USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 878 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 71 HIS HE2 : A 71 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 40 SER OG : rot 47:sc= 0.738 USER MOD Set 1.2: A 52 ASN : amide:sc= -8.34! C(o=-7.6!,f=-5.1!) USER MOD Set 2.1: A 26 HIS : no HE2:sc= -14.1! C(o=-21!,f=-32!) USER MOD Set 2.2: A 31 ASN : amide:sc= -6.49! C(o=-21!,f=-28!) USER MOD Single : A 2 SER OG : rot 180:sc= -0.789 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 -39:sc= 0.381 USER MOD Single : A -2 LYS NZ :NH3+ -139:sc= -0.233 (180deg=-1.16!) USER MOD Single : A -5 THR N :NH3+ -178:sc= -0.0799 (180deg=-0.0912) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -15:sc= 0.16 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 39 HIS : no HD1:sc= -0.678 K(o=-0.68,f=-0.15) USER MOD Single : A 42 GLN : amide:sc= -0.76 K(o=-0.76,f=-4.4!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -19:sc= -4.29! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.24 K(o=-1.2,f=-5.8!) USER MOD Single : A 62 ASN : amide:sc= -1.76! K(o=-1.8!,f=-0.079) USER MOD Single : A 63 ASN : amide:sc= 0.458 K(o=0.46,f=-2.2!) USER MOD Single : A 64 MET CE :methyl 163:sc= -3.73! (180deg=-5.87!) USER MOD Single : A 65 SER OG : rot -65:sc= 0.885 USER MOD Single : A 67 TYR OH : rot -140:sc= -0.725 USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.52 USER MOD Single : A 70 ASN : amide:sc= -0.0117 K(o=-0.012,f=-5.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -100:sc= -2.65! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -156:sc= -0.236 (180deg=-1.64!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -2.27 K(o=-2.3,f=-3.6!) USER MOD Single : A 96 THR OG1 : rot 85:sc= 1.2 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= -0.379 (180deg=-0.981!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 77:sc= 0.771 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -15.083 8.824 0.163 1.00 0.00 N ATOM 2 CA THR A -5 -14.457 9.870 1.021 1.00 0.00 C ATOM 3 C THR A -5 -14.643 9.500 2.494 1.00 0.00 C ATOM 4 O THR A -5 -14.321 10.264 3.381 1.00 0.00 O ATOM 5 CB THR A -5 -15.120 11.221 0.745 1.00 0.00 C ATOM 6 OG1 THR A -5 -16.312 11.017 0.000 1.00 0.00 O ATOM 7 CG2 THR A -5 -14.164 12.109 -0.051 1.00 0.00 C ATOM 0 H1 THR A -5 -14.927 9.058 -0.838 1.00 0.00 H new ATOM 0 H2 THR A -5 -14.655 7.900 0.374 1.00 0.00 H new ATOM 0 H3 THR A -5 -16.104 8.784 0.354 1.00 0.00 H new ATOM 0 HA THR A -5 -13.393 9.936 0.795 1.00 0.00 H new ATOM 0 HB THR A -5 -15.360 11.708 1.690 1.00 0.00 H new ATOM 0 HG1 THR A -5 -16.739 11.881 -0.176 1.00 0.00 H new ATOM 0 HG21 THR A -5 -14.638 13.071 -0.246 1.00 0.00 H new ATOM 0 HG22 THR A -5 -13.250 12.265 0.522 1.00 0.00 H new ATOM 0 HG23 THR A -5 -13.921 11.625 -0.997 1.00 0.00 H new ATOM 17 N GLU A -4 -15.164 8.333 2.761 1.00 0.00 N ATOM 18 CA GLU A -4 -15.371 7.916 4.177 1.00 0.00 C ATOM 19 C GLU A -4 -14.022 7.855 4.894 1.00 0.00 C ATOM 20 O GLU A -4 -13.920 8.140 6.071 1.00 0.00 O ATOM 21 CB GLU A -4 -16.030 6.535 4.209 1.00 0.00 C ATOM 22 CG GLU A -4 -17.426 6.621 3.587 1.00 0.00 C ATOM 23 CD GLU A -4 -18.110 5.255 3.679 1.00 0.00 C ATOM 24 OE1 GLU A -4 -17.441 4.303 4.044 1.00 0.00 O ATOM 25 OE2 GLU A -4 -19.292 5.187 3.383 1.00 0.00 O ATOM 0 H GLU A -4 -15.455 7.651 2.060 1.00 0.00 H new ATOM 0 HA GLU A -4 -16.015 8.638 4.679 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -15.420 5.816 3.662 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -16.099 6.177 5.236 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -18.021 7.373 4.105 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -17.353 6.934 2.545 1.00 0.00 H new ATOM 32 N PHE A -3 -12.983 7.484 4.196 1.00 0.00 N ATOM 33 CA PHE A -3 -11.642 7.406 4.840 1.00 0.00 C ATOM 34 C PHE A -3 -11.102 8.818 5.071 1.00 0.00 C ATOM 35 O PHE A -3 -10.090 9.008 5.716 1.00 0.00 O ATOM 36 CB PHE A -3 -10.684 6.622 3.939 1.00 0.00 C ATOM 37 CG PHE A -3 -10.476 7.366 2.641 1.00 0.00 C ATOM 38 CD1 PHE A -3 -11.422 7.258 1.615 1.00 0.00 C ATOM 39 CD2 PHE A -3 -9.333 8.153 2.460 1.00 0.00 C ATOM 40 CE1 PHE A -3 -11.225 7.939 0.408 1.00 0.00 C ATOM 41 CE2 PHE A -3 -9.136 8.835 1.254 1.00 0.00 C ATOM 42 CZ PHE A -3 -10.082 8.728 0.227 1.00 0.00 C ATOM 0 H PHE A -3 -13.005 7.232 3.208 1.00 0.00 H new ATOM 0 HA PHE A -3 -11.729 6.895 5.799 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -9.729 6.481 4.445 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -11.089 5.630 3.739 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -12.303 6.650 1.755 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -8.603 8.234 3.251 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -11.955 7.856 -0.384 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -8.255 9.444 1.115 1.00 0.00 H new ATOM 0 HZ PHE A -3 -9.930 9.254 -0.704 1.00 0.00 H new ATOM 52 N LYS A -2 -11.772 9.811 4.553 1.00 0.00 N ATOM 53 CA LYS A -2 -11.303 11.213 4.744 1.00 0.00 C ATOM 54 C LYS A -2 -9.869 11.347 