USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot 180:sc= -0.774 USER MOD Set 1.2: A 80 MET CE :methyl -160:sc= -0.442 (180deg=-1.95!) USER MOD Set 2.1: A 40 SER OG : rot -170:sc= 0.616 USER MOD Set 2.2: A 52 ASN : amide:sc= -3.17 K(o=-2.6,f=-3.5!) USER MOD Set 3.1: A 39 HIS : no HD1:sc= -2.57 K(o=-2.4,f=-3.5!) USER MOD Set 3.2: A 56 ASN : amide:sc= 0.142 K(o=-2.4,f=-3.5) USER MOD Set 4.1: A 31 ASN : amide:sc= -2.94! C(o=-13!,f=-14!) USER MOD Set 4.2: A 33 HIS : no HE2:sc= -10.4! C(o=-13!,f=-24!) USER MOD Set 5.1: A 11 LYS NZ :NH3+ -120:sc= 0.00607 (180deg=-0.134) USER MOD Set 5.2: A 97 TYR OH : rot 165:sc= 0.00542 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -73:sc= 0.77 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -141:sc= -0.0847 (180deg=-0.689) USER MOD Single : A -5 THR OG1 : rot 142:sc= 0.0467 USER MOD Single : A 12 THR OG1 : rot -72:sc= 0.425 USER MOD Single : A 16 GLN : amide:sc= -4.77! K(o=-4.8!,f=-1.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0199 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-4.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -13.7! C(o=-14!,f=-8.7!) USER MOD Single : A 46 TYR OH : rot -179:sc= -0.727 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0124 USER MOD Single : A 49 THR OG1 : rot 140:sc= -0.869 USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= -2.17 (180deg=-4.38!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 63 ASN : amide:sc= -5.88! C(o=-5.9!,f=-2.7!) USER MOD Single : A 64 MET CE :methyl -149:sc= -2.66 (180deg=-5.63!) USER MOD Single : A 65 SER OG : rot -72:sc= 1.05 USER MOD Single : A 69 THR OG1 : rot -84:sc= -0.444 USER MOD Single : A 70 ASN : amide:sc= -0.0609 K(o=-0.061,f=-2!) USER MOD Single : A 71 HIS : no HD1:sc= -1.66! C(o=-1.7!,f=-5.6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -145:sc= 0.15 USER MOD Single : A 78 THR OG1 : rot 110:sc= -1.25 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 152:sc= -0.279 (180deg=-1.33!) USER MOD Single : A 87 LYS NZ :NH3+ -128:sc= 0.0057 (180deg=-0.816) USER MOD Single : A 89 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0673) USER MOD Single : A 92 ASN : amide:sc= -2.4! K(o=-2.4!,f=-0.19) USER MOD Single : A 96 THR OG1 : rot 82:sc= -0.529 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -162:sc=-0.00266 (180deg=-0.274) USER MOD Single : A 102 THR OG1 : rot -110:sc= -0.711 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 14.040 -7.974 -6.830 1.00 0.00 N ATOM 2 CA THR A -5 15.106 -6.980 -7.141 1.00 0.00 C ATOM 3 C THR A -5 15.352 -6.097 -5.916 1.00 0.00 C ATOM 4 O THR A -5 15.821 -6.556 -4.893 1.00 0.00 O ATOM 5 CB THR A -5 14.662 -6.107 -8.317 1.00 0.00 C ATOM 6 OG1 THR A -5 13.483 -5.400 -7.961 1.00 0.00 O ATOM 7 CG2 THR A -5 14.382 -6.991 -9.533 1.00 0.00 C ATOM 0 H1 THR A -5 14.282 -8.889 -7.261 1.00 0.00 H new ATOM 0 H2 THR A -5 13.960 -8.087 -5.799 1.00 0.00 H new ATOM 0 H3 THR A -5 13.132 -7.641 -7.213 1.00 0.00 H new ATOM 0 HA THR A -5 16.026 -7.503 -7.403 1.00 0.00 H new ATOM 0 HB THR A -5 15.452 -5.397 -8.561 1.00 0.00 H new ATOM 0 HG1 THR A -5 13.518 -4.495 -8.336 1.00 0.00 H new ATOM 0 HG21 THR A -5 14.066 -6.369 -10.370 1.00 0.00 H new ATOM 0 HG22 THR A -5 15.288 -7.533 -9.805 1.00 0.00 H new ATOM 0 HG23 THR A -5 13.592 -7.703 -9.291 1.00 0.00 H new ATOM 17 N GLU A -4 15.041 -4.834 -6.010 1.00 0.00 N ATOM 18 CA GLU A -4 15.259 -3.924 -4.850 1.00 0.00 C ATOM 19 C GLU A -4 14.410 -4.394 -3.668 1.00 0.00 C ATOM 20 O GLU A -4 14.798 -4.267 -2.523 1.00 0.00 O ATOM 21 CB GLU A -4 14.852 -2.500 -5.236 1.00 0.00 C ATOM 22 CG GLU A -4 15.772 -1.989 -6.347 1.00 0.00 C ATOM 23 CD GLU A -4 15.409 -0.542 -6.686 1.00 0.00 C ATOM 24 OE1 GLU A -4 14.396 -0.075 -6.192 1.00 0.00 O ATOM 25 OE2 GLU A -4 16.150 0.074 -7.434 1.00 0.00 O ATOM 0 H GLU A -4 14.645 -4.392 -6.840 1.00 0.00 H new ATOM 0 HA GLU A -4 16.312 -3.938 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU A -4 13.815 -2.485 -5.572 1.00 0.00 H new ATOM 0 HB3 GLU A -4 14.915 -1.845 -4.367 1.00 0.00 H new ATOM 0 HG2 GLU A -4 16.813 -2.049 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A -4 15.673 -2.617 -7.233 1.00 0.00 H new ATOM 32 N PHE A -3 13.253 -4.937 -3.934 1.00 0.00 N ATOM 33 CA PHE A -3 12.380 -5.416 -2.825 1.00 0.00 C ATOM 34 C PHE A -3 12.473 -6.938 -2.716 1.00 0.00 C ATOM 35 O PHE A -3 12.346 -7.650 -3.693 1.00 0.00 O ATOM 36 CB PHE A -3 10.930 -5.012 -3.106 1.00 0.00 C ATOM 37 CG PHE A -3 9.990 -5.934 -2.361 1.00 0.00 C ATOM 38 CD1 PHE A -3 10.272 -6.319 -1.043 1.00 0.00 C ATOM 39 CD2 PHE A -3 8.833 -6.408 -2.993 1.00 0.00 C ATOM 40 CE1 PHE A -3 9.401 -7.176 -0.363 1.00 0.00 C ATOM 41 CE2 PHE A -3 7.962 -7.264 -2.310 1.00 0.00 C ATOM 42 CZ PHE A -3 8.245 -7.647 -0.995 1.00 0.00 C ATOM 0 H PHE A -3 12.875 -5.070 -4.872 1.00 0.00 H new ATOM 0 HA PHE A -3 12.709 -4.967 -1.888 1.00 0.00 H new ATOM 0 HB2 PHE A -3 10.763 -3.980 -2.797 1.00 0.00 H new ATOM 0 HB3 PHE A -3 10.730 -5.060 -4.176 1.00 0.00 H new ATOM 0 HD1 PHE A -3 11.162 -5.954 -0.553 1.00 0.00 H new ATOM 0 HD2 PHE A -3 8.613 -6.112 -4.008 1.00 0.00 H new ATOM 0 HE1 PHE A -3 9.621 -7.475 0.651 1.00 0.00 H new ATOM 0 HE2 PHE A -3 7.071 -7.629 -2.799 1.00 0.00 H new ATOM 0 HZ PHE A -3 7.571 -8.306 -0.468 1.00 0.00 H new ATOM 52 N LYS A -2 12.684 -7.440 -1.529 1.00 0.00 N ATOM 53 CA LYS A -2 12.777 -8.913 -1.337 1.00 0.00 C ATOM 54 C LYS A -2 11.721 -9.350 -0.321 1.00 0.00 C ATOM 55 O LYS A -2 11.615 -8.794 0.755 1.00 0.00 O ATOM 56 CB LYS A -2 14.170 -9.274 -0.816 1.00 0.00 C ATOM 57 CG LYS A -2 14.320 -10.796 -0.772 1.00 0.00 C ATOM 58 CD LYS A -2 15.688 -11.157 -0.190 1.00 0.00 C ATOM 59 CE LYS A -2 15.903 -12.668 -0.289 1.00 0.00 C ATOM 60 NZ LYS A -2 16.440 -13.180 1.004 1.00 0.00 N ATOM 0 H LYS A -2 12.796 -6.887 -0.679 1.00 0.00 H new ATOM 0 HA LYS A -2 12.607 -9.420 -2.287 1.00 0.00 H new ATOM 0 HB2 LYS A -2 14.935 -8.841 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS A -2 14.318 -8.854 0.179 1.00 0.00 H new ATOM 0 HG2 LYS A -2 13.528 -11.233 -0.164 1.00 0.00 H new ATOM 0 HG3 LYS A -2 14.218 -11.211 -1.775 1.00 0.00 H new ATOM 0 HD2 LYS A -2 16.475 -10.631 -0.730 1.00 0.00 H new ATOM 0 HD3 LYS A -2 15.748 -10.838 0.851 1.00 0.00 H new ATOM 0 HE2 LYS A -2 14.962 -13.165 -0.527 1.00 0.00 H new ATOM 0 HE3 LYS A -2 16.597 -12.895 -1.098 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 16.586 -14.207 0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 17.346 -12.714 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 15.763 -12.976 1.766 1.00 0.00 H new ATOM 74 N ALA A -1 10.933 -10.333 -0.654 1.00 0.00 N ATOM 75 CA ALA A -1 9.882 -10.794 0.293 1.00 0.00 C ATOM 76 C ALA A -1 10.528 -11.260 1.598 1.00 0.00 C ATOM 77 O ALA A -1 10.981 -12.381 1.713 1.00 0.00 O ATOM 78 CB ALA A -1 9.104 -11.952 -0.333 1.00 0.00 C ATOM 0 H ALA A -1 10.971 -10.837 -1.540 1.00 0.00 H new ATOM 0 HA ALA A -1 9.202 -9.969 0.504 1.00 0.00 H new ATOM 0 HB1 ALA A -1 8.334 -12.290 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A -1 8.637 -11.618 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA A -1 9.786 -12.775 -0.547 1.00 0.00 H new ATOM 84 N GLY A 1 10.567 -10.408 2.584 1.00 0.00 N ATOM 85 CA GLY A 1 11.176 -10.800 3.886 1.00 0.00 C ATOM 86 C GLY A 1 10.130 -11.534 4.725 1.00 0.00 C ATOM 87 O GLY A 1 9.686 -12.609 4.372 1.00 0.00 O ATOM 0 H GLY A 1 10.203 -9.456 2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.042 -11.441 3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.531 -9.917 4.416 1.00 0.00 H new ATOM 91 N SER A 2 9.726 -10.960 5.828 1.00 0.00 N ATOM 92 CA SER A 2 8.699 -11.622 6.683 1.00 0.00 C ATOM 93 C SER A 2 7.494 -10.691 6.834 1.00 0.00 C ATOM 94 O SER A 2 7.637 -9.504 7.050 1.00 0.00 O ATOM 95 CB SER A 2 9.294 -11.911 8.061 1.00 0.00 C ATOM 96 OG SER A 2 10.431 -12.752 7.914 1.00 0.00 O ATOM 0 H SER A 2 10.063 -10.061 6.173 1.00 0.00 H new ATOM 0 HA SER A 2 8.384 -12.557 6.220 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.577 -10.979 8.550 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.551 -12.392 8.697 1.00 0.00 H new ATOM 0 HG SER A 2 10.816 -12.938 8.796 1.00 0.00 H new ATOM 102 N ALA A 3 6.307 -11.222 6.725 1.00 0.00 N ATOM 103 CA ALA A 3 5.094 -10.370 6.865 1.00 0.00 C ATOM 104 C ALA A 3 4.911 -9.973 8.331 1.00 0.00 C ATOM 105 O ALA A 3 4.402 -8.915 8.639 1.00 0.00 O ATOM 106 CB ALA A 3 3.865 -11.150 6.392 1.00 0.00 C ATOM 0 H ALA A 3 6.125 -12.209 6.545 1.00 0.00 H new ATOM 0 HA ALA A 3 5.212 -9.472 6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.977 -10.527 6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.993 -11.431 5.347 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.749 -12.049 6.998 1.00 0.00 H new ATOM 112 N LYS A 4 5.314 -10.821 9.236 1.00 0.00 N ATOM 113 CA LYS A 4 5.155 -10.507 10.681 1.00 0.00 C ATOM 114 C LYS A 4 5.924 -9.235 11.018 1.00 0.00 C ATOM 115 O LYS A 4 5.426 -8.345 11.679 1.00 0.00 O ATOM 116 CB LYS A 4 5.733 -11.658 11.498 1.00 0.00 C ATOM 117 CG LYS A 4 5.087 -12.963 11.048 1.00 0.00 C ATOM 118 CD LYS A 4 5.620 -14.124 11.894 1.00 0.00 C ATOM 119 CE LYS A 4 5.061 -14.033 13.318 1.00 0.00 C ATOM 120 NZ LYS A 4 6.172 -13.743 14.269 1.00 0.00 N ATOM 0 H LYS A 4 5.748 -11.722 9.035 1.00 0.00 H new ATOM 0 HA LYS A 4 4.099 -10.367 10.910 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.814 -11.708 11.365 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.550 -11.494 12.560 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.004 -12.896 11.147 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.301 -13.141 9.994 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.336 -15.075 11.443 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.709 -14.096 11.919 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.306 -13.249 13.374 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.571 -14.968 13.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.794 -13.681 15.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.878 -14.505 14.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.620 -12.840 14.014 1.00 0.00 H new ATOM 134 N LYS A 5 7.142 -9.155 10.575 1.00 0.00 N ATOM 135 CA LYS A 5 7.966 -7.952 10.870 1.00 0.00 C ATOM 136 C LYS A 5 7.289 -6.703 10.299 1.00 0.00 C ATOM 137 O LYS A 5 7.123 -5.713 10.982 1.00 0.00 O ATOM 138 CB LYS A 5 9.346 -8.121 10.236 1.00 0.00 C ATOM 139 CG LYS A 5 10.071 -9.296 10.894 1.00 0.00 C ATOM 140 CD LYS A 5 11.494 -9.392 10.342 1.00 0.00 C ATOM 141 CE LYS A 5 12.180 -10.637 10.909 1.00 0.00 C ATOM 142 NZ LYS A 5 13.600 -10.318 11.230 1.00 0.00 N ATOM 0 H LYS A 5 7.607 -9.873 10.019 1.00 0.00 H new ATOM 0 HA LYS A 5 8.068 -7.839 11.949 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.247 -8.296 9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.928 -7.207 10.357 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.097 -9.161 11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.532 -10.223 10.702 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.470 -9.441 9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.060 -8.499 10.609 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.660 -10.975 11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.133 -11.452 10.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.067 -11.163 11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.092 -10.015 10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.633 -9.553 11.934 1.00 0.00 H new ATOM 156 N GLY A 6 6.887 -6.740 9.058 1.00 0.00 N ATOM 157 CA GLY A 6 6.215 -5.549 8.468 1.00 0.00 C ATOM 158 C GLY A 6 4.811 -5.426 9.055 1.00 0.00 C ATOM 159 O GLY A 6 4.299 -4.342 9.238 1.00 0.00 O ATOM 0 H GLY A 6 6.994 -7.538 8.431 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.791 -4.648 8.680 1.00 0.00 H new ATOM 0 HA3 GLY A 6 6.162 -5.646 7.384 1.00 0.00 H new ATOM 163 N ALA A 7 4.183 -6.531 9.355 1.00 0.00 N ATOM 164 CA ALA A 7 2.814 -6.469 9.935 1.00 0.00 C ATOM 165 C ALA A 7 2.860 -5.614 11.197 1.00 0.00 C ATOM 166 O ALA A 7 1.997 -4.794 11.438 1.00 0.00 O ATOM 167 CB ALA A 7 2.339 -7.880 10.287 1.00 0.00 C ATOM 0 H ALA A 7 4.559 -7.470 9.223 1.00 0.00 H new ATOM 0 HA ALA A 7 2.123 -6.033 9.213 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.336 -7.831 10.711 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.322 -8.494 9.386 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.020 -8.322 11.014 1.00 0.00 H new ATOM 173 N THR A 8 3.879 -5.780 11.992 1.00 0.00 N ATOM 174 CA THR A 8 4.000 -4.959 13.223 1.00 0.00 C ATOM 175 C THR A 8 4.164 -3.505 12.798 1.00 0.00 C ATOM 176 O THR A 8 3.527 -2.608 13.311 1.00 0.00 O ATOM 177 CB THR A 8 5.241 -5.402 13.993 1.00 0.00 C ATOM 178 OG1 THR A 8 6.401 -5.079 13.239 1.00 0.00 O ATOM 179 CG2 THR A 8 5.186 -6.911 14.223 1.00 0.00 C ATOM 0 H THR A 8 4.633 -6.450 11.841 1.00 0.00 H new ATOM 0 HA THR A 8 3.120 -5.075 13.856 1.00 0.00 H new ATOM 0 HB THR A 8 5.277 -4.891 14.955 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.477 -5.690 12.477 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.072 -7.228 14.773 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.294 -7.159 14.798 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.152 -7.425 13.262 1.00 0.00 H new ATOM 187 N LEU A 9 5.012 -3.285 11.838 1.00 0.00 N ATOM 188 CA LEU A 9 5.242 -1.911 11.323 1.00 0.00 C ATOM 189 C LEU A 9 3.941 -1.366 10.733 1.00 0.00 C ATOM 190 O LEU A 9 3.590 -0.217 10.913 1.00 0.00 O ATOM 191 CB LEU A 9 6.299 -1.983 10.224 1.00 0.00 C ATOM 192 CG LEU A 9 7.632 -2.454 10.812 1.00 0.00 C ATOM 193 CD1 LEU A 9 8.691 -2.438 9.716 1.00 0.00 C ATOM 194 