USER MOD reduce.3.24.130724 H: found=0, std=0, add=1260, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1257 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: B 55 THR OG1 : rot -70:sc= 1.18 USER MOD Set 1.2: B 57 SER OG : rot 180:sc= 0.085 USER MOD Set 2.1: B 6 LYS NZ :NH3+ -165:sc= 1.86 (180deg=0.41) USER MOD Set 2.2: B 12 THR OG1 : rot 180:sc= 1.01 USER MOD Set 3.1: A 60 ASN : amide:sc= 0.413 K(o=1.1,f=-1.7!) USER MOD Set 3.2: A 62 GLN : amide:sc= 0.646 K(o=1.1,f=-0.43) USER MOD Set 4.1: A 7 THR OG1 : rot 20:sc= 1.18 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -157:sc= 0 (180deg=-0.0298) USER MOD Single : A 1 MET N :NH3+ 155:sc= 1.65 (180deg=0.754!) USER MOD Single : A 2 GLN : amide:sc= 1.2 K(o=1.2,f=-0.024) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= 1.28 (180deg=1.18) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 147:sc= 1.41 USER MOD Single : A 25 ASN : amide:sc= 1.05 K(o=1,f=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 1.22 (180deg=-0.598!) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 1.2 (180deg=0.961) USER MOD Single : A 31 GLN : amide:sc= -0.451 K(o=-0.45,f=-3.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.8!) USER MOD Single : A 41 GLN : amide:sc= -1.58! C(o=-1.6!,f=-7.2!) USER MOD Single : A 48 LYS NZ :NH3+ 170:sc=-0.000739 (180deg=-0.0825) USER MOD Single : A 49 GLN : amide:sc= -4.75! C(o=-4.7!,f=-6!) USER MOD Single : A 55 THR OG1 : rot -2:sc= 0.746 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0275 USER MOD Single : A 59 TYR OH : rot -30:sc= 0.137 USER MOD Single : A 63 LYS NZ :NH3+ 154:sc= -0.151 (180deg=-0.744) USER MOD Single : A 65 SER OG : rot 72:sc= 0.944 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0401 X(o=-0.04,f=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 164:sc= 0.992 (180deg=0.914) USER MOD Single : B 2 GLN : amide:sc= -0.0252 K(o=-0.025,f=-0.99) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : B 9 THR OG1 : rot 180:sc= 0.0996 USER MOD Single : B 11 LYS NZ :NH3+ 155:sc= 1.17 (180deg=-0.124!) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0.0531 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.0067 USER MOD Single : B 25 ASN : amide:sc= 0.857 K(o=0.86,f=-1.1) USER MOD Single : B 27 LYS NZ :NH3+ -165:sc= 2.43 (180deg=1.78) USER MOD Single : B 29 LYS NZ :NH3+ -134:sc= 1.28 (180deg=0.775) USER MOD Single : B 31 GLN : amide:sc= -2.04! C(o=-2!,f=-1.7!) USER MOD Single : B 33 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00311) USER MOD Single : B 40 GLN : amide:sc= 0.407 K(o=0.41,f=-0.34) USER MOD Single : B 41 GLN : amide:sc= -1.37! C(o=-1.4!,f=-3.5!) USER MOD Single : B 48 LYS NZ :NH3+ 149:sc= 0.228 (180deg=0.0145) USER MOD Single : B 49 GLN : amide:sc= -3.4! C(o=-3.4!,f=-5.7!) USER MOD Single : B 59 TYR OH : rot 59:sc= 2.13 USER MOD Single : B 60 ASN : amide:sc= -1.15 X(o=-1.2,f=-1.3) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 112:sc= 1.32 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc= -0.0145 X(o=-0.014,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.721 23.388 6.918 1.00 0.86 N ATOM 2 CA MET A 1 -3.013 22.859 7.407 1.00 0.85 C ATOM 3 C MET A 1 -2.807 21.504 8.068 1.00 0.82 C ATOM 4 O MET A 1 -1.855 20.793 7.754 1.00 0.77 O ATOM 5 CB MET A 1 -4.017 22.744 6.256 1.00 0.81 C ATOM 6 CG MET A 1 -3.565 21.839 5.119 1.00 0.73 C ATOM 7 SD MET A 1 -4.599 22.013 3.652 1.00 0.79 S ATOM 8 CE MET A 1 -3.841 20.819 2.555 1.00 0.71 C ATOM 0 H1 MET A 1 -1.891 24.051 6.135 1.00 0.86 H new ATOM 0 H2 MET A 1 -1.234 23.883 7.692 1.00 0.86 H new ATOM 0 H3 MET A 1 -1.128 22.602 6.583 1.00 0.86 H new ATOM 0 HA MET A 1 -3.416 23.552 8.145 1.00 0.85 H new ATOM 0 HB2 MET A 1 -4.962 22.369 6.650 1.00 0.81 H new ATOM 0 HB3 MET A 1 -4.211 23.740 5.857 1.00 0.81 H new ATOM 0 HG2 MET A 1 -2.532 22.071 4.862 1.00 0.73 H new ATOM 0 HG3 MET A 1 -3.585 20.802 5.454 1.00 0.73 H new ATOM 0 HE1 MET A 1 -4.071 21.077 1.521 1.00 0.71 H new ATOM 0 HE2 MET A 1 -2.761 20.827 2.699 1.00 0.71 H new ATOM 0 HE3 MET A 1 -4.229 19.825 2.776 1.00 0.71 H new ATOM 20 N GLN A 2 -3.705 21.148 8.972 1.00 0.85 N ATOM 21 CA GLN A 2 -3.614 19.887 9.693 1.00 0.84 C ATOM 22 C GLN A 2 -4.249 18.759 8.887 1.00 0.75 C ATOM 23 O GLN A 2 -5.195 18.980 8.127 1.00 0.76 O ATOM 24 CB GLN A 2 -4.300 20.020 11.061 1.00 0.95 C ATOM 25 CG GLN A 2 -4.371 18.724 11.854 1.00 1.04 C ATOM 26 CD GLN A 2 -4.922 18.928 13.251 1.00 1.15 C ATOM 27 OE1 GLN A 2 -4.167 19.119 14.203 1.00 1.32 O ATOM 28 NE2 GLN A 2 -6.237 18.896 13.383 1.00 1.48 N ATOM 0 H GLN A 2 -4.511 21.719 9.226 1.00 0.85 H new ATOM 0 HA GLN A 2 -2.562 19.645 9.845 1.00 0.84 H new ATOM 0 HB2 GLN A 2 -3.766 20.765 11.651 1.00 0.95 H new ATOM 0 HB3 GLN A 2 -5.312 20.397 10.912 1.00 0.95 H new ATOM 0 HG2 GLN A 2 -4.998 18.009 11.321 1.00 1.04 H new ATOM 0 HG3 GLN A 2 -3.375 18.287 11.920 1.00 1.04 H new ATOM 0 HE21 GLN A 2 -6.828 18.735 12.567 1.00 1.48 H new ATOM 0 HE22 GLN A 2 -6.661 19.033 14.301 1.00 1.48 H new ATOM 37 N ILE A 3 -3.726 17.555 9.064 1.00 0.67 N ATOM 38 CA ILE A 3 -4.230 16.374 8.380 1.00 0.59 C ATOM 39 C ILE A 3 -4.162 15.190 9.329 1.00 0.56 C ATOM 40 O ILE A 3 -3.431 15.229 10.321 1.00 0.59 O ATOM 41 CB ILE A 3 -3.437 16.030 7.098 1.00 0.52 C ATOM 42 CG1 ILE A 3 -1.930 16.024 7.375 1.00 0.51 C ATOM 43 CG2 ILE A 3 -3.778 16.999 5.975 1.00 0.54 C ATOM 44 CD1 ILE A 3 -1.127 15.276 6.333 1.00 0.44 C ATOM 0 H ILE A 3 -2.940 17.369 9.686 1.00 0.67 H new ATOM 0 HA ILE A 3 -5.255 16.590 8.079 1.00 0.59 H new ATOM 0 HB ILE A 3 -3.726 15.028 6.779 1.00 0.52 H new ATOM 0 HG12 ILE A 3 -1.574 17.053 7.427 1.00 0.51 H new ATOM 0 HG13 ILE A 3 -1.750 15.575 8.352 1.00 0.51 H new ATOM 0 HG21 ILE A 3 -3.208 16.738 5.083 1.00 0.54 H new ATOM 0 HG22 ILE A 3 -4.844 16.940 5.755 1.00 0.54 H new ATOM 0 HG23 ILE A 3 -3.526 18.014 6.282 1.00 0.54 H new ATOM 0 HD11 ILE A 3 -0.069 15.313 6.593 1.00 0.44 H new ATOM 0 HD12 ILE A 3 -1.456 14.237 6.297 1.00 0.44 H new ATOM 0 HD13 ILE A 3 -1.277 15.738 5.357 1.00 0.44 H new ATOM 56 N PHE A 4 -4.906 14.143 9.027 1.00 0.54 N ATOM 57 CA PHE A 4 -4.923 12.964 9.872 1.00 0.55 C ATOM 58 C PHE A 4 -4.345 11.773 9.130 1.00 0.53 C ATOM 59 O PHE A 4 -4.999 11.202 8.256 1.00 0.56 O ATOM 60 CB PHE A 4 -6.350 12.643 10.324 1.00 0.59 C ATOM 61 CG PHE A 4 -6.849 13.515 11.445 1.00 0.73 C ATOM 62 CD1 PHE A 4 -7.215 14.829 11.209 1.00 0.96 C ATOM 63 CD2 PHE A 4 -6.950 13.014 12.734 1.00 0.79 C ATOM 64 CE1 PHE A 4 -7.672 15.628 12.238 1.00 1.11 C ATOM 65 CE2 PHE A 4 -7.407 13.810 13.766 1.00 0.98 C ATOM 66 CZ PHE A 4 -7.768 15.120 13.516 1.00 1.08 C ATOM 0 H PHE A 4 -5.506 14.085 8.204 1.00 0.54 H new ATOM 0 HA PHE A 4 -4.312 13.170 10.751 1.00 0.55 H new ATOM 0 HB2 PHE A 4 -7.022 12.745 9.472 1.00 0.59 H new ATOM 0 HB3 PHE A 4 -6.394 11.601 10.641 1.00 0.59 H new ATOM 0 HD1 PHE A 4 -7.142 15.233 10.210 1.00 0.96 H new ATOM 0 HD2 PHE A 4 -6.668 11.991 12.933 1.00 0.79 H new ATOM 0 HE1 PHE A 4 -7.954 16.652 12.042 1.00 1.11 H new ATOM 0 HE2 PHE A 4 -7.482 13.409 14.766 1.00 0.98 H new ATOM 0 HZ PHE A 4 -8.125 15.745 14.321 1.00 1.08 H new ATOM 76 N VAL A 5 -3.121 11.402 9.466 1.00 0.53 N ATOM 77 CA VAL A 5 -2.476 10.266 8.833 1.00 0.54 C ATOM 78 C VAL A 5 -2.609 9.059 9.746 1.00 0.57 C ATOM 79 O VAL A 5 -1.889 8.936 10.740 1.00 0.62 O ATOM 80 CB VAL A 5 -0.983 10.532 8.542 1.00 0.54 C ATOM 81 CG1 VAL A 5 -0.395 9.418 7.687 1.00 0.60 C ATOM 82 CG2 VAL A 5 -0.794 11.881 7.865 1.00 0.49 C ATOM 0 H VAL A 5 -2.555 11.871 10.173 1.00 0.53 H new ATOM 0 HA VAL A 5 -2.966 10.085 7.876 1.00 0.54 H new ATOM 0 HB VAL A 5 -0.452 10.552 9.494 1.00 0.54 H new ATOM 0 HG11 VAL A 5 0.658 9.625 7.494 1.00 0.60 H new ATOM 0 HG12 VAL A 5 -0.487 8.468 8.213 1.00 0.60 H new ATOM 0 HG13 VAL A 5 -0.934 9.362 6.741 1.00 0.60 H new ATOM 0 HG21 VAL A 5 0.266 12.045 7.670 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -1.342 11.895 6.923 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -1.170 12.671 8.516 1.00 0.49 H new ATOM 92 N LYS A 6 -3.561 8.198 9.438 1.00 0.58 N ATOM 93 CA LYS A 6 -3.804 7.012 10.239 1.00 0.61 C ATOM 94 C LYS A 6 -3.240 5.782 9.548 1.00 0.57 C ATOM 95 O LYS A 6 -3.581 5.492 8.400 1.00 0.56 O ATOM 96 CB LYS A 6 -5.308 6.830 10.481 1.00 0.68 C ATOM 97 CG LYS A 6 -6.055 8.139 10.703 1.00 0.70 C ATOM 98 CD LYS A 6 -7.407 7.912 11.361 1.00 0.83 C ATOM 99 CE LYS A 6 -8.102 9.233 11.659 1.00 1.43 C ATOM 100 NZ LYS A 6 -9.296 9.056 12.529 1.00 1.82 N ATOM 0 H LYS A 6 -4.182 8.298 8.635 1.00 0.58 H new ATOM 0 HA LYS A 6 -3.304 7.138 11.199 1.00 0.61 H new ATOM 0 HB2 LYS A 6 -5.745 6.313 9.626 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -5.452 6.188 11.350 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -5.453 8.800 11.327 1.00 0.70 H new ATOM 0 HG3 LYS A 6 -6.196 8.644 9.747 1.00 0.70 H new ATOM 0 HD2 LYS A 6 -8.035 7.307 10.708 1.00 0.83 H new ATOM 0 HD3 LYS A 6 -7.275 7.351 12.286 1.00 0.83 H new ATOM 0 HE2 LYS A 6 -7.399 9.910 12.143 1.00 1.43 H new ATOM 0 HE3 LYS A 6 -8.403 9.703 10.723 1.00 1.43 H new ATOM 0 HZ1 LYS A 6 -9.737 9.981 12.705 1.00 1.82 H new ATOM 0 HZ2 LYS A 6 -9.980 8.431 12.057 1.00 1.82 H new ATOM 0 HZ3 LYS A 6 -9.007 8.632 13.434 1.00 1.82 H new ATOM 114 N THR A 7 -2.366 5.074 10.234 1.00 0.59 N ATOM 115 CA THR A 7 -1.778 3.874 9.680 1.00 0.58 C ATOM 116 C THR A 7 -2.691 2.678 9.946 1.00 0.61 C ATOM 117 O THR A 7 -3.524 2.711 10.854 1.00 0.67 O ATOM 118 CB THR A 7 -0.359 3.611 10.245 1.00 0.60 C ATOM 119 OG1 THR A 7 0.303 2.597 9.481 1.00 1.25 O ATOM 120 CG2 THR A 7 -0.407 3.179 11.697 1.00 0.94 C ATOM 0 H THR A 7 -2.048 5.309 11.174 1.00 0.59 H new ATOM 0 HA THR A 7 -1.675 4.017 8.604 1.00 0.58 H new ATOM 0 HB THR A 7 0.193 4.548 10.177 1.00 0.60 H new ATOM 0 HG1 THR A 7 -0.127 2.515 8.604 1.00 1.25 H new ATOM 0 HG21 THR A 7 0.606 3.004 12.058 1.00 0.94 H new ATOM 0 HG22 THR A 7 -0.875 3.962 12.294 1.00 0.94 H new ATOM 0 HG23 THR A 7 -0.987 2.260 11.784 1.00 0.94 H new ATOM 128 N LEU A 8 -2.534 1.628 9.150 1.00 0.63 N ATOM 129 CA LEU A 8 -3.344 0.420 9.291 1.00 0.69 C ATOM 130 C LEU A 8 -3.048 -0.287 10.613 1.00 0.72 C ATOM 131 O LEU A 8 -3.799 -1.159 11.048 1.00 0.82 O ATOM 132 CB LEU A 8 -3.089 -0.530 8.115 1.00 0.78 C ATOM 133 CG LEU A 8 -4.068 -0.415 6.939 1.00 0.95 C ATOM 134 CD1 LEU A 8 -5.436 -0.951 7.328 1.00 1.58 C ATOM 135 CD2 LEU A 8 -4.180 1.025 6.460 1.00 1.89 C ATOM 0 H LEU A 8 -1.849 1.587 8.395 1.00 0.63 H new ATOM 0 HA LEU A 8 -4.394 0.713 9.289 1.00 0.69 H new ATOM 0 HB2 LEU A 8 -2.080 -0.353 7.742 1.00 0.78 H new ATOM 0 HB3 LEU A 8 -3.116 -1.554 8.487 1.00 0.78 H new ATOM 0 HG LEU A 8 -3.678 -1.017 6.118 1.00 0.95 H new ATOM 0 HD11 LEU A 8 -6.116 -0.861 6.481 1.00 1.58 H new ATOM 0 HD12 LEU A 8 -5.348 -1.999 7.613 1.00 1.58 H new ATOM 0 HD13 LEU A 8 -5.826 -0.378 8.169 1.00 1.58 H new ATOM 0 HD21 LEU A 8 -4.880 1.078 5.626 1.00 1.89 H new ATOM 0 HD22 LEU A 8 -4.539 1.653 7.275 1.00 1.89 H new ATOM 0 HD23 LEU A 8 -3.201 1.377 6.135 1.00 1.89 H new ATOM 147 N THR A 9 -1.945 0.095 11.242 1.00 0.67 N ATOM 148 CA THR A 9 -1.550 -0.484 12.512 1.00 0.72 C ATOM 149 C THR A 9 -2.277 0.201 13.674 1.00 0.79 C ATOM 150 O THR A 9 -2.276 -0.298 14.797 1.00 0.93 O ATOM 151 CB THR A 9 -0.028 -0.370 12.701 1.00 0.67 C ATOM 152 OG1 THR A 9 0.605 -0.347 11.413 1.00 1.02 O ATOM 153 CG2 THR A 9 0.515 -1.537 13.514 1.00 0.80 C ATOM 0 H THR A 9 -1.307 0.808 10.888 1.00 0.67 H new ATOM 0 HA THR A 9 -1.828 -1.538 12.505 1.00 0.72 H new ATOM 0 HB THR A 9 0.186 0.551 13.244 1.00 0.67 H new ATOM 0 HG1 THR A 9 1.576 -0.273 11.527 1.00 1.02 H new ATOM 0 HG21 THR A 9 1.593 -1.429 13.631 1.00 0.80 H new ATOM 0 HG22 THR A 9 0.043 -1.547 14.496 1.00 0.80 H new ATOM 0 HG23 THR A 9 0.298 -2.472 12.998 1.00 0.80 H new ATOM 161 N GLY A 10 -2.903 1.344 13.396 1.00 0.77 N ATOM 162 CA GLY A 10 -3.630 2.060 14.429 1.00 0.89 C ATOM 163 C GLY A 10 -3.066 3.439 14.715 1.00 0.91 C ATOM 164 O GLY A 10 -3.818 4.384 14.958 1.00 1.31 O ATOM 0 H GLY A 10 -2.919 1.785 12.476 1.00 0.77 H new ATOM 0 HA2 GLY A 10 -4.673 2.157 14.128 1.00 0.89 H new ATOM 0 HA3 GLY A 10 -3.616 1.472 15.347 1.00 0.89 H new ATOM 168 N LYS A 11 -1.741 3.549 14.686 1.00 0.91 N ATOM 169 CA LYS A 11 -1.053 4.811 14.952 1.00 0.92 C ATOM 170 C LYS A 11 -1.602 5.949 14.091 1.00 0.82 C ATOM 171 O LYS A 11 -1.659 5.852 12.865 1.00 0.78 O ATOM 172 CB LYS A 11 0.454 4.646 14.715 1.00 0.92 C ATOM 173 CG LYS A 11 1.210 5.955 14.516 1.00 1.03 C ATOM 174 CD LYS A 11 1.424 6.702 15.826 1.00 1.32 C ATOM 175 CE LYS A 11 2.329 5.926 16.769 1.00 1.41 C ATOM 176 NZ LYS A 11 3.197 6.823 17.568 1.00 1.51 N ATOM 0 H LYS A 11 -1.115 2.771 14.479 1.00 0.91 H new ATOM 0 HA LYS A 11 -1.230 5.074 15.995 1.00 0.92 H new ATOM 0 HB2 LYS A 11 0.887 4.117 15.564 1.00 0.92 H new ATOM 0 HB3 LYS A 11 0.604 4.017 13.837 1.00 0.92 H new ATOM 0 HG2 LYS A 11 2.176 5.748 14.056 1.00 1.03 H new ATOM 0 HG3 LYS A 11 0.657 6.590 13.824 1.00 1.03 H new ATOM 0 HD2 LYS A 11 1.862 7.679 15.621 1.00 1.32 H new ATOM 0 HD3 LYS A 11 0.462 6.878 16.307 1.00 1.32 H new ATOM 0 HE2 LYS A 11 1.720 5.319 17.439 1.00 1.41 H new ATOM 0 HE3 LYS A 11 2.949 5.239 16.193 1.00 1.41 H new ATOM 0 HZ1 LYS A 11 4.000 6.282 17.947 1.00 1.51 H new ATOM 0 HZ2 LYS A 11 3.551 7.592 16.964 1.00 1.51 H new ATOM 0 HZ3 LYS A 11 2.649 7.226 18.355 1.00 1.51 H new ATOM 190 N THR A 12 -2.014 7.015 14.757 1.00 0.80 N ATOM 191 CA THR A 12 -2.548 8.187 14.092 1.00 0.74 C ATOM 192 C THR A 12 -1.730 9.413 14.483 1.00 0.75 C ATOM 193 O THR A 12 -1.384 9.583 15.653 1.00 0.79 O ATOM 194 CB THR A 12 -4.029 8.410 14.471 1.00 0.70 C ATOM 195 OG1 THR A 12 -4.788 7.224 14.196 1.00 0.74 O ATOM 196 CG2 THR A 12 -4.621 9.589 13.711 1.00 0.70 C ATOM 0 H THR A 12 -1.987 7.090 15.774 1.00 0.80 H new ATOM 0 HA THR A 12 -2.488 8.030 13.015 1.00 0.74 H new ATOM 0 HB THR A 12 -4.075 8.634 15.537 1.00 0.70 H new ATOM 0 HG1 THR A 12 -5.726 7.372 14.440 1.00 0.74 H new ATOM 0 HG21 THR A 12 -5.664 9.721 13.999 1.00 0.70 H new ATOM 0 HG22 THR A 12 -4.062 10.494 13.950 1.00 0.70 H new ATOM 0 HG23 THR A 12 -4.562 9.398 12.640 1.00 0.70 H new ATOM 204 N ILE A 13 -1.409 10.250 13.510 1.00 0.77 N ATOM 205 CA ILE A 13 -0.628 11.450 13.772 1.00 0.85 C ATOM 206 C ILE A 13 -1.217 12.648 13.039 1.00 0.75 C ATOM 207 O ILE A 13 -1.870 12.497 12.003 1.00 0.68 O ATOM 208 CB ILE A 13 0.853 11.279 13.369 1.00 1.03 C ATOM 209 CG1 ILE A 13 0.972 10.438 12.093 1.00 1.10 C ATOM 210 CG2 ILE A 13 1.646 10.652 14.511 1.00 1.31 C ATOM 211 CD1 ILE A 13 2.394 10.256 11.608 1.00 1.24 C ATOM 0 H ILE A 13 -1.676 10.122 12.534 1.00 0.77 H new ATOM 0 HA ILE A 13 -0.670 11.623 14.847 1.00 0.85 H new ATOM 0 HB ILE A 13 1.272 12.264 13.163 1.00 1.03 H new ATOM 0 HG12 ILE A 13 0.532 9.457 12.274 1.00 1.10 H new ATOM 0 HG13 ILE A 13 0.387 10.909 11.303 1.00 1.10 H new ATOM 0 HG21 ILE A 13 2.688 10.538 14.211 1.00 1.31 H new ATOM 0 HG22 ILE A 13 1.589 11.295 15.389 1.00 1.31 H new ATOM 0 HG23 ILE A 13 1.228 9.674 14.750 1.00 1.31 H new ATOM 0 HD11 ILE A 13 2.395 9.650 10.702 1.00 1.24 H new ATOM 0 HD12 ILE A 13 2.833 11.230 11.393 1.00 1.24 H new ATOM 0 HD13 ILE A 13 2.980 9.756 12.379 1.00 1.24 H new ATOM 223 N THR A 14 -0.985 13.829 13.587 1.00 0.80 N ATOM 224 CA THR A 14 -1.487 15.059 13.002 1.00 0.79 C ATOM 225 C THR A 14 -0.325 15.948 12.579 1.00 0.78 C ATOM 226 O THR A 14 0.484 16.373 13.409 1.00 0.84 O ATOM 227 CB THR A 14 -2.392 15.815 13.994 1.00 0.91 C ATOM 228 OG1 THR A 14 -2.051 15.456 15.340 1.00 1.31 O ATOM 229 CG2 THR A 14 -3.855 15.492 13.737 1.00 1.07 C ATOM 0 H THR A 14 -0.447 13.961 14.444 1.00 0.80 H new ATOM 0 HA THR A 14 -2.081 14.800 12.126 1.00 0.79 H new ATOM 0 HB THR A 14 -2.238 16.885 13.853 1.00 0.91 H new ATOM 0 HG1 THR A 14 -2.629 15.942 15.965 1.00 1.31 H new ATOM 0 HG21 THR A 14 -4.478 16.035 14.448 1.00 1.07 H new ATOM 0 HG22 THR A 14 -4.120 15.788 12.722 1.00 1.07 H new ATOM 0 HG23 THR A 14 -4.018 14.421 13.857 1.00 1.07 H new ATOM 237 N LEU A 15 -0.224 16.205 11.288 1.00 0.73 N ATOM 238 CA LEU A 15 0.853 17.026 10.760 1.00 0.75 C ATOM 239 C LEU A 15 0.317 18.308 10.138 1.00 0.77 C ATOM 240 O LEU A 15 -0.846 18.373 9.737 1.00 0.77 O ATOM 241 CB LEU A 15 1.643 16.239 9.715 1.00 0.73 C ATOM 242 CG LEU A 15 2.326 14.971 10.233 1.00 0.73 C ATOM 243 CD1 LEU A 15 2.793 14.109 9.071 1.00 0.78 C ATOM 244 CD2 LEU A 15 3.497 15.325 11.136 1.00 0.91 C ATOM 0 H LEU A 15 -0.875 15.857 10.584 1.00 0.73 H new ATOM 0 HA LEU A 15 1.508 17.296 11.589 1.00 0.75 H new ATOM 0 HB2 LEU A 15 0.968 15.964 8.904 1.00 0.73 H new ATOM 0 HB3 LEU A 15 2.403 16.894 9.289 1.00 0.73 H new ATOM 0 HG LEU A 15 1.602 14.404 10.817 1.00 0.73 H new ATOM 0 HD11 LEU A 15 3.277 13.211 9.455 1.00 0.78 H new ATOM 0 HD12 LEU A 15 1.936 13.826 8.460 1.00 0.78 H new ATOM 0 HD13 LEU A 15 3.502 14.671 8.463 1.00 0.78 H new ATOM 0 HD21 LEU A 15 3.970 14.410 11.494 1.00 0.91 H new ATOM 0 HD22 LEU A 15 4.224 15.914 10.576 1.00 0.91 H new ATOM 0 HD23 LEU A 15 3.138 15.905 11.986 1.00 0.91 H new ATOM 256 N GLU A 16 1.173 19.318 10.061 1.00 0.80 N ATOM 257 CA GLU A 16 0.815 20.603 9.478 1.00 0.83 C ATOM 258 C GLU A 16 1.458 20.734 8.103 1.00 0.78 C ATOM 259 O GLU A 16 2.479 21.402 7.938 1.00 0.84 O ATOM 260 CB GLU A 16 1.266 21.746 10.387 1.00 0.95 C ATOM 261 CG GLU A 16 0.120 22.587 10.933 1.00 1.01 C ATOM 262 CD GLU A 16 -0.462 23.532 9.902 1.00 1.06 C ATOM 263 OE1 GLU A 16 0.170 23.745 8.846 1.00 1.08 O ATOM 264 OE2 GLU A 16 -1.563 24.074 10.139 1.00 1.17 O ATOM 0 H GLU A 16 