4.231 1.00 0.00 C ATOM 55 O LYS A -2 -8.931 10.881 4.849 1.00 0.00 O ATOM 56 CB LYS A -2 -11.351 11.569 6.235 1.00 0.00 C ATOM 57 CG LYS A -2 -11.015 13.051 6.436 1.00 0.00 C ATOM 58 CD LYS A -2 -12.247 13.912 6.143 1.00 0.00 C ATOM 59 CE LYS A -2 -11.972 15.357 6.564 1.00 0.00 C ATOM 60 NZ LYS A -2 -11.613 15.393 8.009 1.00 0.00 N ATOM 0 H LYS A -2 -12.626 9.712 4.004 1.00 0.00 H new ATOM 0 HA LYS A -2 -11.950 11.892 4.188 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -12.342 11.356 6.636 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -10.644 10.950 6.787 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -10.678 13.220 7.459 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -10.195 13.339 5.778 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -12.488 13.871 5.081 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -13.112 13.524 6.681 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -11.161 15.773 5.966 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -12.852 15.974 6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -12.072 16.210 8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -11.935 14.517 8.469 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -10.581 15.477 8.108 1.00 0.00 H new ATOM 74 N ALA A -1 -9.691 11.980 3.105 1.00 0.00 N ATOM 75 CA ALA A -1 -8.318 12.144 2.550 1.00 0.00 C ATOM 76 C ALA A -1 -7.518 13.102 3.435 1.00 0.00 C ATOM 77 O ALA A -1 -7.653 13.108 4.642 1.00 0.00 O ATOM 78 CB ALA A -1 -8.406 12.714 1.134 1.00 0.00 C ATOM 0 H ALA A -1 -10.437 12.391 2.545 1.00 0.00 H new ATOM 0 HA ALA A -1 -7.820 11.175 2.523 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -7.402 12.834 0.727 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -8.974 12.032 0.502 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -8.905 13.683 1.162 1.00 0.00 H new ATOM 84 N GLY A 1 -6.686 13.914 2.842 1.00 0.00 N ATOM 85 CA GLY A 1 -5.876 14.874 3.645 1.00 0.00 C ATOM 86 C GLY A 1 -5.062 15.765 2.706 1.00 0.00 C ATOM 87 O GLY A 1 -5.432 16.888 2.425 1.00 0.00 O ATOM 0 H GLY A 1 -6.532 13.954 1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.529 15.485 4.268 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.211 14.332 4.317 1.00 0.00 H new ATOM 91 N SER A 2 -3.959 15.271 2.214 1.00 0.00 N ATOM 92 CA SER A 2 -3.125 16.082 1.290 1.00 0.00 C ATOM 93 C SER A 2 -2.419 15.149 0.306 1.00 0.00 C ATOM 94 O SER A 2 -1.547 14.386 0.674 1.00 0.00 O ATOM 95 CB SER A 2 -2.088 16.862 2.095 1.00 0.00 C ATOM 96 OG SER A 2 -1.503 17.859 1.269 1.00 0.00 O ATOM 0 H SER A 2 -3.600 14.337 2.414 1.00 0.00 H new ATOM 0 HA SER A 2 -3.754 16.783 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.558 17.323 2.964 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.319 16.187 2.469 1.00 0.00 H new ATOM 0 HG SER A 2 -0.838 18.362 1.784 1.00 0.00 H new ATOM 102 N ALA A 3 -2.790 15.197 -0.943 1.00 0.00 N ATOM 103 CA ALA A 3 -2.146 14.309 -1.951 1.00 0.00 C ATOM 104 C ALA A 3 -0.680 14.704 -2.132 1.00 0.00 C ATOM 105 O ALA A 3 0.172 13.870 -2.367 1.00 0.00 O ATOM 106 CB ALA A 3 -2.876 14.444 -3.288 1.00 0.00 C ATOM 0 H ALA A 3 -3.514 15.815 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.200 13.277 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.406 13.795 -4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.920 14.156 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.824 15.478 -3.628 1.00 0.00 H new ATOM 112 N LYS A 4 -0.380 15.969 -2.038 1.00 0.00 N ATOM 113 CA LYS A 4 1.031 16.412 -2.222 1.00 0.00 C ATOM 114 C LYS A 4 1.918 15.737 -1.174 1.00 0.00 C ATOM 115 O LYS A 4 2.895 15.091 -1.498 1.00 0.00 O ATOM 116 CB LYS A 4 1.133 17.934 -2.058 1.00 0.00 C ATOM 117 CG LYS A 4 -0.229 18.524 -1.676 1.00 0.00 C ATOM 118 CD LYS A 4 -1.182 18.458 -2.872 1.00 0.00 C ATOM 119 CE LYS A 4 -2.603 18.173 -2.382 1.00 0.00 C ATOM 120 NZ LYS A 4 -3.585 18.739 -3.350 1.00 0.00 N ATOM 0 H LYS A 4 -1.048 16.714 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 4 1.360 16.135 -3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.869 18.175 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.483 18.383 -2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.650 17.974 -0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.109 19.558 -1.353 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.158 19.399 -3.421 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.861 17.678 -3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.755 17.099 -2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.754 18.612 -1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.551 18.546 -3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.444 19.767 -3.