USER MOD reduce.3.24.130724 H: found=0, std=0, add=1339, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1339 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 SER OG : rot -30:sc= 0.00729 USER MOD Single : A 5 GLN : amide:sc= -0.0223 K(o=-0.022,f=-1.7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.594 K(o=-0.59,f=-0.088) USER MOD Single : A 15 MET CE :methyl -154:sc= -3.05! (180deg=-4.66!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -150:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -107:sc= 0.0509 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -130:sc= 0.576 (180deg=-3.9!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.44 USER MOD Single : A 48 GLN : amide:sc= -2.29! K(o=-2.3!,f=-0.11) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= -0.0504 (180deg=-0.551) USER MOD Single : A 66 THR OG1 : rot 90:sc= 0.761 USER MOD Single : A 67 CYS SG : rot -44:sc= 0.997 USER MOD Single : A 70 ASN : amide:sc= -1.72! C(o=-1.7!,f=-6.8!) USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= -0.0857 (180deg=-0.603) USER MOD Single : A 73 GLN : amide:sc= -2.56! K(o=-2.6!,f=-0.75) USER MOD Single : A 74 SER OG : rot 110:sc= -0.539 USER MOD Single : A 77 CYS SG : rot -20:sc= -0.308 USER MOD Single : A 80 CYS SG : rot -140:sc= -0.158 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.022 USER MOD Single : B 4 SER OG : rot -31:sc= 0.0131 USER MOD Single : B 5 GLN : amide:sc= -0.0298 K(o=-0.03,f=-1.7!) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= -0.621 K(o=-0.62,f=-0.078) USER MOD Single : B 15 MET CE :methyl -155:sc= -2.71! (180deg=-4.79!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot -150:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ -105:sc= 0.0524 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ -127:sc= 0.507 (180deg=-3.88!) USER MOD Single : B 43 TYR OH : rot 180:sc= -0.0413 USER MOD Single : B 48 GLN : amide:sc= -2.45! K(o=-2.4!,f=-0.15) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.834) USER MOD Single : B 64 LYS NZ :NH3+ 163:sc= -0.0583 (180deg=-0.554) USER MOD Single : B 66 THR OG1 : rot 62:sc= 0.898 USER MOD Single : B 67 CYS SG : rot -49:sc= 0.955 USER MOD Single : B 70 ASN : amide:sc= -1.7! C(o=-1.7!,f=-6.7!) USER MOD Single : B 72 LYS NZ :NH3+ -159:sc= -0.0838 (180deg=-0.579) USER MOD Single : B 73 GLN : amide:sc= -2.53! K(o=-2.5!,f=-0.77) USER MOD Single : B 74 SER OG : rot 110:sc= -0.571 USER MOD Single : B 77 CYS SG : rot -18:sc= -0.318 USER MOD Single : B 80 CYS SG : rot -140:sc= -0.147 USER MOD Single : B 85 CYS SG : rot 180:sc= -0.127 USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 4 121.378 -11.251 4.206 1.00 0.63 N ATOM 49 CA SER A 4 121.357 -12.445 3.311 1.00 0.61 C ATOM 50 C SER A 4 122.673 -13.218 3.424 1.00 0.60 C ATOM 51 O SER A 4 123.585 -12.830 4.127 1.00 0.57 O ATOM 52 CB SER A 4 121.161 -11.995 1.863 1.00 0.63 C ATOM 53 OG SER A 4 122.328 -11.313 1.421 1.00 1.51 O ATOM 0 HA SER A 4 120.535 -13.094 3.612 1.00 0.61 H new ATOM 0 HB2 SER A 4 120.966 -12.857 1.225 1.00 0.63 H new ATOM 0 HB3 SER A 4 120.293 -11.340 1.788 1.00 0.63 H new ATOM 0 HG SER A 4 122.754 -10.867 2.182 1.00 1.51 H new ATOM 59 N GLN A 5 122.754 -14.326 2.739 1.00 0.63 N ATOM 60 CA GLN A 5 123.977 -15.175 2.787 1.00 0.64 C ATOM 61 C GLN A 5 125.170 -14.416 2.207 1.00 0.60 C ATOM 62 O GLN A 5 126.310 -14.760 2.447 1.00 0.59 O ATOM 63 CB GLN A 5 123.743 -16.445 1.964 1.00 0.71 C ATOM 64 CG GLN A 5 122.732 -17.341 2.681 1.00 1.34 C ATOM 65 CD GLN A 5 122.348 -18.509 1.772 1.00 1.60 C ATOM 66 OE1 GLN A 5 122.491 -18.431 0.568 1.00 2.09 O ATOM 67 NE2 GLN A 5 121.867 -19.600 2.302 1.00 2.18 N ATOM 0 H GLN A 5 122.011 -14.684 2.138 1.00 0.63 H new ATOM 0 HA GLN A 5 124.188 -15.434 3.824 1.00 0.64 H new ATOM 0 HB2 GLN A 5 123.374 -16.185 0.972 1.00 0.71 H new ATOM 0 HB3 GLN A 5 124.683 -16.979 1.825 1.00 0.71 H new ATOM 0 HG2 GLN A 5 123.158 -17.716 3.611 1.00 1.34 H new ATOM 0 HG3 GLN A 5 121.845 -16.766 2.946 1.00 1.34 H new ATOM 0 HE21 GLN A 5 121.747 -19.666 3.313 1.00 2.18 H new ATOM 0 HE22 GLN A 5 121.611 -20.387 1.706 1.00 2.18 H new ATOM 76 N LYS A 6 124.924 -13.392 1.436 1.00 0.59 N ATOM 77 CA LYS A 6 126.045 -12.621 0.833 1.00 0.57 C ATOM 78 C LYS A 6 126.921 -12.039 1.942 1.00 0.51 C ATOM 79 O LYS A 6 128.126 -11.969 1.816 1.00 0.50 O ATOM 80 CB LYS A 6 125.467 -11.482 -0.012 1.00 0.58 C ATOM 81 CG LYS A 6 124.792 -12.072 -1.251 1.00 0.65 C ATOM 82 CD LYS A 6 124.208 -10.946 -2.107 1.00 0.81 C ATOM 83 CE LYS A 6 123.536 -11.550 -3.341 1.00 1.26 C ATOM 84 NZ LYS A 6 123.122 -10.462 -4.269 1.00 2.02 N ATOM 0 H LYS A 6 123.991 -13.056 1.198 1.00 0.59 H new ATOM 0 HA LYS A 6 126.649 -13.277 0.206 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.747 -10.909 0.572 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.259 -10.793 -0.307 1.00 0.58 H new ATOM 0 HG2 LYS A 6 125.514 -12.646 -1.832 1.00 0.65 H new ATOM 0 HG3 LYS A 6 124.002 -12.762 -0.953 1.00 0.65 H new ATOM 0 HD2 LYS A 6 123.485 -10.371 -1.529 1.00 0.81 H new ATOM 0 HD3 LYS A 6 124.996 -10.256 -2.408 1.00 0.81 H new ATOM 0 HE2 LYS A 6 124.223 -12.230 -3.845 1.00 1.26 H new ATOM 0 HE3 LYS A 6 122.668 -12.138 -3.043 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 122.665 -10.875 -5.107 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 122.452 -9.830 -3.786 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 123.959 -9.919 -4.563 1.00 2.02 H new ATOM 98 N HIS A 7 126.330 -11.608 3.019 1.00 0.49 N ATOM 99 CA HIS A 7 127.143 -11.017 4.117 1.00 0.45 C ATOM 100 C HIS A 7 128.154 -12.038 4.645 1.00 0.45 C ATOM 101 O HIS A 7 129.330 -11.753 4.759 1.00 0.43 O ATOM 102 CB HIS A 7 126.204 -10.576 5.248 1.00 0.45 C ATOM 103 CG HIS A 7 126.996 -10.216 6.480 1.00 0.42 C ATOM 104 ND1 HIS A 7 127.342 -8.908 6.792 1.00 0.38 N ATOM 105 CD2 HIS A 7 127.511 -10.991 7.492 1.00 0.45 C ATOM 106 CE1 HIS A 7 128.031 -8.936 7.949 1.00 0.38 C ATOM 107 NE2 HIS A 7 128.161 -10.180 8.412 1.00 0.42 N ATOM 0 H HIS A 7 125.324 -11.639 3.187 1.00 0.49 H new ATOM 0 HA HIS A 7 127.694 -10.157 3.736 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.613 -9.719 4.925 1.00 0.45 H new ATOM 0 HB3 HIS A 7 125.503 -11.378 5.480 1.00 0.45 H new ATOM 0 HD2 HIS A 7 127.423 -12.065 7.561 1.00 0.45 H new ATOM 0 HE1 HIS A 7 128.429 -8.060 8.440 1.00 0.38 H new ATOM 0 HE2 HIS A 7 128.638 -10.474 9.264 1.00 0.42 H new ATOM 115 N ARG A 8 127.714 -13.226 4.975 1.00 0.48 N ATOM 116 CA ARG A 8 128.648 -14.259 5.500 1.00 0.50 C ATOM 117 C ARG A 8 129.579 -14.743 4.389 1.00 0.51 C ATOM 118 O ARG A 8 130.726 -15.071 4.621 1.00 0.51 O ATOM 119 CB ARG A 8 127.835 -15.434 6.045 1.00 0.55 C ATOM 120 CG ARG A 8 127.104 -14.988 7.312 1.00 0.57 C ATOM 121 CD ARG A 8 126.336 -16.168 7.913 1.00 1.00 C ATOM 122 NE ARG A 8 125.298 -15.659 8.871 1.00 1.69 N ATOM 123 CZ ARG A 8 125.610 -14.867 9.865 1.00 2.27 C ATOM 124 NH1 ARG A 8 126.859 -14.656 10.180 1.00 2.42 N ATOM 125 NH2 ARG A 8 124.662 -14.329 10.584 1.00 3.21 N ATOM 0 H ARG A 8 126.741 -13.523 4.902 1.00 0.48 H new ATOM 0 HA ARG A 8 129.254 -13.828 6.297 1.00 0.50 H new ATOM 0 HB2 ARG A 8 127.119 -15.775 5.297 1.00 0.55 H new ATOM 0 HB3 ARG A 8 128.491 -16.276 6.265 1.00 0.55 H new ATOM 0 HG2 ARG A 8 127.819 -14.601 8.038 1.00 0.57 H new ATOM 0 HG3 ARG A 8 126.416 -14.176 7.078 1.00 0.57 H new ATOM 0 HD2 ARG A 8 125.861 -16.747 7.121 1.00 1.00 H new ATOM 0 HD3 ARG A 8 127.024 -16.838 8.429 1.00 1.00 H new ATOM 0 HE ARG A 8 124.325 -15.938 8.744 1.00 1.69 H new ATOM 0 HH11 ARG A 8 127.602 -15.110 9.650 1.00 2.42 H new ATOM 0 HH12 ARG A 8 127.092 -14.037 10.957 1.00 2.42 H new ATOM 0 HH21 ARG A 8 123.685 -14.527 10.370 1.00 3.21 H new ATOM 0 HH22 ARG A 8 124.899 -13.711 11.360 1.00 3.21 H new ATOM 139 N ASP A 9 129.094 -14.791 3.186 1.00 0.52 N ATOM 140 CA ASP A 9 129.948 -15.255 2.060 1.00 0.54 C ATOM 141 C ASP A 9 131.028 -14.212 1.778 1.00 0.49 C ATOM 142 O ASP A 9 132.160 -14.537 1.479 1.00 0.49 O ATOM 143 CB ASP A 9 129.092 -15.448 0.808 1.00 0.61 C ATOM 144 CG ASP A 9 128.173 -16.657 0.990 1.00 0.68 C ATOM 145 OD1 ASP A 9 128.507 -17.517 1.789 1.00 0.67 O ATOM 146 OD2 ASP A 9 127.149 -16.703 0.328 1.00 0.76 O ATOM 0 H ASP A 9 128.142 -14.529 2.931 1.00 0.52 H new ATOM 0 HA ASP A 9 130.414 -16.203 2.329 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.498 -14.553 0.621 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.732 -15.594 -0.062 1.00 0.61 H new ATOM 151 N PHE A 10 130.681 -12.960 1.859 1.00 0.46 N ATOM 152 CA PHE A 10 131.679 -11.891 1.582 1.00 0.43 C ATOM 153 C PHE A 10 132.804 -11.922 2.626 1.00 0.38 C ATOM 154 O PHE A 10 133.970 -11.855 2.295 1.00 0.36 O ATOM 155 CB PHE A 10 130.968 -10.536 1.635 1.00 0.45 C ATOM 156 CG PHE A 10 131.904 -9.445 1.170 1.00 0.43 C ATOM 157 CD1 PHE A 10 132.195 -9.312 -0.193 1.00 0.44 C ATOM 158 CD2 PHE A 10 132.470 -8.560 2.097 1.00 0.43 C ATOM 159 CE1 PHE A 10 133.054 -8.296 -0.629 1.00 0.44 C ATOM 160 CE2 PHE A 10 133.330 -7.546 1.660 1.00 0.43 C ATOM 161 CZ PHE A 10 133.622 -7.413 0.297 1.00 0.43 C ATOM 0 H PHE A 10 129.748 -12.629 2.105 1.00 0.46 H new ATOM 0 HA PHE A 10 132.118 -12.051 0.597 1.00 0.43 H new ATOM 0 HB2 PHE A 10 130.079 -10.557 1.005 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.633 -10.331 2.652 1.00 0.45 H new ATOM 0 HD1 PHE A 10 131.757 -9.993 -0.908 1.00 0.44 H new ATOM 0 HD2 PHE A 10 132.243 -8.660 3.148 1.00 0.43 H new ATOM 0 HE1 PHE A 10 133.279 -8.193 -1.680 1.00 0.44 H new ATOM 0 HE2 PHE A 10 133.769 -6.866 2.375 1.00 0.43 H new ATOM 0 HZ PHE A 10 134.285 -6.630 -0.040 1.00 0.43 H new ATOM 171 N VAL A 11 132.462 -12.002 3.885 1.00 0.37 N ATOM 172 CA VAL A 11 133.508 -12.013 4.955 1.00 0.35 C ATOM 173 C VAL A 11 134.041 -13.432 5.190 1.00 0.37 C ATOM 174 O VAL A 11 134.756 -13.677 6.141 1.00 0.38 O ATOM 175 CB VAL A 11 132.897 -11.481 6.250 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.304 -10.095 5.992 1.00 0.44 C ATOM 177 CG2 VAL A 11 131.791 -12.428 6.715 1.00 0.40 C ATOM 0 H VAL A 11 131.501 -12.060 4.221 1.00 0.37 H new ATOM 0 HA VAL A 11 134.339 -11.383 4.639 1.00 0.35 H new ATOM 0 HB VAL A 11 133.666 -11.414 7.020 1.00 0.37 H new ATOM 0 HG11 VAL A 11 131.866 -9.709 6.913 1.00 0.44 H new ATOM 0 HG12 VAL A 11 133.090 -9.420 5.654 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.532 -10.166 5.225 1.00 0.44 H new ATOM 0 HG21 VAL A 11 131.353 -12.050 7.639 1.00 0.40 H new ATOM 0 HG22 VAL A 11 131.020 -12.491 5.948 1.00 0.40 H new ATOM 0 HG23 VAL A 11 132.210 -13.419 6.890 1.00 0.40 H new ATOM 187 N ALA A 12 133.716 -14.363 4.328 1.00 0.41 N ATOM 188 CA ALA A 12 134.220 -15.767 4.492 1.00 0.48 C ATOM 189 C ALA A 12 135.300 -16.058 3.442 1.00 0.46 C ATOM 190 O ALA A 12 136.000 -17.048 3.518 1.00 0.49 O ATOM 191 CB ALA A 12 133.060 -16.750 4.313 1.00 0.54 C ATOM 0 H ALA A 12 133.121 -14.213 3.513 1.00 0.41 H new ATOM 0 HA ALA A 12 134.646 -15.881 5.489 1.00 0.48 H new ATOM 0 HB1 ALA A 12 133.426 -17.770 4.432 1.00 0.54 H new ATOM 0 HB2 ALA A 12 132.294 -16.549 5.062 1.00 0.54 H new ATOM 0 HB3 ALA A 12 132.633 -16.632 3.317 1.00 0.54 H new ATOM 197 N GLU A 13 135.445 -15.201 2.467 1.00 0.43 N ATOM 198 CA GLU A 13 136.485 -15.426 1.418 1.00 0.43 C ATOM 199 C GLU A 13 136.847 -14.079 0.777 1.00 0.40 C ATOM 200 O GLU A 13 136.020 -13.190 0.713 1.00 0.37 O ATOM 201 CB GLU A 13 135.927 -16.370 0.349 1.00 0.46 C ATOM 202 CG GLU A 13 134.523 -15.911 -0.052 1.00 0.48 C ATOM 203 CD GLU A 13 134.020 -16.762 -1.219 1.00 0.61 C ATOM 204 OE1 GLU A 13 134.818 -17.493 -1.781 1.00 1.26 O ATOM 205 OE2 GLU A 13 132.843 -16.668 -1.531 1.00 1.05 O ATOM 0 H GLU A 13 134.889 -14.354 2.350 1.00 0.43 H new ATOM 0 HA GLU A 13 137.375 -15.870 1.864 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.582 -16.378 -0.522 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.893 -17.390 0.731 1.00 0.46 H new ATOM 0 HG2 GLU A 13 133.844 -16.000 0.796 1.00 0.48 H new ATOM 0 HG3 GLU A 13 134.541 -14.859 -0.337 1.00 0.48 H new ATOM 212 N PRO A 14 138.054 -13.919 0.283 1.00 0.42 N ATOM 213 CA PRO A 14 138.473 -12.651 -0.374 1.00 0.40 C ATOM 214 C PRO A 14 137.350 -12.071 -1.246 1.00 0.36 C ATOM 215 O PRO A 14 136.422 -12.764 -1.614 1.00 0.36 O ATOM 216 CB PRO A 14 139.668 -13.076 -1.235 1.00 0.45 C ATOM 217 CG PRO A 14 140.273 -14.251 -0.520 1.00 0.49 C ATOM 218 CD PRO A 14 139.144 -14.911 0.296 1.00 0.48 C ATOM 0 HA PRO A 14 138.716 -11.867 0.344 1.00 0.40 H new ATOM 0 HB2 PRO A 14 139.351 -13.349 -2.241 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.388 -12.264 -1.337 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.699 -14.958 -1.232 1.00 0.49 H new ATOM 0 HG3 PRO A 14 141.084 -13.929 0.133 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.829 -15.853 -0.152 1.00 0.48 H new ATOM 0 HD3 PRO A 14 139.467 -15.133 1.313 1.00 0.48 H new ATOM 226 N MET A 15 137.424 -10.811 -1.582 1.00 0.35 N ATOM 227 CA MET A 15 136.357 -10.201 -2.432 1.00 0.35 C ATOM 228 C MET A 15 136.739 -10.339 -3.908 1.00 0.36 C ATOM 229 O MET A 15 135.904 -10.264 -4.787 1.00 0.39 O ATOM 230 CB MET A 15 136.209 -8.721 -2.077 1.00 0.37 C ATOM 231 CG MET A 15 137.589 -8.066 -2.042 1.00 0.41 C ATOM 232 SD MET A 15 137.401 -6.265 -2.054 1.00 0.57 S ATOM 233 CE MET A 15 137.207 -6.034 -0.270 1.00 0.43 C ATOM 0 H MET A 15 138.175 -10.178 -1.306 1.00 0.35 H new ATOM 0 HA MET A 15 135.411 -10.713 -2.254 1.00 0.35 H new ATOM 0 HB2 MET A 15 135.576 -8.222 -2.810 1.00 0.37 H new ATOM 0 HB3 MET A 15 135.720 -8.615 -1.109 1.00 0.37 H new ATOM 0 HG2 MET A 15 138.130 -8.380 -1.150 1.00 0.41 H new ATOM 0 HG3 MET A 15 138.178 -8.387 -2.901 1.00 0.41 H new ATOM 0 HE1 MET A 15 136.638 -5.124 -0.081 1.00 0.43 H new ATOM 0 HE2 MET A 15 136.676 -6.888 0.152 1.00 0.43 H new ATOM 0 HE3 MET A 15 138.189 -5.952 0.195 1.00 0.43 H new ATOM 243 N GLY A 16 137.999 -10.546 -4.183 1.00 0.37 N ATOM 244 CA GLY A 16 138.449 -10.697 -5.597 1.00 0.40 C ATOM 245 C GLY A 16 137.915 -9.542 -6.448 1.00 0.40 C ATOM 246 O GLY A 16 137.902 -8.402 -6.029 1.00 0.38 O ATOM 0 H GLY A 16 138.740 -10.617 -3.485 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.538 -10.716 -5.640 1.00 0.40 H new ATOM 0 HA3 GLY A 16 138.097 -11.647 -5.999 1.00 0.40 H new ATOM 250 N GLU A 17 137.492 -9.834 -7.652 1.00 0.41 N ATOM 251 CA GLU A 17 136.975 -8.766 -8.566 1.00 0.42 C ATOM 252 C GLU A 17 135.451 -8.831 -8.627 1.00 0.40 C ATOM 253 O GLU A 17 134.846 -8.417 -9.596 1.00 0.40 O ATOM 254 CB GLU A 17 137.538 -8.994 -9.970 1.00 0.47 C ATOM 255 CG GLU A 17 139.065 -8.899 -9.935 1.00 0.52 C ATOM 256 CD GLU A 17 139.622 -9.127 -11.341 1.00 0.57 C ATOM 257 OE1 GLU A 17 139.828 -10.276 -11.696 1.00 0.76 O ATOM 258 OE2 GLU A 17 139.835 -8.150 -12.041 1.00 0.85 O ATOM 0 H GLU A 17 137.482 -10.775 -8.046 1.00 0.41 H new ATOM 0 HA GLU A 17 137.283 -7.790 -8.191 1.00 0.42 H new ATOM 0 HB2 GLU A 17 137.233 -9.973 -10.340 1.00 0.47 H new ATOM 0 HB3 GLU A 17 137.134 -8.253 -10.659 1.00 0.47 H new ATOM 0 HG2 GLU A 17 139.371 -7.920 -9.565 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.471 -9.641 -9.247 1.00 0.52 H new ATOM 265 N LYS A 18 134.821 -9.357 -7.614 1.00 0.38 N ATOM 266 CA LYS A 18 133.337 -9.453 -7.637 1.00 0.36 C ATOM 267 C LYS A 18 132.747 -8.037 -7.743 1.00 0.32 C ATOM 268 O LYS A 18 133.337 -7.084 -7.274 1.00 0.31 O ATOM 269 CB LYS A 18 132.870 -10.129 -6.344 1.00 0.36 C ATOM 270 CG LYS A 18 133.287 -11.607 -6.363 1.00 0.45 C ATOM 271 CD LYS A 18 133.269 -12.170 -4.941 1.00 1.17 C ATOM 272 CE LYS A 18 131.883 -11.969 -4.328 1.00 1.44 C ATOM 273 NZ LYS A 18 131.756 -12.813 -3.107 1.00 2.01 N ATOM 0 H LYS A 18 135.269 -9.723 -6.774 1.00 0.38 H new ATOM 0 HA LYS A 18 133.003 -10.041 -8.492 1.00 0.36 H new ATOM 0 HB2 LYS A 18 133.306 -9.628 -5.480 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.787 -10.046 -6.248 1.00 0.36 H new ATOM 0 HG2 LYS A 18 132.609 -12.177 -6.998 1.00 0.45 H new ATOM 0 HG3 LYS A 18 134.285 -11.707 -6.791 1.00 0.45 H new ATOM 0 HD2 LYS A 18 133.521 -13.230 -4.956 1.00 1.17 H new ATOM 0 HD3 LYS A 18 134.023 -11.671 -4.332 1.00 1.17 H new ATOM 0 HE2 LYS A 18 131.734 -10.919 -4.075 1.00 1.44 H new ATOM 0 HE3 LYS A 18 131.111 -12.236 -5.050 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 130.814 -12.678 -2.688 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 131.881 -13.813 -3.362 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 132.484 -12.538 -2.417 1.00 2.01 H new ATOM 287 N PRO A 19 131.606 -7.888 -8.380 1.00 0.31 N ATOM 288 CA PRO A 19 130.961 -6.551 -8.573 1.00 0.29 C ATOM 289 C PRO A 19 130.600 -5.855 -7.254 1.00 0.25 C ATOM 290 O PRO A 19 130.469 -6.477 -6.218 1.00 0.24 O ATOM 291 CB PRO A 19 129.695 -6.859 -9.404 1.00 0.32 C ATOM 292 CG PRO A 19 129.439 -8.321 -9.211 1.00 0.33 C ATOM 293 CD PRO A 19 130.804 -8.968 -8.984 1.00 0.34 C ATOM 0 HA PRO A 19 131.641 -5.855 -9.064 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.848 -6.264 -9.064 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.849 -6.623 -10.457 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.781 -8.492 -8.359 1.00 0.33 H new ATOM 0 HG3 PRO A 19 128.946 -8.748 -10.084 1.00 0.33 H new ATOM 0 HD2 PRO A 19 130.733 -9.832 -8.323 1.00 0.34 H new ATOM 0 HD3 PRO A 19 131.242 -9.317 -9.919 1.00 0.34 H new ATOM 301 N VAL A 20 130.443 -4.559 -7.302 1.00 0.25 N ATOM 302 CA VAL A 20 130.094 -3.789 -6.077 1.00 0.23 C ATOM 303 C VAL A 20 128.766 -4.284 -5.498 1.00 0.21 C ATOM 304 O VAL A 20 128.619 -4.467 -4.307 1.00 0.23 O ATOM 305 CB VAL A 20 129.986 -2.303 -6.433 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.874 -2.091 -7.465 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.662 -1.497 -5.175 1.00 0.29 C ATOM 0 H VAL A 20 130.543 -3.997 -8.147 1.00 0.25 H new ATOM 0 HA VAL A 20 130.872 -3.932 -5.328 1.00 0.23 H new ATOM 0 HB VAL A 20 130.936 -1.970 -6.851 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.804 -1.032 -7.712 1.00 0.32 H new ATOM 0 HG12 VAL A 20 129.101 -2.660 -8.367 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.924 -2.430 -7.051 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.585 -0.440 -5.430 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.715 -1.839 -4.758 1.00 0.29 H new ATOM 0 HG23 VAL A 20 130.454 -1.636 -4.439 1.00 0.29 H new ATOM 317 N GLY A 21 127.790 -4.479 -6.347 1.00 0.23 N ATOM 318 CA GLY A 21 126.453 -4.935 -5.876 1.00 0.21 C ATOM 319 C GLY A 21 126.583 -6.212 -5.045 1.00 0.20 C ATOM 320 O GLY A 21 125.610 -6.711 -4.517 1.00 0.19 O ATOM 0 H GLY A 21 127.865 -4.340 -7.355 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.985 -4.152 -5.279 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.802 -5.116 -6.731 1.00 0.21 H new ATOM 324 N SER A 22 127.765 -6.749 -4.910 1.00 0.20 N ATOM 325 CA SER A 22 127.924 -7.990 -4.099 1.00 0.20 C ATOM 326 C SER A 22 128.025 -7.621 -2.619 1.00 0.19 C ATOM 327 O SER A 22 127.816 -8.442 -1.748 1.00 0.20 O ATOM 328 CB SER A 22 129.197 -8.720 -4.528 1.00 0.23 C ATOM 329 OG SER A 22 129.070 -9.121 -5.885 1.00 1.24 O ATOM 0 H SER A 22 128.623 -6.385 -5.324 1.00 0.20 H new ATOM 0 HA SER A 22 127.062 -8.639 -4.255 1.00 0.20 H new ATOM 0 HB2 SER A 22 130.062 -8.068 -4.408 1.00 0.23 H new ATOM 0 HB3 SER A 22 129.363 -9.590 -3.893 1.00 0.23 H new ATOM 0 HG SER A 22 129.588 -9.939 -6.034 1.00 1.24 H new ATOM 335 N LEU A 23 128.344 -6.390 -2.326 1.00 0.17 N ATOM 336 CA LEU A 23 128.460 -5.972 -0.901 1.00 0.18 C ATOM 337 C LEU A 23 127.085 -6.038 -0.232 1.00 0.18 C ATOM 338 O LEU A 23 126.083 -5.642 -0.793 1.00 0.17 O ATOM 339 CB LEU A 23 129.001 -4.542 -0.833 1.00 0.18 C ATOM 340 CG LEU A 23 130.416 -4.497 -1.429 1.00 0.21 C ATOM 341 CD1 LEU A 23 130.851 -3.039 -1.583 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.410 -5.240 -0.514 1.00 0.24 C ATOM 0 H LEU A 23 128.529 -5.657 -3.011 1.00 0.17 H new ATOM 0 HA LEU A 23 129.143 -6.642 -0.380 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.343 -3.867 -1.381 1.00 0.18 H new ATOM 0 HB3 LEU A 23 129.020 -4.199 0.201 1.00 0.18 H new ATOM 