA A 48 0.066 6.499 0.804 1.00 0.00 C ATOM 743 C ALA A 48 0.580 7.916 0.568 1.00 0.00 C ATOM 744 O ALA A 48 1.159 8.164 -0.485 1.00 0.00 O ATOM 745 CB ALA A 48 1.246 5.592 1.134 1.00 0.00 C ATOM 0 H ALA A 48 -0.262 6.414 -1.268 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.662 6.537 1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.744 5.955 2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.888 4.576 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.951 5.595 0.302 1.00 0.00 H new ATOM 751 N CYS A 49 0.393 8.818 1.542 1.00 0.00 N ATOM 752 CA CYS A 49 0.792 10.225 1.473 1.00 0.00 C ATOM 753 C CYS A 49 1.974 10.537 2.386 1.00 0.00 C ATOM 754 O CYS A 49 2.509 9.652 3.043 1.00 0.00 O ATOM 755 CB CYS A 49 -0.434 11.079 1.806 1.00 0.00 C ATOM 756 SG CYS A 49 -1.614 11.237 0.441 1.00 0.00 S ATOM 0 H CYS A 49 -0.055 8.577 2.426 1.00 0.00 H new ATOM 0 HA CYS A 49 1.140 10.457 0.466 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.944 10.644 2.665 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.102 12.074 2.102 1.00 0.00 H new ATOM 761 N GLY A 50 2.391 11.808 2.411 1.00 0.00 N ATOM 762 CA GLY A 50 3.498 12.271 3.234 1.00 0.00 C ATOM 763 C GLY A 50 4.802 12.220 2.448 1.00 0.00 C ATOM 764 O GLY A 50 4.789 12.180 1.222 1.00 0.00 O ATOM 0 H GLY A 50 1.961 12.546 1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.308 13.290 3.570 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.580 11.651 4.127 1.00 0.00 H new ATOM 768 N GLU A 51 5.926 12.240 3.165 1.00 0.00 N ATOM 769 CA GLU A 51 7.263 12.185 2.592 1.00 0.00 C ATOM 770 C GLU A 51 7.614 10.759 2.157 1.00 0.00 C ATOM 771 O GLU A 51 7.618 9.848 2.982 1.00 0.00 O ATOM 772 CB GLU A 51 8.281 12.743 3.596 1.00 0.00 C ATOM 773 CG GLU A 51 8.167 12.112 4.993 1.00 0.00 C ATOM 774 CD GLU A 51 7.812 13.142 6.058 1.00 0.00 C ATOM 775 OE1 GLU A 51 8.726 13.904 6.437 1.00 0.00 O ATOM 776 OE2 GLU A 51 6.628 13.153 6.458 1.00 0.00 O ATOM 0 H GLU A 51 5.928 12.296 4.183 1.00 0.00 H new ATOM 0 HA GLU A 51 7.294 12.806 1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.288 12.578 3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.144 13.821 3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.407 11.331 4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.111 11.633 5.252 1.00 0.00 H new ATOM 783 N GLU A 52 7.923 10.580 0.865 1.00 0.00 N ATOM 784 CA GLU A 52 8.195 9.287 0.246 1.00 0.00 C ATOM 785 C GLU A 52 9.212 8.495 1.062 1.00 0.00 C ATOM 786 O GLU A 52 9.005 7.318 1.326 1.00 0.00 O ATOM 787 CB GLU A 52 8.691 9.469 -1.197 1.00 0.00 C ATOM 788 CG GLU A 52 7.955 8.514 -2.147 1.00 0.00 C ATOM 789 CD GLU A 52 8.364 8.747 -3.597 1.00 0.00 C ATOM 790 OE1 GLU A 52 9.438 8.233 -3.976 1.00 0.00 O ATOM 791 OE2 GLU A 52 7.598 9.442 -4.300 1.00 0.00 O ATOM 0 H GLU A 52 7.991 11.357 0.208 1.00 0.00 H new ATOM 0 HA GLU A 52 7.262 8.723 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.532 10.500 -1.514 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.764 9.282 -1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.171 7.483 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.879 8.654 -2.044 1.00 0.00 H new ATOM 798 N GLY A 53 10.286 9.171 1.482 1.00 0.00 N ATOM 799 CA GLY A 53 11.343 8.664 2.336 1.00 0.00 C ATOM 800 C GLY A 53 10.826 7.861 3.533 1.00 0.00 C ATOM 801 O GLY A 53 11.368 6.802 3.843 1.00 0.00 O ATOM 0 H GLY A 53 10.442 10.143 1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.007 8.033 1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.939 9.501 2.700 1.00 0.00 H new ATOM 805 N GLN A 54 9.778 8.363 4.199 1.00 0.00 N ATOM 806 CA GLN A 54 9.129 7.686 5.309 1.00 0.00 C ATOM 807 C GLN A 54 8.209 6.592 4.788 1.00 0.00 C ATOM 808 O GLN A 54 8.274 5.465 5.268 1.00 0.00 O ATOM 809 CB GLN A 54 8.368 8.685 6.183 1.00 0.00 C ATOM 810 CG GLN A 54 9.297 9.297 7.241 1.00 0.00 C ATOM 811 CD GLN A 54 8.534 10.098 8.295 1.00 0.00 C ATOM 812 OE1 GLN A 54 8.666 11.315 8.374 1.00 0.00 O ATOM 813 NE2 GLN A 54 7.756 9.409 9.133 1.00 0.00 N ATOM 0 H GLN A 54 9.358 9.264 3.972 1.00 0.00 H new ATOM 0 HA GLN A 54 9.892 7.220 5.932 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.948 9.475 5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.532 8.185 6.671 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.859 8.502 7.730 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.023 9.946 6.751 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.672 8.397 9.035 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.246 9.894 9.871 1.00 0.00 H new ATOM 822 N VAL A 55 7.358 6.914 3.810 1.00 0.00 N ATOM 823 CA VAL A 55 6.432 5.955 3.225 1.00 0.00 C ATOM 824 C VAL A 55 7.152 4.682 2.747 1.00 0.00 C ATOM 825 O VAL A 55 6.594 3.594 2.823 1.00 0.00 O ATOM 826 CB VAL A 55 5.651 6.633 2.090 1.00 0.00 C ATOM 827 CG1 VAL A 55 4.625 5.663 1.497 1.00 0.00 C ATOM 828 CG2 VAL A 55 4.901 7.874 2.591 1.00 0.00 C ATOM 0 H VAL A 55 7.296 7.848 3.405 1.00 0.00 H new ATOM 0 HA VAL A 55 5.728 5.632 3.992 1.00 0.00 H new ATOM 0 HB VAL A 55 6.377 6.930 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.079 6.157 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.139 4.787 1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.926 5.353 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.359 8.330 