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.446 18.300 -4.283 1.00 0.00 H new ATOM 134 N LYS A 5 1.588 15.880 0.082 1.00 0.00 N ATOM 135 CA LYS A 5 2.414 15.248 1.144 1.00 0.00 C ATOM 136 C LYS A 5 2.393 13.728 0.979 1.00 0.00 C ATOM 137 O LYS A 5 3.399 13.062 1.127 1.00 0.00 O ATOM 138 CB LYS A 5 1.842 15.620 2.509 1.00 0.00 C ATOM 139 CG LYS A 5 1.965 17.130 2.722 1.00 0.00 C ATOM 140 CD LYS A 5 1.491 17.488 4.133 1.00 0.00 C ATOM 141 CE LYS A 5 1.510 19.007 4.312 1.00 0.00 C ATOM 142 NZ LYS A 5 0.354 19.421 5.157 1.00 0.00 N ATOM 0 H LYS A 5 0.781 16.408 0.416 1.00 0.00 H new ATOM 0 HA LYS A 5 3.442 15.602 1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.797 15.318 2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.376 15.087 3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.000 17.444 2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.369 17.662 1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.484 17.105 4.297 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.136 17.016 4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.445 19.317 4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.459 19.499 3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.366 20.454 5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.533 19.137 4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.422 18.961 6.087 1.00 0.00 H new ATOM 156 N GLY A 6 1.253 13.175 0.675 1.00 0.00 N ATOM 157 CA GLY A 6 1.159 11.698 0.500 1.00 0.00 C ATOM 158 C GLY A 6 2.027 11.259 -0.676 1.00 0.00 C ATOM 159 O GLY A 6 2.636 10.208 -0.654 1.00 0.00 O ATOM 0 H GLY A 6 0.379 13.683 0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.483 11.194 1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.123 11.409 0.326 1.00 0.00 H new ATOM 163 N ALA A 7 2.081 12.050 -1.708 1.00 0.00 N ATOM 164 CA ALA A 7 2.899 11.670 -2.890 1.00 0.00 C ATOM 165 C ALA A 7 4.369 11.571 -2.492 1.00 0.00 C ATOM 166 O ALA A 7 5.051 10.631 -2.844 1.00 0.00 O ATOM 167 CB ALA A 7 2.737 12.728 -3.983 1.00 0.00 C ATOM 0 H ALA A 7 1.594 12.943 -1.784 1.00 0.00 H new ATOM 0 HA ALA A 7 2.562 10.703 -3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.336 12.450 -4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.688 12.794 -4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.071 13.695 -3.606 1.00 0.00 H new ATOM 173 N THR A 8 4.868 12.530 -1.767 1.00 0.00 N ATOM 174 CA THR A 8 6.297 12.483 -1.361 1.00 0.00 C ATOM 175 C THR A 8 6.501 11.437 -0.263 1.00 0.00 C ATOM 176 O THR A 8 7.524 10.786 -0.201 1.00 0.00 O ATOM 177 CB THR A 8 6.719 13.855 -0.843 1.00 0.00 C ATOM 178 OG1 THR A 8 6.086 14.108 0.403 1.00 0.00 O ATOM 179 CG2 THR A 8 6.315 14.931 -1.853 1.00 0.00 C ATOM 0 H THR A 8 4.348 13.344 -1.438 1.00 0.00 H new ATOM 0 HA THR A 8 6.904 12.211 -2.224 1.00 0.00 H new ATOM 0 HB THR A 8 7.801 13.874 -0.709 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.169 13.764 0.380 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.617 15.910 -1.482 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.806 14.737 -2.807 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.234 14.913 -1.991 1.00 0.00 H new ATOM 187 N LEU A 9 5.540 11.265 0.605 1.00 0.00 N ATOM 188 CA LEU A 9 5.701 10.256 1.687 1.00 0.00 C ATOM 189 C LEU A 9 6.027 8.907 1.052 1.00 0.00 C ATOM 190 O LEU A 9 6.924 8.201 1.475 1.00 0.00 O ATOM 191 CB LEU A 9 4.395 10.148 2.477 1.00 0.00 C ATOM 192 CG LEU A 9 4.594 9.217 3.674 1.00 0.00 C ATOM 193 CD1 LEU A 9 5.520 9.879 4.697 1.00 0.00 C ATOM 194 CD2 LEU A 9 3.239 8.934 4.325 1.00 0.00 C ATOM 0 H LEU A 9 4.657 11.776 0.611 1.00 0.00 H new ATOM 0 HA LEU A 9 6.505 10.553 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.083 11.135 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.601 9.767 1.835 1.00 0.00 H new ATOM 0 HG LEU A 9 5.042 8.283 3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.659 9.212 5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.486 10.083 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.076 10.814 5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.377 8.271 5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.794 9.871 4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.579 8.459 3.599 1.00 0.00 H new ATOM 206 N PHE A 10 5.316 8.558 0.021 1.00 0.00 N ATOM 207 CA PHE A 10 5.583 7.270 -0.669 1.00 0.00 C ATOM 208 C PHE A 10 6.991 7.302 -1.257 1.00 0.00 C ATOM 209 O PHE A 10 7.746 6.356 -1.149 1.00 0.00 O ATOM 210 CB PHE A 10 4.570 7.087 -1.800 1.00 0.00 C ATOM 211 CG PHE A 10 4.838 5.786 -2.518 1.00 0.00 C ATOM 212 CD1 PHE A 10 5.865 5.712 -3.466 1.00 0.00 C ATOM 213 CD2 PHE A 10 4.058 4.657 -2.241 1.00 0.00 C ATOM 214 CE1 PHE A 10 6.112 4.509 -4.139 1.00 0.00 C ATOM 215 CE2 PHE A 10 4.304 3.454 -2.917 1.00 0.00 C ATOM 216 CZ PHE A 10 5.332 3.382 -3.865 1.00 0.00 C ATOM 0 H PHE A 10 4.557 9.112 -0.376 1.00 0.00 H new ATOM 0 HA PHE A 10 5.497 6.446 0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.557 7.089 -1.398 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.637 7.920 -2.500 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.467 6.583 -3.679 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.268 4.713 -1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.905 4.452 -4.870 