0 HG LEU A 23 130.407 -4.986 -2.403 1.00 0.21 H new ATOM 0 HD11 LEU A 23 131.855 -3.002 -2.006 1.00 0.23 H new ATOM 0 HD12 LEU A 23 130.158 -2.521 -2.246 1.00 0.23 H new ATOM 0 HD13 LEU A 23 130.850 -2.554 -0.607 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.408 -5.199 -0.951 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.424 -4.767 0.468 1.00 0.24 H new ATOM 0 HD23 LEU A 23 131.102 -6.280 -0.411 1.00 0.24 H new ATOM 354 N ALA A 24 127.042 -6.541 0.966 1.00 0.18 N ATOM 355 CA ALA A 24 125.738 -6.639 1.680 1.00 0.19 C ATOM 356 C ALA A 24 125.192 -5.236 1.960 1.00 0.20 C ATOM 357 O ALA A 24 125.900 -4.350 2.395 1.00 0.20 O ATOM 358 CB ALA A 24 125.930 -7.389 2.998 1.00 0.21 C ATOM 0 H ALA A 24 127.850 -6.888 1.483 1.00 0.18 H new ATOM 0 HA ALA A 24 125.027 -7.181 1.056 1.00 0.19 H new ATOM 0 HB1 ALA A 24 124.975 -7.460 3.519 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.308 -8.391 2.795 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.645 -6.852 3.622 1.00 0.21 H new ATOM 364 N GLY A 25 123.927 -5.039 1.704 1.00 0.20 N ATOM 365 CA GLY A 25 123.301 -3.701 1.939 1.00 0.21 C ATOM 366 C GLY A 25 123.259 -2.923 0.621 1.00 0.21 C ATOM 367 O GLY A 25 122.477 -2.008 0.454 1.00 0.22 O ATOM 0 H GLY A 25 123.294 -5.751 1.340 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.293 -3.823 2.335 1.00 0.21 H new ATOM 0 HA3 GLY A 25 123.871 -3.146 2.684 1.00 0.21 H new ATOM 371 N ILE A 26 124.088 -3.288 -0.323 1.00 0.20 N ATOM 372 CA ILE A 26 124.093 -2.581 -1.641 1.00 0.21 C ATOM 373 C ILE A 26 123.272 -3.410 -2.624 1.00 0.23 C ATOM 374 O ILE A 26 123.656 -4.506 -2.982 1.00 0.25 O ATOM 375 CB ILE A 26 125.532 -2.467 -2.155 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.421 -1.811 -1.087 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.556 -1.625 -3.433 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.810 -0.485 -0.617 1.00 0.24 C ATOM 0 H ILE A 26 124.764 -4.047 -0.238 1.00 0.20 H new ATOM 0 HA ILE A 26 123.671 -1.581 -1.536 1.00 0.21 H new ATOM 0 HB ILE A 26 125.913 -3.465 -2.371 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.537 -2.485 -0.238 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.417 -1.635 -1.493 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.580 -1.545 -3.797 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.937 -2.100 -4.194 1.00 0.25 H new ATOM 0 HG23 ILE A 26 125.168 -0.629 -3.220 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.454 -0.036 0.139 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.717 0.194 -1.465 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.824 -0.670 -0.191 1.00 0.24 H new ATOM 390 N GLY A 27 122.145 -2.919 -3.073 1.00 0.24 N ATOM 391 CA GLY A 27 121.322 -3.709 -4.035 1.00 0.28 C ATOM 392 C GLY A 27 121.670 -3.310 -5.470 1.00 0.28 C ATOM 393 O GLY A 27 122.510 -2.464 -5.707 1.00 0.27 O ATOM 0 H GLY A 27 121.761 -2.010 -2.816 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.502 -4.774 -3.891 1.00 0.28 H new ATOM 0 HA3 GLY A 27 120.262 -3.536 -3.847 1.00 0.28 H new ATOM 397 N GLU A 28 121.038 -3.930 -6.427 1.00 0.30 N ATOM 398 CA GLU A 28 121.339 -3.607 -7.851 1.00 0.32 C ATOM 399 C GLU A 28 121.116 -2.116 -8.118 1.00 0.32 C ATOM 400 O GLU A 28 121.872 -1.489 -8.833 1.00 0.34 O ATOM 401 CB GLU A 28 120.428 -4.427 -8.769 1.00 0.36 C ATOM 402 CG GLU A 28 120.831 -5.902 -8.712 1.00 0.39 C ATOM 403 CD GLU A 28 119.916 -6.715 -9.631 1.00 1.28 C ATOM 404 OE1 GLU A 28 118.935 -6.160 -10.098 1.00 2.01 O ATOM 405 OE2 GLU A 28 120.212 -7.877 -9.852 1.00 1.65 O ATOM 0 H GLU A 28 120.326 -4.647 -6.285 1.00 0.30 H new ATOM 0 HA GLU A 28 122.382 -3.852 -8.052 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.388 -4.312 -8.463 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.501 -4.059 -9.793 1.00 0.36 H new ATOM 0 HG2 GLU A 28 121.870 -6.019 -9.020 1.00 0.39 H new ATOM 0 HG3 GLU A 28 120.758 -6.271 -7.689 1.00 0.39 H new ATOM 412 N VAL A 29 120.084 -1.540 -7.566 1.00 0.31 N ATOM 413 CA VAL A 29 119.830 -0.092 -7.817 1.00 0.33 C ATOM 414 C VAL A 29 120.954 0.746 -7.197 1.00 0.33 C ATOM 415 O VAL A 29 121.479 1.650 -7.815 1.00 0.35 O ATOM 416 CB VAL A 29 118.482 0.303 -7.202 1.00 0.34 C ATOM 417 CG1 VAL A 29 118.319 1.828 -7.233 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.351 -0.349 -8.002 1.00 0.35 C ATOM 0 H VAL A 29 119.410 -2.004 -6.957 1.00 0.31 H new ATOM 0 HA VAL A 29 119.803 0.092 -8.891 1.00 0.33 H new ATOM 0 HB VAL A 29 118.445 -0.038 -6.167 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.359 2.100 -6.794 1.00 0.38 H new ATOM 0 HG12 VAL A 29 119.123 2.292 -6.662 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.359 2.177 -8.265 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.391 -0.071 -7.568 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.394 -0.008 -9.037 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.462 -1.433 -7.972 1.00 0.35 H new ATOM 428 N LEU A 30 121.323 0.458 -5.979 1.00 0.32 N ATOM 429 CA LEU A 30 122.403 1.244 -5.318 1.00 0.32 C ATOM 430 C LEU A 30 123.725 1.014 -6.048 1.00 0.32 C ATOM 431 O LEU A 30 124.529 1.914 -6.203 1.00 0.33 O ATOM 432 CB LEU A 30 122.550 0.800 -3.860 1.00 0.32 C ATOM 433 CG LEU A 30 121.241 1.038 -3.094 1.00 0.35 C ATOM 434 CD1 LEU A 30 121.393 0.508 -1.663 1.00 0.36 C ATOM 435 CD2 LEU A 30 120.915 2.545 -3.060 1.00 0.40 C ATOM 0 H LEU A 30 120.922 -0.289 -5.412 1.00 0.32 H new ATOM 0 HA LEU A 30 122.144 2.302 -5.352 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.815 -0.256 -3.820 1.00 0.32 H new ATOM 0 HB3 LEU A 30 123.362 1.351 -3.385 1.00 0.32 H new ATOM 0 HG LEU A 30 120.427 0.514 -3.595 1.00 0.35 H new ATOM 0 HD11 LEU A 30 120.467 0.674 -1.113 1.00 0.36 H new ATOM 0 HD12 LEU A 30 121.612 -0.559 -1.692 1.00 0.36 H new ATOM 0 HD13 LEU A 30 122.209 1.032 -1.166 1.00 0.36 H new ATOM 0 HD21 LEU A 30 119.985 2.704 -2.515 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.723 3.081 -2.563 1.00 0.40 H new ATOM 0 HD23 LEU A 30 120.806 2.917 -4.079 1.00 0.40 H new ATOM 447 N GLY A 31 123.956 -0.184 -6.497 1.00 0.33 N ATOM 448 CA GLY A 31 125.225 -0.475 -7.218 1.00 0.34 C ATOM 449 C GLY A 31 125.315 0.419 -8.454 1.00 0.35 C ATOM 450 O GLY A 31 126.368 0.926 -8.791 1.00 0.35 O ATOM 0 H GLY A 31 123.321 -0.976 -6.397 1.00 0.33 H new ATOM 0 HA2 GLY A 31 126.078 -0.298 -6.563 1.00 0.34 H new ATOM 0 HA3 GLY A 31 125.259 -1.525 -7.510 1.00 0.34 H new ATOM 454 N LYS A 32 124.219 0.616 -9.133 1.00 0.35 N ATOM 455 CA LYS A 32 124.238 1.475 -10.349 1.00 0.37 C ATOM 456 C LYS A 32 124.593 2.914 -9.966 1.00 0.36 C ATOM 457 O LYS A 32 125.320 3.584 -10.671 1.00 0.38 O ATOM 458 CB LYS A 32 122.849 1.453 -11.000 1.00 0.39 C ATOM 459 CG LYS A 32 122.573 0.071 -11.623 1.00 1.18 C ATOM 460 CD LYS A 32 123.163 -0.006 -13.048 1.00 1.37 C ATOM 461 CE LYS A 32 122.147 0.532 -14.063 1.00 2.06 C ATOM 462 NZ LYS A 32 122.822 0.752 -15.373 1.00 2.74 N ATOM 0 H LYS A 32 123.310 0.218 -8.897 1.00 0.35 H new ATOM 0 HA LYS A 32 124.984 1.096 -11.047 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.087 1.683 -10.255 1.00 0.39 H new ATOM 0 HB3 LYS A 32 122.787 2.225 -11.768 1.00 0.39 H new ATOM 0 HG2 LYS A 32 123.009 -0.709 -11.000 1.00 1.18 H new ATOM 0 HG3 LYS A 32 121.499 -0.111 -11.657 1.00 1.18 H new ATOM 0 HD2 LYS A 32 124.085 0.573 -13.101 1.00 1.37 H new ATOM 0 HD3 LYS A 32 123.420 -1.037 -13.289 1.00 1.37 H new ATOM 0 HE2 LYS A 32 121.325 -0.174 -14.180 1.00 2.06 H new ATOM 0 HE3 LYS A 32 121.716 1.466 -13.702 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 122.133 1.117 -16.062 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 123.592 1.441 -15.255 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 123.213 -0.148 -15.718 1.00 2.74 H new ATOM 476 N LYS A 33 124.082 3.407 -8.870 1.00 0.35 N ATOM 477 CA LYS A 33 124.401 4.811 -8.488 1.00 0.36 C ATOM 478 C LYS A 33 125.870 4.904 -8.071 1.00 0.34 C ATOM 479 O LYS A 33 126.584 5.793 -8.489 1.00 0.36 O ATOM 480 CB LYS A 33 123.499 5.241 -7.329 1.00 0.36 C ATOM 481 CG LYS A 33 122.056 5.339 -7.831 1.00 0.39 C ATOM 482 CD LYS A 33 121.137 5.767 -6.686 1.00 0.64 C ATOM 483 CE LYS A 33 119.699 5.861 -7.201 1.00 0.65 C ATOM 484 NZ LYS A 33 118.802 6.304 -6.098 1.00 1.54 N ATOM 0 H LYS A 33 123.466 2.905 -8.231 1.00 0.35 H new ATOM 0 HA LYS A 33 124.229 5.471 -9.338 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.566 4.522 -6.513 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.826 6.203 -6.934 1.00 0.36 H new ATOM 0 HG2 LYS A 33 121.994 6.058 -8.648 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.733 4.377 -8.228 1.00 0.39 H new ATOM 0 HD2 LYS A 33 121.197 5.049 -5.868 1.00 0.64 H new ATOM 0 HD3 LYS A 33 121.457 6.730 -6.288 1.00 0.64 H new ATOM 0 HE2 LYS A 33 119.645 6.564 -8.032 1.00 0.65 H new ATOM 0 HE3 LYS A 33 119.374 4.892 -7.581 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 118.224 5.501 -5.777 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 119.375 6.657 -5.305 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 118.180 7.064 -6.440 1.00 1.54 H new ATOM 498 N LEU A 34 126.342 3.979 -7.281 1.00 0.32 N ATOM 499 CA LEU A 34 127.777 4.016 -6.884 1.00 0.31 C ATOM 500 C LEU A 34 128.622 3.858 -8.152 1.00 0.31 C ATOM 501 O LEU A 34 129.641 4.496 -8.328 1.00 0.33 O ATOM 502 CB LEU A 34 128.076 2.876 -5.905 1.00 0.29 C ATOM 503 CG LEU A 34 127.315 3.095 -4.590 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.525 1.877 -3.681 1.00 0.30 C ATOM 505 CD2 LEU A 34 127.825 4.370 -3.881 1.00 0.34 C ATOM 0 H LEU A 34 125.801 3.205 -6.896 1.00 0.32 H new ATOM 0 HA LEU A 34 128.012 4.960 -6.391 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.787 1.922 -6.347 1.00 0.29 H new ATOM 0 HB3 LEU A 34 129.147 2.826 -5.710 1.00 0.29 H new ATOM 0 HG LEU A 34 126.253 3.218 -4.805 1.00 0.30 H new ATOM 0 HD11 LEU A 34 126.987 2.025 -2.744 1.00 0.30 H new ATOM 0 HD12 LEU A 34 127.149 0.983 -4.178 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.588 1.757 -3.474 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.276 4.513 -2.950 1.00 0.34 H new ATOM 0 HD22 LEU A 34 128.888 4.265 -3.663 1.00 0.34 H new ATOM 0 HD23 LEU A 34 127.671 5.233 -4.529 1.00 0.34 H new ATOM 517 N GLU A 35 128.187 2.999 -9.030 1.00 0.32 N ATOM 518 CA GLU A 35 128.947 2.777 -10.294 1.00 0.34 C ATOM 519 C GLU A 35 129.028 4.098 -11.065 1.00 0.37 C ATOM 520 O GLU A 35 130.055 4.453 -11.606 1.00 0.39 O ATOM 521 CB GLU A 35 128.231 1.718 -11.138 1.00 0.35 C ATOM 522 CG GLU A 35 129.016 1.456 -12.426 1.00 0.93 C ATOM 523 CD GLU A 35 128.293 0.389 -13.252 1.00 1.02 C ATOM 524 OE1 GLU A 35 127.359 -0.199 -12.735 1.00 1.67 O ATOM 525 OE2 GLU A 35 128.692 0.175 -14.385 1.00 1.36 O ATOM 0 H GLU A 35 127.339 2.441 -8.929 1.00 0.32 H new ATOM 0 HA GLU A 35 129.955 2.428 -10.068 1.00 0.34 H new ATOM 0 HB2 GLU A 35 128.131 0.794 -10.569 1.00 0.35 H new ATOM 0 HB3 GLU A 35 127.223 2.054 -11.379 1.00 0.35 H new ATOM 0 HG2 GLU A 35 129.109 2.377 -13.002 1.00 0.93 H new ATOM 0 HG3 GLU A 35 130.027 1.125 -12.188 1.00 0.93 H new ATOM 532 N GLU A 36 127.952 4.833 -11.100 1.00 0.39 N ATOM 533 CA GLU A 36 127.957 6.140 -11.812 1.00 0.43 C ATOM 534 C GLU A 36 128.857 7.112 -11.046 1.00 0.45 C ATOM 535 O GLU A 36 129.317 8.105 -11.573 1.00 0.49 O ATOM 536 CB GLU A 36 126.526 6.691 -11.873 1.00 0.45 C ATOM 537 CG GLU A 36 126.474 7.935 -12.773 1.00 1.12 C ATOM 538 CD GLU A 36 126.977 9.165 -12.010 1.00 1.39 C ATOM 539 OE1 GLU A 36 126.910 9.156 -10.791 1.00 1.86 O ATOM 540 OE2 GLU A 36 127.425 10.095 -12.659 1.00 2.00 O ATOM 0 H GLU A 36 127.065 4.583 -10.663 1.00 0.39 H new ATOM 0 HA GLU A 36 128.333 6.014 -12.827 1.00 0.43 H new ATOM 0 HB2 GLU A 36 125.850 5.927 -12.257 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.183 6.944 -10.870 1.00 0.45 H new ATOM 0 HG2 GLU A 36 127.085 7.775 -13.662 1.00 1.12 H new ATOM 0 HG3 GLU A 36 125.452 8.103 -13.114 1.00 1.12 H new ATOM 547 N ARG A 37 129.106 6.825 -9.798 1.00 0.42 N ATOM 548 CA ARG A 37 129.966 7.726 -8.976 1.00 0.45 C ATOM 549 C ARG A 37 131.429 7.287 -9.089 1.00 0.42 C ATOM 550 O ARG A 37 132.309 7.889 -8.506 1.00 0.43 O ATOM 551 CB ARG A 37 129.527 7.656 -7.508 1.00 0.45 C ATOM 552 CG ARG A 37 128.118 8.246 -7.332 1.00 0.53 C ATOM 553 CD ARG A 37 128.176 9.779 -7.287 1.00 0.86 C ATOM 554 NE ARG A 37 126.854 10.312 -6.852 1.00 1.42 N ATOM 555 CZ ARG A 37 126.749 11.553 -6.460 1.00 1.88 C ATOM 556 NH1 ARG A 37 127.794 12.334 -6.481 1.00 2.15 N ATOM 557 NH2 ARG A 37 125.601 12.014 -6.047 1.00 2.69 N ATOM 0 H ARG A 37 128.750 6.003 -9.310 1.00 0.42 H new ATOM 0 HA ARG A 37 129.865 8.749 -9.339 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.537 6.620 -7.169 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.235 8.202 -6.885 1.00 0.45 H new ATOM 0 HG2 ARG A 37 127.478 7.925 -8.154 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.671 7.866 -6.413 1.00 0.53 H new ATOM 0 HD2 ARG A 37 128.956 10.104 -6.599 1.00 0.86 H new ATOM 0 HD3 ARG A 37 128.434 10.173 -8.270 1.00 0.86 H new ATOM 0 HE ARG A 37 126.032 9.708 -6.860 1.00 1.42 H new ATOM 0 HH11 ARG A 37 128.693 11.975 -6.804 1.00 2.15 H new ATOM 0 HH12 ARG A 37 127.712 13.304 -6.175 1.00 2.15 H new ATOM 0 HH21 ARG A 37 124.783 11.405 -6.030 1.00 2.69 H new ATOM 0 HH22 ARG A 37 125.521 12.984 -5.741 1.00 2.69 H new ATOM 571 N GLY A 38 131.701 6.261 -9.858 1.00 0.40 N ATOM 572 CA GLY A 38 133.118 5.805 -10.038 1.00 0.39 C ATOM 573 C GLY A 38 133.429 4.597 -9.150 1.00 0.37 C ATOM 574 O GLY A 38 134.518 4.477 -8.625 1.00 0.48 O ATOM 0 H GLY A 38 131.005 5.719 -10.369 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.289 5.545 -11.083 1.00 0.39 H new ATOM 0 HA3 GLY A 38 133.799 6.621 -9.797 1.00 0.39 H new ATOM 578 N PHE A 39 132.497 3.690 -8.985 1.00 0.31 N ATOM 579 CA PHE A 39 132.744 2.473 -8.143 1.00 0.28 C ATOM 580 C PHE A 39 132.244 1.237 -8.895 1.00 0.28 C ATOM 581 O PHE A 39 131.217 0.676 -8.565 1.00 0.28 O ATOM 582 CB PHE A 39 131.970 2.607 -6.837 1.00 0.27 C ATOM 583 CG PHE A 39 132.580 3.694 -5.985 1.00 0.28 C ATOM 584 CD1 PHE A 39 132.128 5.012 -6.113 1.00 0.31 C ATOM 585 CD2 PHE A 39 133.587 3.385 -5.064 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.683 6.023 -5.320 1.00 0.33 C ATOM 587 CE2 PHE A 39 134.144 4.397 -4.271 1.00 0.30 C ATOM 588 CZ PHE A 39 133.693 5.716 -4.400 1.00 0.32 C ATOM 0 H PHE A 39 131.567 3.740 -9.401 1.00 0.31 H new ATOM 0 HA PHE A 39 133.809 2.375 -7.935 1.00 0.28 H new ATOM 0 HB2 PHE A 39 130.926 2.840 -7.046 1.00 0.27 H new ATOM 0 HB3 PHE A 39 131.984 1.660 -6.298 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.350 5.249 -6.824 1.00 0.31 H new ATOM 0 HD2 PHE A 39 133.935 2.367 -4.964 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.332 7.040 -5.418 1.00 0.33 H new ATOM 0 HE2 PHE A 39 134.921 4.159 -3.560 1.00 0.30 H new ATOM 0 HZ PHE A 39 134.124 6.496 -3.790 1.00 0.32 H new ATOM 598 N ASP A 40 132.936 0.824 -9.921 1.00 0.30 N ATOM 599 CA ASP A 40 132.463 -0.357 -10.703 1.00 0.31 C ATOM 600 C ASP A 40 132.841 -1.662 -9.996 1.00 0.29 C ATOM 601 O ASP A 40 132.398 -2.727 -10.379 1.00 0.30 O ATOM 602 CB ASP A 40 133.111 -0.331 -12.089 1.00 0.35 C ATOM 603 CG ASP A 40 134.621 -0.540 -11.948 1.00 0.37 C ATOM 604 OD1 ASP A 40 135.125 -0.342 -10.855 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.246 -0.892 -12.934 1.00 0.41 O ATOM 0 H ASP A 40 133.803 1.249 -10.251 1.00 0.30 H new ATOM 0 HA ASP A 40 131.378 -0.308 -10.790 1.00 0.31 H new ATOM 0 HB2 ASP A 40 132.682 -1.111 -12.718 1.00 0.35 H new ATOM 0 HB3 ASP A 40 132.909 0.621 -12.579 1.00 0.35 H new ATOM 610 N LYS A 41 133.672 -1.598 -8.982 1.00 0.28 N ATOM 611 CA LYS A 41 134.098 -2.847 -8.266 1.00 0.28 C ATOM 612 C LYS A 41 133.964 -2.655 -6.751 1.00 0.23 C ATOM 613 O LYS A 41 134.038 -1.556 -6.239 1.00 0.23 O ATOM 614 CB LYS A 41 135.559 -3.145 -8.624 1.00 0.34 C ATOM 615 CG LYS A 41 135.672 -3.550 -10.106 1.00 0.48 C ATOM 616 CD LYS A 41 135.307 -5.031 -10.293 1.00 0.74 C ATOM 617 CE LYS A 41 135.616 -5.450 -11.733 1.00 0.71 C ATOM 618 NZ LYS A 41 135.452 -6.924 -11.868 1.00 1.56 N ATOM 0 H LYS A 41 134.075 -0.735 -8.618 1.00 0.28 H new ATOM 0 HA LYS A 41 133.463 -3.680 -8.569 1.00 0.28 H new ATOM 0 HB2 LYS A 41 136.175 -2.266 -8.432 1.00 0.34 H new ATOM 0 HB3 LYS A 41 135.940 -3.946 -7.991 1.00 0.34 H new ATOM 0 HG2 LYS A 41 135.011 -2.928 -10.710 1.00 0.48 H new ATOM 0 HG3 LYS A 41 136.687 -3.373 -10.460 1.00 0.48 H new ATOM 0 HD2 LYS A 41 135.871 -5.648 -9.594 1.00 0.74 H new ATOM 0 HD3 LYS A 41 134.250 -5.187 -10.075 1.00 0.74 H new ATOM 0 HE2 LYS A 41 134.949 -4.934 -12.424 1.00 0.71 H new ATOM 0 HE3 LYS A 41 136.633 -5.161 -11.997 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 136.295 -7.327 -12.325 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 135.333 -7.348 -10.926 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 134.613 -7.128 -12.448 1.00 1.56 H new ATOM 632 N ALA A 42 133.743 -3.728 -6.038 1.00 0.21 N ATOM 633 CA ALA A 42 133.572 -3.641 -4.555 1.00 0.20 C ATOM 634 C ALA A 42 134.837 -3.115 -3.865 1.00 0.18 C ATOM 635 O ALA A 42 134.764 -2.283 -2.983 1.00 0.18 O ATOM 636 CB ALA A 42 133.254 -5.034 -4.010 1.00 0.21 C ATOM 0 H ALA A 42 133.673 -4.670 -6.422 1.00 0.21 H new ATOM 0 HA ALA A 42 132.759 -2.945 -4.349 1.00 0.20 H new ATOM 0 HB1 ALA A 42 133.127 -4.981 -2.929 1.00 0.21 H new ATOM 0 HB2 ALA A 42 132.335 -5.402 -4.466 1.00 0.21 H new ATOM 0 HB3 ALA A 42 134.073 -5.713 -4.247 1.00 0.21 H new ATOM 642 N TYR A 43 135.987 -3.614 -4.216 1.00 0.19 N ATOM 643 CA TYR A 43 137.226 -3.156 -3.523 1.00 0.18 C ATOM 644 C TYR A 43 137.372 -1.634 -3.629 1.00 0.17 C ATOM 645 O TYR A 43 138.092 -1.025 -2.867 1.00 0.17 O ATOM 646 CB TYR A 43 138.464 -3.844 -4.107 1.00 0.20 C ATOM 647 CG TYR A 43 138.825 -3.258 -5.449 1.00 0.21 C ATOM 648 CD1 TYR A 43 139.698 -2.172 -5.506 1.00 0.21 C ATOM 649 CD2 TYR A 43 138.310 -3.807 -6.628 1.00 0.24 C ATOM 650 CE1 TYR A 43 140.060 -1.628 -6.733 1.00 0.25 C ATOM 651 CE2 TYR A 43 138.672 -3.258 -7.865 1.00 0.28 C ATOM 652 CZ TYR A 43 139.547 -2.168 -7.918 1.00 0.28 C ATOM 653 OH TYR A 43 139.905 -1.630 -9.138 1.00 0.32 O ATOM 0 H TYR A 43 136.125 -4.313 -4.946 1.00 0.19 H new ATOM 0 HA TYR A 43 137.142 -3.428 -2.471 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.303 -3.734 -3.420 1.00 0.20 H new ATOM 0 HB3 TYR A 43 138.275 -4.912 -4.211 1.00 0.20 H new ATOM 0 HD1 TYR A 43 140.094 -1.752 -4.593 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.636 -4.650 -6.585 1.00 0.24 H new ATOM 0 HE1 TYR A 43 140.738 -0.788 -6.772 1.00 0.25 H new ATOM 0 HE2 TYR A 43 138.275 -3.677 -8.778 1.00 0.28 H new ATOM 0 HH TYR A 43 139.460 -2.125 -9.857 1.00 0.32 H new ATOM 663 N VAL A 44 136.682 -1.008 -4.539 1.00 0.18 N ATOM 664 CA VAL A 44 136.784 0.477 -4.649 1.00 0.18 C ATOM 665 C VAL A 44 135.903 1.092 -3.557 1.00 0.17 C ATOM 666 O VAL A 44 136.180 2.146 -3.015 1.00 0.18 O ATOM 667 CB VAL A 44 136.302 0.931 -6.037 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.496 2.445 -6.198 1.00 0.22 C ATOM 669 CG2 VAL A 44 137.107 0.201 -7.120 1.00 0.24 C ATOM 0 H VAL A 44 136.055 -1.454 -5.208 1.00 0.18 H new ATOM 0 HA VAL A 44 137.818 0.799 -4.524 1.00 0.18 H new ATOM 0 HB VAL A 44 135.243 0.694 -6.138 1.00 0.20 H new ATOM 0 HG11 VAL A 44 136.151 2.753 -7.185 1.00 0.22 H new ATOM 0 HG12 VAL A 44 135.923 2.969 -5.433 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.553 2.690 -6.090 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.767 0.522 -8.105 1.00 0.24 H new ATOM 0 HG22 VAL A 44 138.165 0.436 -7.007 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.962 -0.874 -7.018 1.00 0.24 H new ATOM 679 N VAL A 45 134.839 0.408 -3.231 1.00 0.17 N ATOM 680 CA VAL A 45 133.911 0.901 -2.176 1.00 0.17 C ATOM 681 C VAL A 45 134.539 0.618 -0.813 1.00 0.16 C ATOM 682 O VAL A 45 134.453 1.420 0.096 1.00 0.16 O ATOM 683 CB VAL A 45 132.563 0.185 -2.302 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.679 0.524 -1.099 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.864 