USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 566 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 15 ASN : amide:sc= 0.194 K(o=0.85,f=-3.9!) USER MOD Set 1.2: A 28 TYR OH : rot 19:sc= 0.652 USER MOD Single : A 18 CYS SG : rot 70:sc= -0.79 USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= 1.08 (180deg=0.693) USER MOD Single : A 22 ASN : amide:sc= -0.664 X(o=-0.66,f=-0.28) USER MOD Single : A 25 MET CE :methyl -170:sc= -0.0474 (180deg=-0.28) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0863 X(o=-0.086,f=-0.023) USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= 0.445 (180deg=0.402) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.488 K(o=-0.49,f=-2.2) USER MOD Single : A 50 THR OG1 : rot -21:sc= 0.675 USER MOD Single : A 51 SER OG : rot 180:sc= 0.853 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.944 USER MOD Single : A 59 CYS SG : rot -140:sc= -0.744 USER MOD Single : A 64 MET CE :methyl -154:sc= -0.529 (180deg=-1.05) USER MOD Single : A 66 SER OG : rot 180:sc= -0.1 USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= -0.0392 (180deg=-0.283) USER MOD Single : A 69 LYS NZ :NH3+ -115:sc= -0.228 (180deg=-1.56) USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= -0.0128 (180deg=-0.177) USER MOD Single : A 73 SER OG : rot 120:sc= 0.777 USER MOD Single : A 83 ASN : amide:sc= -0.091 X(o=-0.091,f=-0.21) USER MOD Single : A 84 LYS NZ :NH3+ -168:sc= -0.0247 (180deg=-0.199) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 15 -5.492 4.996 5.030 1.00 0.92 N ATOM 2 CA ASN A 15 -6.389 4.152 5.855 1.00 0.85 C ATOM 3 C ASN A 15 -7.746 4.809 6.069 1.00 0.80 C ATOM 4 O ASN A 15 -8.717 4.127 6.384 1.00 0.75 O ATOM 5 CB ASN A 15 -5.739 3.846 7.207 1.00 0.93 C ATOM 6 CG ASN A 15 -4.547 2.925 7.067 1.00 1.63 C ATOM 7 OD1 ASN A 15 -4.487 2.122 6.145 1.00 2.49 O ATOM 8 ND2 ASN A 15 -3.596 3.029 7.981 1.00 1.95 N ATOM 0 HA ASN A 15 -6.550 3.221 5.312 1.00 0.85 H new ATOM 0 HB2 ASN A 15 -5.424 4.778 7.677 1.00 0.93 H new ATOM 0 HB3 ASN A 15 -6.475 3.388 7.868 1.00 0.93 H new ATOM 0 HD21 ASN A 15 -2.774 2.427 7.933 1.00 1.95 H new ATOM 0 HD22 ASN A 15 -3.685 3.712 8.734 1.00 1.95 H new ATOM 17 N ASP A 16 -7.833 6.122 5.871 1.00 0.85 N ATOM 18 CA ASP A 16 -9.067 6.851 6.151 1.00 0.87 C ATOM 19 C ASP A 16 -10.160 6.506 5.140 1.00 0.75 C ATOM 20 O ASP A 16 -11.331 6.389 5.501 1.00 0.74 O ATOM 21 CB ASP A 16 -8.813 8.364 6.185 1.00 1.00 C ATOM 22 CG ASP A 16 -8.230 8.908 4.897 1.00 1.63 C ATOM 23 OD1 ASP A 16 -7.107 8.516 4.535 1.00 2.46 O ATOM 24 OD2 ASP A 16 -8.908 9.717 4.224 1.00 1.81 O ATOM 0 H ASP A 16 -7.069 6.700 5.520 1.00 0.85 H new ATOM 0 HA ASP A 16 -9.417 6.542 7.136 1.00 0.87 H new ATOM 0 HB2 ASP A 16 -9.751 8.877 6.395 1.00 1.00 H new ATOM 0 HB3 ASP A 16 -8.134 8.592 7.007 1.00 1.00 H new ATOM 29 N ILE A 17 -9.774 6.319 3.881 1.00 0.70 N ATOM 30 CA ILE A 17 -10.717 5.874 2.859 1.00 0.64 C ATOM 31 C ILE A 17 -11.228 4.473 3.195 1.00 0.57 C ATOM 32 O ILE A 17 -12.419 4.181 3.088 1.00 0.57 O ATOM 33 CB ILE A 17 -10.095 5.865 1.439 1.00 0.65 C ATOM 34 CG1 ILE A 17 -9.859 7.290 0.935 1.00 0.74 C ATOM 35 CG2 ILE A 17 -10.991 5.121 0.461 1.00 0.65 C ATOM 36 CD1 ILE A 17 -8.704 7.990 1.601 1.00 0.80 C ATOM 0 H ILE A 17 -8.822 6.467 3.545 1.00 0.70 H new ATOM 0 HA ILE A 17 -11.541 6.588 2.855 1.00 0.64 H new ATOM 0 HB ILE A 17 -9.136 5.351 1.504 1.00 0.65 H new ATOM 0 HG12 ILE A 17 -9.682 7.260 -0.140 1.00 0.74 H new ATOM 0 HG13 ILE A 17 -10.765 7.875 1.092 1.00 0.74 H new ATOM 0 HG21 ILE A 17 -10.534 5.128 -0.529 1.00 0.65 H new ATOM 0 HG22 ILE A 17 -11.118 4.091 0.795 1.00 0.65 H new ATOM 0 HG23 ILE A 17 -11.964 5.610 0.415 1.00 0.65 H new ATOM 0 HD11 ILE A 17 -8.601 8.994 1.190 1.00 0.80 H new ATOM 0 HD12 ILE A 17 -8.887 8.054 2.674 1.00 0.80 H new ATOM 0 HD13 ILE A 17 -7.787 7.429 1.422 1.00 0.80 H new ATOM 48 N CYS A 18 -10.305 3.631 3.642 1.00 0.55 N ATOM 49 CA CYS A 18 -10.609 2.250 3.986 1.00 0.51 C ATOM 50 C CYS A 18 -11.556 2.201 5.179 1.00 0.53 C ATOM 51 O CYS A 18 -12.521 1.436 5.201 1.00 0.51 O ATOM 52 CB CYS A 18 -9.305 1.523 4.317 1.00 0.52 C ATOM 53 SG CYS A 18 -7.977 1.842 3.131 1.00 1.35 S ATOM 0 H CYS A 18 -9.327 3.887 3.776 1.00 0.55 H new ATOM 0 HA CYS A 18 -11.096 1.762 3.142 1.00 0.51 H new ATOM 0 HB2 CYS A 18 -8.973 1.824 5.311 1.00 0.52 H new ATOM 0 HB3 CYS A 18 -9.496 0.451 4.356 1.00 0.52 H new ATOM 0 HG CYS A 18 -7.572 3.071 3.253 1.00 1.35 H new ATOM 59 N LEU A 19 -11.267 3.047 6.154 1.00 0.58 N ATOM 60 CA LEU A 19 -12.064 3.152 7.363 1.00 0.63 C ATOM 61 C LEU A 19 -13.491 3.563 7.021 1.00 0.63 C ATOM 62 O LEU A 19 -14.459 2.921 7.437 1.00 0.63 O ATOM 63 CB LEU A 19 -11.429 4.188 8.284 1.00 0.72 C ATOM 64 CG LEU A 19 -12.018 4.287 9.692 1.00 0.83 C ATOM 65 CD1 LEU A 19 -11.790 2.997 10.465 1.00 1.14 C ATOM 66 CD2 LEU A 19 -11.408 5.468 10.430 1.00 1.16 C ATOM 0 H LEU A 19 -10.470 3.682 6.128 1.00 0.58 H new ATOM 0 HA LEU A 19 -12.096 2.184 7.863 1.00 0.63 H new ATOM 0 HB2 LEU A 19 -10.366 3.963 8.372 1.00 0.72 H new ATOM 0 HB3 LEU A 19 -11.510 5.165 7.809 1.00 0.72 H new ATOM 0 HG LEU A 19 -13.093 4.443 9.608 1.00 0.83 H new ATOM 0 HD11 LEU A 19 -12.217 3.091 11.463 1.00 1.14 H new ATOM 0 HD12 LEU A 19 -12.269 2.170 9.941 1.00 1.14 H new ATOM 0 HD13 LEU A 19 -10.720 2.805 10.545 1.00 1.14 H new ATOM 0 HD21 LEU A 19 -11.834 5.530 11.432 1.00 1.16 H new ATOM 0 HD22 LEU A 19 -10.329 5.334 10.502 1.00 1.16 H new ATOM 0 HD23 LEU A 19 -11.624 6.388 9.886 1.00 1.16 H new ATOM 78 N ARG A 20 -13.605 4.643 6.257 1.00 0.64 N ATOM 79 CA ARG A 20 -14.900 5.165 5.811 1.00 0.65 C ATOM 80 C ARG A 20 -15.701 4.120 5.044 1.00 0.58 C ATOM 81 O ARG A 20 -16.922 4.043 5.167 1.00 0.60 O ATOM 82 CB ARG A 20 -14.685 6.381 4.911 1.00 0.69 C ATOM 83 CG ARG A 20 -15.973 6.962 4.347 1.00 0.82 C ATOM 84 CD ARG A 20 -15.689 8.062 3.342 1.00 1.37 C ATOM 85 NE ARG A 20 -16.892 8.477 2.625 1.00 2.06 N ATOM 86 CZ ARG A 20 -16.895 8.883 1.357 1.00 2.90 C ATOM 87 NH1 ARG A 20 -15.756 8.957 0.680 1.00 3.23 N ATOM 88 NH2 ARG A 20 -18.034 9.220 0.770 1.00 3.84 N ATOM 0 H ARG A 20 -12.806 5.184 5.927 1.00 0.64 H new ATOM 0 HA ARG A 20 -15.463 5.443 6.702 1.00 0.65 H new ATOM 0 HB2 ARG A 20 -14.166 7.154 5.478 1.00 0.69 H new ATOM 0 HB3 ARG A 20 -14.032 6.099 4.085 1.00 0.69 H new ATOM 0 HG2 ARG A 20 -16.552 6.172 3.870 1.00 0.82 H new ATOM 0 HG3 ARG A 20 -16.582 7.358 5.160 1.00 0.82 H new ATOM 0 HD2 ARG A 20 -15.261 8.921 3.858 1.00 1.37 H new ATOM 0 HD3 ARG A 20 -14.943 7.715 2.627 1.00 1.37 H new ATOM 0 HE ARG A 20 -17.781 8.454 3.125 1.00 2.06 H new ATOM 0 HH11 ARG A 20 -14.877 8.703 1.131 1.00 3.23 H new ATOM 0 HH12 ARG A 20 -15.759 9.268 -0.291 1.00 3.23 H new ATOM 0 HH21 ARG A 20 -18.910 9.169 1.290 1.00 3.84 H new ATOM 0 HH22 ARG A 20 -18.035 9.531 -0.201 1.00 3.84 H new ATOM 102 N LYS A 21 -15.004 3.315 4.257 1.00 0.51 N ATOM 103 CA LYS A 21 -15.638 2.299 3.421 1.00 0.46 C ATOM 104 C LYS A 21 -16.156 1.125 4.244 1.00 0.45 C ATOM 105 O LYS A 21 -16.690 0.153 3.702 1.00 0.44 O ATOM 106 CB LYS A 21 -14.642 1.793 2.384 1.00 0.41 C ATOM 107 CG LYS A 21 -14.794 2.442 1.027 1.00 0.52 C ATOM 108 CD LYS A 21 -16.168 2.162 0.458 1.00 0.72 C ATOM 109 CE LYS A 21 -16.283 2.620 -0.988 1.00 0.72 C ATOM 110 NZ LYS A 21 -15.356 1.873 -1.879 1.00 1.10 N ATOM 0 H LYS A 21 -13.988 3.344 4.178 1.00 0.51 H new ATOM 0 HA LYS A 21 -16.492 2.763 2.928 1.00 0.46 H new ATOM 0 HB2 LYS A 21 -13.630 1.968 2.749 1.00 0.41 H new ATOM 0 HB3 LYS A 21 -14.760 0.715 2.276 1.00 0.41 H new ATOM 0 HG2 LYS A 21 -14.641 3.518 1.112 1.00 0.52 H new ATOM 0 HG3 LYS A 21 -14.029 2.064 0.349 1.00 0.52 H new ATOM 0 HD2 LYS A 21 -16.376 1.094 0.519 1.00 0.72 H new ATOM 0 HD3 LYS A 21 -16.922 2.668 1.061 1.00 0.72 H new ATOM 0 HE2 LYS A 21 -17.308 2.483 -1.332 1.00 0.72 H new ATOM 0 HE3 LYS A 21 -16.066 3.686 -1.050 1.00 0.72 H new ATOM 0 HZ1 LYS A 