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.701 2.583 -2.707 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.522 2.455 -4.385 1.00 0.00 H new ATOM 226 N LYS A 11 7.339 8.384 -1.895 1.00 0.00 N ATOM 227 CA LYS A 11 8.684 8.491 -2.514 1.00 0.00 C ATOM 228 C LYS A 11 9.784 8.435 -1.453 1.00 0.00 C ATOM 229 O LYS A 11 10.863 7.928 -1.692 1.00 0.00 O ATOM 230 CB LYS A 11 8.791 9.818 -3.268 1.00 0.00 C ATOM 231 CG LYS A 11 7.801 9.834 -4.431 1.00 0.00 C ATOM 232 CD LYS A 11 8.009 11.102 -5.261 1.00 0.00 C ATOM 233 CE LYS A 11 6.939 11.179 -6.353 1.00 0.00 C ATOM 234 NZ LYS A 11 7.337 12.198 -7.365 1.00 0.00 N ATOM 0 H LYS A 11 6.743 9.203 -2.014 1.00 0.00 H new ATOM 0 HA LYS A 11 8.813 7.652 -3.198 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.586 10.648 -2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.806 9.954 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.942 8.951 -5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.779 9.797 -4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.954 11.982 -4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.002 11.097 -5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.818 10.206 -6.829 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.976 11.442 -5.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.611 12.252 -8.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.431 13.126 -6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.247 11.929 -7.790 1.00 0.00 H new ATOM 248 N THR A 12 9.542 8.990 -0.301 1.00 0.00 N ATOM 249 CA THR A 12 10.592 9.009 0.752 1.00 0.00 C ATOM 250 C THR A 12 10.545 7.753 1.628 1.00 0.00 C ATOM 251 O THR A 12 11.312 7.632 2.562 1.00 0.00 O ATOM 252 CB THR A 12 10.381 10.241 1.630 1.00 0.00 C ATOM 253 OG1 THR A 12 9.132 10.134 2.301 1.00 0.00 O ATOM 254 CG2 THR A 12 10.388 11.499 0.761 1.00 0.00 C ATOM 0 H THR A 12 8.660 9.433 -0.042 1.00 0.00 H new ATOM 0 HA THR A 12 11.566 9.038 0.264 1.00 0.00 H new ATOM 0 HB THR A 12 11.185 10.305 2.363 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.595 9.430 1.882 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.237 12.376 1.390 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.346 11.581 0.247 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.586 11.438 0.026 1.00 0.00 H new ATOM 262 N ARG A 13 9.657 6.825 1.372 1.00 0.00 N ATOM 263 CA ARG A 13 9.614 5.618 2.252 1.00 0.00 C ATOM 264 C ARG A 13 9.295 4.342 1.465 1.00 0.00 C ATOM 265 O ARG A 13 10.093 3.426 1.409 1.00 0.00 O ATOM 266 CB ARG A 13 8.546 5.823 3.323 1.00 0.00 C ATOM 267 CG ARG A 13 8.927 7.020 4.196 1.00 0.00 C ATOM 268 CD ARG A 13 7.928 7.156 5.345 1.00 0.00 C ATOM 269 NE ARG A 13 8.160 8.446 6.055 1.00 0.00 N ATOM 270 CZ ARG A 13 7.467 8.738 7.121 1.00 0.00 C ATOM 271 NH1 ARG A 13 6.568 7.901 7.564 1.00 0.00 N ATOM 272 NH2 ARG A 13 7.671 9.866 7.744 1.00 0.00 N ATOM 0 H ARG A 13 8.977 6.848 0.612 1.00 0.00 H new ATOM 0 HA ARG A 13 10.600 5.495 2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.575 5.993 2.857 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.453 4.927 3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.935 6.889 4.591 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.935 7.931 3.598 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.909 7.118 4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.039 6.322 6.038 1.00 0.00 H new ATOM 0 HE ARG A 13 8.861 9.101 5.707 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.408 7.019 7.077 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.026 8.129 8.397 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.373 10.520 7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.129 10.094 8.577 1.00 0.00 H new ATOM 286 N CYS A 14 8.130 4.251 0.890 1.00 0.00 N ATOM 287 CA CYS A 14 7.764 3.009 0.147 1.00 0.00 C ATOM 288 C CYS A 14 8.669 2.824 -1.077 1.00 0.00 C ATOM 289 O CYS A 14 8.866 1.720 -1.546 1.00 0.00 O ATOM 290 CB CYS A 14 6.299 3.079 -0.288 1.00 0.00 C ATOM 291 SG CYS A 14 5.307 4.009 0.924 1.00 0.00 S ATOM 0 H CYS A 14 7.416 4.979 0.901 1.00 0.00 H new ATOM 0 HA CYS A 14 7.902 2.153 0.808 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.228 3.556 -1.265 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.898 2.071 -0.395 1.00 0.00 H new ATOM 296 N LEU A 15 9.221 3.881 -1.602 1.00 0.00 N ATOM 297 CA LEU A 15 10.107 3.737 -2.797 1.00 0.00 C ATOM 298 C LEU A 15 11.263 2.785 -2.484 1.00 0.00 C ATOM 299 O LEU A 15 11.721 2.051 -3.337 1.00 0.00 O ATOM 300 CB LEU A 15 10.671 5.102 -3.187 1.00 0.00 C ATOM 301 CG LEU A 15 11.532 4.969 -4.448 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.653 4.570 -5.635 1.00 0.00 C ATOM 303 CD2 LEU A 15 12.203 6.312 -4.745 1.00 0.00 C ATOM 0 H LEU A 15 9.100 4.834 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 15 9.521 3.332 -3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.857 5.805 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.268 5.506 -2.369 1.00 0.00 H new ATOM 0 HG LEU A 15 12.291 4.204 