1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.196 7.583 3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.615 8.591 2.996 1.00 0.00 H new ATOM 838 N GLU A 56 8.401 4.812 2.286 1.00 0.00 N ATOM 839 CA GLU A 56 9.242 3.719 1.816 1.00 0.00 C ATOM 840 C GLU A 56 9.556 2.711 2.929 1.00 0.00 C ATOM 841 O GLU A 56 9.705 1.522 2.652 1.00 0.00 O ATOM 842 CB GLU A 56 10.532 4.279 1.196 1.00 0.00 C ATOM 843 CG GLU A 56 10.716 3.796 -0.249 1.00 0.00 C ATOM 844 CD GLU A 56 11.948 4.404 -0.917 1.00 0.00 C ATOM 845 OE1 GLU A 56 12.818 4.917 -0.181 1.00 0.00 O ATOM 846 OE2 GLU A 56 12.001 4.333 -2.164 1.00 0.00 O ATOM 0 H GLU A 56 8.866 5.718 2.230 1.00 0.00 H new ATOM 0 HA GLU A 56 8.688 3.176 1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.504 5.368 1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.389 3.971 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.801 2.709 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.829 4.051 -0.829 1.00 0.00 H new ATOM 853 N LYS A 57 9.655 3.170 4.184 1.00 0.00 N ATOM 854 CA LYS A 57 9.916 2.296 5.320 1.00 0.00 C ATOM 855 C LYS A 57 8.786 1.286 5.471 1.00 0.00 C ATOM 856 O LYS A 57 9.065 0.095 5.506 1.00 0.00 O ATOM 857 CB LYS A 57 10.106 3.105 6.605 1.00 0.00 C ATOM 858 CG LYS A 57 11.442 3.866 6.589 1.00 0.00 C ATOM 859 CD LYS A 57 11.332 5.297 7.138 1.00 0.00 C ATOM 860 CE LYS A 57 12.178 5.541 8.388 1.00 0.00 C ATOM 861 NZ LYS A 57 11.694 4.756 9.535 1.00 0.00 N ATOM 0 H LYS A 57 9.556 4.154 4.433 1.00 0.00 H new ATOM 0 HA LYS A 57 10.844 1.754 5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.283 3.811 6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.075 2.438 7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.174 3.313 7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.818 3.904 5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.636 5.999 6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.288 5.509 7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.216 5.281 8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.159 6.602 8.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.292 4.948 10.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.711 5.022 9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.736 3.743 9.305 1.00 0.00 H new ATOM 875 N LEU A 58 7.522 1.724 5.535 1.00 0.00 N ATOM 876 CA LEU A 58 6.409 0.785 5.653 1.00 0.00 C ATOM 877 C LEU A 58 6.370 -0.177 4.460 1.00 0.00 C ATOM 878 O LEU A 58 5.940 -1.321 4.591 1.00 0.00 O ATOM 879 CB LEU A 58 5.089 1.545 5.849 1.00 0.00 C ATOM 880 CG LEU A 58 4.355 1.939 4.565 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.277 0.924 4.167 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.696 3.298 4.748 1.00 0.00 C ATOM 0 H LEU A 58 7.251 2.707 5.507 1.00 0.00 H new ATOM 0 HA LEU A 58 6.558 0.167 6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.422 0.929 6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.293 2.450 6.422 1.00 0.00 H new ATOM 0 HG LEU A 58 5.101 1.969 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.788 1.253 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.737 -0.050 4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.538 0.847 4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.174 3.576 3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.983 3.249 5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.458 4.045 4.972 1.00 0.00 H new ATOM 894 N MET A 59 6.841 0.284 3.292 1.00 0.00 N ATOM 895 CA MET A 59 6.906 -0.533 2.094 1.00 0.00 C ATOM 896 C MET A 59 7.897 -1.681 2.253 1.00 0.00 C ATOM 897 O MET A 59 7.740 -2.689 1.566 1.00 0.00 O ATOM 898 CB MET A 59 7.142 0.308 0.833 1.00 0.00 C ATOM 899 CG MET A 59 6.084 1.410 0.648 1.00 0.00 C ATOM 900 SD MET A 59 4.988 1.225 -0.784 1.00 0.00 S ATOM 901 CE MET A 59 5.664 2.526 -1.850 1.00 0.00 C ATOM 0 H MET A 59 7.185 1.235 3.162 1.00 0.00 H new ATOM 0 HA MET A 59 5.928 -0.995 1.955 1.00 0.00 H new ATOM 0 HB2 MET A 59 8.131 0.764 0.885 1.00 0.00 H new ATOM 0 HB3 MET A 59 7.138 -0.345 -0.040 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.470 1.452 1.548 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.597 2.369 0.567 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.105 2.557 -2.785 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.581 3.489 -1.346 1.00 0.00 H new ATOM 0 HE3 MET A 59 6.713 2.316 -2.060 1.00 0.00 H new ATOM 911 N GLN A 60 8.874 -1.566 3.168 1.00 0.00 N ATOM 912 CA GLN A 60 9.832 -2.631 3.444 1.00 0.00 C ATOM 913 C GLN A 60 9.096 -3.960 3.631 1.00 0.00 C ATOM 914 O GLN A 60 9.460 -4.955 3.000 1.00 0.00 O ATOM 915 CB GLN A 60 10.760 -2.266 4.616 1.00 0.00 C ATOM 916 CG GLN A 60 10.210 -2.574 6.019 1.00 0.00 C ATOM 917 CD GLN A 60 11.006 -1.882 7.122 1.00 0.00 C ATOM 918 OE1 GLN A 60 12.216 -1.702 7.012 1.00 0.00 O ATOM 919 NE2 GLN A 60 10.316 -1.489 8.195 1.00 0.00 N ATOM 0 H GLN A 60 9.015 -0.729 3.733 1.00 0.00 H new ATOM 0 HA GLN A 60 10.493 -2.753 2.586 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.702 -2.799 4.490 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.986 -1.201 4.559 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.168 -2.259 6.075 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.227 -3.651 6.184 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.311 -1.658 8.246 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.793 -1.019 8.964 1.00 0.00 H new ATOM 928 N TRP A 61 8.022 -3.965 4.421 1.00 0.00 N ATOM 929 CA TRP A 61 7.316 -5.197 4.693 1.00 0.00 C ATOM 930 C TRP A 61 6.569 -5.689 3.453 1.00 0.00 C ATOM 931 O TRP A 61 6.497 -6.889 3.246 1.00 0.00 O ATOM 932 CB TRP A 61 6.345 -4.877 5.839 1.00 0.00 C ATOM 933 CG TRP A 61 5.141 -5.745 5.896 1.00 0.00 C ATOM 934 CD1 TRP A 61 5.069 -7.030 6.306 1.00 0.00 C ATOM 935 CD2 TRP A 61 3.830 -5.394 5.410 1.00 0.00 C ATOM 936 NE1 TRP A 61 3.786 -7.499 6.111 1.00 0.00 N ATOM 937 CE2 TRP A 61 2.981 -6.520 5.559 1.00 0.00 C ATOM 938 CE3 TRP A 61 3.286 -4.226 4.847 1.00 0.00 C ATOM 939 CZ2 TRP A 61 1.632 -6.474 5.202 1.00 0.00 C ATOM 940 CZ3 TRP A 61 1.923 -4.151 4.523 1.00 0.00 C ATOM 941 CH2 TRP A 61 1.096 -5.271 4.707 1.00 0.00 C ATOM 0 H TRP A 61 7.633 -3.138 4.874 1.00 0.00 H new ATOM 0 HA TRP A 61 8.002 -5.998 4.967 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.881 -4.960 6.784 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.024 -3.840 5.745 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.887 -7.600 6.721 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.473 -8.442 6.343 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.926 -3.376 4.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 1.008 -7.350 5.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.510 -3.233 4.132 1.00 0.00 H new ATOM 0 HH2 TRP A 61 0.045 -5.209 4.468 1.00 0.00 H new ATOM 952 N LEU A 62 6.016 -4.780 2.631 1.00 0.00 N ATOM 953 CA LEU A 62 5.320 -5.154 1.396 1.00 0.00 C ATOM 954 C LEU A 62 6.266 -5.945 0.480 1.00 0.00 C ATOM 955 O LEU A 62 5.868 -6.983 -0.047 1.00 0.00 O ATOM 956 CB LEU A 62 4.738 -3.913 0.673 1.00 0.00 C ATOM 957 CG LEU A 62 3.442 -3.329 1.287 1.00 0.00 C ATOM 958 CD1 LEU A 62 3.352 -1.801 1.186 1.00 0.00 C ATOM 959 CD2 LEU A 62 2.168 -3.883 0.642 1.00 0.00 C ATOM 0 H LEU A 62 6.040 -3.775 2.805 1.00 0.00 H new ATOM 0 HA LEU A 62 4.476 -5.793 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.498 -3.132 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.539 -4.179 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 62 3.505 -3.633 2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.419 -1.461 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.194 -1.351 1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.379 -1.503 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.295 -3.435 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.165 -3.645 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.136 -4.965 0.771 1.00 0.00 H new ATOM 971 N LYS A 63 7.517 -5.488 0.319 1.00 0.00 N ATOM 972 CA LYS A 63 8.515 -6.155 -0.519 1.00 0.00 C ATOM 973 C LYS A 63 9.299 -7.255 0.221 1.00 0.00 C ATOM 974 O LYS A 63 10.177 -7.872 -0.381 1.00 0.00 O ATOM 975 CB LYS A 63 9.441 -5.106 -1.160 1.00 0.00 C ATOM 976 CG LYS A 63 10.507 -4.559 -0.200 1.00 0.00 C ATOM 977 CD LYS A 63 10.615 -3.031 -0.176 1.00 0.00 C ATOM 978 CE LYS A 63 10.957 -2.411 -1.531 1.00 0.00 C ATOM 979 NZ LYS A 63 11.519 -1.060 -1.352 1.00 0.00 N ATOM 0 H LYS A 63 7.863 -4.641 0.770 1.00 0.00 H new ATOM 0 HA LYS A 63 7.981 -6.681 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.936 -5.550 -2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.837 -4.277 -1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.286 -4.911 0.808 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.476 -4.975 -0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.670 -2.616 0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.378 -2.742 0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.673 -3.043 -2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.062 -2.360 -2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.746 -0.653 -2.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.823 -0.456 -0.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.385 -1.117 -0.778 1.00 0.00 H new ATOM 993 N SER A 64 9.001 -7.496 1.507 1.00 0.00 N ATOM 994 CA SER A 64 9.664 -8.485 2.356 1.00 0.00 C ATOM 995 C SER A 64 8.694 -9.590 2.788 1.00 0.00 C ATOM 996 O SER A 64 9.143 -10.626 3.274 1.00 0.00 O ATOM 997 CB SER A 64 10.266 -7.783 3.582 1.00 0.00 C ATOM 998 OG SER A 64 10.982 -8.690 4.394 1.00 0.00 O ATOM 0 H SER A 64 8.265 -6.987 1.997 1.00 0.00 H new ATOM 0 HA SER A 64 10.461 -8.958 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.930 -6.982 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.470 -7.320 4.165 1.00 0.00 H new ATOM 0 HG SER A 64 10.686 -9.604 4.202 1.00 0.00 H new ATOM 1004 N GLY A 65 7.380 -9.374 2.632 1.00 0.00 N ATOM 1005 CA GLY A 65 6.348 -10.312 3.037 1.00 0.00 C ATOM 1006 C GLY A 65 6.564 -11.662 2.365 1.00 0.00 C ATOM 1007 O GLY A 65 6.696 -12.674 3.049 1.00 0.00 O ATOM 0 H GLY A 65 7.008 -8.523 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.361 -10.432 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.366 -9.919 2.772 1.00 0.00 H new ATOM 1011 N GLY A 66 6.628 -11.656 1.028 1.00 0.00 N ATOM 1012 CA GLY A 66 6.925 -12.844 0.236 1.00 0.00 C ATOM 1013 C GLY A 66 5.967 -13.992 0.575 1.00 0.00 C ATOM 1014 O GLY A 66 6.384 -14.995 1.152 1.00 0.00 O ATOM 0 H GLY A 66 6.473 -10.819 0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.849 -12.605 -0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.952 -13.159 0.419 1.00 0.00 H new ATOM 1018 N PRO A 67 4.680 -13.840 0.243 1.00 0.00 N ATOM 1019 CA PRO A 67 3.619 -14.776 0.588 1.00 0.00 C ATOM 1020 C PRO A 67 3.775 -16.090 -0.183 1.00 0.00 C ATOM 1021 O PRO A 67 4.048 -16.085 -1.382 1.00 0.00 O ATOM 1022 CB PRO A 67 2.323 -14.061 0.207 1.00 0.00 C ATOM 1023 CG PRO A 67 2.783 -13.178 -0.954 1.00 0.00 C ATOM 1024 CD PRO A 67 4.169 -12.734 -0.539 1.00 0.00 C ATOM 0 HA PRO A 67 3.638 -15.045 1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.544 -14.761 -0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.922 -13.474 1.033 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.804 -13.730 -1.893 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.117 -12.328 -1.099 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.799 -12.535 -1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.134 -11.815 0.047 1.00 0.00 H new ATOM 1032 N ARG A 68 3.592 -17.217 0.515 1.00 0.00 N ATOM 1033 CA ARG A 68 3.726 -18.555 -0.051 1.00 0.00 C ATOM 1034 C ARG A 68 2.473 -18.970 -0.827 1.00 0.00 C ATOM 1035 O ARG A 68 2.577 -19.640 -1.852 1.00 0.00 O ATOM 1036 CB ARG A 68 4.084 -19.563 1.053 1.00 0.00 C ATOM 1037 CG ARG A 68 2.994 -19.728 2.123 1.00 0.00 C ATOM 1038 CD ARG A 68 3.462 -20.660 3.252 1.00 0.00 C ATOM 1039 NE ARG A 68 3.144 -20.107 4.576 1.00 0.00 N ATOM 1040 CZ ARG A 68 1.912 -19.987 5.101 1.00 0.00 C ATOM 1041 NH1 ARG A 68 0.837 -20.452 4.450 1.00 0.00 N ATOM 1042 NH2 ARG A 68 1.761 -19.388 6.289 1.00 0.00 N ATOM 0 H ARG A 68 3.343 -17.220 1.504 1.00 0.00 H new ATOM 0 HA ARG A 68 4.542 -18.543 -0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.280 -20.533 0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.008 -19.245 1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.735 -18.753 2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.090 -20.131 1.666 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.987 -21.635 3.140 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.537 -20.818 3.172 1.00 0.00 H new ATOM 0 HE ARG A 68 3.926 -19.786 5.147 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.947 -20.905 3.543 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.091 -20.353 4.862 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.576 -19.028 6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.831 -19.291 6.697 1.00 0.00 H new ATOM 1056 N SER A 69 1.290 -18.583 -0.331 1.00 0.00 N ATOM 1057 CA SER A 69 0.004 -18.937 -0.920 1.00 0.00 C ATOM 1058 C SER A 69 -0.320 -18.031 -2.109 1.00 0.00 C ATOM 1059 O SER A 69 -0.919 -18.473 -3.088 1.00 0.00 O ATOM 1060 CB SER A 69 -1.094 -18.883 0.150 1.00 0.00 C ATOM 1061 OG SER A 69 -1.814 -20.098 0.185 1.00 0.00 O ATOM 0 H SER A 69 1.205 -18.005 0.505 1.00 0.00 H new ATOM 0 HA SER A 69 0.057 -19.957 -1.300 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.649 -18.689 1.126 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.774 -18.057 -0.060 1.00 0.00 H new ATOM 0 HG SER A 69 -2.509 -20.047 0.874 1.00 0.00 H new ATOM 1067 N ALA A 70 0.074 -16.759 -2.006 1.00 0.00 N ATOM 1068 CA ALA A 70 -0.123 -15.745 -3.025 1.00 0.00 C ATOM 1069 C ALA A 70 0.952 -15.870 -4.108 1.00 0.00 C ATOM 1070 O ALA A 70 1.955 -16.558 -3.914 1.00 0.00 O ATOM 1071 CB ALA A 70 -0.018 -14.380 -2.349 1.00 0.00 C ATOM 0 H ALA A 70 0.554 -16.403 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.098 -15.867 -3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.162 -13.595 -3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.784 -14.296 -1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.967 -14.274 -1.895 1.00 0.00 H new ATOM 1077 N ARG A 71 0.753 -15.176 -5.233 1.00 0.00 N ATOM 1078 CA ARG A 71 1.681 -15.146 -6.353 1.00 0.00 C ATOM 1079 C ARG A 71 2.032 -13.688 -6.656 1.00 0.00 C ATOM 1080 O ARG A 71 1.425 -13.088 -7.536 1.00 0.00 O ATOM 1081 CB ARG A 71 1.023 -15.850 -7.553 1.00 0.00 C ATOM 1082 CG ARG A 71 2.064 -16.319 -8.576 1.00 0.00 C ATOM 1083 CD ARG A 71 1.420 -16.551 -9.949 1.00 0.00 C ATOM 1084 NE ARG A 71 2.108 -17.616 -10.694 1.00 0.00 N ATOM 1085 CZ ARG A 71 1.867 -18.932 -10.553 1.00 0.00 C ATOM 1086 NH1 ARG A 71 0.923 -19.373 -9.708 1.00 0.00 N ATOM 1087 NH2 ARG A 71 2.581 -19.817 -11.261 1.00 0.00 N ATOM 0 H ARG A 71 -0.080 -14.608 -5.387 1.00 0.00 H new ATOM 0 HA ARG A 71 2.607 -15.672 -6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.447 -16.706 -7.202 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.321 -15.169 -8.034 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.855 -15.574 -8.663 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.531 -17.241 -8.229 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.371 -16.816 -9.820 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.447 -15.626 -10.526 1.00 0.00 H new ATOM 0 HE ARG A 71 2.821 -17.336 -11.368 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.376 -18.707 -9.162 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.752 -20.374 -9.612 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.304 -19.492 -11.903 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.402 -20.816 -11.158 1.00 0.00 H new ATOM 1101 N VAL A 72 3.000 -13.113 -5.931 1.00 0.00 N ATOM 1102 CA VAL A 72 3.467 -11.745 -6.156 1.00 0.00 C ATOM 1103 