21 -15.622 2.035 -2.871 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -14.383 2.204 -1.723 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -15.414 0.857 -1.667 1.00 1.10 H new ATOM 124 N ASN A 22 -15.985 1.241 5.549 1.00 0.48 N ATOM 125 CA ASN A 22 -16.423 0.230 6.504 1.00 0.50 C ATOM 126 C ASN A 22 -15.624 -1.057 6.295 1.00 0.42 C ATOM 127 O ASN A 22 -16.114 -2.169 6.484 1.00 0.49 O ATOM 128 CB ASN A 22 -17.942 0.001 6.386 1.00 0.59 C ATOM 129 CG ASN A 22 -18.517 -0.864 7.495 1.00 1.08 C ATOM 130 OD1 ASN A 22 -18.794 -0.382 8.594 1.00 1.55 O ATOM 131 ND2 ASN A 22 -18.746 -2.136 7.205 1.00 1.92 N ATOM 0 H ASN A 22 -15.534 2.046 5.983 1.00 0.48 H new ATOM 0 HA ASN A 22 -16.232 0.577 7.519 1.00 0.50 H new ATOM 0 HB2 ASN A 22 -18.448 0.967 6.391 1.00 0.59 H new ATOM 0 HB3 ASN A 22 -18.157 -0.466 5.425 1.00 0.59 H new ATOM 0 HD21 ASN A 22 -19.165 -2.751 7.903 1.00 1.92 H new ATOM 0 HD22 ASN A 22 -18.503 -2.501 6.284 1.00 1.92 H new ATOM 138 N TRP A 23 -14.377 -0.886 5.890 1.00 0.35 N ATOM 139 CA TRP A 23 -13.462 -2.002 5.739 1.00 0.29 C ATOM 140 C TRP A 23 -12.565 -2.087 6.962 1.00 0.34 C ATOM 141 O TRP A 23 -12.436 -1.115 7.712 1.00 0.40 O ATOM 142 CB TRP A 23 -12.581 -1.826 4.498 1.00 0.26 C ATOM 143 CG TRP A 23 -13.316 -1.778 3.195 1.00 0.24 C ATOM 144 CD1 TRP A 23 -14.503 -2.373 2.878 1.00 0.25 C ATOM 145 CD2 TRP A 23 -12.872 -1.111 2.018 1.00 0.24 C ATOM 146 NE1 TRP A 23 -14.828 -2.097 1.565 1.00 0.25 N ATOM 147 CE2 TRP A 23 -13.834 -1.324 1.018 1.00 0.25 C ATOM 148 CE3 TRP A 23 -11.748 -0.345 1.721 1.00 0.27 C ATOM 149 CZ2 TRP A 23 -13.697 -0.794 -0.266 1.00 0.29 C ATOM 150 CZ3 TRP A 23 -11.613 0.177 0.456 1.00 0.31 C ATOM 151 CH2 TRP A 23 -12.580 -0.049 -0.526 1.00 0.31 C ATOM 0 H TRP A 23 -13.974 0.022 5.659 1.00 0.35 H new ATOM 0 HA TRP A 23 -14.051 -2.913 5.630 1.00 0.29 H new ATOM 0 HB2 TRP A 23 -12.007 -0.906 4.607 1.00 0.26 H new ATOM 0 HB3 TRP A 23 -11.864 -2.646 4.462 1.00 0.26 H new ATOM 0 HD1 TRP A 23 -15.098 -2.970 3.553 1.00 0.25 H new ATOM 0 HE1 TRP A 23 -15.668 -2.415 1.081 1.00 0.25 H new ATOM 0 HE3 TRP A 23 -10.994 -0.164 2.472 1.00 0.27 H new ATOM 0 HZ2 TRP A 23 -14.445 -0.966 -1.026 1.00 0.29 H new ATOM 0 HZ3 TRP A 23 -10.744 0.772 0.218 1.00 0.31 H new ATOM 0 HH2 TRP A 23 -12.443 0.373 -1.511 1.00 0.31 H new ATOM 162 N PRO A 24 -11.946 -3.250 7.194 1.00 0.34 N ATOM 163 CA PRO A 24 -10.910 -3.387 8.208 1.00 0.40 C ATOM 164 C PRO A 24 -9.633 -2.698 7.746 1.00 0.39 C ATOM 165 O PRO A 24 -9.527 -2.292 6.585 1.00 0.41 O ATOM 166 CB PRO A 24 -10.711 -4.895 8.315 1.00 0.43 C ATOM 167 CG PRO A 24 -11.099 -5.414 6.979 1.00 0.44 C ATOM 168 CD PRO A 24 -12.204 -4.516 6.490 1.00 0.34 C ATOM 0 HA PRO A 24 -11.175 -2.933 9.163 1.00 0.40 H new ATOM 0 HB2 PRO A 24 -9.677 -5.143 8.553 1.00 0.43 H new ATOM 0 HB3 PRO A 24 -11.331 -5.323 9.103 1.00 0.43 H new ATOM 0 HG2 PRO A 24 -10.252 -5.399 6.293 1.00 0.44 H new ATOM 0 HG3 PRO A 24 -11.437 -6.448 7.045 1.00 0.44 H new ATOM 0 HD2 PRO A 24 -12.170 -4.389 5.408 1.00 0.34 H new ATOM 0 HD3 PRO A 24 -13.187 -4.919 6.733 1.00 0.34 H new ATOM 176 N MET A 25 -8.663 -2.571 8.634 1.00 0.47 N ATOM 177 CA MET A 25 -7.454 -1.840 8.324 1.00 0.47 C ATOM 178 C MET A 25 -6.587 -2.636 7.358 1.00 0.38 C ATOM 179 O MET A 25 -6.398 -3.843 7.534 1.00 0.44 O ATOM 180 CB MET A 25 -6.689 -1.541 9.607 1.00 0.61 C ATOM 181 CG MET A 25 -7.586 -1.054 10.732 1.00 0.70 C ATOM 182 SD MET A 25 -8.679 0.298 10.250 1.00 0.90 S ATOM 183 CE MET A 25 -7.485 1.514 9.736 1.00 1.00 C ATOM 0 H MET A 25 -8.692 -2.965 9.574 1.00 0.47 H new ATOM 0 HA MET A 25 -7.721 -0.898 7.846 1.00 0.47 H new ATOM 0 HB2 MET A 25 -6.166 -2.441 9.930 1.00 0.61 H new ATOM 0 HB3 MET A 25 -5.929 -0.787 9.403 1.00 0.61 H new ATOM 0 HG2 MET A 25 -8.189 -1.888 11.091 1.00 0.70 H new ATOM 0 HG3 MET A 25 -6.964 -0.728 11.566 1.00 0.70 H new ATOM 0 HE1 MET A 25 -7.984 2.470 9.577 1.00 1.00 H new ATOM 0 HE2 MET A 25 -6.724 1.626 10.509 1.00 1.00 H new ATOM 0 HE3 MET A 25 -7.014 1.192 8.807 1.00 1.00 H new ATOM 193 N PRO A 26 -6.064 -1.968 6.318 1.00 0.32 N ATOM 194 CA PRO A 26 -5.260 -2.615 5.278 1.00 0.25 C ATOM 195 C PRO A 26 -3.959 -3.199 5.806 1.00 0.23 C ATOM 196 O PRO A 26 -3.472 -2.827 6.875 1.00 0.27 O ATOM 197 CB PRO A 26 -4.943 -1.486 4.297 1.00 0.30 C ATOM 198 CG PRO A 26 -5.906 -0.399 4.611 1.00 0.46 C ATOM 199 CD PRO A 26 -6.217 -0.528 6.071 1.00 0.44 C ATOM 0 HA PRO A 26 -5.802 -3.454 4.840 1.00 0.25 H new ATOM 0 HB2 PRO A 26 -3.915 -1.144 4.413 1.00 0.30 H new ATOM 0 HB3 PRO A 26 -5.053 -1.821 3.266 1.00 0.30 H new ATOM 0 HG2 PRO A 26 -5.477 0.578 4.389 1.00 0.46 H new ATOM 0 HG3 PRO A 26 -6.810 -0.494 4.010 1.00 0.46 H new ATOM 0 HD2 PRO A 26 -5.533 0.061 6.682 1.00 0.44 H new ATOM 0 HD3 PRO A 26 -7.226 -0.185 6.300 1.00 0.44 H new ATOM 207 N SER A 27 -3.398 -4.101 5.027 1.00 0.20 N ATOM 208 CA SER A 27 -2.142 -4.735 5.366 1.00 0.20 C ATOM 209 C SER A 27 -0.986 -3.897 4.850 1.00 0.17 C ATOM 210 O SER A 27 -1.057 -3.344 3.749 1.00 0.17 O ATOM 211 CB SER A 27 -2.089 -6.130 4.754 1.00 0.25 C ATOM 212 OG SER A 27 -0.980 -6.873 5.234 1.00 0.30 O ATOM 0 H SER A 27 -3.799 -4.414 4.143 1.00 0.20 H new ATOM 0 HA SER A 27 -2.062 -4.818 6.450 1.00 0.20 H new ATOM 0 HB2 SER A 27 -3.011 -6.663 4.984 1.00 0.25 H new ATOM 0 HB3 SER A 27 -2.030 -6.049 3.669 1.00 0.25 H new ATOM 0 HG SER A 27 -0.979 -7.762 4.822 1.00 0.30 H new ATOM 218 N TYR A 28 0.078 -3.817 5.631 1.00 0.17 N ATOM 219 CA TYR A 28 1.246 -3.040 5.264 1.00 0.17 C ATOM 220 C TYR A 28 2.501 -3.820 5.658 1.00 0.20 C ATOM 221 O TYR A 28 2.782 -3.984 6.846 1.00 0.25 O ATOM 222 CB TYR A 28 1.244 -1.671 5.962 1.00 0.20 C ATOM 223 CG TYR A 28 0.223 -0.682 5.427 1.00 0.19 C ATOM 224 CD1 TYR A 28 -1.063 -0.621 5.946 1.00 0.20 C ATOM 225 CD2 TYR A 28 0.559 0.206 4.412 1.00 0.22 C ATOM 226 CE1 TYR A 28 -1.984 0.292 5.466 1.00 0.23 C ATOM 227 CE2 TYR A 28 -0.353 1.123 3.932 1.00 0.25 C ATOM 228 CZ TYR A 28 -1.623 1.163 4.459 1.00 0.25 C ATOM 229 OH TYR A 28 -2.533 2.078 3.976 1.00 0.30 O ATOM 0 H TYR A 28 0.155 -4.287 6.533 1.00 0.17 H new ATOM 0 HA TYR A 28 1.231 -2.867 4.188 1.00 0.17 H new ATOM 0 HB2 TYR A 28 1.059 -1.822 7.026 1.00 0.20 H new ATOM 0 HB3 TYR A 28 2.237 -1.231 5.870 1.00 0.20 H new ATOM 0 HD1 TYR A 28 -1.349 -1.298 6.738 1.00 0.20 H new ATOM 0 HD2 TYR A 28 1.553 0.178 3.991 1.00 0.22 H new ATOM 0 HE1 TYR A 28 -2.982 0.323 5.878 1.00 0.23 H new ATOM 0 HE2 TYR A 28 -0.071 1.807 3.145 1.00 0.25 H new ATOM 0 HH TYR A 28 -3.260 2.189 4.623 1.00 0.30 H new ATOM 239 N ARG A 29 3.251 -4.308 4.674 1.00 0.23 N ATOM 240 CA ARG A 29 4.423 -5.132 4.937 1.00 0.33 C ATOM 241 C ARG A 29 5.418 -5.003 3.790 1.00 0.24 C ATOM 242 O ARG A 29 5.076 -5.256 2.633 1.00 0.22 O ATOM 243 CB ARG A 29 4.014 -6.595 5.115 1.00 0.50 C ATOM 244 CG ARG A 29 5.185 -7.527 5.385 1.00 1.34 C ATOM 245 CD ARG A 29 4.738 -8.972 5.508 1.00 1.55 C ATOM 246 NE ARG A 29 3.901 -9.198 6.686 1.00 2.13 N ATOM 247 CZ ARG A 29 3.740 -10.390 7.261 1.00 2.75 C ATOM 248 NH1 ARG A 29 4.369 -11.455 6.777 1.00 2.84 N ATOM 249 NH2 ARG A 29 2.957 -10.518 8.322 1.00 3.69 N ATOM 0 H ARG A 29 3.066 -4.145 3.684 1.00 0.23 H new ATOM 0 HA ARG A 29 4.895 -4.787 5.857 1.00 0.33 H new ATOM 0 HB2 ARG A 29 3.305 -6.667 5.940 1.00 0.50 H new ATOM 0 HB3 ARG A 29 3.494 -6.930 4.218 1.00 0.50 H new ATOM 0 HG2 ARG A 29 5.913 -7.439 4.579 1.00 1.34 H new ATOM 0 HG3 ARG A 29 5.688 -7.223 6.303 1.00 1.34 H new ATOM 0 HD2 ARG A 29 4.185 -9.256 4.613 1.00 1.55 H new ATOM 0 HD3 ARG A 29 5.615 -9.618 5.559 1.00 1.55 H new ATOM 0 HE ARG A 29 3.413 -8.399 7.090 1.00 2.13 H new ATOM 0 HH11 ARG A 29 4.977 -11.362 5.963 1.00 2.84 H new ATOM 0 HH12 ARG A 29 4.244 -12.366 7.219 1.00 2.84 H new ATOM 0 HH21 ARG A 29 2.475 -9.703 8.701 1.00 3.69 H new ATOM 0 HH22 ARG A 29 2.836 -11.431 8.759 1.00 3.69 H new ATOM 263 N CYS A 30 6.641 -4.604 4.115 1.00 0.31 N