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.269 4.477 -6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.170 3.615 -5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.892 5.333 -5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.817 6.222 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.439 7.073 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.832 6.599 -3.902 1.00 0.00 H new ATOM 315 N GLN A 16 11.752 2.802 -1.276 1.00 0.00 N ATOM 316 CA GLN A 16 12.893 1.911 -0.924 1.00 0.00 C ATOM 317 C GLN A 16 12.545 0.452 -1.232 1.00 0.00 C ATOM 318 O GLN A 16 13.383 -0.308 -1.676 1.00 0.00 O ATOM 319 CB GLN A 16 13.205 2.052 0.567 1.00 0.00 C ATOM 320 CG GLN A 16 13.686 3.476 0.856 1.00 0.00 C ATOM 321 CD GLN A 16 13.948 3.632 2.355 1.00 0.00 C ATOM 322 OE1 GLN A 16 13.506 2.823 3.148 1.00 0.00 O ATOM 323 NE2 GLN A 16 14.652 4.644 2.781 1.00 0.00 N ATOM 0 H GLN A 16 11.412 3.393 -0.518 1.00 0.00 H new ATOM 0 HA GLN A 16 13.762 2.200 -1.515 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.316 1.830 1.158 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.970 1.332 0.859 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.596 3.685 0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.937 4.197 0.530 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.023 5.323 2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.832 4.756 3.779 1.00 0.00 H new ATOM 332 N CYS A 17 11.323 0.048 -0.994 1.00 0.00 N ATOM 333 CA CYS A 17 10.941 -1.371 -1.269 1.00 0.00 C ATOM 334 C CYS A 17 9.955 -1.450 -2.434 1.00 0.00 C ATOM 335 O CYS A 17 10.050 -2.316 -3.281 1.00 0.00 O ATOM 336 CB CYS A 17 10.276 -1.967 -0.031 1.00 0.00 C ATOM 337 SG CYS A 17 11.468 -2.062 1.333 1.00 0.00 S ATOM 0 H CYS A 17 10.576 0.636 -0.623 1.00 0.00 H new ATOM 0 HA CYS A 17 11.844 -1.926 -1.524 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.423 -1.355 0.263 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.892 -2.961 -0.258 1.00 0.00 H new ATOM 342 N HIS A 18 8.991 -0.577 -2.467 1.00 0.00 N ATOM 343 CA HIS A 18 7.981 -0.634 -3.562 1.00 0.00 C ATOM 344 C HIS A 18 8.336 0.325 -4.691 1.00 0.00 C ATOM 345 O HIS A 18 8.914 1.367 -4.483 1.00 0.00 O ATOM 346 CB HIS A 18 6.611 -0.223 -3.028 1.00 0.00 C ATOM 347 CG HIS A 18 6.132 -1.196 -1.995 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.764 -2.499 -2.309 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.908 -1.052 -0.652 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.327 -3.078 -1.172 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.396 -2.231 -0.141 1.00 0.00 N ATOM 0 H HIS A 18 8.857 0.172 -1.787 1.00 0.00 H new ATOM 0 HA HIS A 18 7.967 -1.657 -3.937 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.669 0.776 -2.595 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.895 -0.174 -3.848 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.815 -2.936 -3.229 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.101 -0.156 -0.080 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.968 -4.094 -1.104 1.00 0.00 H new ATOM 359 N THR A 19 7.947 -0.015 -5.886 1.00 0.00 N ATOM 360 CA THR A 19 8.200 0.879 -7.046 1.00 0.00 C ATOM 361 C THR A 19 6.862 1.124 -7.743 1.00 0.00 C ATOM 362 O THR A 19 6.175 0.197 -8.122 1.00 0.00 O ATOM 363 CB THR A 19 9.168 0.210 -8.018 1.00 0.00 C ATOM 364 OG1 THR A 19 10.306 -0.258 -7.308 1.00 0.00 O ATOM 365 CG2 THR A 19 9.605 1.219 -9.080 1.00 0.00 C ATOM 0 H THR A 19 7.460 -0.883 -6.110 1.00 0.00 H new ATOM 0 HA THR A 19 8.640 1.819 -6.712 1.00 0.00 H new ATOM 0 HB THR A 19 8.672 -0.632 -8.502 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.927 -0.689 -7.932 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.296 0.741 -9.774 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.731 1.574 -9.626 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.100 2.063 -8.599 1.00 0.00 H new ATOM 373 N VAL A 20 6.474 2.354 -7.909 1.00 0.00 N ATOM 374 CA VAL A 20 5.171 2.628 -8.575 1.00 0.00 C ATOM 375 C VAL A 20 5.294 2.345 -10.073 1.00 0.00 C ATOM 376 O VAL A 20 4.319 2.079 -10.747 1.00 0.00 O ATOM 377 CB VAL A 20 4.781 4.087 -8.351 1.00 0.00 C ATOM 378 CG1 VAL A 20 4.632 4.351 -6.854 1.00 0.00 C ATOM 379 CG2 VAL A 20 5.873 4.994 -8.918 1.00 0.00 C ATOM 0 H VAL A 20 6.998 3.178 -7.615 1.00 0.00 H new ATOM 0 HA VAL A 20 4.401 1.983 -8.151 1.00 0.00 H new ATOM 0 HB VAL A 20 3.835 4.292 -8.852 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.354 5.393 -6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.858 3.702 -6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.578 4.147 -6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.598 6.037 -8.760 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.817 4.787 -8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.984 4.806 -9.986 1.00 0.00 H new ATOM 389 N GLU A 21 6.488 2.397 -10.598 1.00 0.00 N ATOM 390 CA GLU A 21 6.673 2.124 -12.051 1.00 0.00 C ATOM 391 C GLU A 21 6.122 0.736 -12.376 1.00 0.00 C ATOM 392 O GLU A 21 