0.629 -3.596 1.00 0.20 C ATOM 0 H VAL A 45 134.572 -0.480 -3.656 1.00 0.17 H new ATOM 0 HA VAL A 45 133.743 1.972 -2.287 1.00 0.17 H new ATOM 0 HB VAL A 45 132.731 -0.892 -2.330 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.722 0.012 -1.195 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.173 0.202 -0.182 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.512 1.601 -1.062 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.905 0.119 -3.685 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.701 1.706 -3.570 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.490 0.377 -4.452 1.00 0.20 H new ATOM 695 N LEU A 46 135.213 -0.490 -0.671 1.00 0.17 N ATOM 696 CA LEU A 46 135.886 -0.775 0.624 1.00 0.18 C ATOM 697 C LEU A 46 136.883 0.352 0.865 1.00 0.17 C ATOM 698 O LEU A 46 137.081 0.811 1.972 1.00 0.18 O ATOM 699 CB LEU A 46 136.632 -2.118 0.549 1.00 0.22 C ATOM 700 CG LEU A 46 137.350 -2.409 1.882 1.00 0.25 C ATOM 701 CD1 LEU A 46 136.326 -2.542 3.023 1.00 0.40 C ATOM 702 CD2 LEU A 46 138.180 -3.702 1.762 1.00 0.35 C ATOM 0 H LEU A 46 135.326 -1.204 -1.390 1.00 0.17 H new ATOM 0 HA LEU A 46 135.157 -0.837 1.432 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.929 -2.920 0.325 1.00 0.22 H new ATOM 0 HB3 LEU A 46 137.357 -2.094 -0.264 1.00 0.22 H new ATOM 0 HG LEU A 46 138.018 -1.578 2.109 1.00 0.25 H new ATOM 0 HD11 LEU A 46 136.848 -2.747 3.958 1.00 0.40 H new ATOM 0 HD12 LEU A 46 135.764 -1.613 3.118 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.640 -3.360 2.803 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.684 -3.900 2.708 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.521 -4.536 1.520 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.923 -3.586 0.973 1.00 0.35 H new ATOM 714 N GLY A 47 137.512 0.796 -0.189 1.00 0.17 N ATOM 715 CA GLY A 47 138.506 1.892 -0.073 1.00 0.18 C ATOM 716 C GLY A 47 137.863 3.113 0.584 1.00 0.18 C ATOM 717 O GLY A 47 138.438 3.725 1.460 1.00 0.18 O ATOM 0 H GLY A 47 137.375 0.440 -1.135 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.360 1.559 0.517 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.884 2.157 -1.060 1.00 0.18 H new ATOM 721 N GLN A 48 136.671 3.472 0.185 1.00 0.17 N ATOM 722 CA GLN A 48 136.015 4.653 0.814 1.00 0.18 C ATOM 723 C GLN A 48 135.858 4.392 2.318 1.00 0.17 C ATOM 724 O GLN A 48 136.102 5.255 3.137 1.00 0.18 O ATOM 725 CB GLN A 48 134.637 4.873 0.174 1.00 0.19 C ATOM 726 CG GLN A 48 134.020 6.179 0.692 1.00 0.22 C ATOM 727 CD GLN A 48 134.624 7.375 -0.054 1.00 0.28 C ATOM 728 OE1 GLN A 48 134.186 8.495 0.117 1.00 0.98 O ATOM 729 NE2 GLN A 48 135.619 7.184 -0.879 1.00 1.09 N ATOM 0 H GLN A 48 136.129 3.004 -0.541 1.00 0.17 H new ATOM 0 HA GLN A 48 136.624 5.544 0.660 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.733 4.912 -0.911 1.00 0.19 H new ATOM 0 HB3 GLN A 48 133.981 4.034 0.406 1.00 0.19 H new ATOM 0 HG2 GLN A 48 132.939 6.161 0.553 1.00 0.22 H new ATOM 0 HG3 GLN A 48 134.202 6.278 1.762 1.00 0.22 H new ATOM 0 HE21 GLN A 48 135.988 6.244 -1.024 1.00 1.09 H new ATOM 0 HE22 GLN A 48 136.027 7.975 -1.378 1.00 1.09 H new ATOM 738 N PHE A 49 135.466 3.201 2.687 1.00 0.17 N ATOM 739 CA PHE A 49 135.310 2.874 4.137 1.00 0.17 C ATOM 740 C PHE A 49 136.664 3.061 4.821 1.00 0.18 C ATOM 741 O PHE A 49 136.762 3.570 5.920 1.00 0.19 O ATOM 742 CB PHE A 49 134.850 1.417 4.265 1.00 0.17 C ATOM 743 CG PHE A 49 134.645 1.043 5.718 1.00 0.19 C ATOM 744 CD1 PHE A 49 133.564 1.576 6.432 1.00 0.23 C ATOM 745 CD2 PHE A 49 135.520 0.143 6.345 1.00 0.28 C ATOM 746 CE1 PHE A 49 133.358 1.212 7.768 1.00 0.26 C ATOM 747 CE2 PHE A 49 135.315 -0.217 7.683 1.00 0.31 C ATOM 748 CZ PHE A 49 134.234 0.317 8.395 1.00 0.26 C ATOM 0 H PHE A 49 135.246 2.438 2.046 1.00 0.17 H new ATOM 0 HA PHE A 49 134.572 3.525 4.606 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.921 1.275 3.714 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.591 0.756 3.816 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.889 2.268 5.951 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.352 -0.272 5.796 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.522 1.622 8.316 1.00 0.26 H new ATOM 0 HE2 PHE A 49 135.991 -0.907 8.166 1.00 0.31 H new ATOM 0 HZ PHE A 49 134.076 0.039 9.427 1.00 0.26 H new ATOM 758 N LEU A 50 137.703 2.657 4.163 1.00 0.19 N ATOM 759 CA LEU A 50 139.060 2.808 4.752 1.00 0.21 C ATOM 760 C LEU A 50 139.427 4.305 4.774 1.00 0.21 C ATOM 761 O LEU A 50 140.022 4.792 5.716 1.00 0.23 O ATOM 762 CB LEU A 50 140.062 2.000 3.909 1.00 0.23 C ATOM 763 CG LEU A 50 139.680 0.502 3.933 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.477 -0.265 2.863 1.00 0.28 C ATOM 765 CD2 LEU A 50 139.976 -0.107 5.315 1.00 0.28 C ATOM 0 H LEU A 50 137.676 2.226 3.239 1.00 0.19 H new ATOM 0 HA LEU A 50 139.086 2.429 5.774 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.067 2.367 2.883 1.00 0.23 H new ATOM 0 HB3 LEU A 50 141.071 2.134 4.300 1.00 0.23 H new ATOM 0 HG LEU A 50 138.613 0.419 3.724 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.200 -1.319 2.889 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.252 0.145 1.878 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.544 -0.165 3.063 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.701 -1.162 5.314 1.00 0.28 H new ATOM 0 HD22 LEU A 50 141.039 -0.009 5.536 1.00 0.28 H new ATOM 0 HD23 LEU A 50 139.398 0.418 6.075 1.00 0.28 H new ATOM 777 N VAL A 51 139.089 5.029 3.740 1.00 0.21 N ATOM 778 CA VAL A 51 139.424 6.494 3.678 1.00 0.23 C ATOM 779 C VAL A 51 138.608 7.300 4.706 1.00 0.23 C ATOM 780 O VAL A 51 139.018 8.360 5.138 1.00 0.24 O ATOM 781 CB VAL A 51 139.125 7.019 2.265 1.00 0.25 C ATOM 782 CG1 VAL A 51 139.199 8.552 2.235 1.00 0.28 C ATOM 783 CG2 VAL A 51 140.152 6.453 1.282 1.00 0.27 C ATOM 0 H VAL A 51 138.591 4.670 2.926 1.00 0.21 H new ATOM 0 HA VAL A 51 140.481 6.616 3.913 1.00 0.23 H new ATOM 0 HB VAL A 51 138.121 6.704 1.982 1.00 0.25 H new ATOM 0 HG11 VAL A 51 138.985 8.907 1.227 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.467 8.965 2.929 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.198 8.874 2.528 1.00 0.28 H new ATOM 0 HG21 VAL A 51 139.940 6.825 0.280 1.00 0.27 H new ATOM 0 HG22 VAL A 51 141.153 6.765 1.581 1.00 0.27 H new ATOM 0 HG23 VAL A 51 140.096 5.364 1.284 1.00 0.27 H new ATOM 793 N LEU A 52 137.450 6.827 5.079 1.00 0.22 N ATOM 794 CA LEU A 52 136.608 7.601 6.054 1.00 0.23 C ATOM 795 C LEU A 52 136.975 7.219 7.489 1.00 0.23 C ATOM 796 O LEU A 52 136.240 7.496 8.415 1.00 0.24 O ATOM 797 CB LEU A 52 135.122 7.315 5.809 1.00 0.24 C ATOM 798 CG LEU A 52 134.688 7.865 4.438 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.216 7.509 4.201 1.00 0.31 C ATOM 800 CD2 LEU A 52 134.860 9.399 4.394 1.00 0.27 C ATOM 0 H LEU A 52 137.048 5.946 4.758 1.00 0.22 H new ATOM 0 HA LEU A 52 136.797 8.665 5.909 1.00 0.23 H new ATOM 0 HB2 LEU A 52 134.940 6.241 5.851 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.523 7.771 6.597 1.00 0.24 H new ATOM 0 HG LEU A 52 135.311 7.421 3.661 1.00 0.25 H new ATOM 0 HD11 LEU A 52 132.900 7.895 3.232 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.097 6.426 4.217 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.603 7.953 4.986 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.549 9.772 3.418 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.246 9.856 5.170 1.00 0.27 H new ATOM 0 HD23 LEU A 52 135.907 9.653 4.563 1.00 0.27 H new ATOM 812 N LYS A 53 138.098 6.591 7.683 1.00 0.22 N ATOM 813 CA LYS A 53 138.520 6.196 9.059 1.00 0.23 C ATOM 814 C LYS A 53 137.444 5.334 9.712 1.00 0.24 C ATOM 815 O LYS A 53 137.380 5.216 10.918 1.00 0.30 O ATOM 816 CB LYS A 53 138.786 7.433 9.917 1.00 0.29 C ATOM 817 CG LYS A 53 140.049 8.127 9.408 1.00 0.38 C ATOM 818 CD LYS A 53 140.326 9.362 10.257 1.00 0.49 C ATOM 819 CE LYS A 53 141.584 10.062 9.745 1.00 0.90 C ATOM 820 NZ LYS A 53 141.804 11.317 10.517 1.00 1.70 N ATOM 0 H LYS A 53 138.750 6.331 6.943 1.00 0.22 H new ATOM 0 HA LYS A 53 139.442 5.620 8.983 1.00 0.23 H new ATOM 0 HB2 LYS A 53 137.936 8.114 9.870 1.00 0.29 H new ATOM 0 HB3 LYS A 53 138.908 7.148 10.962 1.00 0.29 H new ATOM 0 HG2 LYS A 53 140.897 7.443 9.454 1.00 0.38 H new ATOM 0 HG3 LYS A 53 139.925 8.411 8.363 1.00 0.38 H new ATOM 0 HD2 LYS A 53 139.476 10.043 10.215 1.00 0.49 H new ATOM 0 HD3 LYS A 53 140.455 9.077 11.301 1.00 0.49 H new ATOM 0 HE2 LYS A 53 142.447 9.404 9.848 1.00 0.90 H new ATOM 0 HE3 LYS A 53 141.480 10.289 8.684 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 142.660 11.793 10.168 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 140.985 11.946 10.397 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 141.921 11.089 11.525 1.00 1.70 H new ATOM 834 N LYS A 54 136.605 4.725 8.917 1.00 0.22 N ATOM 835 CA LYS A 54 135.525 3.847 9.454 1.00 0.25 C ATOM 836 C LYS A 54 134.594 4.649 10.372 1.00 0.27 C ATOM 837 O LYS A 54 133.862 4.081 11.157 1.00 0.33 O ATOM 838 CB LYS A 54 136.157 2.698 10.252 1.00 0.35 C ATOM 839 CG LYS A 54 137.268 2.052 9.421 1.00 0.67 C ATOM 840 CD LYS A 54 137.871 0.874 10.192 1.00 0.83 C ATOM 841 CE LYS A 54 139.042 0.288 9.401 1.00 1.41 C ATOM 842 NZ LYS A 54 139.802 -0.662 10.264 1.00 2.24 N ATOM 0 H LYS A 54 136.623 4.801 7.900 1.00 0.22 H new ATOM 0 HA LYS A 54 134.945 3.449 8.622 1.00 0.25 H new ATOM 0 HB2 LYS A 54 136.562 3.073 11.192 1.00 0.35 H new ATOM 0 HB3 LYS A 54 135.399 1.957 10.505 1.00 0.35 H new ATOM 0 HG2 LYS A 54 136.869 1.708 8.467 1.00 0.67 H new ATOM 0 HG3 LYS A 54 138.042 2.786 9.197 1.00 0.67 H new ATOM 0 HD2 LYS A 54 138.211 1.205 11.173 1.00 0.83 H new ATOM 0 HD3 LYS A 54 137.113 0.109 10.359 1.00 0.83 H new ATOM 0 HE2 LYS A 54 138.674 -0.226 8.513 1.00 1.41 H new ATOM 0 HE3 LYS A 54 139.698 1.087 9.057 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 140.598 -1.060 9.725 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 140.166 -0.158 11.098 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 139.173 -1.431 10.571 1.00 2.24 H new ATOM 856 N ASP A 55 134.580 5.954 10.273 1.00 0.29 N ATOM 857 CA ASP A 55 133.647 6.731 11.142 1.00 0.39 C ATOM 858 C ASP A 55 132.215 6.424 10.684 1.00 0.37 C ATOM 859 O ASP A 55 131.871 6.592 9.531 1.00 0.37 O ATOM 860 CB ASP A 55 133.940 8.228 11.020 1.00 0.46 C ATOM 861 CG ASP A 55 132.984 9.011 11.920 1.00 1.18 C ATOM 862 OD1 ASP A 55 131.786 8.899 11.717 1.00 1.80 O ATOM 863 OD2 ASP A 55 133.465 9.706 12.801 1.00 1.55 O ATOM 0 H ASP A 55 135.161 6.505 9.642 1.00 0.29 H new ATOM 0 HA ASP A 55 133.774 6.450 12.188 1.00 0.39 H new ATOM 0 HB2 ASP A 55 134.972 8.431 11.304 1.00 0.46 H new ATOM 0 HB3 ASP A 55 133.826 8.548 9.984 1.00 0.46 H new ATOM 868 N GLU A 56 131.398 5.928 11.572 1.00 0.38 N ATOM 869 CA GLU A 56 130.000 5.544 11.202 1.00 0.37 C ATOM 870 C GLU A 56 129.154 6.730 10.709 1.00 0.38 C ATOM 871 O GLU A 56 128.397 6.598 9.771 1.00 0.37 O ATOM 872 CB GLU A 56 129.327 4.926 12.433 1.00 0.39 C ATOM 873 CG GLU A 56 127.955 4.355 12.059 1.00 0.41 C ATOM 874 CD GLU A 56 128.132 3.158 11.123 1.00 0.62 C ATOM 875 OE1 GLU A 56 128.231 3.374 9.926 1.00 0.87 O ATOM 876 OE2 GLU A 56 128.158 2.045 11.620 1.00 0.85 O ATOM 0 H GLU A 56 131.640 5.769 12.550 1.00 0.38 H new ATOM 0 HA GLU A 56 130.062 4.836 10.375 1.00 0.37 H new ATOM 0 HB2 GLU A 56 129.957 4.137 12.843 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.214 5.681 13.212 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.420 4.050 12.958 1.00 0.41 H new ATOM 0 HG3 GLU A 56 127.351 5.122 11.574 1.00 0.41 H new ATOM 883 N ASP A 57 129.246 7.873 11.326 1.00 0.40 N ATOM 884 CA ASP A 57 128.404 9.025 10.871 1.00 0.41 C ATOM 885 C ASP A 57 128.877 9.539 9.511 1.00 0.40 C ATOM 886 O ASP A 57 128.081 9.873 8.656 1.00 0.40 O ATOM 887 CB ASP A 57 128.484 10.157 11.901 1.00 0.45 C ATOM 888 CG ASP A 57 127.748 9.741 13.176 1.00 0.47 C ATOM 889 OD1 ASP A 57 126.886 8.882 13.086 1.00 0.64 O ATOM 890 OD2 ASP A 57 128.059 10.289 14.221 1.00 0.73 O ATOM 0 H ASP A 57 129.859 8.064 12.118 1.00 0.40 H new ATOM 0 HA ASP A 57 127.373 8.684 10.775 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.526 10.384 12.128 1.00 0.45 H new ATOM 0 HB3 ASP A 57 128.041 11.066 11.493 1.00 0.45 H new ATOM 895 N LEU A 58 130.149 9.599 9.294 1.00 0.40 N ATOM 896 CA LEU A 58 130.632 10.092 7.974 1.00 0.40 C ATOM 897 C LEU A 58 130.306 9.052 6.903 1.00 0.37 C ATOM 898 O LEU A 58 129.897 9.381 5.807 1.00 0.38 O ATOM 899 CB LEU A 58 132.140 10.329 8.012 1.00 0.40 C ATOM 900 CG LEU A 58 132.487 11.370 9.086 1.00 0.47 C ATOM 901 CD1 LEU A 58 134.003 11.587 9.102 1.00 0.45 C ATOM 902 CD2 LEU A 58 131.779 12.705 8.788 1.00 0.55 C ATOM 0 H LEU A 58 130.875 9.333 9.960 1.00 0.40 H new ATOM 0 HA LEU A 58 130.137 11.035 7.743 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.657 9.393 8.222 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.486 10.672 7.037 1.00 0.40 H new ATOM 0 HG LEU A 58 132.152 11.006 10.057 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.257 12.325 9.863 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.503 10.645 9.329 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.330 11.945 8.126 1.00 0.45 H new ATOM 0 HD21 LEU A 58 132.035 13.432 9.558 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.100 13.078 7.815 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.700 12.551 8.779 1.00 0.55 H new ATOM 914 N PHE A 59 130.464 7.795 7.218 1.00 0.36 N ATOM 915 CA PHE A 59 130.138 6.737 6.224 1.00 0.35 C ATOM 916 C PHE A 59 128.648 6.799 5.883 1.00 0.35 C ATOM 917 O PHE A 59 128.262 6.778 4.731 1.00 0.35 O ATOM 918 CB PHE A 59 130.488 5.361 6.796 1.00 0.34 C ATOM 919 CG PHE A 59 130.145 4.298 5.780 1.00 0.33 C ATOM 920 CD1 PHE A 59 131.099 3.892 4.837 1.00 0.35 C ATOM 921 CD2 PHE A 59 128.873 3.714 5.783 1.00 0.36 C ATOM 922 CE1 PHE A 59 130.778 2.903 3.897 1.00 0.36 C ATOM 923 CE2 PHE A 59 128.552 2.727 4.844 1.00 0.38 C ATOM 924 CZ PHE A 59 129.505 2.321 3.901 1.00 0.36 C ATOM 0 H PHE A 59 130.804 7.457 8.118 1.00 0.36 H new ATOM 0 HA PHE A 59 130.721 6.900 5.317 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.549 5.316 7.043 1.00 0.34 H new ATOM 0 HB3 PHE A 59 129.938 5.188 7.721 1.00 0.34 H new ATOM 0 HD1 PHE A 59 132.081 4.341 4.835 1.00 0.35 H new ATOM 0 HD2 PHE A 59 128.138 4.025 6.511 1.00 0.36 H new ATOM 0 HE1 PHE A 59 131.513 2.590 3.170 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.570 2.278 4.846 1.00 0.38 H new ATOM 0 HZ PHE A 59 129.257 1.559 3.177 1.00 0.36 H new ATOM 934 N ARG A 60 127.805 6.860 6.883 1.00 0.37 N ATOM 935 CA ARG A 60 126.338 6.902 6.623 1.00 0.38 C ATOM 936 C ARG A 60 125.965 8.127 5.787 1.00 0.39 C ATOM 937 O ARG A 60 125.243 8.019 4.817 1.00 0.39 O ATOM 938 CB ARG A 60 125.582 6.950 7.954 1.00 0.42 C ATOM 939 CG ARG A 60 125.699 5.598 8.661 1.00 0.43 C ATOM 940 CD ARG A 60 125.064 5.685 10.050 1.00 0.50 C ATOM 941 NE ARG A 60 125.123 4.353 10.712 1.00 1.31 N ATOM 942 CZ ARG A 60 124.953 4.259 12.003 1.00 1.55 C ATOM 943 NH1 ARG A 60 124.758 5.336 12.715 1.00 1.16 N ATOM 944 NH2 ARG A 60 124.986 3.090 12.581 1.00 2.64 N ATOM 0 H ARG A 60 128.071 6.882 7.867 1.00 0.37 H new ATOM 0 HA ARG A 60 126.063 6.005 6.069 1.00 0.38 H new ATOM 0 HB2 ARG A 60 125.989 7.739 8.587 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.533 7.191 7.779 1.00 0.42 H new ATOM 0 HG2 ARG A 60 125.205 4.825 8.072 1.00 0.43 H new ATOM 0 HG3 ARG A 60 126.747 5.311 8.747 1.00 0.43 H new ATOM 0 HD2 ARG A 60 125.588 6.426 10.654 1.00 0.50 H new ATOM 0 HD3 ARG A 60 124.029 6.015 9.967 1.00 0.50 H new ATOM 0 HE ARG A 60 125.296 3.515 10.157 1.00 1.31 H new ATOM 0 HH11 ARG A 60 124.739 6.250 12.262 1.00 1.16 H new ATOM 0 HH12 ARG A 60 124.625 5.263 13.724 1.00 1.16 H new ATOM 0 HH21 ARG A 60 125.145 2.250 12.024 1.00 2.64 H new ATOM 0 HH22 ARG A 60 124.853 3.016 13.590 1.00 2.64 H new ATOM 958 N GLU A 61 126.451 9.290 6.132 1.00 0.41 N ATOM 959 CA GLU A 61 126.112 10.496 5.325 1.00 0.44 C ATOM 960 C GLU A 61 126.688 10.329 3.921 1.00 0.42 C ATOM 961 O GLU A 61 126.069 10.689 2.940 1.00 0.42 O ATOM 962 CB GLU A 61 126.718 11.745 5.971 1.00 0.48 C ATOM 963 CG GLU A 61 125.987 12.060 7.277 1.00 1.29 C ATOM 964 CD GLU A 61 126.602 13.309 7.911 1.00 1.76 C ATOM 965 OE1 GLU A 61 127.633 13.748 7.429 1.00 2.32 O ATOM 966 OE2 GLU A 61 126.029 13.808 8.867 1.00 2.37 O ATOM 0 H GLU A 61 127.063 9.456 6.931 1.00 0.41 H new ATOM 0 HA GLU A 61 125.029 10.607 5.278 1.00 0.44 H new ATOM 0 HB2 GLU A 61 127.779 11.586 6.166 1.00 0.48 H new ATOM 0 HB3 GLU A 61 126.643 12.591 5.288 1.00 0.48 H new ATOM 0 HG2 GLU A 61 124.926 12.221 7.084 1.00 1.29 H new ATOM 0 HG3 GLU A 61 126.062 11.216 7.962 1.00 1.29 H new ATOM 973 N TRP A 62 127.870 9.796 3.817 1.00 0.40 N ATOM 974 CA TRP A 62 128.489 9.616 2.474 1.00 0.38 C ATOM 975 C TRP A 62 127.651 8.684 1.592 1.00 0.36 C ATOM 976 O TRP A 62 127.361 8.989 0.455 1.00 0.36 O ATOM 977 CB TRP A 62 129.893 9.015 2.637 1.00 0.38 C ATOM 978 CG TRP A 62 130.416 8.609 1.291 1.00 0.36 C ATOM 979 CD1 TRP A 62 130.999 9.433 0.393 1.00 0.38 C ATOM 980 CD2 TRP A 62 130.371 7.292 0.673 1.00 0.34 C ATOM 981 NE1 TRP A 62 131.323 8.701 -0.738 1.00 0.37 N ATOM 982 CE2 TRP A 62 130.955 7.375 -0.611 1.00 0.35 C ATOM 983 CE3 TRP A 62 129.887 6.042 1.102 1.00 0.32 C ATOM 984 CZ2 TRP A 62 131.056 6.258 -1.443 1.00 0.34 C ATOM 985 CZ3 TRP A 62 129.988 4.917 0.269 1.00 0.31 C ATOM 986 CH2 TRP A 62 130.571 5.025 -1.001 1.00 0.32 C ATOM 0 H TRP A 62 128.436 9.476 4.603 1.00 0.40 H new ATOM 0 HA TRP A 62 128.543 10.593 1.993 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.562 9.743 3.096 1.00 0.38 H new ATOM 0 HB3 TRP A 62 129.857 8.152 3.302 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.182 10.488 0.533 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.777 9.093 -1.563 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.435 5.948 2.078 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.506 6.347 -2.421 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.614 3.962 0.609 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.645 4.156 -1.637 1.00 0.32 H new ATOM 997 N LEU A 63 127.286 7.542 2.096 1.00 0.34 N ATOM 998 CA LEU A 63 126.499 6.585 1.269 1.00 0.32 C ATOM 999 C LEU A 63 125.105 7.150 0.993 1.00 0.33 C ATOM 1000 O LEU A 63 124.629 7.143 -0.125 1.00 0.32 O ATOM 1001 CB LEU A 63 126.384 5.258 2.028 1.00 0.31 C ATOM 1002 CG LEU A 63 125.579 4.237 1.213 1.00 0.31 C ATOM 1003 CD1 LEU A 63 126.284 3.948 -0.123 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.458 2.944 2.024 1.00 0.32 C ATOM 0 H LEU A 63 127.497 7.228 3.043 1.00 0.34 H new ATOM 0 HA LEU A 63 127.002 6.425 0.315 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.379 4.863 2.234 1.00 0.31 H new ATOM 0 HB3 LEU A 63 125.901 5.424 2.991 1.00 0.31 H new ATOM 0 HG LEU A 63 124.588 4.639 1.002 1.00 0.31 H new ATOM 0 HD11 LEU A 63 125.703 3.222 -0.692 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.371 4.871 -0.695 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.278 3.545 0.070 1.00 0.30 H new ATOM 0 HD21 LEU A 63 124.887 2.210 1.455 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.453 2.550 2.231 1.00 0.32 H new ATOM 0 HD23 LEU A 63 124.947 3.151 2.964 1.00 0.32 H new ATOM 1016 N LYS A 64 124.449 7.642 2.004 1.00 0.35 N ATOM 1017 CA LYS A 64 123.086 8.210 1.807 1.00 0.37 C ATOM 1018 C LYS A 64 123.158 9.425 0.880 1.00 0.39 C ATOM 1019 O LYS A 64 122.383 9.565 -0.046 1.00 0.39 O ATOM 1020 CB LYS A 64 122.499 8.623 3.156 1.00 0.41 C ATOM 1021 CG LYS A 64 121.062 9.114 2.962 1.00 0.43 C ATOM 1022 CD LYS A 64 120.450 9.432 4.325 1.00 0.68 C ATOM 1023 CE LYS A 64 119.045 10.008 4.138 1.00 1.25 C ATOM 1024 NZ LYS A 64 118.191 9.020 3.420 1.00 2.11 N ATOM 0 H LYS A 64 124.798 7.676 2.962 1.00 0.35 H new ATOM 0 HA LYS A 64 122.446 7.453 1.354 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.516 7.779 3.845 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.106 9.411 