USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 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 NoAdj-H: A 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 53 GLN : amide:sc= -13! C(o=-24!,f=-27!) USER MOD Set 1.2: A 105 HEM CMC :methyl -30:sc= -11.2! (180deg=-9.54!) USER MOD Set 2.1: A 34 TYR OH : rot 14:sc= 0.0797 USER MOD Set 2.2: A 75 SER OG : rot -58:sc= -0.94! USER MOD Set 3.1: A 25 THR OG1 : rot -58:sc= 2.01 USER MOD Set 3.2: A 37 THR OG1 : rot 29:sc= 1.24 USER MOD Set 4.1: A 19 HIS : no HE2:sc= -3.34! C(o=-6.3!,f=-10!) USER MOD Set 4.2: A 24 SER OG : rot 150:sc= -2.97! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 56:sc= 0.197 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 17 GLN : amide:sc= -0.252 K(o=-0.25,f=-2.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -6.26! C(o=-6.3!,f=-4.4!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.0603 X(o=-0.06,f=-0.5) USER MOD Single : A 31 TYR OH : rot -158:sc= -1.56! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 8:sc= 0.567 USER MOD Single : A 61 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.0034) USER MOD Single : A 68 SER OG : rot -99:sc= 0.595 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -14.2! C(o=-14!,f=-16!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -1.42 (180deg=-1.42) USER MOD Single : A 105 HEM CMB :methyl 150:sc= -2.54! (180deg=-2.54!) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.212) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 33.496 3.730 -34.416 1.00 0.00 N ATOM 2 CA ALA A 1 33.187 2.376 -33.992 1.00 0.00 C ATOM 3 C ALA A 1 32.423 2.423 -32.668 1.00 0.00 C ATOM 4 O ALA A 1 32.982 2.794 -31.637 1.00 0.00 O ATOM 5 CB ALA A 1 34.480 1.564 -33.890 1.00 0.00 C ATOM 0 H1 ALA A 1 34.016 3.702 -35.316 1.00 0.00 H new ATOM 0 H2 ALA A 1 32.613 4.264 -34.543 1.00 0.00 H new ATOM 0 H3 ALA A 1 34.081 4.195 -33.693 1.00 0.00 H new ATOM 0 HA ALA A 1 32.549 1.881 -34.724 1.00 0.00 H new ATOM 0 HB1 ALA A 1 34.247 0.548 -33.572 1.00 0.00 H new ATOM 0 HB2 ALA A 1 34.970 1.536 -34.863 1.00 0.00 H new ATOM 0 HB3 ALA A 1 35.145 2.029 -33.162 1.00 0.00 H new ATOM 11 N GLU A 2 31.156 2.040 -32.737 1.00 0.00 N ATOM 12 CA GLU A 2 30.309 2.035 -31.557 1.00 0.00 C ATOM 13 C GLU A 2 28.899 1.563 -31.917 1.00 0.00 C ATOM 14 O GLU A 2 28.604 1.311 -33.085 1.00 0.00 O ATOM 15 CB GLU A 2 30.273 3.416 -30.901 1.00 0.00 C ATOM 16 CG GLU A 2 30.842 3.365 -29.481 1.00 0.00 C ATOM 17 CD GLU A 2 29.963 4.158 -28.510 1.00 0.00 C ATOM 18 OE1 GLU A 2 28.933 3.591 -28.085 1.00 0.00 O ATOM 19 OE2 GLU A 2 30.342 5.310 -28.215 1.00 0.00 O ATOM 0 H GLU A 2 30.696 1.731 -33.593 1.00 0.00 H new ATOM 0 HA GLU A 2 30.732 1.337 -30.835 1.00 0.00 H new ATOM 0 HB2 GLU A 2 30.847 4.122 -31.501 1.00 0.00 H new ATOM 0 HB3 GLU A 2 29.247 3.782 -30.872 1.00 0.00 H new ATOM 0 HG2 GLU A 2 30.912 2.329 -29.150 1.00 0.00 H new ATOM 0 HG3 GLU A 2 31.854 3.771 -29.476 1.00 0.00 H new ATOM 26 N GLU A 3 28.066 1.455 -30.893 1.00 0.00 N ATOM 27 CA GLU A 3 26.694 1.017 -31.086 1.00 0.00 C ATOM 28 C GLU A 3 25.895 1.187 -29.792 1.00 0.00 C ATOM 29 O GLU A 3 26.441 1.602 -28.772 1.00 0.00 O ATOM 30 CB GLU A 3 26.645 -0.431 -31.576 1.00 0.00 C ATOM 31 CG GLU A 3 26.263 -0.498 -33.056 1.00 0.00 C ATOM 32 CD GLU A 3 25.583 -1.828 -33.388 1.00 0.00 C ATOM 33 OE1 GLU A 3 26.287 -2.858 -33.318 1.00 0.00 O ATOM 34 OE2 GLU A 3 24.374 -1.783 -33.705 1.00 0.00 O ATOM 0 H GLU A 3 28.315 1.663 -29.926 1.00 0.00 H new ATOM 0 HA GLU A 3 26.238 1.641 -31.855 1.00 0.00 H new ATOM 0 HB2 GLU A 3 27.616 -0.902 -31.426 1.00 0.00 H new ATOM 0 HB3 GLU A 3 25.923 -0.994 -30.985 1.00 0.00 H new ATOM 0 HG2 GLU A 3 25.594 0.327 -33.300 1.00 0.00 H new ATOM 0 HG3 GLU A 3 27.155 -0.378 -33.671 1.00 0.00 H new ATOM 41 N SER A 4 24.615 0.854 -29.877 1.00 0.00 N ATOM 42 CA SER A 4 23.736 0.965 -28.726 1.00 0.00 C ATOM 43 C SER A 4 22.372 0.350 -29.049 1.00 0.00 C ATOM 44 O SER A 4 22.129 -0.071 -30.178 1.00 0.00 O ATOM 45 CB SER A 4 23.571 2.423 -28.295 1.00 0.00 C ATOM 46 OG SER A 4 24.289 2.710 -27.098 1.00 0.00 O ATOM 0 H SER A 4 24.166 0.507 -30.725 1.00 0.00 H new ATOM 0 HA SER A 4 24.188 0.420 -27.898 1.00 0.00 H new ATOM 0 HB2 SER A 4 23.920 3.079 -29.093 1.00 0.00 H new ATOM 0 HB3 SER A 4 22.513 2.639 -28.144 1.00 0.00 H new ATOM 0 HG SER A 4 25.232 2.470 -27.217 1.00 0.00 H new ATOM 52 N SER A 5 21.518 0.320 -28.036 1.00 0.00 N ATOM 53 CA SER A 5 20.185 -0.237 -28.198 1.00 0.00 C ATOM 54 C SER A 5 19.367 -0.012 -26.925 1.00 0.00 C ATOM 55 O SER A 5 19.875 0.527 -25.943 1.00 0.00 O ATOM 56 CB SER A 5 20.247 -1.728 -28.533 1.00 0.00 C ATOM 57 OG SER A 5 19.355 -2.074 -29.590 1.00 0.00 O ATOM 0 H SER A 5 21.723 0.672 -27.101 1.00 0.00 H new ATOM 0 HA SER A 5 19.700 0.273 -29.030 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.265 -1.994 -28.816 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.000 -2.310 -27.645 1.00 0.00 H new ATOM 0 HG SER A 5 19.425 -3.034 -29.776 1.00 0.00 H new ATOM 63 N LYS A 6 18.114 -0.439 -26.982 1.00 0.00 N ATOM 64 CA LYS A 6 17.219 -0.291 -25.847 1.00 0.00 C ATOM 65 C LYS A 6 15.869 -0.928 -26.179 1.00 0.00 C ATOM 66 O LYS A 6 15.482 -0.994 -27.345 1.00 0.00 O ATOM 67 CB LYS A 6 17.122 1.177 -25.429 1.00 0.00 C ATOM 68 CG LYS A 6 17.786 1.407 -24.070 1.00 0.00 C ATOM 69 CD LYS A 6 17.097 2.540 -23.307 1.00 0.00 C ATOM 70 CE LYS A 6 16.309 1.997 -22.113 1.00 0.00 C ATOM 71 NZ LYS A 6 14.967 2.621 -22.050 1.00 0.00 N ATOM 0 H LYS A 6 17.697 -0.888 -27.798 1.00 0.00 H new ATOM 0 HA LYS A 6 17.614 -0.819 -24.979 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.599 1.805 -26.181 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.075 1.476 -25.381 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.745 0.490 -23.482 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.840 1.648 -24.212 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.842 3.256 -22.960 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.426 3.078 -23.976 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.210 0.915 -22.197 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.853 2.196 -21.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.446 2.241 -21.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.068 3.651 -21.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.444 2.409 -22.924 1.00 0.00 H new ATOM 85 N ALA A 7 15.190 -1.380 -25.136 1.00 0.00 N ATOM 86 CA ALA A 7 13.890 -2.008 -25.303 1.00 0.00 C ATOM 87 C ALA A 7 13.556 -2.818 -24.049 1.00 0.00 C ATOM 88 O ALA A 7 13.976 -3.967 -23.916 1.00 0.00 O ATOM 89 CB ALA A 7 13.898 -2.869 -26.569 1.00 0.00 C ATOM 0 H ALA A 7 15.515 -1.324 -24.171 1.00 0.00 H new ATOM 0 HA ALA A 7 13.112 -1.255 -25.426 1.00 0.00 H new ATOM 0 HB1 ALA A 7 12.923 -3.340 -26.695 1.00 0.00 H new ATOM 0 HB2 ALA A 7 14.112 -2.242 -27.434 1.00 0.00 H new ATOM 0 HB3 ALA A 7 14.664 -3.639 -26.481 1.00 0.00 H new ATOM 95 N VAL A 8 12.803 -2.188 -23.160 1.00 0.00 N ATOM 96 CA VAL A 8 12.407 -2.836 -21.920 1.00 0.00 C ATOM 97 C VAL A 8 12.040 -4.293 -22.206 1.00 0.00 C ATOM 98 O VAL A 8 12.763 -5.208 -21.817 1.00 0.00 O ATOM 99 CB VAL A 8 11.272 -2.052 -21.259 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.412 -1.343 -22.308 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.418 -2.964 -20.375 1.00 0.00 C ATOM 0 H VAL A 8 12.456 -1.235 -23.273 1.00 0.00 H new ATOM 0 HA VAL A 8 13.235 -2.843 -21.211 1.00 0.00 H new ATOM 0 HB VAL A 8 11.719 -1.289 -20.621 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.612 -0.793 -21.812 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.031 -0.649 -22.877 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.980 -2.081 -22.983 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.618 -2.382 -19.917 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.986 -3.759 -20.983 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.041 -3.402 -19.595 1.00 0.00 H new ATOM 111 N LYS A 9 10.915 -4.464 -22.887 1.00 0.00 N ATOM 112 CA LYS A 9 10.442 -5.794 -23.229 1.00 0.00 C ATOM 113 C LYS A 9 9.892 -6.476 -21.975 1.00 0.00 C ATOM 114 O LYS A 9 8.727 -6.868 -21.938 1.00 0.00 O ATOM 115 CB LYS A 9 11.546 -6.591 -23.928 1.00 0.00 C ATOM 116 CG LYS A 9 11.248 -6.749 -25.421 1.00 0.00 C ATOM 117 CD LYS A 9 11.120 -8.226 -25.801 1.00 0.00 C ATOM 118 CE LYS A 9 11.950 -8.544 -27.046 1.00 0.00 C ATOM 119 NZ LYS A 9 11.173 -8.259 -28.274 1.00 0.00 N ATOM 0 H LYS A 9 10.318 -3.703 -23.211 1.00 0.00 H new ATOM 0 HA LYS A 9 9.621 -5.733 -23.944 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.503 -6.086 -23.796 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.638 -7.574 -23.466 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.325 -6.225 -25.669 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.044 -6.287 -26.005 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.450 -8.849 -24.970 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.073 -8.469 -25.985 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.865 -7.951 -27.042 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.249 -9.592 -27.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.751 -8.480 -29.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.312 -8.843 -28.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.909 -7.253 -28.292 1.00 0.00 H new ATOM 133 N TYR A 10 10.756 -6.594 -20.978 1.00 0.00 N ATOM 134 CA TYR A 10 10.372 -7.220 -19.724 1.00 0.00 C ATOM 135 C TYR A 10 10.882 -6.413 -18.529 1.00 0.00 C ATOM 136 O TYR A 10 12.080 -6.153 -18.417 1.00 0.00 O ATOM 137 CB TYR A 10 11.040 -8.597 -19.718 1.00 0.00 C ATOM 138 CG TYR A 10 11.966 -8.845 -20.912 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.226 -8.282 -20.936 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.539 -9.630 -21.963 1.00 0.00 C ATOM 141 CE1 TYR A 10 14.097 -8.515 -22.059 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.410 -9.863 -23.085 1.00 0.00 C ATOM 143 CZ TYR A 10 13.646 -9.295 -23.079 1.00 0.00 C ATOM 144 OH TYR A 10 14.468 -9.514 -24.139 1.00 0.00 O ATOM 0 H TYR A 10 11.721 -6.267 -21.013 1.00 0.00 H new ATOM 0 HA TYR A 10 9.287 -7.282 -19.642 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.613 -8.707 -18.798 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.266 -9.365 -19.706 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.559 -7.667 -20.113 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.552 -10.069 -21.944 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.085 -8.081 -22.091 1.00 0.00 H new ATOM 0 HE2 TYR A 10 12.089 -10.476 -23.914 1.00 0.00 H new ATOM 0 HH TYR A 10 14.015 -10.089 -24.791 1.00 0.00 H new ATOM 154 N TYR A 11 9.949 -6.041 -17.666 1.00 0.00 N ATOM 155 CA TYR A 11 10.289 -5.268 -16.483 1.00 0.00 C ATOM 156 C TYR A 11 9.726 -5.924 -15.220 1.00 0.00 C ATOM 157 O TYR A 11 8.850 -6.783 -15.299 1.00 0.00 O ATOM 158 CB TYR A 11 9.629 -3.900 -16.668 1.00 0.00 C ATOM 159 CG TYR A 11 10.612 -2.776 -17.003 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.892 -2.801 -16.485 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.220 -1.738 -17.823 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.817 -1.744 -16.802 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.145 -0.680 -18.139 1.00 0.00 C ATOM 164 CZ TYR A 11 12.398 -0.735 -17.612 1.00 0.00 C ATOM 165 OH TYR A 11 13.271 0.264 -17.910 1.00 0.00 O ATOM 0 H TYR A 11 8.957 -6.260 -17.762 1.00 0.00 H new ATOM 0 HA TYR A 11 11.371 -5.198 -16.368 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.888 -3.970 -17.464 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.093 -3.640 -15.755 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.199 -3.613 -15.842 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.219 -1.719 -18.228 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.821 -1.752 -16.405 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.851 0.138 -18.780 1.00 0.00 H new ATOM 0 HH TYR A 11 12.835 0.915 -18.499 1.00 0.00 H new ATOM 175 N THR A 12 10.256 -5.496 -14.083 1.00 0.00 N ATOM 176 CA THR A 12 9.818 -6.030 -12.805 1.00 0.00 C ATOM 177 C THR A 12 8.954 -5.008 -12.067 1.00 0.00 C ATOM 178 O THR A 12 9.070 -3.806 -12.302 1.00 0.00 O ATOM 179 CB THR A 12 11.061 -6.454 -12.019 1.00 0.00 C ATOM 180 OG1 THR A 12 11.723 -5.227 -11.726 1.00 0.00 O ATOM 181 CG2 THR A 12 12.066 -7.221 -12.883 1.00 0.00 C ATOM 0 H THR A 12 10.985 -4.785 -14.021 1.00 0.00 H new ATOM 0 HA THR A 12 9.185 -6.907 -12.940 1.00 0.00 H new ATOM 0 HB THR A 12 10.761 -7.072 -11.173 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.540 -5.410 -11.216 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.929 -7.498 -12.278 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.595 -8.121 -13.277 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.391 -6.590 -13.710 1.00 0.00 H new ATOM 189 N LEU A 13 8.105 -5.522 -11.188 1.00 0.00 N ATOM 190 CA LEU A 13 7.220 -4.668 -10.414 1.00 0.00 C ATOM 191 C LEU A 13 8.012 -3.473 -9.877 1.00 0.00 C ATOM 192 O LEU A 13 7.495 -2.358 -9.818 1.00 0.00 O ATOM 193 CB LEU A 13 6.515 -5.477 -9.324 1.00 0.00 C ATOM 194 CG LEU A 13 5.062 -5.863 -9.610 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.458 -6.634 -8.434 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.229 -4.634 -9.978 1.00 0.00 C ATOM 0 H LEU A 13 8.012 -6.519 -10.995 1.00 0.00 H new ATOM 0 HA LEU A 13 6.427 -4.268 -11.046 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.085 -6.390 -9.150 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.542 -4.903 -8.398 1.00 0.00 H new ATOM 0 HG LEU A 13 5.050 -6.529 -10.473 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.425 -6.896 -8.663 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.034 -7.543 -8.261 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.485 -6.012 -7.539 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.201 -4.937 -10.176 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.245 -3.923 -9.152 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.647 -4.165 -10.869 1.00 0.00 H new ATOM 208 N GLU A 14 9.253 -3.746 -9.503 1.00 0.00 N ATOM 209 CA GLU A 14 10.120 -2.707 -8.973 1.00 0.00 C ATOM 210 C GLU A 14 10.485 -1.709 -10.075 1.00 0.00 C ATOM 211 O GLU A 14 10.374 -0.500 -9.884 1.00 0.00 O ATOM 212 CB GLU A 14 11.376 -3.311 -8.342 1.00 0.00 C ATOM 213 CG GLU A 14 11.528 -2.861 -6.887 1.00 0.00 C ATOM 214 CD GLU A 14 11.817 -4.054 -5.973 1.00 0.00 C ATOM 215 OE1 GLU A 14 12.942 -4.590 -6.078 1.00 0.00 O ATOM 216 OE2 GLU A 14 10.908 -4.401 -5.189 1.00 0.00 O ATOM 0 H GLU A 14 9.679 -4.671 -9.556 1.00 0.00 H new ATOM 0 HA GLU A 14 9.581 -2.174 -8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.323 -4.399 -8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.255 -3.011 -8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.337 -2.134 -6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.617 -2.360 -6.560 1.00 0.00 H new ATOM 223 N GLU A 15 10.916 -2.254 -11.204 1.00 0.00 N ATOM 224 CA GLU A 15 11.298 -1.427 -12.335 1.00 0.00 C ATOM 225 C GLU A 15 10.171 -0.455 -12.688 1.00 0.00 C ATOM 226 O GLU A 15 10.424 0.697 -13.034 1.00 0.00 O ATOM 227 CB GLU A 15 11.676 -2.289 -13.542 1.00 0.00 C ATOM 228 CG GLU A 15 12.900 -3.155 -13.235 1.00 0.00 C ATOM 229 CD GLU A 15 14.103 -2.719 -14.073 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.487 -1.537 -13.943 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.612 -3.578 -14.825 1.00 0.00 O ATOM 0 H GLU A 15 11.009 -3.258 -11.359 1.00 0.00 H new ATOM 0 HA GLU A 15 12.177 -0.847 -12.054 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.835 -2.926 -13.816 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.884 -1.649 -14.399 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.145 -3.083 -12.175 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.670 -4.201 -13.438 1.00 0.00 H new ATOM 238 N ILE A 16 8.948 -0.956 -12.586 1.00 0.00 N ATOM 239 CA ILE A 16 7.780 -0.147 -12.891 1.00 0.00 C ATOM 240 C ILE A 16 7.505 0.804 -11.722 1.00 0.00 C ATOM 241 O ILE A 16 7.069 1.936 -11.928 1.00 0.00 O ATOM 242 CB ILE A 16 6.589 -1.037 -13.252 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.017 -2.172 -14.185 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.446 -0.210 -13.843 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.459 -3.514 -13.707 1.00 0.00 C ATOM 0 H ILE A 16 8.741 -1.912 -12.296 1.00 0.00 H new ATOM 0 HA ILE A 16 7.964 0.470 -13.770 1.00 0.00 H new ATOM 0 HB ILE A 16 6.215 -1.495 -12.337 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.666 -1.968 -15.197 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.105 -2.221 -14.229 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.612 -0.867 -14.091 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.119 0.532 -13.115 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.791 0.295 -14.745 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.778 -4.304 -14.387 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.831 -3.726 -12.705 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.370 -3.469 -13.688 1.00 0.00 H new ATOM 257 N GLN A 17 7.771 0.308 -10.523 1.00 0.00 N ATOM 258 CA GLN A 17 7.558 1.098 -9.323 1.00 0.00 C ATOM 259 C GLN A 17 8.468 2.328 -9.329 1.00 0.00 C ATOM 260 O GLN A 17 8.047 3.417 -8.943 1.00 0.00 O ATOM 261 CB GLN A 17 7.783 0.256 -8.064 1.00 0.00 C ATOM 262 CG GLN A 17 6.815 0.663 -6.952 1.00 0.00 C ATOM 263 CD GLN A 17 7.512 1.545 -5.914 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.725 1.674 -5.886 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.681 2.141 -5.064 1.00 0.00 N ATOM 0 H GLN A 17 8.132 -0.631 -10.357 1.00 0.00 H new ATOM 0 HA GLN A 17 6.522 1.436 -9.314 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.649 -0.800 -8.300 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.810 0.378 -7.720 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.968 1.199 -7.380 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.416 -0.228 -6.468 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.675 1.990 -5.143 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.049 2.749 -4.333 1.00 0.00 H new ATOM 274 N LYS A 18 9.698 2.111 -9.770 1.00 0.00 N ATOM 275 CA LYS A 18 10.672 3.190 -9.831 1.00 0.00 C ATOM 276 C LYS A 18 10.191 4.250 -10.824 1.00 0.00 C ATOM 277 O LYS A 18 10.502 5.430 -10.676 1.00 0.00 O ATOM 278 CB LYS A 18 12.064 2.638 -10.148 1.00 0.00 C ATOM 279 CG LYS A 18 12.534 1.678 -9.053 1.00 0.00 C ATOM 280 CD LYS A 18 14.004 1.300 -9.250 1.00 0.00 C ATOM 281 CE LYS A 18 14.892 1.985 -8.212 1.00 0.00 C ATOM 282 NZ LYS A 18 16.285 2.079 -8.700 1.00 0.00 N ATOM 0 H LYS A 18 10.043 1.206 -10.088 1.00 0.00 H new ATOM 0 HA LYS A 18 10.761 3.678 -8.860 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.044 2.120 -11.107 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.772 3.461 -10.244 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.402 2.142 -8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.919 0.778 -9.064 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.118 0.219 -9.174 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.325 1.585 -10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.508 2.982 -7.998 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.865 1.426 -7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.874 2.547 -7.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.654 1.124 -8.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.308 2.632 -9.580 1.00 0.00 H new ATOM 296 N HIS A 19 9.438 3.790 -11.813 1.00 0.00 N ATOM 297 CA HIS A 19 8.911 4.685 -12.830 1.00 0.00 C ATOM 298 C HIS A 19 7.485 5.098 -12.460 1.00 0.00 C ATOM 299 O HIS A 19 6.521 4.458 -12.878 1.00 0.00 O ATOM 300 CB HIS A 19 9.002 4.044 -14.217 1.00 0.00 C ATOM 301 CG HIS A 19 10.382 4.095 -14.827 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.601 4.380 -16.162 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.611 3.895 -14.270 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.906 4.350 -16.389 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.530 4.048 -15.214 1.00 0.00 N ATOM 0 H HIS A 19 9.180 2.810 -11.932 1.00 0.00 H new ATOM 0 HA HIS A 19 9.515 5.591 -12.872 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.685 3.003 -14.147 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.302 4.546 -14.885 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.880 4.580 -16.855 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.803 3.653 -13.235 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.390 4.532 -17.337 1.00 0.00 H new ATOM 314 N ASN A 20 7.396 6.165 -11.679 1.00 0.00 N ATOM 315 CA ASN A 20 6.103 6.671 -11.249 1.00 0.00 C ATOM 316 C ASN A 20 6.121 8.201 -11.286 1.00 0.00 C ATOM 317 O ASN A 20 5.250 8.850 -10.711 1.00 0.00 O ATOM 318 CB ASN A 20 5.793 6.238 -9.816 1.00 0.00 C ATOM 319 CG ASN A 20 4.698 7.113 -9.202 1.00 0.00 C ATOM 320 OD1 ASN A 20 4.831 7.650 -8.116 1.00 0.00 O ATOM 321 ND2 ASN A 20 3.610 7.227 -9.959 1.00 0.00 N ATOM 0 H ASN A 20 8.197 6.693 -11.333 1.00 0.00 H new ATOM 0 HA ASN A 20 5.343 6.271 -11.920 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.477 5.195 -9.808 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.697 6.302 -9.210 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.823 7.791 -9.639 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.563 6.751 -10.860 1.00 0.00 H new ATOM 328 N ASN A 21 7.124 8.733 -11.971 1.00 0.00 N ATOM 329 CA ASN A 21 7.268 10.174 -12.091 1.00 0.00 C ATOM 330 C ASN A 21 6.877 10.604 -13.505 1.00 0.00 C ATOM 331 O ASN A 21 6.835 9.782 -14.418 1.00 0.00 O ATOM 332 CB ASN A 21 8.715 10.606 -11.848 1.00 0.00 C ATOM 333 CG ASN A 21 9.254 10.008 -10.547 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.021 10.510 -9.460 1.00 0.00 O ATOM 335 ND2 ASN A 21 9.987 8.912 -10.717 1.00 0.00 N ATOM 0 H ASN A 21 7.844 8.191 -12.448 1.00 0.00 H new ATOM 0 HA ASN A 21 6.624 10.641 -11.346 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.338 10.289 -12.684 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.771 11.694 -11.803 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.393 8.439 -9.909 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.144 8.544 -11.655 1.00 0.00 H new ATOM 342 N SER A 22 6.602 11.892 -13.643 1.00 0.00 N ATOM 343 CA SER A 22 6.216 12.442 -14.932 1.00 0.00 C ATOM 344 C SER A 22 7.344 12.238 -15.946 1.00 0.00 C ATOM 345 O SER A 22 7.124 12.339 -17.152 1.00 0.00 O ATOM 346 CB SER A 22 5.870 13.927 -14.815 1.00 0.00 C ATOM 347 OG SER A 22 4.608 14.230 -15.404 1.00 0.00 O ATOM 0 H SER A 22 6.639 12.572 -12.883 1.00 0.00 H new ATOM 0 HA SER A 22 5.326 11.915 -15.277 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.858 14.214 -13.764 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.647 14.519 -15.298 1.00 0.00 H new ATOM 0 HG SER A 22 4.423 15.187 -15.307 1.00 0.00 H new ATOM 353 N LYS A 23 8.525 11.955 -15.419 1.00 0.00 N ATOM 354 CA LYS A 23 9.688 11.736 -16.265 1.00 0.00 C ATOM 355 C LYS A 23 9.798 10.247 -16.596 1.00 0.00 C ATOM 356 O LYS A 23 10.445 9.870 -17.571 1.00 0.00 O ATOM 357 CB LYS A 23 10.943 12.316 -15.610 1.00 0.00 C ATOM 358 CG LYS A 23 11.937 12.803 -16.666 1.00 0.00 C ATOM 359 CD LYS A 23 13.204 13.356 -16.012 1.00 0.00 C ATOM 360 CE LYS A 23 13.964 14.269 -16.977 1.00 0.00 C ATOM 361 NZ LYS A 23 15.421 14.033 -16.876 1.00 0.00 N ATOM 0 H LYS A 23 8.703 11.872 -14.418 1.00 0.00 H new ATOM 0 HA LYS A 23 9.577 12.266 -17.211 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.667 13.143 -14.956 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.414 11.558 -14.984 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.197 11.981 -17.333 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.473 13.576 -17.279 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.941 13.911 -15.112 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.847 12.532 -15.702 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.630 14.086 -17.998 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.742 15.312 -16.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.921 14.661 -17.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.738 14.230 -15.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.630 13.042 -17.114 1.00 0.00 H new ATOM 375 N SER A 24 9.158 9.438 -15.763 1.00 0.00 N ATOM 376 CA SER A 24 9.176 7.999 -15.956 1.00 0.00 C ATOM 377 C SER A 24 7.882 7.382 -15.421 1.00 0.00 C ATOM 378 O SER A 24 7.866 6.805 -14.336 1.00 0.00 O ATOM 379 CB SER A 24 10.388 7.367 -15.267 1.00 0.00 C ATOM 380 OG SER A 24 11.359 6.913 -16.207 1.00 0.00 O ATOM 0 H SER A 24 8.624 9.753 -14.953 1.00 0.00 H new ATOM 0 HA SER A 24 9.252 7.799 -17.025 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.845 8.095 -14.597 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.060 6.529 -14.652 1.00 0.00 H new ATOM 0 HG SER A 24 12.252 6.969 -15.808 1.00 0.00 H new ATOM 386 N THR A 25 6.825 7.528 -16.208 1.00 0.00 N ATOM 387 CA THR A 25 5.529 6.994 -15.828 1.00 0.00 C ATOM 388 C THR A 25 5.292 5.640 -16.502 1.00 0.00 C ATOM 389 O THR A 25 4.841 5.583 -17.644 1.00 0.00 O ATOM 390 CB THR A 25 4.466 8.039 -16.173 1.00 0.00 C ATOM 391 OG1 THR A 25 5.148 9.282 -16.041 1.00 0.00 O ATOM 392 CG2 THR A 25 3.354 8.110 -15.125 1.00 0.00 C ATOM 0 H THR A 25 6.841 8.009 -17.107 1.00 0.00 H new ATOM 0 HA THR A 25 5.480 6.802 -14.756 1.00 0.00 H new ATOM 0 HB THR A 25 4.033 7.810 -17.146 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.509 9.362 -15.133 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.626 8.867 -15.418 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.861 7.141 -15.052 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.782 8.373 -14.158 1.00 0.00 H new ATOM 400 N TRP A 26 5.606 4.585 -15.765 1.00 0.00 N ATOM 401 CA TRP A 26 5.432 3.236 -16.277 1.00 0.00 C ATOM 402 C TRP A 26 4.379 2.536 -15.417 1.00 0.00 C ATOM 403 O TRP A 26 4.322 2.746 -14.205 1.00 0.00 O ATOM 404 CB TRP A 26 6.767 2.489 -16.316 1.00 0.00 C ATOM 405 CG TRP A 26 7.457 2.515 -17.682 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.711 1.484 -18.498 1.00 0.00 C ATOM 407 CD2 TRP A 26 7.973 3.679 -18.360 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.351 1.897 -19.649 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.515 3.275 -19.563 1.00 0.00 C ATOM 410 CE3 TRP A 26 7.981 5.032 -17.972 1.00 0.00 C ATOM 411 CZ2 TRP A 26 9.105 4.158 -20.475 1.00 0.00 C ATOM 412 CZ3 TRP A 26 8.574 5.901 -18.894 1.00 0.00 C ATOM 413 CH2 TRP A 26 9.125 5.509 -20.109 1.00 0.00 C ATOM 0 H TRP A 26 5.980 4.637 -14.817 1.00 0.00 H new ATOM 0 HA TRP A 26 5.080 3.257 -17.308 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.437 2.924 -15.574 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.600 1.452 -16.025 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.448 0.459 -18.283 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.649 1.301 -20.421 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.562 5.372 -17.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.522 3.815 -21.