CD2 LEU A 9 8.068 -1.514 11.940 1.00 0.00 C ATOM 0 H LEU A 9 5.564 -4.011 11.381 1.00 0.00 H new ATOM 0 HA LEU A 9 5.575 -1.257 12.129 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.975 -2.668 9.440 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.422 -1.004 9.761 1.00 0.00 H new ATOM 0 HG LEU A 9 7.514 -3.462 11.209 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.644 -2.772 10.126 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.389 -3.105 8.909 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.798 -1.425 9.328 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.017 -1.856 12.353 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.186 -0.504 11.547 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.311 -1.511 12.724 1.00 0.00 H new ATOM 206 N PHE A 10 3.231 -2.195 10.025 1.00 0.00 N ATOM 207 CA PHE A 10 1.950 -1.763 9.400 1.00 0.00 C ATOM 208 C PHE A 10 0.884 -1.564 10.483 1.00 0.00 C ATOM 209 O PHE A 10 0.280 -0.514 10.595 1.00 0.00 O ATOM 210 CB PHE A 10 1.500 -2.862 8.433 1.00 0.00 C ATOM 211 CG PHE A 10 0.283 -2.425 7.657 1.00 0.00 C ATOM 212 CD1 PHE A 10 -0.993 -2.565 8.215 1.00 0.00 C ATOM 213 CD2 PHE A 10 0.430 -1.890 6.371 1.00 0.00 C ATOM 214 CE1 PHE A 10 -2.122 -2.170 7.488 1.00 0.00 C ATOM 215 CE2 PHE A 10 -0.699 -1.499 5.643 1.00 0.00 C ATOM 216 CZ PHE A 10 -1.975 -1.638 6.201 1.00 0.00 C ATOM 0 H PHE A 10 3.486 -3.167 9.850 1.00 0.00 H new ATOM 0 HA PHE A 10 2.089 -0.821 8.869 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.310 -3.101 7.744 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.275 -3.772 8.989 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.106 -2.978 9.207 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.415 -1.779 5.941 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.106 -2.276 7.920 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.586 -1.090 4.650 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.846 -1.335 5.639 1.00 0.00 H new ATOM 226 N LYS A 11 0.649 -2.573 11.280 1.00 0.00 N ATOM 227 CA LYS A 11 -0.375 -2.461 12.353 1.00 0.00 C ATOM 228 C LYS A 11 0.017 -1.354 13.332 1.00 0.00 C ATOM 229 O LYS A 11 -0.821 -0.657 13.866 1.00 0.00 O ATOM 230 CB LYS A 11 -0.469 -3.792 13.098 1.00 0.00 C ATOM 231 CG LYS A 11 -0.997 -4.872 12.151 1.00 0.00 C ATOM 232 CD LYS A 11 -1.194 -6.177 12.922 1.00 0.00 C ATOM 233 CE LYS A 11 -1.604 -7.288 11.952 1.00 0.00 C ATOM 234 NZ LYS A 11 -2.991 -7.037 11.468 1.00 0.00 N ATOM 0 H LYS A 11 1.126 -3.473 11.231 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.340 -2.218 11.909 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.511 -4.077 13.481 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.131 -3.693 13.959 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.941 -4.553 11.709 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.296 -5.025 11.330 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.272 -6.450 13.436 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.959 -6.047 13.687 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.914 -7.323 11.109 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.550 -8.257 12.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.601 -7.838 11.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.358 -6.166 11.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.984 -6.932 10.433 1.00 0.00 H new ATOM 248 N THR A 12 1.283 -1.191 13.577 1.00 0.00 N ATOM 249 CA THR A 12 1.721 -0.132 14.525 1.00 0.00 C ATOM 250 C THR A 12 1.746 1.223 13.818 1.00 0.00 C ATOM 251 O THR A 12 1.883 2.254 14.448 1.00 0.00 O ATOM 252 CB THR A 12 3.121 -0.460 15.049 1.00 0.00 C ATOM 253 OG1 THR A 12 4.043 -0.454 13.968 1.00 0.00 O ATOM 254 CG2 THR A 12 3.111 -1.840 15.711 1.00 0.00 C ATOM 0 H THR A 12 2.034 -1.744 13.163 1.00 0.00 H new ATOM 0 HA THR A 12 1.020 -0.088 15.359 1.00 0.00 H new ATOM 0 HB THR A 12 3.419 0.288 15.784 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.898 -1.246 13.410 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.109 -2.072 16.084 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.405 -1.840 16.541 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.813 -2.592 14.980 1.00 0.00 H new ATOM 262 N ARG A 13 1.633 1.244 12.515 1.00 0.00 N ATOM 263 CA ARG A 13 1.673 2.554 11.805 1.00 0.00 C ATOM 264 C ARG A 13 0.900 2.501 10.484 1.00 0.00 C ATOM 265 O ARG A 13 1.412 2.885 9.452 1.00 0.00 O ATOM 266 CB ARG A 13 3.129 2.919 11.508 1.00 0.00 C ATOM 267 CG ARG A 13 3.862 3.235 12.814 1.00 0.00 C ATOM 268 CD ARG A 13 5.245 3.808 12.497 1.00 0.00 C ATOM 269 NE ARG A 13 6.024 3.950 13.759 1.00 0.00 N ATOM 270 CZ ARG A 13 6.672 2.927 14.245 1.00 0.00 C ATOM 271 NH1 ARG A 13 6.640 1.779 13.625 1.00 0.00 N ATOM 272 NH2 ARG A 13 7.353 3.052 15.351 1.00 0.00 N ATOM 0 H ARG A 13 1.517 0.423 11.921 1.00 0.00 H new ATOM 0 HA ARG A 13 1.208 3.301 12.448 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.622 2.094 10.994 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.169 3.780 10.841 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.287 3.950 13.403 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.960 2.332 13.416 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.772 3.153 11.803 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.146 4.777 12.007 1.00 0.00 H new ATOM 0 HE ARG A 13 6.051 4.847 14.243 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.108 1.681 12.760 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.147 0.980 14.005 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.379 3.949 15.835 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.860 2.252 15.731 1.00 0.00 H new ATOM 286 N CYS A 14 -0.322 2.049 10.491 1.00 0.00 N ATOM 287 CA CYS A 14 -1.085 2.007 9.211 1.00 0.00 C ATOM 288 C CYS A 14 -2.579 1.813 9.490 1.00 0.00 C ATOM 289 O CYS A 14 -3.412 2.062 8.641 1.00 0.00 O ATOM 290 CB CYS A 14 -0.564 0.850 8.359 1.00 0.00 C ATOM 291 SG CYS A 14 -0.848 1.197 6.602 1.00 0.00 S ATOM 0 H CYS A 14 -0.821 1.711 11.314 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.950 2.949 8.679 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.501 0.703 8.542 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.066 -0.075 8.641 1.00 0.00 H new ATOM 296 N LEU A 15 -2.926 1.369 10.664 1.00 0.00 N ATOM 297 CA LEU A 15 -4.369 1.157 10.985 1.00 0.00 C ATOM 298 C LEU A 15 -5.111 2.496 10.961 1.00 0.00 C ATOM 299 O LEU A 15 -6.266 2.570 10.592 1.00 0.00 O ATOM 300 CB LEU A 15 -4.492 0.538 12.378 1.00 0.00 C ATOM 301 CG LEU A 15 -3.583 -0.687 12.469 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.838 -1.418 13.788 1.00 0.00 C ATOM 303 CD2 LEU A 15 -3.868 -1.627 11.298 1.00 0.00 C ATOM 0 H LEU A 15 -2.276 1.143 11.417 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.807 0.489 10.243 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.215 1.268 13.139 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.526 0.253 12.572 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.542 -0.367 12.429 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.189 -2.291 13.851 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.627 -0.748 14.622 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.880 -1.736 13.832 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.218 -2.500 11.365 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.910 -1.946 11.333 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.680 -1.106 10.359 1.00 0.00 H new ATOM 315 N GLN A 16 -4.460 3.551 11.364 1.00 0.00 N ATOM 316 CA GLN A 16 -5.128 4.884 11.378 1.00 0.00 C ATOM 317 C GLN A 16 -5.915 5.096 10.082 1.00 0.00 C ATOM 318 O GLN A 16 -6.741 5.982 9.987 1.00 0.00 O ATOM 319 CB GLN A 16 -4.070 5.980 11.524 1.00 0.00 C ATOM 320 CG GLN A 16 -3.224 6.052 10.253 1.00 0.00 C ATOM 321 CD GLN A 16 -1.990 6.920 10.512 1.00 0.00 C ATOM 322 OE1 GLN A 16 -1.376 6.826 11.556 1.00 0.00 O ATOM 323 NE2 GLN A 16 -1.601 7.767 9.600 1.00 0.00 N ATOM 0 H GLN A 16 -3.492 3.549 11.685 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.820 4.928 12.219 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.551 6.941 11.707 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.434 5.773 12.385 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.920 5.051 9.948 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.811 6.470 9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.117 7.845 8.724 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.781 8.351 9.763 1.00 0.00 H new ATOM 332 N CYS A 17 -5.671 4.293 9.080 1.00 0.00 N ATOM 333 CA CYS A 17 -6.413 4.461 7.796 1.00 0.00 C ATOM 334 C CYS A 17 -6.814 3.086 7.253 1.00 0.00 C ATOM 335 O CYS A 17 -7.896 2.600 7.519 1.00 0.00 O ATOM 336 CB CYS A 17 -5.519 5.173 6.782 1.00 0.00 C ATOM 337 SG CYS A 17 -5.347 6.918 7.253 1.00 0.00 S ATOM 0 H CYS A 17 -4.993 3.531 9.095 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.310 5.056 7.969 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.540 4.696 6.746 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.949 5.095 5.783 1.00 0.00 H new ATOM 342 N HIS A 18 -5.954 2.449 6.502 1.00 0.00 N ATOM 343 CA HIS A 18 -6.306 1.105 5.961 1.00 0.00 C ATOM 344 C HIS A 18 -6.680 0.188 7.126 1.00 0.00 C ATOM 345 O HIS A 18 -5.827 -0.344 7.808 1.00 0.00 O ATOM 346 CB HIS A 18 -5.106 0.509 5.217 1.00 0.00 C ATOM 347 CG HIS A 18 -4.721 1.390 4.060 1.00 0.00 C ATOM 348 ND1 HIS A 18 -5.337 1.300 2.815 1.00 0.00 N ATOM 349 CD2 HIS A 18 -3.770 2.372 3.938 1.00 0.00 C ATOM 350 CE1 HIS A 18 -4.749 2.203 2.005 1.00 0.00 C ATOM 351 NE2 HIS A 18 -3.794 2.875 2.645 1.00 0.00 N ATOM 0 H HIS A 18 -5.031 2.798 6.242 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.143 1.199 5.270 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.262 0.403 5.899 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.352 -0.490 4.857 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -6.095 0.666 2.562 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.107 2.701 4.725 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -5.018 2.361 0.971 1.00 0.00 H new ATOM 359 N THR A 19 -7.949 0.004 7.365 1.00 0.00 N ATOM 360 CA THR A 19 -8.374 -0.872 8.492 1.00 0.00 C ATOM 361 C THR A 19 -7.759 -2.265 8.313 1.00 0.00 C ATOM 362 O THR A 19 -7.349 -2.901 9.263 1.00 0.00 O ATOM 363 CB THR A 19 -9.901 -0.977 8.504 1.00 0.00 C ATOM 364 OG1 THR A 19 -10.462 0.327 8.461 1.00 0.00 O ATOM 365 CG2 THR A 19 -10.357 -1.682 9.781 1.00 0.00 C ATOM 0 H THR A 19 -8.709 0.422 6.829 1.00 0.00 H new ATOM 0 HA THR A 19 -8.034 -0.447 9.437 1.00 0.00 H new ATOM 0 HB THR A 19 -10.232 -1.548 7.637 1.00 0.00 H new ATOM 0 HG1 THR A 19 -11.440 0.263 8.467 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.444 -1.756 9.787 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.925 -2.682 9.818 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.027 -1.112 10.649 1.00 0.00 H new ATOM 373 N VAL A 20 -7.687 -2.735 7.098 1.00 0.00 N ATOM 374 CA VAL A 20 -7.096 -4.080 6.842 1.00 0.00 C ATOM 375 C VAL A 20 -7.565 -5.080 7.901 1.00 0.00 C ATOM 376 O VAL A 20 -6.804 -5.902 8.373 1.00 0.00 O ATOM 377 CB VAL A 20 -5.573 -3.980 6.876 1.00 0.00 C ATOM 378 CG1 VAL A 20 -4.959 -5.309 6.431 1.00 0.00 C ATOM 379 CG2 VAL A 20 -5.121 -2.869 5.929 1.00 0.00 C ATOM 0 H VAL A 20 -8.014 -2.243 6.267 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.422 -4.427 5.862 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.246 -3.755 7.891 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.872 -5.234 6.456 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.284 -6.103 7.103 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.283 -5.538 5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.034 -2.793 5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.450 -3.099 4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.557 -1.921 6.246 1.00 0.00 H new ATOM 389 N GLU A 21 -8.814 -5.031 8.270 1.00 0.00 N ATOM 390 CA GLU A 21 -9.325 -5.995 9.283 1.00 0.00 C ATOM 391 C GLU A 21 -9.852 -7.228 8.543 1.00 0.00 C ATOM 392 O GLU A 21 -10.714 -7.935 9.020 1.00 0.00 O ATOM 393 CB GLU A 21 -10.453 -5.346 10.093 1.00 0.00 C ATOM 394 CG GLU A 21 -10.708 -6.148 11.375 1.00 0.00 C ATOM 395 CD GLU A 21 -11.893 -5.542 12.129 1.00 0.00 C ATOM 396 OE1 GLU A 21 -12.451 -4.576 11.636 1.00 0.00 O ATOM 397 OE2 GLU A 21 -12.221 -6.052 13.187 1.00 0.00 O ATOM 0 H GLU A 21 -9.502 -4.367 7.915 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.529 -6.282 9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.187 -4.319 10.344 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.363 -5.303 9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.914 -7.190 11.130 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.819 -6.138 12.005 1.00 0.00 H new ATOM 404 N LYS A 22 -9.342 -7.471 7.363 1.00 0.00 N ATOM 405 CA LYS A 22 -9.799 -8.642 6.558 1.00 0.00 C ATOM 406 C LYS A 22 -11.264 -8.449 6.171 1.00 0.00 C ATOM 407 O LYS A 22 -12.122 -9.235 6.523 1.00 0.00 O ATOM 408 CB LYS A 22 -9.633 -9.932 7.357 1.00 0.00 C ATOM 409 CG LYS A 22 -8.221 -9.989 7.938 1.00 0.00 C ATOM 410 CD LYS A 22 -7.188 -9.938 6.809 1.00 0.00 C ATOM 411 CE LYS A 22 -5.823 -10.359 7.352 1.00 0.00 C ATOM 412 NZ LYS A 22 -5.686 -11.841 7.263 1.00 0.00 N ATOM 0 H LYS A 22 -8.621 -6.902 6.919 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.192 -8.715 5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.370 -9.974 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.810 -10.796 6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.066 -9.154 8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.094 -10.903 8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.488 -10.599 5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.133 -8.931 6.397 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.029 -9.875 6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.716 -10.035 8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.757 -12.127 7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.436 -12.293 7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.770 -12.138 6.270 1.00 0.00 H new ATOM 426 N GLY A 23 -11.555 -7.403 5.448 1.00 0.00 N ATOM 427 CA GLY A 23 -12.963 -7.145 5.034 1.00 0.00 C ATOM 428 C GLY A 23 -13.569 -6.056 5.920 1.00 0.00 C ATOM 429 O GLY A 23 -14.768 -5.865 5.953 1.00 0.00 O ATOM 0 H GLY A 23 -10.876 -6.714 5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.994 -6.836 3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.549 -8.060 5.114 1.00 0.00 H new ATOM 433 N GLY A 24 -12.750 -5.337 6.639 1.00 0.00 N ATOM 434 CA GLY A 24 -13.282 -4.259 7.521 1.00 0.00 C ATOM 435 C GLY A 24 -13.824 -3.113 6.665 1.00 0.00 C ATOM 436 O GLY A 24 -13.520 -3.003 5.494 1.00 0.00 O ATOM 0 H GLY A 24 -11.736 -5.449 6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.072 -4.655 8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.494 -3.893 8.180 1.00 0.00 H new ATOM 440 N PRO A 25 -14.620 -2.264 7.256 1.00 0.00 N ATOM 441 CA PRO A 25 -15.223 -1.093 6.555 1.00 0.00 C ATOM 442 C PRO A 25 -14.156 -0.217 5.892 1.00 0.00 C ATOM 443 O PRO A 25 -12.989 -0.294 6.220 1.00 0.00 O ATOM 444 CB PRO A 25 -15.948 -0.313 7.661 1.00 0.00 C ATOM 445 CG PRO A 25 -15.489 -0.900 8.959 1.00 0.00 C ATOM 446 CD PRO A 25 -15.031 -2.325 8.660 1.00 0.00 C ATOM 0 HA PRO A 25 -15.890 -1.406 5.752 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.709 0.749 7.608 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -17.029 -0.402 7.555 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.674 -0.313 9.382 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.297 -0.899 9.691 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.207 -2.626 9.307 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.835 -3.045 8.812 1.00 0.00 H new ATOM 454 N HIS A 26 -14.540 0.610 4.959 1.00 0.00 N ATOM 455 CA HIS A 26 -13.535 1.474 4.282 1.00 0.00 C ATOM 456 C HIS A 26 -13.491 2.844 4.955 1.00 0.00 C ATOM 457 O HIS A 26 -14.509 3.445 5.236 1.00 0.00 O ATOM 458 CB HIS A 26 -13.915 1.662 2.812 1.00 0.00 C ATOM 459 CG HIS A 26 -13.951 0.328 2.119 1.00 0.00 C ATOM 460 ND1 HIS A 26 -12.812 -0.262 1.591 1.00 0.00 N ATOM 461 CD2 HIS A 26 -14.981 -0.542 1.854 1.00 0.00 C ATOM 462 CE1 HIS A 26 -13.180 -1.433 1.038 1.00 0.00 C ATOM 463 NE2 HIS A 26 -14.489 -1.649 1.173 1.00 0.00 N ATOM 0 H HIS A 26 -15.501 0.724 4.638 1.00 0.00 H new ATOM 0 HA HIS A 26 -12.559 0.995 4.353 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.889 2.147 2.738 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -13.195 2.317 2.322 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -16.013 -0.389 2.132 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.500 -2.113 0.546 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -15.018 -2.457 0.845 1.00 0.00 H new ATOM 472 N LYS A 27 -12.313 3.346 5.199 1.00 0.00 N ATOM 473 CA LYS A 27 -12.180 4.683 5.836 1.00 0.00 C ATOM 474 C LYS A 27 -11.633 5.660 4.792 1.00 0.00 C ATOM 475 O LYS A 27 -12.002 5.609 3.636 1.00 0.00 O ATOM 476 CB LYS A 27 -11.214 4.592 7.020 1.00 0.00 C ATOM 477 CG LYS A 27 -11.785 3.638 8.070 1.00 0.00 C ATOM 478 CD LYS A 27 -10.883 3.636 9.305 1.00 0.00 C ATOM 479 CE LYS A 27 -11.382 2.589 10.303 1.00 0.00 C ATOM 480 NZ LYS A 27 -11.962 3.274 11.493 1.00 0.00 N ATOM 0 H LYS A 27 -11.431 2.883 4.982 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.148 5.028 6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.240 4.238 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.061 5.580 7.455 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.794 3.945 8.345 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.859 2.631 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.855 3.417 9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.881 4.623 9.768 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.133 1.953 9.834 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.560 1.941 10.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.301 2.563 12.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.233 3.863 11.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.757 3.875 11.195 1.00 0.00 H new ATOM 494 N VAL A 28 -10.755 6.541 5.177 1.00 0.00 N ATOM 495 CA VAL A 28 -10.194 7.499 4.188 1.00 0.00 C ATOM 496 C VAL A 28 -9.496 6.715 3.075 1.00 0.00 C ATOM 497 O VAL A 28 -9.551 7.081 1.918 1.00 0.00 O ATOM 498 CB VAL A 28 -9.183 8.418 4.875 1.00 0.00 C ATOM 499 CG1 VAL A 28 -8.469 9.270 3.824 1.00 0.00 C ATOM 500 CG2 VAL A 28 -9.914 9.333 5.860 1.00 0.00 C ATOM 0 H VAL A 28 -10.403 6.639 6.129 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.998 8.103 3.768 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.451 7.815 5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.749 9.925 4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.948 8.620 3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.201 9.873 3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.194 9.989 6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.646 9.936 5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.423 8.728 6.610 1.00 0.00 H new ATOM 510 N GLY A 29 -8.842 5.639 3.421 1.00 0.00 N ATOM 511 CA GLY A 29 -8.137 4.826 2.388 1.00 0.00 C ATOM 512 C GLY A 29 -8.851 3.482 2.212 1.00 0.00 C ATOM 513 O GLY A 29 -9.593 3.046 3.068 1.00 0.00 O ATOM 0 H GLY A 29 -8.765 5.287 4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.116 5.364 1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.101 4.662 2.685 1.00 0.00 H new ATOM 517 N PRO A 30 -8.623 2.839 1.098 1.00 0.00 N ATOM 518 CA PRO A 30 -9.246 1.520 0.776 1.00 0.00 C ATOM 519 C PRO A 30 -8.871 0.428 1.781 1.00 0.00 C ATOM 520 O PRO A 30 -7.844 0.489 2.428 1.00 0.00 O ATOM 521 CB PRO A 30 -8.696 1.168 -0.612 1.00 0.00 C ATOM 522 CG PRO A 30 -7.509 2.050 -0.819 1.00 0.00 C ATOM 523 CD PRO A 30 -7.742 3.302 0.020 1.00 0.00 C ATOM 0 HA PRO A 30 -10.334 1.584 0.811 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.415 0.116 -0.665 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.447 1.337 -1.384 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.593 1.544 -0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.396 2.306 -1.873 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.806 3.702 0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.208 4.095 -0.565 1.00 0.00 H new ATOM 531 N ASN A 31 -9.694 -0.578 1.906 1.00 0.00 N ATOM 532 CA ASN A 31 -9.386 -1.683 2.855 1.00 0.00 C ATOM 533 C ASN A 31 -7.980 -2.209 2.562 1.00 0.00 C ATOM 534 O ASN A 31 -7.316 -2.742 3.426 1.00 0.00 O ATOM 535 CB ASN A 31 -10.407 -2.808 2.680 1.00 0.00 C ATOM 536 CG ASN A 31 -10.369 -3.726 3.901 1.00 0.00 C ATOM 537 OD1 ASN A 31 -11.216 -4.581 4.059 1.00 0.00 O ATOM 538 ND2 ASN A 31 -9.414 -3.583 4.779 1.00 0.00 N ATOM 0 H ASN A 31 -10.568 -0.681 1.390 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.435 -1.316 3.880 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.406 -2.390 2.557 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.186 -3.377 1.777 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.379 -4.190 5.598 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.702 -2.864 4.646 1.00 0.00 H new ATOM 545 N LEU A 32 -7.533 -2.052 1.343 1.00 0.00 N ATOM 546 CA LEU A 32 -6.169 -2.520 0.944 1.00 0.00 C ATOM 547 C LEU A 32 -6.158 -4.042 0.779 1.00 0.00 C ATOM 548 O LEU A 32 -5.115 -4.663 0.748 1.00 0.00 O ATOM 549 CB LEU A 32 -5.133 -2.090 2.001 1.00 0.00 C ATOM 550 CG LEU A 32 -3.716 -2.117 1.411 1.00 0.00 C ATOM 551 CD1 LEU A 32 -3.630 -1.184 0.207 1.00 0.00 C ATOM 552 CD2 LEU A 32 -2.720 -1.633 2.461 1.00 0.00 C ATOM 0 H LEU A 32 -8.065 -1.611 0.593 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.906 -2.065 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.365 -1.087 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.187 -2.756 2.863 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.485 -3.138 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.620 -1.211 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.340 -1.506 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.868 -0.167 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.713 -1.652 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.971 -0.615 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.764 -2.286 3.332 1.00 0.00 H new ATOM 564 N HIS A 33 -7.308 -4.644 0.648 1.00 0.00 N ATOM 565 CA HIS A 33 -7.358 -6.122 0.457 1.00 0.00 C ATOM 566 C HIS A 33 -7.660 -6.439 -1.009 1.00 0.00 C ATOM 567 O HIS A 33 -7.743 -7.588 -1.396 1.00 0.00 O ATOM 568 CB HIS A 33 -8.454 -6.725 1.338 1.00 0.00 C ATOM 569 CG HIS A 33 -7.950 -6.868 2.746 1.00 0.00 C ATOM 570 ND1 HIS A 33 -6.714 -7.431 3.038 1.00 0.00 N ATOM 571 CD2 HIS A 33 -8.506 -6.539 3.957 1.00 0.00 C ATOM 572 CE1 HIS A 33 -6.571 -7.424 4.376 1.00 0.00 C ATOM 573 NE2 HIS A 33 -7.634 -6.891 4.980 1.00 0.00 N ATOM 0 H HIS A 33 -8.215 -4.177 0.665 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.394 -6.549 0.735 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.339 -6.089 1.321 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.753 -7.698 0.948 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -6.038 -7.785 2.361 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.473 -6.077 4.094 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.704 -7.803 4.896 1.00 0.00 H new ATOM 582 N GLY A 34 -7.840 -5.434 -1.828 1.00 0.00 N ATOM 583 CA GLY A 34 -8.152 -5.698 -3.264 1.00 0.00 C ATOM 584 C GLY A 34 -7.358 -4.761 -4.182 1.00 0.00 C ATOM 585 O GLY A 34 -7.617 -4.688 -5.366 1.00 0.00 O ATOM 0 H GLY A 34 -7.785 -4.450 -1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.917 -6.735 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.220 -5.564 -3.438 1.00 0.00 H new ATOM 589 N ILE A 35 -6.390 -4.051 -3.668 1.00 0.00 N ATOM 590 CA ILE A 35 -5.602 -3.141 -4.555 1.00 0.00 C ATOM 591 C ILE A 35 -5.031 -3.947 -5.720 1.00 0.00 C ATOM 592 O ILE A 35 -4.830 -3.432 -6.802 1.00 0.00 O ATOM 593 CB ILE A 35 -4.456 -2.477 -3.753 1.00 0.00 C ATOM 594 CG1 ILE A 35 -4.984 -1.187 -3.080 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.265 -2.159 -4.682 1.00 0.00 C ATOM 596 CD1 ILE A 35 -3.826 -0.248 -2.724 1.00 0.00 C ATOM 0 H ILE A 35 -6.112 -4.059 -2.687 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.253 -2.357 -4.941 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.107 -3.164 -2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.678 -0.679 -3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.541 -1.443 -2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.467 -1.693 -4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.897 -3.082 -5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.589 -1.478 -5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.220 0.652 -2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.148 -0.752 -2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.286 0.024 -3.631 1.00 0.00 H new ATOM 608 N PHE A 36 -4.754 -5.200 -5.508 1.00 0.00 N ATOM 609 CA PHE A 36 -4.177 -6.027 -6.601 1.00 0.00 C ATOM 610 C PHE A 36 -5.298 -6.547 -7.502 1.00 0.00 C ATOM 611 O PHE A 36 -6.266 -7.117 -7.039 1.00 0.00 O ATOM 612 CB PHE A 36 -3.422 -7.198 -5.972 1.00 0.00 C ATOM 613 CG PHE A 36 -2.380 -6.646 -5.030 1.00 0.00 C ATOM 614 CD1 PHE A 36 -2.730 -6.319 -3.712 1.00 0.00 C ATOM 615 CD2 PHE A 36 -1.071 -6.444 -5.475 1.00 0.00 C ATOM 616 CE1 PHE A 36 -1.770 -5.790 -2.844 1.00 0.00 C ATOM 617 CE2 PHE A 36 -0.108 -5.917 -4.605 1.00 0.00 C ATOM 618 CZ PHE A 36 -0.459 -5.589 -3.290 1.00 0.00 C ATOM 0 H PHE A 36 -4.902 -5.688 -4.625 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.496 -5.429 -7.207 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.112 -7.848 -5.434 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.950 -7.804 -6.746 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.741 -6.476 -3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.802 -6.694 -6.490 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.040 -5.537 -1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.904 -5.764 -4.948 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.283 -5.181 -2.619 1.00 0.00 H new ATOM 628 N GLY A 37 -5.177 -6.347 -8.789 1.00 0.00 N ATOM 629 CA GLY A 37 -6.238 -6.823 -9.720 1.00 0.00 C ATOM 630 C GLY A 37 -5.791 -6.556 -11.155 1.00 0.00 C ATOM 631 O GLY A 37 -4.652 -6.224 -11.400 1.00 0.00 O ATOM 0 H GLY A 37 -4.389 -5.875 -9.233 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.419 -7.888 -9.573 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.177 -6.309 -9.516 1.00 0.00 H new ATOM 635 N ARG A 38 -6.672 -6.702 -12.104 1.00 0.00 N ATOM 636 CA ARG A 38 -6.283 -6.454 -13.521 1.00 0.00 C ATOM 637 C ARG A 38 -5.927 -4.976 -13.720 1.00 0.00 C ATOM 638 O ARG A 38 -4.977 -4.651 -14.401 1.00 0.00 O ATOM 639 CB ARG A 38 -7.442 -6.827 -14.450 1.00 0.00 C ATOM 640 CG ARG A 38 -8.758 -6.274 -13.892 1.00 0.00 C ATOM 641 CD ARG A 38 -9.428 -5.386 -14.943 1.00 0.00 C ATOM 642 NE ARG A 38 -10.835 -5.112 -14.535 1.00 0.00 N ATOM 643 CZ ARG A 38 -11.722 -4.779 -15.433 1.00 0.00 C ATOM 644 NH1 ARG A 38 -11.375 -4.684 -16.688 1.00 0.00 N ATOM 645 NH2 ARG A 38 -12.953 -4.540 -15.076 1.00 0.00 