6.185 -0.172 -11.571 1.00 0.00 O ATOM 393 CB GLU A 21 8.162 2.178 -12.396 1.00 0.00 C ATOM 394 CG GLU A 21 8.696 3.585 -12.127 1.00 0.00 C ATOM 395 CD GLU A 21 10.171 3.656 -12.529 1.00 0.00 C ATOM 396 OE1 GLU A 21 10.737 2.616 -12.819 1.00 0.00 O ATOM 397 OE2 GLU A 21 10.709 4.751 -12.538 1.00 0.00 O ATOM 0 H GLU A 21 7.342 2.616 -10.084 1.00 0.00 H new ATOM 0 HA GLU A 21 6.141 2.875 -12.635 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.711 1.449 -11.800 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.314 1.914 -13.443 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.119 4.318 -12.690 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.583 3.833 -11.072 1.00 0.00 H new ATOM 404 N LYS A 22 5.577 0.563 -13.548 1.00 0.00 N ATOM 405 CA LYS A 22 5.020 -0.768 -13.917 1.00 0.00 C ATOM 406 C LYS A 22 6.161 -1.711 -14.305 1.00 0.00 C ATOM 407 O LYS A 22 7.051 -1.350 -15.050 1.00 0.00 O ATOM 408 CB LYS A 22 4.067 -0.609 -15.105 1.00 0.00 C ATOM 409 CG LYS A 22 2.876 0.259 -14.693 1.00 0.00 C ATOM 410 CD LYS A 22 1.871 0.329 -15.843 1.00 0.00 C ATOM 411 CE LYS A 22 0.743 1.295 -15.478 1.00 0.00 C ATOM 412 NZ LYS A 22 -0.154 1.479 -16.654 1.00 0.00 N ATOM 0 H LYS A 22 5.493 1.284 -14.265 1.00 0.00 H new ATOM 0 HA LYS A 22 4.479 -1.183 -13.067 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.590 -0.152 -15.945 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.719 -1.587 -15.439 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.400 -0.157 -13.805 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.216 1.261 -14.432 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.368 0.662 -16.754 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.464 -0.662 -16.045 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.176 0.906 -14.632 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.157 2.255 -15.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.921 2.136 -16.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.392 1.868 -17.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.559 0.561 -16.928 1.00 0.00 H new ATOM 426 N GLY A 23 6.142 -2.916 -13.806 1.00 0.00 N ATOM 427 CA GLY A 23 7.225 -3.881 -14.149 1.00 0.00 C ATOM 428 C GLY A 23 8.493 -3.526 -13.371 1.00 0.00 C ATOM 429 O GLY A 23 9.595 -3.669 -13.863 1.00 0.00 O ATOM 0 H GLY A 23 5.424 -3.274 -13.176 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.911 -4.897 -13.908 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.424 -3.854 -15.220 1.00 0.00 H new ATOM 433 N GLY A 24 8.348 -3.058 -12.162 1.00 0.00 N ATOM 434 CA GLY A 24 9.546 -2.691 -11.356 1.00 0.00 C ATOM 435 C GLY A 24 10.408 -3.936 -11.115 1.00 0.00 C ATOM 436 O GLY A 24 9.938 -5.053 -11.203 1.00 0.00 O ATOM 0 H GLY A 24 7.451 -2.914 -11.697 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.127 -1.930 -11.876 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.237 -2.261 -10.403 1.00 0.00 H new ATOM 440 N PRO A 25 11.667 -3.735 -10.828 1.00 0.00 N ATOM 441 CA PRO A 25 12.637 -4.847 -10.583 1.00 0.00 C ATOM 442 C PRO A 25 12.314 -5.680 -9.334 1.00 0.00 C ATOM 443 O PRO A 25 12.818 -6.773 -9.170 1.00 0.00 O ATOM 444 CB PRO A 25 13.983 -4.136 -10.409 1.00 0.00 C ATOM 445 CG PRO A 25 13.652 -2.725 -10.055 1.00 0.00 C ATOM 446 CD PRO A 25 12.305 -2.417 -10.701 1.00 0.00 C ATOM 0 HA PRO A 25 12.616 -5.563 -11.405 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.576 -4.607 -9.625 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.571 -4.182 -11.325 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.601 -2.599 -8.974 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.421 -2.044 -10.419 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.711 -1.743 -10.084 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.427 -1.937 -11.672 1.00 0.00 H new ATOM 454 N HIS A 26 11.498 -5.176 -8.446 1.00 0.00 N ATOM 455 CA HIS A 26 11.173 -5.955 -7.211 1.00 0.00 C ATOM 456 C HIS A 26 12.474 -6.305 -6.483 1.00 0.00 C ATOM 457 O HIS A 26 12.665 -7.421 -6.039 1.00 0.00 O ATOM 458 CB HIS A 26 10.450 -7.253 -7.583 1.00 0.00 C ATOM 459 CG HIS A 26 9.229 -6.948 -8.392 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.124 -6.298 -7.861 1.00 0.00 N ATOM 461 CD2 HIS A 26 8.919 -7.220 -9.694 1.00 0.00 C ATOM 462 CE1 HIS A 26 7.204 -6.203 -8.841 1.00 0.00 C ATOM 463 NE2 HIS A 26 7.643 -6.750 -9.977 1.00 0.00 N ATOM 0 H HIS A 26 11.044 -4.265 -8.520 1.00 0.00 H new ATOM 0 HA HIS A 26 10.529 -5.354 -6.569 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.119 -7.901 -8.150 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.171 -7.795 -6.679 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.026 -5.955 -6.905 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.567 -7.724 -10.396 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.234 -5.743 -8.722 1.00 0.00 H new ATOM 472 N LYS A 27 13.381 -5.372 -6.372 1.00 0.00 N ATOM 473 CA LYS A 27 14.675 -5.666 -5.691 1.00 0.00 C ATOM 474 C LYS A 27 14.427 -6.173 -4.267 1.00 