C VAL A 72 4.236 -11.699 -7.481 1.00 0.00 C ATOM 1104 O VAL A 72 5.445 -11.924 -7.505 1.00 0.00 O ATOM 1105 CB VAL A 72 4.331 -11.267 -4.969 1.00 0.00 C ATOM 1106 CG1 VAL A 72 4.875 -9.843 -5.164 1.00 0.00 C ATOM 1107 CG2 VAL A 72 3.512 -11.256 -3.675 1.00 0.00 C ATOM 0 H VAL A 72 3.482 -13.589 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 72 2.618 -11.064 -6.222 1.00 0.00 H new ATOM 0 HB VAL A 72 5.163 -11.969 -4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.475 -9.561 -4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.494 -9.810 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.043 -9.147 -5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.139 -10.916 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.663 -10.581 -3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.150 -12.262 -3.465 1.00 0.00 H new ATOM 1117 N GLU A 73 3.529 -11.413 -8.582 1.00 0.00 N ATOM 1118 CA GLU A 73 4.127 -11.289 -9.904 1.00 0.00 C ATOM 1119 C GLU A 73 5.123 -10.131 -9.942 1.00 0.00 C ATOM 1120 O GLU A 73 6.295 -10.335 -10.259 1.00 0.00 O ATOM 1121 CB GLU A 73 3.042 -11.134 -10.985 1.00 0.00 C ATOM 1122 CG GLU A 73 3.354 -11.950 -12.242 1.00 0.00 C ATOM 1123 CD GLU A 73 2.411 -11.566 -13.378 1.00 0.00 C ATOM 1124 OE1 GLU A 73 1.190 -11.767 -13.195 1.00 0.00 O ATOM 1125 OE2 GLU A 73 2.928 -11.064 -14.400 1.00 0.00 O ATOM 0 H GLU A 73 2.520 -11.261 -8.573 1.00 0.00 H new ATOM 0 HA GLU A 73 4.676 -12.206 -10.118 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.081 -11.449 -10.579 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.946 -10.082 -11.252 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.387 -11.780 -12.546 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.257 -13.014 -12.025 1.00 0.00 H new ATOM 1132 N ARG A 74 4.653 -8.917 -9.626 1.00 0.00 N ATOM 1133 CA ARG A 74 5.455 -7.701 -9.657 1.00 0.00 C ATOM 1134 C ARG A 74 4.693 -6.566 -8.969 1.00 0.00 C ATOM 1135 O ARG A 74 3.534 -6.743 -8.600 1.00 0.00 O ATOM 1136 CB ARG A 74 5.771 -7.322 -11.116 1.00 0.00 C ATOM 1137 CG ARG A 74 7.215 -6.826 -11.298 1.00 0.00 C ATOM 1138 CD ARG A 74 8.066 -7.874 -12.025 1.00 0.00 C ATOM 1139 NE ARG A 74 7.552 -8.098 -13.385 1.00 0.00 N ATOM 1140 CZ ARG A 74 7.799 -9.166 -14.160 1.00 0.00 C ATOM 1141 NH1 ARG A 74 8.634 -10.136 -13.760 1.00 0.00 N ATOM 1142 NH2 ARG A 74 7.197 -9.258 -15.353 1.00 0.00 N ATOM 0 H ARG A 74 3.688 -8.757 -9.338 1.00 0.00 H new ATOM 0 HA ARG A 74 6.392 -7.871 -9.127 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.605 -8.188 -11.757 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.080 -6.545 -11.444 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.215 -5.895 -11.865 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.654 -6.607 -10.325 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.103 -7.541 -12.071 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.056 -8.810 -11.467 1.00 0.00 H new ATOM 0 HE ARG A 74 6.951 -7.373 -13.776 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.095 -10.070 -12.852 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.809 -10.940 -14.363 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.561 -8.523 -15.661 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.375 -10.063 -15.953 1.00 0.00 H new ATOM 1156 N VAL A 75 5.342 -5.404 -8.802 1.00 0.00 N ATOM 1157 CA VAL A 75 4.750 -4.227 -8.170 1.00 0.00 C ATOM 1158 C VAL A 75 5.188 -2.955 -8.914 1.00 0.00 C ATOM 1159 O VAL A 75 6.388 -2.757 -9.099 1.00 0.00 O ATOM 1160 CB VAL A 75 5.160 -4.175 -6.684 1.00 0.00 C ATOM 1161 CG1 VAL A 75 4.384 -3.072 -5.948 1.00 0.00 C ATOM 1162 CG2 VAL A 75 4.876 -5.507 -5.973 1.00 0.00 C ATOM 0 H VAL A 75 6.304 -5.259 -9.108 1.00 0.00 H new ATOM 0 HA VAL A 75 3.663 -4.290 -8.223 1.00 0.00 H new ATOM 0 HB VAL A 75 6.230 -3.970 -6.660 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.687 -3.051 -4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.599 -2.107 -6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.315 -3.274 -6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.177 -5.433 -4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.810 -5.729 -6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.438 -6.305 -6.457 1.00 0.00 H new ATOM 1172 N LEU A 76 4.242 -2.096 -9.328 1.00 0.00 N ATOM 1173 CA LEU A 76 4.510 -0.811 -9.985 1.00 0.00 C ATOM 1174 C LEU A 76 4.225 0.357 -9.044 1.00 0.00 C ATOM 1175 O LEU A 76 3.422 0.204 -8.131 1.00 0.00 O ATOM 1176 CB LEU A 76 3.619 -0.647 -11.230 1.00 0.00 C ATOM 1177 CG LEU A 76 4.432 -0.453 -12.521 1.00 0.00 C ATOM 1178 CD1 LEU A 76 5.224 -1.701 -12.939 1.00 0.00 C ATOM 1179 CD2 LEU A 76 3.477 -0.028 -13.640 1.00 0.00 C ATOM 0 H LEU A 76 3.246 -2.283 -9.211 1.00 0.00 H new ATOM 0 HA LEU A 76 5.562 -0.807 -10.269 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.983 -1.526 -11.335 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.959 0.209 -11.089 1.00 0.00 H new ATOM 0 HG LEU A 76 5.176 0.320 -12.330 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.774 -1.493 -13.857 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.926 -1.968 -12.149 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.536 -2.529 -13.108 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.039 0.114 -14.563 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.724 -0.802 -13.789 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.988 0.907 -13.366 1.00 0.00 H new ATOM 1191 N SER A 77 4.862 1.513 -9.294 1.00 0.00 N ATOM 1192 CA SER A 77 4.743 2.719 -8.474 1.00 0.00 C ATOM 1193 C SER A 77 4.633 3.981 -9.340 1.00 0.00 C ATOM 1194 O SER A 77 5.430 4.141 -10.263 1.00 0.00 O ATOM 1195 CB SER A 77 5.972 2.840 -7.556 1.00 0.00 C ATOM 1196 OG SER A 77 6.971 1.882 -7.851 1.00 0.00 O ATOM 0 H SER A 77 5.487 1.632 -10.091 1.00 0.00 H new ATOM 0 HA SER A 77 3.833 2.633 -7.880 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.394 3.840 -7.651 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.658 2.724 -6.519 1.00 0.00 H new ATOM 0 HG SER A 77 7.730 2.002 -7.242 1.00 0.00 H new ATOM 1202 N GLU A 78 3.692 4.886 -9.024 1.00 0.00 N ATOM 1203 CA GLU A 78 3.453 6.121 -9.786 1.00 0.00 C ATOM 1204 C GLU A 78 3.131 7.303 -8.857 1.00 0.00 C ATOM 1205 O GLU A 78 2.646 7.083 -7.747 1.00 0.00 O ATOM 1206 CB GLU A 78 2.312 5.886 -10.792 1.00 0.00 C ATOM 1207 CG GLU A 78 2.842 5.298 -12.110 1.00 0.00 C ATOM 1208 CD GLU A 78 1.724 4.843 -13.042 1.00 0.00 C ATOM 1209 OE1 GLU A 78 0.884 5.703 -13.389 1.00 0.00 O ATOM 1210 OE2 GLU A 78 1.724 3.640 -13.385 1.00 0.00 O ATOM 0 H GLU A 78 3.069 4.779 -8.223 1.00 0.00 H new ATOM 0 HA GLU A 78 4.363 6.379 -10.327 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.576 5.208 -10.359 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.800 6.827 -10.991 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.451 6.046 -12.618 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.493 4.452 -11.890 1.00 0.00 H new ATOM 1217 N PRO A 79 3.378 8.553 -9.298 1.00 0.00 N ATOM 1218 CA PRO A 79 3.149 9.769 -8.522 1.00 0.00 C ATOM 1219 C PRO A 79 1.652 10.018 -8.319 1.00 0.00 C ATOM 1220 O PRO A 79 0.912 10.130 -9.296 1.00 0.00 O ATOM 1221 CB PRO A 79 3.806 10.895 -9.330 1.00 0.00 C ATOM 1222 CG PRO A 79 3.712 10.396 -10.770 1.00 0.00 C ATOM 1223 CD PRO A 79 3.920 8.891 -10.608 1.00 0.00 C ATOM 0 HA PRO A 79 3.574 9.700 -7.521 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.284 11.842 -9.198 1.00 0.00 H new ATOM 0 HB3 PRO A 79 4.841 11.057 -9.027 1.00 0.00 H new ATOM 0 HG2 PRO A 79 2.746 10.627 -11.218 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.474 10.846 -11.407 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.409 8.339 -11.397 1.00 0.00 H new ATOM 0 HD3 PRO A 79 4.977 8.633 -10.672 1.00 0.00 H new ATOM 1231 N HIS A 80 1.207 10.107 -7.058 1.00 0.00 N ATOM 1232 CA HIS A 80 -0.193 10.313 -6.696 1.00 0.00 C ATOM 1233 C HIS A 80 -0.376 11.672 -6.008 1.00 0.00 C ATOM 1234 O HIS A 80 0.434 12.057 -5.172 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.629 9.160 -5.782 1.00 0.00 C ATOM 1236 CG HIS A 80 -2.105 8.878 -5.783 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -2.761 8.372 -6.892 1.00 0.00 N ATOM 1238 CD2 HIS A 80 -3.008 8.960 -4.755 1.00 0.00 C ATOM 1239 CE1 HIS A 80 -4.034 8.171 -6.515 1.00 0.00 C ATOM 1240 NE2 HIS A 80 -4.227 8.520 -5.232 1.00 0.00 N ATOM 0 H HIS A 80 1.825 10.036 -6.250 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.816 10.320 -7.590 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.101 8.256 -6.084 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.317 9.386 -4.762 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.803 9.306 -3.753 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.805 7.778 -7.161 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.103 8.470 -4.712 1.00 0.00 H new ATOM 1249 N HIS A 81 -1.417 12.428 -6.378 1.00 0.00 N ATOM 1250 CA HIS A 81 -1.639 13.750 -5.796 1.00 0.00 C ATOM 1251 C HIS A 81 -3.133 13.975 -5.529 1.00 0.00 C ATOM 1252 O HIS A 81 -3.765 14.759 -6.236 1.00 0.00 O ATOM 1253 CB HIS A 81 -1.034 14.793 -6.750 1.00 0.00 C ATOM 1254 CG HIS A 81 -0.689 16.107 -6.088 1.00 0.00 C ATOM 1255 ND1 HIS A 81 -1.552 16.789 -5.242 1.00 0.00 N ATOM 1256 CD2 HIS A 81 0.480 16.821 -6.156 1.00 0.00 C ATOM 1257 CE1 HIS A 81 -0.894 17.890 -4.842 1.00 0.00 C ATOM 1258 NE2 HIS A 81 0.337 17.950 -5.375 1.00 0.00 N ATOM 0 H HIS A 81 -2.111 12.147 -7.071 1.00 0.00 H new ATOM 0 HA HIS A 81 -1.148 13.841 -4.827 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -0.133 14.378 -7.201 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.738 14.980 -7.560 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.359 16.548 -6.722 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.304 18.634 -4.175 1.00 0.00 H new ATOM 0 HE2 HIS A 81 1.030 18.685 -5.231 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.721 13.298 -4.529 1.00 0.00 N ATOM 1268 CA PRO A 82 -5.148 13.353 -4.256 1.00 0.00 C ATOM 1269 C PRO A 82 -5.534 14.744 -3.748 1.00 0.00 C ATOM 1270 O PRO A 82 -4.824 15.325 -2.929 1.00 0.00 O ATOM 1271 CB PRO A 82 -5.405 12.260 -3.212 1.00 0.00 C ATOM 1272 CG PRO A 82 -4.072 12.161 -2.472 1.00 0.00 C ATOM 1273 CD PRO A 82 -3.050 12.437 -3.576 1.00 0.00 C ATOM 0 HA PRO A 82 -5.754 13.182 -5.146 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.219 12.529 -2.540 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.677 11.313 -3.679 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.002 12.890 -1.665 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.929 11.177 -2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.160 