3.602 1.00 0.41 H new ATOM 0 HG2 LYS A 64 121.051 10.002 2.329 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.471 8.353 2.453 1.00 0.43 H new ATOM 0 HD2 LYS A 64 120.405 8.529 4.934 1.00 0.68 H new ATOM 0 HD3 LYS A 64 121.078 10.145 4.859 1.00 0.68 H new ATOM 0 HE2 LYS A 64 118.607 10.246 5.107 1.00 1.25 H new ATOM 0 HE3 LYS A 64 119.095 10.939 3.573 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 117.189 9.263 3.557 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 118.416 9.039 2.405 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 118.371 8.067 3.796 1.00 2.11 H new ATOM 1038 N ASP A 65 124.088 10.304 1.129 1.00 0.41 N ATOM 1039 CA ASP A 65 124.228 11.518 0.277 1.00 0.45 C ATOM 1040 C ASP A 65 124.707 11.116 -1.118 1.00 0.43 C ATOM 1041 O ASP A 65 124.412 11.769 -2.098 1.00 0.46 O ATOM 1042 CB ASP A 65 125.245 12.472 0.908 1.00 0.49 C ATOM 1043 CG ASP A 65 125.190 13.823 0.192 1.00 1.17 C ATOM 1044 OD1 ASP A 65 125.404 13.845 -1.008 1.00 1.90 O ATOM 1045 OD2 ASP A 65 124.934 14.813 0.858 1.00 1.42 O ATOM 0 H ASP A 65 124.762 10.233 1.891 1.00 0.41 H new ATOM 0 HA ASP A 65 123.261 12.015 0.199 1.00 0.45 H new ATOM 0 HB2 ASP A 65 125.029 12.601 1.968 1.00 0.49 H new ATOM 0 HB3 ASP A 65 126.248 12.051 0.836 1.00 0.49 H new ATOM 1050 N THR A 66 125.472 10.061 -1.213 1.00 0.40 N ATOM 1051 CA THR A 66 126.001 9.640 -2.540 1.00 0.39 C ATOM 1052 C THR A 66 124.939 8.890 -3.348 1.00 0.39 C ATOM 1053 O THR A 66 124.914 8.996 -4.559 1.00 0.41 O ATOM 1054 CB THR A 66 127.223 8.740 -2.347 1.00 0.38 C ATOM 1055 OG1 THR A 66 128.241 9.466 -1.672 1.00 0.37 O ATOM 1056 CG2 THR A 66 127.746 8.284 -3.712 1.00 0.39 C ATOM 0 H THR A 66 125.753 9.473 -0.428 1.00 0.40 H new ATOM 0 HA THR A 66 126.283 10.537 -3.092 1.00 0.39 H new ATOM 0 HB THR A 66 126.941 7.868 -1.757 1.00 0.38 H new ATOM 0 HG1 THR A 66 128.136 9.354 -0.704 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.617 7.643 -3.572 1.00 0.39 H new ATOM 0 HG22 THR A 66 126.966 7.729 -4.233 1.00 0.39 H new ATOM 0 HG23 THR A 66 128.028 9.155 -4.303 1.00 0.39 H new ATOM 1064 N CYS A 67 124.080 8.106 -2.726 1.00 0.37 N ATOM 1065 CA CYS A 67 123.059 7.331 -3.513 1.00 0.38 C ATOM 1066 C CYS A 67 121.655 7.481 -2.922 1.00 0.37 C ATOM 1067 O CYS A 67 120.674 7.503 -3.639 1.00 0.40 O ATOM 1068 CB CYS A 67 123.443 5.850 -3.498 1.00 0.37 C ATOM 1069 SG CYS A 67 123.467 5.249 -1.791 1.00 0.36 S ATOM 0 H CYS A 67 124.042 7.971 -1.716 1.00 0.37 H new ATOM 0 HA CYS A 67 123.045 7.723 -4.530 1.00 0.38 H new ATOM 0 HB2 CYS A 67 122.731 5.273 -4.088 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.422 5.713 -3.957 1.00 0.37 H new ATOM 0 HG CYS A 67 124.071 6.116 -1.034 1.00 0.36 H new ATOM 1075 N GLY A 68 121.549 7.579 -1.618 1.00 0.36 N ATOM 1076 CA GLY A 68 120.206 7.719 -0.966 1.00 0.36 C ATOM 1077 C GLY A 68 119.882 6.440 -0.187 1.00 0.34 C ATOM 1078 O GLY A 68 118.750 6.204 0.183 1.00 0.34 O ATOM 0 H GLY A 68 122.339 7.568 -0.973 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.203 8.577 -0.294 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.441 7.902 -1.720 1.00 0.36 H new ATOM 1082 N ALA A 69 120.860 5.613 0.069 1.00 0.33 N ATOM 1083 CA ALA A 69 120.586 4.358 0.829 1.00 0.32 C ATOM 1084 C ALA A 69 119.806 4.703 2.096 1.00 0.31 C ATOM 1085 O ALA A 69 119.901 5.800 2.610 1.00 0.32 O ATOM 1086 CB ALA A 69 121.908 3.692 1.214 1.00 0.32 C ATOM 0 H ALA A 69 121.831 5.750 -0.213 1.00 0.33 H new ATOM 0 HA ALA A 69 120.005 3.675 0.210 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.706 2.776 1.769 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.471 3.453 0.312 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.490 4.372 1.836 1.00 0.32 H new ATOM 1092 N ASN A 70 119.026 3.788 2.603 1.00 0.30 N ATOM 1093 CA ASN A 70 118.235 4.083 3.833 1.00 0.30 C ATOM 1094 C ASN A 70 119.060 3.713 5.067 1.00 0.30 C ATOM 1095 O ASN A 70 120.116 3.121 4.967 1.00 0.29 O ATOM 1096 CB ASN A 70 116.942 3.264 3.815 1.00 0.30 C ATOM 1097 CG ASN A 70 116.095 3.616 5.040 1.00 1.06 C ATOM 1098 OD1 ASN A 70 116.187 2.967 6.063 1.00 1.90 O ATOM 1099 ND2 ASN A 70 115.266 4.623 4.978 1.00 1.77 N ATOM 0 H ASN A 70 118.902 2.851 2.220 1.00 0.30 H new ATOM 0 HA ASN A 70 117.990 5.145 3.865 1.00 0.30 H new ATOM 0 HB2 ASN A 70 116.382 3.469 2.902 1.00 0.30 H new ATOM 0 HB3 ASN A 70 117.174 2.199 3.814 1.00 0.30 H new ATOM 0 HD21 ASN A 70 114.696 4.865 5.788 1.00 1.77 H new ATOM 0 HD22 ASN A 70 115.189 5.168 4.119 1.00 1.77 H new ATOM 1106 N ALA A 71 118.592 4.080 6.227 1.00 0.32 N ATOM 1107 CA ALA A 71 119.348 3.776 7.475 1.00 0.34 C ATOM 1108 C ALA A 71 119.531 2.265 7.650 1.00 0.32 C ATOM 1109 O ALA A 71 120.520 1.818 8.189 1.00 0.32 O ATOM 1110 CB ALA A 71 118.587 4.333 8.680 1.00 0.39 C ATOM 0 H ALA A 71 117.714 4.580 6.366 1.00 0.32 H new ATOM 0 HA ALA A 71 120.331 4.241 7.403 1.00 0.34 H new ATOM 0 HB1 ALA A 71 119.139 4.111 9.593 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.479 5.412 8.575 1.00 0.39 H new ATOM 0 HB3 ALA A 71 117.600 3.873 8.732 1.00 0.39 H new ATOM 1116 N LYS A 72 118.588 1.471 7.224 1.00 0.30 N ATOM 1117 CA LYS A 72 118.738 -0.003 7.411 1.00 0.29 C ATOM 1118 C LYS A 72 119.811 -0.557 6.473 1.00 0.27 C ATOM 1119 O LYS A 72 120.601 -1.406 6.843 1.00 0.27 O ATOM 1120 CB LYS A 72 117.400 -0.686 7.124 1.00 0.29 C ATOM 1121 CG LYS A 72 116.387 -0.279 8.196 1.00 1.18 C ATOM 1122 CD LYS A 72 115.043 -0.956 7.920 1.00 1.29 C ATOM 1123 CE LYS A 72 114.034 -0.545 8.994 1.00 2.11 C ATOM 1124 NZ LYS A 72 114.526 -0.983 10.331 1.00 2.58 N ATOM 0 H LYS A 72 117.731 1.771 6.760 1.00 0.30 H new ATOM 0 HA LYS A 72 119.042 -0.201 8.439 1.00 0.29 H new ATOM 0 HB2 LYS A 72 117.037 -0.401 6.137 1.00 0.29 H new ATOM 0 HB3 LYS A 72 117.525 -1.769 7.117 1.00 0.29 H new ATOM 0 HG2 LYS A 72 116.753 -0.564 9.182 1.00 1.18 H new ATOM 0 HG3 LYS A 72 116.265 0.804 8.202 1.00 1.18 H new ATOM 0 HD2 LYS A 72 114.676 -0.672 6.934 1.00 1.29 H new ATOM 0 HD3 LYS A 72 115.164 -2.039 7.915 1.00 1.29 H new ATOM 0 HE2 LYS A 72 113.894 0.536 8.982 1.00 2.11 H new ATOM 0 HE3 LYS A 72 113.063 -0.994 8.787 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 113.733 -1.003 11.003 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 114.939 -1.934 10.254 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 115.250 -0.317 10.670 1.00 2.58 H new ATOM 1138 N GLN A 73 119.836 -0.101 5.253 1.00 0.26 N ATOM 1139 CA GLN A 73 120.835 -0.615 4.280 1.00 0.25 C ATOM 1140 C GLN A 73 122.242 -0.191 4.689 1.00 0.25 C ATOM 1141 O GLN A 73 123.197 -0.923 4.516 1.00 0.25 O ATOM 1142 CB GLN A 73 120.519 -0.072 2.885 1.00 0.26 C ATOM 1143 CG GLN A 73 119.220 -0.703 2.379 1.00 0.29 C ATOM 1144 CD GLN A 73 118.909 -0.189 0.972 1.00 1.24 C ATOM 1145 OE1 GLN A 73 119.003 -0.926 0.011 1.00 2.12 O ATOM 1146 NE2 GLN A 73 118.540 1.051 0.807 1.00 1.88 N ATOM 0 H GLN A 73 119.203 0.610 4.887 1.00 0.26 H new ATOM 0 HA GLN A 73 120.786 -1.704 4.268 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.421 1.013 2.918 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.337 -0.297 2.201 1.00 0.26 H new ATOM 0 HG2 GLN A 73 119.313 -1.789 2.367 1.00 0.29 H new ATOM 0 HG3 GLN A 73 118.400 -0.460 3.054 1.00 0.29 H new ATOM 0 HE21 GLN A 73 118.461 1.671 1.613 1.00 1.88 H new ATOM 0 HE22 GLN A 73 118.331 1.401 -0.128 1.00 1.88 H new ATOM 1155 N SER A 74 122.386 0.991 5.221 1.00 0.26 N ATOM 1156 CA SER A 74 123.735 1.462 5.627 1.00 0.27 C ATOM 1157 C SER A 74 124.257 0.638 6.806 1.00 0.26 C ATOM 1158 O SER A 74 125.430 0.330 6.875 1.00 0.26 O ATOM 1159 CB SER A 74 123.660 2.933 6.022 1.00 0.30 C ATOM 1160 OG SER A 74 124.976 3.422 6.237 1.00 1.36 O ATOM 0 H SER A 74 121.626 1.650 5.391 1.00 0.26 H new ATOM 0 HA SER A 74 124.419 1.341 4.787 1.00 0.27 H new ATOM 0 HB2 SER A 74 123.168 3.509 5.238 1.00 0.30 H new ATOM 0 HB3 SER A 74 123.063 3.050 6.926 1.00 0.30 H new ATOM 0 HG SER A 74 125.215 4.046 5.520 1.00 1.36 H new ATOM 1166 N ARG A 75 123.414 0.277 7.744 1.00 0.27 N ATOM 1167 CA ARG A 75 123.913 -0.520 8.899 1.00 0.28 C ATOM 1168 C ARG A 75 124.501 -1.824 8.375 1.00 0.26 C ATOM 1169 O ARG A 75 125.477 -2.322 8.900 1.00 0.27 O ATOM 1170 CB ARG A 75 122.780 -0.825 9.882 1.00 0.30 C ATOM 1171 CG ARG A 75 122.359 0.461 10.594 1.00 0.33 C ATOM 1172 CD ARG A 75 121.254 0.148 11.606 1.00 0.61 C ATOM 1173 NE ARG A 75 120.086 -0.447 10.898 1.00 1.34 N ATOM 1174 CZ ARG A 75 119.146 -1.043 11.580 1.00 1.81 C ATOM 1175 NH1 ARG A 75 119.214 -1.086 12.882 1.00 1.88 N ATOM 1176 NH2 ARG A 75 118.137 -1.592 10.964 1.00 2.80 N ATOM 0 H ARG A 75 122.418 0.497 7.757 1.00 0.27 H new ATOM 0 HA ARG A 75 124.674 0.055 9.426 1.00 0.28 H new ATOM 0 HB2 ARG A 75 121.930 -1.254 9.351 1.00 0.30 H new ATOM 0 HB3 ARG A 75 123.107 -1.566 10.611 1.00 0.30 H new ATOM 0 HG2 ARG A 75 123.216 0.905 11.101 1.00 0.33 H new ATOM 0 HG3 ARG A 75 122.004 1.192 9.867 1.00 0.33 H new ATOM 0 HD2 ARG A 75 121.625 -0.543 12.363 1.00 0.61 H new ATOM 0 HD3 ARG A 75 120.953 1.058 12.125 1.00 0.61 H new ATOM 0 HE ARG A 75 120.021 -0.389 9.882 1.00 1.34 H new ATOM 0 HH11 ARG A 75 120.001 -0.654 13.366 1.00 1.88 H new ATOM 0 HH12 ARG A 75 118.480 -1.551 13.416 1.00 1.88 H new ATOM 0 HH21 ARG A 75 118.080 -1.557 9.946 1.00 2.80 H new ATOM 0 HH22 ARG A 75 117.404 -2.057 11.500 1.00 2.80 H new ATOM 1190 N ASP A 76 123.922 -2.400 7.358 1.00 0.25 N ATOM 1191 CA ASP A 76 124.452 -3.681 6.822 1.00 0.24 C ATOM 1192 C ASP A 76 125.811 -3.457 6.164 1.00 0.23 C ATOM 1193 O ASP A 76 126.709 -4.265 6.299 1.00 0.23 O ATOM 1194 CB ASP A 76 123.483 -4.244 5.783 1.00 0.24 C ATOM 1195 CG ASP A 76 122.207 -4.725 6.475 1.00 0.25 C ATOM 1196 OD1 ASP A 76 122.219 -4.834 7.689 1.00 0.40 O ATOM 1197 OD2 ASP A 76 121.241 -4.984 5.775 1.00 0.39 O ATOM 0 H ASP A 76 123.101 -2.035 6.874 1.00 0.25 H new ATOM 0 HA ASP A 76 124.562 -4.385 7.647 1.00 0.24 H new ATOM 0 HB2 ASP A 76 123.242 -3.479 5.045 1.00 0.24 H new ATOM 0 HB3 ASP A 76 123.950 -5.069 5.246 1.00 0.24 H new ATOM 1202 N CYS A 77 125.989 -2.371 5.461 1.00 0.22 N ATOM 1203 CA CYS A 77 127.307 -2.126 4.818 1.00 0.22 C ATOM 1204 C CYS A 77 128.361 -1.860 5.894 1.00 0.22 C ATOM 1205 O CYS A 77 129.477 -2.327 5.804 1.00 0.21 O ATOM 1206 CB CYS A 77 127.202 -0.908 3.898 1.00 0.23 C ATOM 1207 SG CYS A 77 126.181 -1.325 2.463 1.00 0.24 S ATOM 0 H CYS A 77 125.284 -1.650 5.306 1.00 0.22 H new ATOM 0 HA CYS A 77 127.596 -3.002 4.237 1.00 0.22 H new ATOM 0 HB2 CYS A 77 126.765 -0.068 4.437 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.195 -0.597 3.574 1.00 0.23 H new ATOM 0 HG CYS A 77 126.141 -2.616 2.320 1.00 0.24 H new ATOM 1213 N PHE A 78 128.030 -1.111 6.909 1.00 0.23 N ATOM 1214 CA PHE A 78 129.044 -0.829 7.959 1.00 0.25 C ATOM 1215 C PHE A 78 129.504 -2.144 8.587 1.00 0.24 C ATOM 1216 O PHE A 78 130.669 -2.488 8.548 1.00 0.23 O ATOM 1217 CB PHE A 78 128.429 0.067 9.035 1.00 0.29 C ATOM 1218 CG PHE A 78 129.466 0.383 10.086 1.00 0.32 C ATOM 1219 CD1 PHE A 78 130.282 1.512 9.945 1.00 0.36 C ATOM 1220 CD2 PHE A 78 129.608 -0.447 11.203 1.00 0.38 C ATOM 1221 CE1 PHE A 78 131.242 1.810 10.922 1.00 0.41 C ATOM 1222 CE2 PHE A 78 130.568 -0.150 12.180 1.00 0.43 C ATOM 1223 CZ PHE A 78 131.384 0.979 12.038 1.00 0.43 C ATOM 0 H PHE A 78 127.114 -0.688 7.055 1.00 0.23 H new ATOM 0 HA PHE A 78 129.900 -0.322 7.513 1.00 0.25 H new ATOM 0 HB2 PHE A 78 128.059 0.989 8.587 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.574 -0.431 9.492 1.00 0.29 H new ATOM 0 HD1 PHE A 78 130.172 2.153 9.083 1.00 0.36 H new ATOM 0 HD2 PHE A 78 128.978 -1.317 11.313 1.00 0.38 H new ATOM 0 HE1 PHE A 78 131.872 2.681 10.813 1.00 0.41 H new ATOM 0 HE2 PHE A 78 130.678 -0.792 13.042 1.00 0.43 H new ATOM 0 HZ PHE A 78 132.124 1.208 12.791 1.00 0.43 H new ATOM 1233 N GLY A 79 128.597 -2.885 9.167 1.00 0.25 N ATOM 1234 CA GLY A 79 128.971 -4.178 9.802 1.00 0.26 C ATOM 1235 C GLY A 79 129.579 -5.117 8.758 1.00 0.24 C ATOM 1236 O GLY A 79 130.481 -5.877 9.041 1.00 0.24 O ATOM 0 H GLY A 79 127.607 -2.646 9.227 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.685 -4.004 10.607 1.00 0.26 H new ATOM 0 HA3 GLY A 79 128.092 -4.640 10.251 1.00 0.26 H new ATOM 1240 N CYS A 80 129.100 -5.060 7.549 1.00 0.22 N ATOM 1241 CA CYS A 80 129.666 -5.944 6.492 1.00 0.22 C ATOM 1242 C CYS A 80 131.083 -5.484 6.148 1.00 0.22 C ATOM 1243 O CYS A 80 131.998 -6.279 6.061 1.00 0.23 O ATOM 1244 CB CYS A 80 128.792 -5.877 5.239 1.00 0.22 C ATOM 1245 SG CYS A 80 129.468 -6.978 3.972 1.00 0.25 S ATOM 0 H CYS A 80 128.345 -4.444 7.247 1.00 0.22 H new ATOM 0 HA CYS A 80 129.693 -6.970 6.858 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.769 -6.167 5.480 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.753 -4.854 4.864 1.00 0.22 H new ATOM 0 HG CYS A 80 129.377 -6.407 2.808 1.00 0.25 H new ATOM 1251 N LEU A 81 131.281 -4.206 5.977 1.00 0.21 N ATOM 1252 CA LEU A 81 132.654 -3.714 5.668 1.00 0.21 C ATOM 1253 C LEU A 81 133.525 -3.837 6.922 1.00 0.22 C ATOM 1254 O LEU A 81 134.672 -4.229 6.858 1.00 0.22 O ATOM 1255 CB LEU A 81 132.563 -2.241 5.257 1.00 0.22 C ATOM 1256 CG LEU A 81 131.714 -2.098 3.977 1.00 0.24 C ATOM 1257 CD1 LEU A 81 131.170 -0.671 3.882 1.00 0.30 C ATOM 1258 CD2 LEU A 81 132.579 -2.374 2.740 1.00 0.28 C ATOM 0 H LEU A 81 130.560 -3.487 6.037 1.00 0.21 H new ATOM 0 HA LEU A 81 133.093 -4.301 4.861 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.120 -1.657 6.064 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.562 -1.841 5.086 1.00 0.22 H new ATOM 0 HG LEU A 81 130.892 -2.813 4.019 1.00 0.24 H new ATOM 0 HD11 LEU A 81 130.570 -0.570 2.978 1.00 0.30 H new ATOM 0 HD12 LEU A 81 130.551 -0.459 4.754 1.00 0.30 H new ATOM 0 HD13 LEU A 81 132.001 0.034 3.847 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.972 -2.271 1.841 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.403 -1.661 2.705 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.978 -3.387 2.794 1.00 0.28 H new ATOM 1270 N ARG A 82 132.986 -3.495 8.065 1.00 0.22 N ATOM 1271 CA ARG A 82 133.777 -3.583 9.327 1.00 0.24 C ATOM 1272 C ARG A 82 134.197 -5.034 9.567 1.00 0.25 C ATOM 1273 O ARG A 82 135.306 -5.307 9.979 1.00 0.26 O ATOM 1274 CB ARG A 82 132.913 -3.067 10.496 1.00 0.28 C ATOM 1275 CG ARG A 82 133.579 -3.303 11.872 1.00 0.33 C ATOM 1276 CD ARG A 82 134.792 -2.383 12.069 1.00 0.84 C ATOM 1277 NE ARG A 82 134.344 -0.964 12.137 1.00 1.41 N ATOM 1278 CZ ARG A 82 135.144 -0.056 12.625 1.00 1.95 C ATOM 1279 NH1 ARG A 82 136.322 -0.398 13.069 1.00 2.25 N ATOM 1280 NH2 ARG A 82 134.765 1.192 12.676 1.00 2.73 N ATOM 0 H ARG A 82 132.030 -3.158 8.177 1.00 0.22 H new ATOM 0 HA ARG A 82 134.676 -2.971 9.251 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.727 -2.001 10.364 1.00 0.28 H new ATOM 0 HB3 ARG A 82 131.944 -3.565 10.475 1.00 0.28 H new ATOM 0 HG2 ARG A 82 132.853 -3.126 12.665 1.00 0.33 H new ATOM 0 HG3 ARG A 82 133.892 -4.344 11.953 1.00 0.33 H new ATOM 0 HD2 ARG A 82 135.319 -2.652 12.985 1.00 0.84 H new ATOM 0 HD3 ARG A 82 135.496 -2.513 11.247 1.00 0.84 H new ATOM 0 HE ARG A 82 133.416 -0.703 11.804 1.00 1.41 H new ATOM 0 HH11 ARG A 82 136.616 -1.374 13.034 1.00 2.25 H new ATOM 0 HH12 ARG A 82 136.949 0.311 13.451 1.00 2.25 H new ATOM 0 HH21 ARG A 82 133.842 1.459 12.334 1.00 2.73 H new ATOM 0 HH22 ARG A 82 135.392 1.900 13.058 1.00 2.73 H new ATOM 1294 N GLU A 83 133.320 -5.967 9.323 1.00 0.25 N ATOM 1295 CA GLU A 83 133.673 -7.395 9.549 1.00 0.28 C ATOM 1296 C GLU A 83 134.693 -7.867 8.514 1.00 0.27 C ATOM 1297 O GLU A 83 135.598 -8.610 8.839 1.00 0.29 O ATOM 1298 CB GLU A 83 132.412 -8.260 9.473 1.00 0.30 C ATOM 1299 CG GLU A 83 131.554 -8.029 10.720 1.00 0.33 C ATOM 1300 CD GLU A 83 132.250 -8.633 11.942 1.00 1.19 C ATOM 1301 OE1 GLU A 83 132.536 -9.818 11.913 1.00 1.91 O ATOM 1302 OE2 GLU A 83 132.484 -7.898 12.887 1.00 1.56 O ATOM 0 H GLU A 83 132.375 -5.802 8.977 1.00 0.25 H new ATOM 0 HA GLU A 83 134.116 -7.492 10.540 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.843 -8.013 8.577 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.685 -9.313 9.397 1.00 0.30 H new ATOM 0 HG2 GLU A 83 131.394 -6.961 10.871 1.00 0.33 H new ATOM 0 HG3 GLU A 83 130.572 -8.483 10.587 1.00 0.33 H new ATOM 1309 N TRP A 84 134.596 -7.442 7.280 1.00 0.25 N ATOM 1310 CA TRP A 84 135.609 -7.879 6.283 1.00 0.25 C ATOM 1311 C TRP A 84 136.979 -7.408 6.771 1.00 0.27 C ATOM 1312 O TRP A 84 137.953 -8.131 6.731 1.00 0.28 O ATOM 1313 CB TRP A 84 135.308 -7.267 4.915 1.00 0.25 C ATOM 1314 CG TRP A 84 136.234 -7.860 3.901 1.00 0.27 C ATOM 1315 CD1 TRP A 84 135.977 -8.981 3.189 1.00 0.30 C ATOM 1316 CD2 TRP A 84 137.553 -7.402 3.482 1.00 0.30 C ATOM 1317 NE1 TRP A 84 137.051 -9.240 2.359 1.00 0.33 N ATOM 1318 CE2 TRP A 84 138.047 -8.297 2.502 1.00 0.32 C ATOM 1319 CE3 TRP A 84 138.358 -6.310 3.851 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 139.297 -8.114 1.909 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 139.619 -6.124 3.256 1.00 0.35 C ATOM 1322 CH2 TRP A 84 140.086 -7.025 2.289 1.00 0.37 C ATOM 0 H TRP A 84 133.869 -6.820 6.927 1.00 0.25 H new ATOM 0 HA TRP A 84 135.589 -8.964 6.180 1.00 0.25 H new ATOM 0 HB2 TRP A 84 134.272 -7.459 4.636 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.433 -6.185 4.951 1.00 0.25 H new ATOM 0 HD1 TRP A 84 135.079 -9.577 3.258 1.00 0.30 H new ATOM 0 HE1 TRP A 84 137.101 -10.032 1.719 1.00 0.33 H new ATOM 0 HE3 TRP A 84 138.006 -5.610 4.595 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.652 -8.809 1.162 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 140.231 -5.282 3.546 1.00 0.35 H new ATOM 0 HH2 TRP A 84 141.056 -6.877 1.837 1.00 0.37 H new ATOM 1333 N CYS A 85 137.049 -6.192 7.242 1.00 0.27 N ATOM 1334 CA CYS A 85 138.342 -5.653 7.744 1.00 0.30 C ATOM 1335 C CYS A 85 138.840 -6.524 8.902 1.00 0.33 C ATOM 1336 O CYS A 85 140.012 -6.808 9.020 1.00 0.36 O ATOM 1337 CB CYS A 85 138.125 -4.215 8.232 1.00 0.33 C ATOM 1338 SG CYS A 85 138.112 -3.096 6.810 1.00 0.33 S ATOM 0 H CYS A 85 136.261 -5.547 7.300 1.00 0.27 H new ATOM 0 HA CYS A 85 139.084 -5.660 6.946 1.00 0.30 H new ATOM 0 HB2 CYS A 85 137.183 -4.142 8.776 1.00 0.33 H new ATOM 0 HB3 CYS A 85 138.916 -3.931 8.926 1.00 0.33 H new ATOM 0 HG CYS A 85 137.926 -1.876 7.219 1.00 0.33 H new ATOM 1344 N ASP A 86 137.954 -6.951 9.754 1.00 0.34 N ATOM 1345 CA ASP A 86 138.370 -7.800 10.906 1.00 0.39 C ATOM 1346 C ASP A 86 139.046 -9.078 10.404 1.00 0.41 C ATOM 1347 O ASP A 86 139.944 -9.604 11.034 1.00 0.43 O ATOM 1348 CB ASP A 86 137.135 -8.179 11.730 1.00 0.41 C ATOM 1349 CG ASP A 86 136.629 -6.955 12.496 1.00 0.42 C ATOM 1350 OD1 ASP A 86 137.364 -6.457 13.331 1.00 0.55 O ATOM 1351 OD2 ASP A 86 135.513 -6.537 12.232 1.00 0.51 O ATOM 0 H ASP A 86 136.955 -6.749 9.704 1.00 0.34 H new ATOM 0 HA ASP A 86 139.073 -7.239 11.522 1.00 0.39 H new ATOM 0 HB2 ASP A 86 136.351 -8.559 11.074 1.00 0.41 H new ATOM 0 HB3 ASP A 86 137.383 -8.979 12.427 1.00 0.41 H new ATOM 1356 N ALA A 87 138.606 -9.596 9.288 1.00 0.41 N ATOM 1357 CA ALA A 87 139.209 -10.860 8.761 1.00 0.43 C ATOM 1358 C ALA A 87 140.351 -10.567 7.778 1.00 0.43 C ATOM 1359 O ALA A 87 141.302 -11.320 7.694 1.00 0.48 O ATOM 1360 CB ALA A 87 138.128 -11.670 8.042 1.00 0.41 C ATOM 0 H ALA A 87 137.857 -9.202 8.718 1.00 0.41 H new ATOM 0 HA ALA A 87 139.615 -11.422 9.602 1.00 0.43 H new ATOM 0 HB1 ALA A 87 138.561 -12.593 7.656 1.00 0.41 H new ATOM 0 HB2 ALA A 87 137.328 -11.910 8.742 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.724 -11.085 7.216 1.00 0.41 H new ATOM 1366 N PHE A 88 140.256 -9.508 7.005 1.00 0.40 N ATOM 1367 CA PHE A 88 141.327 -9.202 5.991 1.00 0.44 C ATOM 1368 C PHE A 88 142.128 -7.948 6.361 1.00 0.54 C ATOM 1369 O PHE A 88 142.975 -7.516 5.604 1.00 1.24 O ATOM 1370 CB PHE A 88 140.668 -8.958 4.635 1.00 0.41 C ATOM 1371 CG PHE A 88 140.067 -10.237 4.114 1.00 0.39 C ATOM 1372 CD1 PHE A 88 140.841 -11.110 3.342 1.00 0.44 C ATOM 1373 CD2 PHE A 88 138.731 -10.543 4.393 1.00 0.35 C ATOM 1374 CE1 PHE A 88 140.279 -12.291 