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.606 6.951 -18.644 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.566 6.243 -20.767 1.00 0.00 H new ATOM 424 N LEU A 27 3.572 1.717 -16.075 1.00 0.00 N ATOM 425 CA LEU A 27 2.525 0.985 -15.385 1.00 0.00 C ATOM 426 C LEU A 27 2.288 -0.350 -16.096 1.00 0.00 C ATOM 427 O LEU A 27 2.704 -0.531 -17.240 1.00 0.00 O ATOM 428 CB LEU A 27 1.265 1.844 -15.259 1.00 0.00 C ATOM 429 CG LEU A 27 0.235 1.696 -16.380 1.00 0.00 C ATOM 430 CD1 LEU A 27 0.916 1.679 -17.750 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.642 0.463 -16.161 1.00 0.00 C ATOM 0 H LEU A 27 3.623 1.544 -17.079 1.00 0.00 H new ATOM 0 HA LEU A 27 2.831 0.755 -14.365 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.779 1.604 -14.313 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.567 2.890 -15.206 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.422 2.565 -16.357 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.162 1.573 -18.530 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.461 2.611 -17.897 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.611 0.841 -17.801 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.365 0.382 -16.972 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.017 -0.430 -16.142 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.170 0.556 -15.212 1.00 0.00 H new ATOM 443 N ILE A 28 1.622 -1.251 -15.390 1.00 0.00 N ATOM 444 CA ILE A 28 1.327 -2.563 -15.938 1.00 0.00 C ATOM 445 C ILE A 28 -0.181 -2.685 -16.175 1.00 0.00 C ATOM 446 O ILE A 28 -0.975 -2.483 -15.257 1.00 0.00 O ATOM 447 CB ILE A 28 1.898 -3.661 -15.039 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.170 -3.184 -14.335 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.129 -4.951 -15.829 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.279 -3.791 -12.934 1.00 0.00 C ATOM 0 H ILE A 28 1.278 -1.098 -14.442 1.00 0.00 H new ATOM 0 HA ILE A 28 1.814 -2.690 -16.905 1.00 0.00 H new ATOM 0 HB ILE A 28 1.165 -3.886 -14.264 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.043 -3.462 -14.925 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.166 -2.096 -14.265 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.535 -5.715 -15.167 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.183 -5.297 -16.245 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.834 -4.761 -16.639 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.191 -3.437 -12.454 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.416 -3.491 -12.339 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.307 -4.878 -13.010 1.00 0.00 H new ATOM 462 N LEU A 29 -0.529 -3.014 -17.410 1.00 0.00 N ATOM 463 CA LEU A 29 -1.926 -3.166 -17.779 1.00 0.00 C ATOM 464 C LEU A 29 -2.153 -4.570 -18.342 1.00 0.00 C ATOM 465 O LEU A 29 -1.472 -4.982 -19.281 1.00 0.00 O ATOM 466 CB LEU A 29 -2.354 -2.045 -18.729 1.00 0.00 C ATOM 467 CG LEU A 29 -3.726 -1.423 -18.458 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.342 -0.875 -19.746 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.651 -2.419 -17.756 1.00 0.00 C ATOM 0 H LEU A 29 0.133 -3.180 -18.168 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.564 -3.069 -16.900 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.604 -1.255 -18.688 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.349 -2.436 -19.746 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.592 -0.579 -17.781 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.316 -0.439 -19.526 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.688 -0.110 -20.165 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.461 -1.685 -20.466 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.619 -1.952 -17.575 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.785 -3.298 -18.386 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.209 -2.718 -16.805 1.00 0.00 H new ATOM 481 N HIS A 30 -3.110 -5.266 -17.747 1.00 0.00 N ATOM 482 CA HIS A 30 -3.434 -6.615 -18.178 1.00 0.00 C ATOM 483 C HIS A 30 -2.305 -7.566 -17.775 1.00 0.00 C ATOM 484 O HIS A 30 -2.557 -8.626 -17.205 1.00 0.00 O ATOM 485 CB HIS A 30 -3.731 -6.649 -19.678 1.00 0.00 C ATOM 486 CG HIS A 30 -4.519 -7.858 -20.121 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.125 -9.154 -19.840 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.683 -7.954 -20.826 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.018 -9.985 -20.358 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.983 -9.238 -20.969 1.00 0.00 N ATOM 0 H HIS A 30 -3.672 -4.921 -16.969 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.343 -6.953 -17.679 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.283 -5.749 -19.949 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.789 -6.622 -20.225 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.262 -7.125 -21.204 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.987 -11.063 -20.306 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.800 -9.606 -21.455 1.00 0.00 H new ATOM 499 N TYR A 31 -1.086 -7.153 -18.088 1.00 0.00 N ATOM 500 CA TYR A 31 0.081 -7.957 -17.766 1.00 0.00 C ATOM 501 C TYR A 31 1.347 -7.355 -18.382 1.00 0.00 C ATOM 502 O TYR A 31 2.459 -7.729 -18.013 1.00 0.00 O ATOM 503 CB TYR A 31 -0.169 -9.332 -18.385 1.00 0.00 C ATOM 504 CG TYR A 31 0.908 -9.774 -19.378 1.00 0.00 C ATOM 505 CD1 TYR A 31 2.167 -10.108 -18.925 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.619 -9.840 -20.726 1.00 0.00 C ATOM 507 CE1 TYR A 31 3.182 -10.523 -19.859 1.00 0.00 C ATOM 508 CE2 TYR A 31 1.634 -10.255 -21.660 1.00 0.00 C ATOM 509 CZ TYR A 31 2.864 -10.577 -21.180 1.00 0.00 C ATOM 510 OH TYR A 31 3.823 -10.969 -22.063 1.00 0.00 O ATOM 0 H TYR A 31 -0.881 -6.273 -18.561 1.00 0.00 H new ATOM 0 HA TYR A 31 0.228 -8.006 -16.687 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.238 -10.071 -17.587 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.134 -9.320 -18.893 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.392 -10.058 -17.870 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.368 -9.581 -21.080 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.173 -10.785 -19.518 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.422 -10.309 -22.718 1.00 0.00 H new ATOM 0 HH TYR A 31 3.599 -10.637 -22.958 1.00 0.00 H new ATOM 520 N LYS A 32 1.135 -6.437 -19.312 1.00 0.00 N ATOM 521 CA LYS A 32 2.245 -5.781 -19.983 1.00 0.00 C ATOM 522 C LYS A 32 2.468 -4.400 -19.362 1.00 0.00 C ATOM 523 O LYS A 32 1.583 -3.866 -18.694 1.00 0.00 O ATOM 524 CB LYS A 32 2.010 -5.744 -21.495 1.00 0.00 C ATOM 525 CG LYS A 32 1.565 -7.113 -22.015 1.00 0.00 C ATOM 526 CD LYS A 32 0.069 -7.119 -22.334 1.00 0.00 C ATOM 527 CE LYS A 32 -0.202 -7.786 -23.684 1.00 0.00 C ATOM 528 NZ LYS A 32 -1.584 -7.508 -24.131 1.00 0.00 N ATOM 0 H LYS A 32 0.211 -6.131 -19.617 1.00 0.00 H new ATOM 0 HA LYS A 32 3.165 -6.348 -19.839 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.251 -4.998 -21.730 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.926 -5.439 -22.002 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.132 -7.368 -22.910 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.785 -7.878 -21.270 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.472 -7.647 -21.549 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.307 -6.096 -22.348 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.507 -7.420 -24.426 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.050 -8.862 -23.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.751 -7.968 -25.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.257 -7.879 -23.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.717 -6.481 -24.229 1.00 0.00 H new ATOM 542 N VAL A 33 3.654 -3.863 -19.603 1.00 0.00 N ATOM 543 CA VAL A 33 4.004 -2.555 -19.076 1.00 0.00 C ATOM 544 C VAL A 33 3.900 -1.515 -20.192 1.00 0.00 C ATOM 545 O VAL A 33 4.389 -1.737 -21.299 1.00 0.00 O ATOM 546 CB VAL A 33 5.391 -2.605 -18.432 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.396 -3.526 -17.210 1.00 0.00 C ATOM 548 CG2 VAL A 33 6.451 -3.036 -19.447 1.00 0.00 C ATOM 0 H VAL A 33 4.385 -4.310 -20.156 1.00 0.00 H new ATOM 0 HA VAL A 33 3.307 -2.260 -18.292 1.00 0.00 H new ATOM 0 HB VAL A 33 5.640 -1.599 -18.094 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.394 -3.543 -16.772 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.682 -3.157 -16.473 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.116 -4.535 -17.513 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.428 -3.063 -18.964 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.207 -4.027 -19.829 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.475 -2.325 -20.273 1.00 0.00 H new ATOM 558 N TYR A 34 3.261 -0.402 -19.863 1.00 0.00 N ATOM 559 CA TYR A 34 3.087 0.673 -20.825 1.00 0.00 C ATOM 560 C TYR A 34 3.761 1.959 -20.338 1.00 0.00 C ATOM 561 O TYR A 34 3.940 2.153 -19.137 1.00 0.00 O ATOM 562 CB TYR A 34 1.579 0.910 -20.925 1.00 0.00 C ATOM 563 CG TYR A 34 0.776 -0.345 -21.276 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.728 -1.403 -20.390 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.097 -0.417 -22.475 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.029 -2.584 -20.721 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.659 -1.598 -22.805 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.685 -2.623 -21.911 1.00 0.00 C ATOM 569 OH TYR A 34 -1.399 -3.737 -22.223 1.00 0.00 O ATOM 0 H TYR A 34 2.857 -0.221 -18.944 1.00 0.00 H new ATOM 0 HA TYR A 34 3.533 0.406 -21.783 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.219 1.306 -19.975 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.390 1.673 -21.680 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.257 -1.346 -19.450 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.132 0.412 -23.166 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.074 -3.420 -20.038 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.193 -1.668 -23.741 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.519 -4.284 -21.419 1.00 0.00 H new ATOM 579 N ASP A 35 4.115 2.802 -21.296 1.00 0.00 N ATOM 580 CA ASP A 35 4.764 4.063 -20.981 1.00 0.00 C ATOM 581 C ASP A 35 3.700 5.145 -20.783 1.00 0.00 C ATOM 582 O ASP A 35 3.359 5.863 -21.720 1.00 0.00 O ATOM 583 CB ASP A 35 5.685 4.508 -22.118 1.00 0.00 C ATOM 584 CG ASP A 35 6.842 5.416 -21.696 1.00 0.00 C ATOM 585 OD1 ASP A 35 6.712 6.041 -20.623 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.834 5.462 -22.457 1.00 0.00 O ATOM 0 H ASP A 35 3.965 2.637 -22.291 1.00 0.00 H new ATOM 0 HA ASP A 35 5.353 3.921 -20.075 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.096 3.621 -22.600 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.088 5.030 -22.866 1.00 0.00 H new ATOM 591 N LEU A 36 3.206 5.226 -19.555 1.00 0.00 N ATOM 592 CA LEU A 36 2.188 6.207 -19.222 1.00 0.00 C ATOM 593 C LEU A 36 2.697 7.605 -19.578 1.00 0.00 C ATOM 594 O LEU A 36 1.917 8.473 -19.967 1.00 0.00 O ATOM 595 CB LEU A 36 1.762 6.062 -17.760 1.00 0.00 C ATOM 596 CG LEU A 36 0.829 4.890 -17.446 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.024 5.155 -16.173 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.074 4.573 -18.641 1.00 0.00 C ATOM 0 H LEU A 36 3.492 4.628 -18.780 1.00 0.00 H new ATOM 0 HA LEU A 36 1.287 6.036 -19.811 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.659 5.960 -17.149 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.270 6.985 -17.452 1.00 0.00 H new ATOM 0 HG LEU A 36 1.440 4.007 -17.261 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.631 4.307 -15.973 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.706 5.293 -15.334 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.578 6.055 -16.304 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.727 3.737 -18.392 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.679 5.447 -18.882 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.541 4.309 -19.502 1.00 0.00 H new ATOM 610 N THR A 37 4.003 7.779 -19.431 1.00 0.00 N ATOM 611 CA THR A 37 4.625 9.057 -19.733 1.00 0.00 C ATOM 612 C THR A 37 4.256 9.511 -21.146 1.00 0.00 C ATOM 613 O THR A 37 4.324 10.698 -21.459 1.00 0.00 O ATOM 614 CB THR A 37 6.133 8.911 -19.517 1.00 0.00 C ATOM 615 OG1 THR A 37 6.368 9.555 -18.268 1.00 0.00 O ATOM 616 CG2 THR A 37 6.951 9.728 -20.518 1.00 0.00 C ATOM 0 H THR A 37 4.646 7.057 -19.107 1.00 0.00 H new ATOM 0 HA THR A 37 4.260 9.840 -19.069 1.00 0.00 H new ATOM 0 HB THR A 37 6.410 7.860 -19.596 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.565 9.490 -17.710 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.014 9.588 -20.320 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.724 9.395 -21.531 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.699 10.784 -20.418 1.00 0.00 H new ATOM 624 N LYS A 38 3.871 8.541 -21.963 1.00 0.00 N ATOM 625 CA LYS A 38 3.490 8.825 -23.336 1.00 0.00 C ATOM 626 C LYS A 38 1.985 9.095 -23.398 1.00 0.00 C ATOM 627 O LYS A 38 1.523 9.874 -24.230 1.00 0.00 O ATOM 628 CB LYS A 38 3.952 7.701 -24.265 1.00 0.00 C ATOM 629 CG LYS A 38 4.893 8.236 -25.347 1.00 0.00 C ATOM 630 CD LYS A 38 5.070 7.215 -26.473 1.00 0.00 C ATOM 631 CE LYS A 38 6.553 6.982 -26.773 1.00 0.00 C ATOM 632 NZ LYS A 38 6.710 6.040 -27.903 1.00 0.00 N ATOM 0 H LYS A 38 3.815 7.557 -21.700 1.00 0.00 H new ATOM 0 HA LYS A 38 3.991 9.726 -23.691 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.460 6.930 -23.685 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.086 7.231 -24.731 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.495 9.166 -25.753 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.863 8.470 -24.908 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.600 6.273 -26.192 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.564 7.568 -27.372 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.035 7.930 -27.012 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.051 6.585 -25.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.722 5.892 -28.