12.919 -3.173 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.724 11.510 -4.048 1.00 0.00 H new ATOM 1281 N SER A 83 -6.649 15.280 -4.258 1.00 0.00 N ATOM 1282 CA SER A 83 -7.162 16.588 -3.870 1.00 0.00 C ATOM 1283 C SER A 83 -7.579 16.594 -2.397 1.00 0.00 C ATOM 1284 O SER A 83 -8.076 15.592 -1.883 1.00 0.00 O ATOM 1285 CB SER A 83 -8.330 16.991 -4.777 1.00 0.00 C ATOM 1286 OG SER A 83 -9.355 16.019 -4.751 1.00 0.00 O ATOM 0 H SER A 83 -7.222 14.809 -4.958 1.00 0.00 H new ATOM 0 HA SER A 83 -6.366 17.323 -3.992 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.729 17.953 -4.455 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.973 17.120 -5.799 1.00 0.00 H new ATOM 0 HG SER A 83 -10.088 16.301 -5.336 1.00 0.00 H new ATOM 1292 N GLY A 84 -7.356 17.730 -1.725 1.00 0.00 N ATOM 1293 CA GLY A 84 -7.601 17.900 -0.300 1.00 0.00 C ATOM 1294 C GLY A 84 -6.641 17.069 0.550 1.00 0.00 C ATOM 1295 O GLY A 84 -5.899 16.229 0.042 1.00 0.00 O ATOM 0 H GLY A 84 -6.992 18.571 -2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.498 18.953 -0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.628 17.613 -0.072 1.00 0.00 H new ATOM 1299 N GLU A 85 -6.671 17.314 1.863 1.00 0.00 N ATOM 1300 CA GLU A 85 -5.885 16.554 2.823 1.00 0.00 C ATOM 1301 C GLU A 85 -6.672 15.309 3.238 1.00 0.00 C ATOM 1302 O GLU A 85 -7.880 15.378 3.460 1.00 0.00 O ATOM 1303 CB GLU A 85 -5.462 17.438 4.008 1.00 0.00 C ATOM 1304 CG GLU A 85 -6.592 17.755 4.998 1.00 0.00 C ATOM 1305 CD GLU A 85 -6.119 18.634 6.155 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -5.232 19.482 5.914 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -6.656 18.441 7.268 1.00 0.00 O ATOM 0 H GLU A 85 -7.243 18.046 2.284 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.955 16.215 2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.653 16.942 4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.061 18.375 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.403 18.257 4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.997 16.824 5.394 1.00 0.00 H new ATOM 1314 N LEU A 86 -5.985 14.167 3.321 1.00 0.00 N ATOM 1315 CA LEU A 86 -6.567 12.911 3.773 1.00 0.00 C ATOM 1316 C LEU A 86 -6.680 12.919 5.301 1.00 0.00 C ATOM 1317 O LEU A 86 -5.874 13.553 5.980 1.00 0.00 O ATOM 1318 CB LEU A 86 -5.699 11.745 3.273 1.00 0.00 C ATOM 1319 CG LEU A 86 -6.366 10.828 2.234 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -6.896 11.578 1.006 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -5.343 9.799 1.746 1.00 0.00 C ATOM 0 H LEU A 86 -4.999 14.093 3.072 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.570 12.788 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.786 12.153 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.403 11.140 4.130 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.216 10.363 2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.353 10.869 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.640 12.310 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.072 12.089 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.808 9.145 1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.497 10.314 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.994 9.204 2.590 1.00 0.00 H new ATOM 1333 N THR A 87 -7.680 12.207 5.833 1.00 0.00 N ATOM 1334 CA THR A 87 -7.919 12.072 7.261 1.00 0.00 C ATOM 1335 C THR A 87 -6.955 11.022 7.809 1.00 0.00 C ATOM 1336 O THR A 87 -5.937 11.377 8.401 1.00 0.00 O ATOM 1337 CB THR A 87 -9.400 11.718 7.521 1.00 0.00 C ATOM 1338 OG1 THR A 87 -9.988 11.125 6.376 1.00 0.00 O ATOM 1339 CG2 THR A 87 -10.200 12.962 7.920 1.00 0.00 C ATOM 0 H THR A 87 -8.357 11.700 5.263 1.00 0.00 H new ATOM 0 HA THR A 87 -7.733 13.012 7.780 1.00 0.00 H new ATOM 0 HB THR A 87 -9.425 11.003 8.343 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.925 10.908 6.565 1.00 0.00 H new ATOM 0 HG21 THR A 87 -11.239 12.685 8.097 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.778 13.390 8.830 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.153 13.698 7.117 1.00 0.00 H new ATOM 1347 N ASP A 88 -7.280 9.739 7.611 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.531 8.624 8.181 1.00 0.00 C ATOM 1349 C ASP A 88 -6.522 7.427 7.228 1.00 0.00 C ATOM 1350 O ASP A 88 -7.323 7.362 6.294 1.00 0.00 O ATOM 1351 CB ASP A 88 -7.099 8.267 9.565 1.00 0.00 C ATOM 1352 CG ASP A 88 -8.324 7.358 9.507 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -9.350 7.813 8.956 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -8.210 6.226 10.024 1.00 0.00 O ATOM 0 H ASP A 88 -8.077 9.448 7.045 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.491 8.921 8.316 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.322 7.778 10.152 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.363 9.186 10.088 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.610 6.479 7.469 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.503 5.257 6.686 1.00 0.00 C ATOM 1361 C PHE A 89 -6.640 4.293 7.032 1.00 0.00 C ATOM 1362 O PHE A 89 -7.040 4.197 8.190 1.00 0.00 O ATOM 1363 CB PHE A 89 -4.132 4.609 6.899 1.00 0.00 C ATOM 1364 CG PHE A 89 -3.963 3.251 6.244 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -4.384 2.094 6.926 