N ATOM 0 H ARG A 38 -7.642 -6.982 -11.961 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.414 -7.067 -13.758 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.263 -6.426 -15.448 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.506 -7.911 -14.549 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.422 -7.094 -13.618 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.568 -5.701 -12.985 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.879 -4.450 -15.048 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.409 -5.877 -15.916 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.105 -5.185 -13.554 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.411 -4.870 -16.966 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.067 -4.424 -17.390 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.223 -4.613 -14.095 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.646 -4.280 -15.778 1.00 0.00 H new ATOM 659 N HIS A 39 -6.685 -4.080 -13.140 1.00 0.00 N ATOM 660 CA HIS A 39 -6.390 -2.624 -13.309 1.00 0.00 C ATOM 661 C HIS A 39 -6.409 -1.921 -11.952 1.00 0.00 C ATOM 662 O HIS A 39 -6.764 -2.497 -10.943 1.00 0.00 O ATOM 663 CB HIS A 39 -7.446 -1.983 -14.216 1.00 0.00 C ATOM 664 CG HIS A 39 -7.330 -2.534 -15.613 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.430 -2.657 -16.452 1.00 0.00 N ATOM 666 CD2 HIS A 39 -6.256 -2.994 -16.335 1.00 0.00 C ATOM 667 CE1 HIS A 39 -7.997 -3.170 -17.618 1.00 0.00 C ATOM 668 NE2 HIS A 39 -6.682 -3.392 -17.597 1.00 0.00 N ATOM 0 H HIS A 39 -7.495 -4.293 -12.557 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.403 -2.519 -13.758 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.443 -2.178 -13.821 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.315 -0.901 -14.231 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.238 -3.039 -15.978 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.634 -3.376 -18.465 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.109 -3.774 -18.349 1.00 0.00 H new ATOM 677 N SER A 40 -6.021 -0.674 -11.925 1.00 0.00 N ATOM 678 CA SER A 40 -6.005 0.082 -10.645 1.00 0.00 C ATOM 679 C SER A 40 -7.432 0.271 -10.133 1.00 0.00 C ATOM 680 O SER A 40 -8.393 0.090 -10.854 1.00 0.00 O ATOM 681 CB SER A 40 -5.375 1.454 -10.872 1.00 0.00 C ATOM 682 OG SER A 40 -6.318 2.295 -11.522 1.00 0.00 O ATOM 0 H SER A 40 -5.713 -0.146 -12.741 1.00 0.00 H new ATOM 0 HA SER A 40 -5.426 -0.477 -9.911 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.073 1.892 -9.920 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.474 1.359 -11.479 1.00 0.00 H new ATOM 0 HG SER A 40 -5.877 3.123 -11.806 1.00 0.00 H new ATOM 688 N GLY A 41 -7.572 0.642 -8.891 1.00 0.00 N ATOM 689 CA GLY A 41 -8.929 0.855 -8.320 1.00 0.00 C ATOM 690 C GLY A 41 -9.765 -0.414 -8.487 1.00 0.00 C ATOM 691 O GLY A 41 -10.311 -0.673 -9.542 1.00 0.00 O ATOM 0 H GLY A 41 -6.800 0.807 -8.245 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.853 1.115 -7.264 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.417 1.692 -8.820 1.00 0.00 H new ATOM 695 N GLN A 42 -9.868 -1.210 -7.455 1.00 0.00 N ATOM 696 CA GLN A 42 -10.668 -2.469 -7.561 1.00 0.00 C ATOM 697 C GLN A 42 -11.533 -2.652 -6.311 1.00 0.00 C ATOM 698 O GLN A 42 -12.282 -3.603 -6.202 1.00 0.00 O ATOM 699 CB GLN A 42 -9.720 -3.664 -7.691 1.00 0.00 C ATOM 700 CG GLN A 42 -8.855 -3.509 -8.943 1.00 0.00 C ATOM 701 CD GLN A 42 -7.398 -3.291 -8.531 1.00 0.00 C ATOM 702 OE1 GLN A 42 -6.723 -4.217 -8.128 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.884 -2.094 -8.609 1.00 0.00 N ATOM 0 H GLN A 42 -9.435 -1.045 -6.546 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.312 -2.405 -8.438 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.086 -3.734 -6.807 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.293 -4.590 -7.747 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.938 -4.398 -9.568 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.206 -2.666 -9.539 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.451 -1.317 -8.947 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.915 -1.936 -8.332 1.00 0.00 H new ATOM 712 N ALA A 43 -11.432 -1.763 -5.362 1.00 0.00 N ATOM 713 CA ALA A 43 -12.247 -1.910 -4.121 1.00 0.00 C ATOM 714 C ALA A 43 -13.733 -1.762 -4.454 1.00 0.00 C ATOM 715 O ALA A 43 -14.162 -0.764 -4.998 1.00 0.00 O ATOM 716 CB ALA A 43 -11.840 -0.830 -3.116 1.00 0.00 C ATOM 0 H ALA A 43 -10.824 -0.945 -5.390 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.073 -2.896 -3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.434 -0.935 -2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.783 -0.939 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.012 0.155 -3.550 1.00 0.00 H new ATOM 722 N GLU A 44 -14.524 -2.751 -4.127 1.00 0.00 N ATOM 723 CA GLU A 44 -15.984 -2.671 -4.419 1.00 0.00 C ATOM 724 C GLU A 44 -16.624 -1.589 -3.545 1.00 0.00 C ATOM 725 O GLU A 44 -17.529 -0.895 -3.964 1.00 0.00 O ATOM 726 CB GLU A 44 -16.638 -4.022 -4.118 1.00 0.00 C ATOM 727 CG GLU A 44 -16.088 -5.080 -5.076 1.00 0.00 C ATOM 728 CD GLU A 44 -16.791 -6.414 -4.820 1.00 0.00 C ATOM 729 OE1 GLU A 44 -17.515 -6.503 -3.843 1.00 0.00 O ATOM 730 OE2 GLU A 44 -16.595 -7.325 -5.609 1.00 0.00 O ATOM 0 H GLU A 44 -14.220 -3.611 -3.670 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.130 -2.421 -5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.440 -4.312 -3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.720 -3.946 -4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.243 -4.767 -6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.013 -5.190 -4.935 1.00 0.00 H new ATOM 737 N GLY A 45 -16.160 -1.442 -2.334 1.00 0.00 N ATOM 738 CA GLY A 45 -16.740 -0.405 -1.433 1.00 0.00 C ATOM 739 C GLY A 45 -15.974 0.904 -1.612 1.00 0.00 C ATOM 740 O GLY A 45 -16.490 1.872 -2.134 1.00 0.00 O ATOM 0 H GLY A 45 -15.404 -1.995 -1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.795 -0.257 -1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.682 -0.735 -0.396 1.00 0.00 H new ATOM 744 N TYR A 46 -14.741 0.939 -1.191 1.00 0.00 N ATOM 745 CA TYR A 46 -13.936 2.182 -1.346 1.00 0.00 C ATOM 746 C TYR A 46 -13.881 2.570 -2.825 1.00 0.00 C ATOM 747 O TYR A 46 -13.891 1.724 -3.697 1.00 0.00 O ATOM 748 CB TYR A 46 -12.518 1.941 -0.828 1.00 0.00 C ATOM 749 CG TYR A 46 -11.676 3.159 -1.103 1.00 0.00 C ATOM 750 CD1 TYR A 46 -11.652 4.224 -0.196 1.00 0.00 C ATOM 751 CD2 TYR A 46 -10.918 3.218 -2.274 1.00 0.00 C ATOM 752 CE1 TYR A 46 -10.866 5.350 -0.466 1.00 0.00 C ATOM 753 CE2 TYR A 46 -10.134 4.339 -2.548 1.00 0.00 C ATOM 754 CZ TYR A 46 -10.107 5.410 -1.643 1.00 0.00 C ATOM 755 OH TYR A 46 -9.334 6.521 -1.910 1.00 0.00 O ATOM 0 H TYR A 46 -14.256 0.160 -0.746 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.397 2.988 -0.775 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.539 1.733 0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -12.084 1.067 -1.314 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -12.238 4.177 0.710 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -10.939 2.393 -2.970 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.844 6.173 0.233 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.549 4.382 -3.455 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.884 6.407 -2.773 1.00 0.00 H new ATOM 765 N SER A 47 -13.830 3.844 -3.112 1.00 0.00 N ATOM 766 CA SER A 47 -13.782 4.293 -4.532 1.00 0.00 C ATOM 767 C SER A 47 -12.495 5.085 -4.779 1.00 0.00 C ATOM 768 O SER A 47 -12.008 5.784 -3.912 1.00 0.00 O ATOM 769 CB SER A 47 -14.988 5.184 -4.825 1.00 0.00 C ATOM 770 OG SER A 47 -15.003 5.516 -6.207 1.00 0.00 O ATOM 0 H SER A 47 -13.820 4.594 -2.421 1.00 0.00 H new ATOM 0 HA SER A 47 -13.803 3.421 -5.186 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.909 4.669 -4.553 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.940 6.091 -4.222 1.00 0.00 H new ATOM 0 HG SER A 47 -15.777 6.086 -6.398 1.00 0.00 H new ATOM 776 N TYR A 48 -11.944 4.982 -5.957 1.00 0.00 N ATOM 777 CA TYR A 48 -10.691 5.729 -6.269 1.00 0.00 C ATOM 778 C TYR A 48 -11.019 6.892 -7.200 1.00 0.00 C ATOM 779 O TYR A 48 -12.028 6.893 -7.877 1.00 0.00 O ATOM 780 CB TYR A 48 -9.693 4.804 -6.967 1.00 0.00 C ATOM 781 CG TYR A 48 -9.431 3.597 -6.104 1.00 0.00 C ATOM 782 CD1 TYR A 48 -10.406 2.602 -5.982 1.00 0.00 C ATOM 783 CD2 TYR A 48 -8.213 3.472 -5.426 1.00 0.00 C ATOM 784 CE1 TYR A 48 -10.163 1.481 -5.181 1.00 0.00 C ATOM 785 CE2 TYR A 48 -7.969 2.351 -4.625 1.00 0.00 C ATOM 786 CZ TYR A 48 -8.944 1.355 -4.503 1.00 0.00 C ATOM 787 OH TYR A 48 -8.706 0.248 -3.714 1.00 0.00 O ATOM 0 H TYR A 48 -12.308 4.411 -6.720 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.256 6.100 -5.341 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.086 4.493 -7.935 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.761 5.336 -7.158 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.346 2.699 -6.506 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.461 4.241 -5.521 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.916 0.712 -5.085 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.029 2.255 -4.102 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.813 0.316 -3.316 1.00 0.00 H new ATOM 797 N THR A 49 -10.174 7.880 -7.245 1.00 0.00 N ATOM 798 CA THR A 49 -10.439 9.039 -8.139 1.00 0.00 C ATOM 799 C THR A 49 -10.221 8.602 -9.586 1.00 0.00 C ATOM 800 O THR A 49 -9.562 7.618 -9.852 1.00 0.00 O ATOM 801 CB THR A 49 -9.473 10.178 -7.812 1.00 0.00 C ATOM 802 OG1 THR A 49 -8.450 10.218 -8.797 1.00 0.00 O ATOM 803 CG2 THR A 49 -8.845 9.941 -6.439 1.00 0.00 C ATOM 0 H THR A 49 -9.312 7.936 -6.703 1.00 0.00 H new ATOM 0 HA THR A 49 -11.463 9.383 -7.996 1.00 0.00 H new ATOM 0 HB THR A 49 -10.015 11.124 -7.802 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.247 11.150 -9.021 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.157 10.754 -6.208 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.629 9.903 -5.682 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.301 8.996 -6.446 1.00 0.00 H new ATOM 811 N ASP A 50 -10.762 9.326 -10.522 1.00 0.00 N ATOM 812 CA ASP A 50 -10.571 8.947 -11.946 1.00 0.00 C ATOM 813 C ASP A 50 -9.075 8.861 -12.245 1.00 0.00 C ATOM 814 O ASP A 50 -8.635 8.060 -13.042 1.00 0.00 O ATOM 815 CB ASP A 50 -11.214 10.004 -12.847 1.00 0.00 C ATOM 816 CG ASP A 50 -12.734 9.966 -12.675 1.00 0.00 C ATOM 817 OD1 ASP A 50 -13.219 9.019 -12.077 1.00 0.00 O ATOM 818 OD2 ASP A 50 -13.386 10.886 -13.142 1.00 0.00 O ATOM 0 H ASP A 50 -11.326 10.161 -10.364 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.039 7.981 -12.135 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.833 10.993 -12.593 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.951 9.818 -13.888 1.00 0.00 H new ATOM 823 N ALA A 51 -8.289 9.686 -11.613 1.00 0.00 N ATOM 824 CA ALA A 51 -6.820 9.663 -11.869 1.00 0.00 C ATOM 825 C ALA A 51 -6.290 8.228 -11.785 1.00 0.00 C ATOM 826 O ALA A 51 -5.672 7.736 -12.707 1.00 0.00 O ATOM 827 CB ALA A 51 -6.114 10.531 -10.825 1.00 0.00 C ATOM 0 H ALA A 51 -8.599 10.376 -10.929 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.625 10.052 -12.868 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.039 10.518 -11.007 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.481 11.555 -10.895 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.318 10.139 -9.828 1.00 0.00 H new ATOM 833 N ASN A 52 -6.522 7.551 -10.694 1.00 0.00 N ATOM 834 CA ASN A 52 -6.021 6.149 -10.575 1.00 0.00 C ATOM 835 C ASN A 52 -6.654 5.270 -11.661 1.00 0.00 C ATOM 836 O ASN A 52 -6.000 4.442 -12.261 1.00 0.00 O ATOM 837 CB ASN A 52 -6.380 5.595 -9.193 1.00 0.00 C ATOM 838 CG ASN A 52 -5.720 4.227 -9.001 1.00 0.00 C ATOM 839 OD1 ASN A 52 -4.575 4.039 -9.357 1.00 0.00 O ATOM 840 ND2 ASN A 52 -6.401 3.259 -8.445 1.00 0.00 N ATOM 0 H ASN A 52 -7.033 7.903 -9.884 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.938 6.145 -10.701 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.046 6.283 -8.416 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.462 5.505 -9.096 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.970 2.344 -8.310 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.363 3.419 -8.146 1.00 0.00 H new ATOM 847 N ILE A 53 -7.926 5.435 -11.902 1.00 0.00 N ATOM 848 CA ILE A 53 -8.618 4.599 -12.931 1.00 0.00 C ATOM 849 C ILE A 53 -8.122 4.924 -14.348 1.00 0.00 C ATOM 850 O ILE A 53 -7.890 4.038 -15.145 1.00 0.00 O ATOM 851 CB ILE A 53 -10.123 4.859 -12.856 1.00 0.00 C ATOM 852 CG1 ILE A 53 -10.630 4.516 -11.453 1.00 0.00 C ATOM 853 CG2 ILE A 53 -10.844 3.984 -13.884 1.00 0.00 C ATOM 854 CD1 ILE A 53 -12.107 4.898 -11.336 1.00 0.00 C ATOM 0 H ILE A 53 -8.521 6.116 -11.429 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.397 3.552 -12.725 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.321 5.910 -13.069 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.502 3.451 -11.259 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.045 5.049 -10.703 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -11.917 4.169 -13.831 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.483 4.225 -14.884 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.646 2.934 -13.670 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.468 4.654 -10.337 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.221 5.968 -11.512 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.686 4.345 -12.076 1.00 0.00 H new ATOM 866 N LYS A 54 -7.980 6.179 -14.677 1.00 0.00 N ATOM 867 CA LYS A 54 -7.525 6.543 -16.051 1.00 0.00 C ATOM 868 C LYS A 54 -6.170 5.908 -16.359 1.00 0.00 C ATOM 869 O LYS A 54 -5.897 5.526 -17.480 1.00 0.00 O ATOM 870 CB LYS A 54 -7.414 8.064 -16.162 1.00 0.00 C ATOM 871 CG LYS A 54 -8.811 8.684 -16.134 1.00 0.00 C ATOM 872 CD LYS A 54 -8.704 10.194 -16.356 1.00 0.00 C ATOM 873 CE LYS A 54 -10.089 10.831 -16.226 1.00 0.00 C ATOM 874 NZ LYS A 54 -10.132 11.685 -15.006 1.00 0.00 N ATOM 0 H LYS A 54 -8.159 6.968 -14.055 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.254 6.170 -16.771 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.815 8.456 -15.340 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.903 8.335 -17.086 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.435 8.235 -16.907 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.292 8.480 -15.178 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.022 10.631 -15.627 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.290 10.398 -17.343 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.310 11.430 -17.110 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.853 10.056 -16.