0.00 C ATOM 475 O LYS A 27 14.989 -7.166 -3.848 1.00 0.00 O ATOM 476 CB LYS A 27 15.517 -4.391 -5.633 1.00 0.00 C ATOM 477 CG LYS A 27 16.890 -4.711 -5.040 1.00 0.00 C ATOM 478 CD LYS A 27 17.710 -3.425 -4.925 1.00 0.00 C ATOM 479 CE LYS A 27 19.136 -3.766 -4.491 1.00 0.00 C ATOM 480 NZ LYS A 27 19.670 -2.670 -3.633 1.00 0.00 N ATOM 0 H LYS A 27 13.282 -4.419 -6.723 1.00 0.00 H new ATOM 0 HA LYS A 27 15.202 -6.437 -6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.630 -3.972 -6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.014 -3.638 -5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.775 -5.171 -4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.411 -5.432 -5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.725 -2.904 -5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.250 -2.751 -4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.145 -4.708 -3.943 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.772 -3.900 -5.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.640 -2.902 -3.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.675 -1.780 -4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.068 -2.563 -2.792 1.00 0.00 H new ATOM 494 N VAL A 28 13.597 -5.504 -3.516 1.00 0.00 N ATOM 495 CA VAL A 28 13.327 -5.959 -2.121 1.00 0.00 C ATOM 496 C VAL A 28 12.026 -6.760 -2.082 1.00 0.00 C ATOM 497 O VAL A 28 12.031 -7.974 -2.030 1.00 0.00 O ATOM 498 CB VAL A 28 13.202 -4.744 -1.205 1.00 0.00 C ATOM 499 CG1 VAL A 28 13.039 -5.210 0.243 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.461 -3.883 -1.325 1.00 0.00 C ATOM 0 H VAL A 28 13.095 -4.665 -3.805 1.00 0.00 H new ATOM 0 HA VAL A 28 14.149 -6.589 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 28 12.331 -4.157 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.950 -4.342 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.142 -5.823 0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.909 -5.797 0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.372 -3.015 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.332 -4.470 -1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.577 -3.550 -2.356 1.00 0.00 H new ATOM 510 N GLY A 29 10.911 -6.083 -2.109 1.00 0.00 N ATOM 511 CA GLY A 29 9.595 -6.784 -2.075 1.00 0.00 C ATOM 512 C GLY A 29 8.820 -6.442 -3.341 1.00 0.00 C ATOM 513 O GLY A 29 9.224 -5.591 -4.109 1.00 0.00 O ATOM 0 H GLY A 29 10.854 -5.066 -2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.744 -7.861 -2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.030 -6.481 -1.194 1.00 0.00 H new ATOM 517 N PRO A 30 7.707 -7.088 -3.561 1.00 0.00 N ATOM 518 CA PRO A 30 6.876 -6.820 -4.756 1.00 0.00 C ATOM 519 C PRO A 30 6.635 -5.319 -4.907 1.00 0.00 C ATOM 520 O PRO A 30 6.553 -4.595 -3.934 1.00 0.00 O ATOM 521 CB PRO A 30 5.573 -7.581 -4.505 1.00 0.00 C ATOM 522 CG PRO A 30 5.860 -8.575 -3.421 1.00 0.00 C ATOM 523 CD PRO A 30 7.134 -8.127 -2.697 1.00 0.00 C ATOM 0 HA PRO A 30 7.352 -7.143 -5.682 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.778 -6.899 -4.205 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.237 -8.083 -5.412 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.024 -8.631 -2.723 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.991 -9.572 -3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.909 -7.737 -1.704 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.827 -8.958 -2.564 1.00 0.00 H new ATOM 531 N ASN A 31 6.573 -4.839 -6.111 1.00 0.00 N ATOM 532 CA ASN A 31 6.397 -3.379 -6.316 1.00 0.00 C ATOM 533 C ASN A 31 4.927 -2.976 -6.230 1.00 0.00 C ATOM 534 O ASN A 31 4.564 -1.857 -6.532 1.00 0.00 O ATOM 535 CB ASN A 31 6.998 -3.001 -7.661 1.00 0.00 C ATOM 536 CG ASN A 31 8.470 -3.414 -7.647 1.00 0.00 C ATOM 537 OD1 ASN A 31 9.040 -3.718 -8.674 1.00 0.00 O ATOM 538 ND2 ASN A 31 9.107 -3.455 -6.505 1.00 0.00 N ATOM 0 H ASN A 31 6.637 -5.394 -6.964 1.00 0.00 H new ATOM 0 HA ASN A 31 6.913 -2.838 -5.523 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.468 -3.503 -8.471 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.904 -1.929 -7.834 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.085 -3.743 -6.477 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.626 -3.199 -5.643 1.00 0.00 H new ATOM 545 N LEU A 32 4.086 -3.857 -5.776 1.00 0.00 N ATOM 546 CA LEU A 32 2.655 -3.494 -5.621 1.00 0.00 C ATOM 547 C LEU A 32 2.163 -2.737 -6.859 1.00 0.00 C ATOM 548 O LEU A 32 2.348 -3.167 -7.981 1.00 0.00 O ATOM 549 CB LEU A 32 2.553 -2.574 -4.406 1.00 0.00 C ATOM 550 CG LEU A 32 1.124 -2.546 -3.883 1.00 0.00 C ATOM 551 CD1 LEU A 32 0.924 -3.721 -2.925 1.00 0.00 C ATOM 552 CD2 LEU A 32 0.880 -1.231 -3.137 1.00 0.00 C ATOM 0 H LEU A 32 4.327 -4.811 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 32 2.048 -4.391 -5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.228 -2.919 -3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.868 -1.566 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 32 0.423 -2.624 