2.850 1.00 0.47 C ATOM 1375 CE2 PHE A 88 138.167 -11.723 3.897 1.00 0.40 C ATOM 1376 CZ PHE A 88 138.942 -12.597 3.125 1.00 0.45 C ATOM 0 H PHE A 88 139.485 -8.841 7.030 1.00 0.40 H new ATOM 0 HA PHE A 88 142.008 -10.053 5.962 1.00 0.44 H new ATOM 0 HB2 PHE A 88 139.895 -8.196 4.730 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.405 -8.578 3.927 1.00 0.41 H new ATOM 0 HD1 PHE A 88 141.872 -10.871 3.126 1.00 0.44 H new ATOM 0 HD2 PHE A 88 138.136 -9.869 4.991 1.00 0.35 H new ATOM 0 HE1 PHE A 88 140.877 -12.968 2.257 1.00 0.47 H new ATOM 0 HE2 PHE A 88 137.135 -11.960 4.109 1.00 0.40 H new ATOM 0 HZ PHE A 88 138.507 -13.508 2.742 1.00 0.45 H new ATOM 1454 N SER B 4 163.500 -2.120 1.991 1.00 0.63 N ATOM 1455 CA SER B 4 163.907 -2.506 3.375 1.00 0.62 C ATOM 1456 C SER B 4 163.046 -3.666 3.878 1.00 0.60 C ATOM 1457 O SER B 4 162.141 -4.129 3.212 1.00 0.58 O ATOM 1458 CB SER B 4 163.733 -1.310 4.310 1.00 0.63 C ATOM 1459 OG SER B 4 162.347 -1.034 4.472 1.00 1.50 O ATOM 0 HA SER B 4 164.952 -2.817 3.360 1.00 0.62 H new ATOM 0 HB2 SER B 4 164.188 -1.522 5.277 1.00 0.63 H new ATOM 0 HB3 SER B 4 164.243 -0.438 3.901 1.00 0.63 H new ATOM 0 HG SER B 4 161.868 -1.274 3.652 1.00 1.50 H new ATOM 1465 N GLN B 5 163.348 -4.143 5.056 1.00 0.63 N ATOM 1466 CA GLN B 5 162.591 -5.286 5.643 1.00 0.64 C ATOM 1467 C GLN B 5 161.134 -4.888 5.881 1.00 0.60 C ATOM 1468 O GLN B 5 160.270 -5.730 6.025 1.00 0.60 O ATOM 1469 CB GLN B 5 163.227 -5.678 6.978 1.00 0.71 C ATOM 1470 CG GLN B 5 164.591 -6.322 6.722 1.00 1.34 C ATOM 1471 CD GLN B 5 165.312 -6.537 8.054 1.00 1.59 C ATOM 1472 OE1 GLN B 5 165.014 -5.881 9.033 1.00 2.09 O ATOM 1473 NE2 GLN B 5 166.256 -7.435 8.134 1.00 2.18 N ATOM 0 H GLN B 5 164.099 -3.783 5.645 1.00 0.63 H new ATOM 0 HA GLN B 5 162.623 -6.127 4.950 1.00 0.64 H new ATOM 0 HB2 GLN B 5 163.341 -4.798 7.611 1.00 0.71 H new ATOM 0 HB3 GLN B 5 162.579 -6.373 7.512 1.00 0.71 H new ATOM 0 HG2 GLN B 5 164.464 -7.274 6.207 1.00 1.34 H new ATOM 0 HG3 GLN B 5 165.190 -5.685 6.071 1.00 1.34 H new ATOM 0 HE21 GLN B 5 166.507 -7.986 7.313 1.00 2.18 H new ATOM 0 HE22 GLN B 5 166.743 -7.586 9.018 1.00 2.18 H new ATOM 1482 N LYS B 6 160.851 -3.614 5.938 1.00 0.59 N ATOM 1483 CA LYS B 6 159.453 -3.168 6.180 1.00 0.57 C ATOM 1484 C LYS B 6 158.546 -3.692 5.067 1.00 0.51 C ATOM 1485 O LYS B 6 157.409 -4.053 5.301 1.00 0.50 O ATOM 1486 CB LYS B 6 159.412 -1.639 6.190 1.00 0.58 C ATOM 1487 CG LYS B 6 160.124 -1.129 7.443 1.00 0.66 C ATOM 1488 CD LYS B 6 160.094 0.400 7.470 1.00 0.80 C ATOM 1489 CE LYS B 6 160.810 0.895 8.729 1.00 1.25 C ATOM 1490 NZ LYS B 6 160.635 2.370 8.856 1.00 2.01 N ATOM 0 H LYS B 6 161.532 -2.863 5.827 1.00 0.59 H new ATOM 0 HA LYS B 6 159.106 -3.555 7.138 1.00 0.57 H new ATOM 0 HB2 LYS B 6 159.894 -1.244 5.296 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.379 -1.290 6.176 1.00 0.58 H new ATOM 0 HG2 LYS B 6 159.640 -1.527 8.335 1.00 0.66 H new ATOM 0 HG3 LYS B 6 161.155 -1.482 7.455 1.00 0.66 H new ATOM 0 HD2 LYS B 6 160.579 0.801 6.580 1.00 0.80 H new ATOM 0 HD3 LYS B 6 159.064 0.756 7.459 1.00 0.80 H new ATOM 0 HE2 LYS B 6 160.408 0.394 9.609 1.00 1.25 H new ATOM 0 HE3 LYS B 6 161.870 0.647 8.678 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 161.122 2.705 9.712 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 161.039 2.841 8.021 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 159.622 2.595 8.924 1.00 2.01 H new ATOM 1504 N HIS B 7 159.027 -3.724 3.857 1.00 0.49 N ATOM 1505 CA HIS B 7 158.175 -4.211 2.736 1.00 0.45 C ATOM 1506 C HIS B 7 157.737 -5.657 2.986 1.00 0.45 C ATOM 1507 O HIS B 7 156.569 -5.981 2.899 1.00 0.43 O ATOM 1508 CB HIS B 7 158.977 -4.124 1.430 1.00 0.45 C ATOM 1509 CG HIS B 7 158.254 -4.846 0.320 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.440 -4.189 -0.595 1.00 0.39 N ATOM 1511 CD2 HIS B 7 158.216 -6.174 -0.034 1.00 0.45 C ATOM 1512 CE1 HIS B 7 156.957 -5.117 -1.446 1.00 0.38 C ATOM 1513 NE2 HIS B 7 157.399 -6.337 -1.145 1.00 0.42 N ATOM 0 H HIS B 7 159.970 -3.435 3.595 1.00 0.49 H new ATOM 0 HA HIS B 7 157.281 -3.591 2.664 1.00 0.45 H new ATOM 0 HB2 HIS B 7 159.126 -3.080 1.156 1.00 0.45 H new ATOM 0 HB3 HIS B 7 159.966 -4.560 1.573 1.00 0.45 H new ATOM 0 HD2 HIS B 7 158.741 -6.969 0.474 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.294 -4.898 -2.270 1.00 0.38 H new ATOM 0 HE2 HIS B 7 157.183 -7.208 -1.629 1.00 0.42 H new ATOM 1521 N ARG B 8 158.660 -6.536 3.290 1.00 0.48 N ATOM 1522 CA ARG B 8 158.298 -7.959 3.537 1.00 0.50 C ATOM 1523 C ARG B 8 157.526 -8.086 4.850 1.00 0.51 C ATOM 1524 O ARG B 8 156.647 -8.914 4.990 1.00 0.51 O ATOM 1525 CB ARG B 8 159.577 -8.794 3.603 1.00 0.55 C ATOM 1526 CG ARG B 8 160.200 -8.860 2.209 1.00 0.57 C ATOM 1527 CD ARG B 8 161.445 -9.747 2.240 1.00 1.00 C ATOM 1528 NE ARG B 8 162.285 -9.476 1.027 1.00 1.70 N ATOM 1529 CZ ARG B 8 161.792 -9.559 -0.182 1.00 2.29 C ATOM 1530 NH1 ARG B 8 160.612 -10.077 -0.386 1.00 2.43 N ATOM 1531 NH2 ARG B 8 162.511 -9.175 -1.200 1.00 3.23 N ATOM 0 H ARG B 8 159.654 -6.324 3.377 1.00 0.48 H new ATOM 0 HA ARG B 8 157.665 -8.319 2.726 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.280 -8.351 4.309 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.353 -9.798 3.963 1.00 0.55 H new ATOM 0 HG2 ARG B 8 159.477 -9.257 1.496 1.00 0.57 H new ATOM 0 HG3 ARG B 8 160.464 -7.858 1.871 1.00 0.57 H new ATOM 0 HD2 ARG B 8 162.021 -9.552 3.145 1.00 1.00 H new ATOM 0 HD3 ARG B 8 161.155 -10.797 2.267 1.00 1.00 H new ATOM 0 HE ARG B 8 163.265 -9.221 1.148 1.00 1.70 H new ATOM 0 HH11 ARG B 8 160.064 -10.422 0.402 1.00 2.43 H new ATOM 0 HH12 ARG B 8 160.238 -10.136 -1.333 1.00 2.43 H new ATOM 0 HH21 ARG B 8 163.453 -8.812 -1.051 1.00 3.23 H new ATOM 0 HH22 ARG B 8 162.132 -9.237 -2.145 1.00 3.23 H new ATOM 1545 N ASP B 9 157.845 -7.273 5.813 1.00 0.52 N ATOM 1546 CA ASP B 9 157.132 -7.346 7.117 1.00 0.54 C ATOM 1547 C ASP B 9 155.695 -6.859 6.937 1.00 0.49 C ATOM 1548 O ASP B 9 154.767 -7.392 7.511 1.00 0.48 O ATOM 1549 CB ASP B 9 157.842 -6.462 8.145 1.00 0.61 C ATOM 1550 CG ASP B 9 159.189 -7.084 8.515 1.00 0.68 C ATOM 1551 OD1 ASP B 9 159.327 -8.286 8.355 1.00 0.67 O ATOM 1552 OD2 ASP B 9 160.060 -6.348 8.947 1.00 0.76 O ATOM 0 H ASP B 9 158.571 -6.558 5.755 1.00 0.52 H new ATOM 0 HA ASP B 9 157.129 -8.378 7.469 1.00 0.54 H new ATOM 0 HB2 ASP B 9 157.992 -5.462 7.738 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.223 -6.354 9.036 1.00 0.61 H new ATOM 1557 N PHE B 10 155.509 -5.838 6.151 1.00 0.46 N ATOM 1558 CA PHE B 10 154.138 -5.299 5.941 1.00 0.43 C ATOM 1559 C PHE B 10 153.253 -6.341 5.245 1.00 0.37 C ATOM 1560 O PHE B 10 152.132 -6.581 5.645 1.00 0.36 O ATOM 1561 CB PHE B 10 154.233 -4.042 5.072 1.00 0.45 C ATOM 1562 CG PHE B 10 152.886 -3.362 5.001 1.00 0.43 C ATOM 1563 CD1 PHE B 10 152.413 -2.641 6.103 1.00 0.44 C ATOM 1564 CD2 PHE B 10 152.119 -3.441 3.832 1.00 0.43 C ATOM 1565 CE1 PHE B 10 151.170 -2.000 6.038 1.00 0.44 C ATOM 1566 CE2 PHE B 10 150.876 -2.801 3.768 1.00 0.43 C ATOM 1567 CZ PHE B 10 150.401 -2.080 4.870 1.00 0.43 C ATOM 0 H PHE B 10 156.249 -5.352 5.644 1.00 0.46 H new ATOM 0 HA PHE B 10 153.692 -5.057 6.906 1.00 0.43 H new ATOM 0 HB2 PHE B 10 154.974 -3.358 5.486 1.00 0.45 H new ATOM 0 HB3 PHE B 10 154.569 -4.307 4.070 1.00 0.45 H new ATOM 0 HD1 PHE B 10 153.006 -2.579 7.003 1.00 0.44 H new ATOM 0 HD2 PHE B 10 152.486 -3.995 2.981 1.00 0.43 H new ATOM 0 HE1 PHE B 10 150.804 -1.444 6.888 1.00 0.44 H new ATOM 0 HE2 PHE B 10 150.283 -2.863 2.868 1.00 0.43 H new ATOM 0 HZ PHE B 10 149.442 -1.586 4.820 1.00 0.43 H new ATOM 1577 N VAL B 11 153.738 -6.948 4.194 1.00 0.37 N ATOM 1578 CA VAL B 11 152.915 -7.957 3.458 1.00 0.35 C ATOM 1579 C VAL B 11 153.041 -9.346 4.097 1.00 0.36 C ATOM 1580 O VAL B 11 152.605 -10.331 3.534 1.00 0.37 O ATOM 1581 CB VAL B 11 153.398 -8.021 2.011 1.00 0.37 C ATOM 1582 CG1 VAL B 11 153.339 -6.622 1.395 1.00 0.44 C ATOM 1583 CG2 VAL B 11 154.839 -8.528 1.979 1.00 0.40 C ATOM 0 H VAL B 11 154.670 -6.789 3.812 1.00 0.37 H new ATOM 0 HA VAL B 11 151.868 -7.656 3.501 1.00 0.35 H new ATOM 0 HB VAL B 11 152.760 -8.698 1.443 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.683 -6.665 0.362 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.313 -6.256 1.421 1.00 0.44 H new ATOM 0 HG13 VAL B 11 153.979 -5.947 1.963 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.186 -8.574 0.947 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.476 -7.849 2.546 1.00 0.40 H new ATOM 0 HG23 VAL B 11 154.885 -9.523 2.422 1.00 0.40 H new ATOM 1593 N ALA B 12 153.615 -9.433 5.272 1.00 0.41 N ATOM 1594 CA ALA B 12 153.752 -10.759 5.961 1.00 0.47 C ATOM 1595 C ALA B 12 152.773 -10.835 7.138 1.00 0.45 C ATOM 1596 O ALA B 12 152.549 -11.887 7.703 1.00 0.48 O ATOM 1597 CB ALA B 12 155.184 -10.919 6.477 1.00 0.53 C ATOM 0 H ALA B 12 153.997 -8.640 5.788 1.00 0.41 H new ATOM 0 HA ALA B 12 153.527 -11.558 5.254 1.00 0.47 H new ATOM 0 HB1 ALA B 12 155.285 -11.882 6.978 1.00 0.53 H new ATOM 0 HB2 ALA B 12 155.880 -10.871 5.640 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.408 -10.118 7.182 1.00 0.53 H new ATOM 1603 N GLU B 13 152.182 -9.731 7.509 1.00 0.42 N ATOM 1604 CA GLU B 13 151.212 -9.745 8.644 1.00 0.43 C ATOM 1605 C GLU B 13 150.260 -8.548 8.502 1.00 0.39 C ATOM 1606 O GLU B 13 150.636 -7.529 7.961 1.00 0.36 O ATOM 1607 CB GLU B 13 151.981 -9.635 9.964 1.00 0.46 C ATOM 1608 CG GLU B 13 153.018 -8.515 9.856 1.00 0.48 C ATOM 1609 CD GLU B 13 153.689 -8.307 11.215 1.00 0.62 C ATOM 1610 OE1 GLU B 13 153.202 -8.862 12.186 1.00 1.27 O ATOM 1611 OE2 GLU B 13 154.678 -7.595 11.261 1.00 1.04 O ATOM 0 H GLU B 13 152.329 -8.819 7.076 1.00 0.42 H new ATOM 0 HA GLU B 13 150.639 -10.672 8.634 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.292 -9.430 10.783 1.00 0.46 H new ATOM 0 HB3 GLU B 13 152.473 -10.581 10.191 1.00 0.46 H new ATOM 0 HG2 GLU B 13 153.766 -8.769 9.105 1.00 0.48 H new ATOM 0 HG3 GLU B 13 152.539 -7.592 9.530 1.00 0.48 H new ATOM 1618 N PRO B 14 149.045 -8.646 8.995 1.00 0.42 N ATOM 1619 CA PRO B 14 148.073 -7.522 8.917 1.00 0.40 C ATOM 1620 C PRO B 14 148.752 -6.169 9.175 1.00 0.36 C ATOM 1621 O PRO B 14 149.834 -6.106 9.725 1.00 0.36 O ATOM 1622 CB PRO B 14 147.066 -7.846 10.028 1.00 0.45 C ATOM 1623 CG PRO B 14 147.080 -9.343 10.148 1.00 0.49 C ATOM 1624 CD PRO B 14 148.464 -9.823 9.668 1.00 0.48 C ATOM 0 HA PRO B 14 147.615 -7.433 7.932 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.351 -7.373 10.968 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.071 -7.480 9.776 1.00 0.45 H new ATOM 0 HG2 PRO B 14 146.903 -9.648 11.179 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.288 -9.785 9.544 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.083 -10.150 10.503 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.377 -10.669 8.986 1.00 0.48 H new ATOM 1632 N MET B 15 148.132 -5.087 8.787 1.00 0.35 N ATOM 1633 CA MET B 15 148.752 -3.748 9.018 1.00 0.34 C ATOM 1634 C MET B 15 148.293 -3.197 10.371 1.00 0.35 C ATOM 1635 O MET B 15 148.916 -2.325 10.944 1.00 0.37 O ATOM 1636 CB MET B 15 148.319 -2.791 7.907 1.00 0.36 C ATOM 1637 CG MET B 15 146.804 -2.886 7.719 1.00 0.40 C ATOM 1638 SD MET B 15 146.226 -1.480 6.733 1.00 0.56 S ATOM 1639 CE MET B 15 146.517 -2.197 5.097 1.00 0.42 C ATOM 0 H MET B 15 147.225 -5.071 8.321 1.00 0.35 H new ATOM 0 HA MET B 15 149.838 -3.845 9.016 1.00 0.34 H new ATOM 0 HB2 MET B 15 148.602 -1.769 8.161 1.00 0.36 H new ATOM 0 HB3 MET B 15 148.829 -3.041 6.977 1.00 0.36 H new ATOM 0 HG2 MET B 15 146.547 -3.822 7.223 1.00 0.40 H new ATOM 0 HG3 MET B 15 146.306 -2.892 8.689 1.00 0.40 H new ATOM 0 HE1 MET B 15 146.658 -1.398 4.369 1.00 0.42 H new ATOM 0 HE2 MET B 15 147.410 -2.822 5.127 1.00 0.42 H new ATOM 0 HE3 MET B 15 145.659 -2.804 4.808 1.00 0.42 H new ATOM 1649 N GLY B 16 147.208 -3.711 10.887 1.00 0.36 N ATOM 1650 CA GLY B 16 146.698 -3.236 12.206 1.00 0.39 C ATOM 1651 C GLY B 16 146.615 -1.706 12.217 1.00 0.38 C ATOM 1652 O GLY B 16 146.211 -1.087 11.253 1.00 0.37 O ATOM 0 H GLY B 16 146.650 -4.444 10.449 1.00 0.36 H new ATOM 0 HA2 GLY B 16 145.714 -3.663 12.400 1.00 0.39 H new ATOM 0 HA3 GLY B 16 147.357 -3.578 13.004 1.00 0.39 H new ATOM 1656 N GLU B 17 146.976 -1.098 13.319 1.00 0.40 N ATOM 1657 CA GLU B 17 146.905 0.393 13.431 1.00 0.41 C ATOM 1658 C GLU B 17 148.304 0.989 13.307 1.00 0.38 C ATOM 1659 O GLU B 17 148.572 2.063 13.805 1.00 0.39 O ATOM 1660 CB GLU B 17 146.328 0.763 14.800 1.00 0.46 C ATOM 1661 CG GLU B 17 144.912 0.201 14.931 1.00 0.50 C ATOM 1662 CD GLU B 17 144.341 0.575 16.301 1.00 0.55 C ATOM 1663 OE1 GLU B 17 144.586 -0.162 17.243 1.00 0.73 O ATOM 1664 OE2 GLU B 17 143.671 1.590 16.384 1.00 0.84 O ATOM 0 H GLU B 17 147.320 -1.574 14.153 1.00 0.40 H new ATOM 0 HA GLU B 17 146.272 0.785 12.635 1.00 0.41 H new ATOM 0 HB2 GLU B 17 146.962 0.365 15.592 1.00 0.46 H new ATOM 0 HB3 GLU B 17 146.312 1.846 14.918 1.00 0.46 H new ATOM 0 HG2 GLU B 17 144.277 0.598 14.139 1.00 0.50 H new ATOM 0 HG3 GLU B 17 144.927 -0.883 14.814 1.00 0.50 H new ATOM 1671 N LYS B 18 149.208 0.306 12.660 1.00 0.36 N ATOM 1672 CA LYS B 18 150.587 0.844 12.530 1.00 0.35 C ATOM 1673 C LYS B 18 150.530 2.182 11.773 1.00 0.31 C ATOM 1674 O LYS B 18 149.658 2.394 10.955 1.00 0.30 O ATOM 1675 CB LYS B 18 151.434 -0.169 11.752 1.00 0.35 C ATOM 1676 CG LYS B 18 151.658 -1.416 12.619 1.00 0.45 C ATOM 1677 CD LYS B 18 152.066 -2.597 11.736 1.00 1.16 C ATOM 1678 CE LYS B 18 153.309 -2.226 10.927 1.00 1.44 C ATOM 1679 NZ LYS B 18 153.909 -3.462 10.349 1.00 2.02 N ATOM 0 H LYS B 18 149.050 -0.599 12.217 1.00 0.36 H new ATOM 0 HA LYS B 18 151.031 1.009 13.512 1.00 0.35 H new ATOM 0 HB2 LYS B 18 150.932 -0.443 10.824 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.391 0.274 11.478 1.00 0.35 H new ATOM 0 HG2 LYS B 18 152.433 -1.220 13.360 1.00 0.45 H new ATOM 0 HG3 LYS B 18 150.747 -1.658 13.166 1.00 0.45 H new ATOM 0 HD2 LYS B 18 152.269 -3.472 12.353 1.00 1.16 H new ATOM 0 HD3 LYS B 18 151.249 -2.862 11.065 1.00 1.16 H new ATOM 0 HE2 LYS B 18 153.044 -1.530 10.131 1.00 1.44 H new ATOM 0 HE3 LYS B 18 154.034 -1.720 11.565 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 154.755 -3.212 9.798 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 154.175 -4.111 11.117 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 153.216 -3.927 9.728 1.00 2.02 H new ATOM 1693 N PRO B 19 151.431 3.095 12.065 1.00 0.31 N ATOM 1694 CA PRO B 19 151.446 4.444 11.416 1.00 0.29 C ATOM 1695 C PRO B 19 151.639 4.384 9.894 1.00 0.25 C ATOM 1696 O PRO B 19 152.128 3.416 9.348 1.00 0.23 O ATOM 1697 CB PRO B 19 152.623 5.177 12.097 1.00 0.32 C ATOM 1698 CG PRO B 19 153.475 4.097 12.689 1.00 0.32 C ATOM 1699 CD PRO B 19 152.530 2.949 13.037 1.00 0.34 C ATOM 0 HA PRO B 19 150.490 4.951 11.543 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.186 5.771 11.377 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.267 5.862 12.866 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.238 3.772 11.982 1.00 0.32 H new ATOM 0 HG3 PRO B 19 153.996 4.455 13.577 1.00 0.32 H new ATOM 0 HD2 PRO B 19 153.023 1.982 12.942 1.00 0.34 H new ATOM 0 HD3 PRO B 19 152.170 3.024 14.063 1.00 0.34 H new ATOM 1707 N VAL B 20 151.245 5.430 9.215 1.00 0.24 N ATOM 1708 CA VAL B 20 151.386 5.472 7.734 1.00 0.22 C ATOM 1709 C VAL B 20 152.857 5.327 7.337 1.00 0.21 C ATOM 1710 O VAL B 20 153.202 4.604 6.424 1.00 0.22 O ATOM 1711 CB VAL B 20 150.835 6.806 7.216 1.00 0.26 C ATOM 1712 CG1 VAL B 20 151.639 7.968 7.806 1.00 0.32 C ATOM 1713 CG2 VAL B 20 150.940 6.844 5.692 1.00 0.28 C ATOM 0 H VAL B 20 150.828 6.263 9.630 1.00 0.24 H new ATOM 0 HA VAL B 20 150.826 4.647 7.294 1.00 0.22 H new ATOM 0 HB VAL B 20 149.791 6.900 7.516 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.241 8.912 7.433 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.564 7.947 8.893 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.684 7.873 7.512 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.548 7.792 5.324 1.00 0.28 H new ATOM 0 HG22 VAL B 20 151.984 6.744 5.397 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.362 6.023 5.267 1.00 0.28 H new ATOM 1723 N GLY B 21 153.720 6.037 8.014 1.00 0.22 N ATOM 1724 CA GLY B 21 155.173 5.982 7.684 1.00 0.21 C ATOM 1725 C GLY B 21 155.674 4.536 7.699 1.00 0.19 C ATOM 1726 O GLY B 21 156.822 4.274 7.399 1.00 0.19 O ATOM 0 H GLY B 21 153.478 6.657 8.787 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.345 6.422 6.702 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.738 6.576 8.403 1.00 0.21 H new ATOM 1730 N SER B 22 154.838 3.590 8.035 1.00 0.20 N ATOM 1731 CA SER B 22 155.295 2.171 8.050 1.00 0.20 C ATOM 1732 C SER B 22 155.221 1.600 6.633 1.00 0.19 C ATOM 1733 O SER B 22 155.845 0.606 6.320 1.00 0.20 O ATOM 1734 CB SER B 22 154.390 1.356 8.975 1.00 0.23 C ATOM 1735 OG SER B 22 154.511 1.849 10.303 1.00 1.24 O ATOM 0 H SER B 22 153.864 3.738 8.298 1.00 0.20 H new ATOM 0 HA SER B 22 156.323 2.122 8.410 1.00 0.20 H new ATOM 0 HB2 SER B 22 153.354 1.424 8.642 1.00 0.23 H new ATOM 0 HB3 SER B 22 154.668 0.303 8.939 1.00 0.23 H new ATOM 0 HG SER B 22 154.358 1.119 10.938 1.00 1.24 H new ATOM 1741 N LEU B 23 154.459 2.218 5.772 1.00 0.18 N ATOM 1742 CA LEU B 23 154.346 1.706 4.378 1.00 0.18 C ATOM 1743 C LEU B 23 155.693 1.846 3.668 1.00 0.18 C ATOM 1744 O LEU B 23 156.374 2.847 3.784 1.00 0.18 O ATOM 1745 CB LEU B 23 153.280 2.505 3.626 1.00 0.19 C ATOM 1746 CG LEU B 23 151.914 2.295 4.295 1.00 0.21 C ATOM 1747 CD1 LEU B 23 150.906 3.279 3.700 1.00 0.23 C ATOM 1748 CD2 LEU B 23 151.420 0.852 4.071 1.00 0.24 C ATOM 0 H LEU B 23 153.911 3.054 5.974 1.00 0.18 H new ATOM 0 HA LEU B 23 154.060 0.654 4.400 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.537 3.564 3.626 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.239 2.186 2.584 1.00 0.19 H new ATOM 0 HG LEU B 23 152.013 2.467 5.367 1.00 0.21 H new ATOM 0 HD11 LEU B 23 149.934 3.134 4.172 1.00 0.23 H new ATOM 0 HD12 LEU B 23 151.246 4.299 3.876 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.818 3.106 2.627 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.451 0.721 4.552 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.324 0.662 3.002 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.136 0.151 4.501 1.00 0.24 H new ATOM 1760 N ALA B 24 156.076 0.843 2.935 1.00 0.18 N ATOM 1761 CA ALA B 24 157.379 0.906 2.215 1.00 0.19 C ATOM 1762 C ALA B 24 157.335 2.003 1.148 1.00 0.19 C ATOM 1763 O ALA B 24 156.384 2.133 0.402 1.00 0.20 O ATOM 1764 CB ALA B 24 157.662 -0.443 1.550 1.00 0.21 C ATOM 0 H ALA B 24 155.546 -0.018 2.802 1.00 0.18 H new ATOM 0 HA ALA B 24 158.170 1.134 2.929 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.615 -0.396 1.023 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.706 -1.222 2.311 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.867 -0.673 0.841 1.00 0.21 H new ATOM 1770 N GLY B 25 158.368 2.799 1.085 1.00 0.20 N ATOM 1771 CA GLY B 25 158.418 3.908 0.082 1.00 0.21 C ATOM 1772 C GLY B 25 157.986 5.215 0.753 1.00 0.20 C ATOM 1773 O GLY B 25 158.300 6.294 0.291 1.00 0.22 O ATOM 0 H GLY B 25 159.187 2.730 1.689 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.427 4.007 -0.318 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.762 3.683 -0.759 1.00 0.21 H new ATOM 1777 N ILE B 26 157.277 5.126 1.849 1.00 0.20 N ATOM 1778 CA ILE B 26 156.831 6.362 2.566 1.00 0.21 C ATOM 1779 C ILE B 26 157.801 6.614 3.718 1.00 0.23 C ATOM 1780 O ILE B 26 157.860 5.846 4.658 1.00 0.25 O ATOM 1781 CB ILE B 26 155.423 6.146 3.131 1.00 0.22 C ATOM 1782 CG1 ILE B 26 154.470 5.692 2.013 1.00 0.22 C ATOM 1783 CG2 ILE B 26 154.911 7.451 3.744 1.00 0.24 C ATOM 1784 CD1 ILE B 26 154.537 6.661 0.826 1.00 0.24 C ATOM 0 H ILE B 26 156.986 4.249 2.281 1.00 0.20 H new ATOM 0 HA ILE B 26 156.816 7.212 1.883 1.00 0.21 H new ATOM 0 HB ILE B 26 155.462 5.374 3.899 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.736 4.687 1.686 