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.267 5.131 -27.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.252 6.434 -28.749 1.00 0.00 H new ATOM 646 N PHE A 39 1.261 8.434 -22.506 1.00 0.00 N ATOM 647 CA PHE A 39 -0.182 8.592 -22.450 1.00 0.00 C ATOM 648 C PHE A 39 -0.587 9.522 -21.304 1.00 0.00 C ATOM 649 O PHE A 39 -1.749 9.549 -20.901 1.00 0.00 O ATOM 650 CB PHE A 39 -0.773 7.204 -22.196 1.00 0.00 C ATOM 651 CG PHE A 39 -2.276 7.109 -22.469 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.821 7.784 -23.516 1.00 0.00 C ATOM 653 CD2 PHE A 39 -3.067 6.349 -21.664 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.215 7.696 -23.769 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.462 6.262 -21.917 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.006 6.937 -22.965 1.00 0.00 C ATOM 0 H PHE A 39 1.647 7.788 -21.817 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.546 9.026 -23.381 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.254 6.479 -22.822 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.584 6.924 -21.160 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.193 8.387 -24.155 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.634 5.812 -20.833 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.647 8.232 -24.601 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.090 5.660 -21.277 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.066 6.870 -23.158 1.00 0.00 H new ATOM 666 N LEU A 40 0.395 10.265 -20.812 1.00 0.00 N ATOM 667 CA LEU A 40 0.155 11.194 -19.721 1.00 0.00 C ATOM 668 C LEU A 40 -0.725 12.342 -20.220 1.00 0.00 C ATOM 669 O LEU A 40 -1.745 12.659 -19.607 1.00 0.00 O ATOM 670 CB LEU A 40 1.479 11.657 -19.111 1.00 0.00 C ATOM 671 CG LEU A 40 1.889 10.975 -17.804 1.00 0.00 C ATOM 672 CD1 LEU A 40 3.120 11.649 -17.195 1.00 0.00 C ATOM 673 CD2 LEU A 40 0.719 10.925 -16.821 1.00 0.00 C ATOM 0 H LEU A 40 1.357 10.242 -21.149 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.387 10.702 -18.914 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.270 11.498 -19.844 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.419 12.731 -18.934 1.00 0.00 H new ATOM 0 HG LEU A 40 2.165 9.945 -18.030 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.389 11.144 -16.267 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.952 11.588 -17.896 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.896 12.695 -16.987 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.038 10.435 -15.901 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.389 11.939 -16.597 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.104 10.365 -17.264 1.00 0.00 H new ATOM 685 N GLU A 41 -0.300 12.935 -21.326 1.00 0.00 N ATOM 686 CA GLU A 41 -1.038 14.041 -21.914 1.00 0.00 C ATOM 687 C GLU A 41 -2.484 13.626 -22.190 1.00 0.00 C ATOM 688 O GLU A 41 -3.419 14.326 -21.803 1.00 0.00 O ATOM 689 CB GLU A 41 -0.355 14.538 -23.190 1.00 0.00 C ATOM 690 CG GLU A 41 -0.232 13.413 -24.219 1.00 0.00 C ATOM 691 CD GLU A 41 0.661 13.835 -25.388 1.00 0.00 C ATOM 692 OE1 GLU A 41 1.743 14.391 -25.103 1.00 0.00 O ATOM 693 OE2 GLU A 41 0.240 13.592 -26.540 1.00 0.00 O ATOM 0 H GLU A 41 0.546 12.671 -21.831 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.048 14.866 -21.202 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.926 15.363 -23.615 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.635 14.926 -22.950 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.181 12.524 -23.743 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.221 13.145 -24.590 1.00 0.00 H new ATOM 700 N GLU A 42 -2.624 12.491 -22.858 1.00 0.00 N ATOM 701 CA GLU A 42 -3.941 11.975 -23.191 1.00 0.00 C ATOM 702 C GLU A 42 -4.713 11.629 -21.918 1.00 0.00 C ATOM 703 O GLU A 42 -4.252 11.909 -20.812 1.00 0.00 O ATOM 704 CB GLU A 42 -3.835 10.760 -24.116 1.00 0.00 C ATOM 705 CG GLU A 42 -3.792 11.191 -25.584 1.00 0.00 C ATOM 706 CD GLU A 42 -5.197 11.206 -26.192 1.00 0.00 C ATOM 707 OE1 GLU A 42 -5.953 10.256 -25.896 1.00 0.00 O ATOM 708 OE2 GLU A 42 -5.481 12.167 -26.939 1.00 0.00 O ATOM 0 H GLU A 42 -1.847 11.913 -23.178 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.490 12.751 -23.725 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.937 10.191 -23.874 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.686 10.098 -23.952 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.347 12.183 -25.663 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.155 10.510 -26.148 1.00 0.00 H new ATOM 715 N HIS A 43 -5.875 11.025 -22.115 1.00 0.00 N ATOM 716 CA HIS A 43 -6.717 10.637 -20.994 1.00 0.00 C ATOM 717 C HIS A 43 -7.613 11.811 -20.596 1.00 0.00 C ATOM 718 O HIS A 43 -7.160 12.954 -20.552 1.00 0.00 O ATOM 719 CB HIS A 43 -5.869 10.117 -19.832 1.00 0.00 C ATOM 720 CG HIS A 43 -6.548 9.054 -19.002 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.429 9.352 -17.977 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.469 7.692 -19.059 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.854 8.214 -17.447 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.257 7.188 -18.118 1.00 0.00 N ATOM 0 H HIS A 43 -6.254 10.794 -23.033 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.367 9.813 -21.290 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.937 9.714 -20.228 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.605 10.954 -19.186 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.704 10.288 -17.680 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.868 7.122 -19.752 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.551 8.116 -16.628 1.00 0.00 H new ATOM 733 N PRO A 44 -8.899 11.480 -20.306 1.00 0.00 N ATOM 734 CA PRO A 44 -9.862 12.494 -19.912 1.00 0.00 C ATOM 735 C PRO A 44 -9.620 12.951 -18.473 1.00 0.00 C ATOM 736 O PRO A 44 -9.595 14.148 -18.193 1.00 0.00 O ATOM 737 CB PRO A 44 -11.222 11.842 -20.108 1.00 0.00 C ATOM 738 CG PRO A 44 -10.963 10.345 -20.158 1.00 0.00 C ATOM 739 CD PRO A 44 -9.469 10.137 -20.346 1.00 0.00 C ATOM 0 HA PRO A 44 -9.782 13.404 -20.507 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.898 12.094 -19.291 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.692 12.188 -21.029 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.302 9.868 -19.239 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.518 9.889 -20.978 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.055 9.508 -19.558 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.254 9.644 -21.294 1.00 0.00 H new ATOM 747 N GLY A 45 -9.448 11.972 -17.595 1.00 0.00 N ATOM 748 CA GLY A 45 -9.209 12.257 -16.191 1.00 0.00 C ATOM 749 C GLY A 45 -8.024 13.212 -16.021 1.00 0.00 C ATOM 750 O GLY A 45 -8.102 14.174 -15.259 1.00 0.00 O ATOM 0 H GLY A 45 -9.470 10.980 -17.830 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.102 12.697 -15.748 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.012 11.328 -15.656 1.00 0.00 H new ATOM 754 N GLY A 46 -6.955 12.910 -16.742 1.00 0.00 N ATOM 755 CA GLY A 46 -5.756 13.729 -16.679 1.00 0.00 C ATOM 756 C GLY A 46 -4.497 12.862 -16.748 1.00 0.00 C ATOM 757 O GLY A 46 -4.543 11.729 -17.225 1.00 0.00 O ATOM 0 H GLY A 46 -6.894 12.110 -17.372 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.756 14.444 -17.502 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.754 14.307 -15.755 1.00 0.00 H new ATOM 761 N GLU A 47 -3.400 13.429 -16.265 1.00 0.00 N ATOM 762 CA GLU A 47 -2.132 12.721 -16.265 1.00 0.00 C ATOM 763 C GLU A 47 -2.026 11.818 -15.035 1.00 0.00 C ATOM 764 O GLU A 47 -1.625 10.660 -15.144 1.00 0.00 O ATOM 765 CB GLU A 47 -0.958 13.702 -16.326 1.00 0.00 C ATOM 766 CG GLU A 47 -0.841 14.330 -17.716 1.00 0.00 C ATOM 767 CD GLU A 47 -0.322 15.768 -17.627 1.00 0.00 C ATOM 768 OE1 GLU A 47 -0.751 16.468 -16.685 1.00 0.00 O ATOM 769 OE2 GLU A 47 0.493 16.132 -18.503 1.00 0.00 O ATOM 0 H GLU A 47 -3.364 14.369 -15.872 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.089 12.094 -17.156 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.094 14.485 -15.580 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.032 13.183 -16.078 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.168 13.734 -18.333 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.814 14.321 -18.206 1.00 0.00 H new ATOM 776 N GLU A 48 -2.394 12.381 -13.893 1.00 0.00 N ATOM 777 CA GLU A 48 -2.347 11.640 -12.644 1.00 0.00 C ATOM 778 C GLU A 48 -3.051 10.291 -12.801 1.00 0.00 C ATOM 779 O GLU A 48 -2.521 9.258 -12.394 1.00 0.00 O ATOM 780 CB GLU A 48 -2.960 12.451 -11.503 1.00 0.00 C ATOM 781 CG GLU A 48 -1.965 12.620 -10.352 1.00 0.00 C ATOM 782 CD GLU A 48 -2.491 13.612 -9.313 1.00 0.00 C ATOM 783 OE1 GLU A 48 -2.722 14.776 -9.706 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.650 13.184 -8.150 1.00 0.00 O ATOM 0 H GLU A 48 -2.726 13.342 -13.807 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.303 11.454 -12.392 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.265 13.431 -11.871 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.859 11.953 -11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.783 11.655 -9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.009 12.969 -10.742 1.00 0.00 H new ATOM 791 N VAL A 49 -4.237 10.343 -13.389 1.00 0.00 N ATOM 792 CA VAL A 49 -5.021 9.139 -13.604 1.00 0.00 C ATOM 793 C VAL A 49 -4.095 8.008 -14.052 1.00 0.00 C ATOM 794 O VAL A 49 -4.390 6.834 -13.828 1.00 0.00 O ATOM 795 CB VAL A 49 -6.149 9.419 -14.598 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.592 9.670 -16.001 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.168 8.277 -14.608 1.00 0.00 C ATOM 0 H VAL A 49 -4.675 11.201 -13.724 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.497 8.821 -12.676 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.664 10.324 -14.275 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.414 9.867 -16.689 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.924 10.531 -15.979 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.041 8.791 -16.336 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.959 8.502 -15.323 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.672 7.350 -14.895 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.599 8.165 -13.613 1.00 0.00 H new ATOM 807 N LEU A 50 -2.995 8.398 -14.679 1.00 0.00 N ATOM 808 CA LEU A 50 -2.024 7.430 -15.161 1.00 0.00 C ATOM 809 C LEU A 50 -0.794 7.454 -14.252 1.00 0.00 C ATOM 810 O LEU A 50 -0.253 6.403 -13.908 1.00 0.00 O ATOM 811 CB LEU A 50 -1.705 7.682 -16.636 1.00 0.00 C ATOM 812 CG LEU A 50 -2.909 7.810 -17.571 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.959 9.200 -18.212 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.911 6.695 -18.619 1.00 0.00 C ATOM 0 H LEU A 50 -2.754 9.372 -14.865 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.435 6.421 -15.116 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.115 8.596 -16.709 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.076 6.867 -16.995 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.816 7.695 -16.978 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.824 9.265 -18.872 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.039 9.958 -17.432 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.049 9.368 -18.788 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.777 6.810 -19.271 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.999 6.753 -19.214 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.958 5.727 -18.120 1.00 0.00 H new ATOM 826 N ARG A 51 -0.386 8.661 -13.892 1.00 0.00 N ATOM 827 CA ARG A 51 0.771 8.834 -13.030 1.00 0.00 C ATOM 828 C ARG A 51 0.497 8.237 -11.647 1.00 0.00 C ATOM 829 O ARG A 51 1.328 7.508 -11.107 1.00 0.00 O ATOM 830 CB ARG A 51 1.127 10.314 -12.877 1.00 0.00 C ATOM 831 CG ARG A 51 2.635 10.498 -12.687 1.00 0.00 C ATOM 832 CD ARG A 51 2.944 11.104 -11.316 1.00 0.00 C ATOM 833 NE ARG A 51 4.008 12.124 -11.444 1.00 0.00 N ATOM 834 CZ ARG A 51 4.528 12.801 -10.410 1.00 0.00 C ATOM 835 NH1 ARG A 51 4.084 12.570 -9.167 1.00 0.00 N ATOM 836 NH2 ARG A 51 5.491 13.708 -10.619 1.00 0.00 N ATOM 0 H ARG A 51 -0.836 9.530 -14.181 1.00 0.00 H new ATOM 0 HA ARG A 51 1.610 8.316 -13.494 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.798 10.864 -13.759 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.595 10.733 -12.023 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.138 9.536 -12.785 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.028 11.145 -13.472 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.044 11.555 -10.897 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.259 10.322 -10.626 1.00 0.00 H new ATOM 0 HE ARG A 51 4.368 12.325 -12.377 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.351 11.879 -9.008 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.479 13.085 -8.380 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.829 13.884 -11.565 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.886 14.223 -9.832 1.00 0.00 H new ATOM 850 N GLU A 52 -0.670 8.568 -11.115 1.00 0.00 N ATOM 851 CA GLU A 52 -1.063 8.074 -9.808 1.00 0.00 C ATOM 852 C GLU A 52 -1.050 6.544 -9.792 1.00 0.00 C ATOM 853 O GLU A 52 -0.952 5.931 -8.730 1.00 0.00 O ATOM 854 CB GLU A 52 -2.438 8.616 -9.407 1.00 0.00 C ATOM 855 CG GLU A 52 -2.324 9.577 -8.224 1.00 0.00 C ATOM 856 CD GLU A 52 -2.526 8.843 -6.897 1.00 0.00 C ATOM 857 OE1 GLU A 52 -1.951 7.740 -6.766 1.00 0.00 O ATOM 858 OE2 GLU A 52 -3.249 9.400 -6.043 1.00 0.00 O ATOM 0 H GLU A 52 -1.356 9.173 -11.566 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.340 8.431 -9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.892 9.129 -10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.097 