2.134 19.269 10.401 1.00 0.80 H new ATOM 0 HA GLU A 16 -0.269 20.658 9.374 1.00 0.83 H new ATOM 0 HB2 GLU A 16 1.830 21.332 11.223 1.00 0.95 H new ATOM 0 HB3 GLU A 16 1.946 22.392 9.832 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -0.667 21.927 11.298 1.00 1.01 H new ATOM 0 HG3 GLU A 16 0.474 23.163 11.788 1.00 1.01 H new ATOM 271 N VAL A 17 0.860 20.072 7.127 1.00 0.70 N ATOM 272 CA VAL A 17 1.371 20.080 5.761 1.00 0.68 C ATOM 273 C VAL A 17 0.801 21.241 4.956 1.00 0.72 C ATOM 274 O VAL A 17 -0.152 21.901 5.376 1.00 0.76 O ATOM 275 CB VAL A 17 1.044 18.759 5.040 1.00 0.60 C ATOM 276 CG1 VAL A 17 1.714 17.587 5.740 1.00 0.57 C ATOM 277 CG2 VAL A 17 -0.461 18.553 4.969 1.00 0.58 C ATOM 0 H VAL A 17 0.013 19.517 7.254 1.00 0.70 H new ATOM 0 HA VAL A 17 2.453 20.197 5.830 1.00 0.68 H new ATOM 0 HB VAL A 17 1.432 18.815 4.023 1.00 0.60 H new ATOM 0 HG11 VAL A 17 1.471 16.663 5.216 1.00 0.57 H new ATOM 0 HG12 VAL A 17 2.794 17.732 5.739 1.00 0.57 H new ATOM 0 HG13 VAL A 17 1.358 17.525 6.768 1.00 0.57 H new ATOM 0 HG21 VAL A 17 -0.676 17.615 4.457 1.00 0.58 H new ATOM 0 HG22 VAL A 17 -0.871 18.518 5.978 1.00 0.58 H new ATOM 0 HG23 VAL A 17 -0.916 19.378 4.421 1.00 0.58 H new ATOM 287 N GLU A 18 1.382 21.476 3.793 1.00 0.73 N ATOM 288 CA GLU A 18 0.939 22.553 2.923 1.00 0.78 C ATOM 289 C GLU A 18 0.159 21.989 1.736 1.00 0.76 C ATOM 290 O GLU A 18 0.315 20.821 1.392 1.00 0.72 O ATOM 291 CB GLU A 18 2.143 23.361 2.439 1.00 0.86 C ATOM 292 CG GLU A 18 2.924 24.001 3.573 1.00 0.94 C ATOM 293 CD GLU A 18 4.152 24.739 3.091 1.00 1.06 C ATOM 294 OE1 GLU A 18 5.183 24.083 2.837 1.00 1.25 O ATOM 295 OE2 GLU A 18 4.094 25.978 2.968 1.00 1.18 O ATOM 0 H GLU A 18 2.165 20.934 3.427 1.00 0.73 H new ATOM 0 HA GLU A 18 0.278 23.213 3.485 1.00 0.78 H new ATOM 0 HB2 GLU A 18 2.807 22.709 1.871 1.00 0.86 H new ATOM 0 HB3 GLU A 18 1.801 24.139 1.757 1.00 0.86 H new ATOM 0 HG2 GLU A 18 2.276 24.694 4.110 1.00 0.94 H new ATOM 0 HG3 GLU A 18 3.224 23.230 4.283 1.00 0.94 H new ATOM 302 N PRO A 19 -0.719 22.793 1.117 1.00 0.80 N ATOM 303 CA PRO A 19 -1.510 22.351 -0.041 1.00 0.82 C ATOM 304 C PRO A 19 -0.639 21.854 -1.196 1.00 0.86 C ATOM 305 O PRO A 19 -0.941 20.840 -1.825 1.00 0.87 O ATOM 306 CB PRO A 19 -2.273 23.611 -0.455 1.00 0.87 C ATOM 307 CG PRO A 19 -2.325 24.450 0.773 1.00 0.91 C ATOM 308 CD PRO A 19 -1.045 24.177 1.511 1.00 0.88 C ATOM 0 HA PRO A 19 -2.153 21.507 0.210 1.00 0.82 H new ATOM 0 HB2 PRO A 19 -1.765 24.131 -1.267 1.00 0.87 H new ATOM 0 HB3 PRO A 19 -3.275 23.367 -0.809 1.00 0.87 H new ATOM 0 HG2 PRO A 19 -2.413 25.507 0.521 1.00 0.91 H new ATOM 0 HG3 PRO A 19 -3.191 24.195 1.384 1.00 0.91 H new ATOM 0 HD2 PRO A 19 -0.258 24.874 1.224 1.00 0.88 H new ATOM 0 HD3 PRO A 19 -1.174 24.269 2.589 1.00 0.88 H new ATOM 316 N SER A 20 0.453 22.559 -1.455 1.00 0.92 N ATOM 317 CA SER A 20 1.359 22.192 -2.535 1.00 1.00 C ATOM 318 C SER A 20 2.488 21.291 -2.030 1.00 0.92 C ATOM 319 O SER A 20 3.534 21.171 -2.671 1.00 0.94 O ATOM 320 CB SER A 20 1.941 23.452 -3.174 1.00 1.18 C ATOM 321 OG SER A 20 0.933 24.434 -3.373 1.00 1.24 O ATOM 0 H SER A 20 0.734 23.389 -0.932 1.00 0.92 H new ATOM 0 HA SER A 20 0.792 21.635 -3.281 1.00 1.00 H new ATOM 0 HB2 SER A 20 2.728 23.857 -2.537 1.00 1.18 H new ATOM 0 HB3 SER A 20 2.402 23.200 -4.129 1.00 1.18 H new ATOM 0 HG SER A 20 1.330 25.232 -3.781 1.00 1.24 H new ATOM 327 N ASP A 21 2.267 20.656 -0.888 1.00 0.85 N ATOM 328 CA ASP A 21 3.263 19.767 -0.302 1.00 0.80 C ATOM 329 C ASP A 21 3.294 18.439 -1.041 1.00 0.75 C ATOM 330 O ASP A 21 2.253 17.819 -1.274 1.00 0.73 O ATOM 331 CB ASP A 21 2.962 19.520 1.178 1.00 0.75 C ATOM 332 CG ASP A 21 4.180 19.661 2.069 1.00 0.65 C ATOM 333 OD1 ASP A 21 5.302 19.810 1.545 1.00 0.82 O ATOM 334 OD2 ASP A 21 4.018 19.637 3.308 1.00 0.69 O ATOM 0 H ASP A 21 1.406 20.739 -0.347 1.00 0.85 H new ATOM 0 HA ASP A 21 4.237 20.249 -0.392 1.00 0.80 H new ATOM 0 HB2 ASP A 21 2.196 20.222 1.508 1.00 0.75 H new ATOM 0 HB3 ASP A 21 2.549 18.518 1.295 1.00 0.75 H new ATOM 339 N THR A 22 4.479 18.030 -1.449 1.00 0.76 N ATOM 340 CA THR A 22 4.648 16.770 -2.141 1.00 0.74 C ATOM 341 C THR A 22 4.469 15.600 -1.182 1.00 0.67 C ATOM 342 O THR A 22 4.802 15.701 0.002 1.00 0.65 O ATOM 343 CB THR A 22 6.032 16.674 -2.802 1.00 0.80 C ATOM 344 OG1 THR A 22 6.986 17.447 -2.057 1.00 0.85 O ATOM 345 CG2 THR A 22 5.984 17.163 -4.239 1.00 1.02 C ATOM 0 H THR A 22 5.342 18.556 -1.312 1.00 0.76 H new ATOM 0 HA THR A 22 3.884 16.724 -2.917 1.00 0.74 H new ATOM 0 HB THR A 22 6.336 15.627 -2.805 1.00 0.80 H new ATOM 0 HG1 THR A 22 7.863 17.012 -2.098 1.00 0.85 H new ATOM 0 HG21 THR A 22 6.976 17.084 -4.683 1.00 1.02 H new ATOM 0 HG22 THR A 22 5.282 16.553 -4.808 1.00 1.02 H new ATOM 0 HG23 THR A 22 5.659 18.203 -4.259 1.00 1.02 H new ATOM 353 N ILE A 23 3.936 14.497 -1.695 1.00 0.65 N ATOM 354 CA ILE A 23 3.728 13.293 -0.898 1.00 0.59 C ATOM 355 C ILE A 23 5.061 12.833 -0.307 1.00 0.58 C ATOM 356 O ILE A 23 5.122 12.317 0.812 1.00 0.54 O ATOM 357 CB ILE A 23 3.101 12.164 -1.748 1.00 0.62 C ATOM 358 CG1 ILE A 23 1.734 12.599 -2.295 1.00 0.67 C ATOM 359 CG2 ILE A 23 2.968 10.877 -0.941 1.00 0.55 C ATOM 360 CD1 ILE A 23 0.734 12.990 -1.224 1.00 0.63 C ATOM 0 H ILE A 23 3.638 14.412 -2.667 1.00 0.65 H new ATOM 0 HA ILE A 23 3.035 13.527 -0.090 1.00 0.59 H new ATOM 0 HB ILE A 23 3.766 11.967 -2.589 1.00 0.62 H new ATOM 0 HG12 ILE A 23 1.877 13.443 -2.969 1.00 0.67 H new ATOM 0 HG13 ILE A 23 1.316 11.785 -2.887 1.00 0.67 H new ATOM 0 HG21 ILE A 23 2.524 10.101 -1.564 1.00 0.55 H new ATOM 0 HG22 ILE A 23 3.954 10.554 -0.606 1.00 0.55 H new ATOM 0 HG23 ILE A 23 2.331 11.055 -0.075 1.00 0.55 H new ATOM 0 HD11 ILE A 23 -0.205 13.284 -1.693 1.00 0.63 H new ATOM 0 HD12 ILE A 23 0.559 12.142 -0.562 1.00 0.63 H new ATOM 0 HD13 ILE A 23 1.128 13.826 -0.646 1.00 0.63 H new ATOM 372 N GLU A 24 6.124 13.054 -1.073 1.00 0.64 N ATOM 373 CA GLU A 24 7.472 12.711 -0.648 1.00 0.67 C ATOM 374 C GLU A 24 7.839 13.496 0.610 1.00 0.65 C ATOM 375 O GLU A 24 8.442 12.958 1.544 1.00 0.65 O ATOM 376 CB GLU A 24 8.461 13.014 -1.786 1.00 0.78 C ATOM 377 CG GLU A 24 9.793 13.589 -1.324 1.00 0.94 C ATOM 378 CD GLU A 24 10.034 14.998 -1.832 1.00 1.68 C ATOM 379 OE1 GLU A 24 9.108 15.838 -1.756 1.00 2.11 O ATOM 380 OE2 GLU A 24 11.156 15.273 -2.307 1.00 2.16 O ATOM 0 H GLU A 24 6.074 13.474 -2.001 1.00 0.64 H new ATOM 0 HA GLU A 24 7.521 11.648 -0.414 1.00 0.67 H new ATOM 0 HB2 GLU A 24 8.649 12.096 -2.342 1.00 0.78 H new ATOM 0 HB3 GLU A 24 7.996 13.716 -2.478 1.00 0.78 H new ATOM 0 HG2 GLU A 24 9.824 13.590 -0.234 1.00 0.94 H new ATOM 0 HG3 GLU A 24 10.601 12.942 -1.665 1.00 0.94 H new ATOM 387 N ASN A 25 7.449 14.766 0.634 1.00 0.66 N ATOM 388 CA ASN A 25 7.734 15.636 1.764 1.00 0.68 C ATOM 389 C ASN A 25 6.873 15.257 2.959 1.00 0.62 C ATOM 390 O ASN A 25 7.295 15.403 4.105 1.00 0.65 O ATOM 391 CB ASN A 25 7.504 17.104 1.400 1.00 0.72 C ATOM 392 CG ASN A 25 8.226 18.040 2.348 1.00 0.79 C ATOM 393 OD1 ASN A 25 9.302 17.722 2.852 1.00 0.86 O ATOM 394 ND2 ASN A 25 7.641 19.195 2.600 1.00 0.83 N ATOM 0 H ASN A 25 6.932 15.215 -0.122 1.00 0.66 H new ATOM 0 HA ASN A 25 8.784 15.507 2.028 1.00 0.68 H new ATOM 0 HB2 ASN A 25 7.847 17.284 0.381 1.00 0.72 H new ATOM 0 HB3 ASN A 25 6.436 17.320 1.420 1.00 0.72 H new ATOM 0 HD21 ASN A 25 8.081 19.862 3.233 1.00 0.83 H new ATOM 0 HD22 ASN A 25 6.748 19.421 2.161 1.00 0.83 H new ATOM 401 N VAL A 26 5.661 14.782 2.688 1.00 0.55 N ATOM 402 CA VAL A 26 4.757 14.352 3.749 1.00 0.51 C ATOM 403 C VAL A 26 5.396 13.198 4.511 1.00 0.50 C ATOM 404 O VAL A 26 5.360 13.146 5.741 1.00 0.51 O ATOM 405 CB VAL A 26 3.385 13.912 3.192 1.00 0.49 C ATOM 406 CG1 VAL A 26 2.477 13.413 4.308 1.00 0.48 C ATOM 407 CG2 VAL A 26 2.725 15.058 2.444 1.00 0.50 C ATOM 0 H VAL A 26 5.283 14.685 1.745 1.00 0.55 H new ATOM 0 HA VAL A 26 4.586 15.198 4.414 1.00 0.51 H new ATOM 0 HB VAL A 26 3.550 13.089 2.497 1.00 0.49 H new ATOM 0 HG11 VAL A 26 1.518 13.110 3.888 1.00 0.48 H new ATOM 0 HG12 VAL A 26 2.943 12.560 4.802 1.00 0.48 H new ATOM 0 HG13 VAL A 26 2.320 14.211 5.033 1.00 0.48 H new ATOM 0 HG21 VAL A 26 1.759 14.732 2.058 1.00 0.50 H new ATOM 0 HG22 VAL A 26 2.580 15.899 3.122 1.00 0.50 H new ATOM 0 HG23 VAL A 26 3.362 15.366 1.615 1.00 0.50 H new ATOM 417 N LYS A 27 6.003 12.287 3.757 1.00 0.50 N ATOM 418 CA LYS A 27 6.689 11.144 4.338 1.00 0.50 C ATOM 419 C LYS A 27 7.906 11.619 5.122 1.00 0.55 C ATOM 420 O LYS A 27 8.205 11.105 6.202 1.00 0.55 O ATOM 421 CB LYS A 27 7.131 10.171 3.246 1.00 0.52 C ATOM 422 CG LYS A 27 5.996 9.385 2.616 1.00 0.52 C ATOM 423 CD LYS A 27 6.529 8.335 1.659 1.00 0.69 C ATOM 424 CE LYS A 27 5.425 7.443 1.125 1.00 1.00 C ATOM 425 NZ LYS A 27 5.926 6.545 0.053 1.00 1.16 N ATOM 0 H LYS A 27 6.032 12.321 2.738 1.00 0.50 H new ATOM 0 HA LYS A 27 6.000 10.629 5.008 1.00 0.50 H new ATOM 0 HB2 LYS A 27 7.648 10.729 2.466 1.00 0.52 H new ATOM 0 HB3 LYS A 27 7.852 9.471 3.669 1.00 0.52 H new ATOM 0 HG2 LYS A 27 5.404 8.905 3.396 1.00 0.52 H new ATOM 0 HG3 LYS A 27 5.330 10.064 2.083 1.00 0.52 H new ATOM 0 HD2 LYS A 27 7.034 8.825 0.827 1.00 0.69 H new ATOM 0 HD3 LYS A 27 7.274 7.724 2.169 1.00 0.69 H new ATOM 0 HE2 LYS A 27 5.012 6.846 1.938 1.00 1.00 H new ATOM 0 HE3 LYS A 27 4.613 8.058 0.737 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 5.152 6.325 -0.606 1.00 1.16 H new ATOM 0 HZ2 LYS A 27 6.696 7.016 -0.463 1.00 1.16 H new ATOM 0 HZ3 LYS A 27 6.281 5.664 0.476 1.00 1.16 H new ATOM 439 N ALA A 28 8.599 12.608 4.560 1.00 0.62 N ATOM 440 CA ALA A 28 9.781 13.186 5.191 1.00 0.69 C ATOM 441 C ALA A 28 9.422 13.774 6.552 1.00 0.71 C ATOM 442 O ALA A 28 10.212 13.713 7.496 1.00 0.76 O ATOM 443 CB ALA A 28 10.399 14.248 4.294 1.00 0.76 C ATOM 0 H ALA A 28 8.358 13.027 3.662 1.00 0.62 H new ATOM 0 HA ALA A 28 10.516 12.395 5.340 1.00 0.69 H new ATOM 0 HB1 ALA A 28 11.279 14.668 4.781 1.00 0.76 H new ATOM 0 HB2 ALA A 28 10.689 13.798 3.344 1.00 0.76 H new ATOM 0 HB3 ALA A 28 9.672 15.040 4.113 1.00 0.76 H new ATOM 449 N LYS A 29 8.232 14.360 6.637 1.00 0.69 N ATOM 450 CA LYS A 29 7.747 14.928 7.886 1.00 0.73 C ATOM 451 C LYS A 29 7.629 13.836 8.940 1.00 0.72 C ATOM 452 O LYS A 29 8.129 13.981 10.055 1.00 0.81 O ATOM 453 CB LYS A 29 6.403 15.623 7.673 1.00 0.71 C ATOM 454 CG LYS A 29 6.521 16.950 6.943 1.00 0.75 C ATOM 455 CD LYS A 29 5.160 17.573 6.702 1.00 0.69 C ATOM 456 CE LYS A 29 5.262 19.073 6.488 1.00 0.68 C ATOM 457 NZ LYS A 29 5.857 19.413 5.168 1.00 0.89 N ATOM 0 H LYS A 29 7.586 14.453 5.853 1.00 0.69 H new ATOM 0 HA LYS A 29 8.460 15.675 8.235 1.00 0.73 H new ATOM 0 HB2 LYS A 29 5.746 14.962 7.107 1.00 0.71 H new ATOM 0 HB3 LYS A 29 5.931 15.790 8.641 1.00 0.71 H new ATOM 0 HG2 LYS A 29 7.138 17.634 7.526 1.00 0.75 H new ATOM 0 HG3 LYS A 29 7.027 16.799 5.990 1.00 0.75 H new ATOM 0 HD2 LYS A 29 4.697 17.111 5.830 1.00 0.69 H new ATOM 0 HD3 LYS A 29 4.510 17.370 7.553 1.00 0.69 H new ATOM 0 HE2 LYS A 29 4.269 19.517 6.562 1.00 0.68 H new ATOM 0 HE3 LYS A 29 5.868 19.511 7.281 1.00 0.68 H new ATOM 0 HZ1 LYS A 29 6.095 20.425 5.145 1.00 0.89 H new ATOM 0 HZ2 LYS A 29 6.720 18.851 5.021 1.00 0.89 H new ATOM 0 HZ3 LYS A 29 5.173 19.201 4.414 1.00 0.89 H new ATOM 471 N ILE A 30 6.960 12.742 8.586 1.00 0.64 N ATOM 472 CA ILE A 30 6.825 11.610 9.493 1.00 0.64 C ATOM 473 C ILE A 30 8.212 11.077 9.841 1.00 0.72 C ATOM 474 O ILE A 30 8.486 10.711 10.982 1.00 0.80 O ATOM 475 CB ILE A 30 5.973 10.482 8.866 1.00 0.54 C ATOM 476 CG1 ILE A 30 4.603 11.029 8.445 1.00 0.52 C ATOM 477 CG2 ILE A 30 5.809 9.323 9.843 1.00 0.58 C ATOM 478 CD1 ILE A 30 3.748 10.037 7.686 1.00 0.46 C ATOM 0 H ILE A 30 6.505 12.617 7.681 1.00 0.64 H new ATOM 0 HA ILE A 30 6.317 11.950 10.395 1.00 0.64 H new ATOM 0 HB ILE A 30 6.488 10.108 7.981 1.00 0.54 H new ATOM 0 HG12 ILE A 30 4.063 11.351 9.335 1.00 0.52 H new ATOM 0 HG13 ILE A 30 4.752 11.913 7.825 1.00 0.52 H new ATOM 0 HG21 ILE A 30 5.206 8.541 9.382 1.00 0.58 H new ATOM 0 HG22 ILE A 30 6.790 8.922 10.100 1.00 0.58 H new ATOM 0 HG23 ILE A 30 5.314 9.677 10.747 1.00 0.58 H new ATOM 0 HD11 ILE A 30 2.797 10.501 7.425 1.00 0.46 H new ATOM 0 HD12 ILE A 30 4.265 9.733 6.776 1.00 0.46 H new ATOM 0 HD13 ILE A 30 3.566 9.162 8.310 1.00 0.46 H new ATOM 490 N GLN A 31 9.068 11.026 8.829 1.00 0.71 N ATOM 491 CA GLN A 31 10.451 10.587 8.986 1.00 0.82 C ATOM 492 C GLN A 31 11.164 11.404 10.062 1.00 0.93 C ATOM 493 O GLN A 31 11.905 10.862 10.880 1.00 1.01 O ATOM 494 CB GLN A 31 11.184 10.721 7.651 1.00 0.84 C ATOM 495 CG GLN A 31 12.688 10.527 7.740 1.00 0.97 C ATOM 496 CD GLN A 31 13.399 10.930 6.463 1.00 1.04 C ATOM 497 OE1 GLN A 31 12.940 11.804 5.728 1.00 1.01 O ATOM 498 NE2 GLN A 31 14.523 10.294 6.188 1.00 1.18 N ATOM 0 H GLN A 31 8.824 11.288 7.874 1.00 0.71 H new ATOM 0 HA GLN A 31 10.453 9.543 9.299 1.00 0.82 H new ATOM 0 HB2 GLN A 31 10.776 9.991 6.951 1.00 0.84 H new ATOM 0 HB3 GLN A 31 10.981 11.708 7.236 1.00 0.84 H new ATOM 0 HG2 GLN A 31 13.079 11.114 8.571 1.00 0.97 H new ATOM 0 HG3 GLN A 31 12.904 9.481 7.959 1.00 0.97 H new ATOM 0 HE21 GLN A 31 14.871 9.575 6.823 1.00 1.18 H new ATOM 0 HE22 GLN A 31 15.044 10.521 5.341 1.00 1.18 H new ATOM 507 N ASP A 32 10.943 12.710 10.055 1.00 0.95 N ATOM 508 CA ASP A 32 11.559 13.597 11.034 1.00 1.08 C ATOM 509 C ASP A 32 10.893 13.461 12.399 1.00 1.10 C ATOM 510 O ASP A 32 11.552 13.543 13.434 1.00 1.19 O ATOM 511 CB ASP A 32 11.461 15.048 10.568 1.00 1.15 C ATOM 512 CG ASP A 32 12.767 15.799 10.724 1.00 1.10 C ATOM 513 OD1 ASP A 32 13.105 16.194 11.860 1.00 1.24 O ATOM 514 OD2 ASP A 32 13.462 16.005 9.704 1.00 1.51 O ATOM 0 H ASP A 32 10.340 13.181 9.381 1.00 0.95 H new ATOM 0 HA ASP A 32 12.607 13.311 11.127 1.00 1.08 H new ATOM 0 HB2 ASP A 32 11.156 15.070 9.522 1.00 1.15 H new ATOM 0 HB3 ASP A 32 10.683 15.557 11.137 1.00 1.15 H new ATOM 519 N LYS A 33 9.584 13.242 12.391 1.00 1.04 N ATOM 520 CA LYS A 33 8.819 13.116 13.626 1.00 1.08 C ATOM 521 C LYS A 33 8.934 11.716 14.236 1.00 1.05 C ATOM 522 O LYS A 33 9.704 11.501 15.171 1.00 1.11 O ATOM 523 CB LYS A 33 7.347 13.456 13.368 1.00 1.05 C ATOM 524 CG LYS A 33 6.486 13.466 14.624 1.00 1.11 C ATOM 525 CD LYS A 33 5.006 13.570 14.285 1.00 1.21 C ATOM 526 CE LYS A 33 4.134 13.477 15.528 1.00 1.50 C ATOM 527 NZ LYS A 33 4.227 14.697 16.369 1.00 1.79 N ATOM 0 H LYS A 33 9.028 13.148 11.541 1.00 1.04 H new ATOM 0 HA LYS A 33 9.239 13.821 14.344 1.00 1.08 H new ATOM 0 HB2 LYS A 33 7.289 14.435 12.892 1.00 1.05 H new ATOM 0 HB3 LYS A 33 6.936 12.733 12.663 1.00 1.05 H new ATOM 0 HG2 LYS A 33 6.666 12.556 15.197 1.00 1.11 H new ATOM 0 HG3 LYS A 33 6.775 14.304 15.258 1.00 1.11 H new ATOM 0 HD2 LYS A 33 4.815 14.515 13.777 1.00 1.21 H new ATOM 0 HD3 LYS A 33 4.735 12.775 13.591 1.00 1.21 H new ATOM 0 HE2 LYS A 33 3.097 13.320 15.232 1.00 1.50 H new ATOM 0 HE3 LYS A 33 4.433 12.609 16.115 1.00 1.50 H new ATOM 0 HZ1 LYS A 33 3.617 14.590 17.205 1.00 1.79 H new ATOM 0 HZ2 LYS A 33 5.212 14.834 16.674 1.00 1.79 H new ATOM 0 HZ3 LYS A 33 3.917 15.523 15.818 1.00 1.79 H new ATOM 541 N GLU A 34 8.177 10.768 13.689 1.00 0.98 N ATOM 542 CA GLU A 34 8.155 9.393 14.186 1.00 0.97 C ATOM 543 C GLU A 34 9.441 8.629 13.861 1.00 0.95 C ATOM 544 O GLU A 34 9.650 7.525 14.361 1.00 0.97 O ATOM 545 CB GLU A 34 6.950 8.655 13.597 1.00 0.89 C ATOM 546 CG GLU A 34 5.613 9.305 13.931 1.00 0.94 C ATOM 547 CD GLU A 34 5.214 9.115 15.380 1.00 1.18 C ATOM 548 OE1 GLU A 34 4.681 8.041 15.716 1.00 1.18 O ATOM 549 OE2 GLU A 34 5.432 10.039 16.190 1.00 1.56 O ATOM 0 H GLU A 34 7.563 10.930 12.891 1.00 0.98 H new ATOM 0 HA GLU A 34 8.076 9.440 15.272 1.00 0.97 H new ATOM 0 HB2 GLU A 34 7.059 8.605 12.514 1.00 0.89 H new ATOM 0 HB3 GLU A 34 6.948 7.629 13.965 1.00 0.89 H new ATOM 0 HG2 GLU A 34 5.667 10.371 13.711 1.00 0.94 H new ATOM 0 HG3 GLU A 34 4.839 8.886 13.288 1.00 0.94 H new ATOM 556 N GLY A 35 10.295 9.211 13.032 1.00 0.94 N ATOM 557 CA GLY A 35 11.542 8.555 12.675 1.00 0.94 C ATOM 558 C GLY A 35 11.361 7.420 11.686 1.00 0.88 C ATOM 559 O GLY A 35 12.211 6.537 11.586 1.00 0.92 O ATOM 0 H GLY A 35 10.150 10.123 12.600 1.00 0.94 H new ATOM 0 HA2 GLY A 35 12.224 9.292 12.251 1.00 0.94 H new ATOM 0 HA3 GLY A 35 12.013 8.168 13.579 1.00 0.94 H new ATOM 563 N ILE A 36 10.258 7.432 10.955 1.00 0.79 N ATOM 564 CA ILE A 36 9.989 6.388 9.975 1.00 0.73 C ATOM 565 C ILE A 36 10.389 6.847 8.576 1.00 0.69 C ATOM 566 O ILE A 36 9.781 7.762 8.026 1.00 0.63 O ATOM 567 CB ILE A 36 8.498 5.987 9.972 1.00 0.66 C ATOM 568 CG1 ILE A 36 8.052 5.590 11.382 1.00 0.77 C ATOM 569 CG2 ILE A 36 8.250 4.846 8.991 1.00 0.63 C ATOM 570 CD1 ILE A 36 6.555 5.402 11.516 1.00 0.76 C ATOM 0 H ILE A 36 9.536 8.150 11.020 1.00 0.79 H new ATOM 0 HA ILE A 36 10.584 5.519 10.257 1.00 0.73 H new ATOM 0 HB ILE A 36 7.910 6.847 9.651 1.00 0.66 H new ATOM 0 HG12 ILE A 36 8.552 4.664 11.665 1.00 0.77 H new ATOM 0 HG13 ILE A 36 8.378 6.356 12.086 1.00 0.77 H new ATOM 0 HG21 ILE A 36 7.193 4.578 9.004 1.00 0.63 H new ATOM 0 HG22 ILE A 36 8.532 5.162 7.987 1.00 0.63 H new ATOM 0 HG23 ILE A 36 8.847 3.981 9.280 1.00 0.63 H new ATOM 0 HD11 ILE A 36 6.314 5.122 12.541 1.00 0.76 H new ATOM 0 HD12 ILE A 36 6.047 6.333 11.265 1.00 0.76 H new ATOM 0 HD13 ILE A 36 6.225 4.615 10.838 1.00 0.76 H new ATOM 582 N PRO A 37 11.433 6.237 7.991 1.00 0.76 N ATOM 583 CA PRO A 37 11.906 6.585 6.643 1.00 0.77 C ATOM 584 C PRO A 37 10.812 6.445 5.583 1.00 0.66 C ATOM 585 O PRO A 37 10.008 5.513 5.634 1.00 0.58 