ATOM 264 CA CYS A 30 7.669 -4.378 3.109 1.00 0.31 C ATOM 265 C CYS A 30 7.991 -5.657 2.347 1.00 0.27 C ATOM 266 O CYS A 30 8.338 -6.680 2.938 1.00 0.30 O ATOM 267 CB CYS A 30 8.934 -3.823 3.765 1.00 0.45 C ATOM 268 SG CYS A 30 8.665 -2.301 4.699 1.00 1.53 S ATOM 0 H CYS A 30 6.946 -4.430 5.073 1.00 0.31 H new ATOM 0 HA CYS A 30 7.286 -3.649 2.395 1.00 0.31 H new ATOM 0 HB2 CYS A 30 9.347 -4.579 4.432 1.00 0.45 H new ATOM 0 HB3 CYS A 30 9.680 -3.637 2.993 1.00 0.45 H new ATOM 0 HG CYS A 30 9.789 -1.907 5.220 1.00 1.53 H new ATOM 274 N VAL A 31 7.882 -5.581 1.026 1.00 0.26 N ATOM 275 CA VAL A 31 8.130 -6.725 0.163 1.00 0.28 C ATOM 276 C VAL A 31 9.626 -6.895 -0.049 1.00 0.27 C ATOM 277 O VAL A 31 10.123 -8.008 -0.213 1.00 0.32 O ATOM 278 CB VAL A 31 7.429 -6.561 -1.205 1.00 0.34 C ATOM 279 CG1 VAL A 31 7.646 -7.783 -2.086 1.00 1.15 C ATOM 280 CG2 VAL A 31 5.945 -6.302 -1.010 1.00 1.15 C ATOM 0 H VAL A 31 7.621 -4.730 0.528 1.00 0.26 H new ATOM 0 HA VAL A 31 7.722 -7.610 0.651 1.00 0.28 H new ATOM 0 HB VAL A 31 7.872 -5.703 -1.710 1.00 0.34 H new ATOM 0 HG11 VAL A 31 7.141 -7.637 -3.041 1.00 1.15 H new ATOM 0 HG12 VAL A 31 8.713 -7.923 -2.258 1.00 1.15 H new ATOM 0 HG13 VAL A 31 7.239 -8.665 -1.591 1.00 1.15 H new ATOM 0 HG21 VAL A 31 5.465 -6.189 -1.982 1.00 1.15 H new ATOM 0 HG22 VAL A 31 5.496 -7.141 -0.479 1.00 1.15 H new ATOM 0 HG23 VAL A 31 5.808 -5.390 -0.429 1.00 1.15 H new ATOM 290 N LYS A 32 10.345 -5.785 -0.008 1.00 0.24 N ATOM 291 CA LYS A 32 11.784 -5.809 -0.157 1.00 0.26 C ATOM 292 C LYS A 32 12.435 -4.919 0.888 1.00 0.31 C ATOM 293 O LYS A 32 12.057 -3.761 1.066 1.00 0.31 O ATOM 294 CB LYS A 32 12.187 -5.356 -1.561 1.00 0.30 C ATOM 295 CG LYS A 32 13.685 -5.404 -1.814 1.00 0.61 C ATOM 296 CD LYS A 32 14.232 -6.807 -1.626 1.00 1.14 C ATOM 297 CE LYS A 32 15.723 -6.875 -1.912 1.00 1.37 C ATOM 298 NZ LYS A 32 16.263 -8.238 -1.673 1.00 2.25 N ATOM 0 H LYS A 32 9.950 -4.854 0.128 1.00 0.24 H new ATOM 0 HA LYS A 32 12.129 -6.833 -0.012 1.00 0.26 H new ATOM 0 HB2 LYS A 32 11.684 -5.986 -2.294 1.00 0.30 H new ATOM 0 HB3 LYS A 32 11.833 -4.337 -1.720 1.00 0.30 H new ATOM 0 HG2 LYS A 32 13.896 -5.062 -2.827 1.00 0.61 H new ATOM 0 HG3 LYS A 32 14.193 -4.719 -1.134 1.00 0.61 H new ATOM 0 HD2 LYS A 32 14.043 -7.137 -0.605 1.00 1.14 H new ATOM 0 HD3 LYS A 32 13.704 -7.495 -2.286 1.00 1.14 H new ATOM 0 HE2 LYS A 32 15.909 -6.585 -2.946 1.00 1.37 H new ATOM 0 HE3 LYS A 32 16.248 -6.159 -1.280 1.00 1.37 H new ATOM 0 HZ1 LYS A 32 17.283 -8.248 -1.878 1.00 2.25 H new ATOM 0 HZ2 LYS A 32 16.107 -8.504 -0.680 1.00 2.25 H new ATOM 0 HZ3 LYS A 32 15.778 -8.917 -2.294 1.00 2.25 H new ATOM 312 N GLU A 33 13.411 -5.488 1.571 1.00 0.52 N ATOM 313 CA GLU A 33 14.135 -4.799 2.628 1.00 0.65 C ATOM 314 C GLU A 33 15.454 -4.265 2.089 1.00 0.98 C ATOM 315 O GLU A 33 15.995 -4.798 1.118 1.00 1.39 O ATOM 316 CB GLU A 33 14.402 -5.772 3.779 1.00 1.01 C ATOM 317 CG GLU A 33 14.931 -5.111 5.038 1.00 1.34 C ATOM 318 CD GLU A 33 13.881 -4.280 5.739 1.00 1.80 C ATOM 319 OE1 GLU A 33 13.092 -4.847 6.517 1.00 1.99 O ATOM 320 OE2 GLU A 33 13.833 -3.056 5.502 1.00 2.60 O ATOM 0 H GLU A 33 13.726 -6.444 1.409 1.00 0.52 H new ATOM 0 HA GLU A 33 13.536 -3.963 2.990 1.00 0.65 H new ATOM 0 HB2 GLU A 33 13.478 -6.298 4.018 1.00 1.01 H new ATOM 0 HB3 GLU A 33 15.119 -6.523 3.447 1.00 1.01 H new ATOM 0 HG2 GLU A 33 15.298 -5.878 5.720 1.00 1.34 H new ATOM 0 HG3 GLU A 33 15.781 -4.478 4.783 1.00 1.34 H new ATOM 327 N GLY A 34 15.962 -3.210 2.713 1.00 1.02 N ATOM 328 CA GLY A 34 17.193 -2.610 2.268 1.00 1.52 C ATOM 329 C GLY A 34 18.408 -3.430 2.637 1.00 1.29 C ATOM 330 O GLY A 34 18.510 -3.938 3.760 1.00 1.69 O ATOM 0 H GLY A 34 15.536 -2.761 3.524 1.00 1.02 H new ATOM 0 HA2 GLY A 34 17.160 -2.483 1.186 1.00 1.52 H new ATOM 0 HA3 GLY A 34 17.286 -1.615 2.703 1.00 1.52 H new ATOM 334 N GLY A 35 19.328 -3.553 1.693 1.00 1.53 N ATOM 335 CA GLY A 35 20.542 -4.311 1.910 1.00 1.64 C ATOM 336 C GLY A 35 21.572 -3.557 2.725 1.00 1.92 C ATOM 337 O GLY A 35 21.229 -2.834 3.660 1.00 2.13 O ATOM 0 H GLY A 35 19.253 -3.134 0.766 1.00 1.53 H new ATOM 0 HA2 GLY A 35 20.296 -5.243 2.418 1.00 1.64 H new ATOM 0 HA3 GLY A 35 20.974 -4.578 0.946 1.00 1.64 H new ATOM 341 N PRO A 36 22.854 -3.728 2.381 1.00 2.06 N ATOM 342 CA PRO A 36 23.983 -3.088 3.072 1.00 2.40 C ATOM 343 C PRO A 36 23.769 -1.588 3.302 1.00 2.43 C ATOM 344 O PRO A 36 23.625 -1.141 4.440 1.00 3.00 O ATOM 345 CB PRO A 36 25.146 -3.341 2.110 1.00 2.51 C ATOM 346 CG PRO A 36 24.795 -4.620 1.438 1.00 2.43 C ATOM 347 CD PRO A 36 23.302 -4.596 1.280 1.00 2.06 C ATOM 0 HA PRO A 36 24.139 -3.488 4.074 1.00 2.40 H new ATOM 0 HB2 PRO A 36 25.251 -2.529 1.390 1.00 2.51 H new ATOM 0 HB3 PRO A 36 26.094 -3.419 2.643 1.00 2.51 H new ATOM 0 HG2 PRO A 36 25.290 -4.703 0.471 1.00 2.43 H new ATOM 0 HG3 PRO A 36 25.113 -5.476 2.034 1.00 2.43 H new ATOM 0 HD2 PRO A 36 23.007 -4.197 0.309 1.00 2.06 H new ATOM 0 HD3 PRO A 36 22.874 -5.595 1.357 1.00 2.06 H new ATOM 355 N ALA A 37 23.748 -0.821 2.218 1.00 2.18 N ATOM 356 CA ALA A 37 23.457 0.610 2.283 1.00 2.20 C ATOM 357 C ALA A 37 23.181 1.147 0.888 1.00 1.91 C ATOM 358 O ALA A 37 22.250 1.923 0.681 1.00 1.86 O ATOM 359 CB ALA A 37 24.596 1.384 2.935 1.00 2.61 C ATOM 0 H ALA A 37 23.930 -1.168 1.276 1.00 2.18 H new ATOM 0 HA ALA A 37 22.570 0.746 2.902 1.00 2.20 H new ATOM 0 HB1 ALA A 37 24.345 2.444 2.966 1.00 2.61 H new ATOM 0 HB2 ALA A 37 24.751 1.018 3.950 1.00 2.61 H new ATOM 0 HB3 ALA A 37 25.509 1.244 2.356 1.00 2.61 H new ATOM 365 N HIS A 38 23.979 0.692 -0.075 1.00 1.80 N ATOM 366 CA HIS A 38 23.794 1.066 -1.480 1.00 1.61 C ATOM 367 C HIS A 38 22.555 0.395 -2.072 1.00 1.37 C ATOM 368 O HIS A 38 22.298 0.493 -3.269 1.00 1.39 O ATOM 369 CB HIS A 38 25.038 0.703 -2.312 1.00 1.69 C ATOM 370 CG HIS A 38 25.394 -0.758 -2.306 1.00 1.73 C ATOM 371 ND1 HIS A 38 26.406 -1.284 -1.532 1.00 2.01 N ATOM 372 CD2 HIS A 38 24.865 -1.805 -2.984 1.00 1.66 C ATOM 373 CE1 HIS A 38 26.481 -2.585 -1.732 1.00 2.10 C ATOM 374 NE2 HIS A 38 25.558 -2.928 -2.608 1.00 1.91 N ATOM 0 H HIS A 38 24.763 0.061 0.090 1.00 1.80 H new ATOM 0 HA HIS A 38 23.651 2.146 -1.516 1.00 1.61 H new ATOM 0 HB2 HIS A 38 24.874 1.019 -3.342 1.00 1.69 H new ATOM 0 HB3 HIS A 38 25.888 1.272 -1.936 1.00 1.69 H new ATOM 0 HD2 HIS A 38 24.049 -1.763 -3.690 1.00 1.66 H new ATOM 0 HE1 HIS A 38 27.181 -3.257 -1.258 1.00 2.10 H new ATOM 0 HE2 HIS A 38 25.387 -3.873 -2.950 1.00 1.91 H new ATOM 383 N ALA A 39 21.800 -0.290 -1.227 1.00 1.26 N ATOM 384 CA ALA A 39 20.589 -0.972 -1.651 1.00 1.12 C ATOM 385 C ALA A 39 19.536 -0.910 -0.552 1.00 0.93 C ATOM 386 O ALA A 39 18.731 -1.824 -0.396 1.00 1.07 O ATOM 387 CB ALA A 39 20.896 -2.418 -2.009 1.00 1.28 C ATOM 0 H ALA A 39 22.009 -0.388 -0.233 1.00 1.26 H new ATOM 0 HA ALA A 39 20.198 -0.471 -2.536 1.00 1.12 H new ATOM 0 HB1 ALA A 39 19.980 -2.917 -2.325 1.00 1.28 H new ATOM 0 HB2 ALA A 39 21.623 -2.445 -2.821 1.00 1.28 H new ATOM 0 HB3 ALA A 39 21.306 -2.929 -1.138 1.00 1.28 H new ATOM 393 N LYS A 40 19.563 0.166 0.224 1.00 0.78 N ATOM 394 CA LYS A 40 18.640 0.331 1.342 1.00 0.61 C ATOM 395 C LYS A 40 17.301 0.910 0.894 1.00 0.43 C ATOM 396 O LYS A 40 16.574 1.497 1.688 1.00 0.39 O ATOM 397 CB LYS A 40 19.232 1.198 2.448 1.00 0.71 C ATOM 398 CG LYS A 40 18.691 0.860 3.829 1.00 0.90 C ATOM 399 CD LYS A 40 19.217 -0.473 4.330 1.00 0.86 C ATOM 400 CE LYS A 40 18.635 -0.819 5.687 1.00 1.03 C ATOM 401 NZ LYS A 40 19.092 -2.150 6.169 1.00 1.93 N ATOM 0 H LYS A 40 20.216 0.940 0.100 1.00 0.78 H new ATOM 0 HA LYS A 40 18.468 -0.668 1.742 1.00 0.61 H new ATOM 0 HB2 LYS A 40 20.316 1.082 2.451 1.00 0.71 H new ATOM 0 HB3 LYS A 40 19.024 2.246 2.230 1.00 0.71 H new ATOM 0 HG2 LYS A 40 18.968 1.647 4.530 1.00 0.90 H new ATOM 0 HG3 LYS A 40 17.602 0.832 3.796 1.00 0.90 H new ATOM 0 HD2 LYS A 40 18.968 -1.257 3.615 1.00 