7.788 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.345 10.055 -8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.067 10.369 -8.322 1.00 0.00 H new ATOM 865 N GLN A 53 -1.150 5.971 -10.982 1.00 0.00 N ATOM 866 CA GLN A 53 -1.151 4.525 -11.120 1.00 0.00 C ATOM 867 C GLN A 53 0.244 4.027 -11.506 1.00 0.00 C ATOM 868 O GLN A 53 0.605 2.889 -11.209 1.00 0.00 O ATOM 869 CB GLN A 53 -2.197 4.071 -12.140 1.00 0.00 C ATOM 870 CG GLN A 53 -1.867 4.603 -13.536 1.00 0.00 C ATOM 871 CD GLN A 53 -2.790 3.986 -14.589 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.527 2.932 -15.143 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.886 4.702 -14.834 1.00 0.00 N ATOM 0 H GLN A 53 -1.231 6.483 -11.861 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.418 4.089 -10.157 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.240 2.982 -12.162 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.183 4.423 -11.836 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.968 5.688 -13.549 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.829 4.377 -13.779 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.046 5.577 -14.335 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.566 4.375 -15.521 1.00 0.00 H new ATOM 882 N ALA A 54 0.989 4.904 -12.163 1.00 0.00 N ATOM 883 CA ALA A 54 2.336 4.567 -12.592 1.00 0.00 C ATOM 884 C ALA A 54 3.171 4.171 -11.373 1.00 0.00 C ATOM 885 O ALA A 54 3.233 4.911 -10.391 1.00 0.00 O ATOM 886 CB ALA A 54 2.939 5.749 -13.353 1.00 0.00 C ATOM 0 H ALA A 54 0.686 5.846 -12.409 1.00 0.00 H new ATOM 0 HA ALA A 54 2.321 3.715 -13.271 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.949 5.497 -13.675 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.325 5.971 -14.226 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.973 6.622 -12.701 1.00 0.00 H new ATOM 892 N GLY A 55 3.794 3.005 -11.476 1.00 0.00 N ATOM 893 CA GLY A 55 4.623 2.502 -10.394 1.00 0.00 C ATOM 894 C GLY A 55 4.227 1.073 -10.019 1.00 0.00 C ATOM 895 O GLY A 55 4.588 0.585 -8.949 1.00 0.00 O ATOM 0 H GLY A 55 3.741 2.395 -12.292 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.671 2.526 -10.693 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.524 3.151 -9.524 1.00 0.00 H new ATOM 899 N GLY A 56 3.489 0.442 -10.920 1.00 0.00 N ATOM 900 CA GLY A 56 3.040 -0.923 -10.697 1.00 0.00 C ATOM 901 C GLY A 56 1.846 -1.259 -11.593 1.00 0.00 C ATOM 902 O GLY A 56 1.487 -0.480 -12.475 1.00 0.00 O ATOM 0 H GLY A 56 3.190 0.850 -11.806 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.857 -1.616 -10.898 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.762 -1.052 -9.651 1.00 0.00 H new ATOM 906 N ASP A 57 1.264 -2.422 -11.336 1.00 0.00 N ATOM 907 CA ASP A 57 0.118 -2.872 -12.108 1.00 0.00 C ATOM 908 C ASP A 57 -1.075 -1.960 -11.822 1.00 0.00 C ATOM 909 O ASP A 57 -1.567 -1.912 -10.695 1.00 0.00 O ATOM 910 CB ASP A 57 -0.275 -4.301 -11.727 1.00 0.00 C ATOM 911 CG ASP A 57 -1.703 -4.700 -12.103 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.631 -4.178 -11.445 1.00 0.00 O ATOM 913 OD2 ASP A 57 -1.837 -5.517 -13.038 1.00 0.00 O ATOM 0 H ASP A 57 1.565 -3.066 -10.604 1.00 0.00 H new ATOM 0 HA ASP A 57 0.389 -2.842 -13.163 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.418 -4.993 -12.207 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.152 -4.421 -10.651 1.00 0.00 H new ATOM 918 N ALA A 58 -1.506 -1.258 -12.860 1.00 0.00 N ATOM 919 CA ALA A 58 -2.633 -0.350 -12.732 1.00 0.00 C ATOM 920 C ALA A 58 -3.917 -1.077 -13.136 1.00 0.00 C ATOM 921 O ALA A 58 -5.016 -0.629 -12.817 1.00 0.00 O ATOM 922 CB ALA A 58 -2.380 0.900 -13.578 1.00 0.00 C ATOM 0 H ALA A 58 -1.095 -1.300 -13.793 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.749 -0.026 -11.698 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.225 1.581 -13.482 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.473 1.396 -13.232 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.261 0.614 -14.623 1.00 0.00 H new ATOM 928 N THR A 59 -3.735 -2.189 -13.835 1.00 0.00 N ATOM 929 CA THR A 59 -4.865 -2.983 -14.286 1.00 0.00 C ATOM 930 C THR A 59 -5.830 -3.242 -13.129 1.00 0.00 C ATOM 931 O THR A 59 -7.046 -3.248 -13.319 1.00 0.00 O ATOM 932 CB THR A 59 -4.319 -4.263 -14.922 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.332 -4.650 -15.847 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.256 -5.426 -13.932 1.00 0.00 C ATOM 0 H THR A 59 -2.822 -2.558 -14.100 1.00 0.00 H new ATOM 0 HA THR A 59 -5.447 -2.452 -15.039 1.00 0.00 H new ATOM 0 HB THR A 59 -3.324 -4.073 -15.324 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.012 -3.946 -15.901 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.862 -6.310 -14.434 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.604 -5.160 -13.100 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.257 -5.638 -13.556 1.00 0.00 H new ATOM 942 N GLU A 60 -5.253 -3.451 -11.954 1.00 0.00 N ATOM 943 CA GLU A 60 -6.048 -3.711 -10.767 1.00 0.00 C ATOM 944 C GLU A 60 -7.064 -2.587 -10.551 1.00 0.00 C ATOM 945 O GLU A 60 -8.166 -2.827 -10.059 1.00 0.00 O ATOM 946 CB GLU A 60 -5.155 -3.885 -9.537 1.00 0.00 C ATOM 947 CG GLU A 60 -4.875 -5.366 -9.268 1.00 0.00 C ATOM 948 CD GLU A 60 -3.372 -5.651 -9.279 1.00 0.00 C ATOM 949 OE1 GLU A 60 -2.619 -4.735 -8.885 1.00 0.00 O ATOM 950 OE2 GLU A 60 -3.011 -6.777 -9.682 1.00 0.00 O ATOM 0 H GLU A 60 -4.245 -3.445 -11.800 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.593 -4.643 -10.916 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.215 -3.355 -9.688 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.637 -3.438 -8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.295 -5.650 -8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.370 -5.976 -10.023 1.00 0.00 H new ATOM 957 N ASN A 61 -6.657 -1.385 -10.929 1.00 0.00 N ATOM 958 CA ASN A 61 -7.518 -0.222 -10.782 1.00 0.00 C ATOM 959 C ASN A 61 -8.255 0.029 -12.099 1.00 0.00 C ATOM 960 O ASN A 61 -9.470 0.217 -12.109 1.00 0.00 O ATOM 961 CB ASN A 61 -6.703 1.029 -10.450 1.00 0.00 C ATOM 962 CG ASN A 61 -7.258 1.731 -9.209 1.00 0.00 C ATOM 963 OD1 ASN A 61 -6.685 1.691 -8.133 1.00 0.00 O ATOM 964 ND2 ASN A 61 -8.403 2.375 -9.419 1.00 0.00 N ATOM 0 H ASN A 61 -5.743 -1.190 -11.337 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.218 -0.421 -9.971 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.661 0.755 -10.282 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.720 1.714 -11.298 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.854 2.876 -8.653 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.829 2.368 -10.346 1.00 0.00 H new ATOM 971 N PHE A 62 -7.488 0.026 -13.180 1.00 0.00 N ATOM 972 CA PHE A 62 -8.053 0.251 -14.499 1.00 0.00 C ATOM 973 C PHE A 62 -9.190 -0.732 -14.785 1.00 0.00 C ATOM 974 O PHE A 62 -9.998 -0.508 -15.683 1.00 0.00 O ATOM 975 CB PHE A 62 -6.929 0.022 -15.512 1.00 0.00 C ATOM 976 CG PHE A 62 -7.314 -0.899 -16.672 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.529 -2.222 -16.445 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.441 -0.393 -17.928 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.888 -3.077 -17.522 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.800 -1.249 -19.004 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.015 -2.572 -18.778 1.00 0.00 C ATOM 0 H PHE A 62 -6.480 -0.129 -13.169 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.459 1.261 -14.562 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.615 0.985 -15.915 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.069 -0.403 -14.995 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.427 -2.623 -15.447 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.269 0.658 -18.107 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.060 -4.128 -17.343 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.902 -0.848 -20.002 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.287 -3.222 -19.596 1.00 0.00 H new ATOM 991 N GLU A 63 -9.213 -1.803 -14.003 1.00 0.00 N ATOM 992 CA GLU A 63 -10.236 -2.821 -14.161 1.00 0.00 C ATOM 993 C GLU A 63 -11.547 -2.361 -13.520 1.00 0.00 C ATOM 994 O GLU A 63 -12.627 -2.628 -14.045 1.00 0.00 O ATOM 995 CB GLU A 63 -9.776 -4.157 -13.572 1.00 0.00 C ATOM 996 CG GLU A 63 -9.112 -5.027 -14.640 1.00 0.00 C ATOM 997 CD GLU A 63 -10.005 -6.210 -15.018 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.674 -6.731 -14.100 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.000 -6.565 -16.217 1.00 0.00 O ATOM 0 H GLU A 63 -8.540 -1.986 -13.259 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.409 -2.972 -15.227 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.075 -3.977 -12.757 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.630 -4.685 -13.147 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.904 -4.426 -15.526 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.154 -5.393 -14.271 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.409 -1.678 -12.393 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.568 -1.180 -11.674 1.00 0.00 C ATOM 1008 C ASP A 64 -13.236 -0.075 -12.496 1.00 0.00 C ATOM 1009 O ASP A 64 -14.462 -0.012 -12.577 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.166 -0.584 -10.323 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.022 -1.031 -9.137 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.071 -2.259 -8.903 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -13.609 -0.138 -8.492 1.00 0.00 O ATOM 0 H ASP A 64 -10.512 -1.458 -11.961 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.248 -2.016 -11.511 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.128 -0.847 -10.122 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.211 0.503 -10.395 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.400 0.768 -13.084 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.895 1.867 -13.898 1.00 0.00 C ATOM 1020 C VAL A 65 -13.449 1.314 -15.212 1.00 0.00 C ATOM 1021 O VAL A 65 -13.983 2.062 -16.029 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.789 2.904 -14.104 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.406 2.257 -14.003 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.959 3.629 -15.440 1.00 0.00 C ATOM 0 H VAL A 65 -11.384 0.713 -13.014 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.713 2.380 -13.392 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.872 3.645 -13.309 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.638 3.015 -14.153 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.285 1.808 -13.017 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.309 1.486 -14.767 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.160 4.360 -15.561 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.916 2.906 -16.254 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.923 4.138 -15.458 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.299 0.008 -15.377 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.777 -0.655 -16.579 1.00 0.00 C ATOM 1036 C GLY A 66 -13.582 0.233 -17.809 1.00 0.00 C ATOM 1037 O GLY A 66 -14.442 1.052 -18.130 1.00 0.00 O ATOM 0 H GLY A 66 -12.853 -0.609 -14.698 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.243 -1.595 -16.717 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.833 -0.901 -16.467 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.446 0.042 -18.464 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.127 0.816 -19.652 1.00 0.00 C ATOM 1043 C HIS A 67 -12.829 0.205 -20.866 1.00 0.00 C ATOM 1044 O HIS A 67 -13.564 -0.772 -20.736 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.612 0.927 -19.836 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.943 1.869 -18.863 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.482 1.463 -17.623 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.660 3.200 -18.963 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.949 2.511 -17.012 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -9.061 3.586 -17.843 1.00 0.00 N ATOM 0 H HIS A 67 -11.735 -0.638 -18.194 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.497 1.835 -19.538 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.170 -0.064 -19.729 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.403 1.262 -20.852 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.542 0.518 -17.244 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.885 3.832 -19.809 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.504 2.513 -16.028 1.00 0.00 H new ATOM 1059 N SER A 68 -12.577 0.807 -22.019 1.00 0.00 N ATOM 1060 CA SER A 68 -13.176 0.335 -23.256 1.00 0.00 C ATOM 1061 C SER A 68 -12.148 -0.457 -24.066 1.00 0.00 C ATOM 1062 O SER A 68 -10.950 -0.185 -23.991 1.00 0.00 O ATOM 1063 CB SER A 68 -13.721 1.499 -24.083 1.00 0.00 C ATOM 1064 OG SER A 68 -12.713 2.096 -24.894 1.00 0.00 O ATOM 0 H SER A 68 -11.966 1.617 -22.123 1.00 0.00 H new ATOM 0 HA SER A 68 -14.012 -0.318 -23.004 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.533 1.144 -24.717 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.143 2.251 -23.416 1.00 0.00 H new ATOM 0 HG SER A 68 -12.381 2.909 -24.458 1.00 0.00 H new ATOM 1070 N THR A 69 -12.652 -1.421 -24.822 1.00 0.00 N ATOM 1071 CA THR A 69 -11.792 -2.254 -25.645 1.00 0.00 C ATOM 1072 C THR A 69 -10.836 -1.386 -26.466 1.00 0.00 C ATOM 1073 O THR A 69 -9.781 -1.852 -26.896 1.00 0.00 O ATOM 1074 CB THR A 69 -12.685 -3.152 -26.502 1.00 0.00 C ATOM 1075 OG1 THR A 69 -13.003 -4.246 -25.647 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.924 -3.796 -27.665 1.00 0.00 C ATOM 0 H THR A 69 -13.646 -1.644 -24.882 1.00 0.00 H new ATOM 0 HA THR A 69 -11.156 -2.893 -25.033 1.00 0.00 H new ATOM 