O ATOM 586 CB PRO A 37 13.031 5.579 6.383 1.00 0.88 C ATOM 587 CG PRO A 37 13.483 5.160 7.738 1.00 0.97 C ATOM 588 CD PRO A 37 12.250 5.171 8.597 1.00 0.88 C ATOM 0 HA PRO A 37 12.225 7.626 6.586 1.00 0.77 H new ATOM 0 HB2 PRO A 37 12.675 4.727 5.803 1.00 0.88 H new ATOM 0 HB3 PRO A 37 13.845 6.032 5.817 1.00 0.88 H new ATOM 0 HG2 PRO A 37 13.933 4.168 7.711 1.00 0.97 H new ATOM 0 HG3 PRO A 37 14.238 5.843 8.128 1.00 0.97 H new ATOM 0 HD2 PRO A 37 11.737 4.210 8.579 1.00 0.88 H new ATOM 0 HD3 PRO A 37 12.486 5.387 9.639 1.00 0.88 H new ATOM 596 N PRO A 38 10.778 7.369 4.602 1.00 0.70 N ATOM 597 CA PRO A 38 9.777 7.361 3.522 1.00 0.66 C ATOM 598 C PRO A 38 9.748 6.043 2.756 1.00 0.65 C ATOM 599 O PRO A 38 8.691 5.594 2.308 1.00 0.62 O ATOM 600 CB PRO A 38 10.237 8.494 2.600 1.00 0.81 C ATOM 601 CG PRO A 38 11.041 9.395 3.469 1.00 0.91 C ATOM 602 CD PRO A 38 11.716 8.502 4.468 1.00 0.86 C ATOM 0 HA PRO A 38 8.767 7.486 3.912 1.00 0.66 H new ATOM 0 HB2 PRO A 38 10.832 8.111 1.771 1.00 0.81 H new ATOM 0 HB3 PRO A 38 9.386 9.020 2.166 1.00 0.81 H new ATOM 0 HG2 PRO A 38 11.773 9.952 2.884 1.00 0.91 H new ATOM 0 HG3 PRO A 38 10.406 10.128 3.966 1.00 0.91 H new ATOM 0 HD2 PRO A 38 12.695 8.174 4.117 1.00 0.86 H new ATOM 0 HD3 PRO A 38 11.872 9.009 5.420 1.00 0.86 H new ATOM 610 N ASP A 39 10.919 5.431 2.616 1.00 0.73 N ATOM 611 CA ASP A 39 11.056 4.160 1.909 1.00 0.79 C ATOM 612 C ASP A 39 10.198 3.072 2.549 1.00 0.74 C ATOM 613 O ASP A 39 9.663 2.202 1.861 1.00 0.81 O ATOM 614 CB ASP A 39 12.522 3.718 1.890 1.00 0.89 C ATOM 615 CG ASP A 39 12.706 2.354 1.260 1.00 1.84 C ATOM 616 OD1 ASP A 39 12.715 2.262 0.012 1.00 2.29 O ATOM 617 OD2 ASP A 39 12.846 1.365 2.009 1.00 2.66 O ATOM 0 H ASP A 39 11.796 5.798 2.986 1.00 0.73 H new ATOM 0 HA ASP A 39 10.710 4.311 0.886 1.00 0.79 H new ATOM 0 HB2 ASP A 39 13.113 4.451 1.341 1.00 0.89 H new ATOM 0 HB3 ASP A 39 12.906 3.699 2.910 1.00 0.89 H new ATOM 622 N GLN A 40 10.028 3.156 3.862 1.00 0.67 N ATOM 623 CA GLN A 40 9.244 2.171 4.597 1.00 0.70 C ATOM 624 C GLN A 40 7.795 2.627 4.750 1.00 0.60 C ATOM 625 O GLN A 40 7.002 1.987 5.443 1.00 0.67 O ATOM 626 CB GLN A 40 9.856 1.921 5.979 1.00 0.79 C ATOM 627 CG GLN A 40 11.079 1.013 5.957 1.00 0.95 C ATOM 628 CD GLN A 40 12.387 1.777 5.983 1.00 1.48 C ATOM 629 OE1 GLN A 40 12.912 2.090 7.048 1.00 2.10 O ATOM 630 NE2 GLN A 40 12.930 2.066 4.813 1.00 2.01 N ATOM 0 H GLN A 40 10.423 3.897 4.441 1.00 0.67 H new ATOM 0 HA GLN A 40 9.257 1.242 4.027 1.00 0.70 H new ATOM 0 HB2 GLN A 40 10.134 2.878 6.421 1.00 0.79 H new ATOM 0 HB3 GLN A 40 9.099 1.479 6.626 1.00 0.79 H new ATOM 0 HG2 GLN A 40 11.041 0.341 6.814 1.00 0.95 H new ATOM 0 HG3 GLN A 40 11.046 0.391 5.063 1.00 0.95 H new ATOM 0 HE21 GLN A 40 12.461 1.788 3.951 1.00 2.01 H new ATOM 0 HE22 GLN A 40 13.818 2.567 4.772 1.00 2.01 H new ATOM 639 N GLN A 41 7.453 3.723 4.092 1.00 0.51 N ATOM 640 CA GLN A 41 6.104 4.265 4.163 1.00 0.44 C ATOM 641 C GLN A 41 5.339 4.010 2.871 1.00 0.45 C ATOM 642 O GLN A 41 5.907 4.057 1.780 1.00 0.51 O ATOM 643 CB GLN A 41 6.144 5.769 4.414 1.00 0.40 C ATOM 644 CG GLN A 41 6.723 6.172 5.755 1.00 0.41 C ATOM 645 CD GLN A 41 6.557 7.654 6.012 1.00 0.40 C ATOM 646 OE1 GLN A 41 5.566 8.256 5.605 1.00 0.37 O ATOM 647 NE2 GLN A 41 7.526 8.257 6.674 1.00 0.46 N ATOM 0 H GLN A 41 8.091 4.256 3.502 1.00 0.51 H new ATOM 0 HA GLN A 41 5.597 3.763 4.987 1.00 0.44 H new ATOM 0 HB2 GLN A 41 6.730 6.240 3.624 1.00 0.40 H new ATOM 0 HB3 GLN A 41 5.131 6.163 4.338 1.00 0.40 H new ATOM 0 HG2 GLN A 41 6.232 5.608 6.548 1.00 0.41 H new ATOM 0 HG3 GLN A 41 7.781 5.913 5.787 1.00 0.41 H new ATOM 0 HE21 GLN A 41 8.333 7.723 6.996 1.00 0.46 H new ATOM 0 HE22 GLN A 41 7.468 9.257 6.864 1.00 0.46 H new ATOM 656 N ARG A 42 4.049 3.742 3.002 1.00 0.46 N ATOM 657 CA ARG A 42 3.190 3.509 1.852 1.00 0.52 C ATOM 658 C ARG A 42 1.848 4.193 2.062 1.00 0.50 C ATOM 659 O ARG A 42 0.972 3.673 2.757 1.00 0.53 O ATOM 660 CB ARG A 42 2.986 2.014 1.610 1.00 0.63 C ATOM 661 CG ARG A 42 4.180 1.321 0.973 1.00 0.69 C ATOM 662 CD ARG A 42 4.587 1.983 -0.335 1.00 0.75 C ATOM 663 NE ARG A 42 5.632 1.231 -1.020 1.00 0.87 N ATOM 664 CZ ARG A 42 6.930 1.301 -0.713 1.00 0.92 C ATOM 665 NH1 ARG A 42 7.353 2.101 0.264 1.00 0.94 N ATOM 666 NH2 ARG A 42 7.803 0.571 -1.389 1.00 1.11 N ATOM 0 H ARG A 42 3.571 3.680 3.901 1.00 0.46 H new ATOM 0 HA ARG A 42 3.676 3.930 0.972 1.00 0.52 H new ATOM 0 HB2 ARG A 42 2.763 1.530 2.561 1.00 0.63 H new ATOM 0 HB3 ARG A 42 2.115 1.876 0.970 1.00 0.63 H new ATOM 0 HG2 ARG A 42 5.022 1.337 1.666 1.00 0.69 H new ATOM 0 HG3 ARG A 42 3.938 0.274 0.790 1.00 0.69 H new ATOM 0 HD2 ARG A 42 3.716 2.070 -0.985 1.00 0.75 H new ATOM 0 HD3 ARG A 42 4.939 2.995 -0.136 1.00 0.75 H new ATOM 0 HE ARG A 42 5.354 0.612 -1.782 1.00 0.87 H new ATOM 0 HH11 ARG A 42 6.684 2.667 0.785 1.00 0.94 H new ATOM 0 HH12 ARG A 42 8.346 2.148 0.491 1.00 0.94 H new ATOM 0 HH21 ARG A 42 7.483 -0.041 -2.140 1.00 1.11 H new ATOM 0 HH22 ARG A 42 8.796 0.620 -1.159 1.00 1.11 H new ATOM 680 N LEU A 43 1.703 5.366 1.471 1.00 0.47 N ATOM 681 CA LEU A 43 0.476 6.137 1.593 1.00 0.46 C ATOM 682 C LEU A 43 -0.618 5.546 0.709 1.00 0.49 C ATOM 683 O LEU A 43 -0.333 4.958 -0.338 1.00 0.65 O ATOM 684 CB LEU A 43 0.736 7.600 1.228 1.00 0.47 C ATOM 685 CG LEU A 43 -0.066 8.630 2.029 1.00 0.64 C ATOM 686 CD1 LEU A 43 0.200 8.479 3.520 1.00 0.98 C ATOM 687 CD2 LEU A 43 0.276 10.039 1.573 1.00 1.14 C ATOM 0 H LEU A 43 2.423 5.808 0.899 1.00 0.47 H new ATOM 0 HA LEU A 43 0.136 6.093 2.628 1.00 0.46 H new ATOM 0 HB2 LEU A 43 1.798 7.807 1.363 1.00 0.47 H new ATOM 0 HB3 LEU A 43 0.516 7.737 0.169 1.00 0.47 H new ATOM 0 HG LEU A 43 -1.126 8.452 1.849 1.00 0.64 H new ATOM 0 HD11 LEU A 43 -0.380 9.220 4.070 1.00 0.98 H new ATOM 0 HD12 LEU A 43 -0.091 7.479 3.842 1.00 0.98 H new ATOM 0 HD13 LEU A 43 1.261 8.629 3.717 1.00 0.98 H new ATOM 0 HD21 LEU A 43 -0.302 10.759 2.152 1.00 1.14 H new ATOM 0 HD22 LEU A 43 1.340 10.222 1.724 1.00 1.14 H new ATOM 0 HD23 LEU A 43 0.036 10.147 0.515 1.00 1.14 H new ATOM 699 N ILE A 44 -1.858 5.682 1.153 1.00 0.55 N ATOM 700 CA ILE A 44 -3.010 5.164 0.425 1.00 0.63 C ATOM 701 C ILE A 44 -4.248 6.016 0.721 1.00 0.63 C ATOM 702 O ILE A 44 -4.471 6.430 1.861 1.00 0.92 O ATOM 703 CB ILE A 44 -3.270 3.674 0.788 1.00 0.95 C ATOM 704 CG1 ILE A 44 -4.651 3.209 0.313 1.00 1.33 C ATOM 705 CG2 ILE A 44 -3.125 3.452 2.284 1.00 1.57 C ATOM 706 CD1 ILE A 44 -4.963 1.776 0.686 1.00 1.75 C ATOM 0 H ILE A 44 -2.096 6.153 2.026 1.00 0.55 H new ATOM 0 HA ILE A 44 -2.796 5.217 -0.643 1.00 0.63 H new ATOM 0 HB ILE A 44 -2.520 3.077 0.270 1.00 0.95 H new ATOM 0 HG12 ILE A 44 -5.413 3.862 0.739 1.00 1.33 H new ATOM 0 HG13 ILE A 44 -4.710 3.316 -0.770 1.00 1.33 H new ATOM 0 HG21 ILE A 44 -3.311 2.403 2.516 1.00 1.57 H new ATOM 0 HG22 ILE A 44 -2.115 3.719 2.595 1.00 1.57 H new ATOM 0 HG23 ILE A 44 -3.845 4.074 2.816 1.00 1.57 H new ATOM 0 HD11 ILE A 44 -5.955 1.512 0.319 1.00 1.75 H new ATOM 0 HD12 ILE A 44 -4.222 1.114 0.237 1.00 1.75 H new ATOM 0 HD13 ILE A 44 -4.936 1.668 1.770 1.00 1.75 H new ATOM 718 N PHE A 45 -5.030 6.296 -0.313 1.00 0.58 N ATOM 719 CA PHE A 45 -6.235 7.100 -0.173 1.00 0.72 C ATOM 720 C PHE A 45 -7.425 6.387 -0.809 1.00 0.86 C ATOM 721 O PHE A 45 -7.444 6.153 -2.019 1.00 0.83 O ATOM 722 CB PHE A 45 -6.037 8.471 -0.829 1.00 0.77 C ATOM 723 CG PHE A 45 -7.176 9.431 -0.615 1.00 1.02 C ATOM 724 CD1 PHE A 45 -7.235 10.211 0.526 1.00 0.98 C ATOM 725 CD2 PHE A 45 -8.182 9.556 -1.560 1.00 1.68 C ATOM 726 CE1 PHE A 45 -8.278 11.097 0.724 1.00 1.21 C ATOM 727 CE2 PHE A 45 -9.227 10.439 -1.370 1.00 1.95 C ATOM 728 CZ PHE A 45 -9.276 11.211 -0.227 1.00 1.59 C ATOM 0 H PHE A 45 -4.849 5.975 -1.264 1.00 0.58 H new ATOM 0 HA PHE A 45 -6.435 7.241 0.889 1.00 0.72 H new ATOM 0 HB2 PHE A 45 -5.122 8.918 -0.440 1.00 0.77 H new ATOM 0 HB3 PHE A 45 -5.892 8.331 -1.900 1.00 0.77 H new ATOM 0 HD1 PHE A 45 -6.457 10.127 1.271 1.00 0.98 H new ATOM 0 HD2 PHE A 45 -8.148 8.955 -2.457 1.00 1.68 H new ATOM 0 HE1 PHE A 45 -8.313 11.699 1.620 1.00 1.21 H new ATOM 0 HE2 PHE A 45 -10.004 10.525 -2.115 1.00 1.95 H new ATOM 0 HZ PHE A 45 -10.092 11.902 -0.075 1.00 1.59 H new ATOM 738 N ALA A 46 -8.391 6.019 0.028 1.00 1.21 N ATOM 739 CA ALA A 46 -9.613 5.346 -0.412 1.00 1.45 C ATOM 740 C ALA A 46 -9.329 4.046 -1.169 1.00 1.26 C ATOM 741 O ALA A 46 -10.131 3.612 -2.000 1.00 1.24 O ATOM 742 CB ALA A 46 -10.459 6.286 -1.260 1.00 1.65 C ATOM 0 H ALA A 46 -8.350 6.179 1.035 1.00 1.21 H new ATOM 0 HA ALA A 46 -10.169 5.073 0.485 1.00 1.45 H new ATOM 0 HB1 ALA A 46 -11.365 5.771 -1.580 1.00 1.65 H new ATOM 0 HB2 ALA A 46 -10.729 7.163 -0.672 1.00 1.65 H new ATOM 0 HB3 ALA A 46 -9.890 6.597 -2.136 1.00 1.65 H new ATOM 748 N GLY A 47 -8.195 3.425 -0.884 1.00 1.29 N ATOM 749 CA GLY A 47 -7.858 2.182 -1.547 1.00 1.38 C ATOM 750 C GLY A 47 -6.845 2.353 -2.668 1.00 1.26 C ATOM 751 O GLY A 47 -6.354 1.365 -3.215 1.00 1.51 O ATOM 0 H GLY A 47 -7.505 3.756 -0.210 1.00 1.29 H new ATOM 0 HA2 GLY A 47 -7.461 1.482 -0.812 1.00 1.38 H new ATOM 0 HA3 GLY A 47 -8.767 1.737 -1.953 1.00 1.38 H new ATOM 755 N LYS A 48 -6.535 3.595 -3.021 1.00 1.08 N ATOM 756 CA LYS A 48 -5.571 3.869 -4.085 1.00 1.25 C ATOM 757 C LYS A 48 -4.223 4.256 -3.498 1.00 1.05 C ATOM 758 O LYS A 48 -4.152 4.952 -2.485 1.00 1.03 O ATOM 759 CB LYS A 48 -6.077 4.985 -5.005 1.00 1.51 C ATOM 760 CG LYS A 48 -7.320 4.609 -5.789 1.00 1.98 C ATOM 761 CD LYS A 48 -7.534 5.531 -6.977 1.00 2.33 C ATOM 762 CE LYS A 48 -8.797 5.171 -7.748 1.00 2.71 C ATOM 763 NZ LYS A 48 -10.031 5.433 -6.959 1.00 3.64 N ATOM 0 H LYS A 48 -6.935 4.428 -2.589 1.00 1.08 H new ATOM 0 HA LYS A 48 -5.453 2.959 -4.673 1.00 1.25 H new ATOM 0 HB2 LYS A 48 -6.290 5.870 -4.406 1.00 1.51 H new ATOM 0 HB3 LYS A 48 -5.285 5.256 -5.703 1.00 1.51 H new ATOM 0 HG2 LYS A 48 -7.233 3.580 -6.138 1.00 1.98 H new ATOM 0 HG3 LYS A 48 -8.190 4.651 -5.134 1.00 1.98 H new ATOM 0 HD2 LYS A 48 -7.601 6.562 -6.630 1.00 2.33 H new ATOM 0 HD3 LYS A 48 -6.672 5.474 -7.642 1.00 2.33 H new ATOM 0 HE2 LYS A 48 -8.831 5.745 -8.674 1.00 2.71 H new ATOM 0 HE3 LYS A 48 -8.763 4.118 -8.027 1.00 2.71 H new ATOM 0 HZ1 LYS A 48 -10.864 5.336 -7.575 1.00 3.64 H new ATOM 0 HZ2 LYS A 48 -10.096 4.749 -6.179 1.00 3.64 H new ATOM 0 HZ3 LYS A 48 -9.997 6.398 -6.572 1.00 3.64 H new ATOM 777 N GLN A 49 -3.155 3.807 -4.136 1.00 0.98 N ATOM 778 CA GLN A 49 -1.812 4.113 -3.675 1.00 0.86 C ATOM 779 C GLN A 49 -1.342 5.415 -4.302 1.00 0.85 C ATOM 780 O GLN A 49 -1.214 5.519 -5.525 1.00 0.98 O ATOM 781 CB GLN A 49 -0.842 2.975 -4.005 1.00 1.01 C ATOM 782 CG GLN A 49 0.601 3.287 -3.646 1.00 1.26 C ATOM 783 CD GLN A 49 1.490 2.058 -3.655 1.00 1.41 C ATOM 784 OE1 GLN A 49 2.394 1.935 -2.835 1.00 1.50 O ATOM 785 NE2 GLN A 49 1.229 1.135 -4.568 1.00 2.20 N ATOM 0 H GLN A 49 -3.192 3.229 -4.975 1.00 0.98 H new ATOM 0 HA GLN A 49 -1.833 4.224 -2.591 1.00 0.86 H new ATOM 0 HB2 GLN A 49 -1.154 2.076 -3.474 1.00 1.01 H new ATOM 0 HB3 GLN A 49 -0.903 2.753 -5.070 1.00 1.01 H new ATOM 0 HG2 GLN A 49 0.995 4.020 -4.350 1.00 1.26 H new ATOM 0 HG3 GLN A 49 0.633 3.746 -2.658 1.00 1.26 H new ATOM 0 HE21 GLN A 49 0.468 1.276 -5.232 1.00 2.20 H new ATOM 0 HE22 GLN A 49 1.789 0.283 -4.607 1.00 2.20 H new ATOM 794 N LEU A 50 -1.105 6.404 -3.455 1.00 0.77 N ATOM 795 CA LEU A 50 -0.664 7.716 -3.900 1.00 0.82 C ATOM 796 C LEU A 50 0.785 7.677 -4.368 1.00 0.89 C ATOM 797 O LEU A 50 1.604 6.924 -3.831 1.00 0.93 O ATOM 798 CB LEU A 50 -0.823 8.735 -2.766 1.00 0.75 C ATOM 799 CG LEU A 50 -2.194 8.744 -2.084 1.00 0.73 C ATOM 800 CD1 LEU A 50 -2.272 9.857 -1.054 1.00 1.01 C ATOM 801 CD2 LEU A 50 -3.303 8.891 -3.111 1.00 0.87 C ATOM 0 H LEU A 50 -1.212 6.321 -2.444 1.00 0.77 H new ATOM 0 HA LEU A 50 -1.286 8.017 -4.743 1.00 0.82 H new ATOM 0 HB2 LEU A 50 -0.061 8.537 -2.012 1.00 0.75 H new ATOM 0 HB3 LEU A 50 -0.626 9.731 -3.164 1.00 0.75 H new ATOM 0 HG LEU A 50 -2.325 7.791 -1.571 1.00 0.73 H new ATOM 0 HD11 LEU A 50 -3.254 9.847 -0.581 1.00 1.01 H new ATOM 0 HD12 LEU A 50 -1.502 9.707 -0.297 1.00 1.01 H new ATOM 0 HD13 LEU A 50 -2.116 10.818 -1.544 1.00 1.01 H new ATOM 0 HD21 LEU A 50 -4.269 8.895 -2.606 1.00 0.87 H new ATOM 0 HD22 LEU A 50 -3.174 9.827 -3.654 1.00 0.87 H new ATOM 0 HD23 LEU A 50 -3.263 8.057 -3.811 1.00 0.87 H new ATOM 813 N GLU A 51 1.097 8.497 -5.359 1.00 0.95 N ATOM 814 CA GLU A 51 2.440 8.562 -5.895 1.00 1.07 C ATOM 815 C GLU A 51 3.226 9.646 -5.165 1.00 0.91 C ATOM 816 O GLU A 51 2.769 10.783 -5.042 1.00 0.89 O ATOM 817 CB GLU A 51 2.402 8.821 -7.403 1.00 1.37 C ATOM 818 CG GLU A 51 3.771 8.791 -8.059 1.00 1.59 C ATOM 819 CD GLU A 51 3.710 8.426 -9.527 1.00 1.84 C ATOM 820 OE1 GLU A 51 3.551 9.339 -10.366 1.00 2.64 O ATOM 821 OE2 GLU A 51 3.833 7.227 -9.853 1.00 1.95 O ATOM 0 H GLU A 51 0.433 9.128 -5.808 1.00 0.95 H new ATOM 0 HA GLU A 51 2.940 7.606 -5.739 1.00 1.07 H new ATOM 0 HB2 GLU A 51 1.765 8.073 -7.876 1.00 1.37 H new ATOM 0 HB3 GLU A 51 1.942 9.792 -7.585 1.00 1.37 H new ATOM 0 HG2 GLU A 51 4.242 9.768 -7.951 1.00 1.59 H new ATOM 0 HG3 GLU A 51 4.404 8.073 -7.537 1.00 1.59 H new ATOM 828 N ASP A 52 4.401 9.272 -4.678 1.00 0.89 N ATOM 829 CA ASP A 52 5.272 10.172 -3.921 1.00 0.90 C ATOM 830 C ASP A 52 5.608 11.454 -4.682 1.00 1.06 C ATOM 831 O ASP A 52 5.819 12.503 -4.073 1.00 1.66 O ATOM 832 CB ASP A 52 6.568 9.449 -3.547 1.00 0.94 C ATOM 833 CG ASP A 52 6.369 8.393 -2.482 1.00 1.07 C ATOM 834 OD1 ASP A 52 5.565 7.457 -2.693 1.00 1.51 O ATOM 835 OD2 ASP A 52 7.020 8.485 -1.424 1.00 1.32 O ATOM 0 H ASP A 52 4.782 8.333 -4.795 1.00 0.89 H new ATOM 0 HA ASP A 52 4.724 10.461 -3.024 1.00 0.90 H new ATOM 0 HB2 ASP A 52 6.988 8.983 -4.439 1.00 0.94 H new ATOM 0 HB3 ASP A 52 7.297 10.179 -3.195 1.00 0.94 H new ATOM 840 N GLY A 53 5.640 11.370 -6.008 1.00 1.02 N ATOM 841 CA GLY A 53 5.977 12.528 -6.822 1.00 1.10 C ATOM 842 C GLY A 53 4.813 13.475 -7.075 1.00 1.05 C ATOM 843 O GLY A 53 4.884 14.315 -7.974 1.00 1.14 O ATOM 0 H GLY A 53 5.439 10.521 -6.536 1.00 1.02 H new ATOM 0 HA2 GLY A 53 6.780 13.080 -6.333 1.00 1.10 H new ATOM 0 HA3 GLY A 53 6.365 12.183 -7.781 1.00 1.10 H new ATOM 847 N ARG A 54 3.747 13.354 -6.296 1.00 0.93 N ATOM 848 CA ARG A 54 2.584 14.225 -6.461 1.00 0.91 C ATOM 849 C ARG A 54 2.392 15.098 -5.227 1.00 0.83 C ATOM 850 O ARG A 54 3.105 14.942 -4.236 1.00 0.82 O ATOM 851 CB ARG A 54 1.316 13.406 -6.705 1.00 0.93 C ATOM 852 CG ARG A 54 1.483 12.301 -7.730 1.00 1.03 C ATOM 853 CD ARG A 54 1.596 12.841 -9.147 1.00 1.30 C ATOM 854 NE ARG A 54 2.003 11.793 -10.078 1.00 1.89 N ATOM 855 CZ ARG A 54 1.666 11.752 -11.366 1.00 2.64 C ATOM 856 NH1 ARG A 54 0.933 12.713 -11.911 1.00 2.91 N ATOM 857 NH2 ARG A 54 2.083 10.739 -12.110 1.00 3.46 N ATOM 0 H ARG A 54 3.660 12.667 -5.547 1.00 0.93 H new ATOM 0 HA ARG A 54 2.766 14.860 -7.328 1.00 0.91 H new ATOM 0 HB2 ARG A 54 0.993 12.966 -5.761 1.00 0.93 H new ATOM 0 HB3 ARG A 54 0.521 14.075 -7.034 1.00 0.93 H new ATOM 0 HG2 ARG A 54 2.374 11.720 -7.493 1.00 1.03 H new ATOM 0 HG3 ARG A 54 0.634 11.621 -7.669 1.00 1.03 H new ATOM 0 HD2 ARG A 54 0.638 13.256 -9.459 1.00 1.30 H new ATOM 0 HD3 ARG A 54 2.320 13.656 -9.172 1.00 1.30 H new ATOM 0 HE ARG A 54 2.587 11.039 -9.717 1.00 1.89 H new ATOM 0 HH11 ARG A 54 0.618 13.499 -11.342 1.00 2.91 H new ATOM 0 HH12 ARG A 54 0.684 12.666 -12.899 1.00 2.91 H new ATOM 0 HH21 ARG A 54 2.655 10.003 -11.695 1.00 3.46 H new ATOM 0 HH22 ARG A 54 1.832 10.695 -13.098 1.00 3.46 H new ATOM 871 N THR A 55 1.437 16.014 -5.296 1.00 0.80 N ATOM 872 CA THR A 55 1.143 16.906 -4.182 1.00 0.76 C ATOM 873 C THR A 55 -0.231 16.605 -3.590 1.00 0.71 C ATOM 874 O THR A 55 -0.981 15.790 -4.129 1.00 0.73 O ATOM 875 CB THR A 55 1.206 18.386 -4.613 1.00 0.81 C ATOM 876 OG1 THR A 55 0.453 18.597 -5.819 1.00 1.06 O ATOM 877 CG2 THR A 55 2.646 18.820 -4.834 1.00 0.96 C ATOM 0 H THR A 55 0.849 16.160 -6.117 1.00 0.80 H new ATOM 0 HA THR A 55 1.905 16.732 -3.422 1.00 0.76 H new ATOM 0 HB THR A 55 0.772 18.985 -3.812 1.00 0.81 H new ATOM 0 HG1 THR A 55 0.090 17.742 -6.132 1.00 1.06 H new ATOM 0 HG21 THR A 55 2.668 19.867 -5.137 1.00 0.96 H new ATOM 0 HG22 THR A 55 3.209 18.698 -3.908 1.00 0.96 H new ATOM 0 HG23 THR A 55 3.095 18.206 -5.615 1.00 0.96 H new ATOM 885 N LEU A 56 -0.555 17.260 -2.481 1.00 0.68 N ATOM 886 CA LEU A 56 -1.836 17.059 -1.814 1.00 0.67 C ATOM 887 C LEU A 56 -3.015 17.410 -2.723 1.00 0.70 C ATOM 888 O LEU A 56 -3.952 16.621 -2.864 1.00 0.71 O ATOM 889 CB LEU A 56 -1.906 17.884 -0.529 1.00 0.68 C ATOM 890 CG LEU A 56 -1.525 17.125 0.742 1.00 0.76 C ATOM 891 CD1 LEU A 56 -0.025 16.894 0.802 1.00 1.34 C ATOM 892 CD2 LEU A 56 -1.998 17.875 1.971 1.00 1.26 C ATOM 0 H LEU A 56 0.055 17.938 -2.023 1.00 0.68 H new ATOM 0 HA LEU A 56 -1.908 16.000 -1.567 1.00 0.67 H new ATOM 0 HB2 LEU A 56 -1.247 18.747 -0.631 1.00 0.68 H new ATOM 0 HB3 LEU A 56 -2.920 18.269 -0.416 1.00 0.68 H new ATOM 0 HG LEU A 56 -2.018 16.153 0.720 1.00 0.76 H new ATOM 0 HD11 LEU A 56 0.223 16.352 1.715 1.00 1.34 H new ATOM 0 HD12 LEU A 56 0.288 16.310 -0.063 1.00 1.34 H new ATOM 0 HD13 LEU A 56 0.491 17.854 0.798 1.00 1.34 H new ATOM 0 HD21 LEU A 56 -1.718 17.320 2.866 1.00 1.26 H new ATOM 0 HD22 LEU A 56 -1.535 18.861 1.996 1.00 1.26 H new ATOM 0 HD23 LEU A 56 -3.082 17.984 1.936 1.00 1.26 H new ATOM 904 N SER A 57 -2.968 18.585 -3.343 1.00 0.74 N ATOM 905 CA SER A 57 -4.036 19.034 -4.235 1.00 0.79 C ATOM 906 C SER A 57 -4.187 18.143 -5.473 1.00 0.82 C ATOM 907 