0.86 H new ATOM 0 HD3 LYS A 40 20.304 -0.436 4.397 1.00 0.86 H new ATOM 0 HE2 LYS A 40 18.921 -0.055 6.409 1.00 1.03 H new ATOM 0 HE3 LYS A 40 17.547 -0.810 5.627 1.00 1.03 H new ATOM 0 HZ1 LYS A 40 18.545 -2.421 7.011 1.00 1.93 H new ATOM 0 HZ2 LYS A 40 18.949 -2.858 5.421 1.00 1.93 H new ATOM 0 HZ3 LYS A 40 20.102 -2.103 6.413 1.00 1.93 H new ATOM 415 N ARG A 41 16.999 0.799 -0.383 1.00 0.39 N ATOM 416 CA ARG A 41 15.693 1.219 -0.851 1.00 0.33 C ATOM 417 C ARG A 41 14.692 0.098 -0.632 1.00 0.28 C ATOM 418 O ARG A 41 14.974 -1.073 -0.897 1.00 0.36 O ATOM 419 CB ARG A 41 15.712 1.661 -2.317 1.00 0.39 C ATOM 420 CG ARG A 41 16.291 0.643 -3.284 1.00 1.16 C ATOM 421 CD ARG A 41 16.348 1.215 -4.689 1.00 1.48 C ATOM 422 NE ARG A 41 16.812 0.242 -5.674 1.00 2.15 N ATOM 423 CZ ARG A 41 17.204 0.565 -6.906 1.00 2.71 C ATOM 424 NH1 ARG A 41 17.221 1.838 -7.291 1.00 2.69 N ATOM 425 NH2 ARG A 41 17.587 -0.382 -7.753 1.00 3.64 N ATOM 0 H ARG A 41 17.623 0.431 -1.101 1.00 0.39 H new ATOM 0 HA ARG A 41 15.393 2.092 -0.272 1.00 0.33 H new ATOM 0 HB2 ARG A 41 14.692 1.894 -2.624 1.00 0.39 H new ATOM 0 HB3 ARG A 41 16.287 2.584 -2.396 1.00 0.39 H new ATOM 0 HG2 ARG A 41 17.292 0.355 -2.962 1.00 1.16 H new ATOM 0 HG3 ARG A 41 15.682 -0.261 -3.278 1.00 1.16 H new ATOM 0 HD2 ARG A 41 15.357 1.570 -4.973 1.00 1.48 H new ATOM 0 HD3 ARG A 41 17.011 2.080 -4.698 1.00 1.48 H new ATOM 0 HE ARG A 41 16.838 -0.741 -5.404 1.00 2.15 H new ATOM 0 HH11 ARG A 41 16.933 2.571 -6.642 1.00 2.69 H new ATOM 0 HH12 ARG A 41 17.522 2.081 -8.235 1.00 2.69 H new ATOM 0 HH21 ARG A 41 17.582 -1.359 -7.462 1.00 3.64 H new ATOM 0 HH22 ARG A 41 17.887 -0.132 -8.696 1.00 3.64 H new ATOM 439 N PHE A 42 13.529 0.470 -0.135 1.00 0.23 N ATOM 440 CA PHE A 42 12.525 -0.493 0.262 1.00 0.24 C ATOM 441 C PHE A 42 11.355 -0.447 -0.696 1.00 0.19 C ATOM 442 O PHE A 42 10.891 0.626 -1.078 1.00 0.20 O ATOM 443 CB PHE A 42 12.020 -0.213 1.682 1.00 0.32 C ATOM 444 CG PHE A 42 13.085 0.258 2.631 1.00 0.33 C ATOM 445 CD1 PHE A 42 14.223 -0.499 2.867 1.00 0.71 C ATOM 446 CD2 PHE A 42 12.947 1.471 3.282 1.00 0.37 C ATOM 447 CE1 PHE A 42 15.199 -0.049 3.735 1.00 0.79 C ATOM 448 CE2 PHE A 42 13.917 1.922 4.149 1.00 0.37 C ATOM 449 CZ PHE A 42 15.044 1.162 4.379 1.00 0.46 C ATOM 0 H PHE A 42 13.256 1.443 0.004 1.00 0.23 H new ATOM 0 HA PHE A 42 12.985 -1.481 0.241 1.00 0.24 H new ATOM 0 HB2 PHE A 42 11.233 0.539 1.634 1.00 0.32 H new ATOM 0 HB3 PHE A 42 11.569 -1.121 2.081 1.00 0.32 H new ATOM 0 HD1 PHE A 42 14.347 -1.449 2.368 1.00 0.71 H new ATOM 0 HD2 PHE A 42 12.067 2.072 3.108 1.00 0.37 H new ATOM 0 HE1 PHE A 42 16.083 -0.644 3.910 1.00 0.79 H new ATOM 0 HE2 PHE A 42 13.795 2.871 4.649 1.00 0.37 H new ATOM 0 HZ PHE A 42 15.804 1.513 5.061 1.00 0.46 H new ATOM 459 N THR A 43 10.889 -1.614 -1.072 1.00 0.17 N ATOM 460 CA THR A 43 9.768 -1.740 -1.973 1.00 0.17 C ATOM 461 C THR A 43 8.657 -2.467 -1.238 1.00 0.17 C ATOM 462 O THR A 43 8.887 -3.544 -0.688 1.00 0.24 O ATOM 463 CB THR A 43 10.173 -2.527 -3.233 1.00 0.20 C ATOM 464 OG1 THR A 43 11.307 -1.907 -3.853 1.00 0.26 O ATOM 465 CG2 THR A 43 9.028 -2.603 -4.224 1.00 0.25 C ATOM 0 H THR A 43 11.277 -2.505 -0.761 1.00 0.17 H new ATOM 0 HA THR A 43 9.432 -0.753 -2.290 1.00 0.17 H new ATOM 0 HB THR A 43 10.431 -3.541 -2.929 1.00 0.20 H new ATOM 0 HG1 THR A 43 11.560 -2.414 -4.653 1.00 0.26 H new ATOM 0 HG21 THR A 43 9.344 -3.165 -5.103 1.00 0.25 H new ATOM 0 HG22 THR A 43 8.178 -3.103 -3.760 1.00 0.25 H new ATOM 0 HG23 THR A 43 8.737 -1.596 -4.522 1.00 0.25 H new ATOM 473 N PHE A 44 7.467 -1.898 -1.185 1.00 0.14 N ATOM 474 CA PHE A 44 6.417 -2.446 -0.357 1.00 0.12 C ATOM 475 C PHE A 44 5.119 -2.532 -1.157 1.00 0.13 C ATOM 476 O PHE A 44 4.901 -1.746 -2.082 1.00 0.16 O ATOM 477 CB PHE A 44 6.254 -1.562 0.894 1.00 0.14 C ATOM 478 CG PHE A 44 4.842 -1.388 1.353 1.00 0.13 C ATOM 479 CD1 PHE A 44 4.163 -2.420 1.968 1.00 0.14 C ATOM 480 CD2 PHE A 44 4.191 -0.188 1.155 1.00 0.15 C ATOM 481 CE1 PHE A 44 2.859 -2.260 2.372 1.00 0.16 C ATOM 482 CE2 PHE A 44 2.887 -0.023 1.560 1.00 0.17 C ATOM 483 CZ PHE A 44 2.222 -1.062 2.168 1.00 0.15 C ATOM 0 H PHE A 44 7.207 -1.060 -1.705 1.00 0.14 H new ATOM 0 HA PHE A 44 6.675 -3.455 -0.037 1.00 0.12 H new ATOM 0 HB2 PHE A 44 6.836 -1.995 1.707 1.00 0.14 H new ATOM 0 HB3 PHE A 44 6.679 -0.580 0.687 1.00 0.14 H new ATOM 0 HD1 PHE A 44 4.662 -3.364 2.134 1.00 0.14 H new ATOM 0 HD2 PHE A 44 4.710 0.630 0.677 1.00 0.15 H new ATOM 0 HE1 PHE A 44 2.337 -3.076 2.849 1.00 0.16 H new ATOM 0 HE2 PHE A 44 2.386 0.921 1.401 1.00 0.17 H new ATOM 0 HZ PHE A 44 1.197 -0.935 2.485 1.00 0.15 H new ATOM 493 N GLY A 45 4.269 -3.485 -0.798 1.00 0.13 N ATOM 494 CA GLY A 45 2.999 -3.653 -1.468 1.00 0.17 C ATOM 495 C GLY A 45 1.856 -3.630 -0.482 1.00 0.15 C ATOM 496 O GLY A 45 1.875 -4.363 0.509 1.00 0.15 O ATOM 0 H GLY A 45 4.442 -4.151 -0.045 1.00 0.13 H new ATOM 0 HA2 GLY A 45 2.865 -2.860 -2.203 1.00 0.17 H new ATOM 0 HA3 GLY A 45 2.994 -4.597 -2.013 1.00 0.17 H new ATOM 500 N VAL A 46 0.855 -2.811 -0.752 1.00 0.15 N ATOM 501 CA VAL A 46 -0.242 -2.603 0.187 1.00 0.15 C ATOM 502 C VAL A 46 -1.517 -3.229 -0.354 1.00 0.14 C ATOM 503 O VAL A 46 -1.739 -3.231 -1.565 1.00 0.19 O ATOM 504 CB VAL A 46 -0.474 -1.098 0.459 1.00 0.23 C ATOM 505 CG1 VAL A 46 -0.788 -0.345 -0.820 1.00 0.80 C ATOM 506 CG2 VAL A 46 -1.574 -0.895 1.490 1.00 0.76 C ATOM 0 H VAL A 46 0.776 -2.275 -1.616 1.00 0.15 H new ATOM 0 HA VAL A 46 0.029 -3.081 1.128 1.00 0.15 H new ATOM 0 HB VAL A 46 0.452 -0.691 0.864 1.00 0.23 H new ATOM 0 HG11 VAL A 46 -0.945 0.709 -0.592 1.00 0.80 H new ATOM 0 HG12 VAL A 46 0.045 -0.446 -1.515 1.00 0.80 H new ATOM 0 HG13 VAL A 46 -1.690 -0.757 -1.273 1.00 0.80 H new ATOM 0 HG21 VAL A 46 -1.718 0.171 1.664 1.00 0.76 H new ATOM 0 HG22 VAL A 46 -2.503 -1.331 1.122 1.00 0.76 H new ATOM 0 HG23 VAL A 46 -1.291 -1.380 2.424 1.00 0.76 H new ATOM 516 N ARG A 47 -2.360 -3.752 0.523 1.00 0.15 N ATOM 517 CA ARG A 47 -3.564 -4.440 0.104 1.00 0.18 C ATOM 518 C ARG A 47 -4.697 -4.069 1.051 1.00 0.15 C ATOM 519 O ARG A 47 -4.464 -3.839 2.239 1.00 0.19 O ATOM 520 CB ARG A 47 -3.332 -5.957 0.105 1.00 0.33 C ATOM 521 CG ARG A 47 -2.822 -6.491 1.428 1.00 0.66 C ATOM 522 CD ARG A 47 -1.886 -7.671 1.243 1.00 1.02 C ATOM 523 NE ARG A 47 -0.509 -7.224 1.043 1.00 1.43 N ATOM 524 CZ ARG A 47 0.287 -7.640 0.064 1.00 1.85 C ATOM 525 NH1 ARG A 47 -0.141 -8.534 -0.823 1.00 1.99 N ATOM 526 NH2 ARG A 47 1.515 -7.149 -0.032 1.00 2.62 N ATOM 0 H ARG A 47 -2.228 -3.711 1.534 1.00 0.15 H new ATOM 0 HA ARG A 47 -3.829 -4.140 -0.910 1.00 0.18 H new ATOM 0 HB2 ARG A 47 -4.267 -6.459 -0.144 1.00 0.33 H new ATOM 0 HB3 ARG A 47 -2.617 -6.207 -0.679 1.00 0.33 H new ATOM 0 HG2 ARG A 47 -2.302 -5.696 1.963 1.00 0.66 H new ATOM 0 HG3 ARG A 47 -3.667 -6.792 2.047 1.00 0.66 H new ATOM 0 HD2 ARG A 47 -1.937 -8.320 2.117 1.00 1.02 H new ATOM 0 HD3 ARG A 47 -2.207 -8.263 0.386 1.00 1.02 H new ATOM 0 HE ARG A 47 -0.132 -6.544 1.703 1.00 1.43 H new ATOM 0 HH11 ARG A 47 -1.088 -8.907 -0.755 1.00 1.99 H new ATOM 0 HH12 ARG A 47 0.478 -8.847 -1.571 1.00 1.99 H new ATOM 0 HH21 ARG A 47 1.842 -6.457 0.643 1.00 2.62 H new ATOM 0 HH22 ARG A 47 2.133 -7.463 -0.781 1.00 2.62 H new ATOM 540 N VAL A 48 -5.901 -3.986 0.522 1.00 0.13 N ATOM 541 CA VAL A 48 -7.072 -3.647 1.324 1.00 0.13 C ATOM 542 C VAL A 48 -8.155 -4.707 1.153 1.00 0.12 C ATOM 543 O VAL A 48 -8.200 -5.383 0.128 1.00 0.13 O ATOM 544 CB VAL A 48 -7.630 -2.270 0.914 1.00 0.15 C ATOM 545 CG1 VAL A 48 -8.841 -1.891 1.746 1.00 0.24 C ATOM 546 CG2 VAL A 48 -6.564 -1.196 1.028 1.00 0.22 C ATOM 0 H VAL A 48 -6.100 -4.149 -0.465 1.00 0.13 H new ATOM 0 HA VAL A 48 -6.768 -3.609 2.370 1.00 0.13 H new ATOM 0 HB VAL A 48 -7.942 -2.345 -0.128 1.00 0.15 H new ATOM 0 HG11 VAL A 48 -9.208 -0.915 1.430 1.00 0.24 H new ATOM 0 HG12 VAL A 48 -9.625 -2.636 1.608 1.00 0.24 