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.450 5.643 2.394 1.00 0.22 H new ATOM 0 HG21 ILE B 26 153.910 7.296 4.145 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.579 7.763 4.547 1.00 0.24 H new ATOM 0 HG23 ILE B 26 154.879 8.225 2.977 1.00 0.24 H new ATOM 0 HD11 ILE B 26 153.857 6.325 0.043 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.248 7.659 1.155 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.554 6.688 0.435 1.00 0.24 H new ATOM 1796 N GLY B 27 158.569 7.672 3.670 1.00 0.24 N ATOM 1797 CA GLY B 27 159.530 7.944 4.780 1.00 0.27 C ATOM 1798 C GLY B 27 158.888 8.878 5.808 1.00 0.28 C ATOM 1799 O GLY B 27 157.755 9.296 5.665 1.00 0.27 O ATOM 0 H GLY B 27 158.572 8.356 2.914 1.00 0.24 H new ATOM 0 HA2 GLY B 27 159.821 7.009 5.258 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.439 8.396 4.383 1.00 0.27 H new ATOM 1803 N GLU B 28 159.603 9.193 6.851 1.00 0.30 N ATOM 1804 CA GLU B 28 159.036 10.084 7.902 1.00 0.32 C ATOM 1805 C GLU B 28 158.598 11.418 7.290 1.00 0.32 C ATOM 1806 O GLU B 28 157.576 11.966 7.654 1.00 0.35 O ATOM 1807 CB GLU B 28 160.092 10.345 8.980 1.00 0.36 C ATOM 1808 CG GLU B 28 160.336 9.066 9.784 1.00 0.39 C ATOM 1809 CD GLU B 28 161.392 9.333 10.858 1.00 1.27 C ATOM 1810 OE1 GLU B 28 161.997 10.392 10.814 1.00 2.00 O ATOM 1811 OE2 GLU B 28 161.580 8.475 11.704 1.00 1.64 O ATOM 0 H GLU B 28 160.556 8.872 7.022 1.00 0.30 H new ATOM 0 HA GLU B 28 158.169 9.594 8.345 1.00 0.32 H new ATOM 0 HB2 GLU B 28 161.021 10.679 8.519 1.00 0.36 H new ATOM 0 HB3 GLU B 28 159.760 11.144 9.642 1.00 0.36 H new ATOM 0 HG2 GLU B 28 159.407 8.732 10.247 1.00 0.39 H new ATOM 0 HG3 GLU B 28 160.668 8.266 9.123 1.00 0.39 H new ATOM 1818 N VAL B 29 159.358 11.957 6.378 1.00 0.31 N ATOM 1819 CA VAL B 29 158.967 13.263 5.774 1.00 0.33 C ATOM 1820 C VAL B 29 157.678 13.093 4.965 1.00 0.33 C ATOM 1821 O VAL B 29 156.762 13.883 5.067 1.00 0.35 O ATOM 1822 CB VAL B 29 160.096 13.762 4.863 1.00 0.34 C ATOM 1823 CG1 VAL B 29 159.617 14.968 4.048 1.00 0.38 C ATOM 1824 CG2 VAL B 29 161.296 14.170 5.723 1.00 0.35 C ATOM 0 H VAL B 29 160.227 11.554 6.026 1.00 0.31 H new ATOM 0 HA VAL B 29 158.794 13.993 6.565 1.00 0.33 H new ATOM 0 HB VAL B 29 160.387 12.964 4.180 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.425 15.316 3.404 1.00 0.38 H new ATOM 0 HG12 VAL B 29 158.764 14.677 3.435 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.321 15.770 4.724 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.101 14.525 5.079 1.00 0.35 H new ATOM 0 HG22 VAL B 29 161.000 14.966 6.407 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.642 13.310 6.296 1.00 0.35 H new ATOM 1834 N LEU B 30 157.603 12.072 4.156 1.00 0.32 N ATOM 1835 CA LEU B 30 156.379 11.857 3.333 1.00 0.33 C ATOM 1836 C LEU B 30 155.192 11.556 4.246 1.00 0.32 C ATOM 1837 O LEU B 30 154.080 11.981 4.003 1.00 0.33 O ATOM 1838 CB LEU B 30 156.593 10.677 2.382 1.00 0.33 C ATOM 1839 CG LEU B 30 157.768 10.962 1.435 1.00 0.35 C ATOM 1840 CD1 LEU B 30 158.009 9.731 0.549 1.00 0.36 C ATOM 1841 CD2 LEU B 30 157.451 12.185 0.551 1.00 0.40 C ATOM 0 H LEU B 30 158.338 11.376 4.029 1.00 0.32 H new ATOM 0 HA LEU B 30 156.178 12.759 2.755 1.00 0.33 H new ATOM 0 HB2 LEU B 30 156.790 9.771 2.955 1.00 0.33 H new ATOM 0 HB3 LEU B 30 155.686 10.498 1.804 1.00 0.33 H new ATOM 0 HG LEU B 30 158.662 11.175 2.021 1.00 0.35 H new ATOM 0 HD11 LEU B 30 158.842 9.926 -0.126 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.244 8.871 1.177 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.112 9.520 -0.033 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.290 12.379 -0.117 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.556 11.985 -0.039 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.282 13.057 1.183 1.00 0.40 H new ATOM 1853 N GLY B 31 155.422 10.823 5.297 1.00 0.33 N ATOM 1854 CA GLY B 31 154.309 10.493 6.228 1.00 0.34 C ATOM 1855 C GLY B 31 153.720 11.786 6.787 1.00 0.35 C ATOM 1856 O GLY B 31 152.523 11.920 6.940 1.00 0.36 O ATOM 0 H GLY B 31 156.332 10.438 5.552 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.539 9.925 5.706 1.00 0.34 H new ATOM 0 HA3 GLY B 31 154.673 9.864 7.041 1.00 0.34 H new ATOM 1860 N LYS B 32 154.555 12.739 7.095 1.00 0.35 N ATOM 1861 CA LYS B 32 154.046 14.024 7.647 1.00 0.37 C ATOM 1862 C LYS B 32 153.182 14.734 6.603 1.00 0.37 C ATOM 1863 O LYS B 32 152.168 15.318 6.928 1.00 0.38 O ATOM 1864 CB LYS B 32 155.239 14.920 8.009 1.00 0.40 C ATOM 1865 CG LYS B 32 155.983 14.350 9.233 1.00 1.18 C ATOM 1866 CD LYS B 32 155.320 14.831 10.540 1.00 1.36 C ATOM 1867 CE LYS B 32 155.903 16.188 10.953 1.00 2.07 C ATOM 1868 NZ LYS B 32 155.054 16.790 12.020 1.00 2.75 N ATOM 0 H LYS B 32 155.568 12.683 6.988 1.00 0.35 H new ATOM 0 HA LYS B 32 153.445 13.824 8.534 1.00 0.37 H new ATOM 0 HB2 LYS B 32 155.920 14.991 7.161 1.00 0.40 H new ATOM 0 HB3 LYS B 32 154.892 15.931 8.224 1.00 0.40 H new ATOM 0 HG2 LYS B 32 155.977 13.261 9.195 1.00 1.18 H new ATOM 0 HG3 LYS B 32 157.027 14.664 9.211 1.00 1.18 H new ATOM 0 HD2 LYS B 32 154.242 14.916 10.401 1.00 1.36 H new ATOM 0 HD3 LYS B 32 155.483 14.099 11.331 1.00 1.36 H new ATOM 0 HE2 LYS B 32 156.924 16.063 11.313 1.00 2.07 H new ATOM 0 HE3 LYS B 32 155.949 16.854 10.091 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 155.449 17.710 12.300 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 154.087 16.923 11.660 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 155.032 16.157 12.845 1.00 2.75 H new ATOM 1882 N LYS B 33 153.569 14.708 5.357 1.00 0.35 N ATOM 1883 CA LYS B 33 152.750 15.409 4.329 1.00 0.36 C ATOM 1884 C LYS B 33 151.430 14.661 4.137 1.00 0.34 C ATOM 1885 O LYS B 33 150.372 15.258 4.106 1.00 0.36 O ATOM 1886 CB LYS B 33 153.523 15.457 3.009 1.00 0.36 C ATOM 1887 CG LYS B 33 154.732 16.380 3.173 1.00 0.39 C ATOM 1888 CD LYS B 33 155.520 16.444 1.863 1.00 0.64 C ATOM 1889 CE LYS B 33 156.725 17.370 2.043 1.00 0.66 C ATOM 1890 NZ LYS B 33 157.481 17.456 0.762 1.00 1.56 N ATOM 0 H LYS B 33 154.405 14.238 5.010 1.00 0.35 H new ATOM 0 HA LYS B 33 152.540 16.427 4.656 1.00 0.36 H new ATOM 0 HB2 LYS B 33 153.849 14.456 2.727 1.00 0.36 H new ATOM 0 HB3 LYS B 33 152.878 15.820 2.208 1.00 0.36 H new ATOM 0 HG2 LYS B 33 154.402 17.379 3.458 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.373 16.015 3.976 1.00 0.39 H new ATOM 0 HD2 LYS B 33 155.853 15.446 1.576 1.00 0.64 H new ATOM 0 HD3 LYS B 33 154.882 16.811 1.059 1.00 0.64 H new ATOM 0 HE2 LYS B 33 156.392 18.362 2.349 1.00 0.66 H new ATOM 0 HE3 LYS B 33 157.372 16.993 2.835 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 158.353 16.894 0.835 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 156.894 17.086 -0.013 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 157.724 18.448 0.568 1.00 1.56 H new ATOM 1904 N LEU B 34 151.470 13.361 4.039 1.00 0.32 N ATOM 1905 CA LEU B 34 150.201 12.597 3.888 1.00 0.31 C ATOM 1906 C LEU B 34 149.357 12.828 5.144 1.00 0.31 C ATOM 1907 O LEU B 34 148.152 12.984 5.089 1.00 0.32 O ATOM 1908 CB LEU B 34 150.507 11.103 3.729 1.00 0.28 C ATOM 1909 CG LEU B 34 151.257 10.856 2.413 1.00 0.29 C ATOM 1910 CD1 LEU B 34 151.668 9.379 2.341 1.00 0.29 C ATOM 1911 CD2 LEU B 34 150.356 11.204 1.208 1.00 0.33 C ATOM 0 H LEU B 34 152.320 12.798 4.057 1.00 0.32 H new ATOM 0 HA LEU B 34 149.660 12.933 3.003 1.00 0.31 H new ATOM 0 HB2 LEU B 34 151.107 10.755 4.570 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.580 10.530 3.741 1.00 0.28 H new ATOM 0 HG LEU B 34 152.143 11.490 2.380 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.202 9.195 1.409 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.317 9.140 3.184 1.00 0.29 H new ATOM 0 HD13 LEU B 34 150.778 8.751 2.380 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.902 11.024 0.282 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.462 10.580 1.230 1.00 0.33 H new ATOM 0 HD23 LEU B 34 150.067 12.254 1.261 1.00 0.33 H new ATOM 1923 N GLU B 35 150.001 12.847 6.276 1.00 0.31 N ATOM 1924 CA GLU B 35 149.259 13.065 7.551 1.00 0.34 C ATOM 1925 C GLU B 35 148.559 14.423 7.492 1.00 0.37 C ATOM 1926 O GLU B 35 147.420 14.567 7.894 1.00 0.39 O ATOM 1927 CB GLU B 35 150.244 13.030 8.725 1.00 0.35 C ATOM 1928 CG GLU B 35 149.492 13.224 10.045 1.00 0.92 C ATOM 1929 CD GLU B 35 150.489 13.174 11.205 1.00 1.02 C ATOM 1930 OE1 GLU B 35 151.635 12.837 10.960 1.00 1.68 O ATOM 1931 OE2 GLU B 35 150.088 13.468 12.319 1.00 1.35 O ATOM 0 H GLU B 35 151.008 12.721 6.375 1.00 0.31 H new ATOM 0 HA GLU B 35 148.515 12.281 7.690 1.00 0.34 H new ATOM 0 HB2 GLU B 35 150.776 12.079 8.736 1.00 0.35 H new ATOM 0 HB3 GLU B 35 150.993 13.812 8.605 1.00 0.35 H new ATOM 0 HG2 GLU B 35 148.968 14.180 10.041 1.00 0.92 H new ATOM 0 HG3 GLU B 35 148.737 12.447 10.165 1.00 0.92 H new ATOM 1938 N GLU B 36 149.228 15.418 6.978 1.00 0.39 N ATOM 1939 CA GLU B 36 148.607 16.766 6.868 1.00 0.44 C ATOM 1940 C GLU B 36 147.483 16.703 5.834 1.00 0.45 C ATOM 1941 O GLU B 36 146.600 17.536 5.800 1.00 0.49 O ATOM 1942 CB GLU B 36 149.670 17.781 6.425 1.00 0.46 C ATOM 1943 CG GLU B 36 149.107 19.208 6.497 1.00 1.11 C ATOM 1944 CD GLU B 36 148.237 19.497 5.269 1.00 1.38 C ATOM 1945 OE1 GLU B 36 148.441 18.856 4.251 1.00 1.85 O ATOM 1946 OE2 GLU B 36 147.375 20.357 5.368 1.00 1.99 O ATOM 0 H GLU B 36 150.184 15.354 6.628 1.00 0.39 H new ATOM 0 HA GLU B 36 148.202 17.075 7.832 1.00 0.44 H new ATOM 0 HB2 GLU B 36 150.550 17.697 7.062 1.00 0.46 H new ATOM 0 HB3 GLU B 36 149.991 17.560 5.407 1.00 0.46 H new ATOM 0 HG2 GLU B 36 148.517 19.329 7.406 1.00 1.11 H new ATOM 0 HG3 GLU B 36 149.925 19.927 6.550 1.00 1.11 H new ATOM 1953 N ARG B 37 147.521 15.715 4.983 1.00 0.42 N ATOM 1954 CA ARG B 37 146.467 15.587 3.934 1.00 0.45 C ATOM 1955 C ARG B 37 145.309 14.736 4.468 1.00 0.42 C ATOM 1956 O ARG B 37 144.336 14.504 3.778 1.00 0.43 O ATOM 1957 CB ARG B 37 147.059 14.914 2.690 1.00 0.45 C ATOM 1958 CG ARG B 37 148.112 15.820 2.031 1.00 0.52 C ATOM 1959 CD ARG B 37 147.436 16.904 1.177 1.00 0.86 C ATOM 1960 NE ARG B 37 148.466 17.591 0.347 1.00 1.42 N ATOM 1961 CZ ARG B 37 148.099 18.332 -0.662 1.00 1.87 C ATOM 1962 NH1 ARG B 37 146.830 18.502 -0.917 1.00 2.15 N ATOM 1963 NH2 ARG B 37 148.999 18.909 -1.412 1.00 2.68 N ATOM 0 H ARG B 37 148.237 14.989 4.968 1.00 0.42 H new ATOM 0 HA ARG B 37 146.099 16.579 3.672 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.513 13.962 2.967 1.00 0.45 H new ATOM 0 HB3 ARG B 37 146.265 14.693 1.977 1.00 0.45 H new ATOM 0 HG2 ARG B 37 148.729 16.287 2.799 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.776 15.221 1.408 1.00 0.52 H new ATOM 0 HD2 ARG B 37 146.675 16.457 0.537 1.00 0.86 H new ATOM 0 HD3 ARG B 37 146.929 17.625 1.818 1.00 0.86 H new ATOM 0 HE ARG B 37 149.456 17.482 0.568 1.00 1.42 H new ATOM 0 HH11 ARG B 37 146.127 18.056 -0.328 1.00 2.15 H new ATOM 0 HH12 ARG B 37 146.541 19.081 -1.706 1.00 2.15 H new ATOM 0 HH21 ARG B 37 149.990 18.781 -1.209 1.00 2.68 H new ATOM 0 HH22 ARG B 37 148.711 19.488 -2.201 1.00 2.68 H new ATOM 1977 N GLY B 38 145.388 14.292 5.699 1.00 0.41 N ATOM 1978 CA GLY B 38 144.270 13.483 6.285 1.00 0.39 C ATOM 1979 C GLY B 38 144.588 11.986 6.237 1.00 0.37 C ATOM 1980 O GLY B 38 143.713 11.174 6.013 1.00 0.49 O ATOM 0 H GLY B 38 146.177 14.454 6.324 1.00 0.41 H new ATOM 0 HA2 GLY B 38 144.098 13.788 7.317 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.349 13.680 5.737 1.00 0.39 H new ATOM 1984 N PHE B 39 145.821 11.604 6.462 1.00 0.31 N ATOM 1985 CA PHE B 39 146.193 10.152 6.450 1.00 0.28 C ATOM 1986 C PHE B 39 147.066 9.852 7.672 1.00 0.28 C ATOM 1987 O PHE B 39 148.263 9.670 7.558 1.00 0.28 O ATOM 1988 CB PHE B 39 146.987 9.851 5.185 1.00 0.27 C ATOM 1989 CG PHE B 39 146.085 9.942 3.977 1.00 0.28 C ATOM 1990 CD1 PHE B 39 145.941 11.163 3.312 1.00 0.31 C ATOM 1991 CD2 PHE B 39 145.404 8.810 3.517 1.00 0.27 C ATOM 1992 CE1 PHE B 39 145.115 11.256 2.187 1.00 0.33 C ATOM 1993 CE2 PHE B 39 144.576 8.901 2.389 1.00 0.30 C ATOM 1994 CZ PHE B 39 144.432 10.126 1.725 1.00 0.32 C ATOM 0 H PHE B 39 146.594 12.241 6.655 1.00 0.31 H new ATOM 0 HA PHE B 39 145.293 9.538 6.476 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.812 10.556 5.087 1.00 0.27 H new ATOM 0 HB3 PHE B 39 147.425 8.855 5.248 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.468 12.036 3.667 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.516 7.866 4.030 1.00 0.27 H new ATOM 0 HE1 PHE B 39 145.005 12.200 1.675 1.00 0.33 H new ATOM 0 HE2 PHE B 39 144.050 8.028 2.033 1.00 0.30 H new ATOM 0 HZ PHE B 39 143.794 10.198 0.857 1.00 0.32 H new ATOM 2004 N ASP B 40 146.489 9.824 8.841 1.00 0.30 N ATOM 2005 CA ASP B 40 147.309 9.567 10.062 1.00 0.31 C ATOM 2006 C ASP B 40 147.578 8.069 10.231 1.00 0.29 C ATOM 2007 O ASP B 40 148.370 7.672 11.063 1.00 0.30 O ATOM 2008 CB ASP B 40 146.552 10.079 11.290 1.00 0.35 C ATOM 2009 CG ASP B 40 145.286 9.244 11.496 1.00 0.37 C ATOM 2010 OD1 ASP B 40 144.872 8.591 10.552 1.00 0.36 O ATOM 2011 OD2 ASP B 40 144.754 9.271 12.594 1.00 0.41 O ATOM 0 H ASP B 40 145.492 9.967 9.005 1.00 0.30 H new ATOM 0 HA ASP B 40 148.262 10.085 9.958 1.00 0.31 H new ATOM 0 HB2 ASP B 40 147.188 10.018 12.173 1.00 0.35 H new ATOM 0 HB3 ASP B 40 146.290 11.129 11.157 1.00 0.35 H new ATOM 2016 N LYS B 41 146.917 7.231 9.467 1.00 0.28 N ATOM 2017 CA LYS B 41 147.125 5.751 9.603 1.00 0.28 C ATOM 2018 C LYS B 41 147.342 5.122 8.222 1.00 0.23 C ATOM 2019 O LYS B 41 146.889 5.628 7.215 1.00 0.23 O ATOM 2020 CB LYS B 41 145.883 5.138 10.262 1.00 0.33 C ATOM 2021 CG LYS B 41 145.777 5.597 11.729 1.00 0.47 C ATOM 2022 CD LYS B 41 146.692 4.756 12.630 1.00 0.74 C ATOM 2023 CE LYS B 41 146.419 5.106 14.095 1.00 0.71 C ATOM 2024 NZ LYS B 41 147.156 4.159 14.977 1.00 1.56 N ATOM 0 H LYS B 41 146.242 7.507 8.754 1.00 0.28 H new ATOM 0 HA LYS B 41 148.005 5.559 10.216 1.00 0.28 H new ATOM 0 HB2 LYS B 41 144.988 5.435 9.715 1.00 0.33 H new ATOM 0 HB3 LYS B 41 145.938 4.050 10.217 1.00 0.33 H new ATOM 0 HG2 LYS B 41 146.050 6.649 11.806 1.00 0.47 H new ATOM 0 HG3 LYS B 41 144.745 5.510 12.068 1.00 0.47 H new ATOM 0 HD2 LYS B 41 146.514 3.694 12.459 1.00 0.74 H new ATOM 0 HD3 LYS B 41 147.737 4.948 12.387 1.00 0.74 H new ATOM 0 HE2 LYS B 41 146.732 6.130 14.300 1.00 0.71 H new ATOM 0 HE3 LYS B 41 145.350 5.053 14.300 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 146.495 3.733 15.658 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 147.588 3.410 14.399 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 147.900 4.672 15.492 1.00 1.56 H new ATOM 2038 N ALA B 42 148.058 4.030 8.175 1.00 0.21 N ATOM 2039 CA ALA B 42 148.347 3.357 6.870 1.00 0.20 C ATOM 2040 C ALA B 42 147.066 2.860 6.188 1.00 0.18 C ATOM 2041 O ALA B 42 146.894 3.020 4.996 1.00 0.18 O ATOM 2042 CB ALA B 42 149.269 2.161 7.123 1.00 0.21 C ATOM 0 H ALA B 42 148.460 3.570 8.992 1.00 0.21 H new ATOM 0 HA ALA B 42 148.820 4.085 6.211 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.486 1.663 6.178 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.199 2.508 7.573 1.00 0.21 H new ATOM 0 HB3 ALA B 42 148.779 1.460 7.798 1.00 0.21 H new ATOM 2048 N TYR B 43 146.183 2.224 6.906 1.00 0.18 N ATOM 2049 CA TYR B 43 144.952 1.685 6.255 1.00 0.18 C ATOM 2050 C TYR B 43 144.187 2.806 5.541 1.00 0.17 C ATOM 2051 O TYR B 43 143.369 2.552 4.680 1.00 0.17 O ATOM 2052 CB TYR B 43 144.047 0.997 7.286 1.00 0.20 C ATOM 2053 CG TYR B 43 143.330 2.017 8.135 1.00 0.21 C ATOM 2054 CD1 TYR B 43 142.089 2.501 7.718 1.00 0.21 C ATOM 2055 CD2 TYR B 43 143.887 2.459 9.337 1.00 0.24 C ATOM 2056 CE1 TYR B 43 141.402 3.428 8.498 1.00 0.25 C ATOM 2057 CE2 TYR B 43 143.200 3.394 10.121 1.00 0.28 C ATOM 2058 CZ TYR B 43 141.955 3.878 9.701 1.00 0.27 C ATOM 2059 OH TYR B 43 141.273 4.799 10.473 1.00 0.32 O ATOM 0 H TYR B 43 146.257 2.054 7.909 1.00 0.18 H new ATOM 0 HA TYR B 43 145.256 0.944 5.516 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.319 0.367 6.775 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.644 0.343 7.922 1.00 0.20 H new ATOM 0 HD1 TYR B 43 141.661 2.156 6.789 1.00 0.21 H new ATOM 0 HD2 TYR B 43 144.845 2.081 9.661 1.00 0.24 H new ATOM 0 HE1 TYR B 43 140.441 3.800 8.173 1.00 0.25 H new ATOM 0 HE2 TYR B 43 143.630 3.742 11.049 1.00 0.28 H new ATOM 0 HH TYR B 43 141.796 5.004 11.276 1.00 0.32 H new ATOM 2069 N VAL B 44 144.452 4.041 5.867 1.00 0.18 N ATOM 2070 CA VAL B 44 143.742 5.155 5.175 1.00 0.18 C ATOM 2071 C VAL B 44 144.417 5.369 3.814 1.00 0.17 C ATOM 2072 O VAL B 44 143.799 5.744 2.834 1.00 0.17 O ATOM 2073 CB VAL B 44 143.836 6.436 6.019 1.00 0.20 C ATOM 2074 CG1 VAL B 44 143.024 7.563 5.364 1.00 0.21 C ATOM 2075 CG2 VAL B 44 143.281 6.167 7.423 1.00 0.24 C ATOM 0 H VAL B 44 145.125 4.327 6.578 1.00 0.18 H new ATOM 0 HA VAL B 44 142.688 4.911 5.039 1.00 0.18 H new ATOM 0 HB VAL B 44 144.881 6.738 6.085 1.00 0.20 H new ATOM 0 HG11 VAL B 44 143.098 8.465 5.971 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.417 7.763 4.367 1.00 0.21 H new ATOM 0 HG13 VAL B 44 141.979 7.262 5.288 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.348 7.076 8.021 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.239 5.857 7.349 1.00 0.24 H new ATOM 0 HG23 VAL B 44 143.861 5.376 7.898 1.00 0.24 H new ATOM 2085 N VAL B 45 145.697 5.114 3.767 1.00 0.17 N ATOM 2086 CA VAL B 45 146.457 5.277 2.497 1.00 0.17 C ATOM 2087 C VAL B 45 146.159 4.076 1.599 1.00 0.15 C ATOM 2088 O VAL B 45 146.013 4.208 0.401 1.00 0.15 O ATOM 2089 CB VAL B 45 147.955 5.359 2.802 1.00 0.18 C ATOM 2090 CG1 VAL B 45 148.753 5.310 1.495 1.00 0.22 C ATOM 2091 CG2 VAL B 45 148.259 6.672 3.540 1.00 0.20 C ATOM 0 H VAL B 45 146.252 4.797 4.562 1.00 0.17 H new ATOM 0 HA VAL B 45 146.159 6.195 1.990 1.00 0.17 H new ATOM 0 HB VAL B 45 148.240 4.515 3.430 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.819 5.369 1.717 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.542 4.376 0.974 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.467 6.151 0.863 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.326 6.729 3.757 1.00 0.20 H new ATOM 0 HG22 VAL B 45 147.970 7.516 2.914 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.697 6.703 4.474 1.00 0.20 H new ATOM 2101 N LEU B 46 146.018 2.911 2.171 1.00 0.17 N ATOM 2102 CA LEU B 46 145.674 1.727 1.342 1.00 0.17 C ATOM 2103 C LEU B 46 144.337 2.030 0.674 1.00 0.17 C ATOM 2104 O LEU B 46 144.100 1.693 -0.469 1.00 0.17 O ATOM 2105 CB LEU B 46 145.535 0.479 2.231 1.00 0.22 C ATOM 2106 CG LEU B 46 145.156 -0.747 1.377 1.00 0.25 C ATOM 2107 CD1 LEU B 46 146.269 -1.055 0.358 1.00 0.40 C ATOM 2108 CD2 LEU B 46 144.922 -1.970 2.285 1.00 0.35 C ATOM 0 H LEU B 46 146.126 2.731 3.169 1.00 0.17 H new ATOM 0 HA LEU B 46 146.452 1.532 0.604 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.473 0.291 2.754 1.00 0.22 H new ATOM 0 HB3 LEU B 46 144.774 0.650 2.992 1.00 0.22 H new ATOM 0 HG LEU B 46 144.237 -0.524 0.835 1.00 0.25 H new ATOM 0 HD11 LEU B 46 145.987 -1.923 -0.238 1.00 0.40 H new ATOM 0 HD12 LEU B 46 146.410 -0.196 -0.297 1.00 0.40 H new ATOM 0 HD13 LEU B 46 147.199 -1.264 0.887 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.655 -2.832 1.673 1.00 0.35 H new ATOM 0 HD22 LEU B 46 145.833 -2.189 2.842 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.113 -1.755 2.983 1.00 0.35 H new ATOM 2120 N GLY B 47 143.461 2.674 1.397 1.00 0.17 N ATOM 2121 CA GLY B 47 142.128 3.023 0.845 1.00 0.18 C ATOM 2122 C GLY B 47 142.292 3.821 -0.447 1.00 0.17 C ATOM 2123 O GLY B 47 141.626 3.565 -1.429 1.00 0.18 O ATOM 0 H GLY B 47 143.618 2.975 2.359 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.556 2.115 0.652 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.565 3.606 1.574 1.00 0.18 H new ATOM 2127 N GLN B 48 143.177 4.781 -0.469 1.00 0.17 N ATOM 2128 CA GLN B 48 143.361 5.574 -1.716 1.00 0.18 C ATOM 2129 C GLN B 48 143.783 4.627 -2.847 1.00 0.17 C ATOM 2130 O GLN B 48 143.301 4.719 -3.958 1.00 0.18 O ATOM 2131 CB GLN B 48 