O SER A 57 -5.090 18.347 -6.283 1.00 0.84 O ATOM 908 CB SER A 57 -3.768 20.475 -4.663 1.00 0.86 C ATOM 909 OG SER A 57 -3.204 21.220 -3.596 1.00 0.95 O ATOM 0 H SER A 57 -2.199 19.247 -3.244 1.00 0.74 H new ATOM 0 HA SER A 57 -4.972 18.970 -3.681 1.00 0.79 H new ATOM 0 HB2 SER A 57 -3.091 20.486 -5.518 1.00 0.86 H new ATOM 0 HB3 SER A 57 -4.698 20.942 -4.987 1.00 0.86 H new ATOM 0 HG SER A 57 -3.038 22.140 -3.891 1.00 0.95 H new ATOM 915 N ASP A 58 -3.313 17.153 -5.612 1.00 0.83 N ATOM 916 CA ASP A 58 -3.374 16.242 -6.749 1.00 0.88 C ATOM 917 C ASP A 58 -4.428 15.179 -6.506 1.00 0.88 C ATOM 918 O ASP A 58 -5.054 14.681 -7.440 1.00 0.94 O ATOM 919 CB ASP A 58 -2.021 15.573 -6.994 1.00 0.89 C ATOM 920 CG ASP A 58 -1.110 16.414 -7.855 1.00 0.87 C ATOM 921 OD1 ASP A 58 -1.563 16.890 -8.915 1.00 1.03 O ATOM 922 OD2 ASP A 58 0.067 16.601 -7.482 1.00 1.03 O ATOM 0 H ASP A 58 -2.557 16.961 -4.955 1.00 0.83 H new ATOM 0 HA ASP A 58 -3.636 16.824 -7.632 1.00 0.88 H new ATOM 0 HB2 ASP A 58 -1.536 15.380 -6.037 1.00 0.89 H new ATOM 0 HB3 ASP A 58 -2.178 14.606 -7.472 1.00 0.89 H new ATOM 927 N TYR A 59 -4.621 14.838 -5.240 1.00 0.84 N ATOM 928 CA TYR A 59 -5.598 13.831 -4.858 1.00 0.87 C ATOM 929 C TYR A 59 -6.707 14.453 -4.025 1.00 0.86 C ATOM 930 O TYR A 59 -7.306 13.788 -3.179 1.00 0.89 O ATOM 931 CB TYR A 59 -4.923 12.709 -4.064 1.00 0.81 C ATOM 932 CG TYR A 59 -3.817 12.004 -4.813 1.00 0.82 C ATOM 933 CD1 TYR A 59 -4.102 11.133 -5.855 1.00 0.90 C ATOM 934 CD2 TYR A 59 -2.485 12.201 -4.465 1.00 0.84 C ATOM 935 CE1 TYR A 59 -3.092 10.479 -6.532 1.00 0.98 C ATOM 936 CE2 TYR A 59 -1.471 11.552 -5.139 1.00 0.91 C ATOM 937 CZ TYR A 59 -1.779 10.692 -6.170 1.00 0.98 C ATOM 938 OH TYR A 59 -0.772 10.037 -6.837 1.00 1.11 O ATOM 0 H TYR A 59 -4.111 15.247 -4.457 1.00 0.84 H new ATOM 0 HA TYR A 59 -6.031 13.414 -5.767 1.00 0.87 H new ATOM 0 HB2 TYR A 59 -4.516 13.125 -3.142 1.00 0.81 H new ATOM 0 HB3 TYR A 59 -5.678 11.977 -3.777 1.00 0.81 H new ATOM 0 HD1 TYR A 59 -5.130 10.964 -6.141 1.00 0.90 H new ATOM 0 HD2 TYR A 59 -2.241 12.872 -3.655 1.00 0.84 H new ATOM 0 HE1 TYR A 59 -3.329 9.804 -7.341 1.00 0.98 H new ATOM 0 HE2 TYR A 59 -0.441 11.717 -4.860 1.00 0.91 H new ATOM 0 HH TYR A 59 -1.101 9.171 -7.157 1.00 1.11 H new ATOM 948 N ASN A 60 -6.983 15.729 -4.287 1.00 0.86 N ATOM 949 CA ASN A 60 -8.015 16.484 -3.569 1.00 0.87 C ATOM 950 C ASN A 60 -7.841 16.385 -2.056 1.00 0.80 C ATOM 951 O ASN A 60 -8.814 16.246 -1.311 1.00 0.81 O ATOM 952 CB ASN A 60 -9.421 16.017 -3.974 1.00 0.95 C ATOM 953 CG ASN A 60 -10.500 17.021 -3.600 1.00 1.00 C ATOM 954 OD1 ASN A 60 -10.249 18.224 -3.535 1.00 0.99 O ATOM 955 ND2 ASN A 60 -11.708 16.536 -3.355 1.00 1.07 N ATOM 0 H ASN A 60 -6.499 16.271 -5.003 1.00 0.86 H new ATOM 0 HA ASN A 60 -7.899 17.531 -3.851 1.00 0.87 H new ATOM 0 HB2 ASN A 60 -9.447 15.845 -5.050 1.00 0.95 H new ATOM 0 HB3 ASN A 60 -9.635 15.062 -3.493 1.00 0.95 H new ATOM 0 HD21 ASN A 60 -12.469 17.166 -3.102 1.00 1.07 H new ATOM 0 HD22 ASN A 60 -11.877 15.532 -3.419 1.00 1.07 H new ATOM 962 N ILE A 61 -6.602 16.444 -1.595 1.00 0.75 N ATOM 963 CA ILE A 61 -6.334 16.379 -0.174 1.00 0.70 C ATOM 964 C ILE A 61 -6.361 17.785 0.410 1.00 0.72 C ATOM 965 O ILE A 61 -5.625 18.668 -0.033 1.00 0.76 O ATOM 966 CB ILE A 61 -4.980 15.705 0.124 1.00 0.66 C ATOM 967 CG1 ILE A 61 -4.911 14.335 -0.556 1.00 0.66 C ATOM 968 CG2 ILE A 61 -4.776 15.563 1.628 1.00 0.63 C ATOM 969 CD1 ILE A 61 -3.527 13.724 -0.557 1.00 0.63 C ATOM 0 H ILE A 61 -5.773 16.536 -2.182 1.00 0.75 H new ATOM 0 HA ILE A 61 -7.109 15.770 0.291 1.00 0.70 H new ATOM 0 HB ILE A 61 -4.183 16.333 -0.274 1.00 0.66 H new ATOM 0 HG12 ILE A 61 -5.598 13.655 -0.053 1.00 0.66 H new ATOM 0 HG13 ILE A 61 -5.256 14.433 -1.585 1.00 0.66 H new ATOM 0 HG21 ILE A 61 -3.816 15.085 1.821 1.00 0.63 H new ATOM 0 HG22 ILE A 61 -4.791 16.549 2.092 1.00 0.63 H new ATOM 0 HG23 ILE A 61 -5.576 14.953 2.048 1.00 0.63 H new ATOM 0 HD11 ILE A 61 -3.557 12.755 -1.056 1.00 0.63 H new ATOM 0 HD12 ILE A 61 -2.839 14.383 -1.086 1.00 0.63 H new ATOM 0 HD13 ILE A 61 -3.186 13.593 0.470 1.00 0.63 H new ATOM 981 N GLN A 62 -7.223 17.987 1.388 1.00 0.72 N ATOM 982 CA GLN A 62 -7.371 19.284 2.025 1.00 0.75 C ATOM 983 C GLN A 62 -7.144 19.154 3.524 1.00 0.73 C ATOM 984 O GLN A 62 -6.584 18.156 3.981 1.00 0.70 O ATOM 985 CB GLN A 62 -8.766 19.842 1.732 1.00 0.82 C ATOM 986 CG GLN A 62 -9.065 19.954 0.245 1.00 0.86 C ATOM 987 CD GLN A 62 -10.540 20.130 -0.044 1.00 0.98 C ATOM 988 OE1 GLN A 62 -11.278 20.706 0.754 1.00 1.04 O ATOM 989 NE2 GLN A 62 -10.984 19.632 -1.186 1.00 1.14 N ATOM 0 H GLN A 62 -7.837 17.263 1.762 1.00 0.72 H new ATOM 0 HA GLN A 62 -6.628 19.975 1.625 1.00 0.75 H new ATOM 0 HB2 GLN A 62 -9.513 19.200 2.199 1.00 0.82 H new ATOM 0 HB3 GLN A 62 -8.860 20.826 2.190 1.00 0.82 H new ATOM 0 HG2 GLN A 62 -8.515 20.799 -0.169 1.00 0.86 H new ATOM 0 HG3 GLN A 62 -8.704 19.059 -0.262 1.00 0.86 H new ATOM 0 HE21 GLN A 62 -10.340 19.161 -1.822 1.00 1.14 H new ATOM 0 HE22 GLN A 62 -11.970 19.719 -1.431 1.00 1.14 H new ATOM 998 N LYS A 63 -7.554 20.151 4.289 1.00 0.78 N ATOM 999 CA LYS A 63 -7.392 20.105 5.734 1.00 0.81 C ATOM 1000 C LYS A 63 -8.285 19.022 6.337 1.00 0.84 C ATOM 1001 O LYS A 63 -9.308 18.655 5.751 1.00 0.88 O ATOM 1002 CB LYS A 63 -7.716 21.467 6.358 1.00 0.89 C ATOM 1003 CG LYS A 63 -9.186 21.851 6.274 1.00 0.98 C ATOM 1004 CD LYS A 63 -9.450 23.200 6.920 1.00 1.05 C ATOM 1005 CE LYS A 63 -9.261 24.345 5.937 1.00 1.20 C ATOM 1006 NZ LYS A 63 -10.202 24.259 4.787 1.00 1.50 N ATOM 0 H LYS A 63 -7.999 20.999 3.937 1.00 0.78 H new ATOM 0 HA LYS A 63 -6.352 19.863 5.953 1.00 0.81 H new ATOM 0 HB2 LYS A 63 -7.413 21.457 7.405 1.00 0.89 H new ATOM 0 HB3 LYS A 63 -7.122 22.234 5.861 1.00 0.89 H new ATOM 0 HG2 LYS A 63 -9.496 21.881 5.229 1.00 0.98 H new ATOM 0 HG3 LYS A 63 -9.790 21.088 6.764 1.00 0.98 H new ATOM 0 HD2 LYS A 63 -10.467 23.222 7.312 1.00 1.05 H new ATOM 0 HD3 LYS A 63 -8.778 23.334 7.768 1.00 1.05 H new ATOM 0 HE2 LYS A 63 -9.407 25.293 6.454 1.00 1.20 H new ATOM 0 HE3 LYS A 63 -8.236 24.338 5.567 1.00 1.20 H new ATOM 0 HZ1 LYS A 63 -10.364 25.210 4.399 1.00 1.50 H new ATOM 0 HZ2 LYS A 63 -9.795 23.649 4.050 1.00 1.50 H new ATOM 0 HZ3 LYS A 63 -11.106 23.858 5.108 1.00 1.50 H new ATOM 1020 N GLU A 64 -7.887 18.528 7.506 1.00 0.86 N ATOM 1021 CA GLU A 64 -8.619 17.482 8.227 1.00 0.91 C ATOM 1022 C GLU A 64 -8.833 16.206 7.404 1.00 0.83 C ATOM 1023 O GLU A 64 -9.662 15.367 7.766 1.00 0.87 O ATOM 1024 CB GLU A 64 -9.969 18.021 8.692 1.00 1.04 C ATOM 1025 CG GLU A 64 -9.858 19.051 9.801 1.00 1.15 C ATOM 1026 CD GLU A 64 -9.262 18.475 11.067 1.00 1.26 C ATOM 1027 OE1 GLU A 64 -9.977 17.747 11.787 1.00 1.73 O ATOM 1028 OE2 GLU A 64 -8.080 18.753 11.353 1.00 1.64 O ATOM 0 H GLU A 64 -7.043 18.842 7.985 1.00 0.86 H new ATOM 0 HA GLU A 64 -8.000 17.206 9.081 1.00 0.91 H new ATOM 0 HB2 GLU A 64 -10.486 18.467 7.842 1.00 1.04 H new ATOM 0 HB3 GLU A 64 -10.584 17.190 9.038 1.00 1.04 H new ATOM 0 HG2 GLU A 64 -9.243 19.884 9.459 1.00 1.15 H new ATOM 0 HG3 GLU A 64 -10.847 19.454 10.019 1.00 1.15 H new ATOM 1035 N SER A 65 -8.114 16.061 6.298 1.00 0.74 N ATOM 1036 CA SER A 65 -8.251 14.873 5.466 1.00 0.68 C ATOM 1037 C SER A 65 -7.682 13.651 6.174 1.00 0.61 C ATOM 1038 O SER A 65 -6.794 13.769 7.022 1.00 0.59 O ATOM 1039 CB SER A 65 -7.561 15.074 4.119 1.00 0.65 C ATOM 1040 OG SER A 65 -8.143 16.153 3.414 1.00 0.72 O ATOM 0 H SER A 65 -7.437 16.744 5.959 1.00 0.74 H new ATOM 0 HA SER A 65 -9.313 14.706 5.288 1.00 0.68 H new ATOM 0 HB2 SER A 65 -6.499 15.265 4.274 1.00 0.65 H new ATOM 0 HB3 SER A 65 -7.638 14.163 3.526 1.00 0.65 H new ATOM 0 HG SER A 65 -7.889 16.998 3.841 1.00 0.72 H new ATOM 1046 N THR A 66 -8.182 12.485 5.806 1.00 0.59 N ATOM 1047 CA THR A 66 -7.744 11.244 6.407 1.00 0.57 C ATOM 1048 C THR A 66 -6.915 10.444 5.415 1.00 0.55 C ATOM 1049 O THR A 66 -7.441 9.896 4.442 1.00 0.61 O ATOM 1050 CB THR A 66 -8.946 10.405 6.883 1.00 0.66 C ATOM 1051 OG1 THR A 66 -9.839 11.225 7.649 1.00 0.76 O ATOM 1052 CG2 THR A 66 -8.489 9.223 7.727 1.00 0.68 C ATOM 0 H THR A 66 -8.898 12.375 5.087 1.00 0.59 H new ATOM 0 HA THR A 66 -7.130 11.487 7.274 1.00 0.57 H new ATOM 0 HB THR A 66 -9.462 10.021 6.003 1.00 0.66 H new ATOM 0 HG1 THR A 66 -10.602 10.687 7.948 1.00 0.76 H new ATOM 0 HG21 THR A 66 -9.358 8.649 8.049 1.00 0.68 H new ATOM 0 HG22 THR A 66 -7.832 8.586 7.135 1.00 0.68 H new ATOM 0 HG23 THR A 66 -7.950 9.587 8.602 1.00 0.68 H new ATOM 1060 N LEU A 67 -5.618 10.381 5.659 1.00 0.51 N ATOM 1061 CA LEU A 67 -4.716 9.653 4.790 1.00 0.53 C ATOM 1062 C LEU A 67 -4.317 8.363 5.474 1.00 0.56 C ATOM 1063 O LEU A 67 -4.014 8.361 6.665 1.00 0.77 O ATOM 1064 CB LEU A 67 -3.469 10.490 4.483 1.00 0.53 C ATOM 1065 CG LEU A 67 -3.740 11.893 3.932 1.00 0.58 C ATOM 1066 CD1 LEU A 67 -2.439 12.662 3.764 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -4.485 11.812 2.609 1.00 0.84 C ATOM 0 H LEU A 67 -5.166 10.828 6.456 1.00 0.51 H new ATOM 0 HA LEU A 67 -5.219 9.436 3.848 1.00 0.53 H new ATOM 0 HB2 LEU A 67 -2.881 10.584 5.396 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -2.856 9.947 3.763 1.00 0.53 H new ATOM 0 HG LEU A 67 -4.365 12.427 4.647 1.00 0.58 H new ATOM 0 HD11 LEU A 67 -2.652 13.656 3.372 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -1.942 12.752 4.730 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -1.789 12.130 3.070 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -4.669 12.818 2.233 1.00 0.84 H new ATOM 0 HD22 LEU A 67 -3.885 11.259 1.887 1.00 0.84 H new ATOM 0 HD23 LEU A 67 -5.436 11.301 2.758 1.00 0.84 H new ATOM 1079 N HIS A 68 -4.341 7.266 4.744 1.00 0.50 N ATOM 1080 CA HIS A 68 -3.975 5.987 5.319 1.00 0.54 C ATOM 1081 C HIS A 68 -2.516 5.670 5.035 1.00 0.49 C ATOM 1082 O HIS A 68 -2.019 5.890 3.931 1.00 0.50 O ATOM 1083 CB HIS A 68 -4.888 4.878 4.800 1.00 0.63 C ATOM 1084 CG HIS A 68 -6.148 4.732 5.595 1.00 0.70 C ATOM 1085 ND1 HIS A 68 -6.907 3.586 5.598 1.00 1.18 N ATOM 1086 CD2 HIS A 68 -6.780 5.603 6.415 1.00 1.42 C ATOM 1087 CE1 HIS A 68 -7.952 3.754 6.385 1.00 1.33 C ATOM 1088 NE2 HIS A 68 -7.900 4.971 6.895 1.00 1.45 N ATOM 0 H HIS A 68 -4.608 7.233 3.760 1.00 0.50 H new ATOM 0 HA HIS A 68 -4.103 6.048 6.400 1.00 0.54 H new ATOM 0 HB2 HIS A 68 -5.144 5.083 3.760 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -4.345 3.933 4.814 1.00 0.63 H new ATOM 0 HD2 HIS A 68 -6.462 6.608 6.648 1.00 1.42 H new ATOM 0 HE1 HIS A 68 -8.720 3.020 6.579 1.00 1.33 H new ATOM 0 HE2 HIS A 68 -8.580 5.375 7.539 1.00 1.45 H new ATOM 1097 N LEU A 69 -1.836 5.173 6.051 1.00 0.48 N ATOM 1098 CA LEU A 69 -0.426 4.830 5.940 1.00 0.47 C ATOM 1099 C LEU A 69 -0.203 3.367 6.293 1.00 0.53 C ATOM 1100 O LEU A 69 -0.886 2.817 7.151 1.00 0.64 O ATOM 1101 CB LEU A 69 0.408 5.725 6.865 1.00 0.49 C ATOM 1102 CG LEU A 69 1.916 5.451 6.858 1.00 0.67 C ATOM 1103 CD1 LEU A 69 2.546 5.955 5.572 1.00 0.90 C ATOM 1104 CD2 LEU A 69 2.578 6.095 8.066 1.00 1.00 C ATOM 0 H LEU A 69 -2.239 4.996 6.971 1.00 0.48 H new ATOM 0 HA LEU A 69 -0.111 4.991 4.909 1.00 0.47 H new ATOM 0 HB2 LEU A 69 0.243 6.765 6.582 1.00 0.49 H new ATOM 0 HB3 LEU A 69 0.039 5.609 7.884 1.00 0.49 H new ATOM 0 HG LEU A 69 2.070 4.373 6.913 1.00 0.67 H new ATOM 0 HD11 LEU A 69 3.617 5.751 5.587 1.00 0.90 H new ATOM 0 HD12 LEU A 69 2.092 5.448 4.721 1.00 0.90 H new ATOM 0 HD13 LEU A 69 2.383 7.029 5.483 1.00 0.90 H new ATOM 0 HD21 LEU A 69 3.649 5.891 8.046 1.00 1.00 H new ATOM 0 HD22 LEU A 69 2.413 7.172 8.040 1.00 1.00 H new ATOM 0 HD23 LEU A 69 2.147 5.684 8.979 1.00 1.00 H new ATOM 1116 N VAL A 70 0.724 2.726 5.602 1.00 0.53 N ATOM 1117 CA VAL A 70 1.057 1.334 5.872 1.00 0.59 C ATOM 1118 C VAL A 70 2.569 1.163 5.826 1.00 0.57 C ATOM 1119 O VAL A 70 3.229 1.709 4.942 1.00 0.57 O ATOM 1120 CB VAL A 70 0.400 0.351 4.874 1.00 0.65 C ATOM 1121 CG1 VAL A 70 0.227 -1.015 5.519 1.00 1.08 C ATOM 1122 CG2 VAL A 70 -0.940 0.872 4.379 1.00 1.05 C ATOM 0 H VAL A 70 1.263 3.148 4.846 1.00 0.53 H new ATOM 0 HA VAL A 70 0.666 1.095 6.861 1.00 0.59 H new ATOM 0 HB VAL A 70 1.061 0.259 4.012 1.00 0.65 H new ATOM 0 HG11 VAL A 70 -0.236 -1.698 4.807 1.00 1.08 H new ATOM 0 HG12 VAL A 70 1.202 -1.404 5.814 1.00 1.08 H new ATOM 0 HG13 VAL A 70 -0.408 -0.924 6.400 1.00 1.08 H new ATOM 0 HG21 VAL A 70 -1.373 0.156 3.680 1.00 1.05 H new ATOM 0 HG22 VAL A 70 -1.614 1.005 5.225 1.00 1.05 H new ATOM 0 HG23 VAL A 70 -0.795 1.828 3.876 1.00 1.05 H new ATOM 1132 N LEU A 71 3.112 0.423 6.778 1.00 0.61 N ATOM 1133 CA LEU A 71 4.551 0.201 6.851 1.00 0.63 C ATOM 1134 C LEU A 71 4.997 -0.900 5.895 1.00 0.64 C ATOM 1135 O LEU A 71 4.344 -1.940 5.779 1.00 0.70 O ATOM 1136 CB LEU A 71 4.956 -0.155 8.284 1.00 0.73 C ATOM 1137 CG LEU A 71 4.629 0.911 9.334 1.00 0.86 C ATOM 1138 CD1 LEU A 71 4.874 0.372 10.735 1.00 0.97 C ATOM 1139 CD2 LEU A 71 5.452 2.166 9.095 1.00 0.98 C ATOM 0 H LEU A 71 2.578 -0.037 7.515 1.00 0.61 H new ATOM 0 HA LEU A 71 5.046 1.125 6.553 1.00 0.63 H new ATOM 0 HB2 LEU A 71 4.460 -1.084 8.565 1.00 0.73 H new ATOM 0 HB3 LEU A 71 6.029 -0.347 8.305 1.00 0.73 H new ATOM 0 HG LEU A 71 3.574 1.170 9.244 1.00 0.86 H new ATOM 0 HD11 LEU A 71 4.636 1.143 11.468 1.00 0.97 H new ATOM 0 HD12 LEU A 71 4.241 -0.499 10.906 1.00 0.97 H new ATOM 0 HD13 LEU A 71 5.921 0.085 10.837 1.00 0.97 H new ATOM 0 HD21 LEU A 71 5.206 2.912 9.851 1.00 0.98 H new ATOM 0 HD22 LEU A 71 6.513 1.923 9.157 1.00 0.98 H new ATOM 0 HD23 LEU A 71 5.228 2.565 8.105 1.00 0.98 H new ATOM 1151 N ARG A 72 6.099 -0.653 5.200 1.00 0.88 N ATOM 1152 CA ARG A 72 6.665 -1.614 4.260 1.00 0.97 C ATOM 1153 C ARG A 72 8.177 -1.663 4.435 1.00 1.16 C ATOM 1154 O ARG A 72 8.906 -0.902 3.801 1.00 1.48 O ATOM 1155 CB ARG A 72 6.324 -1.228 2.816 1.00 1.07 C ATOM 1156 CG ARG A 72 5.763 -2.375 1.984 1.00 1.39 C ATOM 1157 CD ARG A 72 6.807 -3.443 1.690 1.00 1.15 C ATOM 1158 NE ARG A 72 6.205 -4.630 1.079 1.00 1.50 N ATOM 1159 CZ ARG A 72 6.597 -5.168 -0.080 1.00 1.88 C ATOM 1160 NH1 ARG A 72 7.639 -4.673 -0.740 1.00 2.11 N ATOM 1161 NH2 ARG A 72 5.955 -6.224 -0.566 1.00 2.62 N ATOM 0 H ARG A 72 6.626 0.217 5.271 1.00 0.88 H new ATOM 0 HA ARG A 72 6.238 -2.596 4.464 1.00 0.97 H new ATOM 0 HB2 ARG A 72 5.599 -0.414 2.830 1.00 1.07 H new ATOM 0 HB3 ARG A 72 7.222 -0.846 2.331 1.00 1.07 H new ATOM 0 HG2 ARG A 72 4.924 -2.827 2.512 1.00 1.39 H new ATOM 0 HG3 ARG A 72 5.374 -1.982 1.044 1.00 1.39 H new ATOM 0 HD2 ARG A 72 7.567 -3.036 1.024 1.00 1.15 H new ATOM 0 HD3 ARG A 72 7.311 -3.725 2.615 1.00 1.15 H new ATOM 0 HE ARG A 72 5.433 -5.077 1.572 1.00 1.50 H new ATOM 0 HH11 ARG A 72 8.149 -3.874 -0.363 1.00 2.11 H new ATOM 0 HH12 ARG A 72 7.929 -5.092 -1.624 1.00 2.11 H new ATOM 0 HH21 ARG A 72 5.166 -6.621 -0.055 1.00 2.62 H new ATOM 0 HH22 ARG A 72 6.250 -6.638 -1.450 1.00 2.62 H new ATOM 1175 N LEU A 73 8.640 -2.542 5.306 1.00 1.26 N ATOM 1176 CA LEU A 73 10.064 -2.676 5.570 1.00 1.52 C ATOM 1177 C LEU A 73 10.542 -4.094 5.279 1.00 1.66 C ATOM 1178 O LEU A 73 9.759 -5.044 5.331 1.00 1.74 O ATOM 1179 CB LEU A 73 10.378 -2.310 7.026 1.00 1.76 C ATOM 1180 CG LEU A 73 9.723 -3.199 8.086 1.00 1.75 C ATOM 1181 CD1 LEU A 73 10.706 -3.499 9.208 1.00 2.34 C ATOM 1182 CD2 LEU A 73 8.469 -2.534 8.639 1.00 1.97 C ATOM 0 H LEU A 73 8.050 -3.176 5.845 1.00 1.26 H new ATOM 0 HA LEU A 73 10.592 -1.989 4.909 1.00 1.52 H new ATOM 0 HB2 LEU A 73 11.458 -2.344 7.166 1.00 1.76 H new ATOM 0 HB3 LEU A 73 10.067 -1.280 7.198 1.00 1.76 H new ATOM 0 HG LEU A 73 9.435 -4.140 7.618 1.00 1.75 H new ATOM 0 HD11 LEU A 73 10.225 -4.132 9.954 1.00 2.34 H new ATOM 0 HD12 LEU A 73 11.576 -4.014 8.801 1.00 2.34 H new ATOM 0 HD13 LEU A 73 11.022 -2.566 9.674 1.00 2.34 H new ATOM 0 HD21 LEU A 73 8.016 -3.180 9.391 1.00 1.97 H new ATOM 0 HD22 LEU A 73 8.734 -1.579 9.093 1.00 1.97 H new ATOM 0 HD23 LEU A 73 7.759 -2.367 7.829 1.00 1.97 H new ATOM 1194 N ARG A 74 11.825 -4.222 4.968 1.00 2.10 N ATOM 1195 CA ARG A 74 12.421 -5.519 4.684 1.00 2.39 C ATOM 1196 C ARG A 74 12.404 -6.393 5.934 1.00 2.58 C ATOM 1197 O ARG A 74 12.878 -5.986 6.998 1.00 2.82 O ATOM 1198 CB ARG A 74 13.856 -5.343 4.170 1.00 2.88 C ATOM 1199 CG ARG A 74 14.682 -6.621 4.189 1.00 2.99 C ATOM 1200 CD ARG A 74 15.132 -7.018 2.793 1.00 3.11 C ATOM 1201 NE ARG A 74 14.056 -7.630 2.014 1.00 3.20 N ATOM 1202 CZ ARG A 74 14.254 -8.379 0.932 1.00 3.72 C ATOM 1203 NH1 ARG A 74 15.485 -8.672 0.535 1.00 4.12 N ATOM 1204 NH2 ARG A 74 13.215 -8.852 0.259 1.00 4.33 N ATOM 0 H ARG A 74 12.475 -3.439 4.906 1.00 2.10 H new ATOM 0 HA ARG A 74 11.834 -6.013 3.909 1.00 2.39 H new ATOM 0 HB2 ARG A 74 13.821 -4.960 3.150 1.00 2.88 H new ATOM 0 HB3 ARG A 74 14.358 -4.589 4.776 1.00 2.88 H new ATOM 0 HG2 ARG A 74 15.555 -6.481 4.827 1.00 2.99 H new ATOM 0 HG3 ARG A 74 14.094 -7.428 4.626 1.00 2.99 H new ATOM 0 HD2 ARG A 74 15.501 -6.136 2.269 1.00 3.11 H new ATOM 0 HD3 ARG A 74 15.966 -7.716 2.868 1.00 3.11 H new ATOM 0 HE ARG A 74 13.095 -7.473 2.319 1.00 3.20 H new ATOM 0 HH11 ARG A 74 16.287 -8.323 1.060 1.00 4.12 H new ATOM 0 HH12 ARG A 74 15.630 -9.247 -0.295 1.00 4.12 H new ATOM 0 HH21 ARG A 74 12.267 -8.642 0.571 1.00 4.33 H new ATOM 0 HH22 ARG A 74 13.363 -9.426 -0.571 1.00 4.33 H new ATOM 1218 N GLY A 75 11.847 -7.586 5.801 1.00 2.94 N ATOM 1219 CA GLY A 75 11.767 -8.497 6.925 1.00 3.23 C ATOM 1220 C GLY A 75 10.708 -8.081 7.925 1.00 2.96 C ATOM 1221 O GLY A 75 10.765 -8.462 9.095 1.00 3.19 O ATOM 0 H GLY A 75 11.447 -7.942 4.933 1.00 