H new ATOM 0 HG13 VAL A 48 -8.561 -1.850 2.799 1.00 0.24 H new ATOM 0 HG21 VAL A 48 -6.984 -0.234 0.733 1.00 0.22 H new ATOM 0 HG22 VAL A 48 -6.214 -1.139 2.059 1.00 0.22 H new ATOM 0 HG23 VAL A 48 -5.727 -1.443 0.374 1.00 0.22 H new ATOM 556 N ASN A 49 -9.027 -4.851 2.146 1.00 0.13 N ATOM 557 CA ASN A 49 -10.107 -5.825 2.069 1.00 0.15 C ATOM 558 C ASN A 49 -11.369 -5.165 1.530 1.00 0.16 C ATOM 559 O ASN A 49 -12.238 -4.724 2.282 1.00 0.18 O ATOM 560 CB ASN A 49 -10.378 -6.456 3.437 1.00 0.20 C ATOM 561 CG ASN A 49 -11.387 -7.589 3.362 1.00 0.66 C ATOM 562 OD1 ASN A 49 -11.512 -8.259 2.338 1.00 1.59 O ATOM 563 ND2 ASN A 49 -12.104 -7.819 4.450 1.00 1.21 N ATOM 0 H ASN A 49 -9.006 -4.308 3.009 1.00 0.13 H new ATOM 0 HA ASN A 49 -9.803 -6.619 1.387 1.00 0.15 H new ATOM 0 HB2 ASN A 49 -9.443 -6.832 3.852 1.00 0.20 H new ATOM 0 HB3 ASN A 49 -10.745 -5.691 4.121 1.00 0.20 H new ATOM 0 HD21 ASN A 49 -12.790 -8.574 4.459 1.00 1.21 H new ATOM 0 HD22 ASN A 49 -11.971 -7.241 5.280 1.00 1.21 H new ATOM 570 N THR A 50 -11.431 -5.095 0.215 1.00 0.17 N ATOM 571 CA THR A 50 -12.576 -4.497 -0.457 1.00 0.21 C ATOM 572 C THR A 50 -13.783 -5.394 -0.321 1.00 0.25 C ATOM 573 O THR A 50 -13.798 -6.520 -0.794 1.00 0.33 O ATOM 574 CB THR A 50 -12.314 -4.166 -1.941 1.00 0.27 C ATOM 575 OG1 THR A 50 -11.782 -5.304 -2.639 1.00 0.31 O ATOM 576 CG2 THR A 50 -11.362 -2.989 -2.067 1.00 0.29 C ATOM 0 H THR A 50 -10.705 -5.443 -0.412 1.00 0.17 H new ATOM 0 HA THR A 50 -12.765 -3.544 0.038 1.00 0.21 H new ATOM 0 HB THR A 50 -13.268 -3.899 -2.395 1.00 0.27 H new ATOM 0 HG1 THR A 50 -11.388 -5.928 -1.994 1.00 0.31 H new ATOM 0 HG21 THR A 50 -11.190 -2.771 -3.121 1.00 0.29 H new ATOM 0 HG22 THR A 50 -11.798 -2.115 -1.582 1.00 0.29 H new ATOM 0 HG23 THR A 50 -10.414 -3.235 -1.588 1.00 0.29 H new ATOM 584 N SER A 51 -14.778 -4.871 0.354 1.00 0.25 N ATOM 585 CA SER A 51 -15.967 -5.615 0.725 1.00 0.30 C ATOM 586 C SER A 51 -16.622 -6.349 -0.452 1.00 0.33 C ATOM 587 O SER A 51 -17.295 -7.362 -0.255 1.00 0.42 O ATOM 588 CB SER A 51 -16.936 -4.636 1.370 1.00 0.35 C ATOM 589 OG SER A 51 -17.094 -3.476 0.569 1.00 1.32 O ATOM 0 H SER A 51 -14.789 -3.901 0.668 1.00 0.25 H new ATOM 0 HA SER A 51 -15.683 -6.404 1.422 1.00 0.30 H new ATOM 0 HB2 SER A 51 -17.903 -5.118 1.514 1.00 0.35 H new ATOM 0 HB3 SER A 51 -16.570 -4.354 2.357 1.00 0.35 H new ATOM 0 HG SER A 51 -17.722 -2.862 1.003 1.00 1.32 H new ATOM 595 N ASP A 52 -16.419 -5.857 -1.669 1.00 0.33 N ATOM 596 CA ASP A 52 -17.050 -6.459 -2.839 1.00 0.41 C ATOM 597 C ASP A 52 -16.162 -7.509 -3.517 1.00 0.31 C ATOM 598 O ASP A 52 -16.641 -8.265 -4.362 1.00 0.37 O ATOM 599 CB ASP A 52 -17.425 -5.378 -3.856 1.00 0.64 C ATOM 600 CG ASP A 52 -16.250 -4.922 -4.698 1.00 0.82 C ATOM 601 OD1 ASP A 52 -15.299 -4.333 -4.142 1.00 0.85 O ATOM 602 OD2 ASP A 52 -16.281 -5.135 -5.929 1.00 1.30 O ATOM 0 H ASP A 52 -15.828 -5.050 -1.871 1.00 0.33 H new ATOM 0 HA ASP A 52 -17.946 -6.966 -2.483 1.00 0.41 H new ATOM 0 HB2 ASP A 52 -18.208 -5.760 -4.511 1.00 0.64 H new ATOM 0 HB3 ASP A 52 -17.841 -4.520 -3.329 1.00 0.64 H new ATOM 607 N ARG A 53 -14.879 -7.572 -3.166 1.00 0.28 N ATOM 608 CA ARG A 53 -13.962 -8.499 -3.835 1.00 0.28 C ATOM 609 C ARG A 53 -13.047 -9.209 -2.836 1.00 0.24 C ATOM 610 O ARG A 53 -12.806 -10.412 -2.943 1.00 0.29 O ATOM 611 CB ARG A 53 -13.114 -7.756 -4.866 1.00 0.42 C ATOM 612 CG ARG A 53 -12.266 -8.685 -5.709 1.00 1.14 C ATOM 613 CD ARG A 53 -13.089 -9.390 -6.774 1.00 1.45 C ATOM 614 NE ARG A 53 -12.264 -10.260 -7.612 1.00 2.15 N ATOM 615 CZ ARG A 53 -12.753 -11.148 -8.478 1.00 2.81 C ATOM 616 NH1 ARG A 53 -14.065 -11.282 -8.635 1.00 3.05 N ATOM 617 NH2 ARG A 53 -11.921 -11.898 -9.190 1.00 3.68 N ATOM 0 H ARG A 53 -14.454 -7.003 -2.434 1.00 0.28 H new ATOM 0 HA ARG A 53 -14.570 -9.253 -4.336 1.00 0.28 H new ATOM 0 HB2 ARG A 53 -13.768 -7.177 -5.518 1.00 0.42 H new ATOM 0 HB3 ARG A 53 -12.466 -7.046 -4.353 1.00 0.42 H new ATOM 0 HG2 ARG A 53 -11.467 -8.116 -6.185 1.00 1.14 H new ATOM 0 HG3 ARG A 53 -11.791 -9.427 -5.067 1.00 1.14 H new ATOM 0 HD2 ARG A 53 -13.871 -9.980 -6.297 1.00 1.45 H new ATOM 0 HD3 ARG A 53 -13.586 -8.648 -7.399 1.00 1.45 H new ATOM 0 HE ARG A 53 -11.250 -10.182 -7.529 1.00 2.15 H new ATOM 0 HH11 ARG A 53 -14.705 -10.704 -8.091 1.00 3.05 H new ATOM 0 HH12 ARG A 53 -14.432 -11.963 -9.299 1.00 3.05 H new ATOM 0 HH21 ARG A 53 -10.913 -11.793 -9.073 1.00 3.68 H new ATOM 0 HH22 ARG A 53 -12.289 -12.579 -9.854 1.00 3.68 H new ATOM 631 N GLY A 54 -12.546 -8.464 -1.868 1.00 0.18 N ATOM 632 CA GLY A 54 -11.630 -9.012 -0.894 1.00 0.19 C ATOM 633 C GLY A 54 -10.290 -8.317 -0.928 1.00 0.17 C ATOM 634 O GLY A 54 -10.211 -7.139 -1.293 1.00 0.17 O ATOM 0 H GLY A 54 -12.761 -7.475 -1.738 1.00 0.18 H new ATOM 0 HA2 GLY A 54 -12.062 -8.920 0.103 1.00 0.19 H new ATOM 0 HA3 GLY A 54 -11.492 -10.076 -1.084 1.00 0.19 H new ATOM 638 N TRP A 55 -9.249 -9.037 -0.530 1.00 0.18 N ATOM 639 CA TRP A 55 -7.891 -8.513 -0.592 1.00 0.18 C ATOM 640 C TRP A 55 -7.558 -8.025 -1.999 1.00 0.19 C ATOM 641 O TRP A 55 -7.557 -8.799 -2.958 1.00 0.24 O ATOM 642 CB TRP A 55 -6.872 -9.571 -0.158 1.00 0.24 C ATOM 643 CG TRP A 55 -6.630 -9.616 1.323 1.00 0.26 C ATOM 644 CD1 TRP A 55 -6.705 -10.710 2.134 1.00 0.35 C ATOM 645 CD2 TRP A 55 -6.266 -8.518 2.169 1.00 0.24 C ATOM 646 NE1 TRP A 55 -6.401 -10.360 3.427 1.00 0.39 N ATOM 647 CE2 TRP A 55 -6.132 -9.021 3.473 1.00 0.32 C ATOM 648 CE3 TRP A 55 -6.039 -7.162 1.952 1.00 0.18 C ATOM 649 CZ2 TRP A 55 -5.778 -8.211 4.548 1.00 0.34 C ATOM 650 CZ3 TRP A 55 -5.690 -6.363 3.023 1.00 0.19 C ATOM 651 CH2 TRP A 55 -5.560 -6.887 4.305 1.00 0.27 C ATOM 0 H TRP A 55 -9.319 -9.985 -0.161 1.00 0.18 H new ATOM 0 HA TRP A 55 -7.835 -7.670 0.096 1.00 0.18 H new ATOM 0 HB2 TRP A 55 -7.217 -10.550 -0.489 1.00 0.24 H new ATOM 0 HB3 TRP A 55 -5.926 -9.379 -0.664 1.00 0.24 H new ATOM 0 HD1 TRP A 55 -6.965 -11.706 1.807 1.00 0.35 H new ATOM 0 HE1 TRP A 55 -6.380 -10.996 4.224 1.00 0.39 H new ATOM 0 HE3 TRP A 55 -6.134 -6.741 0.962 1.00 0.18 H new ATOM 0 HZ2 TRP A 55 -5.679 -8.618 5.543 1.00 0.34 H new ATOM 0 HZ3 TRP A 55 -5.514 -5.310 2.862 1.00 0.19 H new ATOM 0 HH2 TRP A 55 -5.282 -6.235 5.120 1.00 0.27 H new ATOM 662 N THR A 56 -7.285 -6.736 -2.103 1.00 0.18 N ATOM 663 CA THR A 56 -6.942 -6.120 -3.373 1.00 0.22 C ATOM 664 C THR A 56 -5.575 -6.591 -3.835 1.00 0.26 C ATOM 665 O THR A 56 -4.722 -6.931 -3.008 1.00 0.36 O ATOM 666 CB THR A 56 -6.916 -4.582 -3.256 1.00 0.22 C ATOM 667 OG1 THR A 56 -6.007 -4.180 -2.219 1.00 0.22 O ATOM 668 CG2 THR A 56 -8.299 -4.031 -2.959 1.00 0.24 C ATOM 0 H THR A 56 -7.295 -6.090 -1.314 1.00 0.18 H new ATOM 0 HA THR A 56 -7.704 -6.414 -4.095 1.00 0.22 H new ATOM 0 HB THR A 56 -6.581 -4.180 -4.212 1.00 0.22 H new ATOM 0 HG1 THR A 56 -5.997 -3.202 -2.154 1.00 0.22 H new ATOM 0 HG21 THR A 56 -8.249 -2.945 -2.882 1.00 0.24 H new ATOM 0 HG22 THR A 56 -8.981 -4.307 -3.763 1.00 0.24 H new ATOM 0 HG23 THR A 56 -8.661 -4.445 -2.018 1.00 0.24 H new ATOM 676 N ASP A 57 -5.369 -6.635 -5.145 1.00 0.30 N ATOM 677 CA ASP A 57 -4.042 -6.884 -5.676 1.00 0.34 C ATOM 678 C ASP A 57 -3.128 -5.772 -5.211 1.00 0.23 C ATOM 679 O ASP A 57 -3.350 -4.595 -5.506 1.00 0.35 O ATOM 680 CB ASP A 57 -4.046 -6.998 -7.205 1.00 0.49 C ATOM 681 CG ASP A 57 -4.638 -5.790 -7.909 1.00 0.93 C ATOM 682 OD1 ASP A 57 -5.882 -5.690 -7.989 1.00 0.98 O ATOM 683 OD2 ASP A 57 -3.861 -4.946 -8.407 1.00 1.84 O ATOM 0 H ASP A 57 -6.096 -6.503 -5.849 1.00 0.30 H new ATOM 0 HA ASP A 57 -3.681 -7.843 -5.303 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -3.023 -7.143 -7.552 1.00 0.49 H new ATOM 0 HB3 ASP A 57 -4.609 -7.886 -7.492 1.00 0.49 H new ATOM 688 N GLU A 58 -2.136 -6.160 -4.433 1.00 0.27 N ATOM 689 CA GLU A 58 -1.316 -5.222 -3.704 1.00 0.27 C ATOM 690 C GLU A 58 -0.689 -4.185 -4.620 1.00 0.23 C ATOM 691 O GLU A 58 -0.273 -4.479 -5.743 1.00 0.28 O ATOM 692 CB GLU A 58 -0.256 -5.967 -2.904 1.00 0.42 C ATOM 693 CG GLU A 58 1.027 -6.219 -3.656 1.00 0.44 C ATOM 694 CD GLU A 58 1.810 -7.379 -3.075 1.00 0.67 C ATOM 695 OE1 GLU A 58 1.381 -8.541 -3.230 1.00 1.00 O ATOM 696 OE2 GLU A 58 2.890 -7.136 -2.490 1.00 0.83 O ATOM 0 H GLU A 58 -1.879 -7.137 -4.291 1.00 0.27 H new ATOM 0 HA GLU A 58 -1.959 -4.679 -3.011 1.00 0.27 H new ATOM 0 HB2 GLU A 58 -0.029 -5.396 -2.004 1.00 0.42 H new ATOM 0 HB3 GLU A 58 -0.667 -6.923 -2.580 1.00 0.42 H new ATOM 0 HG2 GLU A 58 0.799 -6.424 -4.702 1.00 0.44 H new ATOM 0 HG3 GLU A 58 1.642 -5.320 -3.634 1.00 0.44 H new ATOM 703 N CYS A 59 -0.652 -2.968 -4.130 1.00 0.19 N ATOM 704 CA CYS A 59 -0.113 -1.859 -4.878 1.00 0.20 C ATOM 705 C CYS A 59 1.318 -1.609 -4.449 1.00 0.17 C ATOM 706 O CYS A 59 1.571 -1.064 -3.375 1.00 0.17 O ATOM 707 CB CYS A 59 -0.972 -0.612 -4.664 1.00 0.27 C ATOM 708 SG CYS A 59 -2.709 -0.839 -5.113 1.00 0.36 S ATOM 0 H CYS A 59 -0.995 -2.720 -3.202 1.00 0.19 H new ATOM 0 HA CYS A 59 -0.124 -2.098 -5.941 1.00 0.20 H new ATOM 0 HB2 CYS A 59 -0.912 -0.316 -3.617 1.00 0.27 H new ATOM 0 HB3 CYS A 59 -0.559 0.208 -5.251 1.00 0.27 H new ATOM 0 HG CYS A 59 -3.147 0.231 -5.707 1.00 0.36 H new ATOM 714 N ILE A 60 2.246 -2.067 -5.267 1.00 0.18 N ATOM 715 CA ILE A 60 3.654 -1.868 -5.016 1.00 0.16 C ATOM 716 C ILE A 60 4.036 -0.418 -5.289 1.00 0.16 C ATOM 717 O ILE A 60 3.866 0.079 -6.404 1.00 0.18 O ATOM 718 CB ILE A 60 4.497 -2.797 -5.915 1.00 0.21 C ATOM 719 CG1 ILE A 60 4.153 -4.263 -5.658 1.00 0.44 C ATOM 720 CG2 ILE A 60 5.976 -2.549 -5.693 1.00 0.27 C ATOM 721 CD1 ILE A 60 4.627 -4.768 -4.323 1.00 0.74 C ATOM 0 H ILE A 60 2.042 -2.586 -6.121 1.00 0.18 H new ATOM 0 HA ILE A 60 3.853 -2.104 -3.971 1.00 0.16 H new ATOM 0 HB ILE A 60 4.260 -2.572 -6.955 1.00 0.21 H new ATOM 0 HG12 ILE A 60 3.072 -4.391 -5.722 1.00 0.44 H new ATOM 0 HG13 ILE A 60 4.594 -4.874 -6.446 1.00 0.44 H new ATOM 0 HG21 ILE A 60 6.556 -3.212 -6.334 1.00 0.27 H new ATOM 0 HG22 ILE A 60 6.211 -1.513 -5.935 1.00 0.27 H new ATOM 0 HG23 ILE A 60 6.225 -2.744 -4.650 1.00 0.27 H new ATOM 0 HD11 ILE A 60 4.348 -5.816 -4.210 1.00 0.74 H new ATOM 0 HD12 ILE A 60 5.711 -4.673 -4.262 1.00 0.74 H new ATOM 0 HD13 ILE A 60 4.166 -4.182 -3.528 1.00 0.74 H new ATOM 733 N GLY A 61 4.543 0.254 -4.266 1.00 0.16 N ATOM 734 CA GLY A 61 4.934 1.643 -4.407 1.00 0.20 C ATOM 735 C GLY A 61 6.333 1.791 -4.963 1.00 0.21 C ATOM 736 O GLY A 61 6.904 0.831 -5.486 1.00 0.23 O ATOM 0 H GLY A 61 4.691 -0.139 -3.337 1.00 0.16 H new ATOM 0 HA2 GLY A 61 4.229 2.152 -5.064 1.00 0.20 H new ATOM 0 HA3 GLY A 61 4.877 2.135 -3.436 1.00 0.20 H new ATOM 740 N GLU A 62 6.892 2.984 -4.849 1.00 0.27 N ATOM 741 CA GLU A 62 8.236 3.242 -5.337 1.00 0.31 C ATOM 742 C GLU A 62 9.260 2.747 -4.324 1.00 0.25 C ATOM 743 O GLU A 62 9.057 2.889 -3.118 1.00 0.29 O ATOM 744 CB GLU A 62 8.438 4.742 -5.568 1.00 0.47 C ATOM 745 CG GLU A 62 7.505 5.344 -6.605 1.00 0.79 C ATOM 746 CD GLU A 62 7.719 6.835 -6.773 1.00 1.07 C ATOM 747 OE1 GLU A 62 8.715 7.235 -7.407 1.00 1.37 O ATOM 748 OE2 GLU A 62 6.884 7.623 -6.274 1.00 1.32 O ATOM 0 H GLU A 62 6.435 3.790 -4.422 1.00 0.27 H new ATOM 0 HA GLU A 62 8.370 2.713 -6.280 1.00 0.31 H new ATOM 0 HB2 GLU A 62 8.298 5.266 -4.622 1.00 0.47 H new ATOM 0 HB3 GLU A 62 9.468 4.915 -5.879 1.00 0.47 H new ATOM 0 HG2 GLU A 62 7.660 4.847 -7.562 1.00 0.79 H new ATOM 0 HG3 GLU A 62 6.472 5.158 -6.313 1.00 0.79 H new ATOM 755 N PRO A 63 10.356 2.132 -4.796 1.00 0.24 N ATOM 756 CA PRO A 63 11.480 1.774 -3.932 1.00 0.24 C ATOM 757 C PRO A 63 12.034 3.013 -3.240 1.00 0.21 C ATOM 758 O PRO A 63 12.638 3.879 -3.881 1.00 0.24 O ATOM 759 CB PRO A 63 12.511 1.178 -4.894 1.00 0.32 C ATOM 760 CG PRO A 63 11.727 0.763 -6.093 1.00 0.51 C ATOM 761 CD PRO A 63 10.577 1.727 -6.192 1.00 0.30 C ATOM 0 HA PRO A 63 11.202 1.080 -3.139 1.00 0.24 H new ATOM 0 HB2 PRO A 63 13.275 1.910 -5.156 1.00 0.32 H new ATOM 0 HB3 PRO A 63 13.025 0.328 -4.445 1.00 0.32 H new ATOM 0 HG2 PRO A 63 12.342 0.797 -6.992 1.00 0.51 H new ATOM 0 HG3 PRO A 63 11.369 -0.261 -5.990 1.00 0.51 H new ATOM 0 HD2 PRO A 63 10.820 2.580 -6.825 1.00 0.30 H new ATOM 0 HD3 PRO A 63 9.692 1.255 -6.619 1.00 0.30 H new ATOM 769 N MET A 64 11.826 3.093 -1.938 1.00 0.19 N ATOM 770 CA MET A 64 12.101 4.306 -1.187 1.00 0.20 C ATOM 771 C MET A 64 13.250 4.106 -0.219 1.00 0.21 C ATOM 772 O MET A 64 13.363 3.060 0.409 1.00 0.26 O ATOM 773 CB MET A 64 10.859 4.728 -0.408 1.00 0.24 C ATOM 774 CG MET A 64 9.790 5.374 -1.266 1.00 0.32 C ATOM 775 SD MET A 64 10.357 6.904 -2.023 1.00 0.62 S ATOM 776 CE MET A 64 8.820 7.532 -2.683 1.00 0.67 C ATOM 0 H MET A 64 11.464 2.324 -1.374 1.00 0.19 H new ATOM 0 HA MET A 64 12.377 5.083 -1.899 1.00 0.20 H new ATOM 0 HB2 MET A 64 10.436 3.853 0.085 1.00 0.24 H new ATOM 0 HB3 MET A 64 11.153 5.425 0.376 1.00 0.24 H new ATOM 0 HG2 MET A 64 9.483 4.677 -2.046 1.00 0.32 H new ATOM 0 HG3 MET A 64 8.910 5.577 -0.655 1.00 0.32 H new ATOM 0 HE1 MET A 64 9.027 8.179 -3.535 1.00 0.67 H new ATOM 0 HE2 MET A 64 8.194 6.699 -3.004 1.00 0.67 H new ATOM 0 HE3 MET A 64 8.299 8.102 -1.913 1.00 0.67 H new ATOM 786 N PRO A 65 14.107 5.120 -0.069 1.00 0.23 N ATOM 787 CA PRO A 65 15.252 5.062 0.843 1.00 0.26 C ATOM 788 C PRO A 65 14.862 5.254 2.311 1.00 0.25 C ATOM 789 O PRO A 65 15.727 5.417 3.174 1.00 0.27 O ATOM 790 CB PRO A 65 16.121 6.226 0.371 1.00 0.31 C ATOM 791 CG PRO A 65 15.148 7.214 -0.173 1.00 0.32 C ATOM 792 CD PRO A 65 14.043 6.405 -0.795 1.00 0.29 C ATOM 0 HA PRO A 65 15.742 4.089 0.814 1.00 0.26 H new ATOM 0 HB2 PRO A 65 16.700 6.649 1.192 1.00 0.31 H new ATOM 0 HB3 PRO A 65 16.833 5.908 -0.391 1.00 0.31 H new ATOM 0 HG2 PRO A 65 14.763 7.859 0.617 1.00 0.32 H new ATOM 0 HG3 PRO A 65 15.621 7.862 -0.911 1.00 0.32 H new ATOM 0 HD2 PRO A 65 13.074 6.888 -0.672 1.00 0.29 H new ATOM 0 HD3 PRO A 65 14.198 6.270 -1.865 1.00 0.29 H new ATOM 800 N SER A 66 13.562 5.249 2.600 1.00 0.23 N ATOM 801 CA SER A 66 13.071 5.420 3.960 1.00 0.24 C ATOM 802 C SER A 66 11.696 4.765 4.091 1.00 0.22 C ATOM 803 O SER A 66 10.850 4.888 3.205 1.00 0.20 O ATOM 804 CB SER A 66 12.993 6.909 4.307 1.00 0.29 C ATOM 805 OG SER A 66 14.268 7.527 4.195 1.00 1.30 O ATOM 0 H SER A 66 12.828 5.127 1.903 1.00 0.23 H new ATOM 0 HA SER A 66 13.759 4.941 4.657 1.00 0.24 H new ATOM 0 HB2 SER A 66 12.286 7.404 3.642 1.00 0.29 H new ATOM 0 HB3 SER A 66 12.615 7.030 5.322 1.00 0.29 H new ATOM 0 HG SER A 66 14.192 8.478 4.420 1.00 1.30 H new ATOM 811 N VAL A 67 11.497 4.060 5.200 1.00 0.25 N ATOM 812 CA VAL A 67 10.323 3.203 5.381 1.00 0.26 C ATOM 813 C VAL A 67 9.011 3.981 5.440 1.00 0.25 C ATOM 814 O VAL A 67 7.979 3.485 4.983 1.00 0.29 O ATOM 815 CB VAL A 67 10.438 2.324 6.648 1.00 0.37 C ATOM 816 CG1 VAL A 67 11.512 1.267 6.475 1.00 1.14 C ATOM 817 CG2 VAL A 67 10.733 3.173 7.874 1.00 1.08 C ATOM 0 H VAL A 67 12.137 4.064 5.994 1.00 0.25 H new ATOM 0 HA VAL A 67 10.303 2.568 4.495 1.00 0.26 H new ATOM 0 HB VAL A 67 9.480 1.826 6.795 1.00 0.37 H new ATOM 0 HG11 VAL A 67 11.575 0.661 7.379 1.00 1.14 H new ATOM 0 HG12 VAL A 67 11.262 0.629 5.627 1.00 1.14 H new ATOM 0 HG13 VAL A 67 12.472 1.750 6.295 1.00 1.14 H new ATOM 0 HG21 VAL A 67 10.809 2.531 8.752 1.00 1.08 H new ATOM 0 HG22 VAL A 67 11.674 3.705 7.731 1.00 1.08 H new ATOM 0 HG23 VAL A 67 9.928 3.893 8.020 1.00 1.08 H new ATOM 827 N LYS A 68 9.036 5.181 6.005 1.00 0.29 N ATOM 828 CA LYS A 68 7.832 5.969 6.168 1.00 0.32 C ATOM 829 C LYS A 68 7.275 6.423 4.821 1.00 0.30 C ATOM 830 O LYS A 68 6.063 6.397 4.603 1.00 0.33 O ATOM 831 CB LYS A 68 8.128 7.178 7.047 1.00 0.41 C ATOM 832 CG LYS A 68 6.903 7.709 7.744 1.00 1.12 C ATOM 833 CD LYS A 68 7.236 8.873 8.660 1.00 1.56 C ATOM 834 CE LYS A 68 5.994 9.415 9.349 1.00 2.37 C ATOM 835 NZ LYS A 68 5.308 8.373 10.157 1.00 2.82 N ATOM 0 H LYS A 68 9.883 5.627 6.358 1.00 