144.444 6.637 -1.492 1.00 0.18 C ATOM 2132 CG GLN B 48 144.528 7.567 -2.712 1.00 0.22 C ATOM 2133 CD GLN B 48 143.406 8.611 -2.651 1.00 0.28 C ATOM 2134 OE1 GLN B 48 143.366 9.521 -3.455 1.00 0.97 O ATOM 2135 NE2 GLN B 48 142.490 8.520 -1.726 1.00 1.09 N ATOM 0 H GLN B 48 143.774 5.048 0.314 1.00 0.17 H new ATOM 0 HA GLN B 48 142.428 6.071 -1.984 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.217 7.217 -0.597 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.408 6.156 -1.324 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.498 8.064 -2.735 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.446 6.985 -3.630 1.00 0.22 H new ATOM 0 HE21 GLN B 48 142.522 7.757 -1.050 1.00 1.09 H new ATOM 0 HE22 GLN B 48 141.742 9.212 -1.679 1.00 1.09 H new ATOM 2144 N PHE B 49 144.666 3.707 -2.568 1.00 0.17 N ATOM 2145 CA PHE B 49 145.106 2.743 -3.620 1.00 0.17 C ATOM 2146 C PHE B 49 143.882 1.966 -4.103 1.00 0.18 C ATOM 2147 O PHE B 49 143.715 1.701 -5.276 1.00 0.19 O ATOM 2148 CB PHE B 49 146.132 1.785 -3.007 1.00 0.18 C ATOM 2149 CG PHE B 49 146.635 0.799 -4.042 1.00 0.20 C ATOM 2150 CD1 PHE B 49 147.478 1.236 -5.072 1.00 0.24 C ATOM 2151 CD2 PHE B 49 146.281 -0.557 -3.960 1.00 0.27 C ATOM 2152 CE1 PHE B 49 147.964 0.324 -6.018 1.00 0.27 C ATOM 2153 CE2 PHE B 49 146.765 -1.467 -4.909 1.00 0.31 C ATOM 2154 CZ PHE B 49 147.607 -1.027 -5.936 1.00 0.27 C ATOM 0 H PHE B 49 145.103 3.580 -1.655 1.00 0.17 H new ATOM 0 HA PHE B 49 145.561 3.264 -4.462 1.00 0.17 H new ATOM 0 HB2 PHE B 49 146.970 2.353 -2.602 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.680 1.246 -2.174 1.00 0.18 H new ATOM 0 HD1 PHE B 49 147.754 2.278 -5.137 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.635 -0.899 -3.165 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.614 0.663 -6.811 1.00 0.27 H new ATOM 0 HE2 PHE B 49 146.488 -2.509 -4.848 1.00 0.31 H new ATOM 0 HZ PHE B 49 147.982 -1.730 -6.666 1.00 0.27 H new ATOM 2164 N LEU B 50 143.029 1.607 -3.195 1.00 0.18 N ATOM 2165 CA LEU B 50 141.808 0.853 -3.581 1.00 0.20 C ATOM 2166 C LEU B 50 140.868 1.797 -4.357 1.00 0.21 C ATOM 2167 O LEU B 50 140.237 1.406 -5.319 1.00 0.23 O ATOM 2168 CB LEU B 50 141.137 0.314 -2.306 1.00 0.22 C ATOM 2169 CG LEU B 50 142.097 -0.652 -1.570 1.00 0.23 C ATOM 2170 CD1 LEU B 50 141.562 -0.956 -0.159 1.00 0.27 C ATOM 2171 CD2 LEU B 50 142.234 -1.971 -2.351 1.00 0.27 C ATOM 0 H LEU B 50 143.122 1.802 -2.198 1.00 0.18 H new ATOM 0 HA LEU B 50 142.054 0.008 -4.224 1.00 0.20 H new ATOM 0 HB2 LEU B 50 140.867 1.141 -1.650 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.213 -0.204 -2.563 1.00 0.22 H new ATOM 0 HG LEU B 50 143.074 -0.173 -1.496 1.00 0.23 H new ATOM 0 HD11 LEU B 50 142.245 -1.636 0.350 1.00 0.27 H new ATOM 0 HD12 LEU B 50 141.484 -0.028 0.408 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.578 -1.419 -0.235 1.00 0.27 H new ATOM 0 HD21 LEU B 50 142.912 -2.639 -1.820 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.256 -2.444 -2.441 1.00 0.27 H new ATOM 0 HD23 LEU B 50 142.631 -1.766 -3.345 1.00 0.27 H new ATOM 2183 N VAL B 51 140.758 3.030 -3.930 1.00 0.21 N ATOM 2184 CA VAL B 51 139.848 4.010 -4.616 1.00 0.23 C ATOM 2185 C VAL B 51 140.373 4.373 -6.020 1.00 0.23 C ATOM 2186 O VAL B 51 139.617 4.756 -6.890 1.00 0.25 O ATOM 2187 CB VAL B 51 139.744 5.287 -3.767 1.00 0.25 C ATOM 2188 CG1 VAL B 51 139.045 6.402 -4.557 1.00 0.28 C ATOM 2189 CG2 VAL B 51 138.933 4.991 -2.503 1.00 0.27 C ATOM 0 H VAL B 51 141.263 3.407 -3.128 1.00 0.21 H new ATOM 0 HA VAL B 51 138.867 3.547 -4.726 1.00 0.23 H new ATOM 0 HB VAL B 51 140.750 5.613 -3.503 1.00 0.25 H new ATOM 0 HG11 VAL B 51 138.980 7.299 -3.941 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.616 6.622 -5.459 1.00 0.28 H new ATOM 0 HG13 VAL B 51 138.042 6.078 -4.833 1.00 0.28 H new ATOM 0 HG21 VAL B 51 138.858 5.895 -1.899 1.00 0.27 H new ATOM 0 HG22 VAL B 51 137.934 4.657 -2.782 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.429 4.210 -1.927 1.00 0.27 H new ATOM 2199 N LEU B 52 141.657 4.283 -6.236 1.00 0.22 N ATOM 2200 CA LEU B 52 142.216 4.660 -7.580 1.00 0.23 C ATOM 2201 C LEU B 52 142.205 3.450 -8.516 1.00 0.23 C ATOM 2202 O LEU B 52 142.867 3.445 -9.534 1.00 0.24 O ATOM 2203 CB LEU B 52 143.650 5.181 -7.426 1.00 0.24 C ATOM 2204 CG LEU B 52 143.660 6.506 -6.644 1.00 0.25 C ATOM 2205 CD1 LEU B 52 145.110 6.963 -6.458 1.00 0.30 C ATOM 2206 CD2 LEU B 52 142.870 7.592 -7.409 1.00 0.27 C ATOM 0 H LEU B 52 142.344 3.968 -5.551 1.00 0.22 H new ATOM 0 HA LEU B 52 141.593 5.446 -8.008 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.259 4.441 -6.907 1.00 0.24 H new ATOM 0 HB3 LEU B 52 144.097 5.328 -8.409 1.00 0.24 H new ATOM 0 HG LEU B 52 143.188 6.352 -5.674 1.00 0.25 H new ATOM 0 HD11 LEU B 52 145.127 7.902 -5.905 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.662 6.204 -5.903 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.574 7.108 -7.434 1.00 0.30 H new ATOM 0 HD21 LEU B 52 142.888 8.522 -6.841 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.326 7.754 -8.385 1.00 0.27 H new ATOM 0 HD23 LEU B 52 141.838 7.267 -7.540 1.00 0.27 H new ATOM 2218 N LYS B 53 141.462 2.433 -8.188 1.00 0.23 N ATOM 2219 CA LYS B 53 141.399 1.227 -9.065 1.00 0.24 C ATOM 2220 C LYS B 53 142.802 0.669 -9.291 1.00 0.24 C ATOM 2221 O LYS B 53 143.049 -0.043 -10.243 1.00 0.30 O ATOM 2222 CB LYS B 53 140.752 1.567 -10.406 1.00 0.29 C ATOM 2223 CG LYS B 53 139.269 1.850 -10.181 1.00 0.39 C ATOM 2224 CD LYS B 53 138.609 2.191 -11.514 1.00 0.48 C ATOM 2225 CE LYS B 53 137.125 2.473 -11.287 1.00 0.92 C ATOM 2226 NZ LYS B 53 136.499 2.889 -12.572 1.00 1.71 N ATOM 0 H LYS B 53 140.891 2.382 -7.345 1.00 0.23 H new ATOM 0 HA LYS B 53 140.789 0.473 -8.568 1.00 0.24 H new ATOM 0 HB2 LYS B 53 141.238 2.436 -10.850 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.876 0.740 -11.105 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.785 0.981 -9.735 1.00 0.39 H new ATOM 0 HG3 LYS B 53 139.148 2.676 -9.481 1.00 0.39 H new ATOM 0 HD2 LYS B 53 139.092 3.061 -11.960 1.00 0.48 H new ATOM 0 HD3 LYS B 53 138.731 1.365 -12.215 1.00 0.48 H new ATOM 0 HE2 LYS B 53 136.629 1.583 -10.900 1.00 0.92 H new ATOM 0 HE3 LYS B 53 137.003 3.257 -10.539 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 135.488 3.081 -12.420 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 136.966 3.749 -12.923 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 136.605 2.127 -13.272 1.00 1.71 H new ATOM 2240 N LYS B 54 143.716 0.985 -8.414 1.00 0.23 N ATOM 2241 CA LYS B 54 145.114 0.480 -8.538 1.00 0.26 C ATOM 2242 C LYS B 54 145.736 0.949 -9.858 1.00 0.28 C ATOM 2243 O LYS B 54 146.723 0.400 -10.304 1.00 0.34 O ATOM 2244 CB LYS B 54 145.104 -1.053 -8.495 1.00 0.36 C ATOM 2245 CG LYS B 54 144.270 -1.523 -7.301 1.00 0.67 C ATOM 2246 CD LYS B 54 144.293 -3.052 -7.229 1.00 0.83 C ATOM 2247 CE LYS B 54 143.383 -3.525 -6.093 1.00 1.41 C ATOM 2248 NZ LYS B 54 143.182 -5.000 -6.196 1.00 2.25 N ATOM 0 H LYS B 54 143.550 1.582 -7.603 1.00 0.23 H new ATOM 0 HA LYS B 54 145.707 0.871 -7.711 1.00 0.26 H new ATOM 0 HB2 LYS B 54 144.690 -1.451 -9.421 1.00 0.36 H new ATOM 0 HB3 LYS B 54 146.123 -1.432 -8.413 1.00 0.36 H new ATOM 0 HG2 LYS B 54 144.666 -1.099 -6.378 1.00 0.67 H new ATOM 0 HG3 LYS B 54 143.244 -1.169 -7.399 1.00 0.67 H new ATOM 0 HD2 LYS B 54 143.960 -3.476 -8.176 1.00 0.83 H new ATOM 0 HD3 LYS B 54 145.311 -3.403 -7.063 1.00 0.83 H new ATOM 0 HE2 LYS B 54 143.827 -3.274 -5.129 1.00 1.41 H new ATOM 0 HE3 LYS B 54 142.423 -3.012 -6.145 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 142.294 -5.263 -5.724 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 143.136 -5.275 -7.198 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 143.976 -5.491 -5.738 1.00 2.25 H new ATOM 2262 N ASP B 55 145.202 1.966 -10.482 1.00 0.30 N ATOM 2263 CA ASP B 55 145.828 2.441 -11.751 1.00 0.39 C ATOM 2264 C ASP B 55 147.197 3.037 -11.400 1.00 0.38 C ATOM 2265 O ASP B 55 147.307 3.925 -10.578 1.00 0.37 O ATOM 2266 CB ASP B 55 144.940 3.495 -12.414 1.00 0.47 C ATOM 2267 CG ASP B 55 145.590 3.967 -13.717 1.00 1.18 C ATOM 2268 OD1 ASP B 55 146.692 4.486 -13.653 1.00 1.80 O ATOM 2269 OD2 ASP B 55 144.973 3.803 -14.757 1.00 1.54 O ATOM 0 H ASP B 55 144.376 2.480 -10.176 1.00 0.30 H new ATOM 0 HA ASP B 55 145.945 1.615 -12.453 1.00 0.39 H new ATOM 0 HB2 ASP B 55 143.954 3.078 -12.618 1.00 0.47 H new ATOM 0 HB3 ASP B 55 144.796 4.340 -11.741 1.00 0.47 H new ATOM 2274 N GLU B 56 148.243 2.521 -11.985 1.00 0.39 N ATOM 2275 CA GLU B 56 149.623 3.000 -11.665 1.00 0.38 C ATOM 2276 C GLU B 56 149.847 4.484 -12.008 1.00 0.38 C ATOM 2277 O GLU B 56 150.474 5.202 -11.259 1.00 0.38 O ATOM 2278 CB GLU B 56 150.624 2.147 -12.452 1.00 0.40 C ATOM 2279 CG GLU B 56 152.059 2.479 -12.023 1.00 0.41 C ATOM 2280 CD GLU B 56 152.283 2.034 -10.577 1.00 0.63 C ATOM 2281 OE1 GLU B 56 151.968 2.804 -9.685 1.00 0.88 O ATOM 2282 OE2 GLU B 56 152.771 0.933 -10.387 1.00 0.85 O ATOM 0 H GLU B 56 148.202 1.777 -12.682 1.00 0.39 H new ATOM 0 HA GLU B 56 149.764 2.901 -10.589 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.422 1.089 -12.283 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.505 2.328 -13.520 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.770 1.980 -12.681 1.00 0.41 H new ATOM 0 HG3 GLU B 56 152.237 3.550 -12.115 1.00 0.41 H new ATOM 2289 N ASP B 57 149.373 4.954 -13.127 1.00 0.40 N ATOM 2290 CA ASP B 57 149.612 6.390 -13.486 1.00 0.42 C ATOM 2291 C ASP B 57 148.819 7.316 -12.565 1.00 0.41 C ATOM 2292 O ASP B 57 149.305 8.349 -12.145 1.00 0.41 O ATOM 2293 CB ASP B 57 149.192 6.630 -14.937 1.00 0.45 C ATOM 2294 CG ASP B 57 150.172 5.927 -15.876 1.00 0.47 C ATOM 2295 OD1 ASP B 57 151.294 5.690 -15.459 1.00 0.65 O ATOM 2296 OD2 ASP B 57 149.786 5.636 -16.996 1.00 0.74 O ATOM 0 H ASP B 57 148.835 4.417 -13.807 1.00 0.40 H new ATOM 0 HA ASP B 57 150.674 6.607 -13.367 1.00 0.42 H new ATOM 0 HB2 ASP B 57 148.182 6.254 -15.101 1.00 0.45 H new ATOM 0 HB3 ASP B 57 149.173 7.699 -15.149 1.00 0.45 H new ATOM 2301 N LEU B 58 147.618 6.966 -12.242 1.00 0.40 N ATOM 2302 CA LEU B 58 146.825 7.851 -11.343 1.00 0.40 C ATOM 2303 C LEU B 58 147.422 7.797 -9.937 1.00 0.38 C ATOM 2304 O LEU B 58 147.535 8.800 -9.260 1.00 0.38 O ATOM 2305 CB LEU B 58 145.365 7.399 -11.295 1.00 0.41 C ATOM 2306 CG LEU B 58 144.747 7.446 -12.699 1.00 0.47 C ATOM 2307 CD1 LEU B 58 143.288 6.989 -12.618 1.00 0.45 C ATOM 2308 CD2 LEU B 58 144.813 8.877 -13.265 1.00 0.55 C ATOM 0 H LEU B 58 147.147 6.116 -12.553 1.00 0.40 H new ATOM 0 HA LEU B 58 146.860 8.871 -11.727 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.304 6.386 -10.897 1.00 0.41 H new ATOM 0 HB3 LEU B 58 144.800 8.042 -10.620 1.00 0.41 H new ATOM 0 HG LEU B 58 145.306 6.785 -13.361 1.00 0.47 H new ATOM 0 HD11 LEU B 58 142.841 7.020 -13.612 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.247 5.970 -12.233 1.00 0.45 H new ATOM 0 HD13 LEU B 58 142.736 7.652 -11.952 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.371 8.895 -14.261 1.00 0.55 H new ATOM 0 HD22 LEU B 58 144.262 9.553 -12.611 1.00 0.55 H new ATOM 0 HD23 LEU B 58 145.853 9.197 -13.324 1.00 0.55 H new ATOM 2320 N PHE B 59 147.829 6.636 -9.500 1.00 0.37 N ATOM 2321 CA PHE B 59 148.445 6.528 -8.150 1.00 0.35 C ATOM 2322 C PHE B 59 149.730 7.357 -8.106 1.00 0.36 C ATOM 2323 O PHE B 59 149.959 8.119 -7.189 1.00 0.35 O ATOM 2324 CB PHE B 59 148.756 5.063 -7.835 1.00 0.35 C ATOM 2325 CG PHE B 59 149.385 4.969 -6.466 1.00 0.34 C ATOM 2326 CD1 PHE B 59 148.580 4.800 -5.334 1.00 0.35 C ATOM 2327 CD2 PHE B 59 150.776 5.047 -6.332 1.00 0.37 C ATOM 2328 CE1 PHE B 59 149.166 4.712 -4.065 1.00 0.37 C ATOM 2329 CE2 PHE B 59 151.362 4.958 -5.064 1.00 0.38 C ATOM 2330 CZ PHE B 59 150.558 4.790 -3.931 1.00 0.37 C ATOM 0 H PHE B 59 147.761 5.761 -10.019 1.00 0.37 H new ATOM 0 HA PHE B 59 147.747 6.908 -7.404 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.842 4.470 -7.869 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.431 4.653 -8.587 1.00 0.35 H new ATOM 0 HD1 PHE B 59 147.507 4.737 -5.439 1.00 0.35 H new ATOM 0 HD2 PHE B 59 151.397 5.176 -7.206 1.00 0.37 H new ATOM 0 HE1 PHE B 59 148.545 4.584 -3.191 1.00 0.37 H new ATOM 0 HE2 PHE B 59 152.435 5.019 -4.960 1.00 0.38 H new ATOM 0 HZ PHE B 59 151.011 4.720 -2.953 1.00 0.37 H new ATOM 2340 N ARG B 60 150.581 7.199 -9.087 1.00 0.38 N ATOM 2341 CA ARG B 60 151.862 7.960 -9.096 1.00 0.39 C ATOM 2342 C ARG B 60 151.600 9.466 -9.107 1.00 0.40 C ATOM 2343 O ARG B 60 152.184 10.204 -8.339 1.00 0.39 O ATOM 2344 CB ARG B 60 152.678 7.577 -10.333 1.00 0.43 C ATOM 2345 CG ARG B 60 153.206 6.149 -10.177 1.00 0.44 C ATOM 2346 CD ARG B 60 153.904 5.712 -11.468 1.00 0.51 C ATOM 2347 NE ARG B 60 154.473 4.346 -11.294 1.00 1.31 N ATOM 2348 CZ ARG B 60 154.812 3.642 -12.340 1.00 1.54 C ATOM 2349 NH1 ARG B 60 154.628 4.126 -13.539 1.00 1.15 N ATOM 2350 NH2 ARG B 60 155.325 2.451 -12.186 1.00 2.64 N ATOM 0 H ARG B 60 150.442 6.575 -9.882 1.00 0.38 H new ATOM 0 HA ARG B 60 152.418 7.710 -8.192 1.00 0.39 H new ATOM 0 HB2 ARG B 60 152.059 7.651 -11.227 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.509 8.271 -10.462 1.00 0.43 H new ATOM 0 HG2 ARG B 60 153.903 6.098 -9.340 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.384 5.470 -9.949 1.00 0.44 H new ATOM 0 HD2 ARG B 60 153.195 5.718 -12.296 1.00 0.51 H new ATOM 0 HD3 ARG B 60 154.696 6.417 -11.721 1.00 0.51 H new ATOM 0 HE ARG B 60 154.598 3.961 -10.358 1.00 1.31 H new ATOM 0 HH11 ARG B 60 154.220 5.053 -13.658 1.00 1.15 H new ATOM 0 HH12 ARG B 60 154.893 3.577 -14.357 1.00 1.15 H new ATOM 0 HH21 ARG B 60 155.461 2.071 -11.249 1.00 2.64 H new ATOM 0 HH22 ARG B 60 155.590 1.900 -13.003 1.00 2.64 H new ATOM 2364 N GLU B 61 150.729 9.941 -9.956 1.00 0.42 N ATOM 2365 CA GLU B 61 150.454 11.405 -9.980 1.00 0.44 C ATOM 2366 C GLU B 61 149.837 11.816 -8.644 1.00 0.42 C ATOM 2367 O GLU B 61 150.136 12.864 -8.107 1.00 0.43 O ATOM 2368 CB GLU B 61 149.468 11.732 -11.104 1.00 0.48 C ATOM 2369 CG GLU B 61 150.148 11.547 -12.461 1.00 1.30 C ATOM 2370 CD GLU B 61 149.153 11.877 -13.576 1.00 1.77 C ATOM 2371 OE1 GLU B 61 147.984 12.045 -13.269 1.00 2.33 O ATOM 2372 OE2 GLU B 61 149.575 11.951 -14.719 1.00 2.38 O ATOM 0 H GLU B 61 150.201 9.384 -10.628 1.00 0.42 H new ATOM 0 HA GLU B 61 151.386 11.945 -10.148 1.00 0.44 H new ATOM 0 HB2 GLU B 61 148.594 11.084 -11.034 1.00 0.48 H new ATOM 0 HB3 GLU B 61 149.113 12.758 -11.002 1.00 0.48 H new ATOM 0 HG2 GLU B 61 151.021 12.195 -12.534 1.00 1.30 H new ATOM 0 HG3 GLU B 61 150.502 10.522 -12.566 1.00 1.30 H new ATOM 2379 N TRP B 62 148.975 11.002 -8.107 1.00 0.40 N ATOM 2380 CA TRP B 62 148.334 11.350 -6.809 1.00 0.39 C ATOM 2381 C TRP B 62 149.373 11.477 -5.689 1.00 0.36 C ATOM 2382 O TRP B 62 149.382 12.438 -4.947 1.00 0.36 O ATOM 2383 CB TRP B 62 147.326 10.255 -6.426 1.00 0.38 C ATOM 2384 CG TRP B 62 146.866 10.477 -5.018 1.00 0.36 C ATOM 2385 CD1 TRP B 62 145.897 11.338 -4.633 1.00 0.39 C ATOM 2386 CD2 TRP B 62 147.374 9.861 -3.800 1.00 0.34 C ATOM 2387 NE1 TRP B 62 145.772 11.283 -3.257 1.00 0.37 N ATOM 2388 CE2 TRP B 62 146.662 10.387 -2.697 1.00 0.34 C ATOM 2389 CE3 TRP B 62 148.373 8.902 -3.551 1.00 0.32 C ATOM 2390 CZ2 TRP B 62 146.934 9.975 -1.390 1.00 0.34 C ATOM 2391 CZ3 TRP B 62 148.647 8.486 -2.239 1.00 0.31 C ATOM 2392 CH2 TRP B 62 147.930 9.022 -1.162 1.00 0.32 C ATOM 0 H TRP B 62 148.686 10.111 -8.510 1.00 0.40 H new ATOM 0 HA TRP B 62 147.831 12.310 -6.929 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.475 10.274 -7.106 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.787 9.272 -6.520 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.316 11.966 -5.292 1.00 0.39 H new ATOM 0 HE1 TRP B 62 145.104 11.837 -2.721 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.932 8.483 -4.375 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.378 10.390 -0.562 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.415 7.748 -2.059 1.00 0.31 H new ATOM 0 HH2 TRP B 62 148.147 8.699 -0.155 1.00 0.32 H new ATOM 2403 N LEU B 63 150.227 10.510 -5.547 1.00 0.34 N ATOM 2404 CA LEU B 63 151.236 10.571 -4.453 1.00 0.32 C ATOM 2405 C LEU B 63 152.233 11.699 -4.721 1.00 0.33 C ATOM 2406 O LEU B 63 152.533 12.495 -3.853 1.00 0.32 O ATOM 2407 CB LEU B 63 151.972 9.226 -4.385 1.00 0.31 C ATOM 2408 CG LEU B 63 153.025 9.240 -3.269 1.00 0.30 C ATOM 2409 CD1 LEU B 63 152.351 9.471 -1.905 1.00 0.30 C ATOM 2410 CD2 LEU B 63 153.756 7.893 -3.263 1.00 0.32 C ATOM 0 H LEU B 63 150.273 9.680 -6.138 1.00 0.34 H new ATOM 0 HA LEU B 63 150.738 10.768 -3.504 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.257 8.423 -4.207 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.452 9.019 -5.342 1.00 0.31 H new ATOM 0 HG LEU B 63 153.734 10.048 -3.448 1.00 0.30 H new ATOM 0 HD11 LEU B 63 153.109 9.479 -1.121 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.829 10.428 -1.915 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.637 8.670 -1.712 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.508 7.890 -2.474 1.00 0.32 H new ATOM 0 HD22 LEU B 63 153.040 7.091 -3.085 1.00 0.32 H new ATOM 0 HD23 LEU B 63 154.241 7.738 -4.227 1.00 0.32 H new ATOM 2422 N LYS B 64 152.748 11.775 -5.913 1.00 0.35 N ATOM 2423 CA LYS B 64 153.725 12.849 -6.242 1.00 0.37 C ATOM 2424 C LYS B 64 153.056 14.218 -6.114 1.00 0.38 C ATOM 2425 O LYS B 64 153.593 15.136 -5.526 1.00 0.38 O ATOM 2426 CB LYS B 64 154.242 12.653 -7.668 1.00 0.41 C ATOM 2427 CG LYS B 64 155.319 13.697 -7.970 1.00 0.43 C ATOM 2428 CD LYS B 64 155.899 13.438 -9.361 1.00 0.68 C ATOM 2429 CE LYS B 64 156.916 14.528 -9.707 1.00 1.24 C ATOM 2430 NZ LYS B 64 158.010 14.530 -8.696 1.00 2.10 N ATOM 0 H LYS B 64 152.534 11.136 -6.679 1.00 0.35 H new ATOM 0 HA LYS B 64 154.563 12.798 -5.546 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.651 11.649 -7.783 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.421 12.746 -8.379 1.00 0.41 H new ATOM 0 HG2 LYS B 64 154.894 14.699 -7.922 1.00 0.43 H new ATOM 0 HG3 LYS B 64 156.108 13.649 -7.220 1.00 0.43 H new ATOM 0 HD2 LYS B 64 156.377 12.459 -9.390 1.00 0.68 H new ATOM 0 HD3 LYS B 64 155.100 13.424 -10.102 1.00 0.68 H new ATOM 0 HE2 LYS B 64 157.327 14.354 -10.702 1.00 1.24 H new ATOM 0 HE3 LYS B 64 156.427 15.502 -9.730 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 158.828 15.051 -9.071 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 157.677 14.989 -7.825 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 158.290 13.551 -8.486 1.00 2.10 H new ATOM 2444 N ASP B 65 151.883 14.357 -6.667 1.00 0.41 N ATOM 2445 CA ASP B 65 151.162 15.658 -6.593 1.00 0.44 C ATOM 2446 C ASP B 65 150.733 15.927 -5.150 1.00 0.43 C ATOM 2447 O ASP B 65 150.618 17.061 -4.727 1.00 0.45 O ATOM 2448 CB ASP B 65 149.924 15.610 -7.491 1.00 0.48 C ATOM 2449 CG ASP B 65 149.340 17.017 -7.630 1.00 1.17 C ATOM 2450 OD1 ASP B 65 149.001 17.598 -6.613 1.00 1.90 O ATOM 2451 OD2 ASP B 65 149.243 17.489 -8.751 1.00 1.41 O ATOM 0 H ASP B 65 151.390 13.620 -7.170 1.00 0.41 H new ATOM 0 HA ASP B 65 151.824 16.456 -6.929 1.00 0.44 H new ATOM 0 HB2 ASP B 65 150.188 15.216 -8.472 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.180 14.936 -7.067 1.00 0.48 H new ATOM 2456 N THR B 66 150.463 14.894 -4.399 1.00 0.39 N ATOM 2457 CA THR B 66 150.005 15.093 -2.995 1.00 0.39 C ATOM 2458 C THR B 66 151.179 15.405 -2.065 1.00 0.38 C ATOM 2459 O THR B 66 151.018 16.152 -1.119 1.00 0.40 O ATOM 2460 CB THR B 66 149.288 13.833 -2.503 1.00 0.37 C ATOM 2461 OG1 THR B 66 148.147 13.595 -3.315 1.00 0.37 O ATOM 2462 CG2 THR B 66 148.846 14.029 -1.050 1.00 0.38 C ATOM 0 H THR B 66 150.540 13.922 -4.697 1.00 0.39 H new ATOM 0 HA THR B 66 149.321 15.942 -2.980 1.00 0.39 H new ATOM 0 HB THR B 66 149.966 12.981 -2.564 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.430 13.441 -4.240 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.336 13.131 -0.701 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.720 