2.94 H new ATOM 0 HA2 GLY A 75 11.547 -9.501 6.562 1.00 3.23 H new ATOM 0 HA3 GLY A 75 12.736 -8.543 7.422 1.00 3.23 H new ATOM 1225 N GLY A 76 9.750 -7.283 7.472 1.00 2.87 N ATOM 1226 CA GLY A 76 8.683 -6.833 8.347 1.00 2.77 C ATOM 1227 C GLY A 76 7.730 -7.956 8.699 1.00 2.78 C ATOM 1228 O GLY A 76 7.651 -8.925 7.900 1.00 3.13 O ATOM 0 H GLY A 76 9.692 -6.939 6.514 1.00 2.87 H new ATOM 0 HA2 GLY A 76 9.112 -6.421 9.260 1.00 2.77 H new ATOM 0 HA3 GLY A 76 8.132 -6.027 7.862 1.00 2.77 H new TER 1232 GLY A 76 ATOM 1233 N MET B 1 -3.851 -24.248 0.055 1.00 0.61 N ATOM 1234 CA MET B 1 -4.956 -23.486 0.686 1.00 0.57 C ATOM 1235 C MET B 1 -5.422 -22.381 -0.253 1.00 0.53 C ATOM 1236 O MET B 1 -4.739 -22.056 -1.218 1.00 0.56 O ATOM 1237 CB MET B 1 -4.506 -22.891 2.027 1.00 0.59 C ATOM 1238 CG MET B 1 -3.597 -21.676 1.902 1.00 0.58 C ATOM 1239 SD MET B 1 -2.825 -21.219 3.465 1.00 0.63 S ATOM 1240 CE MET B 1 -1.966 -19.719 2.994 1.00 0.64 C ATOM 0 H1 MET B 1 -3.359 -24.810 0.779 1.00 0.61 H new ATOM 0 H2 MET B 1 -4.238 -24.883 -0.672 1.00 0.61 H new ATOM 0 H3 MET B 1 -3.180 -23.586 -0.385 1.00 0.61 H new ATOM 0 HA MET B 1 -5.786 -24.166 0.877 1.00 0.57 H new ATOM 0 HB2 MET B 1 -5.389 -22.611 2.601 1.00 0.59 H new ATOM 0 HB3 MET B 1 -3.986 -23.661 2.596 1.00 0.59 H new ATOM 0 HG2 MET B 1 -2.821 -21.883 1.165 1.00 0.58 H new ATOM 0 HG3 MET B 1 -4.176 -20.832 1.527 1.00 0.58 H new ATOM 0 HE1 MET B 1 -1.438 -19.315 3.858 1.00 0.64 H new ATOM 0 HE2 MET B 1 -1.250 -19.943 2.204 1.00 0.64 H new ATOM 0 HE3 MET B 1 -2.687 -18.985 2.633 1.00 0.64 H new ATOM 1252 N GLN B 2 -6.582 -21.804 0.010 1.00 0.59 N ATOM 1253 CA GLN B 2 -7.095 -20.743 -0.840 1.00 0.58 C ATOM 1254 C GLN B 2 -7.252 -19.451 -0.050 1.00 0.55 C ATOM 1255 O GLN B 2 -7.576 -19.476 1.137 1.00 0.63 O ATOM 1256 CB GLN B 2 -8.433 -21.158 -1.453 1.00 0.69 C ATOM 1257 CG GLN B 2 -8.326 -22.351 -2.390 1.00 1.50 C ATOM 1258 CD GLN B 2 -9.675 -22.914 -2.783 1.00 1.69 C ATOM 1259 OE1 GLN B 2 -10.639 -22.849 -2.018 1.00 1.60 O ATOM 1260 NE2 GLN B 2 -9.755 -23.474 -3.978 1.00 2.50 N ATOM 0 H GLN B 2 -7.182 -22.049 0.798 1.00 0.59 H new ATOM 0 HA GLN B 2 -6.380 -20.568 -1.644 1.00 0.58 H new ATOM 0 HB2 GLN B 2 -9.132 -21.397 -0.652 1.00 0.69 H new ATOM 0 HB3 GLN B 2 -8.851 -20.313 -2.000 1.00 0.69 H new ATOM 0 HG2 GLN B 2 -7.786 -22.053 -3.289 1.00 1.50 H new ATOM 0 HG3 GLN B 2 -7.738 -23.133 -1.909 1.00 1.50 H new ATOM 0 HE21 GLN B 2 -8.933 -23.508 -4.582 1.00 2.50 H new ATOM 0 HE22 GLN B 2 -10.638 -23.872 -4.296 1.00 2.50 H new ATOM 1269 N ILE B 3 -6.999 -18.332 -0.709 1.00 0.50 N ATOM 1270 CA ILE B 3 -7.118 -17.024 -0.078 1.00 0.50 C ATOM 1271 C ILE B 3 -8.032 -16.128 -0.901 1.00 0.50 C ATOM 1272 O ILE B 3 -8.337 -16.436 -2.055 1.00 0.50 O ATOM 1273 CB ILE B 3 -5.749 -16.325 0.088 1.00 0.50 C ATOM 1274 CG1 ILE B 3 -5.046 -16.189 -1.268 1.00 0.49 C ATOM 1275 CG2 ILE B 3 -4.877 -17.085 1.080 1.00 0.52 C ATOM 1276 CD1 ILE B 3 -3.873 -15.233 -1.250 1.00 0.55 C ATOM 0 H ILE B 3 -6.708 -18.302 -1.686 1.00 0.50 H new ATOM 0 HA ILE B 3 -7.538 -17.188 0.914 1.00 0.50 H new ATOM 0 HB ILE B 3 -5.918 -15.323 0.484 1.00 0.50 H new ATOM 0 HG12 ILE B 3 -4.698 -17.171 -1.588 1.00 0.49 H new ATOM 0 HG13 ILE B 3 -5.769 -15.850 -2.010 1.00 0.49 H new ATOM 0 HG21 ILE B 3 -3.918 -16.578 1.184 1.00 0.52 H new ATOM 0 HG22 ILE B 3 -5.375 -17.121 2.049 1.00 0.52 H new ATOM 0 HG23 ILE B 3 -4.714 -18.100 0.718 1.00 0.52 H new ATOM 0 HD11 ILE B 3 -3.425 -15.188 -2.243 1.00 0.55 H new ATOM 0 HD12 ILE B 3 -4.217 -14.240 -0.962 1.00 0.55 H new ATOM 0 HD13 ILE B 3 -3.130 -15.582 -0.533 1.00 0.55 H new ATOM 1288 N PHE B 4 -8.462 -15.027 -0.310 1.00 0.54 N ATOM 1289 CA PHE B 4 -9.341 -14.092 -0.990 1.00 0.58 C ATOM 1290 C PHE B 4 -8.653 -12.749 -1.158 1.00 0.56 C ATOM 1291 O PHE B 4 -8.180 -12.154 -0.188 1.00 0.56 O ATOM 1292 CB PHE B 4 -10.649 -13.915 -0.216 1.00 0.65 C ATOM 1293 CG PHE B 4 -11.427 -15.191 -0.053 1.00 0.72 C ATOM 1294 CD1 PHE B 4 -12.024 -15.796 -1.148 1.00 1.07 C ATOM 1295 CD2 PHE B 4 -11.555 -15.784 1.189 1.00 1.13 C ATOM 1296 CE1 PHE B 4 -12.734 -16.974 -1.001 1.00 1.13 C ATOM 1297 CE2 PHE B 4 -12.264 -16.958 1.341 1.00 1.24 C ATOM 1298 CZ PHE B 4 -12.853 -17.555 0.246 1.00 0.96 C ATOM 0 H PHE B 4 -8.216 -14.758 0.643 1.00 0.54 H new ATOM 0 HA PHE B 4 -9.573 -14.498 -1.974 1.00 0.58 H new ATOM 0 HB2 PHE B 4 -10.426 -13.506 0.770 1.00 0.65 H new ATOM 0 HB3 PHE B 4 -11.271 -13.183 -0.732 1.00 0.65 H new ATOM 0 HD1 PHE B 4 -11.934 -15.344 -2.125 1.00 1.07 H new ATOM 0 HD2 PHE B 4 -11.095 -15.323 2.050 1.00 1.13 H new ATOM 0 HE1 PHE B 4 -13.195 -17.439 -1.860 1.00 1.13 H new ATOM 0 HE2 PHE B 4 -12.358 -17.409 2.318 1.00 1.24 H new ATOM 0 HZ PHE B 4 -13.406 -18.475 0.364 1.00 0.96 H new ATOM 1308 N VAL B 5 -8.593 -12.275 -2.387 1.00 0.54 N ATOM 1309 CA VAL B 5 -7.967 -11.002 -2.687 1.00 0.54 C ATOM 1310 C VAL B 5 -9.030 -9.972 -3.038 1.00 0.55 C ATOM 1311 O VAL B 5 -9.673 -10.057 -4.085 1.00 0.55 O ATOM 1312 CB VAL B 5 -6.960 -11.112 -3.852 1.00 0.54 C ATOM 1313 CG1 VAL B 5 -6.160 -9.827 -3.996 1.00 0.55 C ATOM 1314 CG2 VAL B 5 -6.032 -12.302 -3.654 1.00 0.57 C ATOM 0 H VAL B 5 -8.974 -12.758 -3.201 1.00 0.54 H new ATOM 0 HA VAL B 5 -7.420 -10.691 -1.797 1.00 0.54 H new ATOM 0 HB VAL B 5 -7.523 -11.269 -4.772 1.00 0.54 H new ATOM 0 HG11 VAL B 5 -5.457 -9.927 -4.823 1.00 0.55 H new ATOM 0 HG12 VAL B 5 -6.838 -8.997 -4.195 1.00 0.55 H new ATOM 0 HG13 VAL B 5 -5.611 -9.635 -3.074 1.00 0.55 H new ATOM 0 HG21 VAL B 5 -5.331 -12.360 -4.487 1.00 0.57 H new ATOM 0 HG22 VAL B 5 -5.479 -12.181 -2.722 1.00 0.57 H new ATOM 0 HG23 VAL B 5 -6.620 -13.219 -3.611 1.00 0.57 H new ATOM 1324 N LYS B 6 -9.232 -9.019 -2.145 1.00 0.57 N ATOM 1325 CA LYS B 6 -10.209 -7.971 -2.356 1.00 0.59 C ATOM 1326 C LYS B 6 -9.608 -6.855 -3.193 1.00 0.77 C ATOM 1327 O LYS B 6 -8.649 -6.198 -2.779 1.00 0.89 O ATOM 1328 CB LYS B 6 -10.698 -7.412 -1.018 1.00 0.59 C ATOM 1329 CG LYS B 6 -11.977 -8.059 -0.512 1.00 0.89 C ATOM 1330 CD LYS B 6 -13.144 -7.788 -1.447 1.00 1.36 C ATOM 1331 CE LYS B 6 -14.478 -8.049 -0.768 1.00 1.66 C ATOM 1332 NZ LYS B 6 -15.596 -8.092 -1.744 1.00 2.10 N ATOM 0 H LYS B 6 -8.727 -8.952 -1.261 1.00 0.57 H new ATOM 0 HA LYS B 6 -11.060 -8.397 -2.887 1.00 0.59 H new ATOM 0 HB2 LYS B 6 -9.915 -7.545 -0.272 1.00 0.59 H new ATOM 0 HB3 LYS B 6 -10.861 -6.339 -1.121 1.00 0.59 H new ATOM 0 HG2 LYS B 6 -11.829 -9.135 -0.415 1.00 0.89 H new ATOM 0 HG3 LYS B 6 -12.210 -7.679 0.483 1.00 0.89 H new ATOM 0 HD2 LYS B 6 -13.105 -6.753 -1.788 1.00 1.36 H new ATOM 0 HD3 LYS B 6 -13.056 -8.419 -2.332 1.00 1.36 H new ATOM 0 HE2 LYS B 6 -14.431 -8.994 -0.227 1.00 1.66 H new ATOM 0 HE3 LYS B 6 -14.669 -7.269 -0.031 1.00 1.66 H new ATOM 0 HZ1 LYS B 6 -16.502 -8.016 -1.238 1.00 2.10 H new ATOM 0 HZ2 LYS B 6 -15.505 -7.299 -2.411 1.00 2.10 H new ATOM 0 HZ3 LYS B 6 -15.566 -8.990 -2.267 1.00 2.10 H new ATOM 1346 N THR B 7 -10.169 -6.655 -4.370 1.00 0.98 N ATOM 1347 CA THR B 7 -9.698 -5.623 -5.269 1.00 1.24 C ATOM 1348 C THR B 7 -10.379 -4.298 -4.942 1.00 1.28 C ATOM 1349 O THR B 7 -11.425 -4.278 -4.291 1.00 1.19 O ATOM 1350 CB THR B 7 -9.975 -6.010 -6.734 1.00 1.42 C ATOM 1351 OG1 THR B 7 -10.190 -7.425 -6.823 1.00 2.41 O ATOM 1352 CG2 THR B 7 -8.809 -5.618 -7.629 1.00 1.57 C ATOM 0 H THR B 7 -10.956 -7.198 -4.726 1.00 0.98 H new ATOM 0 HA THR B 7 -8.621 -5.515 -5.138 1.00 1.24 H new ATOM 0 HB THR B 7 -10.864 -5.476 -7.070 1.00 1.42 H new ATOM 0 HG1 THR B 7 -10.368 -7.671 -7.755 1.00 2.41 H new ATOM 0 HG21 THR B 7 -9.029 -5.902 -8.658 1.00 1.57 H new ATOM 0 HG22 THR B 7 -8.655 -4.540 -7.575 1.00 1.57 H new ATOM 0 HG23 THR B 7 -7.906 -6.131 -7.296 1.00 1.57 H new ATOM 1360 N LEU B 8 -9.792 -3.199 -5.400 1.00 1.48 N ATOM 1361 CA LEU B 8 -10.335 -1.867 -5.144 1.00 1.61 C ATOM 1362 C LEU B 8 -11.737 -1.708 -5.732 1.00 1.52 C ATOM 1363 O LEU B 8 -12.523 -0.882 -5.270 1.00 1.55 O ATOM 1364 CB LEU B 8 -9.402 -0.800 -5.716 1.00 1.99 C ATOM 1365 CG LEU B 8 -9.843 0.648 -5.486 1.00 2.60 C ATOM 1366 CD1 LEU B 8 -9.980 0.940 -4.000 1.00 2.87 C ATOM 1367 CD2 LEU B 8 -8.860 1.607 -6.132 1.00 3.45 C ATOM 0 H LEU B 8 -8.935 -3.203 -5.954 1.00 1.48 H new ATOM 0 HA LEU B 8 -10.410 -1.740 -4.064 1.00 1.61 H new ATOM 0 HB2 LEU B 8 -8.412 -0.935 -5.279 1.00 1.99 H new ATOM 0 HB3 LEU B 8 -9.302 -0.966 -6.789 1.00 1.99 H new ATOM 0 HG LEU B 8 -10.819 0.789 -5.949 1.00 2.60 H new ATOM 0 HD11 LEU B 8 -10.294 1.974 -3.860 1.00 2.87 H new ATOM 0 HD12 LEU B 8 -10.724 0.273 -3.565 1.00 2.87 H new ATOM 0 HD13 LEU B 8 -9.020 0.783 -3.508 1.00 2.87 H new ATOM 0 HD21 LEU B 8 -9.186 2.633 -5.960 1.00 3.45 H new ATOM 0 HD22 LEU B 8 -7.871 1.463 -5.696 1.00 3.45 H new ATOM 0 HD23 LEU B 8 -8.815 1.415 -7.204 1.00 3.45 H new ATOM 1379 N THR B 9 -12.052 -2.505 -6.740 1.00 1.49 N ATOM 1380 CA THR B 9 -13.358 -2.442 -7.378 1.00 1.52 C ATOM 1381 C THR B 9 -14.424 -3.159 -6.547 1.00 1.33 C ATOM 1382 O THR B 9 -15.592 -3.220 -6.936 1.00 1.63 O ATOM 1383 CB THR B 9 -13.310 -3.055 -8.788 1.00 1.73 C ATOM 1384 OG1 THR B 9 -12.180 -3.934 -8.897 1.00 1.99 O ATOM 1385 CG2 THR B 9 -13.208 -1.968 -9.844 1.00 1.90 C ATOM 0 H THR B 9 -11.422 -3.203 -7.134 1.00 1.49 H new ATOM 0 HA THR B 9 -13.627 -1.388 -7.453 1.00 1.52 H new ATOM 0 HB THR B 9 -14.230 -3.616 -8.951 1.00 1.73 H new ATOM 0 HG1 THR B 9 -12.154 -4.324 -9.796 1.00 1.99 H new ATOM 0 HG21 THR B 9 -13.175 -2.424 -10.834 1.00 1.90 H new ATOM 0 HG22 THR B 9 -14.075 -1.312 -9.775 1.00 1.90 H new ATOM 0 HG23 THR B 9 -12.300 -1.387 -9.682 1.00 1.90 H new ATOM 1393 N GLY B 10 -14.018 -3.699 -5.403 1.00 0.95 N ATOM 1394 CA GLY B 10 -14.946 -4.400 -4.541 1.00 0.85 C ATOM 1395 C GLY B 10 -15.043 -5.867 -4.894 1.00 0.94 C ATOM 1396 O GLY B 10 -15.720 -6.639 -4.213 1.00 1.62 O ATOM 0 H GLY B 10 -13.059 -3.662 -5.058 1.00 0.95 H new ATOM 0 HA2 GLY B 10 -14.628 -4.296 -3.504 1.00 0.85 H new ATOM 0 HA3 GLY B 10 -15.932 -3.942 -4.619 1.00 0.85 H new ATOM 1400 N LYS B 11 -14.354 -6.247 -5.959 1.00 0.95 N ATOM 1401 CA LYS B 11 -14.355 -7.622 -6.425 1.00 0.97 C ATOM 1402 C LYS B 11 -13.494 -8.490 -5.516 1.00 0.86 C ATOM 1403 O LYS B 11 -12.542 -8.008 -4.902 1.00 0.85 O ATOM 1404 CB LYS B 11 -13.841 -7.688 -7.865 1.00 1.16 C ATOM 1405 CG LYS B 11 -14.070 -9.035 -8.538 1.00 1.35 C ATOM 1406 CD LYS B 11 -13.615 -9.030 -9.987 1.00 1.35 C ATOM 1407 CE LYS B 11 -12.109 -8.855 -10.107 1.00 1.46 C ATOM 1408 NZ LYS B 11 -11.657 -8.882 -11.522 1.00 1.62 N ATOM 0 H LYS B 11 -13.783 -5.615 -6.520 1.00 0.95 H new ATOM 0 HA LYS B 11 -15.377 -8.001 -6.399 1.00 0.97 H new ATOM 0 HB2 LYS B 11 -14.331 -6.911 -8.452 1.00 1.16 H new ATOM 0 HB3 LYS B 11 -12.774 -7.466 -7.871 1.00 1.16 H new ATOM 0 HG2 LYS B 11 -13.532 -9.810 -7.992 1.00 1.35 H new ATOM 0 HG3 LYS B 11 -15.129 -9.289 -8.491 1.00 1.35 H new ATOM 0 HD2 LYS B 11 -13.911 -9.964 -10.464 1.00 1.35 H new ATOM 0 HD3 LYS B 11 -14.118 -8.225 -10.523 1.00 1.35 H new ATOM 0 HE2 LYS B 11 -11.816 -7.909 -9.651 1.00 1.46 H new ATOM 0 HE3 LYS B 11 -11.607 -9.646 -9.551 1.00 1.46 H new ATOM 0 HZ1 LYS B 11 -10.761 -8.361 -11.610 1.00 1.62 H new ATOM 0 HZ2 LYS B 11 -11.515 -9.868 -11.822 1.00 1.62 H new ATOM 0 HZ3 LYS B 11 -12.378 -8.436 -12.125 1.00 1.62 H new ATOM 1422 N THR B 12 -13.835 -9.763 -5.433 1.00 0.80 N ATOM 1423 CA THR B 12 -13.101 -10.701 -4.607 1.00 0.72 C ATOM 1424 C THR B 12 -12.546 -11.827 -5.469 1.00 0.71 C ATOM 1425 O THR B 12 -13.290 -12.490 -6.195 1.00 0.85 O ATOM 1426 CB THR B 12 -14.006 -11.285 -3.512 1.00 0.76 C ATOM 1427 OG1 THR B 12 -15.098 -10.385 -3.259 1.00 0.93 O ATOM 1428 CG2 THR B 12 -13.216 -11.518 -2.232 1.00 0.69 C ATOM 0 H THR B 12 -14.624 -10.173 -5.933 1.00 0.80 H new ATOM 0 HA THR B 12 -12.278 -10.169 -4.131 1.00 0.72 H new ATOM 0 HB THR B 12 -14.398 -12.243 -3.853 1.00 0.76 H new ATOM 0 HG1 THR B 12 -15.676 -10.759 -2.561 1.00 0.93 H new ATOM 0 HG21 THR B 12 -13.874 -11.932 -1.468 1.00 0.69 H new ATOM 0 HG22 THR B 12 -12.403 -12.217 -2.428 1.00 0.69 H new ATOM 0 HG23 THR B 12 -12.804 -10.572 -1.882 1.00 0.69 H new ATOM 1436 N ILE B 13 -11.240 -12.025 -5.406 1.00 0.60 N ATOM 1437 CA ILE B 13 -10.591 -13.058 -6.190 1.00 0.59 C ATOM 1438 C ILE B 13 -10.146 -14.202 -5.292 1.00 0.56 C ATOM 1439 O ILE B 13 -9.611 -13.972 -4.211 1.00 0.55 O ATOM 1440 CB ILE B 13 -9.361 -12.499 -6.940 1.00 0.60 C ATOM 1441 CG1 ILE B 13 -9.698 -11.153 -7.586 1.00 0.65 C ATOM 1442 CG2 ILE B 13 -8.880 -13.490 -7.992 1.00 0.65 C ATOM 1443 CD1 ILE B 13 -8.480 -10.343 -7.971 1.00 0.70 C ATOM 0 H ILE B 13 -10.608 -11.481 -4.818 1.00 0.60 H new ATOM 0 HA ILE B 13 -11.315 -13.422 -6.919 1.00 0.59 H new ATOM 0 HB ILE B 13 -8.557 -12.346 -6.220 1.00 0.60 H new ATOM 0 HG12 ILE B 13 -10.303 -11.328 -8.475 1.00 0.65 H new ATOM 0 HG13 ILE B 13 -10.308 -10.571 -6.895 1.00 0.65 H new ATOM 0 HG21 ILE B 13 -8.013 -13.079 -8.510 1.00 0.65 H new ATOM 0 HG22 ILE B 13 -8.604 -14.427 -7.509 1.00 0.65 H new ATOM 0 HG23 ILE B 13 -9.679 -13.674 -8.711 1.00 0.65 H new ATOM 0 HD11 ILE B 13 -8.796 -9.403 -8.423 1.00 0.70 H new ATOM 0 HD12 ILE B 13 -7.884 -10.136 -7.082 1.00 0.70 H new ATOM 0 HD13 ILE B 13 -7.880 -10.905 -8.687 1.00 0.70 H new ATOM 1455 N THR B 14 -10.377 -15.424 -5.735 1.00 0.57 N ATOM 1456 CA THR B 14 -9.984 -16.598 -4.976 1.00 0.57 C ATOM 1457 C THR B 14 -8.765 -17.237 -5.630 1.00 0.55 C ATOM 1458 O THR B 14 -8.800 -17.572 -6.815 1.00 0.64 O ATOM 1459 CB THR B 14 -11.134 -17.622 -4.906 1.00 0.69 C ATOM 1460 OG1 THR B 14 -12.381 -16.937 -4.707 1.00 0.92 O ATOM 1461 CG2 THR B 14 -10.911 -18.620 -3.776 1.00 1.13 C ATOM 0 H THR B 14 -10.837 -15.630 -6.621 1.00 0.57 H new ATOM 0 HA THR B 14 -9.741 -16.289 -3.959 1.00 0.57 H new ATOM 0 HB THR B 14 -11.161 -18.171 -5.847 1.00 0.69 H new ATOM 0 HG1 THR B 14 -13.110 -17.591 -4.664 1.00 0.92 H new ATOM 0 HG21 THR B 14 -11.737 -19.330 -3.750 1.00 1.13 H new ATOM 0 HG22 THR B 14 -9.977 -19.156 -3.943 1.00 1.13 H new ATOM 0 HG23 THR B 14 -10.859 -18.088 -2.826 1.00 1.13 H new ATOM 1469 N LEU B 15 -7.687 -17.388 -4.875 1.00 0.50 N ATOM 1470 CA LEU B 15 -6.465 -17.973 -5.413 1.00 0.54 C ATOM 1471 C LEU B 15 -5.958 -19.089 -4.515 1.00 0.53 C ATOM 1472 O LEU B 15 -6.126 -19.042 -3.296 1.00 0.54 O ATOM 1473 CB LEU B 15 -5.379 -16.903 -5.561 1.00 0.60 C ATOM 1474 CG LEU B 15 -5.703 -15.766 -6.531 1.00 0.78 C ATOM 1475 CD1 LEU B 15 -4.660 -14.668 -6.428 1.00 1.42 C ATOM 1476 CD2 LEU B 15 -5.786 -16.283 -7.957 1.00 0.72 C ATOM 0 H LEU B 15 -7.632 -17.116 -3.894 1.00 0.50 H new ATOM 0 HA LEU B 15 -6.697 -18.388 -6.394 1.00 0.54 H new ATOM 0 HB2 LEU B 15 -5.180 -16.474 -4.579 1.00 0.60 H new ATOM 0 HB3 LEU B 15 -4.459 -17.387 -5.890 1.00 0.60 H new ATOM 0 HG LEU B 15 -6.674 -15.352 -6.259 1.00 0.78 H new ATOM 0 HD11 LEU B 15 -4.905 -13.867 -7.125 1.00 1.42 H new ATOM 0 HD12 LEU B 15 -4.646 -14.274 -5.412 1.00 1.42 H new ATOM 0 HD13 LEU B 15 -3.679 -15.074 -6.673 1.00 1.42 H new ATOM 0 HD21 LEU B 15 -6.017 -15.458 -8.630 1.00 0.72 H new ATOM 0 HD22 LEU B 15 -4.831 -16.725 -8.240 1.00 0.72 H new ATOM 0 HD23 LEU B 15 -6.570 -17.038 -8.025 1.00 0.72 H new ATOM 1488 N GLU B 16 -5.343 -20.090 -5.124 1.00 0.55 N ATOM 1489 CA GLU B 16 -4.803 -21.216 -4.382 1.00 0.55 C ATOM 1490 C GLU B 16 -3.313 -21.021 -4.139 1.00 0.53 C ATOM 1491 O GLU B 16 -2.515 -20.976 -5.076 1.00 0.54 O ATOM 1492 CB GLU B 16 -5.056 -22.520 -5.135 1.00 0.62 C ATOM 1493 CG GLU B 16 -4.638 -23.755 -4.360 1.00 1.06 C ATOM 1494 CD GLU B 16 -5.209 -25.023 -4.946 1.00 1.22 C ATOM 1495 OE1 GLU B 16 -4.787 -25.410 -6.056 1.00 1.68 O ATOM 1496 OE2 GLU B 16 -6.084 -25.637 -4.301 1.00 1.71 O ATOM 0 H GLU B 16 -5.205 -20.145 -6.133 1.00 0.55 H new ATOM 0 HA GLU B 16 -5.307 -21.272 -3.417 1.00 0.55 H new ATOM 0 HB2 GLU B 16 -6.117 -22.592 -5.375 1.00 0.62 H new ATOM 0 HB3 GLU B 16 -4.516 -22.495 -6.082 1.00 0.62 H new ATOM 0 HG2 GLU B 16 -3.550 -23.822 -4.347 1.00 1.06 H new ATOM 0 HG3 GLU B 16 -4.963 -23.658 -3.324 1.00 1.06 H new ATOM 1503 N VAL B 17 -2.950 -20.903 -2.878 1.00 0.54 N ATOM 1504 CA VAL B 17 -1.568 -20.699 -2.491 1.00 0.54 C ATOM 1505 C VAL B 17 -1.192 -21.592 -1.320 1.00 0.56 C ATOM 1506 O VAL B 17 -2.055 -22.177 -0.667 1.00 0.57 O ATOM 1507 CB VAL B 17 -1.299 -19.232 -2.097 1.00 0.57 C ATOM 1508 CG1 VAL B 17 -1.274 -18.336 -3.322 1.00 0.62 C ATOM 1509 CG2 VAL B 17 -2.342 -18.745 -1.099 1.00 0.58 C ATOM 0 H VAL B 17 -3.602 -20.946 -2.095 1.00 0.54 H new ATOM 0 HA VAL B 17 -0.960 -20.954 -3.359 1.00 0.54 H new ATOM 0 HB VAL B 17 -0.319 -19.184 -1.623 1.00 0.57 H new ATOM 0 HG11 VAL B 17 -1.083 -17.307 -3.017 1.00 0.62 H new ATOM 0 HG12 VAL B 17 -0.486 -18.666 -3.998 1.00 0.62 H new ATOM 0 HG13 VAL B 17 -2.236 -18.390 -3.832 1.00 0.62 H new ATOM 0 HG21 VAL B 17 -2.135 -17.708 -0.833 1.00 0.58 H new ATOM 0 HG22 VAL B 17 -3.334 -18.814 -1.546 1.00 0.58 H new ATOM 0 HG23 VAL B 17 -2.304 -19.364 -0.202 1.00 0.58 H new ATOM 1519 N GLU B 18 0.098 -21.710 -1.077 1.00 0.59 N ATOM 1520 CA GLU B 18 0.603 -22.496 0.031 1.00 0.65 C ATOM 1521 C GLU B 18 1.288 -21.572 1.025 1.00 0.68 C ATOM 1522 O GLU B 18 1.810 -20.533 0.636 1.00 0.70 O ATOM 1523 CB GLU B 18 1.582 -23.556 -0.473 1.00 0.73 C ATOM 1524 CG GLU B 18 0.902 -24.841 -0.906 1.00 1.05 C ATOM 1525 CD GLU B 18 0.039 -25.433 0.189 1.00 1.91 C ATOM 1526 OE1 GLU B 18 0.577 -26.158 1.053 1.00 2.71 O ATOM 1527 OE2 GLU B 18 -1.182 -25.172 0.196 1.00 2.32 O ATOM 0 H GLU B 18 0.823 -21.266 -1.640 1.00 0.59 H new ATOM 0 HA GLU B 18 -0.226 -23.006 0.522 1.00 0.65 H new ATOM 0 HB2 GLU B 18 2.146 -23.150 -1.313 1.00 0.73 H new ATOM 