0.29 H new ATOM 0 HA LYS A 68 7.077 5.344 6.646 1.00 0.32 H new ATOM 0 HB2 LYS A 68 8.875 6.905 7.793 1.00 0.41 H new ATOM 0 HB3 LYS A 68 8.563 7.968 6.435 1.00 0.41 H new ATOM 0 HG2 LYS A 68 6.172 8.028 7.001 1.00 1.12 H new ATOM 0 HG3 LYS A 68 6.440 6.911 8.324 1.00 1.12 H new ATOM 0 HD2 LYS A 68 7.958 8.551 9.410 1.00 1.56 H new ATOM 0 HD3 LYS A 68 7.709 9.668 8.083 1.00 1.56 H new ATOM 0 HE2 LYS A 68 6.271 10.249 9.993 1.00 2.37 H new ATOM 0 HE3 LYS A 68 5.305 9.806 8.600 1.00 2.37 H new ATOM 0 HZ1 LYS A 68 4.618 8.824 10.791 1.00 2.82 H new ATOM 0 HZ2 LYS A 68 4.816 7.711 9.524 1.00 2.82 H new ATOM 0 HZ3 LYS A 68 6.010 7.854 10.723 1.00 2.82 H new ATOM 849 N LYS A 69 8.157 6.829 3.914 1.00 0.29 N ATOM 850 CA LYS A 69 7.733 7.296 2.602 1.00 0.32 C ATOM 851 C LYS A 69 7.462 6.112 1.676 1.00 0.24 C ATOM 852 O LYS A 69 6.763 6.243 0.674 1.00 0.24 O ATOM 853 CB LYS A 69 8.780 8.239 1.995 1.00 0.47 C ATOM 854 CG LYS A 69 10.120 7.579 1.752 1.00 0.57 C ATOM 855 CD LYS A 69 11.233 8.585 1.459 1.00 0.45 C ATOM 856 CE LYS A 69 11.009 9.355 0.161 1.00 0.90 C ATOM 857 NZ LYS A 69 10.100 10.521 0.332 1.00 1.36 N ATOM 0 H LYS A 69 9.166 6.844 4.064 1.00 0.29 H new ATOM 0 HA LYS A 69 6.806 7.857 2.719 1.00 0.32 H new ATOM 0 HB2 LYS A 69 8.401 8.631 1.051 1.00 0.47 H new ATOM 0 HB3 LYS A 69 8.919 9.091 2.661 1.00 0.47 H new ATOM 0 HG2 LYS A 69 10.392 6.988 2.626 1.00 0.57 H new ATOM 0 HG3 LYS A 69 10.032 6.887 0.914 1.00 0.57 H new ATOM 0 HD2 LYS A 69 11.305 9.291 2.287 1.00 0.45 H new ATOM 0 HD3 LYS A 69 12.186 8.059 1.404 1.00 0.45 H new ATOM 0 HE2 LYS A 69 11.969 9.702 -0.221 1.00 0.90 H new ATOM 0 HE3 LYS A 69 10.592 8.682 -0.588 1.00 0.90 H new ATOM 0 HZ1 LYS A 69 9.230 10.366 -0.217 1.00 1.36 H new ATOM 0 HZ2 LYS A 69 9.860 10.630 1.338 1.00 1.36 H new ATOM 0 HZ3 LYS A 69 10.574 11.383 -0.006 1.00 1.36 H new ATOM 871 N ALA A 70 8.026 4.953 2.020 1.00 0.21 N ATOM 872 CA ALA A 70 7.772 3.721 1.277 1.00 0.19 C ATOM 873 C ALA A 70 6.288 3.372 1.279 1.00 0.16 C ATOM 874 O ALA A 70 5.658 3.304 0.221 1.00 0.17 O ATOM 875 CB ALA A 70 8.590 2.576 1.861 1.00 0.21 C ATOM 0 H ALA A 70 8.662 4.843 2.810 1.00 0.21 H new ATOM 0 HA ALA A 70 8.076 3.880 0.242 1.00 0.19 H new ATOM 0 HB1 ALA A 70 8.392 1.664 1.299 1.00 0.21 H new ATOM 0 HB2 ALA A 70 9.651 2.818 1.798 1.00 0.21 H new ATOM 0 HB3 ALA A 70 8.313 2.426 2.905 1.00 0.21 H new ATOM 881 N LYS A 71 5.729 3.144 2.472 1.00 0.15 N ATOM 882 CA LYS A 71 4.305 2.865 2.623 1.00 0.17 C ATOM 883 C LYS A 71 3.470 3.985 2.015 1.00 0.16 C ATOM 884 O LYS A 71 2.483 3.737 1.323 1.00 0.17 O ATOM 885 CB LYS A 71 3.959 2.663 4.100 1.00 0.29 C ATOM 886 CG LYS A 71 4.040 3.928 4.917 1.00 0.92 C ATOM 887 CD LYS A 71 3.580 3.727 6.355 1.00 1.29 C ATOM 888 CE LYS A 71 2.074 3.537 6.459 1.00 1.99 C ATOM 889 NZ LYS A 71 1.327 4.771 6.096 1.00 2.42 N ATOM 0 H LYS A 71 6.249 3.148 3.350 1.00 0.15 H new ATOM 0 HA LYS A 71 4.071 1.945 2.087 1.00 0.17 H new ATOM 0 HB2 LYS A 71 2.951 2.255 4.176 1.00 0.29 H new ATOM 0 HB3 LYS A 71 4.636 1.922 4.525 1.00 0.29 H new ATOM 0 HG2 LYS A 71 5.067 4.292 4.916 1.00 0.92 H new ATOM 0 HG3 LYS A 71 3.428 4.699 4.448 1.00 0.92 H new ATOM 0 HD2 LYS A 71 4.084 2.857 6.777 1.00 1.29 H new ATOM 0 HD3 LYS A 71 3.877 4.589 6.953 1.00 1.29 H new ATOM 0 HE2 LYS A 71 1.766 2.722 5.804 1.00 1.99 H new ATOM 0 HE3 LYS A 71 1.816 3.244 7.476 1.00 1.99 H new ATOM 0 HZ1 LYS A 71 0.337 4.680 6.402 1.00 2.42 H new ATOM 0 HZ2 LYS A 71 1.761 5.591 6.566 1.00 2.42 H new ATOM 0 HZ3 LYS A 71 1.359 4.906 5.065 1.00 2.42 H new ATOM 903 N ASP A 72 3.886 5.210 2.293 1.00 0.19 N ATOM 904 CA ASP A 72 3.244 6.405 1.749 1.00 0.24 C ATOM 905 C ASP A 72 3.105 6.339 0.229 1.00 0.22 C ATOM 906 O ASP A 72 2.032 6.618 -0.310 1.00 0.23 O ATOM 907 CB ASP A 72 4.037 7.650 2.147 1.00 0.32 C ATOM 908 CG ASP A 72 3.365 8.933 1.712 1.00 1.06 C ATOM 909 OD1 ASP A 72 2.277 9.250 2.238 1.00 0.99 O ATOM 910 OD2 ASP A 72 3.912 9.626 0.825 1.00 2.01 O ATOM 0 H ASP A 72 4.679 5.409 2.903 1.00 0.19 H new ATOM 0 HA ASP A 72 2.240 6.459 2.169 1.00 0.24 H new ATOM 0 HB2 ASP A 72 4.168 7.662 3.229 1.00 0.32 H new ATOM 0 HB3 ASP A 72 5.032 7.598 1.706 1.00 0.32 H new ATOM 915 N SER A 73 4.180 5.964 -0.455 1.00 0.21 N ATOM 916 CA SER A 73 4.176 5.873 -1.912 1.00 0.24 C ATOM 917 C SER A 73 3.144 4.861 -2.410 1.00 0.20 C ATOM 918 O SER A 73 2.362 5.156 -3.317 1.00 0.24 O ATOM 919 CB SER A 73 5.572 5.486 -2.411 1.00 0.30 C ATOM 920 OG SER A 73 5.603 5.365 -3.823 1.00 1.14 O ATOM 0 H SER A 73 5.070 5.717 -0.022 1.00 0.21 H new ATOM 0 HA SER A 73 3.902 6.850 -2.309 1.00 0.24 H new ATOM 0 HB2 SER A 73 6.295 6.238 -2.093 1.00 0.30 H new ATOM 0 HB3 SER A 73 5.873 4.542 -1.957 1.00 0.30 H new ATOM 0 HG SER A 73 6.250 6.002 -4.192 1.00 1.14 H new ATOM 926 N ALA A 74 3.133 3.678 -1.810 1.00 0.16 N ATOM 927 CA ALA A 74 2.229 2.619 -2.247 1.00 0.17 C ATOM 928 C ALA A 74 0.779 3.013 -1.985 1.00 0.16 C ATOM 929 O ALA A 74 -0.112 2.742 -2.793 1.00 0.17 O ATOM 930 CB ALA A 74 2.561 1.319 -1.541 1.00 0.18 C ATOM 0 H ALA A 74 3.734 3.427 -1.025 1.00 0.16 H new ATOM 0 HA ALA A 74 2.357 2.474 -3.320 1.00 0.17 H new ATOM 0 HB1 ALA A 74 1.879 0.538 -1.877 1.00 0.18 H new ATOM 0 HB2 ALA A 74 3.586 1.030 -1.774 1.00 0.18 H new ATOM 0 HB3 ALA A 74 2.457 1.453 -0.464 1.00 0.18 H new ATOM 936 N ALA A 75 0.565 3.662 -0.844 1.00 0.18 N ATOM 937 CA ALA A 75 -0.743 4.180 -0.467 1.00 0.21 C ATOM 938 C ALA A 75 -1.312 5.093 -1.552 1.00 0.21 C ATOM 939 O ALA A 75 -2.512 5.070 -1.815 1.00 0.24 O ATOM 940 CB ALA A 75 -0.653 4.928 0.852 1.00 0.26 C ATOM 0 H ALA A 75 1.295 3.843 -0.155 1.00 0.18 H new ATOM 0 HA ALA A 75 -1.418 3.332 -0.351 1.00 0.21 H new ATOM 0 HB1 ALA A 75 -1.638 5.310 1.122 1.00 0.26 H new ATOM 0 HB2 ALA A 75 -0.300 4.252 1.631 1.00 0.26 H new ATOM 0 HB3 ALA A 75 0.044 5.760 0.752 1.00 0.26 H new ATOM 946 N VAL A 76 -0.449 5.885 -2.199 1.00 0.21 N ATOM 947 CA VAL A 76 -0.874 6.802 -3.254 1.00 0.25 C ATOM 948 C VAL A 76 -1.544 6.043 -4.396 1.00 0.20 C ATOM 949 O VAL A 76 -2.581 6.462 -4.909 1.00 0.21 O ATOM 950 CB VAL A 76 0.322 7.602 -3.821 1.00 0.36 C ATOM 951 CG1 VAL A 76 -0.117 8.519 -4.952 1.00 0.77 C ATOM 952 CG2 VAL A 76 1.002 8.403 -2.724 1.00 0.83 C ATOM 0 H VAL A 76 0.552 5.906 -2.006 1.00 0.21 H new ATOM 0 HA VAL A 76 -1.587 7.495 -2.806 1.00 0.25 H new ATOM 0 HB VAL A 76 1.039 6.887 -4.224 1.00 0.36 H new ATOM 0 HG11 VAL A 76 0.745 9.068 -5.330 1.00 0.77 H new ATOM 0 HG12 VAL A 76 -0.549 7.924 -5.756 1.00 0.77 H new ATOM 0 HG13 VAL A 76 -0.862 9.223 -4.581 1.00 0.77 H new ATOM 0 HG21 VAL A 76 1.840 8.958 -3.145 1.00 0.83 H new ATOM 0 HG22 VAL A 76 0.288 9.101 -2.287 1.00 0.83 H new ATOM 0 HG23 VAL A 76 1.367 7.726 -1.952 1.00 0.83 H new ATOM 962 N LEU A 77 -0.963 4.908 -4.757 1.00 0.19 N ATOM 963 CA LEU A 77 -1.462 4.111 -5.866 1.00 0.21 C ATOM 964 C LEU A 77 -2.697 3.340 -5.427 1.00 0.22 C ATOM 965 O LEU A 77 -3.601 3.064 -6.218 1.00 0.28 O ATOM 966 CB LEU A 77 -0.376 3.148 -6.342 1.00 0.26 C ATOM 967 CG LEU A 77 0.920 3.808 -6.817 1.00 0.32 C ATOM 968 CD1 LEU A 77 1.944 2.752 -7.201 1.00 0.39 C ATOM 969 CD2 LEU A 77 0.649 4.736 -7.992 1.00 0.39 C ATOM 0 H LEU A 77 -0.142 4.518 -4.295 1.00 0.19 H new ATOM 0 HA LEU A 77 -1.732 4.769 -6.692 1.00 0.21 H new ATOM 0 HB2 LEU A 77 -0.139 2.463 -5.528 1.00 0.26 H new ATOM 0 HB3 LEU A 77 -0.778 2.547 -7.157 1.00 0.26 H new ATOM 0 HG LEU A 77 1.324 4.401 -5.996 1.00 0.32 H new ATOM 0 HD11 LEU A 77 2.860 3.238 -7.537 1.00 0.39 H new ATOM 0 HD12 LEU A 77 2.162 2.125 -6.336 1.00 0.39 H new ATOM 0 HD13 LEU A 77 1.545 2.134 -8.006 1.00 0.39 H new ATOM 0 HD21 LEU A 77 1.583 5.196 -8.315 1.00 0.39 H new ATOM 0 HD22 LEU A 77 0.222 4.165 -8.816 1.00 0.39 H new ATOM 0 HD23 LEU A 77 -0.052 5.513 -7.688 1.00 0.39 H new ATOM 981 N LEU A 78 -2.719 3.010 -4.147 1.00 0.22 N ATOM 982 CA LEU A 78 -3.832 2.315 -3.525 1.00 0.27 C ATOM 