0 HB THR A 69 -13.518 -2.568 -26.892 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.582 -4.877 -26.124 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.604 -4.423 -28.242 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.515 -3.017 -28.308 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.111 -4.407 -27.274 1.00 0.00 H new ATOM 1084 N ASP A 70 -11.239 -0.138 -26.659 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.431 0.800 -27.421 1.00 0.00 C ATOM 1086 C ASP A 70 -9.252 1.264 -26.564 1.00 0.00 C ATOM 1087 O ASP A 70 -8.101 1.182 -26.988 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.244 2.035 -27.814 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.538 2.995 -28.774 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.756 3.828 -28.266 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.798 2.876 -29.990 1.00 0.00 O ATOM 0 H ASP A 70 -12.114 0.245 -26.301 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.086 0.293 -28.322 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.177 1.707 -28.273 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.509 2.580 -26.908 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.580 1.742 -25.373 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.562 2.219 -24.452 1.00 0.00 C ATOM 1098 C ALA A 71 -7.488 1.143 -24.283 1.00 0.00 C ATOM 1099 O ALA A 71 -6.295 1.444 -24.303 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.216 2.602 -23.122 1.00 0.00 C ATOM 0 H ALA A 71 -10.536 1.809 -25.024 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.076 3.111 -24.847 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.453 2.960 -22.431 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.950 3.390 -23.291 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.711 1.730 -22.696 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.948 -0.089 -24.123 1.00 0.00 N ATOM 1107 CA ARG A 72 -7.041 -1.211 -23.951 1.00 0.00 C ATOM 1108 C ARG A 72 -6.208 -1.417 -25.218 1.00 0.00 C ATOM 1109 O ARG A 72 -5.000 -1.639 -25.141 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.808 -2.497 -23.638 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.857 -2.259 -22.551 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.646 -3.537 -22.261 1.00 0.00 C ATOM 1113 NE ARG A 72 -11.097 -3.281 -22.407 1.00 0.00 N ATOM 1114 CZ ARG A 72 -12.054 -4.092 -21.940 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -11.720 -5.219 -21.293 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -13.345 -3.781 -22.119 1.00 0.00 N ATOM 0 H ARG A 72 -8.938 -0.335 -24.109 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.384 -0.981 -23.112 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.293 -2.864 -24.542 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.112 -3.270 -23.313 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.369 -1.914 -21.639 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.540 -1.470 -22.866 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.337 -4.328 -22.945 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.430 -3.886 -21.251 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.386 -2.433 -22.894 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.738 -5.457 -21.157 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.449 -5.838 -20.937 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.600 -2.925 -22.612 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.073 -4.400 -21.762 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.886 -1.338 -26.353 1.00 0.00 N ATOM 1131 CA GLU A 73 -6.223 -1.513 -27.634 1.00 0.00 C ATOM 1132 C GLU A 73 -5.186 -0.409 -27.852 1.00 0.00 C ATOM 1133 O GLU A 73 -4.093 -0.669 -28.354 1.00 0.00 O ATOM 1134 CB GLU A 73 -7.239 -1.543 -28.778 1.00 0.00 C ATOM 1135 CG GLU A 73 -7.165 -2.867 -29.543 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.551 -3.305 -30.017 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -9.124 -2.572 -30.853 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -9.009 -4.362 -29.532 1.00 0.00 O ATOM 0 H GLU A 73 -7.888 -1.155 -26.412 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.706 -2.473 -27.624 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.244 -1.405 -28.380 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.049 -0.714 -29.460 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.501 -2.759 -30.401 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.736 -3.637 -28.903 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.565 0.799 -27.461 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.681 1.943 -27.607 1.00 0.00 C ATOM 1147 C LEU A 74 -3.406 1.703 -26.799 1.00 0.00 C ATOM 1148 O LEU A 74 -2.308 2.026 -27.253 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.412 3.235 -27.235 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.970 3.902 -25.929 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.863 4.926 -26.185 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.164 4.520 -25.198 1.00 0.00 C ATOM 0 H LEU A 74 -6.471 1.010 -27.044 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.380 2.062 -28.648 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.282 3.950 -28.047 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.478 3.020 -27.168 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.555 3.134 -25.276 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.567 5.385 -25.242 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.003 4.428 -26.632 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.229 5.696 -26.864 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.823 4.987 -24.274 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.630 5.272 -25.834 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.890 3.741 -24.964 1.00 0.00 H new ATOM 1164 N SER A 75 -3.591 1.136 -25.615 1.00 0.00 N ATOM 1165 CA SER A 75 -2.466 0.849 -24.740 1.00 0.00 C ATOM 1166 C SER A 75 -1.443 -0.023 -25.471 1.00 0.00 C ATOM 1167 O SER A 75 -0.246 0.059 -25.199 1.00 0.00 O ATOM 1168 CB SER A 75 -2.931 0.159 -23.456 1.00 0.00 C ATOM 1169 OG SER A 75 -3.259 -1.211 -23.675 1.00 0.00 O ATOM 0 H SER A 75 -4.502 0.868 -25.242 1.00 0.00 H new ATOM 0 HA SER A 75 -1.997 1.793 -24.464 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.146 0.228 -22.703 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.801 0.681 -23.058 1.00 0.00 H new ATOM 0 HG SER A 75 -3.962 -1.274 -24.355 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.951 -0.837 -26.383 1.00 0.00 N ATOM 1176 CA LYS A 76 -1.096 -1.723 -27.155 1.00 0.00 C ATOM 1177 C LYS A 76 -0.043 -0.895 -27.892 1.00 0.00 C ATOM 1178 O LYS A 76 0.957 -1.433 -28.365 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.937 -2.609 -28.077 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.456 -4.061 -28.029 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.625 -5.017 -27.784 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.316 -6.413 -28.332 1.00 0.00 C ATOM 1183 NZ LYS A 76 -3.262 -6.766 -29.414 1.00 0.00 N ATOM 0 H LYS A 76 -2.944 -0.902 -26.605 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.560 -2.406 -26.495 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.984 -2.559 -27.780 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.878 -2.236 -29.099 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.963 -4.316 -28.967 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.715 -4.177 -27.238 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.831 -5.079 -26.715 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.525 -4.627 -28.260 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.294 -6.444 -28.710 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.381 -7.148 -27.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.038 -7.716 -29.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.233 -6.756 -29.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.180 -6.074 -30.186 1.00 0.00 H new ATOM 1197 N THR A 77 -0.302 0.403 -27.966 1.00 0.00 N ATOM 1198 CA THR A 77 0.612 1.313 -28.637 1.00 0.00 C ATOM 1199 C THR A 77 1.651 1.849 -27.650 1.00 0.00 C ATOM 1200 O THR A 77 2.752 2.226 -28.048 1.00 0.00 O ATOM 1201 CB THR A 77 -0.218 2.411 -29.302 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.649 2.947 -30.298 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.486 3.592 -28.366 1.00 0.00 C ATOM 0 H THR A 77 -1.132 0.846 -27.572 1.00 0.00 H new ATOM 0 HA THR A 77 1.181 0.801 -29.413 1.00 0.00 H new ATOM 0 HB THR A 77 -1.167 1.994 -29.640 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.189 3.666 -30.780 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.079 4.343 -28.888 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.032 3.244 -27.489 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.462 4.031 -28.054 1.00 0.00 H new ATOM 1211 N PHE A 78 1.263 1.865 -26.383 1.00 0.00 N ATOM 1212 CA PHE A 78 2.147 2.349 -25.337 1.00 0.00 C ATOM 1213 C PHE A 78 2.966 1.204 -24.737 1.00 0.00 C ATOM 1214 O PHE A 78 3.903 1.438 -23.976 1.00 0.00 O ATOM 1215 CB PHE A 78 1.261 2.953 -24.245 1.00 0.00 C ATOM 1216 CG PHE A 78 0.639 4.300 -24.623 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.421 5.289 -25.135 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.692 4.508 -24.446 1.00 0.00 C ATOM 1219 CE1 PHE A 78 0.846 6.539 -25.485 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -1.267 5.759 -24.796 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.486 6.748 -25.307 1.00 0.00 C ATOM 0 H PHE A 78 0.349 1.551 -26.058 1.00 0.00 H new ATOM 0 HA PHE A 78 2.842 3.081 -25.748 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.463 2.249 -24.008 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.854 3.079 -23.339 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.479 5.123 -25.275 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.312 3.723 -24.040 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.466 7.324 -25.892 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.325 5.925 -24.656 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.923 7.699 -25.571 1.00 0.00 H new ATOM 1231 N ILE A 79 2.580 -0.011 -25.102 1.00 0.00 N ATOM 1232 CA ILE A 79 3.266 -1.192 -24.610 1.00 0.00 C ATOM 1233 C ILE A 79 4.757 -1.085 -24.934 1.00 0.00 C ATOM 1234 O ILE A 79 5.143 -1.109 -26.102 1.00 0.00 O ATOM 1235 CB ILE A 79 2.607 -2.461 -25.155 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.504 -2.955 -24.216 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.651 -3.545 -25.434 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.324 -4.470 -24.329 1.00 0.00 C ATOM 0 H ILE A 79 1.801 -0.201 -25.732 1.00 0.00 H new ATOM 0 HA ILE A 79 3.180 -1.257 -23.525 1.00 0.00 H new ATOM 0 HB ILE A 79 2.133 -2.217 -26.106 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.752 -2.691 -23.188 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.566 -2.455 -24.457 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.156 -4.436 -25.820 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.367 -3.180 -26.170 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.174 -3.792 -24.510 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.534 -4.794 -23.651 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.053 -4.729 -25.352 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.257 -4.968 -24.064 1.00 0.00 H new ATOM 1250 N ILE A 80 5.553 -0.969 -23.882 1.00 0.00 N ATOM 1251 CA ILE A 80 6.993 -0.858 -24.041 1.00 0.00 C ATOM 1252 C ILE A 80 7.653 -2.163 -23.595 1.00 0.00 C ATOM 1253 O ILE A 80 8.784 -2.455 -23.983 1.00 0.00 O ATOM 1254 CB ILE A 80 7.519 0.379 -23.310 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.684 0.676 -22.064 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.591 1.584 -24.252 1.00 0.00 C ATOM 1257 CD1 ILE A 80 6.955 -0.354 -20.965 1.00 0.00 C ATOM 0 H ILE A 80 5.228 -0.949 -22.915 1.00 0.00 H new ATOM 0 HA ILE A 80 7.250 -0.713 -25.090 1.00 0.00 H new ATOM 0 HB ILE A 80 8.535 0.171 -22.975 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.916 1.675 -21.696 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.625 0.669 -22.321 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.968 2.450 -23.707 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.261 1.358 -25.082 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.596 1.804 -24.638 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.349 -0.120 -20.090 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.699 -1.349 -21.328 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.010 -0.327 -20.693 1.00 0.00 H new ATOM 1269 N GLY A 81 6.920 -2.913 -22.785 1.00 0.00 N ATOM 1270 CA GLY A 81 7.421 -4.182 -22.282 1.00 0.00 C ATOM 1271 C GLY A 81 6.307 -4.979 -21.601 1.00 0.00 C ATOM 1272 O GLY A 81 5.129 -4.776 -21.889 1.00 0.00 O ATOM 0 H GLY A 81 5.984 -2.667 -22.464 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.839 -4.764 -23.104 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.230 -4.003 -21.574 1.00 0.00 H new ATOM 1276 N GLU A 82 6.720 -5.870 -20.713 1.00 0.00 N ATOM 1277 CA GLU A 82 5.771 -6.701 -19.990 1.00 0.00 C ATOM 1278 C GLU A 82 6.350 -7.108 -18.633 1.00 0.00 C ATOM 1279 O GLU A 82 7.564 -7.082 -18.438 1.00 0.00 O ATOM 1280 CB GLU A 82 5.382 -7.931 -20.811 1.00 0.00 C ATOM 1281 CG GLU A 82 5.491 -7.647 -22.310 1.00 0.00 C ATOM 1282 CD GLU A 82 5.155 -8.894 -23.130 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.990 -9.824 -23.119 1.00 0.00 O ATOM 1284 OE2 GLU A 82 4.070 -8.889 -23.751 1.00 0.00 O ATOM 0 H GLU A 82 7.698 -6.035 -20.477 1.00 0.00 H new ATOM 0 HA GLU A 82 4.865 -6.119 -19.818 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.029 -8.768 -20.548 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.362 -8.228 -20.567 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.814 -6.836 -22.580 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.501 -7.312 -22.548 1.00 0.00 H new ATOM 1291 N LEU A 83 5.453 -7.473 -17.729 1.00 0.00 N ATOM 1292 CA LEU A 83 5.858 -7.884 -16.396 1.00 0.00 C ATOM 1293 C LEU A 83 6.661 -9.183 -16.490 1.00 0.00 C ATOM 1294 O LEU A 83 6.182 -10.175 -17.038 1.00 0.00 O ATOM 1295 CB LEU A 83 4.643 -7.979 -15.471 1.00 0.00 C ATOM 1296 CG LEU A 83 4.944 -8.151 -13.980 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.453 -8.204 -13.730 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.263 -7.059 -13.154 1.00 0.00 C ATOM 0 H LEU A 83 4.447 -7.493 -17.894 1.00 0.00 H new ATOM 0 HA LEU A 83 6.512 -7.135 -15.949 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.044 -7.078 -15.598 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.029 -8.819 -15.796 1.00 0.00 H new ATOM 0 HG LEU A 83 4.530 -9.105 -13.654 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.641 -8.327 -12.663 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.882 -9.046 -14.273 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.912 -7.277 -14.075 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.493 -7.204 -12.099 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.626 -6.082 -13.473 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.184 -7.111 -13.301 1.00 0.00 H new ATOM 1310 N HIS A 84 7.869 -9.135 -15.947 1.00 0.00 N ATOM 1311 CA HIS A 84 8.744 -10.295 -15.963 1.00 0.00 C ATOM 1312 C HIS A 84 8.203 -11.358 -15.004 1.00 0.00 C ATOM 1313 O HIS A 84 7.147 -11.177 -14.402 1.00 0.00 O ATOM 1314 CB HIS A 84 10.187 -9.893 -15.652 1.00 0.00 C ATOM 1315 CG HIS A 84 11.188 -10.351 -16.685 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.827 -10.705 -17.973 1.00 0.00 N ATOM 1317 CD2 HIS A 84 12.541 -10.508 -16.606 1.00 0.00 C ATOM 1318 CE1 HIS A 84 11.923 -11.059 -18.631 1.00 0.00 C ATOM 1319 NE2 HIS A 84 12.983 -10.936 -17.783 1.00 0.00 N ATOM 0 H HIS A 84 8.262 -8.311 -15.493 1.00 0.00 H new ATOM 0 HA HIS A 84 8.759 -10.730 -16.962 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.240 -8.808 -15.565 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.467 -10.304 -14.682 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.149 -10.317 -15.734 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.968 -11.387 -19.659 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.955 -11.139 -18.014 1.00 0.00 H new ATOM 1328 N PRO A 85 8.975 -12.473 -14.889 1.00 0.00 N ATOM 1329 CA PRO A 85 8.585 -13.565 -14.012 1.00 0.00 C ATOM 1330 C PRO A 85 8.826 -13.205 -12.546 1.00 0.00 C ATOM 1331 O PRO A 85 8.735 -14.062 -11.669 1.00 0.00 O ATOM 1332 CB PRO A 85 9.409 -14.754 -14.476 1.00 0.00 C ATOM 1333 CG PRO A 85 10.561 -14.175 -15.282 1.00 0.00 C ATOM 1334 CD PRO A 85 10.231 -12.723 -15.587 1.00 0.00 C ATOM 0 HA PRO A 85 7.520 -13.789 -14.067 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.777 -15.329 -13.626 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.809 -15.431 -15.084 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.493 -14.245 -14.721 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.702 -14.737 -16.205 1.00 0.00 H new ATOM 0 HD2 PRO A 85 11.018 -12.056 -15.236 1.00 0.00 H new ATOM 0 HD3 PRO A 85 10.128 -12.557 -16.659 1.00 0.00 H new ATOM 1342 N ASP A 86 9.132 -11.934 -12.326 1.00 0.00 N ATOM 1343 CA ASP A 86 9.389 -11.448 -10.979 1.00 0.00 C ATOM 1344 C ASP A 86 8.060 -11.302 -10.234 1.00 0.00 C ATOM 1345 O ASP A 86 8.018 -11.400 -9.008 1.00 0.00 O ATOM 1346 CB ASP A 86 10.069 -10.079 -11.008 1.00 0.00 C ATOM 1347 CG ASP A 86 9.672 -9.136 -9.870 1.00 0.00 C ATOM 1348 OD1 ASP A 86 9.944 -9.503 -8.707 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.105 -8.069 -10.190 1.00 0.00 O ATOM 0 H ASP A 86 9.208 -11.226 -13.057 1.00 0.00 H new ATOM 0 HA ASP A 86 10.043 -12.163 -10.480 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.149 -10.226 -10.978 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.839 -9.596 -11.957 1.00 0.00 H new ATOM 1354 N ASP A 87 7.008 -11.067 -11.004 1.00 0.00 N ATOM 1355 CA ASP A 87 5.682 -10.906 -10.431 1.00 0.00 C ATOM 1356 C ASP A 87 4.645 -10.886 -11.556 1.00 0.00 C ATOM 1357 O ASP A 87 4.050 -9.848 -11.840 1.00 0.00 O ATOM 1358 CB ASP A 87 5.571 -9.587 -9.664 1.00 0.00 C ATOM 1359 CG ASP A 87 6.353 -9.535 -8.349 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.818 -10.067 -7.351 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.464 -8.967 -8.372 1.00 0.00 O ATOM 0 H ASP A 87 7.047 -10.984 -12.020 1.00 0.00 H new ATOM 0 HA ASP A 87 5.506 -11.737 -9.748 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.919 -8.779 -10.308 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.519 -9.395 -9.452 1.00 0.00 H new ATOM 1366 N ARG A 88 4.459 -12.049 -12.166 1.00 0.00 N ATOM 1367 CA ARG A 88 3.504 -12.178 -13.252 1.00 0.00 C ATOM 1368 C ARG A 88 2.089 -12.355 -12.698 1.00 0.00 C ATOM 1369 O ARG A 88 1.282 -11.428 -12.739 1.00 0.00 O ATOM 1370 CB ARG A 88 3.846 -13.372 -14.147 1.00 0.00 C ATOM 1371 CG ARG A 88 5.301 -13.309 -14.612 1.00 0.00 C ATOM 1372 CD ARG A 88 5.424 -12.543 -15.931 1.00 0.00 C ATOM 1373 NE ARG A 88 4.788 -13.313 -17.023 1.00 0.00 N ATOM 1374 CZ ARG A 88 5.076 -13.150 -18.323 1.00 0.00 C ATOM 1375 NH1 ARG A 88 5.989 -12.245 -18.698 1.00 0.00 N ATOM 1376 NH2 ARG A 88 4.449 -13.893 -19.245 1.00 0.00 N ATOM 0 H ARG A 88 4.954 -12.909 -11.928 1.00 0.00 H new ATOM 0 HA ARG A 88 3.554 -11.266 -13.846 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.674 -14.300 -13.602 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.184 -13.384 -15.013 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.910 -12.825 -13.848 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.690 -14.319 -14.737 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.950 -11.566 -15.839 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.474 -12.367 -16.163 1.00 0.00 H new ATOM 0 HE ARG A 88 4.088 -14.011 -16.772 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.465 -11.680 -17.995 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.208 -12.121 -19.686 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.753 -14.582 -18.958 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.667 -13.770 -20.234 1.00 0.00 H new ATOM 1390 N SER A 89 1.831 -13.552 -12.193 1.00 0.00 N ATOM 1391 CA SER A 89 0.527 -13.862 -11.630 1.00 0.00 C ATOM 1392 C SER A 89 0.253 -12.966 -10.421 1.00 0.00 C ATOM 1393 O SER A 89 -0.870 -12.918 -9.922 1.00 0.00 O ATOM 1394 CB SER A 89 0.437 -15.336 -11.230 1.00 0.00 C ATOM 1395 OG SER A 89 1.376 -15.672 -10.211 1.00 0.00 O ATOM 0 H SER A 89 2.502 -14.319 -12.162 1.00 0.00 H new ATOM 0 HA SER A 89 -0.229 -13.673 -12.392 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.572 -15.556 -10.880 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.614 -15.961 -12.106 1.00 0.00 H new ATOM 0 HG SER A 89 1.285 -16.621 -9.983 1.00 0.00 H new ATOM 1401 N LYS A 90 1.299 -12.278 -9.984 1.00 0.00 N ATOM 1402 CA LYS A 90 1.183 -11.387 -8.842 1.00 0.00 C ATOM 1403 C LYS A 90 0.324 -10.182 -9.227 1.00 0.00 C ATOM 1404 O LYS A 90 -0.226 -9.504 -8.359 1.00 0.00 O ATOM 1405 CB LYS A 90 2.571 -11.010 -8.316 1.00 0.00 C ATOM 1406 CG LYS A 90 3.048 -12.014 -7.265 1.00 0.00 C ATOM 1407 CD LYS A 90 2.644 -11.570 -5.857 1.00 0.00 C ATOM 1408 CE LYS A 90 2.615 -12.759 -4.895 1.00 0.00 C ATOM 1409 NZ LYS A 90 3.292 -12.415 -3.626 1.00 0.00 N ATOM 0 H LYS A 90 2.229 -12.320 -10.400 1.00 0.00 H new ATOM 0 HA LYS A 90 0.678 -11.888 -8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.281 -10.978 -9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.541 -10.010 -7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.624 -12.996 -7.476 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.132 -12.116 -7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.346 -10.820 -5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.662 -11.099 -5.888 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.583 -13.049 -4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.105 -13.618 -5.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.263 -13.233 -2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.282 -12.160 -3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.808 -11.609 -3.181 1.00 0.00 H new ATOM 1423 N ILE A 91 0.233 -9.950 -10.529 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.551 -8.838 -11.039 1.00 0.00 C ATOM 1425 C ILE A 91 -1.499 -9.345 -12.128 1.00 0.00 C ATOM 1426 O ILE A 91 -2.659 -8.941 -12.183 1.00 0.00 O ATOM 1427 CB ILE A 91 0.366 -7.703 -11.501 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.725 -7.857 -12.979 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.611 -7.609 -10.616 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.440 -6.610 -13.504 1.00 0.00 C ATOM 0 H ILE A 91 0.690 -10.514 -11.246 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.170 -8.414 -10.249 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.175 -6.763 -11.397 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.364 -8.730 -13.112 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.180 -8.033 -13.560 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.246 -6.795 -10.966 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.311 -7.418 -9.585 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.164 -8.547 -10.665 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.684 -6.747 -14.558 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.789 -5.743 -13.392 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.357 -6.451 -12.937 1.00 0.00 H new ATOM 1442 N THR A 92 -0.969 -10.223 -12.967 1.00 0.00 N ATOM 1443 CA THR A 92 -1.754 -10.788 -14.051 1.00 0.00 C ATOM 1444 C THR A 92 -3.245 -10.733 -13.715 1.00 0.00 C ATOM 1445 O THR A 92 -4.050 -10.264 -14.520 1.00 0.00 O ATOM 1446 CB THR A 92 -1.244 -12.206 -14.314 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.398 -12.375 -15.721 1.00 0.00 O ATOM 1448 CG2 THR A 92 -2.150 -13.278 -13.708 1.00 0.00 C ATOM 0 H THR A 92 -0.006 -10.557 -12.918 1.00 0.00 H new ATOM 0 HA THR A 92 -1.637 -10.209 -14.967 1.00 0.00 H new ATOM 0 HB THR A 92 -0.238 -12.310 -13.907 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.089 -13.269 -15.979 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.741 -14.265 -13.925 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.208 -13.138 -12.629 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.148 -13.196 -14.138 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.570 -11.218 -12.526 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.950 -11.228 -12.074 1.00 0.00 C ATOM 1458 C LYS A 93 -4.982 -11.308 -10.546 1.00 0.00 C ATOM 1459 O LYS A 93 -4.349 -12.180 -9.953 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.731 -12.349 -12.764 1.00 0.00 C ATOM 1461 CG LYS A 93 -7.239 -12.137 -12.619 1.00 0.00 C ATOM 1462 CD LYS A 93 -8.000 -13.450 -12.817 1.00 0.00 C ATOM 1463 CE LYS A 93 -8.748 -13.847 -11.542 1.00 0.00 C ATOM 1464 NZ LYS A 93 -10.209 -13.720 -11.737 1.00 0.00 N ATOM 0 H LYS A 93 -2.901 -11.607 -11.862 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.450 -10.301 -12.356 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.465 -12.385 -13.821 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.452 -13.310 -12.332 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.459 -11.730 -11.632 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.578 -11.402 -13.349 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.707 -13.344 -13.640 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.303 -14.240 -13.095 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.499 -14.873 -11.272 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.429 -13.213 -10.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -10.701 -13.993 -10.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -10.443 -12.735 -11.