0 HB3 GLU B 18 2.301 -23.781 0.315 1.00 0.73 H new ATOM 0 HG2 GLU B 18 0.287 -24.646 -1.784 1.00 1.05 H new ATOM 0 HG3 GLU B 18 1.659 -25.568 -1.202 1.00 1.05 H new ATOM 1534 N PRO B 19 1.285 -21.920 2.320 1.00 0.79 N ATOM 1535 CA PRO B 19 1.915 -21.101 3.360 1.00 0.90 C ATOM 1536 C PRO B 19 3.379 -20.788 3.049 1.00 0.88 C ATOM 1537 O PRO B 19 3.853 -19.676 3.292 1.00 0.99 O ATOM 1538 CB PRO B 19 1.804 -21.962 4.630 1.00 1.03 C ATOM 1539 CG PRO B 19 1.426 -23.327 4.156 1.00 1.09 C ATOM 1540 CD PRO B 19 0.666 -23.129 2.880 1.00 0.88 C ATOM 0 HA PRO B 19 1.430 -20.129 3.453 1.00 0.90 H new ATOM 0 HB2 PRO B 19 2.749 -21.983 5.173 1.00 1.03 H new ATOM 0 HB3 PRO B 19 1.053 -21.561 5.311 1.00 1.03 H new ATOM 0 HG2 PRO B 19 2.311 -23.941 3.991 1.00 1.09 H new ATOM 0 HG3 PRO B 19 0.815 -23.842 4.898 1.00 1.09 H new ATOM 0 HD2 PRO B 19 0.768 -23.983 2.211 1.00 0.88 H new ATOM 0 HD3 PRO B 19 -0.400 -22.992 3.061 1.00 0.88 H new ATOM 1548 N SER B 20 4.082 -21.762 2.483 1.00 0.82 N ATOM 1549 CA SER B 20 5.490 -21.606 2.147 1.00 0.88 C ATOM 1550 C SER B 20 5.706 -20.784 0.869 1.00 0.86 C ATOM 1551 O SER B 20 6.843 -20.609 0.429 1.00 0.90 O ATOM 1552 CB SER B 20 6.121 -22.990 1.996 1.00 0.92 C ATOM 1553 OG SER B 20 5.331 -23.978 2.645 1.00 0.87 O ATOM 0 H SER B 20 3.695 -22.675 2.246 1.00 0.82 H new ATOM 0 HA SER B 20 5.968 -21.055 2.957 1.00 0.88 H new ATOM 0 HB2 SER B 20 6.222 -23.235 0.939 1.00 0.92 H new ATOM 0 HB3 SER B 20 7.125 -22.985 2.419 1.00 0.92 H new ATOM 0 HG SER B 20 5.751 -24.857 2.535 1.00 0.87 H new ATOM 1559 N ASP B 21 4.627 -20.289 0.264 1.00 0.81 N ATOM 1560 CA ASP B 21 4.749 -19.481 -0.949 1.00 0.80 C ATOM 1561 C ASP B 21 5.215 -18.074 -0.582 1.00 0.82 C ATOM 1562 O ASP B 21 5.143 -17.677 0.581 1.00 0.83 O ATOM 1563 CB ASP B 21 3.415 -19.421 -1.711 1.00 0.75 C ATOM 1564 CG ASP B 21 3.598 -19.250 -3.211 1.00 0.91 C ATOM 1565 OD1 ASP B 21 4.730 -18.960 -3.649 1.00 1.10 O ATOM 1566 OD2 ASP B 21 2.606 -19.415 -3.961 1.00 1.08 O ATOM 0 H ASP B 21 3.670 -20.430 0.588 1.00 0.81 H new ATOM 0 HA ASP B 21 5.486 -19.946 -1.604 1.00 0.80 H new ATOM 0 HB2 ASP B 21 2.852 -20.335 -1.521 1.00 0.75 H new ATOM 0 HB3 ASP B 21 2.819 -18.593 -1.326 1.00 0.75 H new ATOM 1571 N THR B 22 5.666 -17.316 -1.567 1.00 0.85 N ATOM 1572 CA THR B 22 6.159 -15.970 -1.324 1.00 0.89 C ATOM 1573 C THR B 22 5.192 -14.938 -1.875 1.00 0.79 C ATOM 1574 O THR B 22 4.473 -15.209 -2.837 1.00 0.73 O ATOM 1575 CB THR B 22 7.541 -15.760 -1.971 1.00 1.01 C ATOM 1576 OG1 THR B 22 7.766 -16.767 -2.964 1.00 1.11 O ATOM 1577 CG2 THR B 22 8.645 -15.814 -0.926 1.00 1.20 C ATOM 0 H THR B 22 5.701 -17.609 -2.543 1.00 0.85 H new ATOM 0 HA THR B 22 6.249 -15.846 -0.245 1.00 0.89 H new ATOM 0 HB THR B 22 7.557 -14.775 -2.437 1.00 1.01 H new ATOM 0 HG1 THR B 22 8.645 -16.630 -3.375 1.00 1.11 H new ATOM 0 HG21 THR B 22 9.611 -15.663 -1.409 1.00 1.20 H new ATOM 0 HG22 THR B 22 8.483 -15.031 -0.185 1.00 1.20 H new ATOM 0 HG23 THR B 22 8.633 -16.787 -0.434 1.00 1.20 H new ATOM 1585 N ILE B 23 5.180 -13.757 -1.268 1.00 0.80 N ATOM 1586 CA ILE B 23 4.298 -12.678 -1.706 1.00 0.73 C ATOM 1587 C ILE B 23 4.571 -12.322 -3.167 1.00 0.72 C ATOM 1588 O ILE B 23 3.649 -12.028 -3.931 1.00 0.66 O ATOM 1589 CB ILE B 23 4.462 -11.425 -0.819 1.00 0.78 C ATOM 1590 CG1 ILE B 23 4.270 -11.797 0.658 1.00 0.87 C ATOM 1591 CG2 ILE B 23 3.482 -10.330 -1.228 1.00 0.70 C ATOM 1592 CD1 ILE B 23 2.972 -12.525 0.946 1.00 0.80 C ATOM 0 H ILE B 23 5.771 -13.521 -0.471 1.00 0.80 H new ATOM 0 HA ILE B 23 3.271 -13.031 -1.612 1.00 0.73 H new ATOM 0 HB ILE B 23 5.471 -11.037 -0.957 1.00 0.78 H new ATOM 0 HG12 ILE B 23 5.104 -12.423 0.976 1.00 0.87 H new ATOM 0 HG13 ILE B 23 4.306 -10.888 1.259 1.00 0.87 H new ATOM 0 HG21 ILE B 23 3.620 -9.460 -0.586 1.00 0.70 H new ATOM 0 HG22 ILE B 23 3.663 -10.048 -2.265 1.00 0.70 H new ATOM 0 HG23 ILE B 23 2.461 -10.698 -1.125 1.00 0.70 H new ATOM 0 HD11 ILE B 23 2.911 -12.753 2.010 1.00 0.80 H new ATOM 0 HD12 ILE B 23 2.130 -11.894 0.661 1.00 0.80 H new ATOM 0 HD13 ILE B 23 2.940 -13.452 0.374 1.00 0.80 H new ATOM 1604 N GLU B 24 5.842 -12.377 -3.552 1.00 0.80 N ATOM 1605 CA GLU B 24 6.246 -12.086 -4.921 1.00 0.84 C ATOM 1606 C GLU B 24 5.587 -13.072 -5.884 1.00 0.80 C ATOM 1607 O GLU B 24 5.114 -12.694 -6.957 1.00 0.80 O ATOM 1608 CB GLU B 24 7.771 -12.160 -5.044 1.00 0.98 C ATOM 1609 CG GLU B 24 8.304 -11.750 -6.409 1.00 1.20 C ATOM 1610 CD GLU B 24 7.899 -10.344 -6.802 1.00 2.26 C ATOM 1611 OE1 GLU B 24 7.956 -9.440 -5.944 1.00 3.05 O ATOM 1612 OE2 GLU B 24 7.532 -10.130 -7.976 1.00 2.73 O ATOM 0 H GLU B 24 6.613 -12.622 -2.931 1.00 0.80 H new ATOM 0 HA GLU B 24 5.922 -11.078 -5.180 1.00 0.84 H new ATOM 0 HB2 GLU B 24 8.218 -11.519 -4.284 1.00 0.98 H new ATOM 0 HB3 GLU B 24 8.093 -13.179 -4.831 1.00 0.98 H new ATOM 0 HG2 GLU B 24 9.392 -11.822 -6.405 1.00 1.20 H new ATOM 0 HG3 GLU B 24 7.941 -12.451 -7.161 1.00 1.20 H new ATOM 1619 N ASN B 25 5.535 -14.335 -5.471 1.00 0.80 N ATOM 1620 CA ASN B 25 4.934 -15.384 -6.284 1.00 0.79 C ATOM 1621 C ASN B 25 3.415 -15.244 -6.289 1.00 0.71 C ATOM 1622 O ASN B 25 2.758 -15.522 -7.292 1.00 0.72 O ATOM 1623 CB ASN B 25 5.336 -16.761 -5.756 1.00 0.80 C ATOM 1624 CG ASN B 25 5.205 -17.850 -6.804 1.00 0.84 C ATOM 1625 OD1 ASN B 25 5.453 -17.623 -7.988 1.00 1.06 O ATOM 1626 ND2 ASN B 25 4.823 -19.041 -6.372 1.00 1.12 N ATOM 0 H ASN B 25 5.903 -14.656 -4.576 1.00 0.80 H new ATOM 0 HA ASN B 25 5.298 -15.283 -7.307 1.00 0.79 H new ATOM 0 HB2 ASN B 25 6.367 -16.724 -5.403 1.00 0.80 H new ATOM 0 HB3 ASN B 25 4.714 -17.012 -4.897 1.00 0.80 H new ATOM 0 HD21 ASN B 25 4.724 -19.814 -7.030 1.00 1.12 H new ATOM 0 HD22 ASN B 25 4.627 -19.186 -5.381 1.00 1.12 H new ATOM 1633 N VAL B 26 2.860 -14.809 -5.159 1.00 0.67 N ATOM 1634 CA VAL B 26 1.420 -14.611 -5.038 1.00 0.60 C ATOM 1635 C VAL B 26 0.970 -13.497 -5.979 1.00 0.58 C ATOM 1636 O VAL B 26 -0.068 -13.600 -6.633 1.00 0.58 O ATOM 1637 CB VAL B 26 1.005 -14.266 -3.588 1.00 0.58 C ATOM 1638 CG1 VAL B 26 -0.485 -13.954 -3.503 1.00 0.53 C ATOM 1639 CG2 VAL B 26 1.359 -15.404 -2.642 1.00 0.62 C ATOM 0 H VAL B 26 3.388 -14.587 -4.315 1.00 0.67 H new ATOM 0 HA VAL B 26 0.934 -15.548 -5.310 1.00 0.60 H new ATOM 0 HB VAL B 26 1.558 -13.376 -3.286 1.00 0.58 H new ATOM 0 HG11 VAL B 26 -0.749 -13.715 -2.473 1.00 0.53 H new ATOM 0 HG12 VAL B 26 -0.716 -13.103 -4.143 1.00 0.53 H new ATOM 0 HG13 VAL B 26 -1.058 -14.821 -3.832 1.00 0.53 H new ATOM 0 HG21 VAL B 26 1.059 -15.141 -1.628 1.00 0.62 H new ATOM 0 HG22 VAL B 26 0.838 -16.310 -2.951 1.00 0.62 H new ATOM 0 HG23 VAL B 26 2.435 -15.578 -2.668 1.00 0.62 H new ATOM 1649 N LYS B 27 1.777 -12.441 -6.057 1.00 0.60 N ATOM 1650 CA LYS B 27 1.484 -11.312 -6.934 1.00 0.60 C ATOM 1651 C LYS B 27 1.443 -11.777 -8.385 1.00 0.62 C ATOM 1652 O LYS B 27 0.621 -11.319 -9.176 1.00 0.61 O ATOM 1653 CB LYS B 27 2.537 -10.211 -6.778 1.00 0.64 C ATOM 1654 CG LYS B 27 2.400 -9.395 -5.500 1.00 0.59 C ATOM 1655 CD LYS B 27 3.429 -8.272 -5.436 1.00 0.66 C ATOM 1656 CE LYS B 27 4.847 -8.816 -5.497 1.00 0.96 C ATOM 1657 NZ LYS B 27 5.875 -7.748 -5.380 1.00 0.99 N ATOM 0 H LYS B 27 2.640 -12.345 -5.522 1.00 0.60 H new ATOM 0 HA LYS B 27 0.512 -10.906 -6.653 1.00 0.60 H new ATOM 0 HB2 LYS B 27 3.528 -10.665 -6.802 1.00 0.64 H new ATOM 0 HB3 LYS B 27 2.474 -9.539 -7.634 1.00 0.64 H new ATOM 0 HG2 LYS B 27 1.397 -8.973 -5.443 1.00 0.59 H new ATOM 0 HG3 LYS B 27 2.520 -10.049 -4.636 1.00 0.59 H new ATOM 0 HD2 LYS B 27 3.267 -7.580 -6.263 1.00 0.66 H new ATOM 0 HD3 LYS B 27 3.294 -7.705 -4.515 1.00 0.66 H new ATOM 0 HE2 LYS B 27 4.989 -9.541 -4.695 1.00 0.96 H new ATOM 0 HE3 LYS B 27 4.988 -9.349 -6.437 1.00 0.96 H new ATOM 0 HZ1 LYS B 27 6.799 -8.121 -5.677 1.00 0.99 H new ATOM 0 HZ2 LYS B 27 5.614 -6.946 -5.989 1.00 0.99 H new ATOM 0 HZ3 LYS B 27 5.932 -7.428 -4.392 1.00 0.99 H new ATOM 1671 N ALA B 28 2.338 -12.696 -8.721 1.00 0.67 N ATOM 1672 CA ALA B 28 2.411 -13.238 -10.068 1.00 0.73 C ATOM 1673 C ALA B 28 1.133 -13.989 -10.413 1.00 0.71 C ATOM 1674 O ALA B 28 0.662 -13.946 -11.552 1.00 0.74 O ATOM 1675 CB ALA B 28 3.621 -14.146 -10.203 1.00 0.81 C ATOM 0 H ALA B 28 3.026 -13.082 -8.075 1.00 0.67 H new ATOM 0 HA ALA B 28 2.518 -12.412 -10.771 1.00 0.73 H new ATOM 0 HB1 ALA B 28 3.665 -14.546 -11.216 1.00 0.81 H new ATOM 0 HB2 ALA B 28 4.528 -13.577 -9.998 1.00 0.81 H new ATOM 0 HB3 ALA B 28 3.540 -14.968 -9.492 1.00 0.81 H new ATOM 1681 N LYS B 29 0.568 -14.665 -9.416 1.00 0.68 N ATOM 1682 CA LYS B 29 -0.665 -15.421 -9.597 1.00 0.70 C ATOM 1683 C LYS B 29 -1.810 -14.478 -9.951 1.00 0.70 C ATOM 1684 O LYS B 29 -2.606 -14.763 -10.845 1.00 0.76 O ATOM 1685 CB LYS B 29 -1.004 -16.214 -8.331 1.00 0.69 C ATOM 1686 CG LYS B 29 -0.060 -17.379 -8.073 1.00 0.74 C ATOM 1687 CD LYS B 29 -0.398 -18.095 -6.776 1.00 0.77 C ATOM 1688 CE LYS B 29 0.234 -19.479 -6.714 1.00 0.84 C ATOM 1689 NZ LYS B 29 1.711 -19.423 -6.528 1.00 1.26 N ATOM 0 H LYS B 29 0.948 -14.704 -8.470 1.00 0.68 H new ATOM 0 HA LYS B 29 -0.521 -16.126 -10.415 1.00 0.70 H new ATOM 0 HB2 LYS B 29 -0.981 -15.541 -7.474 1.00 0.69 H new ATOM 0 HB3 LYS B 29 -2.023 -16.593 -8.411 1.00 0.69 H new ATOM 0 HG2 LYS B 29 -0.115 -18.083 -8.903 1.00 0.74 H new ATOM 0 HG3 LYS B 29 0.966 -17.014 -8.031 1.00 0.74 H new ATOM 0 HD2 LYS B 29 -0.053 -17.499 -5.931 1.00 0.77 H new ATOM 0 HD3 LYS B 29 -1.480 -18.185 -6.681 1.00 0.77 H new ATOM 0 HE2 LYS B 29 -0.211 -20.042 -5.894 1.00 0.84 H new ATOM 0 HE3 LYS B 29 0.007 -20.020 -7.632 1.00 0.84 H new ATOM 0 HZ1 LYS B 29 2.169 -20.082 -7.190 1.00 1.26 H new ATOM 0 HZ2 LYS B 29 2.048 -18.456 -6.713 1.00 1.26 H new ATOM 0 HZ3 LYS B 29 1.948 -19.692 -5.552 1.00 1.26 H new ATOM 1703 N ILE B 30 -1.886 -13.356 -9.242 1.00 0.65 N ATOM 1704 CA ILE B 30 -2.914 -12.357 -9.504 1.00 0.67 C ATOM 1705 C ILE B 30 -2.726 -11.784 -10.905 1.00 0.70 C ATOM 1706 O ILE B 30 -3.691 -11.542 -11.630 1.00 0.72 O ATOM 1707 CB ILE B 30 -2.875 -11.202 -8.475 1.00 0.63 C ATOM 1708 CG1 ILE B 30 -2.706 -11.750 -7.055 1.00 0.69 C ATOM 1709 CG2 ILE B 30 -4.144 -10.368 -8.575 1.00 0.67 C ATOM 1710 CD1 ILE B 30 -2.459 -10.682 -6.012 1.00 0.67 C ATOM 0 H ILE B 30 -1.248 -13.117 -8.483 1.00 0.65 H new ATOM 0 HA ILE B 30 -3.882 -12.852 -9.420 1.00 0.67 H new ATOM 0 HB ILE B 30 -2.019 -10.566 -8.700 1.00 0.63 H new ATOM 0 HG12 ILE B 30 -3.601 -12.310 -6.783 1.00 0.69 H new ATOM 0 HG13 ILE B 30 -1.874 -12.454 -7.044 1.00 0.69 H new ATOM 0 HG21 ILE B 30 -4.106 -9.558 -7.846 1.00 0.67 H new ATOM 0 HG22 ILE B 30 -4.226 -9.950 -9.578 1.00 0.67 H new ATOM 0 HG23 ILE B 30 -5.010 -10.998 -8.372 1.00 0.67 H new ATOM 0 HD11 ILE B 30 -2.350 -11.148 -5.033 1.00 0.67 H new ATOM 0 HD12 ILE B 30 -1.548 -10.137 -6.258 1.00 0.67 H new ATOM 0 HD13 ILE B 30 -3.301 -9.990 -5.993 1.00 0.67 H new ATOM 1722 N GLN B 31 -1.466 -11.606 -11.284 1.00 0.74 N ATOM 1723 CA GLN B 31 -1.111 -11.077 -12.597 1.00 0.80 C ATOM 1724 C GLN B 31 -1.580 -12.023 -13.701 1.00 0.88 C ATOM 1725 O GLN B 31 -2.041 -11.591 -14.754 1.00 0.90 O ATOM 1726 CB GLN B 31 0.406 -10.883 -12.693 1.00 0.83 C ATOM 1727 CG GLN B 31 0.863 -10.285 -14.015 1.00 0.92 C ATOM 1728 CD GLN B 31 2.363 -10.393 -14.222 1.00 0.95 C ATOM 1729 OE1 GLN B 31 2.987 -9.495 -14.786 1.00 1.10 O ATOM 1730 NE2 GLN B 31 2.952 -11.499 -13.785 1.00 1.26 N ATOM 0 H GLN B 31 -0.664 -11.823 -10.693 1.00 0.74 H new ATOM 0 HA GLN B 31 -1.606 -10.114 -12.726 1.00 0.80 H new ATOM 0 HB2 GLN B 31 0.733 -10.236 -11.879 1.00 0.83 H new ATOM 0 HB3 GLN B 31 0.896 -11.846 -12.551 1.00 0.83 H new ATOM 0 HG2 GLN B 31 0.351 -10.790 -14.834 1.00 0.92 H new ATOM 0 HG3 GLN B 31 0.570 -9.236 -14.055 1.00 0.92 H new ATOM 0 HE21 GLN B 31 2.401 -12.222 -13.322 1.00 1.26 H new ATOM 0 HE22 GLN B 31 3.956 -11.627 -13.912 1.00 1.26 H new ATOM 1739 N ASP B 32 -1.452 -13.318 -13.446 1.00 0.95 N ATOM 1740 CA ASP B 32 -1.861 -14.343 -14.406 1.00 1.04 C ATOM 1741 C ASP B 32 -3.354 -14.276 -14.722 1.00 1.07 C ATOM 1742 O ASP B 32 -3.794 -14.760 -15.766 1.00 1.20 O ATOM 1743 CB ASP B 32 -1.507 -15.736 -13.883 1.00 1.03 C ATOM 1744 CG ASP B 32 -0.152 -16.208 -14.371 1.00 1.52 C ATOM 1745 OD1 ASP B 32 0.064 -16.238 -15.603 1.00 1.80 O ATOM 1746 OD2 ASP B 32 0.703 -16.555 -13.528 1.00 2.04 O ATOM 0 H ASP B 32 -1.066 -13.689 -12.578 1.00 0.95 H new ATOM 0 HA ASP B 32 -1.316 -14.149 -15.330 1.00 1.04 H new ATOM 0 HB2 ASP B 32 -1.514 -15.725 -12.793 1.00 1.03 H new ATOM 0 HB3 ASP B 32 -2.272 -16.445 -14.199 1.00 1.03 H new ATOM 1751 N LYS B 33 -4.130 -13.685 -13.823 1.00 0.98 N ATOM 1752 CA LYS B 33 -5.572 -13.574 -14.027 1.00 1.04 C ATOM 1753 C LYS B 33 -6.016 -12.133 -14.304 1.00 1.03 C ATOM 1754 O LYS B 33 -6.690 -11.869 -15.298 1.00 1.08 O ATOM 1755 CB LYS B 33 -6.323 -14.132 -12.814 1.00 0.98 C ATOM 1756 CG LYS B 33 -6.243 -15.647 -12.695 1.00 1.28 C ATOM 1757 CD LYS B 33 -7.052 -16.155 -11.512 1.00 1.27 C ATOM 1758 CE LYS B 33 -6.912 -17.661 -11.336 1.00 1.92 C ATOM 1759 NZ LYS B 33 -7.599 -18.418 -12.417 1.00 2.27 N ATOM 0 H LYS B 33 -3.791 -13.277 -12.952 1.00 0.98 H new ATOM 0 HA LYS B 33 -5.816 -14.163 -14.911 1.00 1.04 H new ATOM 0 HB2 LYS B 33 -5.918 -13.682 -11.907 1.00 0.98 H new ATOM 0 HB3 LYS B 33 -7.370 -13.835 -12.877 1.00 0.98 H new ATOM 0 HG2 LYS B 33 -6.611 -16.105 -13.613 1.00 1.28 H new ATOM 0 HG3 LYS B 33 -5.202 -15.950 -12.583 1.00 1.28 H new ATOM 0 HD2 LYS B 33 -6.723 -15.651 -10.603 1.00 1.27 H new ATOM 0 HD3 LYS B 33 -8.103 -15.902 -11.655 1.00 1.27 H new ATOM 0 HE2 LYS B 33 -5.855 -17.927 -11.323 1.00 1.92 H new ATOM 0 HE3 LYS B 33 -7.326 -17.953 -10.371 1.00 1.92 H new ATOM 0 HZ1 LYS B 33 -7.507 -19.438 -12.239 1.00 2.27 H new ATOM 0 HZ2 LYS B 33 -8.606 -18.159 -12.436 1.00 2.27 H new ATOM 0 HZ3 LYS B 33 -7.165 -18.186 -13.333 1.00 2.27 H new ATOM 1773 N GLU B 34 -5.636 -11.210 -13.432 1.00 0.99 N ATOM 1774 CA GLU B 34 -6.030 -9.806 -13.576 1.00 0.98 C ATOM 1775 C GLU B 34 -5.131 -9.042 -14.551 1.00 0.99 C ATOM 1776 O GLU B 34 -5.514 -7.991 -15.059 1.00 0.99 O ATOM 1777 CB GLU B 34 -6.031 -9.113 -12.212 1.00 0.91 C ATOM 1778 CG GLU B 34 -7.080 -9.650 -11.252 1.00 0.92 C ATOM 1779 CD GLU B 34 -8.495 -9.466 -11.766 1.00 1.10 C ATOM 1780 OE1 GLU B 34 -8.974 -8.313 -11.820 1.00 1.30 O ATOM 1781 OE2 GLU B 34 -9.145 -10.471 -12.117 1.00 1.20 O ATOM 0 H GLU B 34 -5.055 -11.403 -12.616 1.00 0.99 H new ATOM 0 HA GLU B 34 -7.038 -9.799 -13.991 1.00 0.98 H new ATOM 0 HB2 GLU B 34 -5.046 -9.223 -11.758 1.00 0.91 H new ATOM 0 HB3 GLU B 34 -6.197 -8.046 -12.357 1.00 0.91 H new ATOM 0 HG2 GLU B 34 -6.897 -10.710 -11.077 1.00 0.92 H new ATOM 0 HG3 GLU B 34 -6.979 -9.146 -10.291 1.00 0.92 H new ATOM 1788 N GLY B 35 -3.943 -9.568 -14.811 1.00 1.00 N ATOM 1789 CA GLY B 35 -3.021 -8.915 -15.730 1.00 1.02 C ATOM 1790 C GLY B 35 -2.355 -7.679 -15.152 1.00 0.97 C ATOM 1791 O GLY B 35 -1.660 -6.953 -15.866 1.00 1.00 O ATOM 0 H GLY B 35 -3.597 -10.437 -14.403 1.00 1.00 H new ATOM 0 HA2 GLY B 35 -2.251 -9.627 -16.025 1.00 1.02 H new ATOM 0 HA3 GLY B 35 -3.561 -8.636 -16.635 1.00 1.02 H new ATOM 1795 N ILE B 36 -2.561 -7.430 -13.867 1.00 0.89 N ATOM 1796 CA ILE B 36 -1.970 -6.269 -13.214 1.00 0.84 C ATOM 1797 C ILE B 36 -0.481 -6.496 -12.958 1.00 0.83 C ATOM 1798 O ILE B 36 -0.093 -7.540 -12.437 1.00 0.80 O ATOM 1799 CB ILE B 36 -2.677 -5.948 -11.876 1.00 0.79 C ATOM 1800 CG1 ILE B 36 -4.195 -5.984 -12.050 1.00 0.82 C ATOM 1801 CG2 ILE B 36 -2.237 -4.586 -11.352 1.00 0.74 C ATOM 1802 CD1 ILE B 36 -4.956 -5.870 -10.747 1.00 0.81 C ATOM 0 H ILE B 36 -3.132 -8.014 -13.256 1.00 0.89 H new ATOM 0 HA ILE B 36 -2.099 -5.421 -13.886 1.00 0.84 H new ATOM 0 HB ILE B 36 -2.393 -6.708 -11.148 1.00 0.79 H new ATOM 0 HG12 ILE B 36 -4.496 -5.170 -12.710 1.00 0.82 H new ATOM 0 HG13 ILE B 36 -4.474 -6.915 -12.544 1.00 0.82 H new ATOM 0 HG21 ILE B 36 -2.745 -4.377 -10.410 1.00 0.74 H new ATOM 0 HG22 ILE B 36 -1.159 -4.589 -11.190 1.00 0.74 H new ATOM 0 HG23 ILE B 36 -2.492 -3.816 -12.080 1.00 0.74 H new ATOM 0 HD11 ILE B 36 -6.027 -5.903 -10.947 1.00 0.81 H new ATOM 0 HD12 ILE B 36 -4.684 -6.698 -10.093 1.00 0.81 H new ATOM 0 HD13 ILE B 36 -4.706 -4.927 -10.261 1.00 0.81 H new ATOM 1814 N PRO B 37 0.374 -5.534 -13.352 1.00 0.87 N ATOM 1815 CA PRO B 37 1.822 -5.634 -13.143 1.00 0.88 C ATOM 1816 C PRO B 37 2.171 -5.814 -11.666 1.00 0.79 C ATOM 1817 O PRO B 37 1.586 -5.158 -10.805 1.00 0.71 O ATOM 1818 CB PRO B 37 2.360 -4.295 -13.657 1.00 0.96 C ATOM 1819 CG PRO B 37 1.309 -3.785 -14.579 1.00 1.01 C ATOM 1820 CD PRO B 37 0.000 -4.285 -14.036 1.00 0.93 C ATOM 0 HA PRO B 37 2.249 -6.497 -13.654 1.00 0.88 H new ATOM 0 HB2 PRO B 37 2.536 -3.600 -12.836 1.00 0.96 H new ATOM 0 HB3 PRO B 37 3.310 -4.424 -14.175 1.00 0.96 H new ATOM 0 HG2 PRO B 37 1.323 -2.696 -14.621 1.00 1.01 H new ATOM 0 HG3 PRO B 37 1.473 -4.146 -15.594 1.00 1.01 H new ATOM 0 HD2 PRO B 37 -0.451 -3.569 -13.349 1.00 0.93 H new ATOM 0 HD3 PRO B 37 -0.724 -4.463 -14.831 1.00 0.93 H new ATOM 1828 N PRO B 38 3.127 -6.711 -11.358 1.00 0.82 N ATOM 1829 CA PRO B 38 3.554 -6.990 -9.978 1.00 0.76 C ATOM 1830 C PRO B 38 3.934 -5.740 -9.185 1.00 0.72 C ATOM 1831 O PRO B 38 3.719 -5.685 -7.975 1.00 0.67 O ATOM 1832 CB PRO B 38 4.778 -7.892 -10.160 1.00 0.86 C ATOM 1833 CG PRO B 38 4.567 -8.554 -11.475 1.00 0.95 C ATOM 1834 CD PRO B 38 3.852 -7.547 -12.335 1.00 0.93 C ATOM 0 HA PRO B 38 2.744 -7.438 -9.403 1.00 0.76 H new ATOM 0 HB2 PRO B 38 5.701 -7.313 -10.152 1.00 0.86 H new ATOM 0 HB3 PRO B 38 4.854 -8.624 -9.356 1.00 0.86 H new ATOM 0 HG2 PRO B 38 5.517 -8.845 -11.923 1.00 0.95 H new ATOM 0 HG3 PRO B 38 3.975 -9.463 -11.364 1.00 0.95 H new ATOM 0 HD2 PRO B 38 4.551 -6.957 -12.927 1.00 0.93 H new ATOM 0 HD3 PRO B 38 3.170 -8.029 -13.035 1.00 0.93 H new ATOM 1842 N ASP B 39 4.480 -4.736 -9.863 1.00 0.79 N ATOM 1843 CA ASP B 39 4.894 -3.499 -9.197 1.00 0.82 C ATOM 1844 C ASP B 39 3.698 -2.598 -8.892 1.00 0.72 C ATOM 1845 O ASP B 39 3.807 -1.648 -8.114 1.00 0.76 O ATOM 1846 CB ASP B 39 5.922 -2.743 -10.049 1.00 0.97 C ATOM 1847 CG ASP B 39 5.285 -1.796 -11.049 1.00 1.25 C ATOM 1848 OD1 ASP B 39 4.795 -2.265 -12.099 1.00 1.92 O ATOM 1849 OD2 ASP B 39 5.283 -0.572 -10.800 1.00 1.76 O ATOM 0 H ASP B 39 4.647 -4.751 -10.869 1.00 0.79 H new ATOM 0 HA ASP B 39 5.356 -3.777 -8.250 1.00 0.82 H new ATOM 0 HB2 ASP B 39 6.584 -2.178 -9.393 1.00 0.97 H new ATOM 0 HB3 ASP B 39 6.542 -3.463 -10.583 1.00 0.97 H new ATOM 1854 N GLN B 40 2.559 -2.907 -9.494 1.00 0.64 N ATOM 1855 CA GLN B 40 1.348 -2.129 -9.282 1.00 0.59 C ATOM 1856 C GLN B 40 0.424 -2.849 -8.310 1.00 0.52 C ATOM 1857 O GLN B 40 -0.603 -2.313 -7.899 1.00 0.54 O ATOM 1858 CB GLN B 40 0.624 -1.886 -10.608 1.00 0.63 C ATOM 1859 CG GLN B 40 1.383 -0.982 -11.563 1.00 0.74 C ATOM 1860 CD GLN B 40 1.611 0.405 -10.997 1.00 1.26 C ATOM 1861 OE1 GLN B 40 0.755 1.279 -11.109 1.00 1.81 O ATOM 1862 NE2 GLN B 40 2.775 0.621 -10.399 1.00 1.91 N ATOM 0 H GLN B 40 2.448 -3.693 -10.135 1.00 0.64 H new ATOM 0 HA GLN B 40 1.629 -1.165 -8.858 1.00 0.59 H new ATOM 0 HB2 GLN B 40 0.445 -2.845 -11.095 1.00 0.63 H new ATOM 0 HB3 GLN B 40 -0.352 -1.445 -10.403 1.00 0.63 H new ATOM 0 HG2 GLN B 40 2.345 -1.436 -11.800 1.00 0.74 H new ATOM 0 HG3 GLN B 40 0.829 -0.902 -12.499 1.00 0.74 H new ATOM 0 HE21 GLN B 40 3.459 -0.132 -10.327 1.00 1.91 H new ATOM 0 HE22 GLN B 40 2.986 1.540 -10.011 1.00 1.91 H new ATOM 1871 N GLN B 41 0.803 -4.064 -7.947 1.00 0.46 N ATOM 1872 CA GLN B 41 0.018 -4.869 -7.030 1.00 0.42 C ATOM 1873 C GLN B 41 0.576 -4.764 -5.619 1.00 0.46 C ATOM 1874 O GLN B 41 1.628 -5.322 -5.307 1.00 0.69 O ATOM 1875 CB GLN B 41 -0.004 -6.323 -7.491 1.00 0.45 C ATOM 1876 CG GLN B 41 -0.837 -6.545 -8.744 1.00 0.52 C ATOM 1877 CD GLN B 41 -0.771 -7.969 -9.251 1.00 0.59 C ATOM 1878 OE1 GLN B 41 -1.724 -8.479 -9.836 1.00 0.96 O ATOM 1879 NE2 GLN B 41 0.361 -8.620 -9.040 1.00 0.74 N ATOM 0 H GLN B 41 1.656 -4.515 -8.277 1.00 0.46 H new ATOM 0 HA GLN B 41 -1.005 -4.492 -7.023 1.00 0.42 H new ATOM 0 HB2 GLN B 41 1.018 -6.653 -7.679 1.00 0.45 H new ATOM 0 HB3 GLN B 41 -0.397 -6.946 -6.687 1.00 0.45 H new ATOM 0 HG2 GLN B 41 -1.875 -6.287 -8.534 1.00 0.52 H new ATOM 0 HG3 GLN B 41 -0.493 -5.870 -9.527 1.00 0.52 H new ATOM 0 HE21 GLN B 41 1.129 -8.162 -8.550 1.00 0.74 H new ATOM 0 HE22 GLN B 41 0.466 -9.580 -9.367 1.00 0.74 H new ATOM 1888 N ARG B 42 -0.138 -4.044 -4.775 1.00 0.36 N ATOM 1889 CA ARG B 42 0.267 -3.845 -3.394 1.00 0.39 C ATOM 1890 C ARG B 42 -0.701 -4.574 -2.467 1.00 0.37 C ATOM 1891 O ARG B 42 -1.886 -4.255 -2.422 1.00 0.43 O ATOM 1892 CB ARG B 42 0.308 -2.346 -3.088 1.00 0.50 C ATOM 1893 CG ARG B 42 0.491 -2.001 -1.621 1.00 0.95 C ATOM 1894 CD ARG B 42 0.644 -0.501 -1.434 1.00 1.32 C ATOM 1895 NE ARG B 42 -0.004 -0.028 -0.215 1.00 1.97 N ATOM 1896 CZ ARG B 42 -0.086 1.257 0.134 1.00 2.64 C ATOM 1897 NH1 ARG B 42 0.462 2.196 -0.630 1.00 3.02 N ATOM 1898 NH2 ARG B 42 -0.692 1.599 1.259 1.00 3.22 N ATOM 0 H ARG B 42 -1.012 -3.582 -5.025 1.00 0.36 H new ATOM 0 HA ARG B 42 1.264 -4.255 -3.233 1.00 0.39 H new ATOM 0 HB2 ARG B 42 1.121 -1.895 -3.657 1.00 0.50 H new ATOM 0 HB3 ARG B 42 -0.618 -1.892 -3.441 1.00 0.50 H new ATOM 0 HG2 ARG B 42 -0.366 -2.358 -1.049 1.00 0.95 H new ATOM 0 HG3 ARG B 42 1.370 -2.512 -1.230 1.00 0.95 H new ATOM 0 HD2 ARG B 42 1.703 -0.247 -1.402 1.00 1.32 H new ATOM 0 HD3 ARG B 42 0.218 0.016 -2.294 1.00 1.32 H new ATOM 0 HE ARG B 42 -0.419 -0.721 0.407 1.00 1.97 H new ATOM 0 HH11 ARG B 42 0.948 1.936 -1.488 1.00 3.02 H new ATOM 0 HH12 ARG B 42 0.396 3.177 -0.358 1.00 3.02 H new ATOM 0 HH21 ARG B 42 -1.096 0.880 1.859 1.00 3.22 H new ATOM 0 HH22 ARG B 42 -0.755 2.581 1.526 1.00 3.22 H new ATOM 1912 N LEU B 43 -0.197 -5.563 -1.744 1.00 0.38 N ATOM 1913 CA LEU B 43 -1.027 -6.348 -0.841 1.00 0.41 C ATOM 1914 C LEU B 43 -0.908 -5.862 0.600 1.00 0.41 C ATOM 1915 O LEU B 43 0.177 -5.506 1.064 1.00 0.45 O ATOM 1916 CB LEU B 43 -0.641 -7.828 -0.923 1.00 0.46 C ATOM 1917 CG LEU B 43 -0.964 -8.509 -2.255 1.00 0.64 C ATOM 1918 CD1 LEU B 43 -0.240 -9.843 -2.361 1.00 1.33 C ATOM 1919 CD2 LEU B 43 -2.466 -8.708 -2.401 1.00 0.85 C ATOM 0 H LEU B 43 0.784 -5.842 -1.765 1.00 0.38 H new ATOM 0 HA LEU B 43 -2.064 -6.223 -1.153 1.00 0.41 H new ATOM 0 HB2 LEU B 43 0.429 -7.920 -0.736 1.00 0.46 H new ATOM 0 HB3 LEU B 43 -1.152 -8.366 -0.124 1.00 0.46 H new ATOM 0 HG LEU B 43 -0.620 -7.864 -3.063 1.00 0.64 H new ATOM 0 HD11 LEU B 43 -0.481 -10.313 -3.314 1.00 1.33 H new ATOM 0 HD12 LEU B 43 0.836 -9.679 -2.299 1.00 1.33 H new ATOM 0 HD13 LEU B 43 -0.555 -10.494 -1.545 1.00 1.33 H new ATOM 0 HD21 LEU B 43 -2.678 -9.193 -3.354 1.00 0.85 H new ATOM 0 HD22 LEU B 43 -2.831 -9.333 -1.586 1.00 0.85 H new ATOM 0 HD23 LEU B 43 -2.966 -7.740 -2.368 1.00 0.85 H new ATOM 1931 N ILE B 44 -2.040 -5.854 1.295 1.00 0.39 N ATOM 1932 CA ILE B 44 -2.099 -5.431 2.689 1.00 0.43 C ATOM 1933 C ILE B 44 -2.820 -6.495 3.517 1.00 0.45 C ATOM 1934 O ILE B 44 -3.820 -7.064 3.066 1.00 0.47 O ATOM 1935 CB ILE B 44 -2.821 -4.067 2.841 1.00 0.47 C ATOM 1936 CG1 ILE B 44 -2.085 -2.983 2.046 1.00 0.64 C ATOM 1937 CG2 ILE B 44 -2.923 -3.666 4.308 1.00 0.52 C ATOM 1938 CD1 ILE B 44 -2.721 -1.612 2.144 1.00 1.03 C ATOM 0 H ILE B 44 -2.940 -6.140 0.909 1.00 0.39 H new ATOM 0 HA ILE B 44 -1.078 -5.310 3.050 1.00 0.43 H new ATOM 0 HB ILE B 44 -3.831 -4.171 2.444 1.00 0.47 H new ATOM 0 HG12 ILE B 44 -1.056 -2.922 2.401 1.00 0.64 H new ATOM 0 HG13 ILE B 44 -2.044 -3.280 0.998 1.00 0.64 H new ATOM 0 HG21 ILE B 44 -3.433 -2.706 4.388 1.00 0.52 H new ATOM 0 HG22 ILE B 44 -3.486 -4.423 4.854 1.00 0.52 H new ATOM 0 HG23 ILE B 44 -1.923 -3.582 4.733 1.00 0.52 H new ATOM 0 HD11 ILE B 44 -2.143 -0.900 1.555 1.00 1.03 H new ATOM 0 HD12 ILE B 44 -3.741 -1.656 1.762 1.00 1.03 H new ATOM 0 HD13 ILE B 44 -2.738 -1.292 3.186 1.00 1.03 H new ATOM 1950 N PHE B 45 -2.315 -6.754 4.719 1.00 0.48 N ATOM 1951 CA PHE B 45 -2.893 -7.761 5.600 1.00 0.52 C ATOM 1952 C PHE B 45 -2.323 -7.615 7.010 1.00 0.58 C ATOM 1953 O PHE B 45 -1.238 -7.067 7.189 1.00 0.57 O ATOM 1954 CB PHE B 45 -2.604 -9.166 5.057 1.00 0.64 C ATOM 1955 CG PHE B 45 -3.363 -10.265 5.751 1.00 0.72 C ATOM 1956 CD1 PHE B 45 -4.716 -10.441 5.522 1.00 0.92 C ATOM 1957 CD2 PHE B 45 -2.721 -11.120 6.635 1.00 1.19 C ATOM 1958 CE1 PHE B 45 -5.417 -11.447 6.159 1.00 0.99 C ATOM 1959 CE2 PHE B 45 -3.415 -12.128 7.274 1.00 1.31 C ATOM 1960 CZ PHE B 45 -4.766 -12.291 7.037 1.00 0.97 C ATOM 0 H PHE B 45 -1.501 -6.276 5.107 1.00 0.48 H new ATOM 0 HA PHE B 45 -3.972 -7.615 5.640 1.00 0.52 H new ATOM 0 HB2 PHE B 45 -2.845 -9.189 3.994 1.00 0.64 H new ATOM 0 HB3 PHE B 45 -1.536 -9.365 5.146 1.00 0.64 H new ATOM 0 HD1 PHE B 45 -5.231 -9.784 4.837 1.00 0.92 H new ATOM 0 HD2 PHE B 45 -1.665 -10.996 6.826 1.00 1.19 H new ATOM 0 HE1 PHE B 45 -6.473 -11.573 5.970 1.00 0.99 H new ATOM 0 HE2 PHE B 45 -2.902 -12.788 7.958 1.00 1.31 H new ATOM 0 HZ PHE B 45 -5.312 -13.077 7.537 1.00 0.97 H new ATOM 1970 N ALA B 46 -3.066 -8.106 8.002 1.00 0.75 N ATOM 1971 CA ALA B 46 -2.659 -8.055 9.410 1.00 0.94 C ATOM 1972 C ALA B 46 -2.391 -6.631 9.909 1.00 0.87 C ATOM 1973 O ALA B 46 -1.762 -6.442 10.951 1.00 0.92 O ATOM 1974 CB ALA B 46 -1.435 -8.937 9.636 1.00 1.07 C ATOM 0 H ALA B 46 -3.971 -8.552 7.853 1.00 0.75 H new ATOM 0 HA ALA B 46 -3.498 -8.434 9.993 1.00 0.94 H new ATOM 0 HB1 ALA B 46 -1.142 -8.891 10.685 1.00 1.07 H new ATOM 0 HB2 ALA B 46 -1.675 -9.967 9.371 1.00 1.07 H new ATOM 0 HB3 ALA B 46 -0.612 -8.584 9.014 1.00 1.07 H new ATOM 1980 N GLY B 47 -2.880 -5.636 9.178 1.00 0.83 N ATOM 1981 CA GLY B 47 -2.677 -4.252 9.570 1.00 0.87 C ATOM 1982 C GLY B 47 -1.330 -3.722 9.119 1.00 0.74 C ATOM 1983 O GLY B 47 -0.906 -2.638 9.528 1.00 0.85 O ATOM 0 H GLY B 47 -3.415 -5.763 8.319 1.00 0.83 H new ATOM 0 HA2 GLY B 47 -3.469 -3.636 9.145 1.00 0.87 H new ATOM 0 HA3 GLY B 47 -2.755 -4.168 10.654 1.00 0.87 H new ATOM 1987 N LYS B 48 -0.659 -4.491 8.279 1.00 0.58 N ATOM 1988 CA LYS B 48 0.643 -4.117 7.755 1.00 0.54 C ATOM 1989 C LYS B 48 0.763 -4.574 6.307 1.00 0.51 C ATOM 1990 O LYS B 48 -0.228 -4.961 5.687 1.00 0.55 O ATOM 1991 CB LYS B 48 1.762 -4.735 8.603 1.00 0.56 C ATOM 1992 CG LYS B 48 1.598 -6.227 8.854 1.00 1.38 C ATOM 1993 CD LYS B 48 2.818 -6.811 9.545 1.00 1.44 C ATOM 1994 CE LYS B 48 2.567 -8.239 10.001 1.00 2.31 C ATOM 1995 NZ LYS B 48 3.808 -8.893 10.498 1.00 2.94 N ATOM 0 H LYS B 48 -1.001 -5.391 7.941 1.00 0.58 H new ATOM 0 HA LYS B 48 0.743 -3.032 7.797 1.00 0.54 H new ATOM 0 HB2 LYS B 48 2.717 -4.564 8.106 1.00 0.56 H new ATOM 0 HB3 LYS B 48 1.804 -4.218 9.562 1.00 0.56 H new ATOM 0 HG2 LYS B 48 0.714 -6.399 9.467 1.00 1.38 H new ATOM 0 HG3 LYS B 48 1.434 -6.741 7.907 1.00 1.38 H new ATOM 0 HD2 LYS B 48 3.669 -6.789 8.864 1.00 1.44 H new ATOM 0 HD3 LYS B 48 3.081 -6.194 10.404 1.00 1.44 H new ATOM 0 HE2 LYS B 48 1.816 -8.240 10.791 1.00 2.31 H new ATOM 0 HE3 LYS B 48 2.159 -8.818 9.172 1.00 2.31 H new ATOM 0 HZ1 LYS B 48 3.565 -9.581 11.239 1.00 2.94 H new ATOM 0 HZ2 LYS B 48 4.281 -9.383 9.712 1.00 2.94 H new ATOM 0 HZ3 LYS B 48 4.447 -8.172 10.891 1.00 2.94 H new ATOM 2006 N GLN B 49 1.966 -4.521 5.763 1.00 0.54 N ATOM 2007 CA GLN B 49 2.186 -4.939 4.393 1.00 0.54 C ATOM 2008 C GLN B 49 3.072 -6.165 4.346 1.00 0.54 C ATOM 2009 O GLN B 49 4.016 -6.297 5.124 1.00 0.66 O ATOM 2010 CB GLN B 49 2.806 -3.813 3.581 1.00 0.61 C ATOM 2011 CG GLN B 49 1.779 -2.981 2.837 1.00 0.91 C ATOM 2012 CD GLN B 49 2.273 -1.590 2.510 1.00 1.34 C ATOM 2013 OE1 GLN B 49 1.942 -1.037 1.471 1.00 1.56 O ATOM 2014 NE2 GLN B 49 3.057 -1.009 3.400 1.00 2.24 N ATOM 0 H GLN B 49 2.801 -4.194 6.248 1.00 0.54 H new ATOM 0 HA GLN B 49 1.220 -5.190 3.956 1.00 0.54 H new ATOM 0 HB2 GLN B 49 3.377 -3.165 4.246 1.00 0.61 H new ATOM 0 HB3 GLN B 49 3.511 -4.235 2.865 1.00 0.61 H new ATOM 0 HG2 GLN B 49 1.507 -3.491 1.913 1.00 0.91 H new ATOM 0 HG3 GLN B 49 0.873 -2.907 3.439 1.00 0.91 H new ATOM 0 HE21 GLN B 49 3.311 -1.503 4.255 1.00 2.24 H new ATOM 0 HE22 GLN B 49 3.408 -0.066 3.232 1.00 2.24 H new ATOM 2023 N LEU B 50 2.760 -7.053 3.423 1.00 0.60 N ATOM 2024 CA LEU B 50 3.506 -8.284 3.258 1.00 0.66 C ATOM 2025 C LEU B 50 4.706 -8.052 2.351 1.00 0.68 C ATOM 2026 O LEU B 50 4.543 -7.730 1.172 1.00 0.66 O ATOM 2027 CB LEU B 50 2.594 -9.359 2.666 1.00 0.70 C ATOM 2028 CG LEU B 50 1.152 -9.341 3.177 1.00 1.06 C ATOM 2029 CD1 LEU B 50 0.291 -10.301 2.379 1.00 1.76 C ATOM 2030 CD2 LEU B 50 1.101 -9.684 4.659 1.00 1.23 C ATOM 0 H LEU B 50 1.985 -6.942 2.769 1.00 0.60 H new ATOM 0 HA LEU B 50 3.867 -8.619 4.230 1.00 0.66 H new ATOM 0 HB2 LEU B 50 2.580 -9.245 1.582 1.00 0.70 H new ATOM 0 HB3 LEU B 50 3.026 -10.337 2.878 1.00 0.70 H new ATOM 0 HG LEU B 50 0.757 -8.334 3.046 1.00 1.06 H new ATOM 0 HD11 LEU B 50 -0.731 -10.274 2.757 1.00 1.76 H new ATOM 0 HD12 LEU B 50 0.297 -10.008 1.329 1.00 1.76 H new ATOM 0 HD13 LEU B 50 0.687 -11.312 2.476 1.00 1.76 H new ATOM 0 HD21 LEU B 50 0.066 -9.665 5.001 1.00 1.23 H new ATOM 0 HD22 LEU B 50 1.518 -10.679 4.817 1.00 1.23 H new ATOM 0 HD23 LEU B 50 1.683 -8.954 5.222 1.00 1.23 H new ATOM 2042 N GLU B 51 5.907 -8.165 2.912 1.00 0.75 N ATOM 2043 CA GLU B 51 7.136 -7.975 2.152 1.00 0.83 C ATOM 2044 C GLU B 51 7.287 -9.054 1.081 1.00 0.76 C ATOM 2045 O GLU B 51 6.921 -10.211 1.293 1.00 0.70 O ATOM 2046 CB GLU B 51 8.337 -7.983 3.096 1.00 1.00 C ATOM 2047 CG GLU B 51 9.449 -7.040 2.674 1.00 1.33 C ATOM 2048 CD GLU B 51 10.679 -7.772 2.185 1.00 1.68 C ATOM 2049 OE1 GLU B 51 11.544 -8.113 3.017 1.00 2.36 O ATOM 2050 OE2 GLU B 51 10.786 -8.011 0.965 1.00 2.14 O ATOM 0 H GLU B 51 6.054 -8.389 3.896 1.00 0.75 H new ATOM 0 HA GLU B 51 7.088 -7.009 1.649 1.00 0.83 H new ATOM 0 HB2 GLU B 51 8.003 -7.712 4.098 1.00 1.00 H new ATOM 0 HB3 GLU B 51 8.735 -8.996 3.156 1.00 1.00 H new ATOM 0 HG2 GLU B 51 9.083 -6.384 1.884 1.00 1.33 H new ATOM 0 HG3 GLU B 51 9.720 -6.404 3.517 1.00 1.33 H new ATOM 2057 N ASP B 52 7.863 -8.666 -0.049 1.00 0.84 N ATOM 2058 CA ASP B 52 8.046 -9.561 -1.192 1.00 0.88 C ATOM 2059 C ASP B 52 9.000 -10.708 -0.875 1.00 0.92 C ATOM 2060 O ASP B 52 8.867 -11.807 -1.420 1.00 1.42 O ATOM 2061 CB ASP B 52 8.566 -8.773 -2.400 1.00 1.02 C ATOM 2062 CG ASP B 52 7.712 -7.558 -2.704 1.00 1.11 C ATOM 2063 OD1 ASP B 52 6.479 -7.704 -2.820 1.00 1.52 O ATOM 2064 OD2 ASP B 52 8.256 -6.439 -2.801 1.00 1.32 O ATOM 0 H ASP B 52 8.218 -7.722 -0.203 1.00 0.84 H new ATOM 0 HA ASP B 52 7.073 -9.994 -1.425 1.00 0.88 H new ATOM 0 HB2 ASP B 52 9.591 -8.456 -2.210 1.00 1.02 H new ATOM 0 HB3 ASP B 52 8.591 -9.425 -3.273 1.00 1.02 H new ATOM 2069 N GLY B 53 9.955 -10.451 0.009 1.00 0.79 N ATOM 2070 CA GLY B 53 10.924 -11.466 0.382 1.00 0.88 C ATOM 2071 C GLY B 53 10.440 -12.362 1.504 1.00 0.84 C ATOM 2072 O GLY B 53 11.166 -13.246 1.954 1.00 0.93 O ATOM 0 H GLY B 53 10.077 -9.553 0.477 1.00 0.79 H new ATOM 0 HA2 GLY B 53 11.155 -12.078 -0.490 1.00 0.88 H new ATOM 0 HA3 GLY B 53 11.851 -10.981 0.686 1.00 0.88 H new ATOM 2076 N ARG B 54 9.213 -12.145 1.949 1.00 0.76 N ATOM 2077 CA ARG B 54 8.640 -12.936 3.029 1.00 0.79 C ATOM 2078 C ARG B 54 7.621 -13.937 2.493 1.00 0.72 C ATOM 2079 O ARG B 54 7.086 -13.771 1.393 1.00 0.69 O ATOM 2080 CB ARG B 54 7.979 -12.016 4.056 1.00 0.83 C ATOM 2081 CG ARG B 54 8.949 -11.075 4.749 1.00 1.00 C ATOM 2082 CD ARG B 54 9.572 -11.717 5.975 1.00 1.22 C ATOM 2083 NE ARG B 54 8.938 -11.270 7.214 1.00 2.01 N ATOM 2084 CZ ARG B 54 9.051 -11.901 8.378 1.00 2.69 C ATOM 2085 NH1 ARG B 54 9.768 -13.014 8.467 1.00 2.90 N ATOM 2086 NH2 ARG B 54 8.451 -11.413 9.457 1.00 3.65 N ATOM 0 H ARG B 54 8.592 -11.426 1.578 1.00 0.76 H new ATOM 0 HA ARG B 54 9.445 -13.493 3.509 1.00 0.79 H new ATOM 0 HB2 ARG B 54 7.208 -11.427 3.559 1.00 0.83 H new ATOM 0 HB3 ARG B 54 7.479 -12.626 4.808 1.00 0.83 H new ATOM 0 HG2 ARG B 54 9.734 -10.783 4.052 1.00 1.00 H new ATOM 0 HG3 ARG B 54 8.427 -10.164 5.041 1.00 1.00 H new ATOM 0 HD2 ARG B 54 9.489 -12.801 5.897 1.00 1.22 H new ATOM 0 HD3 ARG B 54 10.635 -11.480 6.007 1.00 1.22 H new ATOM 0 HE ARG B 54 8.374 -10.421 7.183 1.00 2.01 H new ATOM 0 HH11 ARG B 54 10.234 -13.388 7.640 1.00 2.90 H new ATOM 0 HH12 ARG B 54 9.853 -13.496 9.362 1.00 2.90 H new ATOM 0 HH21 ARG B 54 7.904 -10.555 9.392 1.00 3.65 H new ATOM 0 HH22 ARG B 54 8.537 -11.897 10.351 1.00 3.65 H new ATOM 2100 N THR B 55 7.356 -14.980 3.269 1.00 0.72 N ATOM 2101 CA THR B 55 6.400 -16.001 2.870 1.00 0.68 C ATOM 2102 C THR B 55 5.061 -15.785 3.569 1.00 0.66 C ATOM 2103 O THR B 55 4.956 -14.964 4.483 1.00 0.69 O ATOM 2104 CB THR B 55 6.916 -17.422 3.185 1.00 0.75 C ATOM 2105 OG1 THR B 55 7.240 -17.540 4.577 1.00 0.90 O ATOM 2106 CG2 THR B 55 8.143 -17.753 2.349 1.00 0.76 C ATOM 0 H THR B 55 7.790 -15.140 4.178 1.00 0.72 H new ATOM 0 HA THR B 55 6.269 -15.913 1.792 1.00 0.68 H new ATOM 0 HB THR B 55 6.122 -18.127 2.938 1.00 0.75 H new ATOM 0 HG1 THR B 55 8.040 -17.008 4.773 1.00 0.90 H new ATOM 0 HG21 THR B 55 8.487 -18.759 2.590 1.00 0.76 H new ATOM 0 HG22 THR B 55 7.887 -17.700 1.291 1.00 0.76 H new ATOM 0 HG23 THR B 55 8.936 -17.037 2.567 1.00 0.76 H new ATOM 2114 N LEU B 56 4.039 -16.511 3.135 1.00 0.63 N ATOM 2115 CA LEU B 56 2.713 -16.394 3.732 1.00 0.63 C ATOM 2116 C LEU B 56 2.725 -16.823 5.198 1.00 0.70 C ATOM 2117 O LEU B 56 2.121 -16.166 6.049 1.00 0.71 O ATOM 2118 CB LEU B 56 1.699 -17.218 2.941 1.00 0.62 C ATOM 2119 CG LEU B 56 1.411 -16.699 1.531 1.00 0.58 C ATOM 2120 CD1 LEU B 56 0.548 -17.683 0.766 1.00 1.15 C ATOM 2121 CD2 LEU B 56 0.731 -15.338 1.589 1.00 1.26 C ATOM 0 H LEU B 56 4.101 -17.186 2.373 1.00 0.63 H new ATOM 0 HA LEU B 56 2.418 -15.345 3.694 1.00 0.63 H new ATOM 0 HB2 LEU B 56 2.062 -18.243 2.868 1.00 0.62 H new ATOM 0 HB3 LEU B 56 0.763 -17.250 3.499 1.00 0.62 H new ATOM 0 HG LEU B 56 2.361 -16.591 1.008 1.00 0.58 H new ATOM 0 HD11 LEU B 56 0.354 -17.296 -0.234 1.00 1.15 H new ATOM 0 HD12 LEU B 56 1.066 -18.639 0.691 1.00 1.15 H new ATOM 0 HD13 LEU B 56 -0.397 -17.822 1.291 1.00 1.15 H new ATOM 0 HD21 LEU B 56 0.535 -14.986 0.576 1.00 1.26 H new ATOM 0 HD22 LEU B 56 -0.210 -15.424 2.132 1.00 1.26 H new ATOM 0 HD23 LEU B 56 1.381 -14.628 2.100 1.00 1.26 H new ATOM 2133 N SER B 57 3.413 -17.922 5.498 1.00 0.76 N ATOM 2134 CA SER B 57 3.505 -18.409 6.868 1.00 0.85 C ATOM 2135 C SER B 57 4.234 -17.408 7.764 1.00 0.90 C ATOM 2136 O SER B 57 4.027 -17.382 8.978 1.00 0.98 O ATOM 2137 CB SER B 57 4.213 -19.764 6.900 1.00 0.95 C ATOM 2138 OG SER B 57 5.109 -19.897 5.808 1.00 0.98 O ATOM 0 H SER B 57 3.912 -18.489 4.813 1.00 0.76 H new ATOM 0 HA SER B 57 2.492 -18.528 7.253 1.00 0.85 H new ATOM 0 HB2 SER B 57 4.759 -19.871 7.837 1.00 0.95 H new ATOM 0 HB3 SER B 57 3.474 -20.565 6.868 1.00 0.95 H new ATOM 0 HG SER B 57 5.550 -20.771 5.852 1.00 0.98 H new ATOM 2144 N ASP B 58 5.055 -16.558 7.155 1.00 0.87 N ATOM 2145 CA ASP B 58 5.807 -15.549 7.897 1.00 0.93 C ATOM 2146 C ASP B 58 4.866 -14.508 8.488 1.00 0.91 C ATOM 2147 O ASP B 58 5.199 -13.844 9.470 1.00 0.95 O ATOM 2148 CB ASP B 58 6.818 -14.834 6.992 1.00 0.97 C ATOM 2149 CG ASP B 58 8.107 -15.602 6.800 1.00 1.14 C ATOM 2150 OD1 ASP B 58 