983 C LEU A 78 -5.088 3.185 -3.519 1.00 0.27 C ATOM 984 O LEU A 78 -6.186 2.721 -3.821 1.00 0.29 O ATOM 985 CB LEU A 78 -3.436 1.965 -2.099 1.00 0.36 C ATOM 986 CG LEU A 78 -4.498 1.267 -1.267 1.00 0.35 C ATOM 987 CD1 LEU A 78 -4.713 -0.155 -1.765 1.00 0.77 C ATOM 988 CD2 LEU A 78 -4.086 1.288 0.197 1.00 0.81 C ATOM 0 H LEU A 78 -1.956 3.220 -3.504 1.00 0.22 H new ATOM 0 HA LEU A 78 -4.058 1.412 -4.092 1.00 0.27 H new ATOM 0 HB2 LEU A 78 -2.553 1.327 -2.134 1.00 0.36 H new ATOM 0 HB3 LEU A 78 -3.147 2.883 -1.587 1.00 0.36 H new ATOM 0 HG LEU A 78 -5.447 1.795 -1.367 1.00 0.35 H new ATOM 0 HD11 LEU A 78 -5.477 -0.641 -1.158 1.00 0.77 H new ATOM 0 HD12 LEU A 78 -5.037 -0.131 -2.806 1.00 0.77 H new ATOM 0 HD13 LEU A 78 -3.779 -0.712 -1.688 1.00 0.77 H new ATOM 0 HD21 LEU A 78 -4.847 0.788 0.796 1.00 0.81 H new ATOM 0 HD22 LEU A 78 -3.134 0.771 0.314 1.00 0.81 H new ATOM 0 HD23 LEU A 78 -3.982 2.320 0.531 1.00 0.81 H new ATOM 1000 N LEU A 79 -4.909 4.447 -3.164 1.00 0.30 N ATOM 1001 CA LEU A 79 -6.010 5.403 -3.135 1.00 0.38 C ATOM 1002 C LEU A 79 -6.600 5.620 -4.528 1.00 0.34 C ATOM 1003 O LEU A 79 -7.742 6.058 -4.665 1.00 0.37 O ATOM 1004 CB LEU A 79 -5.551 6.730 -2.530 1.00 0.48 C ATOM 1005 CG LEU A 79 -5.780 6.876 -1.020 1.00 0.68 C ATOM 1006 CD1 LEU A 79 -5.092 5.758 -0.251 1.00 1.61 C ATOM 1007 CD2 LEU A 79 -5.288 8.232 -0.541 1.00 1.08 C ATOM 0 H LEU A 79 -4.007 4.837 -2.890 1.00 0.30 H new ATOM 0 HA LEU A 79 -6.796 4.986 -2.505 1.00 0.38 H new ATOM 0 HB2 LEU A 79 -4.487 6.854 -2.733 1.00 0.48 H new ATOM 0 HB3 LEU A 79 -6.070 7.542 -3.040 1.00 0.48 H new ATOM 0 HG LEU A 79 -6.851 6.804 -0.831 1.00 0.68 H new ATOM 0 HD11 LEU A 79 -5.271 5.887 0.816 1.00 1.61 H new ATOM 0 HD12 LEU A 79 -5.491 4.796 -0.572 1.00 1.61 H new ATOM 0 HD13 LEU A 79 -4.020 5.789 -0.445 1.00 1.61 H new ATOM 0 HD21 LEU A 79 -5.457 8.322 0.532 1.00 1.08 H new ATOM 0 HD22 LEU A 79 -4.222 8.327 -0.750 1.00 1.08 H new ATOM 0 HD23 LEU A 79 -5.832 9.021 -1.061 1.00 1.08 H new ATOM 1019 N GLU A 80 -5.818 5.314 -5.555 1.00 0.30 N ATOM 1020 CA GLU A 80 -6.305 5.353 -6.925 1.00 0.33 C ATOM 1021 C GLU A 80 -7.227 4.163 -7.182 1.00 0.27 C ATOM 1022 O GLU A 80 -8.250 4.280 -7.853 1.00 0.30 O ATOM 1023 CB GLU A 80 -5.122 5.307 -7.883 1.00 0.43 C ATOM 1024 CG GLU A 80 -4.091 6.388 -7.615 1.00 0.80 C ATOM 1025 CD GLU A 80 -4.569 7.773 -7.996 1.00 1.46 C ATOM 1026 OE1 GLU A 80 -4.357 8.178 -9.159 1.00 2.13 O ATOM 1027 OE2 GLU A 80 -5.151 8.467 -7.136 1.00 1.86 O ATOM 0 H GLU A 80 -4.841 5.035 -5.463 1.00 0.30 H new ATOM 0 HA GLU A 80 -6.865 6.275 -7.084 1.00 0.33 H new ATOM 0 HB2 GLU A 80 -4.642 4.331 -7.811 1.00 0.43 H new ATOM 0 HB3 GLU A 80 -5.487 5.408 -8.905 1.00 0.43 H new ATOM 0 HG2 GLU A 80 -3.830 6.379 -6.557 1.00 0.80 H new ATOM 0 HG3 GLU A 80 -3.181 6.159 -8.169 1.00 0.80 H new ATOM 1034 N LEU A 81 -6.850 3.028 -6.610 1.00 0.23 N ATOM 1035 CA LEU A 81 -7.619 1.797 -6.718 1.00 0.24 C ATOM 1036 C LEU A 81 -8.947 1.963 -5.983 1.00 0.25 C ATOM 1037 O LEU A 81 -10.010 1.619 -6.497 1.00 0.32 O ATOM 1038 CB LEU A 81 -6.812 0.648 -6.105 1.00 0.31 C ATOM 1039 CG LEU A 81 -7.089 -0.753 -6.656 1.00 0.41 C ATOM 1040 CD1 LEU A 81 -6.073 -1.735 -6.096 1.00 1.08 C ATOM 1041 CD2 LEU A 81 -8.499 -1.219 -6.322 1.00 1.17 C ATOM 0 H LEU A 81 -5.999 2.935 -6.056 1.00 0.23 H new ATOM 0 HA LEU A 81 -7.822 1.573 -7.765 1.00 0.24 H new ATOM 0 HB2 LEU A 81 -5.753 0.865 -6.242 1.00 0.31 H new ATOM 0 HB3 LEU A 81 -6.999 0.635 -5.031 1.00 0.31 H new ATOM 0 HG LEU A 81 -7.001 -0.711 -7.742 1.00 0.41 H new ATOM 0 HD11 LEU A 81 -6.274 -2.731 -6.491 1.00 1.08 H new ATOM 0 HD12 LEU A 81 -5.069 -1.425 -6.386 1.00 1.08 H new ATOM 0 HD13 LEU A 81 -6.146 -1.754 -5.009 1.00 1.08 H new ATOM 0 HD21 LEU A 81 -8.658 -2.217 -6.730 1.00 1.17 H new ATOM 0 HD22 LEU A 81 -8.627 -1.244 -5.240 1.00 1.17 H new ATOM 0 HD23 LEU A 81 -9.223 -0.530 -6.757 1.00 1.17 H new ATOM 1053 N LEU A 82 -8.864 2.509 -4.775 1.00 0.28 N ATOM 1054 CA LEU A 82 -10.027 2.769 -3.940 1.00 0.41 C ATOM 1055 C LEU A 82 -10.954 3.819 -4.547 1.00 0.46 C ATOM 1056 O LEU A 82 -12.112 3.939 -4.155 1.00 0.63 O ATOM 1057 CB LEU A 82 -9.548 3.213 -2.561 1.00 0.50 C ATOM 1058 CG LEU A 82 -9.505 2.112 -1.501 1.00 0.59 C ATOM 1059 CD1 LEU A 82 -9.029 0.785 -2.081 1.00 0.86 C ATOM 1060 CD2 LEU A 82 -8.615 2.531 -0.342 1.00 1.15 C ATOM 0 H LEU A 82 -7.981 2.785 -4.346 1.00 0.28 H new ATOM 0 HA LEU A 82 -10.608 1.850 -3.862 1.00 0.41 H new ATOM 0 HB2 LEU A 82 -8.549 3.639 -2.661 1.00 0.50 H new ATOM 0 HB3 LEU A 82 -10.201 4.011 -2.207 1.00 0.50 H new ATOM 0 HG LEU A 82 -10.522 1.966 -1.137 1.00 0.59 H new ATOM 0 HD11 LEU A 82 -9.013 0.030 -1.295 1.00 0.86 H new ATOM 0 HD12 LEU A 82 -9.708 0.470 -2.874 1.00 0.86 H new ATOM 0 HD13 LEU A 82 -8.026 0.905 -2.489 1.00 0.86 H new ATOM 0 HD21 LEU A 82 -8.593 1.738 0.405 1.00 1.15 H new ATOM 0 HD22 LEU A 82 -7.604 2.713 -0.707 1.00 1.15 H new ATOM 0 HD23 LEU A 82 -9.008 3.443 0.108 1.00 1.15 H new ATOM 1072 N ASN A 83 -10.444 4.569 -5.506 1.00 0.45 N ATOM 1073 CA ASN A 83 -11.256 5.561 -6.199 1.00 0.55 C ATOM 1074 C ASN A 83 -12.038 4.892 -7.329 1.00 0.53 C ATOM 1075 O ASN A 83 -12.889 5.507 -7.975 1.00 0.59 O ATOM 1076 CB ASN A 83 -10.367 6.684 -6.745 1.00 0.67 C ATOM 1077 CG ASN A 83 -11.162 7.831 -7.339 1.00 0.85 C ATOM 1078 OD1 ASN A 83 -11.426 7.867 -8.541 1.00 1.37 O ATOM 1079 ND2 ASN A 83 -11.552 8.774 -6.499 1.00 1.46 N ATOM 0 H ASN A 83 -9.476 4.514 -5.824 1.00 0.45 H new ATOM 0 HA ASN A 83 -11.965 5.998 -5.496 1.00 0.55 H new ATOM 0 HB2 ASN A 83 -9.736 7.064 -5.942 1.00 0.67 H new ATOM 0 HB3 ASN A 83 -9.702 6.276 -7.507 1.00 0.67 H new ATOM 0 HD21 ASN A 83 -12.093 9.569 -6.840 1.00 1.46 H new ATOM 0 HD22 ASN A 83 -11.312 8.707 -5.510 1.00 1.46 H new ATOM 1086 N LYS A 84 -11.766 3.609 -7.531 1.00 0.50 N ATOM 1087 CA LYS A 84 -12.376 2.848 -8.609 1.00 0.58 C ATOM 1088 C LYS A 84 -13.133 1.649 -8.053 1.00 1.18 C ATOM 1089 O LYS A 84 -13.104 0.556 -8.619 1.00 1.86 O ATOM 1090 CB LYS A 84 -11.306 2.385 -9.597 1.00 1.18 C ATOM 1091 CG LYS A 84 -10.587 3.532 -10.280 1.00 1.90 C ATOM 1092 CD LYS A 84 -9.282 3.075 -10.911 1.00 2.86 C ATOM 1093 CE LYS A 84 -8.556 4.224 -11.596 1.00 3.49 C ATOM 1094 NZ LYS A 84 -9.356 4.807 -12.705 1.00 4.17 N ATOM 0 H LYS A 84 -11.119 3.071 -6.954 1.00 0.50 H new ATOM 0 HA LYS A 84 -13.083 3.492 -9.132 1.00 0.58 H new ATOM 0 HB2 LYS A 84 -10.577 1.770 -9.071 1.00 1.18 H new ATOM 0 HB3 LYS A 84 -11.769 1.753 -10.354 1.00 1.18 H new ATOM 0 HG2 LYS A 84 -11.232 3.962 -11.046 1.00 1.90 H new ATOM 0 HG3 LYS A 84 -10.385 4.320 -9.554 1.00 1.90 H new ATOM 0 HD2 LYS A 84 -8.639 2.643 -10.144 1.00 2.86 H new ATOM 0 HD3 LYS A 84 -9.485 2.288 -11.637 1.00 2.86 H new ATOM 0 HE2 LYS A 84 -8.333 5.000 -10.863 1.00 3.49 H new ATOM 0 HE3 LYS A 84 -7.602 3.869 -11.985 1.00 3.49 H new ATOM 0 HZ1 LYS A 84 -8.755 5.440 -13.271 1.00 4.17 H new ATOM 0 HZ2 LYS A 84 -9.719 4.043 -13.310 1.00 4.17 H new ATOM 0 HZ3 LYS A 84 -10.154 5.346 -12.312 1.00 4.17 H new ATOM 1108 N THR A 85 -13.807 1.865 -6.938 1.00 1.78 N ATOM 1109 CA THR A 85 -14.559 0.812 -6.280 1.00 2.69 C ATOM 1110 C THR A 85 -15.531 1.410 -5.265 1.00 3.28 C ATOM 1111 O THR A 85 -16.725 1.053 -5.300 1.00 3.79 O ATOM 1112 CB THR A 85 -13.630 -0.229 -5.604 1.00 3.20 C ATOM 1113 OG1 THR A 85 -14.404 -1.279 -5.004 1.00 3.79 O ATOM 1114 CG2 THR A 85 -12.745 0.417 -4.552 1.00 2.93 C ATOM 1115 OXT THR A 85 -15.111 2.272 -4.462 1.00 3.62 O ATOM 0 H THR A 85 -13.849 2.768 -6.466 1.00 1.78 H new ATOM 0 HA THR A 85 -15.128 0.285 -7.046 1.00 2.69 H new ATOM 0 HB THR A 85 -12.991 -0.650 -6.380 1.00 3.20 H new ATOM 0 HG1 THR A 85 -13.803 -1.929 -4.583 1.00 3.79 H new ATOM 0 HG21 THR A 85 -12.107 -0.341 -4.098 1.00 2.93 H new ATOM 0 HG22 THR A 85 -12.124 1.182 -5.019 1.00 2.93 H new ATOM 0 HG23 THR A 85 -13.368 0.874 -3.783 1.00 2.93 H new TER 1123 THR A 85