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -3.451 3.143 4.936 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -4.354 0.849 6.280 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -3.375 1.885 4.312 1.00 0.00 C ATOM 1369 CZ PHE A 89 -3.861 0.745 4.972 1.00 0.00 C ATOM 0 H PHE A 89 -4.923 6.545 8.220 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.595 5.507 5.629 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.364 5.281 6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.957 4.505 7.970 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.730 2.165 7.947 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.117 4.026 4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.712 -0.032 6.792 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.943 1.796 3.326 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.855 -0.212 4.472 1.00 0.00 H new ATOM 1379 N ARG A 90 -7.141 3.561 6.029 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.241 2.615 6.201 1.00 0.00 C ATOM 1381 C ARG A 90 -8.236 1.580 5.075 1.00 0.00 C ATOM 1382 O ARG A 90 -7.366 1.610 4.210 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.575 3.373 6.322 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.874 4.268 5.112 1.00 0.00 C ATOM 1385 CD ARG A 90 -10.992 5.263 5.438 1.00 0.00 C ATOM 1386 NE ARG A 90 -11.182 6.206 4.327 1.00 0.00 N ATOM 1387 CZ ARG A 90 -11.713 7.438 4.418 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -12.187 7.908 5.581 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -11.769 8.206 3.322 1.00 0.00 N ATOM 0 H ARG A 90 -6.790 3.612 5.073 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.109 2.060 7.130 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.385 2.653 6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.557 3.986 7.223 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.973 4.808 4.821 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.165 3.652 4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.921 4.726 5.629 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.746 5.809 6.349 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.884 5.898 3.402 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.149 7.328 6.419 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.586 8.846 5.628 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.412 7.854 2.434 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.169 9.143 3.376 1.00 0.00 H new ATOM 1403 N ILE A 91 -9.189 0.642 5.095 1.00 0.00 N ATOM 1404 CA ILE A 91 -9.301 -0.412 4.096 1.00 0.00 C ATOM 1405 C ILE A 91 -10.778 -0.757 3.888 1.00 0.00 C ATOM 1406 O ILE A 91 -11.568 -0.696 4.829 1.00 0.00 O ATOM 1407 CB ILE A 91 -8.423 -1.613 4.506 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -8.311 -2.665 3.388 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -8.828 -2.221 5.856 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -9.385 -3.754 3.394 1.00 0.00 C ATOM 0 H ILE A 91 -9.909 0.598 5.816 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.923 -0.080 3.129 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.419 -1.215 4.655 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.345 -2.152 2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.334 -3.143 3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.173 -3.061 6.088 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.739 -1.465 6.637 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -9.860 -2.569 5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.211 -4.441 2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.342 -4.302 4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.368 -3.296 3.285 1.00 0.00 H new ATOM 1422 N ARG A 92 -11.140 -1.083 2.640 1.00 0.00 N ATOM 1423 CA ARG A 92 -12.503 -1.423 2.232 1.00 0.00 C ATOM 1424 C ARG A 92 -13.072 -2.668 2.929 1.00 0.00 C ATOM 1425 O ARG A 92 -14.034 -2.490 3.707 1.00 0.00 O ATOM 1426 CB ARG A 92 -12.576 -1.538 0.704 1.00 0.00 C ATOM 1427 CG ARG A 92 -11.575 -2.540 0.094 1.00 0.00 C ATOM 1428 CD ARG A 92 -12.199 -3.809 -0.498 1.00 0.00 C ATOM 1429 NE ARG A 92 -13.304 -3.525 -1.426 1.00 0.00 N ATOM 1430 CZ ARG A 92 -13.194 -3.068 -2.684 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -11.992 -2.865 -3.241 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -14.303 -2.810 -3.388 1.00 0.00 N ATOM 1433 OXT ARG A 92 -12.577 -3.784 2.659 1.00 0.00 O ATOM 0 H ARG A 92 -10.473 -1.117 1.869 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.145 -0.606 2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.586 -1.834 0.422 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.399 -0.555 0.269 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.010 -2.033 -0.688 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.862 -2.831 0.865 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.429 -4.376 -1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.565 -4.440 0.312 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.249 -3.692 -1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.144 -3.058 -2.708 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.925 -2.518 -4.198 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.220 -2.961 -2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.231 -2.463 -4.344 1.00 0.00 H new TER 1447 ARG A 92