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.110 11.743 -14.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.526 11.269 -14.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.790 12.639 -15.238 1.00 0.00 H new ATOM 888 N LYS A 55 -5.315 5.797 -15.386 1.00 0.00 N ATOM 889 CA LYS A 55 -3.979 5.192 -15.647 1.00 0.00 C ATOM 890 C LYS A 55 -4.161 3.771 -16.186 1.00 0.00 C ATOM 891 O LYS A 55 -3.410 3.315 -17.024 1.00 0.00 O ATOM 892 CB LYS A 55 -3.170 5.150 -14.347 1.00 0.00 C ATOM 893 CG LYS A 55 -1.744 4.661 -14.631 1.00 0.00 C ATOM 894 CD LYS A 55 -0.888 5.815 -15.164 1.00 0.00 C ATOM 895 CE LYS A 55 0.562 5.351 -15.307 1.00 0.00 C ATOM 896 NZ LYS A 55 0.921 5.280 -16.751 1.00 0.00 N ATOM 0 H LYS A 55 -5.480 6.097 -14.425 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.445 5.794 -16.382 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.140 6.142 -13.896 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.654 4.488 -13.629 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.301 4.260 -13.720 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.768 3.849 -15.358 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.270 6.150 -16.128 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.943 6.666 -14.486 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.228 6.041 -14.789 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.690 4.374 -14.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.907 4.964 -16.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.292 4.605 -17.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.814 6.221 -17.182 1.00 0.00 H new ATOM 910 N ASN A 56 -5.151 3.069 -15.710 1.00 0.00 N ATOM 911 CA ASN A 56 -5.377 1.678 -16.194 1.00 0.00 C ATOM 912 C ASN A 56 -4.136 0.830 -15.916 1.00 0.00 C ATOM 913 O ASN A 56 -3.624 0.162 -16.793 1.00 0.00 O ATOM 914 CB ASN A 56 -5.649 1.690 -17.699 1.00 0.00 C ATOM 915 CG ASN A 56 -6.255 0.347 -18.112 1.00 0.00 C ATOM 916 OD1 ASN A 56 -7.461 0.202 -18.168 1.00 0.00 O ATOM 917 ND2 ASN A 56 -5.465 -0.654 -18.393 1.00 0.00 N ATOM 0 H ASN A 56 -5.813 3.398 -15.007 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.236 1.255 -15.672 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.330 2.503 -17.951 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.724 1.869 -18.246 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.860 -1.556 -18.659 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.453 -0.534 -18.346 1.00 0.00 H new ATOM 924 N VAL A 57 -3.650 0.852 -14.705 1.00 0.00 N ATOM 925 CA VAL A 57 -2.443 0.049 -14.365 1.00 0.00 C ATOM 926 C VAL A 57 -2.767 -0.875 -13.193 1.00 0.00 C ATOM 927 O VAL A 57 -3.464 -0.503 -12.273 1.00 0.00 O ATOM 928 CB VAL A 57 -1.299 0.989 -13.971 1.00 0.00 C ATOM 929 CG1 VAL A 57 -1.682 1.774 -12.713 1.00 0.00 C ATOM 930 CG2 VAL A 57 -0.039 0.170 -13.690 1.00 0.00 C ATOM 0 H VAL A 57 -4.039 1.394 -13.934 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.144 -0.545 -15.228 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.110 1.685 -14.789 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.865 2.441 -12.437 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.579 2.361 -12.910 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.875 1.079 -11.895 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.775 0.839 -13.410 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.233 -0.527 -12.875 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.240 -0.386 -14.585 1.00 0.00 H new ATOM 940 N LEU A 58 -2.266 -2.077 -13.208 1.00 0.00 N ATOM 941 CA LEU A 58 -2.556 -3.000 -12.080 1.00 0.00 C ATOM 942 C LEU A 58 -1.547 -2.757 -10.970 1.00 0.00 C ATOM 943 O LEU A 58 -0.371 -2.585 -11.215 1.00 0.00 O ATOM 944 CB LEU A 58 -2.460 -4.461 -12.526 1.00 0.00 C ATOM 945 CG LEU A 58 -1.651 -4.578 -13.813 1.00 0.00 C ATOM 946 CD1 LEU A 58 -0.204 -4.153 -13.553 1.00 0.00 C ATOM 947 CD2 LEU A 58 -1.675 -6.031 -14.289 1.00 0.00 C ATOM 0 H LEU A 58 -1.673 -2.457 -13.946 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.570 -2.809 -11.728 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.993 -5.056 -11.741 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.460 -4.866 -12.681 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.084 -3.931 -14.576 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.371 -4.238 -14.475 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.185 -3.120 -13.207 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.234 -4.799 -12.792 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.098 -6.122 -15.209 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.239 -6.672 -13.523 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.705 -6.336 -14.475 1.00 0.00 H new ATOM 959 N TRP A 59 -1.992 -2.745 -9.751 1.00 0.00 N ATOM 960 CA TRP A 59 -1.054 -2.520 -8.625 1.00 0.00 C ATOM 961 C TRP A 59 -0.314 -3.824 -8.321 1.00 0.00 C ATOM 962 O TRP A 59 -0.875 -4.899 -8.398 1.00 0.00 O ATOM 963 CB TRP A 59 -1.845 -2.055 -7.404 1.00 0.00 C ATOM 964 CG TRP A 59 -2.200 -0.614 -7.571 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.435 -0.145 -7.845 1.00 0.00 C ATOM 966 CD2 TRP A 59 -1.329 0.546 -7.481 1.00 0.00 C ATOM 967 NE1 TRP A 59 -3.382 1.240 -7.924 1.00 0.00 N ATOM 968 CE2 TRP A 59 -2.101 1.711 -7.705 1.00 0.00 C ATOM 969 CE3 TRP A 59 0.042 0.697 -7.226 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.527 2.981 -7.675 1.00 0.00 C ATOM 971 CZ3 TRP A 59 0.625 1.971 -7.194 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.158 3.113 -7.418 1.00 0.00 C ATOM 0 H TRP A 59 -2.967 -2.882 -9.485 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.324 -1.754 -8.886 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.749 -2.654 -7.291 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.255 -2.194 -6.498 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.320 -0.749 -7.981 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.187 1.835 -8.119 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.654 -0.176 -7.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.135 3.857 -7.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.682 2.074 -6.996 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.295 4.093 -7.392 1.00 0.00 H new ATOM 983 N ASP A 60 0.944 -3.738 -7.989 1.00 0.00 N ATOM 984 CA ASP A 60 1.724 -4.972 -7.696 1.00 0.00 C ATOM 985 C ASP A 60 2.877 -4.635 -6.759 1.00 0.00 C ATOM 986 O ASP A 60 3.040 -3.512 -6.332 1.00 0.00 O ATOM 987 CB ASP A 60 2.286 -5.552 -8.994 1.00 0.00 C ATOM 988 CG ASP A 60 2.888 -6.931 -8.721 1.00 0.00 C ATOM 989 OD1 ASP A 60 2.580 -7.494 -7.684 1.00 0.00 O ATOM 990 OD2 ASP A 60 3.646 -7.400 -9.554 1.00 0.00 O ATOM 0 H ASP A 60 1.466 -2.865 -7.908 1.00 0.00 H new ATOM 0 HA ASP A 60 1.068 -5.704 -7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.496 -5.630 -9.741 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.046 -4.886 -9.402 1.00 0.00 H new ATOM 995 N GLU A 61 3.676 -5.606 -6.436 1.00 0.00 N ATOM 996 CA GLU A 61 4.820 -5.348 -5.518 1.00 0.00 C ATOM 997 C GLU A 61 5.764 -4.327 -6.154 1.00 0.00 C ATOM 998 O GLU A 61 6.289 -3.456 -5.489 1.00 0.00 O ATOM 999 CB GLU A 61 5.573 -6.655 -5.268 1.00 0.00 C ATOM 1000 CG GLU A 61 4.657 -7.642 -4.542 1.00 0.00 C ATOM 1001 CD GLU A 61 5.427 -8.929 -4.242 1.00 0.00 C ATOM 1002 OE1 GLU A 61 6.532 -9.066 -4.740 1.00 0.00 O ATOM 1003 OE2 GLU A 61 4.899 -9.757 -3.518 1.00 0.00 O ATOM 0 H GLU A 61 3.590 -6.567 -6.766 1.00 0.00 H new ATOM 0 HA GLU A 61 4.448 -4.956 -4.572 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.907 -7.081 -6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.465 -6.464 -4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.291 -7.200 -3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.784 -7.863 -5.156 1.00 0.00 H new ATOM 1010 N ASN A 62 5.983 -4.423 -7.435 1.00 0.00 N ATOM 1011 CA ASN A 62 6.892 -3.455 -8.111 1.00 0.00 C ATOM 1012 C ASN A 62 6.241 -2.070 -8.149 1.00 0.00 C ATOM 1013 O ASN A 62 6.875 -1.065 -7.889 1.00 0.00 O ATOM 1014 CB ASN A 62 7.163 -3.925 -9.541 1.00 0.00 C ATOM 1015 CG ASN A 62 7.950 -5.236 -9.507 1.00 0.00 C ATOM 1016 OD1 ASN A 62 8.528 -5.586 -8.497 1.00 0.00 O ATOM 1017 ND2 ASN A 62 7.996 -5.983 -10.576 1.00 0.00 N ATOM 0 H ASN A 62 5.572 -5.130 -8.044 1.00 0.00 H new ATOM 0 HA ASN A 62 7.830 -3.398 -7.558 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.222 -4.067 -10.073 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.725 -3.165 -10.084 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.517 -6.860 -10.563 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.511 -5.690 -11.424 1.00 0.00 H new ATOM 1024 N ASN A 63 4.982 -2.010 -8.477 1.00 0.00 N ATOM 1025 CA ASN A 63 4.287 -0.693 -8.540 1.00 0.00 C ATOM 1026 C ASN A 63 4.318 -0.029 -7.163 1.00 0.00 C ATOM 1027 O ASN A 63 4.442 1.174 -7.046 1.00 0.00 O ATOM 1028 CB ASN A 63 2.834 -0.898 -8.969 1.00 0.00 C ATOM 1029 CG ASN A 63 2.791 -1.612 -10.323 1.00 0.00 C ATOM 1030 OD1 ASN A 63 3.611 -1.358 -11.182 1.00 0.00 O ATOM 1031 ND2 ASN A 63 1.860 -2.499 -10.550 1.00 0.00 N ATOM 0 H ASN A 63 4.402 -2.817 -8.705 1.00 0.00 H new ATOM 0 HA ASN A 63 4.794 -0.055 -9.264 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.303 -1.486 -8.220 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.326 0.064 -9.038 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.821 -2.979 -11.449 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.172 -2.712 -9.828 1.00 0.00 H new ATOM 1038 N MET A 64 4.204 -0.802 -6.116 1.00 0.00 N ATOM 1039 CA MET A 64 4.224 -0.207 -4.750 1.00 0.00 C ATOM 1040 C MET A 64 5.532 0.559 -4.559 1.00 0.00 C ATOM 1041 O MET A 64 5.559 1.621 -3.968 1.00 0.00 O ATOM 1042 CB MET A 64 4.138 -1.317 -3.696 1.00 0.00 C ATOM 1043 CG MET A 64 2.735 -1.943 -3.668 1.00 0.00 C ATOM 1044 SD MET A 64 1.818 -1.511 -5.166 1.00 0.00 S ATOM 1045 CE MET A 64 0.358 -0.827 -4.348 1.00 0.00 C ATOM 0 H MET A 64 4.098 -1.816 -6.148 1.00 0.00 H new ATOM 0 HA MET A 64 3.374 0.465 -4.637 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.879 -2.087 -3.912 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.378 -0.910 -2.714 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.816 -3.027 -3.584 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.192 -1.594 -2.789 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.521 -0.999 -4.969 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.220 -1.314 -3.382 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.493 0.244 -4.198 1.00 0.00 H new ATOM 1055 N SER A 65 6.617 0.037 -5.062 1.00 0.00 N ATOM 1056 CA SER A 65 7.915 0.748 -4.911 1.00 0.00 C ATOM 1057 C SER A 65 7.837 2.080 -5.655 1.00 0.00 C ATOM 1058 O SER A 65 8.419 3.066 -5.249 1.00 0.00 O ATOM 1059 CB SER A 65 9.039 -0.104 -5.502 1.00 0.00 C ATOM 1060 OG SER A 65 8.879 -0.179 -6.913 1.00 0.00 O ATOM 0 H SER A 65 6.660 -0.847 -5.569 1.00 0.00 H new ATOM 0 HA SER A 65 8.119 0.925 -3.855 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.008 0.331 -5.257 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.019 -1.104 -5.068 1.00 0.00 H new ATOM 0 HG SER A 65 8.109 -0.747 -7.125 1.00 0.00 H new ATOM 1066 N GLU A 66 7.112 2.116 -6.739 1.00 0.00 N ATOM 1067 CA GLU A 66 6.986 3.384 -7.509 1.00 0.00 C ATOM 1068 C GLU A 66 6.266 4.427 -6.653 1.00 0.00 C ATOM 1069 O GLU A 66 6.587 5.598 -6.684 1.00 0.00 O ATOM 1070 CB GLU A 66 6.183 3.128 -8.786 1.00 0.00 C ATOM 1071 CG GLU A 66 6.172 4.392 -9.646 1.00 0.00 C ATOM 1072 CD GLU A 66 5.286 4.170 -10.873 1.00 0.00 C ATOM 1073 OE1 GLU A 66 4.721 3.094 -10.983 1.00 0.00 O ATOM 1074 OE2 GLU A 66 5.191 5.076 -11.682 1.00 0.00 O ATOM 0 H GLU A 66 6.601 1.321 -7.124 1.00 0.00 H new ATOM 0 HA GLU A 66 7.978 3.751 -7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.621 2.300 -9.344 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.163 2.838 -8.534 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.801 5.236 -9.065 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.186 4.641 -9.958 1.00 0.00 H new ATOM 1081 N TYR A 67 5.292 4.010 -5.891 1.00 0.00 N ATOM 1082 CA TYR A 67 4.550 4.978 -5.035 1.00 0.00 C ATOM 1083 C TYR A 67 5.500 5.561 -3.988 1.00 0.00 C ATOM 1084 O TYR A 67 5.689 6.757 -3.897 1.00 0.00 O ATOM 1085 CB TYR A 67 3.407 4.248 -4.320 1.00 0.00 C ATOM 1086 CG TYR A 67 2.533 5.236 -3.574 1.00 0.00 C ATOM 1087 CD1 TYR A 67 2.995 5.843 -2.397 1.00 0.00 C ATOM 1088 CD2 TYR A 67 1.254 5.540 -4.057 1.00 0.00 C ATOM 1089 CE1 TYR A 67 2.182 6.749 -1.710 1.00 0.00 C ATOM 1090 CE2 TYR A 67 0.440 6.446 -3.364 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.906 7.052 -2.194 1.00 0.00 C ATOM 1092 OH TYR A 67 0.103 7.944 -1.513 1.00 0.00 O ATOM 0 H TYR A 67 4.978 3.042 -5.824 1.00 0.00 H new ATOM 0 HA TYR A 67 4.148 5.779 -5.655 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.808 3.699 -5.046 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.815 3.515 -3.623 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.980 5.610 -2.021 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.895 5.076 -4.964 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.540 7.216 -0.804 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.548 6.676 -3.734 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.750 8.042 -1.985 1.00 0.00 H new ATOM 1102 N LEU A 68 6.095 4.720 -3.189 1.00 0.00 N ATOM 1103 CA LEU A 68 7.022 5.219 -2.140 1.00 0.00 C ATOM 1104 C LEU A 68 8.160 6.003 -2.789 1.00 0.00 C ATOM 1105 O LEU A 68 8.551 7.054 -2.320 1.00 0.00 O ATOM 1106 CB LEU A 68 7.588 4.026 -1.371 1.00 0.00 C ATOM 1107 CG LEU A 68 6.445 3.268 -0.687 1.00 0.00 C ATOM 1108 CD1 LEU A 68 7.005 2.065 0.071 1.00 0.00 C ATOM 1109 CD2 LEU A 68 5.734 4.191 0.303 1.00 0.00 C ATOM 0 H LEU A 68 5.978 3.707 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 68 6.486 5.876 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.123 3.363 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.308 4.368 -0.627 1.00 0.00 H new ATOM 0 HG LEU A 68 5.740 2.929 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.189 1.529 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.513 1.399 -0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.713 2.408 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.922 3.649 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.444 4.531 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.329 5.052 -0.229 1.00 0.00 H new ATOM 1121 N THR A 69 8.691 5.503 -3.864 1.00 0.00 N ATOM 1122 CA THR A 69 9.801 6.223 -4.545 1.00 0.00 C ATOM 1123 C THR A 69 9.254 7.479 -5.229 1.00 0.00 C ATOM 1124 O THR A 69 9.888 8.516 -5.237 1.00 0.00 O ATOM 1125 CB THR A 69 10.439 5.309 -5.595 1.00 0.00 C ATOM 1126 OG1 THR A 69 9.486 5.015 -6.607 1.00 0.00 O ATOM 1127 CG2 THR A 69 10.901 4.009 -4.933 1.00 0.00 C ATOM 0 H THR A 69 8.406 4.627 -4.302 1.00 0.00 H new ATOM 0 HA THR A 69 10.551 6.508 -3.807 1.00 0.00 H new ATOM 0 HB THR A 69 11.298 5.812 -6.039 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.924 4.265 -6.319 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.355 3.360 -5.682 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.633 4.236 -4.158 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.045 3.504 -4.486 1.00 0.00 H new ATOM 1135 N ASN A 70 8.084 7.397 -5.806 1.00 0.00 N ATOM 1136 CA ASN A 70 7.510 8.593 -6.487 1.00 0.00 C ATOM 1137 C ASN A 70 5.979 8.528 -6.475 1.00 0.00 C ATOM 1138 O ASN A 70 5.377 7.786 -7.226 1.00 0.00 O ATOM 1139 CB ASN A 70 8.004 8.636 -7.934 1.00 0.00 C ATOM 1140 CG ASN A 70 7.723 10.018 -8.530 1.00 0.00 C ATOM 1141 OD1 ASN A 70 7.494 10.968 -7.809 1.00 0.00 O ATOM 1142 ND2 ASN A 70 7.730 10.169 -9.826 1.00 0.00 N ATOM 0 H ASN A 70 7.504 6.558 -5.835 1.00 0.00 H new ATOM 0 HA ASN A 70 7.830 9.490 -5.958 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.072 8.423 -7.971 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.505 7.866 -8.523 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.543 11.085 -10.234 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.922 9.371 -10.431 1.00 0.00 H new ATOM 1149 N HIS A 71 5.345 9.313 -5.645 1.00 0.00 N ATOM 1150 CA HIS A 71 3.853 9.311 -5.603 1.00 0.00 C ATOM 1151 C HIS A 71 3.354 10.758 -5.614 1.00 0.00 C ATOM 1152 O HIS A 71 3.785 11.575 -4.825 1.00 0.00 O ATOM 1153 CB HIS A 71 3.364 8.608 -4.332 1.00 0.00 C ATOM 1154 CG HIS A 71 4.002 9.242 -3.128 1.00 0.00 C ATOM 1155 ND1 HIS A 71 5.374 9.424 -3.028 1.00 0.00 N ATOM 1156 CD2 HIS A 71 3.471 9.738 -1.962 1.00 0.00 C ATOM 1157 CE1 HIS A 71 5.621 10.007 -1.840 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.496 10.218 -1.155 1.00 0.00 N ATOM 0 H HIS A 71 5.796 9.956 -4.994 1.00 0.00 H new ATOM 0 HA HIS A 71 3.465 8.778 -6.471 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.279 8.678 -4.260 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.613 7.548 -4.372 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.421 9.753 -1.711 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.607 10.271 -1.486 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.407 10.643 -0.232 1.00 0.00 H new ATOM 1167 N ALA A 72 2.453 11.079 -6.501 1.00 0.00 N ATOM 1168 CA ALA A 72 1.929 12.475 -6.564 1.00 0.00 C ATOM 1169 C ALA A 72 1.251 12.700 -7.919 1.00 0.00 C ATOM 1170 O ALA A 72 0.129 12.300 -8.128 1.00 0.00 O ATOM 1171 CB ALA A 72 3.082 13.468 -6.393 1.00 0.00 C ATOM 0 H ALA A 72 2.056 10.436 -7.186 1.00 0.00 H new ATOM 0 HA ALA A 72 1.205 12.628 -5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.695 14.486 -6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.562 13.306 -5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.811 13.320 -7.190 1.00 0.00 H new ATOM 1177 N LYS A 73 1.916 13.341 -8.839 1.00 0.00 N ATOM 1178 CA LYS A 73 1.293 13.585 -10.174 1.00 0.00 C ATOM 1179 C LYS A 73 0.950 12.244 -10.831 1.00 0.00 C ATOM 1180 O LYS A 73 -0.031 12.117 -11.537 1.00 0.00 O ATOM 1181 CB LYS A 73 2.278 14.347 -11.063 1.00 0.00 C ATOM 1182 CG LYS A 73 2.732 15.635 -10.365 1.00 0.00 C ATOM 1183 CD LYS A 73 1.546 16.589 -10.202 1.00 0.00 C ATOM 1184 CE LYS A 73 2.065 17.992 -9.877 1.00 0.00 C ATOM 1185 NZ LYS A 73 1.178 18.625 -8.860 1.00 0.00 N ATOM 0 H LYS A 73 2.862 13.706 -8.727 1.00 0.00 H new ATOM 0 HA LYS A 73 0.383 14.172 -10.048 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.142 13.720 -11.283 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.808 14.587 -12.017 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.156 15.399 -9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.519 16.116 -10.947 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.954 16.611 -11.117 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.889 16.238 -9.406 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.086 17.936 -9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.092 18.600 -10.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.529 19.578 -8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.211 18.691 -9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.174 18.048 -7.995 1.00 0.00 H new ATOM 1199 N TYR A 74 1.759 11.249 -10.609 1.00 0.00 N ATOM 1200 CA TYR A 74 1.506 9.909 -11.217 1.00 0.00 C ATOM 1201 C TYR A 74 0.146 9.359 -10.766 1.00 0.00 C ATOM 1202 O TYR A 74 -0.583 8.775 -11.543 1.00 0.00 O ATOM 1203 CB TYR A 74 2.621 8.959 -10.777 1.00 0.00 C ATOM 1204 CG TYR A 74 2.122 7.535 -10.786 1.00 0.00 C ATOM 1205 CD1 TYR A 74 1.454 7.028 -11.905 1.00 0.00 C ATOM 1206 CD2 TYR A 74 2.331 6.723 -9.668 1.00 0.00 C ATOM 1207 CE1 TYR A 74 0.996 5.704 -11.904 1.00 0.00 C ATOM 1208 CE2 TYR A 74 1.873 5.401 -9.664 1.00 0.00 C ATOM 1209 CZ TYR A 74 1.206 4.891 -10.784 1.00 0.00 C ATOM 1210 OH TYR A 74 0.754 3.588 -10.783 1.00 0.00 O ATOM 0 H TYR A 74 2.594 11.304 -10.027 1.00 0.00 H new ATOM 0 HA TYR A 74 1.492 9.999 -12.303 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.477 9.057 -11.444 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.964 9.226 -9.777 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.291 7.656 -12.768 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.847 7.117 -8.805 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.481 5.310 -12.768 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.034 4.775 -8.799 1.00 0.00 H new ATOM 0 HH TYR A 74 0.454 3.347 -9.882 1.00 0.00 H new ATOM 1220 N ILE A 75 -0.192 9.530 -9.519 1.00 0.00 N ATOM 1221 CA ILE A 75 -1.496 9.007 -9.006 1.00 0.00 C ATOM 1222 C ILE A 75 -2.346 10.175 -8.490 1.00 0.00 C ATOM 1223 O ILE A 75 -1.845 11.254 -8.268 1.00 0.00 O ATOM 1224 CB ILE A 75 -1.202 8.045 -7.857 1.00 0.00 C ATOM 1225 CG1 ILE A 75 0.190 8.354 -7.309 1.00 0.00 C ATOM 1226 CG2 ILE A 75 -1.236 6.596 -8.361 1.00 0.00 C ATOM 1227 CD1 ILE A 75 0.412 7.566 -6.024 1.00 0.00 C ATOM 0 H ILE A 75 0.380 10.012 -8.826 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.039 8.495 -9.800 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.954 8.166 -7.077 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.950 8.092 -8.046 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.288 9.422 -7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.025 5.918 -7.534 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.223 6.376 -8.768 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.484 6.464 -9.139 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.405 7.784 -5.630 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.341 7.850 -5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.331 6.499 -6.233 1.00 0.00 H new ATOM 1239 N PRO A 76 -3.623 9.969 -8.291 1.00 0.00 N ATOM 1240 CA PRO A 76 -4.526 11.030 -7.785 1.00 0.00 C ATOM 1241 C PRO A 76 -3.839 11.922 -6.746 1.00 0.00 C ATOM 1242 O PRO A 76 -2.955 11.491 -6.032 1.00 0.00 O ATOM 1243 CB PRO A 76 -5.683 10.256 -7.142 1.00 0.00 C ATOM 1244 CG PRO A 76 -5.540 8.817 -7.562 1.00 0.00 C ATOM 1245 CD PRO A 76 -4.356 8.725 -8.527 1.00 0.00 C ATOM 0 HA PRO A 76 -4.845 11.702 -8.581 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.650 10.346 -6.056 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.643 10.658 -7.466 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.374 8.180 -6.693 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.453 8.467 -8.044 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.738 7.851 -8.322 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.688 8.645 -9.562 1.00 0.00 H new ATOM 1253 N GLY A 77 -4.234 13.163 -6.660 1.00 0.00 N ATOM 1254 CA GLY A 77 -3.601 14.085 -5.672 1.00 0.00 C ATOM 1255 C GLY A 77 -3.982 13.663 -4.250 1.00 0.00 C ATOM 1256 O GLY A 77 -3.918 14.447 -3.324 1.00 0.00 O ATOM 0 H GLY A 77 -4.969 13.580 -7.232 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.517 14.068 -5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.926 15.109 -5.857 1.00 0.00 H new ATOM 1260 N THR A 78 -4.382 12.435 -4.072 1.00 0.00 N ATOM 1261 CA THR A 78 -4.769 11.966 -2.711 1.00 0.00 C ATOM 1262 C THR A 78 -3.610 12.183 -1.735 1.00 0.00 C ATOM 1263 O THR A 78 -2.466 11.916 -2.047 1.00 0.00 O ATOM 1264 CB THR A 78 -5.102 10.474 -2.766 1.00 0.00 C ATOM 1265 OG1 THR A 78 -5.715 10.082 -1.546 1.00 0.00 O ATOM 1266 CG2 THR A 78 -3.816 9.672 -2.975 1.00 0.00 C ATOM 0 H THR A 78 -4.458 11.735 -4.810 1.00 0.00 H new ATOM 0 HA THR A 78 -5.638 12.530 -2.372 1.00 0.00 H new ATOM 0 HB THR A 78 -5.786 10.283 -3.593 1.00 0.00 H new ATOM 0 HG1 THR A 78 -6.662 9.884 -1.704 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.053 8.609 -3.014 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.347 9.974 -3.911 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.131 9.861 -2.148 1.00 0.00 H new ATOM 1274 N LYS A 79 -3.897 12.652 -0.551 1.00 0.00 N ATOM 1275 CA LYS A 79 -2.811 12.869 0.446 1.00 0.00 C ATOM 1276 C LYS A 79 -2.760 11.667 1.390 1.00 0.00 C ATOM 1277 O LYS A 79 -3.598 11.508 2.256 1.00 0.00 O ATOM 1278 CB LYS A 79 -3.097 14.139 1.250 1.00 0.00 C ATOM 1279 CG LYS A 79 -3.057 15.354 0.320 1.00 0.00 C ATOM 1280 CD LYS A 79 -3.227 16.633 1.142 1.00 0.00 C ATOM 1281 CE LYS A 79 -3.305 17.838 0.203 1.00 0.00 C ATOM 1282 NZ LYS A 79 -2.188 18.777 0.505 1.00 0.00 N ATOM 0 H LYS A 79 -4.835 12.894 -0.232 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.856 12.979 -0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.074 14.067 1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.360 14.252 2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.111 15.380 -0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.849 15.281 -0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.132 16.571 1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.390 16.749 1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.247 17.508 -0.834 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.263 18.345 0.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.241 19.596 -0.