14.216 -0.426 1.00 0.38 H new ATOM 0 HG23 THR B 66 148.167 14.880 -0.988 1.00 0.38 H new ATOM 2470 N CYS B 67 152.346 14.834 -2.278 1.00 0.36 N ATOM 2471 CA CYS B 67 153.497 15.100 -1.350 1.00 0.37 C ATOM 2472 C CYS B 67 154.774 15.456 -2.116 1.00 0.37 C ATOM 2473 O CYS B 67 155.567 16.260 -1.668 1.00 0.39 O ATOM 2474 CB CYS B 67 153.760 13.846 -0.515 1.00 0.36 C ATOM 2475 SG CYS B 67 154.179 12.467 -1.610 1.00 0.36 S ATOM 0 H CYS B 67 152.550 14.199 -3.050 1.00 0.36 H new ATOM 0 HA CYS B 67 153.231 15.946 -0.717 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.574 14.028 0.186 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.879 13.599 0.077 1.00 0.36 H new ATOM 0 HG CYS B 67 153.299 12.387 -2.564 1.00 0.36 H new ATOM 2481 N GLY B 68 154.984 14.857 -3.266 1.00 0.35 N ATOM 2482 CA GLY B 68 156.218 15.147 -4.069 1.00 0.36 C ATOM 2483 C GLY B 68 157.123 13.913 -4.071 1.00 0.34 C ATOM 2484 O GLY B 68 158.290 13.992 -4.405 1.00 0.33 O ATOM 0 H GLY B 68 154.351 14.176 -3.685 1.00 0.35 H new ATOM 0 HA2 GLY B 68 155.946 15.414 -5.090 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.748 16.000 -3.646 1.00 0.36 H new ATOM 2488 N ALA B 69 156.605 12.769 -3.710 1.00 0.32 N ATOM 2489 CA ALA B 69 157.450 11.542 -3.707 1.00 0.31 C ATOM 2490 C ALA B 69 158.161 11.422 -5.054 1.00 0.31 C ATOM 2491 O ALA B 69 157.687 11.916 -6.058 1.00 0.32 O ATOM 2492 CB ALA B 69 156.571 10.309 -3.484 1.00 0.31 C ATOM 0 H ALA B 69 155.637 12.632 -3.418 1.00 0.32 H new ATOM 0 HA ALA B 69 158.185 11.608 -2.905 1.00 0.31 H new ATOM 0 HB1 ALA B 69 157.193 9.414 -3.483 1.00 0.31 H new ATOM 0 HB2 ALA B 69 156.058 10.396 -2.526 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.835 10.238 -4.284 1.00 0.31 H new ATOM 2498 N ASN B 70 159.297 10.782 -5.090 1.00 0.29 N ATOM 2499 CA ASN B 70 160.035 10.648 -6.379 1.00 0.29 C ATOM 2500 C ASN B 70 159.581 9.374 -7.092 1.00 0.29 C ATOM 2501 O ASN B 70 158.855 8.568 -6.544 1.00 0.29 O ATOM 2502 CB ASN B 70 161.540 10.574 -6.102 1.00 0.29 C ATOM 2503 CG ASN B 70 162.303 10.507 -7.426 1.00 1.07 C ATOM 2504 OD1 ASN B 70 162.604 9.436 -7.916 1.00 1.91 O ATOM 2505 ND2 ASN B 70 162.631 11.616 -8.031 1.00 1.78 N ATOM 0 H ASN B 70 159.746 10.346 -4.284 1.00 0.29 H new ATOM 0 HA ASN B 70 159.827 11.512 -7.010 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.858 11.446 -5.531 1.00 0.29 H new ATOM 0 HB3 ASN B 70 161.766 9.697 -5.496 1.00 0.29 H new ATOM 0 HD21 ASN B 70 163.140 11.584 -8.915 1.00 1.78 H new ATOM 0 HD22 ASN B 70 162.379 12.515 -7.620 1.00 1.78 H new ATOM 2512 N ALA B 71 159.986 9.202 -8.317 1.00 0.31 N ATOM 2513 CA ALA B 71 159.568 7.998 -9.087 1.00 0.33 C ATOM 2514 C ALA B 71 160.040 6.715 -8.398 1.00 0.31 C ATOM 2515 O ALA B 71 159.391 5.694 -8.476 1.00 0.31 O ATOM 2516 CB ALA B 71 160.168 8.059 -10.493 1.00 0.38 C ATOM 0 H ALA B 71 160.593 9.848 -8.822 1.00 0.31 H new ATOM 0 HA ALA B 71 158.479 7.986 -9.140 1.00 0.33 H new ATOM 0 HB1 ALA B 71 159.863 7.178 -11.057 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.814 8.956 -11.001 1.00 0.38 H new ATOM 0 HB3 ALA B 71 161.255 8.086 -10.424 1.00 0.38 H new ATOM 2522 N LYS B 72 161.168 6.740 -7.743 1.00 0.29 N ATOM 2523 CA LYS B 72 161.659 5.491 -7.088 1.00 0.28 C ATOM 2524 C LYS B 72 160.806 5.160 -5.861 1.00 0.26 C ATOM 2525 O LYS B 72 160.481 4.015 -5.606 1.00 0.26 O ATOM 2526 CB LYS B 72 163.117 5.680 -6.666 1.00 0.28 C ATOM 2527 CG LYS B 72 163.989 5.803 -7.917 1.00 1.18 C ATOM 2528 CD LYS B 72 165.452 5.994 -7.507 1.00 1.28 C ATOM 2529 CE LYS B 72 166.319 6.117 -8.761 1.00 2.10 C ATOM 2530 NZ LYS B 72 166.206 4.871 -9.571 1.00 2.57 N ATOM 0 H LYS B 72 161.766 7.559 -7.633 1.00 0.29 H new ATOM 0 HA LYS B 72 161.585 4.666 -7.797 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.217 6.573 -6.049 1.00 0.28 H new ATOM 0 HB3 LYS B 72 163.446 4.835 -6.060 1.00 0.28 H new ATOM 0 HG2 LYS B 72 163.887 4.909 -8.533 1.00 1.18 H new ATOM 0 HG3 LYS B 72 163.657 6.647 -8.522 1.00 1.18 H new ATOM 0 HD2 LYS B 72 165.555 6.888 -6.891 1.00 1.28 H new ATOM 0 HD3 LYS B 72 165.785 5.150 -6.903 1.00 1.28 H new ATOM 0 HE2 LYS B 72 166.002 6.977 -9.352 1.00 2.10 H new ATOM 0 HE3 LYS B 72 167.359 6.288 -8.481 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 167.027 4.793 -10.205 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 166.178 4.047 -8.938 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 165.334 4.903 -10.137 1.00 2.57 H new ATOM 2544 N GLN B 73 160.458 6.151 -5.088 1.00 0.25 N ATOM 2545 CA GLN B 73 159.651 5.899 -3.863 1.00 0.24 C ATOM 2546 C GLN B 73 158.250 5.425 -4.236 1.00 0.25 C ATOM 2547 O GLN B 73 157.667 4.598 -3.564 1.00 0.25 O ATOM 2548 CB GLN B 73 159.555 7.186 -3.038 1.00 0.26 C ATOM 2549 CG GLN B 73 160.932 7.517 -2.459 1.00 0.28 C ATOM 2550 CD GLN B 73 160.843 8.785 -1.608 1.00 1.25 C ATOM 2551 OE1 GLN B 73 160.952 8.726 -0.398 1.00 2.12 O ATOM 2552 NE2 GLN B 73 160.654 9.937 -2.190 1.00 1.89 N ATOM 0 H GLN B 73 160.699 7.128 -5.253 1.00 0.25 H new ATOM 0 HA GLN B 73 160.139 5.122 -3.275 1.00 0.24 H new ATOM 0 HB2 GLN B 73 159.203 8.007 -3.663 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.829 7.063 -2.234 1.00 0.26 H new ATOM 0 HG2 GLN B 73 161.292 6.685 -1.853 1.00 0.28 H new ATOM 0 HG3 GLN B 73 161.652 7.659 -3.265 1.00 0.28 H new ATOM 0 HE21 GLN B 73 160.563 9.987 -3.205 1.00 1.89 H new ATOM 0 HE22 GLN B 73 160.598 10.788 -1.630 1.00 1.89 H new ATOM 2561 N SER B 74 157.699 5.949 -5.296 1.00 0.26 N ATOM 2562 CA SER B 74 156.330 5.536 -5.703 1.00 0.27 C ATOM 2563 C SER B 74 156.328 4.078 -6.170 1.00 0.26 C ATOM 2564 O SER B 74 155.397 3.343 -5.902 1.00 0.26 O ATOM 2565 CB SER B 74 155.843 6.436 -6.834 1.00 0.30 C ATOM 2566 OG SER B 74 154.475 6.153 -7.095 1.00 1.36 O ATOM 0 H SER B 74 158.139 6.646 -5.897 1.00 0.26 H new ATOM 0 HA SER B 74 155.664 5.630 -4.845 1.00 0.27 H new ATOM 0 HB2 SER B 74 155.965 7.484 -6.560 1.00 0.30 H new ATOM 0 HB3 SER B 74 156.440 6.269 -7.731 1.00 0.30 H new ATOM 0 HG SER B 74 153.923 6.908 -6.802 1.00 1.36 H new ATOM 2572 N ARG B 75 157.347 3.641 -6.868 1.00 0.27 N ATOM 2573 CA ARG B 75 157.356 2.224 -7.332 1.00 0.27 C ATOM 2574 C ARG B 75 157.295 1.310 -6.115 1.00 0.26 C ATOM 2575 O ARG B 75 156.682 0.261 -6.153 1.00 0.26 O ATOM 2576 CB ARG B 75 158.619 1.920 -8.141 1.00 0.29 C ATOM 2577 CG ARG B 75 158.555 2.649 -9.484 1.00 0.32 C ATOM 2578 CD ARG B 75 159.798 2.312 -10.308 1.00 0.61 C ATOM 2579 NE ARG B 75 161.018 2.727 -9.563 1.00 1.35 N ATOM 2580 CZ ARG B 75 162.190 2.293 -9.940 1.00 1.82 C ATOM 2581 NH1 ARG B 75 162.294 1.524 -10.990 1.00 1.89 N ATOM 2582 NH2 ARG B 75 163.257 2.629 -9.271 1.00 2.81 N ATOM 0 H ARG B 75 158.161 4.196 -7.132 1.00 0.27 H new ATOM 0 HA ARG B 75 156.493 2.056 -7.976 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.503 2.235 -7.586 1.00 0.29 H new ATOM 0 HB3 ARG B 75 158.710 0.846 -8.303 1.00 0.29 H new ATOM 0 HG2 ARG B 75 157.656 2.356 -10.026 1.00 0.32 H new ATOM 0 HG3 ARG B 75 158.493 3.725 -9.323 1.00 0.32 H new ATOM 0 HD2 ARG B 75 159.831 1.242 -10.514 1.00 0.61 H new ATOM 0 HD3 ARG B 75 159.757 2.821 -11.271 1.00 0.61 H new ATOM 0 HE ARG B 75 160.938 3.350 -8.759 1.00 1.35 H new ATOM 0 HH11 ARG B 75 161.460 1.263 -11.515 1.00 1.89 H new ATOM 0 HH12 ARG B 75 163.210 1.185 -11.285 1.00 1.89 H new ATOM 0 HH21 ARG B 75 163.177 3.232 -8.452 1.00 2.81 H new ATOM 0 HH22 ARG B 75 164.172 2.289 -9.566 1.00 2.81 H new ATOM 2596 N ASP B 76 157.934 1.672 -5.035 1.00 0.24 N ATOM 2597 CA ASP B 76 157.918 0.806 -3.827 1.00 0.24 C ATOM 2598 C ASP B 76 156.521 0.782 -3.215 1.00 0.22 C ATOM 2599 O ASP B 76 156.056 -0.248 -2.770 1.00 0.22 O ATOM 2600 CB ASP B 76 158.907 1.345 -2.794 1.00 0.23 C ATOM 2601 CG ASP B 76 160.339 1.127 -3.288 1.00 0.25 C ATOM 2602 OD1 ASP B 76 160.510 0.381 -4.238 1.00 0.40 O ATOM 2603 OD2 ASP B 76 161.240 1.704 -2.702 1.00 0.39 O ATOM 0 H ASP B 76 158.468 2.536 -4.940 1.00 0.24 H new ATOM 0 HA ASP B 76 158.202 -0.205 -4.118 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.728 2.407 -2.625 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.761 0.841 -1.839 1.00 0.23 H new ATOM 2608 N CYS B 77 155.838 1.894 -3.189 1.00 0.22 N ATOM 2609 CA CYS B 77 154.470 1.897 -2.604 1.00 0.21 C ATOM 2610 C CYS B 77 153.531 1.085 -3.496 1.00 0.22 C ATOM 2611 O CYS B 77 152.700 0.342 -3.015 1.00 0.21 O ATOM 2612 CB CYS B 77 153.965 3.339 -2.508 1.00 0.22 C ATOM 2613 SG CYS B 77 154.897 4.219 -1.231 1.00 0.23 S ATOM 0 H CYS B 77 156.165 2.792 -3.544 1.00 0.22 H new ATOM 0 HA CYS B 77 154.497 1.452 -1.609 1.00 0.21 H new ATOM 0 HB2 CYS B 77 154.080 3.841 -3.469 1.00 0.22 H new ATOM 0 HB3 CYS B 77 152.902 3.348 -2.269 1.00 0.22 H new ATOM 0 HG CYS B 77 155.483 3.359 -0.451 1.00 0.23 H new ATOM 2619 N PHE B 78 153.640 1.218 -4.789 1.00 0.23 N ATOM 2620 CA PHE B 78 152.727 0.445 -5.675 1.00 0.25 C ATOM 2621 C PHE B 78 152.921 -1.049 -5.428 1.00 0.24 C ATOM 2622 O PHE B 78 152.003 -1.749 -5.049 1.00 0.23 O ATOM 2623 CB PHE B 78 153.040 0.770 -7.137 1.00 0.28 C ATOM 2624 CG PHE B 78 152.091 0.015 -8.037 1.00 0.32 C ATOM 2625 CD1 PHE B 78 150.874 0.596 -8.415 1.00 0.36 C ATOM 2626 CD2 PHE B 78 152.430 -1.262 -8.499 1.00 0.38 C ATOM 2627 CE1 PHE B 78 149.996 -0.100 -9.253 1.00 0.40 C ATOM 2628 CE2 PHE B 78 151.552 -1.959 -9.339 1.00 0.43 C ATOM 2629 CZ PHE B 78 150.335 -1.377 -9.716 1.00 0.42 C ATOM 0 H PHE B 78 154.312 1.820 -5.265 1.00 0.23 H new ATOM 0 HA PHE B 78 151.694 0.715 -5.458 1.00 0.25 H new ATOM 0 HB2 PHE B 78 152.946 1.842 -7.310 1.00 0.28 H new ATOM 0 HB3 PHE B 78 154.070 0.499 -7.368 1.00 0.28 H new ATOM 0 HD1 PHE B 78 150.613 1.582 -8.059 1.00 0.36 H new ATOM 0 HD2 PHE B 78 153.369 -1.710 -8.208 1.00 0.38 H new ATOM 0 HE1 PHE B 78 149.057 0.348 -9.543 1.00 0.40 H new ATOM 0 HE2 PHE B 78 151.813 -2.944 -9.696 1.00 0.43 H new ATOM 0 HZ PHE B 78 149.658 -1.914 -10.364 1.00 0.42 H new ATOM 2639 N GLY B 79 154.111 -1.546 -5.636 1.00 0.25 N ATOM 2640 CA GLY B 79 154.373 -2.995 -5.416 1.00 0.25 C ATOM 2641 C GLY B 79 154.085 -3.362 -3.958 1.00 0.23 C ATOM 2642 O GLY B 79 153.612 -4.438 -3.659 1.00 0.24 O ATOM 0 H GLY B 79 154.917 -1.006 -5.951 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.748 -3.591 -6.080 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.410 -3.227 -5.660 1.00 0.25 H new ATOM 2646 N CYS B 80 154.356 -2.470 -3.050 1.00 0.22 N ATOM 2647 CA CYS B 80 154.085 -2.775 -1.618 1.00 0.21 C ATOM 2648 C CYS B 80 152.575 -2.818 -1.386 1.00 0.21 C ATOM 2649 O CYS B 80 152.059 -3.725 -0.762 1.00 0.22 O ATOM 2650 CB CYS B 80 154.707 -1.696 -0.733 1.00 0.22 C ATOM 2651 SG CYS B 80 154.403 -2.090 1.008 1.00 0.24 S ATOM 0 H CYS B 80 154.751 -1.548 -3.234 1.00 0.22 H new ATOM 0 HA CYS B 80 154.522 -3.741 -1.366 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.779 -1.631 -0.920 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.282 -0.722 -0.976 1.00 0.22 H new ATOM 0 HG CYS B 80 154.121 -0.999 1.657 1.00 0.24 H new ATOM 2657 N LEU B 81 151.856 -1.860 -1.900 1.00 0.21 N ATOM 2658 CA LEU B 81 150.377 -1.882 -1.719 1.00 0.21 C ATOM 2659 C LEU B 81 149.782 -3.003 -2.578 1.00 0.21 C ATOM 2660 O LEU B 81 148.894 -3.717 -2.157 1.00 0.22 O ATOM 2661 CB LEU B 81 149.801 -0.538 -2.175 1.00 0.22 C ATOM 2662 CG LEU B 81 150.368 0.605 -1.308 1.00 0.24 C ATOM 2663 CD1 LEU B 81 150.277 1.927 -2.076 1.00 0.29 C ATOM 2664 CD2 LEU B 81 149.558 0.732 -0.013 1.00 0.28 C ATOM 0 H LEU B 81 152.222 -1.071 -2.432 1.00 0.21 H new ATOM 0 HA LEU B 81 150.133 -2.054 -0.671 1.00 0.21 H new ATOM 0 HB2 LEU B 81 150.046 -0.366 -3.223 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.714 -0.556 -2.101 1.00 0.22 H new ATOM 0 HG LEU B 81 151.408 0.382 -1.070 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.678 2.733 -1.462 1.00 0.29 H new ATOM 0 HD12 LEU B 81 150.853 1.852 -2.998 1.00 0.29 H new ATOM 0 HD13 LEU B 81 149.235 2.138 -2.316 1.00 0.29 H new ATOM 0 HD21 LEU B 81 149.965 1.541 0.593 1.00 0.28 H new ATOM 0 HD22 LEU B 81 148.517 0.948 -0.255 1.00 0.28 H new ATOM 0 HD23 LEU B 81 149.615 -0.203 0.545 1.00 0.28 H new ATOM 2676 N ARG B 82 150.263 -3.157 -3.784 1.00 0.22 N ATOM 2677 CA ARG B 82 149.724 -4.226 -4.676 1.00 0.24 C ATOM 2678 C ARG B 82 149.963 -5.594 -4.039 1.00 0.25 C ATOM 2679 O ARG B 82 149.117 -6.464 -4.084 1.00 0.26 O ATOM 2680 CB ARG B 82 150.428 -4.133 -6.046 1.00 0.28 C ATOM 2681 CG ARG B 82 150.077 -5.322 -6.972 1.00 0.32 C ATOM 2682 CD ARG B 82 148.626 -5.237 -7.463 1.00 0.85 C ATOM 2683 NE ARG B 82 148.459 -4.049 -8.346 1.00 1.42 N ATOM 2684 CZ ARG B 82 147.419 -3.967 -9.130 1.00 1.96 C ATOM 2685 NH1 ARG B 82 146.542 -4.932 -9.150 1.00 2.26 N ATOM 2686 NH2 ARG B 82 147.257 -2.923 -9.894 1.00 2.74 N ATOM 0 H ARG B 82 151.006 -2.588 -4.190 1.00 0.22 H new ATOM 0 HA ARG B 82 148.651 -4.095 -4.815 1.00 0.24 H new ATOM 0 HB2 ARG B 82 150.145 -3.200 -6.534 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.507 -4.100 -5.895 1.00 0.28 H new ATOM 0 HG2 ARG B 82 150.753 -5.331 -7.827 1.00 0.32 H new ATOM 0 HG3 ARG B 82 150.228 -6.259 -6.437 1.00 0.32 H new ATOM 0 HD2 ARG B 82 148.363 -6.145 -8.006 1.00 0.85 H new ATOM 0 HD3 ARG B 82 147.948 -5.167 -6.612 1.00 0.85 H new ATOM 0 HE ARG B 82 149.154 -3.303 -8.338 1.00 1.42 H new ATOM 0 HH11 ARG B 82 146.669 -5.749 -8.553 1.00 2.26 H new ATOM 0 HH12 ARG B 82 145.729 -4.869 -9.762 1.00 2.26 H new ATOM 0 HH21 ARG B 82 147.944 -2.169 -9.879 1.00 2.74 H new ATOM 0 HH22 ARG B 82 146.444 -2.860 -10.506 1.00 2.74 H new ATOM 2700 N GLU B 83 151.110 -5.798 -3.454 1.00 0.25 N ATOM 2701 CA GLU B 83 151.401 -7.115 -2.824 1.00 0.27 C ATOM 2702 C GLU B 83 150.550 -7.311 -1.570 1.00 0.27 C ATOM 2703 O GLU B 83 150.074 -8.398 -1.313 1.00 0.28 O ATOM 2704 CB GLU B 83 152.886 -7.205 -2.470 1.00 0.29 C ATOM 2705 CG GLU B 83 153.713 -7.367 -3.751 1.00 0.33 C ATOM 2706 CD GLU B 83 153.469 -8.757 -4.345 1.00 1.20 C ATOM 2707 OE1 GLU B 83 153.692 -9.729 -3.643 1.00 1.91 O ATOM 2708 OE2 GLU B 83 153.065 -8.825 -5.495 1.00 1.57 O ATOM 0 H GLU B 83 151.859 -5.109 -3.385 1.00 0.25 H new ATOM 0 HA GLU B 83 151.154 -7.903 -3.535 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.197 -6.308 -1.935 1.00 0.29 H new ATOM 0 HB3 GLU B 83 153.060 -8.050 -1.804 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.439 -6.598 -4.473 1.00 0.33 H new ATOM 0 HG3 GLU B 83 154.772 -7.235 -3.532 1.00 0.33 H new ATOM 2715 N TRP B 84 150.323 -6.287 -0.785 1.00 0.25 N ATOM 2716 CA TRP B 84 149.472 -6.475 0.420 1.00 0.25 C ATOM 2717 C TRP B 84 148.096 -6.944 -0.051 1.00 0.26 C ATOM 2718 O TRP B 84 147.504 -7.844 0.508 1.00 0.28 O ATOM 2719 CB TRP B 84 149.338 -5.158 1.187 1.00 0.25 C ATOM 2720 CG TRP B 84 148.627 -5.417 2.476 1.00 0.27 C ATOM 2721 CD1 TRP B 84 149.237 -5.752 3.635 1.00 0.30 C ATOM 2722 CD2 TRP B 84 147.199 -5.380 2.760 1.00 0.29 C ATOM 2723 NE1 TRP B 84 148.276 -5.924 4.613 1.00 0.32 N ATOM 2724 CE2 TRP B 84 147.004 -5.705 4.124 1.00 0.32 C ATOM 2725 CE3 TRP B 84 146.064 -5.098 1.977 1.00 0.31 C ATOM 2726 CZ2 TRP B 84 145.731 -5.750 4.691 1.00 0.35 C ATOM 2727 CZ3 TRP B 84 144.780 -5.143 2.546 1.00 0.35 C ATOM 2728 CH2 TRP B 84 144.614 -5.469 3.900 1.00 0.36 C ATOM 0 H TRP B 84 150.686 -5.344 -0.926 1.00 0.25 H new ATOM 0 HA TRP B 84 149.921 -7.210 1.087 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.323 -4.732 1.379 1.00 0.25 H new ATOM 0 HB3 TRP B 84 148.786 -4.430 0.592 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.302 -5.867 3.774 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.482 -6.181 5.578 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.181 -4.846 0.933 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 145.609 -6.000 5.734 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 143.915 -4.925 1.937 1.00 0.35 H new ATOM 0 HH2 TRP B 84 143.624 -5.503 4.331 1.00 0.36 H new ATOM 2739 N CYS B 85 147.590 -6.331 -1.087 1.00 0.27 N ATOM 2740 CA CYS B 85 146.255 -6.725 -1.617 1.00 0.30 C ATOM 2741 C CYS B 85 146.294 -8.196 -2.044 1.00 0.33 C ATOM 2742 O CYS B 85 145.365 -8.942 -1.822 1.00 0.36 O ATOM 2743 CB CYS B 85 145.921 -5.841 -2.827 1.00 0.33 C ATOM 2744 SG CYS B 85 145.316 -4.236 -2.248 1.00 0.33 S ATOM 0 H CYS B 85 148.047 -5.571 -1.591 1.00 0.27 H new ATOM 0 HA CYS B 85 145.493 -6.596 -0.848 1.00 0.30 H new ATOM 0 HB2 CYS B 85 146.806 -5.706 -3.448 1.00 0.33 H new ATOM 0 HB3 CYS B 85 145.167 -6.324 -3.448 1.00 0.33 H new ATOM 0 HG CYS B 85 145.034 -3.484 -3.270 1.00 0.33 H new ATOM 2750 N ASP B 86 147.366 -8.617 -2.646 1.00 0.34 N ATOM 2751 CA ASP B 86 147.470 -10.037 -3.087 1.00 0.40 C ATOM 2752 C ASP B 86 147.325 -10.977 -1.888 1.00 0.41 C ATOM 2753 O ASP B 86 146.803 -12.068 -2.002 1.00 0.43 O ATOM 2754 CB ASP B 86 148.837 -10.269 -3.738 1.00 0.42 C ATOM 2755 CG ASP B 86 148.883 -9.579 -5.103 1.00 0.43 C ATOM 2756 OD1 ASP B 86 148.108 -9.960 -5.963 1.00 0.55 O ATOM 2757 OD2 ASP B 86 149.690 -8.679 -5.262 1.00 0.52 O ATOM 0 H ASP B 86 148.180 -8.039 -2.854 1.00 0.34 H new ATOM 0 HA ASP B 86 146.674 -10.242 -3.803 1.00 0.40 H new ATOM 0 HB2 ASP B 86 149.627 -9.879 -3.096 1.00 0.42 H new ATOM 0 HB3 ASP B 86 149.019 -11.338 -3.854 1.00 0.42 H new ATOM 2762 N ALA B 87 147.804 -10.577 -0.741 1.00 0.40 N ATOM 2763 CA ALA B 87 147.713 -11.466 0.459 1.00 0.43 C ATOM 2764 C ALA B 87 146.444 -11.177 1.275 1.00 0.43 C ATOM 2765 O ALA B 87 145.874 -12.070 1.870 1.00 0.47 O ATOM 2766 CB ALA B 87 148.940 -11.237 1.341 1.00 0.40 C ATOM 0 H ALA B 87 148.254 -9.676 -0.581 1.00 0.40 H new ATOM 0 HA ALA B 87 147.671 -12.501 0.119 1.00 0.43 H new ATOM 0 HB1 ALA B 87 148.883 -11.881 2.219 1.00 0.40 H new ATOM 0 HB2 ALA B 87 149.843 -11.472 0.777 1.00 0.40 H new ATOM 0 HB3 ALA B 87 148.971 -10.194 1.657 1.00 0.40 H new ATOM 2772 N PHE B 88 146.019 -9.936 1.344 1.00 0.39 N ATOM 2773 CA PHE B 88 144.805 -9.583 2.165 1.00 0.44 C ATOM 2774 C PHE B 88 143.607 -9.191 1.292 1.00 0.54 C ATOM 2775 O PHE B 88 142.573 -8.807 1.802 1.00 1.24 O ATOM 2776 CB PHE B 88 145.142 -8.402 3.071 1.00 0.41 C ATOM 2777 CG PHE B 88 146.154 -8.819 4.107 1.00 0.38 C ATOM 2778 CD1 PHE B 88 145.722 -9.354 5.324 1.00 0.43 C ATOM 2779 CD2 PHE B 88 147.520 -8.660 3.855 1.00 0.35 C ATOM 2780 CE1 PHE B 88 146.657 -9.733 6.291 1.00 0.46 C ATOM 2781 CE2 PHE B 88 148.457 -9.035 4.823 1.00 0.39 C ATOM 2782 CZ PHE B 88 148.025 -9.573 6.041 1.00 0.44 C ATOM 0 H PHE B 88 146.459 -9.148 0.868 1.00 0.39 H new ATOM 0 HA PHE B 88 144.533 -10.466 2.743 1.00 0.44 H new ATOM 0 HB2 PHE B 88 145.537 -7.578 2.476 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.238 -8.038 3.560 1.00 0.41 H new ATOM 0 HD1 PHE B 88 144.666 -9.474 5.517 1.00 0.43 H new ATOM 0 HD2 PHE B 88 147.851 -8.248 2.913 1.00 0.35 H new ATOM 0 HE1 PHE B 88 146.324 -10.149 7.231 1.00 0.46 H new ATOM 0 HE2 PHE B 88 149.512 -8.910 4.631 1.00 0.39 H new ATOM 0 HZ PHE B 88 148.748 -9.865 6.788 1.00 0.44 H new ATOM 2792 N LEU B 89 143.732 -9.241 -0.010 1.00 0.39 N ATOM 2793 CA LEU B 89 142.590 -8.822 -0.887 1.00 0.36 C ATOM 2794 C LEU B 89 142.493 -9.754 -2.100 1.00 0.87 C ATOM 2795 O LEU B 89 141.443 -10.350 -2.279 1.00 1.43 O ATOM 2796 CB LEU B 89 142.854 -7.389 -1.363 1.00 0.74 C ATOM 2797 CG LEU B 89 141.583 -6.777 -1.980 1.00 0.47 C ATOM 2798 CD1 LEU B 89 140.666 -6.218 -0.880 1.00 1.00 C ATOM 2799 CD2 LEU B 89 141.975 -5.640 -2.931 1.00 1.27 C ATOM 2800 OXT LEU B 89 143.463 -9.853 -2.832 1.00 1.67 O ATOM 0 H LEU B 89 144.569 -9.551 -0.504 1.00 0.39 H new ATOM 0 HA LEU B 89 141.654 -8.873 -0.331 1.00 0.36 H new ATOM 0 HB2 LEU B 89 143.188 -6.778 -0.524 1.00 0.74 H new ATOM 0 HB3 LEU B 89 143.658 -7.387 -2.099 1.00 0.74 H new ATOM 0 HG LEU B 89 141.050 -7.556 -2.526 1.00 0.47 H new ATOM 0 HD11 LEU B 89 139.773 -5.789 -1.334 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.379 -7.022 -0.202 1.00 1.00 H new ATOM 0 HD13 LEU B 89 141.196 -5.446 -0.322 1.00 1.00 H new ATOM 0 HD21 LEU B 89 141.076 -5.206 -3.369 1.00 1.27 H new ATOM 0 HD22 LEU B 89 142.516 -4.873 -2.377 1.00 1.27 H new ATOM 0 HD23 LEU B 89 142.612 -6.032 -3.724 1.00 1.27 H new