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -10.511 -14.343 -12.513 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.746 -10.363 -9.937 1.00 0.00 N ATOM 1479 CA PRO A 94 -5.869 -10.317 -8.489 1.00 0.00 C ATOM 1480 C PRO A 94 -6.784 -11.435 -7.981 1.00 0.00 C ATOM 1481 O PRO A 94 -7.058 -12.393 -8.703 1.00 0.00 O ATOM 1482 CB PRO A 94 -6.401 -8.927 -8.182 1.00 0.00 C ATOM 1483 CG PRO A 94 -6.994 -8.413 -9.484 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.511 -9.315 -10.606 1.00 0.00 C ATOM 0 HA PRO A 94 -4.920 -10.485 -7.981 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.155 -8.962 -7.396 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.604 -8.272 -7.830 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.083 -8.416 -9.434 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.686 -7.383 -9.663 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.348 -9.732 -11.166 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.893 -8.766 -11.317 1.00 0.00 H new ATOM 1492 N SER A 95 -7.230 -11.273 -6.745 1.00 0.00 N ATOM 1493 CA SER A 95 -8.108 -12.255 -6.133 1.00 0.00 C ATOM 1494 C SER A 95 -9.375 -11.571 -5.612 1.00 0.00 C ATOM 1495 O SER A 95 -9.440 -10.345 -5.544 1.00 0.00 O ATOM 1496 CB SER A 95 -7.400 -12.994 -4.996 1.00 0.00 C ATOM 1497 OG SER A 95 -7.319 -14.396 -5.240 1.00 0.00 O ATOM 0 H SER A 95 -7.000 -10.477 -6.151 1.00 0.00 H new ATOM 0 HA SER A 95 -8.383 -12.988 -6.892 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.396 -12.589 -4.870 1.00 0.00 H new ATOM 0 HB3 SER A 95 -7.934 -12.819 -4.062 1.00 0.00 H new ATOM 0 HG SER A 95 -6.859 -14.832 -4.493 1.00 0.00 H new ATOM 1503 N GLU A 96 -10.352 -12.396 -5.259 1.00 0.00 N ATOM 1504 CA GLU A 96 -11.612 -11.886 -4.748 1.00 0.00 C ATOM 1505 C GLU A 96 -12.193 -12.851 -3.712 1.00 0.00 C ATOM 1506 O GLU A 96 -11.653 -13.935 -3.496 1.00 0.00 O ATOM 1507 CB GLU A 96 -12.605 -11.639 -5.885 1.00 0.00 C ATOM 1508 CG GLU A 96 -13.124 -10.200 -5.856 1.00 0.00 C ATOM 1509 CD GLU A 96 -14.109 -9.950 -7.000 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -15.270 -10.391 -6.855 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -13.681 -9.323 -7.992 1.00 0.00 O ATOM 0 H GLU A 96 -10.295 -13.413 -5.317 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.424 -10.929 -4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.123 -11.837 -6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.441 -12.333 -5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -13.613 -10.005 -4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.287 -9.506 -5.934 1.00 0.00 H new ATOM 1518 N SER A 97 -13.287 -12.423 -3.098 1.00 0.00 N ATOM 1519 CA SER A 97 -13.946 -13.235 -2.089 1.00 0.00 C ATOM 1520 C SER A 97 -15.113 -12.459 -1.476 1.00 0.00 C ATOM 1521 O SER A 97 -15.280 -11.271 -1.740 1.00 0.00 O ATOM 1522 CB SER A 97 -12.963 -13.666 -1.000 1.00 0.00 C ATOM 1523 OG SER A 97 -13.000 -15.072 -0.773 1.00 0.00 O ATOM 0 H SER A 97 -13.733 -11.524 -3.280 1.00 0.00 H new ATOM 0 HA SER A 97 -14.329 -14.135 -2.570 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.953 -13.372 -1.286 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.197 -13.143 -0.073 1.00 0.00 H new ATOM 0 HG SER A 97 -12.357 -15.307 -0.072 1.00 0.00 H new ATOM 1529 N ILE A 98 -15.891 -13.165 -0.668 1.00 0.00 N ATOM 1530 CA ILE A 98 -17.039 -12.559 -0.015 1.00 0.00 C ATOM 1531 C ILE A 98 -17.577 -13.516 1.051 1.00 0.00 C ATOM 1532 O ILE A 98 -17.169 -14.674 1.115 1.00 0.00 O ATOM 1533 CB ILE A 98 -18.083 -12.137 -1.048 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -18.898 -10.942 -0.550 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -18.977 -13.317 -1.437 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -18.984 -9.852 -1.619 1.00 0.00 C ATOM 0 H ILE A 98 -15.749 -14.151 -0.451 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.746 -11.643 0.498 1.00 0.00 H new ATOM 0 HB ILE A 98 -17.560 -11.816 -1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -19.901 -11.270 -0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -18.440 -10.536 0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -19.711 -12.990 -2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -18.365 -14.112 -1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -19.492 -13.690 -0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -19.569 -9.015 -1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -17.980 -9.509 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -19.464 -10.254 -2.511 1.00 0.00 H new ATOM 1548 N ILE A 99 -18.486 -12.995 1.862 1.00 0.00 N ATOM 1549 CA ILE A 99 -19.087 -13.790 2.921 1.00 0.00 C ATOM 1550 C ILE A 99 -20.176 -12.969 3.613 1.00 0.00 C ATOM 1551 O ILE A 99 -19.984 -11.787 3.896 1.00 0.00 O ATOM 1552 CB ILE A 99 -18.009 -14.309 3.876 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -18.417 -15.654 4.483 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -17.683 -13.271 4.951 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -17.829 -16.816 3.682 1.00 0.00 C ATOM 0 H ILE A 99 -18.821 -12.033 1.808 1.00 0.00 H new ATOM 0 HA ILE A 99 -19.569 -14.676 2.507 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.097 -14.477 3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -18.075 -15.710 5.516 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -19.504 -15.734 4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -16.915 -13.665 5.616 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -17.320 -12.359 4.478 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -18.582 -13.049 5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -18.133 -17.760 4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -18.192 -16.771 2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -16.741 -16.746 3.685 1.00 0.00 H new ATOM 1567 N THR A 100 -21.299 -13.626 3.864 1.00 0.00 N ATOM 1568 CA THR A 100 -22.420 -12.973 4.517 1.00 0.00 C ATOM 1569 C THR A 100 -22.860 -13.770 5.747 1.00 0.00 C ATOM 1570 O THR A 100 -22.385 -14.882 5.973 1.00 0.00 O ATOM 1571 CB THR A 100 -23.532 -12.795 3.480 1.00 0.00 C ATOM 1572 OG1 THR A 100 -24.494 -11.976 4.140 1.00 0.00 O ATOM 1573 CG2 THR A 100 -24.283 -14.097 3.195 1.00 0.00 C ATOM 0 H THR A 100 -21.456 -14.605 3.626 1.00 0.00 H new ATOM 0 HA THR A 100 -22.141 -11.988 4.890 1.00 0.00 H new ATOM 0 HB THR A 100 -23.105 -12.413 2.553 1.00 0.00 H new ATOM 0 HG1 THR A 100 -25.249 -11.809 3.538 1.00 0.00 H new ATOM 0 HG21 THR A 100 -25.060 -13.914 2.453 1.00 0.00 H new ATOM 0 HG22 THR A 100 -23.586 -14.843 2.814 1.00 0.00 H new ATOM 0 HG23 THR A 100 -24.739 -14.463 4.115 1.00 0.00 H new ATOM 1581 N THR A 101 -23.762 -13.169 6.509 1.00 0.00 N ATOM 1582 CA THR A 101 -24.269 -13.808 7.711 1.00 0.00 C ATOM 1583 C THR A 101 -25.687 -13.320 8.017 1.00 0.00 C ATOM 1584 O THR A 101 -26.142 -12.328 7.448 1.00 0.00 O ATOM 1585 CB THR A 101 -23.278 -13.540 8.845 1.00 0.00 C ATOM 1586 OG1 THR A 101 -23.753 -14.347 9.919 1.00 0.00 O ATOM 1587 CG2 THR A 101 -23.374 -12.110 9.382 1.00 0.00 C ATOM 0 H THR A 101 -24.154 -12.247 6.317 1.00 0.00 H new ATOM 0 HA THR A 101 -24.350 -14.887 7.580 1.00 0.00 H new ATOM 0 HB THR A 101 -22.264 -13.727 8.492 1.00 0.00 H new ATOM 0 HG1 THR A 101 -23.167 -14.235 10.696 1.00 0.00 H new ATOM 0 HG21 THR A 101 -22.649 -11.973 10.185 1.00 0.00 H new ATOM 0 HG22 THR A 101 -23.163 -11.405 8.578 1.00 0.00 H new ATOM 0 HG23 THR A 101 -24.379 -11.932 9.766 1.00 0.00 H new ATOM 1595 N ILE A 102 -26.347 -14.039 8.912 1.00 0.00 N ATOM 1596 CA ILE A 102 -27.704 -13.692 9.299 1.00 0.00 C ATOM 1597 C ILE A 102 -27.856 -13.858 10.812 1.00 0.00 C ATOM 1598 O ILE A 102 -26.927 -14.296 11.489 1.00 0.00 O ATOM 1599 CB ILE A 102 -28.716 -14.499 8.486 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -30.074 -13.795 8.445 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -28.829 -15.931 9.016 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -30.695 -13.881 7.050 1.00 0.00 C ATOM 0 H ILE A 102 -25.967 -14.861 9.381 1.00 0.00 H new ATOM 0 HA ILE A 102 -27.910 -12.646 9.071 1.00 0.00 H new ATOM 0 HB ILE A 102 -28.355 -14.563 7.459 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -30.745 -14.249 9.174 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -29.954 -12.750 8.730 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -29.555 -16.483 8.420 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -27.858 -16.421 8.950 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -29.154 -15.909 10.056 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -31.659 -13.373 7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -30.033 -13.404 6.327 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -30.836 -14.927 6.778 1.00 0.00 H new ATOM 1614 N ASP A 103 -29.036 -13.501 11.299 1.00 0.00 N ATOM 1615 CA ASP A 103 -29.321 -13.606 12.719 1.00 0.00 C ATOM 1616 C ASP A 103 -30.722 -14.191 12.911 1.00 0.00 C ATOM 1617 O ASP A 103 -31.472 -14.347 11.948 1.00 0.00 O ATOM 1618 CB ASP A 103 -29.287 -12.232 13.393 1.00 0.00 C ATOM 1619 CG ASP A 103 -28.327 -12.115 14.576 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -28.108 -13.155 15.235 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -27.830 -10.988 14.796 1.00 0.00 O ATOM 0 H ASP A 103 -29.805 -13.139 10.735 1.00 0.00 H new ATOM 0 HA ASP A 103 -28.562 -14.246 13.168 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -29.013 -11.485 12.648 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -30.293 -11.987 13.735 1.00 0.00 H new ATOM 1626 N SER A 104 -31.034 -14.501 14.161 1.00 0.00 N ATOM 1627 CA SER A 104 -32.331 -15.065 14.492 1.00 0.00 C ATOM 1628 C SER A 104 -32.743 -14.639 15.901 1.00 0.00 C ATOM 1629 O SER A 104 -32.055 -13.845 16.540 1.00 0.00 O ATOM 1630 CB SER A 104 -32.312 -16.591 14.383 1.00 0.00 C ATOM 1631 OG SER A 104 -33.614 -17.128 14.174 1.00 0.00 O ATOM 0 H SER A 104 -30.410 -14.372 14.957 1.00 0.00 H new ATOM 0 HA SER A 104 -33.061 -14.686 13.777 1.00 0.00 H new ATOM 0 HB2 SER A 104 -31.661 -16.887 13.560 1.00 0.00 H new ATOM 0 HB3 SER A 104 -31.887 -17.014 15.293 1.00 0.00 H new ATOM 0 HG SER A 104 -33.559 -18.104 14.108 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.195 5.197 -17.806 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.792 7.071 -18.907 1.00 0.00 C HETATM 1640 CHB HEM A 105 -7.098 4.806 -21.043 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.711 3.132 -16.696 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.143 5.743 -14.567 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.838 5.806 -19.589 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.977 6.497 -19.875 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.167 6.592 -21.335 1.00 0.00 C HETATM 1646 C3A HEM A 105 -9.083 6.019 -21.948 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.254 5.543 -20.866 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.806 5.897 -23.446 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.383 7.181 -22.021 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.594 6.270 -21.887 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.228 4.801 -21.946 1.00 0.00 C HETATM 1652 O1A HEM A 105 -11.758 4.262 -20.928 1.00 0.00 O HETATM 1653 O2A HEM A 105 -12.366 4.183 -23.018 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.717 4.216 -18.667 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.382 4.172 -20.031 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.216 3.333 -20.260 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.868 2.810 -19.029 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.777 3.390 -18.067 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.601 3.018 -21.623 1.00 0.00 C HETATM 1660 CAB HEM A 105 -4.002 1.741 -18.705 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.711 1.492 -19.114 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.561 4.568 -16.024 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.533 3.674 -15.752 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.406 3.390 -14.305 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.386 4.137 -13.714 1.00 0.00 C HETATM 1666 C4C HEM A 105 -8.073 4.884 -14.776 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.380 2.409 -13.687 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.700 4.211 -12.350 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.716 4.283 -11.377 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.689 6.173 -16.908 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.911 6.342 -15.537 1.00 0.00 C HETATM 1672 C2D HEM A 105 -11.010 7.238 -15.291 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.433 7.641 -16.502 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.656 6.940 -17.517 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.617 7.619 -13.947 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.453 8.718 -16.779 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.832 8.116 -16.893 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.546 8.564 -18.147 1.00 0.00 C HETATM 1679 O1D HEM A 105 -15.793 8.570 -18.135 1.00 0.00 O HETATM 1680 O2D HEM A 105 -13.863 8.925 -19.135 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.750 5.840 -23.987 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.224 4.995 -23.636 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.246 6.769 -23.785 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -3.529 2.855 -21.510 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.771 3.854 -22.301 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -5.064 2.120 -22.032 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.163 1.613 -14.399 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.793 1.977 -12.775 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.461 2.945 -13.451 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.506 6.789 -13.249 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.675 7.845 -14.077 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -11.105 8.496 -13.552 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.188 0.604 -18.758 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.212 2.182 -19.794 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.993 4.340 -10.324 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.665 4.283 -11.664 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.304 6.496 -22.683 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -13.097 6.477 -20.943 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.164 7.344 -23.076 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.610 8.156 -21.589 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.422 8.396 -16.021 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.754 7.029 -16.890 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.199 9.240 -17.702 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.437 9.458 -15.979 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.612 7.679 -19.260 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.719 4.714 -22.050 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.947 2.448 -16.356 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.397 5.963 -13.541 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.421 0.998 -18.026 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.747 4.212 -12.046 1.00 0.00 H new