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.263 19.101 1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.279 18.290 0.369 1.00 0.00 H new ATOM 1296 N MET A 80 -1.789 10.813 1.222 1.00 0.00 N ATOM 1297 CA MET A 80 -1.689 9.613 2.101 1.00 0.00 C ATOM 1298 C MET A 80 -1.425 10.039 3.549 1.00 0.00 C ATOM 1299 O MET A 80 -2.000 9.504 4.476 1.00 0.00 O ATOM 1300 CB MET A 80 -0.546 8.731 1.609 1.00 0.00 C ATOM 1301 CG MET A 80 -0.527 7.435 2.413 1.00 0.00 C ATOM 1302 SD MET A 80 -0.839 6.034 1.314 1.00 0.00 S ATOM 1303 CE MET A 80 0.888 5.561 1.078 1.00 0.00 C ATOM 0 H MET A 80 -1.060 10.894 0.514 1.00 0.00 H new ATOM 0 HA MET A 80 -2.627 9.059 2.065 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.671 8.513 0.548 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.404 9.254 1.717 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.438 7.315 2.906 1.00 0.00 H new ATOM 0 HG3 MET A 80 -1.283 7.471 3.197 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.980 4.956 0.176 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.500 6.457 0.977 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.228 4.984 1.938 1.00 0.00 H new ATOM 1313 N ALA A 81 -0.566 11.002 3.751 1.00 0.00 N ATOM 1314 CA ALA A 81 -0.275 11.466 5.139 1.00 0.00 C ATOM 1315 C ALA A 81 0.445 10.366 5.933 1.00 0.00 C ATOM 1316 O ALA A 81 0.609 10.468 7.132 1.00 0.00 O ATOM 1317 CB ALA A 81 -1.589 11.815 5.840 1.00 0.00 C ATOM 0 H ALA A 81 -0.053 11.488 3.015 1.00 0.00 H new ATOM 0 HA ALA A 81 0.368 12.344 5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.381 12.155 6.855 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.096 12.607 5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.228 10.932 5.876 1.00 0.00 H new ATOM 1323 N PHE A 82 0.874 9.316 5.284 1.00 0.00 N ATOM 1324 CA PHE A 82 1.578 8.224 6.023 1.00 0.00 C ATOM 1325 C PHE A 82 2.828 8.782 6.712 1.00 0.00 C ATOM 1326 O PHE A 82 3.160 8.401 7.817 1.00 0.00 O ATOM 1327 CB PHE A 82 1.967 7.111 5.046 1.00 0.00 C ATOM 1328 CG PHE A 82 3.057 6.241 5.632 1.00 0.00 C ATOM 1329 CD1 PHE A 82 3.058 5.918 6.996 1.00 0.00 C ATOM 1330 CD2 PHE A 82 4.070 5.751 4.797 1.00 0.00 C ATOM 1331 CE1 PHE A 82 4.071 5.107 7.521 1.00 0.00 C ATOM 1332 CE2 PHE A 82 5.079 4.940 5.324 1.00 0.00 C ATOM 1333 CZ PHE A 82 5.081 4.619 6.685 1.00 0.00 C ATOM 0 H PHE A 82 0.769 9.166 4.281 1.00 0.00 H new ATOM 0 HA PHE A 82 0.912 7.815 6.783 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.093 6.502 4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 82 2.308 7.547 4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.278 6.294 7.641 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.071 6.000 3.746 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.073 4.858 8.572 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.858 4.561 4.679 1.00 0.00 H new ATOM 0 HZ PHE A 82 5.863 3.994 7.091 1.00 0.00 H new ATOM 1343 N GLY A 83 3.520 9.688 6.075 1.00 0.00 N ATOM 1344 CA GLY A 83 4.740 10.274 6.704 1.00 0.00 C ATOM 1345 C GLY A 83 5.999 9.636 6.107 1.00 0.00 C ATOM 1346 O GLY A 83 7.105 10.067 6.371 1.00 0.00 O ATOM 0 H GLY A 83 3.294 10.048 5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.759 11.352 6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.717 10.112 7.782 1.00 0.00 H new ATOM 1350 N GLY A 84 5.846 8.624 5.301 1.00 0.00 N ATOM 1351 CA GLY A 84 7.041 7.975 4.686 1.00 0.00 C ATOM 1352 C GLY A 84 7.621 6.925 5.639 1.00 0.00 C ATOM 1353 O GLY A 84 7.025 6.582 6.641 1.00 0.00 O ATOM 0 H GLY A 84 4.948 8.217 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.764 7.506 3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.796 8.727 4.459 1.00 0.00 H new ATOM 1357 N LEU A 85 8.781 6.411 5.326 1.00 0.00 N ATOM 1358 CA LEU A 85 9.408 5.377 6.199 1.00 0.00 C ATOM 1359 C LEU A 85 10.922 5.365 5.950 1.00 0.00 C ATOM 1360 O LEU A 85 11.415 6.015 5.051 1.00 0.00 O ATOM 1361 CB LEU A 85 8.805 4.007 5.850 1.00 0.00 C ATOM 1362 CG LEU A 85 9.194 2.950 6.891 1.00 0.00 C ATOM 1363 CD1 LEU A 85 8.720 3.381 8.281 1.00 0.00 C ATOM 1364 CD2 LEU A 85 8.525 1.623 6.527 1.00 0.00 C ATOM 0 H LEU A 85 9.323 6.664 4.500 1.00 0.00 H new ATOM 0 HA LEU A 85 9.220 5.599 7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.719 4.087 5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.150 3.695 4.864 1.00 0.00 H new ATOM 0 HG LEU A 85 10.278 2.838 6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.001 2.623 9.012 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.184 4.331 8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.636 3.496 8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.796 0.865 7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.443 1.751 6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.859 1.306 5.539 1.00 0.00 H new ATOM 1376 N LYS A 86 11.662 4.636 6.736 1.00 0.00 N ATOM 1377 CA LYS A 86 13.138 4.580 6.543 1.00 0.00 C ATOM 1378 C LYS A 86 13.453 4.097 5.122 1.00 0.00 C ATOM 1379 O LYS A 86 14.541 4.296 4.620 1.00 0.00 O ATOM 1380 CB LYS A 86 13.748 3.610 7.557 1.00 0.00 C ATOM 1381 CG LYS A 86 13.530 4.147 8.973 1.00 0.00 C ATOM 1382 CD LYS A 86 14.237 3.236 9.979 1.00 0.00 C ATOM 1383 CE LYS A 86 13.915 3.700 11.400 1.00 0.00 C ATOM 1384 NZ LYS A 86 12.445 3.901 11.537 1.00 0.00 N ATOM 0 H LYS A 86 11.306 4.073 7.509 1.00 0.00 H new ATOM 0 HA LYS A 86 13.560 5.574 6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.290 2.626 7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.814 3.487 7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.917 5.163 9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.464 4.194 9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.915 2.204 9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.314 3.259 9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.260 2.960 12.122 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.442 4.629 11.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.164 3.747 12.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.199 4.871 11.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.944 3.225 10.926 1.00 0.00 H new ATOM 1398 N LYS A 87 12.511 3.449 4.480 1.00 0.00 N ATOM 1399 CA LYS A 87 12.739 2.935 3.093 1.00 0.00 C ATOM 1400 C LYS A 87 13.894 1.934 3.083 1.00 0.00 C ATOM 1401 O LYS A 87 14.814 2.041 2.296 1.00 0.00 O ATOM 1402 CB LYS A 87 13.047 4.091 2.139 1.00 0.00 C ATOM 1403 CG LYS A 87 11.793 4.944 1.947 1.00 0.00 C ATOM 1404 CD LYS A 87 12.092 6.070 0.960 1.00 0.00 C ATOM 1405 CE LYS A 87 10.872 6.986 0.843 1.00 0.00 C ATOM 1406 NZ LYS A 87 9.725 6.216 0.285 1.00 0.00 N ATOM 0 H LYS A 87 11.586 3.253 4.861 1.00 0.00 H new ATOM 0 HA LYS A 87 11.831 2.434 2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.856 4.701 2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.386 3.703 1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.974 4.328 1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.472 5.359 2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.958 6.641 1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.343 5.655 -0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.611 7.389 1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.102 7.835 0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.328 6.726 -0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.053 5.278 -0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.993 6.106 1.015 1.00 0.00 H new ATOM 1420 N GLU A 88 13.851 0.955 3.944 1.00 0.00 N ATOM 1421 CA GLU A 88 14.942 -0.060 3.978 1.00 0.00 C ATOM 1422 C GLU A 88 14.331 -1.452 4.133 1.00 0.00 C ATOM 1423 O GLU A 88 13.270 -1.734 3.612 1.00 0.00 O ATOM 1424 CB GLU A 88 15.876 0.228 5.155 1.00 0.00 C ATOM 1425 CG GLU A 88 16.496 1.617 4.988 1.00 0.00 C ATOM 1426 CD GLU A 88 17.489 1.874 6.122 1.00 0.00 C ATOM 1427 OE1 GLU A 88 17.523 1.077 7.045 1.00 0.00 O ATOM 1428 OE2 GLU A 88 18.198 2.865 6.049 1.00 0.00 O ATOM 0 H GLU A 88 13.106 0.814 4.627 1.00 0.00 H new ATOM 0 HA GLU A 88 15.512 -0.014 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.323 0.176 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.660 -0.528 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.002 1.687 4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.716 2.378 4.995 1.00 0.00 H new ATOM 1435 N LYS A 89 14.987 -2.326 4.845 1.00 0.00 N ATOM 1436 CA LYS A 89 14.431 -3.694 5.026 1.00 0.00 C ATOM 1437 C LYS A 89 13.002 -3.577 5.553 1.00 0.00 C ATOM 1438 O LYS A 89 12.142 -4.375 5.233 1.00 0.00 O ATOM 1439 CB LYS A 89 15.287 -4.468 6.030 1.00 0.00 C ATOM 1440 CG LYS A 89 14.796 -5.915 6.113 1.00 0.00 C ATOM 1441 CD LYS A 89 15.612 -6.672 7.163 1.00 0.00 C ATOM 1442 CE LYS A 89 15.235 -8.154 7.132 1.00 0.00 C ATOM 1443 NZ LYS A 89 15.897 -8.812 5.970 1.00 0.00 N ATOM 0 H LYS A 89 15.880 -2.152 5.307 1.00 0.00 H new ATOM 0 HA LYS A 89 14.433 -4.225 4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.333 -4.445 5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.230 -3.997 7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 89 13.738 -5.937 6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 89 14.894 -6.400 5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 89 16.677 -6.553 6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 89 15.423 -6.258 8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 89 15.541 -8.637 8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 89 14.153 -8.263 7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.216 -9.434 5.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.232 -8.086 5.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 16.705 -9.375 6.304 1.00 0.00 H new ATOM 1457 N ASP A 90 12.741 -2.581 6.351 1.00 0.00 N ATOM 1458 CA ASP A 90 11.370 -2.399 6.895 1.00 0.00 C ATOM 1459 C ASP A 90 10.380 -2.269 5.735 1.00 0.00 C ATOM 1460 O ASP A 90 9.310 -2.842 5.752 1.00 0.00 O ATOM 1461 CB ASP A 90 11.335 -1.123 7.733 1.00 0.00 C ATOM 1462 CG ASP A 90 12.188 -1.312 8.989 1.00 0.00 C ATOM 1463 OD1 ASP A 90 12.564 -2.439 9.262 1.00 0.00 O ATOM 1464 OD2 ASP A 90 12.451 -0.325 9.657 1.00 0.00 O ATOM 0 H ASP A 90 13.422 -1.883 6.650 1.00 0.00 H new ATOM 0 HA ASP A 90 11.099 -3.255 7.512 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.710 -0.282 7.150 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.308 -0.886 8.011 1.00 0.00 H new ATOM 1469 N ARG A 91 10.733 -1.518 4.729 1.00 0.00 N ATOM 1470 CA ARG A 91 9.819 -1.347 3.566 1.00 0.00 C ATOM 1471 C ARG A 91 9.569 -2.695 2.894 1.00 0.00 C ATOM 1472 O ARG A 91 8.458 -3.020 2.526 1.00 0.00 O ATOM 1473 CB ARG A 91 10.458 -0.392 2.560 1.00 0.00 C ATOM 1474 CG ARG A 91 9.518 -0.186 1.370 1.00 0.00 C ATOM 1475 CD ARG A 91 10.175 0.759 0.362 1.00 0.00 C ATOM 1476 NE ARG A 91 11.365 0.094 -0.237 1.00 0.00 N ATOM 1477 CZ ARG A 91 11.874 0.547 -1.351 1.00 0.00 C ATOM 1478 NH1 ARG A 91 11.339 1.581 -1.939 1.00 0.00 N ATOM 1479 NH2 ARG A 91 12.918 -0.036 -1.876 1.00 0.00 N ATOM 0 H ARG A 91 11.617 -1.014 4.662 1.00 0.00 H new ATOM 0 HA ARG A 91 8.869 -0.940 3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.670 0.565 3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.411 -0.795 2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.297 -1.143 0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.569 0.229 1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.463 1.027 -0.419 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.472 1.685 0.855 1.00 0.00 H new ATOM 0 HE ARG A 91 11.783 -0.715 0.223 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.523 2.036 -1.529 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.736 1.935 -2.809 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.336 -0.845 -1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.316 0.318 -2.746 1.00 0.00 H new ATOM 1493 N ASN A 92 10.594 -3.479 2.723 1.00 0.00 N ATOM 1494 CA ASN A 92 10.411 -4.799 2.064 1.00 0.00 C ATOM 1495 C ASN A 92 9.386 -5.629 2.840 1.00 0.00 C ATOM 1496 O ASN A 92 8.539 -6.283 2.265 1.00 0.00 O ATOM 1497 CB ASN A 92 11.750 -5.535 2.037 1.00 0.00 C ATOM 1498 CG ASN A 92 12.740 -4.764 1.162 1.00 0.00 C ATOM 1499 OD1 ASN A 92 13.865 -5.187 0.982 1.00 0.00 O ATOM 1500 ND2 ASN A 92 12.367 -3.644 0.606 1.00 0.00 N ATOM 0 H ASN A 92 11.549 -3.263 3.010 1.00 0.00 H new ATOM 0 HA ASN A 92 10.051 -4.650 1.046 1.00 0.00 H new ATOM 0 HB2 ASN A 92 12.143 -5.633 3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 92 11.614 -6.544 1.648 1.00 0.00 H new ATOM 0 HD21 ASN A 92 13.020 -3.123 0.020 1.00 0.00 H new ATOM 0 HD22 ASN A 92 11.423 -3.289 0.757 1.00 0.00 H new ATOM 1507 N ASP A 93 9.455 -5.610 4.139 1.00 0.00 N ATOM 1508 CA ASP A 93 8.487 -6.398 4.948 1.00 0.00 C ATOM 1509 C ASP A 93 7.068 -5.866 4.731 1.00 0.00 C ATOM 1510 O ASP A 93 6.117 -6.620 4.654 1.00 0.00 O ATOM 1511 CB ASP A 93 8.859 -6.286 6.426 1.00 0.00 C ATOM 1512 CG ASP A 93 10.207 -6.968 6.665 1.00 0.00 C ATOM 1513 OD1 ASP A 93 10.653 -7.682 5.782 1.00 0.00 O ATOM 1514 OD2 ASP A 93 10.771 -6.765 7.728 1.00 0.00 O ATOM 0 H ASP A 93 10.142 -5.082 4.677 1.00 0.00 H new ATOM 0 HA ASP A 93 8.523 -7.443 4.639 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.912 -5.238 6.720 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.090 -6.751 7.042 1.00 0.00 H new ATOM 1519 N LEU A 94 6.915 -4.573 4.643 1.00 0.00 N ATOM 1520 CA LEU A 94 5.558 -3.993 4.443 1.00 0.00 C ATOM 1521 C LEU A 94 4.977 -4.436 3.098 1.00 0.00 C ATOM 1522 O LEU A 94 3.820 -4.791 3.002 1.00 0.00 O ATOM 1523 CB LEU A 94 5.660 -2.469 4.469 1.00 0.00 C ATOM 1524 CG LEU A 94 6.124 -2.004 5.851 1.00 0.00 C ATOM 1525 CD1 LEU A 94 6.269 -0.481 5.855 1.00 0.00 C ATOM 1526 CD2 LEU A 94 5.088 -2.414 6.902 1.00 0.00 C ATOM 0 H LEU A 94 7.673 -3.893 4.701 1.00 0.00 H new ATOM 0 HA LEU A 94 4.902 -4.342 5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.361 -2.129 3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.692 -2.027 4.232 1.00 0.00 H new ATOM 0 HG LEU A 94 7.084 -2.464 6.084 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.599 -0.150 6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.003 -0.183 5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.308 -0.023 5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.418 -2.083 7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.129 -1.953 6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.979 -3.499 6.902 1.00 0.00 H new ATOM 1538 N ILE A 95 5.763 -4.412 2.058 1.00 0.00 N ATOM 1539 CA ILE A 95 5.244 -4.823 0.729 1.00 0.00 C ATOM 1540 C ILE A 95 4.764 -6.272 0.793 1.00 0.00 C ATOM 1541 O ILE A 95 3.699 -6.608 0.312 1.00 0.00 O ATOM 1542 CB ILE A 95 6.360 -4.695 -0.304 1.00 0.00 C ATOM 1543 CG1 ILE A 95 6.852 -3.247 -0.345 1.00 0.00 C ATOM 1544 CG2 ILE A 95 5.822 -5.086 -1.675 1.00 0.00 C ATOM 1545 CD1 ILE A 95 8.062 -3.145 -1.277 1.00 0.00 C ATOM 0 H ILE A 95 6.742 -4.125 2.073 1.00 0.00 H new ATOM 0 HA ILE A 95 4.409 -4.183 0.446 1.00 0.00 H new ATOM 