8.619 -16.170 7.785 1.00 1.16 O ATOM 2151 OD2 ASP B 58 8.615 -15.636 5.655 1.00 1.61 O ATOM 0 H ASP B 58 5.217 -16.547 6.148 1.00 0.87 H new ATOM 0 HA ASP B 58 6.340 -16.066 8.695 1.00 0.93 H new ATOM 0 HB2 ASP B 58 6.361 -14.658 6.018 1.00 0.97 H new ATOM 0 HB3 ASP B 58 7.047 -13.857 7.418 1.00 0.97 H new ATOM 2156 N TYR B 59 3.689 -14.381 7.890 1.00 0.86 N ATOM 2157 CA TYR B 59 2.708 -13.407 8.339 1.00 0.87 C ATOM 2158 C TYR B 59 1.486 -14.069 8.957 1.00 0.88 C ATOM 2159 O TYR B 59 0.435 -13.441 9.052 1.00 0.91 O ATOM 2160 CB TYR B 59 2.281 -12.523 7.172 1.00 0.81 C ATOM 2161 CG TYR B 59 3.357 -11.564 6.729 1.00 0.78 C ATOM 2162 CD1 TYR B 59 3.743 -10.512 7.545 1.00 0.84 C ATOM 2163 CD2 TYR B 59 3.989 -11.708 5.503 1.00 0.78 C ATOM 2164 CE1 TYR B 59 4.730 -9.633 7.155 1.00 0.87 C ATOM 2165 CE2 TYR B 59 4.977 -10.829 5.105 1.00 0.80 C ATOM 2166 CZ TYR B 59 5.341 -9.794 5.936 1.00 0.83 C ATOM 2167 OH TYR B 59 6.331 -8.920 5.556 1.00 0.90 O ATOM 0 H TYR B 59 3.392 -14.942 7.092 1.00 0.86 H new ATOM 0 HA TYR B 59 3.180 -12.799 9.111 1.00 0.87 H new ATOM 0 HB2 TYR B 59 1.998 -13.155 6.330 1.00 0.81 H new ATOM 0 HB3 TYR B 59 1.394 -11.957 7.458 1.00 0.81 H new ATOM 0 HD1 TYR B 59 3.262 -10.379 8.503 1.00 0.84 H new ATOM 0 HD2 TYR B 59 3.704 -12.520 4.850 1.00 0.78 H new ATOM 0 HE1 TYR B 59 5.022 -8.821 7.805 1.00 0.87 H new ATOM 0 HE2 TYR B 59 5.461 -10.953 4.148 1.00 0.80 H new ATOM 0 HH TYR B 59 7.061 -8.948 6.209 1.00 0.90 H new ATOM 2177 N ASN B 60 1.619 -15.348 9.332 1.00 0.89 N ATOM 2178 CA ASN B 60 0.538 -16.115 9.971 1.00 0.92 C ATOM 2179 C ASN B 60 -0.748 -16.078 9.143 1.00 0.86 C ATOM 2180 O ASN B 60 -1.859 -15.983 9.674 1.00 0.89 O ATOM 2181 CB ASN B 60 0.295 -15.702 11.451 1.00 1.00 C ATOM 2182 CG ASN B 60 -0.193 -14.272 11.674 1.00 1.48 C ATOM 2183 OD1 ASN B 60 0.604 -13.355 11.891 1.00 2.05 O ATOM 2184 ND2 ASN B 60 -1.504 -14.076 11.657 1.00 1.91 N ATOM 0 H ASN B 60 2.479 -15.881 9.202 1.00 0.89 H new ATOM 0 HA ASN B 60 0.873 -17.152 10.002 1.00 0.92 H new ATOM 0 HB2 ASN B 60 -0.435 -16.386 11.883 1.00 1.00 H new ATOM 0 HB3 ASN B 60 1.225 -15.838 12.003 1.00 1.00 H new ATOM 0 HD21 ASN B 60 -1.883 -13.144 11.827 1.00 1.91 H new ATOM 0 HD22 ASN B 60 -2.134 -14.857 11.474 1.00 1.91 H new ATOM 2191 N ILE B 61 -0.583 -16.202 7.832 1.00 0.80 N ATOM 2192 CA ILE B 61 -1.704 -16.202 6.909 1.00 0.74 C ATOM 2193 C ILE B 61 -2.202 -17.628 6.704 1.00 0.74 C ATOM 2194 O ILE B 61 -1.432 -18.516 6.340 1.00 0.73 O ATOM 2195 CB ILE B 61 -1.314 -15.582 5.549 1.00 0.68 C ATOM 2196 CG1 ILE B 61 -0.816 -14.150 5.749 1.00 0.70 C ATOM 2197 CG2 ILE B 61 -2.494 -15.608 4.585 1.00 0.66 C ATOM 2198 CD1 ILE B 61 -0.284 -13.506 4.488 1.00 0.65 C ATOM 0 H ILE B 61 0.327 -16.305 7.383 1.00 0.80 H new ATOM 0 HA ILE B 61 -2.499 -15.594 7.341 1.00 0.74 H new ATOM 0 HB ILE B 61 -0.510 -16.176 5.115 1.00 0.68 H new ATOM 0 HG12 ILE B 61 -1.633 -13.543 6.139 1.00 0.70 H new ATOM 0 HG13 ILE B 61 -0.030 -14.151 6.505 1.00 0.70 H new ATOM 0 HG21 ILE B 61 -2.197 -15.166 3.634 1.00 0.66 H new ATOM 0 HG22 ILE B 61 -2.809 -16.639 4.424 1.00 0.66 H new ATOM 0 HG23 ILE B 61 -3.321 -15.037 5.007 1.00 0.66 H new ATOM 0 HD11 ILE B 61 0.050 -12.493 4.710 1.00 0.65 H new ATOM 0 HD12 ILE B 61 0.555 -14.089 4.107 1.00 0.65 H new ATOM 0 HD13 ILE B 61 -1.073 -13.472 3.736 1.00 0.65 H new ATOM 2210 N GLN B 62 -3.481 -17.839 6.961 1.00 0.80 N ATOM 2211 CA GLN B 62 -4.081 -19.159 6.822 1.00 0.81 C ATOM 2212 C GLN B 62 -5.045 -19.217 5.638 1.00 0.75 C ATOM 2213 O GLN B 62 -5.003 -18.369 4.740 1.00 0.70 O ATOM 2214 CB GLN B 62 -4.806 -19.542 8.112 1.00 0.91 C ATOM 2215 CG GLN B 62 -3.871 -19.729 9.292 1.00 1.02 C ATOM 2216 CD GLN B 62 -4.600 -20.154 10.546 1.00 1.22 C ATOM 2217 OE1 GLN B 62 -5.056 -19.316 11.325 1.00 1.83 O ATOM 2218 NE2 GLN B 62 -4.715 -21.456 10.748 1.00 1.51 N ATOM 0 H GLN B 62 -4.128 -17.112 7.268 1.00 0.80 H new ATOM 0 HA GLN B 62 -3.280 -19.873 6.632 1.00 0.81 H new ATOM 0 HB2 GLN B 62 -5.535 -18.769 8.354 1.00 0.91 H new ATOM 0 HB3 GLN B 62 -5.362 -20.465 7.948 1.00 0.91 H new ATOM 0 HG2 GLN B 62 -3.120 -20.478 9.041 1.00 1.02 H new ATOM 0 HG3 GLN B 62 -3.340 -18.796 9.482 1.00 1.02 H new ATOM 0 HE21 GLN B 62 -4.321 -22.113 10.075 1.00 1.51 H new ATOM 0 HE22 GLN B 62 -5.198 -21.803 11.577 1.00 1.51 H new ATOM 2227 N LYS B 63 -5.912 -20.218 5.649 1.00 0.78 N ATOM 2228 CA LYS B 63 -6.888 -20.407 4.587 1.00 0.77 C ATOM 2229 C LYS B 63 -8.053 -19.433 4.733 1.00 0.77 C ATOM 2230 O LYS B 63 -8.414 -19.043 5.850 1.00 0.82 O ATOM 2231 CB LYS B 63 -7.420 -21.842 4.608 1.00 0.81 C ATOM 2232 CG LYS B 63 -8.154 -22.191 5.892 1.00 0.91 C ATOM 2233 CD LYS B 63 -8.776 -23.574 5.832 1.00 1.12 C ATOM 2234 CE LYS B 63 -9.432 -23.926 7.155 1.00 1.66 C ATOM 2235 NZ LYS B 63 -10.151 -25.224 7.098 1.00 2.28 N ATOM 0 H LYS B 63 -5.959 -20.918 6.389 1.00 0.78 H new ATOM 0 HA LYS B 63 -6.390 -20.216 3.637 1.00 0.77 H new ATOM 0 HB2 LYS B 63 -8.093 -21.985 3.762 1.00 0.81 H new ATOM 0 HB3 LYS B 63 -6.588 -22.533 4.474 1.00 0.81 H new ATOM 0 HG2 LYS B 63 -7.460 -22.141 6.731 1.00 0.91 H new ATOM 0 HG3 LYS B 63 -8.932 -21.451 6.078 1.00 0.91 H new ATOM 0 HD2 LYS B 63 -9.516 -23.611 5.032 1.00 1.12 H new ATOM 0 HD3 LYS B 63 -8.011 -24.312 5.592 1.00 1.12 H new ATOM 0 HE2 LYS B 63 -8.672 -23.968 7.935 1.00 1.66 H new ATOM 0 HE3 LYS B 63 -10.131 -23.137 7.433 1.00 1.66 H new ATOM 0 HZ1 LYS B 63 -10.583 -25.423 8.023 1.00 2.28 H new ATOM 0 HZ2 LYS B 63 -10.894 -25.178 6.372 1.00 2.28 H new ATOM 0 HZ3 LYS B 63 -9.480 -25.982 6.859 1.00 2.28 H new ATOM 2249 N GLU B 64 -8.611 -19.028 3.594 1.00 0.75 N ATOM 2250 CA GLU B 64 -9.757 -18.120 3.545 1.00 0.79 C ATOM 2251 C GLU B 64 -9.417 -16.733 4.093 1.00 0.78 C ATOM 2252 O GLU B 64 -10.300 -15.997 4.531 1.00 0.90 O ATOM 2253 CB GLU B 64 -10.948 -18.718 4.300 1.00 0.88 C ATOM 2254 CG GLU B 64 -11.466 -20.011 3.687 1.00 1.05 C ATOM 2255 CD GLU B 64 -12.670 -20.566 4.420 1.00 1.32 C ATOM 2256 OE1 GLU B 64 -13.272 -19.834 5.236 1.00 2.17 O ATOM 2257 OE2 GLU B 64 -13.026 -21.740 4.175 1.00 1.43 O ATOM 0 H GLU B 64 -8.280 -19.321 2.675 1.00 0.75 H new ATOM 0 HA GLU B 64 -10.027 -17.996 2.496 1.00 0.79 H new ATOM 0 HB2 GLU B 64 -10.656 -18.906 5.333 1.00 0.88 H new ATOM 0 HB3 GLU B 64 -11.756 -17.987 4.325 1.00 0.88 H new ATOM 0 HG2 GLU B 64 -11.731 -19.833 2.645 1.00 1.05 H new ATOM 0 HG3 GLU B 64 -10.669 -20.755 3.691 1.00 1.05 H new ATOM 2264 N SER B 65 -8.143 -16.377 4.061 1.00 0.69 N ATOM 2265 CA SER B 65 -7.716 -15.069 4.538 1.00 0.70 C ATOM 2266 C SER B 65 -8.068 -14.004 3.506 1.00 0.66 C ATOM 2267 O SER B 65 -7.907 -14.221 2.303 1.00 0.63 O ATOM 2268 CB SER B 65 -6.214 -15.061 4.812 1.00 0.68 C ATOM 2269 OG SER B 65 -5.863 -16.087 5.722 1.00 0.74 O ATOM 0 H SER B 65 -7.390 -16.970 3.712 1.00 0.69 H new ATOM 0 HA SER B 65 -8.236 -14.849 5.471 1.00 0.70 H new ATOM 0 HB2 SER B 65 -5.669 -15.195 3.878 1.00 0.68 H new ATOM 0 HB3 SER B 65 -5.919 -14.093 5.217 1.00 0.68 H new ATOM 0 HG SER B 65 -5.332 -16.768 5.258 1.00 0.74 H new ATOM 2275 N THR B 66 -8.560 -12.870 3.972 1.00 0.70 N ATOM 2276 CA THR B 66 -8.933 -11.786 3.081 1.00 0.69 C ATOM 2277 C THR B 66 -7.828 -10.735 3.001 1.00 0.65 C ATOM 2278 O THR B 66 -7.502 -10.084 3.995 1.00 0.68 O ATOM 2279 CB THR B 66 -10.243 -11.120 3.540 1.00 0.79 C ATOM 2280 OG1 THR B 66 -11.106 -12.100 4.134 1.00 0.98 O ATOM 2281 CG2 THR B 66 -10.953 -10.456 2.370 1.00 0.88 C ATOM 0 H THR B 66 -8.711 -12.676 4.962 1.00 0.70 H new ATOM 0 HA THR B 66 -9.082 -12.217 2.091 1.00 0.69 H new ATOM 0 HB THR B 66 -9.998 -10.354 4.276 1.00 0.79 H new ATOM 0 HG1 THR B 66 -11.937 -11.670 4.426 1.00 0.98 H new ATOM 0 HG21 THR B 66 -11.876 -9.993 2.720 1.00 0.88 H new ATOM 0 HG22 THR B 66 -10.306 -9.694 1.937 1.00 0.88 H new ATOM 0 HG23 THR B 66 -11.187 -11.205 1.614 1.00 0.88 H new ATOM 2289 N LEU B 67 -7.257 -10.588 1.818 1.00 0.61 N ATOM 2290 CA LEU B 67 -6.199 -9.619 1.575 1.00 0.59 C ATOM 2291 C LEU B 67 -6.758 -8.464 0.749 1.00 0.58 C ATOM 2292 O LEU B 67 -7.773 -8.623 0.075 1.00 0.61 O ATOM 2293 CB LEU B 67 -5.028 -10.271 0.827 1.00 0.59 C ATOM 2294 CG LEU B 67 -4.205 -11.287 1.630 1.00 0.75 C ATOM 2295 CD1 LEU B 67 -4.888 -12.647 1.659 1.00 1.15 C ATOM 2296 CD2 LEU B 67 -2.811 -11.412 1.042 1.00 1.31 C ATOM 0 H LEU B 67 -7.513 -11.137 0.997 1.00 0.61 H new ATOM 0 HA LEU B 67 -5.832 -9.248 2.532 1.00 0.59 H new ATOM 0 HB2 LEU B 67 -5.420 -10.769 -0.060 1.00 0.59 H new ATOM 0 HB3 LEU B 67 -4.359 -9.483 0.480 1.00 0.59 H new ATOM 0 HG LEU B 67 -4.128 -10.926 2.656 1.00 0.75 H new ATOM 0 HD11 LEU B 67 -4.282 -13.346 2.235 1.00 1.15 H new ATOM 0 HD12 LEU B 67 -5.870 -12.551 2.122 1.00 1.15 H new ATOM 0 HD13 LEU B 67 -5.002 -13.019 0.641 1.00 1.15 H new ATOM 0 HD21 LEU B 67 -2.236 -12.136 1.620 1.00 1.31 H new ATOM 0 HD22 LEU B 67 -2.881 -11.747 0.007 1.00 1.31 H new ATOM 0 HD23 LEU B 67 -2.313 -10.443 1.076 1.00 1.31 H new ATOM 2308 N HIS B 68 -6.115 -7.308 0.803 1.00 0.59 N ATOM 2309 CA HIS B 68 -6.584 -6.157 0.040 1.00 0.60 C ATOM 2310 C HIS B 68 -5.539 -5.713 -0.976 1.00 0.56 C ATOM 2311 O HIS B 68 -4.397 -5.427 -0.620 1.00 0.65 O ATOM 2312 CB HIS B 68 -6.941 -4.994 0.972 1.00 0.70 C ATOM 2313 CG HIS B 68 -7.481 -3.788 0.257 1.00 1.14 C ATOM 2314 ND1 HIS B 68 -8.692 -3.782 -0.400 1.00 1.91 N ATOM 2315 CD2 HIS B 68 -6.958 -2.552 0.084 1.00 1.76 C ATOM 2316 CE1 HIS B 68 -8.889 -2.596 -0.944 1.00 2.20 C ATOM 2317 NE2 HIS B 68 -7.853 -1.828 -0.666 1.00 2.10 N ATOM 0 H HIS B 68 -5.277 -7.140 1.359 1.00 0.59 H new ATOM 0 HA HIS B 68 -7.482 -6.460 -0.499 1.00 0.60 H new ATOM 0 HB2 HIS B 68 -7.679 -5.336 1.698 1.00 0.70 H new ATOM 0 HB3 HIS B 68 -6.053 -4.705 1.533 1.00 0.70 H new ATOM 0 HD2 HIS B 68 -6.011 -2.199 0.465 1.00 1.76 H new ATOM 0 HE1 HIS B 68 -9.754 -2.303 -1.521 1.00 2.20 H new ATOM 0 HE2 HIS B 68 -7.736 -0.858 -0.959 1.00 2.10 H new ATOM 2326 N LEU B 69 -5.941 -5.673 -2.239 1.00 0.55 N ATOM 2327 CA LEU B 69 -5.054 -5.258 -3.319 1.00 0.51 C ATOM 2328 C LEU B 69 -5.179 -3.757 -3.569 1.00 0.52 C ATOM 2329 O LEU B 69 -6.266 -3.253 -3.854 1.00 0.70 O ATOM 2330 CB LEU B 69 -5.386 -6.033 -4.597 1.00 0.58 C ATOM 2331 CG LEU B 69 -4.396 -5.855 -5.748 1.00 0.56 C ATOM 2332 CD1 LEU B 69 -3.064 -6.508 -5.418 1.00 0.51 C ATOM 2333 CD2 LEU B 69 -4.972 -6.434 -7.031 1.00 0.71 C ATOM 0 H LEU B 69 -6.882 -5.924 -2.543 1.00 0.55 H new ATOM 0 HA LEU B 69 -4.027 -5.476 -3.027 1.00 0.51 H new ATOM 0 HB2 LEU B 69 -5.446 -7.094 -4.353 1.00 0.58 H new ATOM 0 HB3 LEU B 69 -6.375 -5.728 -4.940 1.00 0.58 H new ATOM 0 HG LEU B 69 -4.224 -4.789 -5.894 1.00 0.56 H new ATOM 0 HD11 LEU B 69 -2.375 -6.369 -6.251 1.00 0.51 H new ATOM 0 HD12 LEU B 69 -2.647 -6.050 -4.521 1.00 0.51 H new ATOM 0 HD13 LEU B 69 -3.214 -7.574 -5.245 1.00 0.51 H new ATOM 0 HD21 LEU B 69 -4.257 -6.301 -7.843 1.00 0.71 H new ATOM 0 HD22 LEU B 69 -5.171 -7.497 -6.893 1.00 0.71 H new ATOM 0 HD23 LEU B 69 -5.901 -5.920 -7.277 1.00 0.71 H new ATOM 2345 N VAL B 70 -4.066 -3.051 -3.442 1.00 0.40 N ATOM 2346 CA VAL B 70 -4.028 -1.612 -3.659 1.00 0.44 C ATOM 2347 C VAL B 70 -3.321 -1.293 -4.973 1.00 0.43 C ATOM 2348 O VAL B 70 -2.236 -1.808 -5.237 1.00 0.49 O ATOM 2349 CB VAL B 70 -3.298 -0.897 -2.502 1.00 0.47 C ATOM 2350 CG1 VAL B 70 -3.301 0.611 -2.696 1.00 1.14 C ATOM 2351 CG2 VAL B 70 -3.919 -1.262 -1.166 1.00 0.77 C ATOM 0 H VAL B 70 -3.166 -3.457 -3.186 1.00 0.40 H new ATOM 0 HA VAL B 70 -5.057 -1.255 -3.701 1.00 0.44 H new ATOM 0 HB VAL B 70 -2.262 -1.235 -2.506 1.00 0.47 H new ATOM 0 HG11 VAL B 70 -2.780 1.086 -1.865 1.00 1.14 H new ATOM 0 HG12 VAL B 70 -2.797 0.859 -3.630 1.00 1.14 H new ATOM 0 HG13 VAL B 70 -4.329 0.971 -2.732 1.00 1.14 H new ATOM 0 HG21 VAL B 70 -3.389 -0.747 -0.365 1.00 0.77 H new ATOM 0 HG22 VAL B 70 -4.967 -0.963 -1.158 1.00 0.77 H new ATOM 0 HG23 VAL B 70 -3.848 -2.339 -1.014 1.00 0.77 H new ATOM 2361 N LEU B 71 -3.937 -0.448 -5.791 1.00 0.44 N ATOM 2362 CA LEU B 71 -3.359 -0.066 -7.074 1.00 0.45 C ATOM 2363 C LEU B 71 -2.715 1.312 -6.974 1.00 0.52 C ATOM 2364 O LEU B 71 -3.220 2.186 -6.272 1.00 0.65 O ATOM 2365 CB LEU B 71 -4.434 -0.060 -8.165 1.00 0.52 C ATOM 2366 CG LEU B 71 -5.169 -1.387 -8.371 1.00 0.60 C ATOM 2367 CD1 LEU B 71 -6.200 -1.257 -9.478 1.00 0.99 C ATOM 2368 CD2 LEU B 71 -4.187 -2.498 -8.691 1.00 1.04 C ATOM 0 H LEU B 71 -4.838 -0.014 -5.589 1.00 0.44 H new ATOM 0 HA LEU B 71 -2.594 -0.797 -7.338 1.00 0.45 H new ATOM 0 HB2 LEU B 71 -5.168 0.709 -7.924 1.00 0.52 H new ATOM 0 HB3 LEU B 71 -3.969 0.228 -9.108 1.00 0.52 H new ATOM 0 HG LEU B 71 -5.685 -1.640 -7.445 1.00 0.60 H new ATOM 0 HD11 LEU B 71 -6.713 -2.209 -9.611 1.00 0.99 H new ATOM 0 HD12 LEU B 71 -6.925 -0.488 -9.211 1.00 0.99 H new ATOM 0 HD13 LEU B 71 -5.703 -0.980 -10.408 1.00 0.99 H new ATOM 0 HD21 LEU B 71 -4.729 -3.433 -8.834 1.00 1.04 H new ATOM 0 HD22 LEU B 71 -3.643 -2.251 -9.603 1.00 1.04 H new ATOM 0 HD23 LEU B 71 -3.482 -2.609 -7.867 1.00 1.04 H new ATOM 2380 N ARG B 72 -1.605 1.501 -7.677 1.00 0.70 N ATOM 2381 CA ARG B 72 -0.889 2.772 -7.655 1.00 0.85 C ATOM 2382 C ARG B 72 -1.209 3.601 -8.892 1.00 1.12 C ATOM 2383 O ARG B 72 -1.539 3.058 -9.945 1.00 1.44 O ATOM 2384 CB ARG B 72 0.624 2.526 -7.571 1.00 1.05 C ATOM 2385 CG ARG B 72 1.461 3.796 -7.582 1.00 1.32 C ATOM 2386 CD ARG B 72 2.949 3.490 -7.640 1.00 1.27 C ATOM 2387 NE ARG B 72 3.719 4.610 -8.187 1.00 1.61 N ATOM 2388 CZ ARG B 72 5.033 4.776 -8.008 1.00 2.00 C ATOM 2389 NH1 ARG B 72 5.719 3.934 -7.246 1.00 2.37 N ATOM 2390 NH2 ARG B 72 5.652 5.796 -8.589 1.00 2.67 N ATOM 0 H ARG B 72 -1.180 0.789 -8.271 1.00 0.70 H new ATOM 0 HA ARG B 72 -1.213 3.327 -6.775 1.00 0.85 H new ATOM 0 HB2 ARG B 72 0.841 1.969 -6.660 1.00 1.05 H new ATOM 0 HB3 ARG B 72 0.926 1.897 -8.409 1.00 1.05 H new ATOM 0 HG2 ARG B 72 1.182 4.408 -8.440 1.00 1.32 H new ATOM 0 HG3 ARG B 72 1.245 4.382 -6.689 1.00 1.32 H new ATOM 0 HD2 ARG B 72 3.310 3.257 -6.638 1.00 1.27 H new ATOM 0 HD3 ARG B 72 3.113 2.604 -8.253 1.00 1.27 H new ATOM 0 HE ARG B 72 3.220 5.307 -8.740 1.00 1.61 H new ATOM 0 HH11 ARG B 72 5.244 3.154 -6.792 1.00 2.37 H new ATOM 0 HH12 ARG B 72 6.722 4.067 -7.114 1.00 2.37 H new ATOM 0 HH21 ARG B 72 5.125 6.449 -9.169 1.00 2.67 H new ATOM 0 HH22 ARG B 72 6.655 5.927 -8.455 1.00 2.67 H new ATOM 2404 N LEU B 73 -1.139 4.917 -8.745 1.00 1.43 N ATOM 2405 CA LEU B 73 -1.385 5.823 -9.854 1.00 1.81 C ATOM 2406 C LEU B 73 -0.139 5.909 -10.727 1.00 2.25 C ATOM 2407 O LEU B 73 0.843 6.552 -10.359 1.00 2.64 O ATOM 2408 CB LEU B 73 -1.757 7.216 -9.343 1.00 2.20 C ATOM 2409 CG LEU B 73 -2.020 8.251 -10.440 1.00 2.74 C ATOM 2410 CD1 LEU B 73 -3.506 8.361 -10.734 1.00 3.46 C ATOM 2411 CD2 LEU B 73 -1.447 9.604 -10.052 1.00 3.06 C ATOM 0 H LEU B 73 -0.913 5.380 -7.865 1.00 1.43 H new ATOM 0 HA LEU B 73 -2.218 5.438 -10.442 1.00 1.81 H new ATOM 0 HB2 LEU B 73 -2.647 7.134 -8.719 1.00 2.20 H new ATOM 0 HB3 LEU B 73 -0.953 7.580 -8.704 1.00 2.20 H new ATOM 0 HG LEU B 73 -1.519 7.916 -11.348 1.00 2.74 H new ATOM 0 HD11 LEU B 73 -3.668 9.102 -11.516 1.00 3.46 H new ATOM 0 HD12 LEU B 73 -3.884 7.394 -11.066 1.00 3.46 H new ATOM 0 HD13 LEU B 73 -4.034 8.666 -9.830 1.00 3.46 H new ATOM 0 HD21 LEU B 73 -1.645 10.324 -10.846 1.00 3.06 H new ATOM 0 HD22 LEU B 73 -1.913 9.945 -9.128 1.00 3.06 H new ATOM 0 HD23 LEU B 73 -0.371 9.514 -9.904 1.00 3.06 H new ATOM 2423 N ARG B 74 -0.171 5.243 -11.865 1.00 2.57 N ATOM 2424 CA ARG B 74 0.958 5.245 -12.780 1.00 3.21 C ATOM 2425 C ARG B 74 0.477 5.406 -14.215 1.00 3.66 C ATOM 2426 O ARG B 74 -0.150 4.507 -14.774 1.00 4.13 O ATOM 2427 CB ARG B 74 1.756 3.947 -12.633 1.00 3.52 C ATOM 2428 CG ARG B 74 3.092 3.957 -13.360 1.00 3.95 C ATOM 2429 CD ARG B 74 4.213 4.513 -12.490 1.00 3.89 C ATOM 2430 NE ARG B 74 4.064 5.946 -12.218 1.00 3.86 N ATOM 2431 CZ ARG B 74 4.291 6.911 -13.109 1.00 3.91 C ATOM 2432 NH1 ARG B 74 4.626 6.618 -14.358 1.00 3.94 N ATOM 2433 NH2 ARG B 74 4.181 8.181 -12.745 1.00 4.46 N ATOM 0 H ARG B 74 -0.969 4.691 -12.180 1.00 2.57 H new ATOM 0 HA ARG B 74 1.605 6.087 -12.534 1.00 3.21 H new ATOM 0 HB2 ARG B 74 1.932 3.758 -11.574 1.00 3.52 H new ATOM 0 HB3 ARG B 74 1.155 3.119 -13.009 1.00 3.52 H new ATOM 0 HG2 ARG B 74 3.343 2.943 -13.670 1.00 3.95 H new ATOM 0 HG3 ARG B 74 3.006 4.556 -14.267 1.00 3.95 H new ATOM 0 HD2 ARG B 74 4.237 3.969 -11.546 1.00 3.89 H new ATOM 0 HD3 ARG B 74 5.170 4.339 -12.983 1.00 3.89 H new ATOM 0 HE ARG B 74 3.766 6.224 -11.283 1.00 3.86 H new ATOM 0 HH11 ARG B 74 4.713 5.644 -14.648 1.00 3.94 H new ATOM 0 HH12 ARG B 74 4.797 7.367 -15.029 1.00 3.94 H new ATOM 0 HH21 ARG B 74 3.924 8.416 -11.786 1.00 4.46 H new ATOM 0 HH22 ARG B 74 4.354 8.923 -13.423 1.00 4.46 H new ATOM 2447 N GLY B 75 0.765 6.555 -14.801 1.00 3.91 N ATOM 2448 CA GLY B 75 0.353 6.818 -16.163 1.00 4.54 C ATOM 2449 C GLY B 75 0.388 8.295 -16.479 1.00 4.82 C ATOM 2450 O GLY B 75 1.055 8.721 -17.420 1.00 5.30 O ATOM 0 H GLY B 75 1.280 7.315 -14.356 1.00 3.91 H new ATOM 0 HA2 GLY B 75 1.007 6.282 -16.851 1.00 4.54 H new ATOM 0 HA3 GLY B 75 -0.656 6.436 -16.319 1.00 4.54 H new ATOM 2454 N GLY B 76 -0.336 9.073 -15.688 1.00 4.83 N ATOM 2455 CA GLY B 76 -0.369 10.507 -15.881 1.00 5.27 C ATOM 2456 C GLY B 76 0.650 11.207 -15.008 1.00 5.46 C ATOM 2457 O GLY B 76 1.705 10.603 -14.720 1.00 5.28 O ATOM 2458 OXT GLY B 76 0.398 12.353 -14.585 1.00 6.13 O ATOM 0 H GLY B 76 -0.904 8.734 -14.912 1.00 4.83 H new ATOM 0 HA2 GLY B 76 -0.174 10.739 -16.928 1.00 5.27 H new ATOM 0 HA3 GLY B 76 -1.366 10.883 -15.652 1.00 5.27 H new TER 2462 GLY B 76