0 HB ILE A 95 7.187 -5.352 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.055 -2.591 -0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.123 -2.915 0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.616 -4.996 -2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.467 -6.116 -1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.998 -4.426 -1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.413 -2.113 -1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 95 8.860 -3.789 -0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.776 -3.460 -2.281 1.00 0.00 H new ATOM 1557 N THR A 96 5.541 -7.134 1.386 1.00 0.00 N ATOM 1558 CA THR A 96 5.132 -8.562 1.483 1.00 0.00 C ATOM 1559 C THR A 96 3.796 -8.659 2.227 1.00 0.00 C ATOM 1560 O THR A 96 2.929 -9.432 1.869 1.00 0.00 O ATOM 1561 CB THR A 96 6.200 -9.345 2.251 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.477 -9.065 1.697 1.00 0.00 O ATOM 1563 CG2 THR A 96 5.916 -10.843 2.142 1.00 0.00 C ATOM 0 H THR A 96 6.442 -6.911 1.808 1.00 0.00 H new ATOM 0 HA THR A 96 5.023 -8.979 0.482 1.00 0.00 H new ATOM 0 HB THR A 96 6.183 -9.049 3.300 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.810 -8.216 2.056 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.678 -11.398 2.689 1.00 0.00 H new ATOM 0 HG22 THR A 96 4.935 -11.059 2.565 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.933 -11.141 1.094 1.00 0.00 H new ATOM 1571 N TYR A 97 3.627 -7.881 3.262 1.00 0.00 N ATOM 1572 CA TYR A 97 2.351 -7.929 4.030 1.00 0.00 C ATOM 1573 C TYR A 97 1.175 -7.567 3.120 1.00 0.00 C ATOM 1574 O TYR A 97 0.119 -8.163 3.195 1.00 0.00 O ATOM 1575 CB TYR A 97 2.418 -6.943 5.199 1.00 0.00 C ATOM 1576 CG TYR A 97 1.134 -7.019 5.988 1.00 0.00 C ATOM 1577 CD1 TYR A 97 0.974 -8.001 6.971 1.00 0.00 C ATOM 1578 CD2 TYR A 97 0.101 -6.109 5.732 1.00 0.00 C ATOM 1579 CE1 TYR A 97 -0.220 -8.074 7.700 1.00 0.00 C ATOM 1580 CE2 TYR A 97 -1.092 -6.182 6.461 1.00 0.00 C ATOM 1581 CZ TYR A 97 -1.252 -7.164 7.445 1.00 0.00 C ATOM 1582 OH TYR A 97 -2.429 -7.236 8.163 1.00 0.00 O ATOM 0 H TYR A 97 4.317 -7.215 3.608 1.00 0.00 H new ATOM 0 HA TYR A 97 2.205 -8.939 4.413 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.267 -7.179 5.840 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.571 -5.930 4.827 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.771 -8.703 7.168 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.225 -5.351 4.973 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.344 -8.833 8.459 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.889 -5.480 6.264 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.938 -6.407 8.041 1.00 0.00 H new ATOM 1592 N LEU A 98 1.340 -6.597 2.261 1.00 0.00 N ATOM 1593 CA LEU A 98 0.223 -6.212 1.356 1.00 0.00 C ATOM 1594 C LEU A 98 -0.215 -7.428 0.545 1.00 0.00 C ATOM 1595 O LEU A 98 -1.388 -7.631 0.299 1.00 0.00 O ATOM 1596 CB LEU A 98 0.693 -5.104 0.411 1.00 0.00 C ATOM 1597 CG LEU A 98 1.109 -3.876 1.223 1.00 0.00 C ATOM 1598 CD1 LEU A 98 1.549 -2.762 0.271 1.00 0.00 C ATOM 1599 CD2 LEU A 98 -0.080 -3.386 2.055 1.00 0.00 C ATOM 0 H LEU A 98 2.198 -6.057 2.148 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.618 -5.850 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.532 -5.456 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.106 -4.840 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 98 1.934 -4.142 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.846 -1.886 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.393 -3.106 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.722 -2.499 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.217 -2.511 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.903 -3.120 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.401 -4.177 2.733 1.00 0.00 H new ATOM 1611 N LYS A 99 0.712 -8.245 0.133 1.00 0.00 N ATOM 1612 CA LYS A 99 0.332 -9.450 -0.651 1.00 0.00 C ATOM 1613 C LYS A 99 -0.609 -10.313 0.191 1.00 0.00 C ATOM 1614 O LYS A 99 -1.586 -10.843 -0.297 1.00 0.00 O ATOM 1615 CB LYS A 99 1.587 -10.252 -1.001 1.00 0.00 C ATOM 1616 CG LYS A 99 1.210 -11.419 -1.916 1.00 0.00 C ATOM 1617 CD LYS A 99 2.474 -12.172 -2.335 1.00 0.00 C ATOM 1618 CE LYS A 99 3.102 -12.845 -1.112 1.00 0.00 C ATOM 1619 NZ LYS A 99 3.854 -14.057 -1.544 1.00 0.00 N ATOM 0 H LYS A 99 1.711 -8.131 0.304 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.167 -9.148 -1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.316 -9.609 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.057 -10.626 -0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.527 -12.093 -1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.686 -11.049 -2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.230 -12.920 -3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.186 -11.483 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.771 -12.150 -0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.327 -13.120 -0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.281 -14.515 -0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.203 -14.722 -2.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.603 -13.781 -2.211 1.00 0.00 H new ATOM 1633 N LYS A 100 -0.321 -10.453 1.457 1.00 0.00 N ATOM 1634 CA LYS A 100 -1.199 -11.276 2.335 1.00 0.00 C ATOM 1635 C LYS A 100 -2.596 -10.653 2.399 1.00 0.00 C ATOM 1636 O LYS A 100 -3.594 -11.345 2.428 1.00 0.00 O ATOM 1637 CB LYS A 100 -0.603 -11.335 3.743 1.00 0.00 C ATOM 1638 CG LYS A 100 -1.427 -12.293 4.607 1.00 0.00 C ATOM 1639 CD LYS A 100 -0.778 -12.428 5.986 1.00 0.00 C ATOM 1640 CE LYS A 100 -0.858 -11.092 6.729 1.00 0.00 C ATOM 1641 NZ LYS A 100 -1.075 -11.345 8.181 1.00 0.00 N ATOM 0 H LYS A 100 0.485 -10.033 1.920 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.272 -12.284 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.433 -11.670 3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.597 -10.340 4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.447 -11.921 4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.490 -13.269 4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.282 -13.205 6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.263 -12.734 5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.061 -10.525 6.581 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.672 -10.489 6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.429 -10.479 8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.771 -12.108 8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.176 -11.625 8.623 1.00 0.00 H new ATOM 1655 N ALA A 101 -2.673 -9.350 2.428 1.00 0.00 N ATOM 1656 CA ALA A 101 -4.005 -8.684 2.500 1.00 0.00 C ATOM 1657 C ALA A 101 -4.818 -9.016 1.247 1.00 0.00 C ATOM 1658 O ALA A 101 -6.025 -9.136 1.294 1.00 0.00 O ATOM 1659 CB ALA A 101 -3.811 -7.168 2.598 1.00 0.00 C ATOM 0 H ALA A 101 -1.872 -8.719 2.405 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.540 -9.041 3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.784 -6.679 2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.237 -6.932 3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.274 -6.812 1.719 1.00 0.00 H new ATOM 1665 N THR A 102 -4.168 -9.165 0.124 1.00 0.00 N ATOM 1666 CA THR A 102 -4.912 -9.487 -1.126 1.00 0.00 C ATOM 1667 C THR A 102 -5.511 -10.892 -1.017 1.00 0.00 C ATOM 1668 O THR A 102 -6.560 -11.172 -1.563 1.00 0.00 O ATOM 1669 CB THR A 102 -3.957 -9.408 -2.325 1.00 0.00 C ATOM 1670 OG1 THR A 102 -4.626 -8.785 -3.412 1.00 0.00 O ATOM 1671 CG2 THR A 102 -3.506 -10.810 -2.745 1.00 0.00 C ATOM 0 H THR A 102 -3.157 -9.078 0.019 1.00 0.00 H new ATOM 0 HA THR A 102 -5.719 -8.769 -1.269 1.00 0.00 H new ATOM 0 HB THR A 102 -3.079 -8.827 -2.041 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.798 -9.447 -4.114 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.829 -10.735 -3.596 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.991 -11.291 -1.913 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.376 -11.404 -3.025 1.00 0.00 H new ATOM 1679 N GLU A 103 -4.855 -11.777 -0.317 1.00 0.00 N ATOM 1680 CA GLU A 103 -5.388 -13.161 -0.177 1.00 0.00 C ATOM 1681 C GLU A 103 -6.677 -13.129 0.647 1.00 0.00 C ATOM 1682 O GLU A 103 -6.666 -12.820 1.823 1.00 0.00 O ATOM 1683 CB GLU A 103 -4.352 -14.038 0.530 1.00 0.00 C ATOM 1684 CG GLU A 103 -3.086 -14.127 -0.325 1.00 0.00 C ATOM 1685 CD GLU A 103 -3.414 -14.800 -1.659 1.00 0.00 C ATOM 1686 OE1 GLU A 103 -4.438 -15.459 -1.732 1.00 0.00 O ATOM 1687 OE2 GLU A 103 -2.632 -14.650 -2.584 1.00 0.00 O ATOM 0 H GLU A 103 -3.973 -11.601 0.164 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.598 -13.572 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.114 -13.620 1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.759 -15.035 0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.682 -13.130 -0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.319 -14.695 0.201 1.00 0.00 H new TER 1694 GLU A 103 HETATM 1695 FE HEC A 104 -2.424 4.334 2.012 1.00 0.00 FE HETATM 1696 CHA HEC A 104 -3.548 4.076 -1.169 1.00 0.00 C HETATM 1697 CHB HEC A 104 -0.134 1.929 1.393 1.00 0.00 C HETATM 1698 CHC HEC A 104 -1.323 4.586 5.195 1.00 0.00 C HETATM 1699 CHD HEC A 104 -4.736 6.725 2.626 1.00 0.00 C HETATM 1700 NA HEC A 104 -1.948 3.244 0.459 1.00 0.00 N HETATM 1701 C1A HEC A 104 -2.503 3.268 -0.802 1.00 0.00 C HETATM 1702 C2A HEC A 104 -1.834 2.347 -1.694 1.00 0.00 C HETATM 1703 C3A HEC A 104 -0.944 1.672 -0.931 1.00 0.00 C HETATM 1704 C4A HEC A 104 -0.974 2.281 0.371 1.00 0.00 C HETATM 1705 CMA HEC A 104 -0.270 0.391 -1.284 1.00 0.00 C HETATM 1706 CAA HEC A 104 -1.828 2.416 -3.185 1.00 0.00 C HETATM 1707 CBA HEC A 104 -0.962 3.562 -3.710 1.00 0.00 C HETATM 1708 CGA HEC A 104 -1.844 4.571 -4.449 1.00 0.00 C HETATM 1709 O1A HEC A 104 -2.495 5.359 -3.782 1.00 0.00 O HETATM 1710 O2A HEC A 104 -1.853 4.538 -5.668 1.00 0.00 O HETATM 1711 NB HEC A 104 -1.020 3.456 3.064 1.00 0.00 N HETATM 1712 C1B HEC A 104 -0.141 2.476 2.656 1.00 0.00 C HETATM 1713 C2B HEC A 104 0.767 2.093 3.721 1.00 0.00 C HETATM 1714 C3B HEC A 104 0.334 2.751 4.842 1.00 0.00 C HETATM 1715 C4B HEC A 104 -0.706 3.654 4.391 1.00 0.00 C HETATM 1716 CMB HEC A 104 2.124 1.480 3.528 1.00 0.00 C HETATM 1717 CAB HEC A 104 0.538 2.329 6.274 1.00 0.00 C HETATM 1718 CBB HEC A 104 1.877 1.633 6.557 1.00 0.00 C HETATM 1719 NC HEC A 104 -2.906 5.425 3.558 1.00 0.00 N HETATM 1720 C1C HEC A 104 -2.339 5.417 4.809 1.00 0.00 C HETATM 1721 C2C HEC A 104 -2.953 6.387 5.677 1.00 0.00 C HETATM 1722 C3C HEC A 104 -3.993 6.904 4.990 1.00 0.00 C HETATM 1723 C4C HEC A 104 -3.908 6.364 3.656 1.00 0.00 C HETATM 1724 CMC HEC A 104 -2.340 6.973 6.901 1.00 0.00 C HETATM 1725 CAC HEC A 104 -5.166 7.601 5.584 1.00 0.00 C HETATM 1726 CBC HEC A 104 -4.983 9.117 5.667 1.00 0.00 C HETATM 1727 ND HEC A 104 -3.828 5.207 0.962 1.00 0.00 N HETATM 1728 C1D HEC A 104 -4.700 6.193 1.364 1.00 0.00 C HETATM 1729 C2D HEC A 104 -5.562 6.612 0.288 1.00 0.00 C HETATM 1730 C3D HEC A 104 -5.292 5.791 -0.753 1.00 0.00 C HETATM 1731 C4D HEC A 104 -4.174 4.977 -0.350 1.00 0.00 C HETATM 1732 CMD HEC A 104 -6.304 7.903 0.216 1.00 0.00 C HETATM 1733 CAD HEC A 104 -6.148 5.578 -1.954 1.00 0.00 C HETATM 1734 CBD HEC A 104 -5.482 6.072 -3.240 1.00 0.00 C HETATM 1735 CGD HEC A 104 -6.445 6.992 -3.991 1.00 0.00 C HETATM 1736 O1D HEC A 104 -6.627 6.783 -5.180 1.00 0.00 O HETATM 1737 O2D HEC A 104 -6.985 7.890 -3.367 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -6.985 7.979 1.064 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 -5.596 8.731 0.244 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 -6.874 7.944 -0.712 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.115 6.178 7.612 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -1.420 7.492 6.634 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -3.036 7.678 7.355 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 2.024 0.537 2.990 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 2.752 2.161 2.953 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.582 1.297 4.500 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -1.021 -0.383 -1.444 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 0.313 0.525 -2.195 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.392 0.092 -0.471 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 -4.562 6.606 -3.004 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 -5.207 5.225 -3.868 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -4.115 9.345 6.286 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 -4.831 9.521 4.666 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -5.872 9.567 6.109 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 1.953 0.731 5.950 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 2.697 2.307 6.309 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 1.933 1.367 7.612 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -0.446 4.051 -2.883 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.194 3.175 -4.380 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 -6.376 4.516 -2.051 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 -7.097 6.097 -1.817 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 -1.461 1.472 -3.589 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -2.849 2.541 -3.545 1.00 0.00 H new HETATM 0 HHD HEC A 104 -5.481 7.495 2.826 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.973 4.669 6.224 1.00 0.00 H new HETATM 0 HHB HEC A 104 0.602 1.151 1.190 1.00 0.00 H new HETATM 0 HHA HEC A 104 -3.909 3.995 -2.194 1.00 0.00 H new