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.097 -3.710 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.104 -4.657 -3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.622 -3.635 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.143 -1.210 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.575 -1.153 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.035 -0.393 -3.817 1.00 0.00 H new ATOM 564 N HIS A 33 1.547 -1.604 -6.651 1.00 0.00 N ATOM 565 CA HIS A 33 1.043 -0.785 -7.788 1.00 0.00 C ATOM 566 C HIS A 33 -0.003 -1.562 -8.591 1.00 0.00 C ATOM 567 O HIS A 33 0.309 -2.514 -9.278 1.00 0.00 O ATOM 568 CB HIS A 33 2.209 -0.411 -8.706 1.00 0.00 C ATOM 569 CG HIS A 33 1.764 0.651 -9.672 1.00 0.00 C ATOM 570 ND1 HIS A 33 1.480 1.949 -9.267 1.00 0.00 N ATOM 571 CD2 HIS A 33 1.544 0.625 -11.028 1.00 0.00 C ATOM 572 CE1 HIS A 33 1.110 2.643 -10.358 1.00 0.00 C ATOM 573 NE2 HIS A 33 1.132 1.883 -11.454 1.00 0.00 N ATOM 0 H HIS A 33 1.370 -1.207 -5.728 1.00 0.00 H new ATOM 0 HA HIS A 33 0.580 0.117 -7.388 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.051 -0.050 -8.115 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.555 -1.290 -9.249 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.671 -0.238 -11.664 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.830 3.686 -10.348 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.896 2.165 -12.405 1.00 0.00 H new ATOM 582 N GLY A 34 -1.240 -1.139 -8.537 1.00 0.00 N ATOM 583 CA GLY A 34 -2.299 -1.829 -9.327 1.00 0.00 C ATOM 584 C GLY A 34 -3.150 -2.757 -8.450 1.00 0.00 C ATOM 585 O GLY A 34 -4.035 -3.427 -8.943 1.00 0.00 O ATOM 0 H GLY A 34 -1.560 -0.347 -7.980 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.941 -1.086 -9.801 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.837 -2.408 -10.127 1.00 0.00 H new ATOM 589 N ILE A 35 -2.909 -2.817 -7.169 1.00 0.00 N ATOM 590 CA ILE A 35 -3.741 -3.724 -6.323 1.00 0.00 C ATOM 591 C ILE A 35 -5.096 -3.079 -6.018 1.00 0.00 C ATOM 592 O ILE A 35 -6.033 -3.749 -5.630 1.00 0.00 O ATOM 593 CB ILE A 35 -3.024 -4.046 -5.012 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.725 -2.755 -4.243 1.00 0.00 C ATOM 595 CG2 ILE A 35 -1.718 -4.778 -5.316 1.00 0.00 C ATOM 596 CD1 ILE A 35 -2.557 -3.078 -2.758 1.00 0.00 C ATOM 0 H ILE A 35 -2.187 -2.290 -6.677 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.901 -4.649 -6.877 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.665 -4.680 -4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.819 -2.289 -4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.536 -2.040 -4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.205 -5.009 -4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.935 -5.704 -5.849 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.081 -4.145 -5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.344 -2.161 -2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.475 -3.525 -2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.732 -3.778 -2.629 1.00 0.00 H new ATOM 608 N PHE A 36 -5.216 -1.789 -6.181 1.00 0.00 N ATOM 609 CA PHE A 36 -6.522 -1.137 -5.888 1.00 0.00 C ATOM 610 C PHE A 36 -7.601 -1.773 -6.766 1.00 0.00 C ATOM 611 O PHE A 36 -7.456 -1.877 -7.968 1.00 0.00 O ATOM 612 CB PHE A 36 -6.432 0.362 -6.191 1.00 0.00 C ATOM 613 CG PHE A 36 -5.767 1.090 -5.041 1.00 0.00 C ATOM 614 CD1 PHE A 36 -4.370 1.128 -4.939 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.554 1.740 -4.081 1.00 0.00 C ATOM 616 CE1 PHE A 36 -3.763 1.813 -3.879 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.947 2.427 -3.024 1.00 0.00 C ATOM 618 CZ PHE A 36 -4.552 2.462 -2.922 1.00 0.00 C ATOM 0 H PHE A 36 -4.475 -1.165 -6.501 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.772 -1.273 -4.836 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.865 0.521 -7.108 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.430 0.767 -6.359 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.761 0.629 -5.678 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.631 1.711 -4.157 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.686 1.841 -3.800 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.555 2.930 -2.287 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.084 2.990 -2.105 1.00 0.00 H new ATOM 628 N GLY A 37 -8.682 -2.205 -6.174 1.00 0.00 N ATOM 629 CA GLY A 37 -9.765 -2.844 -6.974 1.00 0.00 C ATOM 630 C GLY A 37 -9.394 -4.300 -7.260 1.00 0.00 C ATOM 631 O GLY A 37 -9.979 -4.945 -8.106 1.00 0.00 O ATOM 0 H GLY A 37 -8.861 -2.143 -5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.709 -2.798 -6.431 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.909 -2.303 -7.909 1.00 0.00 H new ATOM 635 N ARG A 38 -8.420 -4.818 -6.559 1.00 0.00 N ATOM 636 CA ARG A 38 -8.001 -6.232 -6.787 1.00 0.00 C ATOM 637 C ARG A 38 -7.877 -6.963 -5.456 1.00 0.00 C ATOM 638 O ARG A 38 -7.963 -6.379 -4.394 1.00 0.00 O ATOM 639 CB ARG A 38 -6.639 -6.267 -7.485 1.00 0.00 C ATOM 640 CG ARG A 38 -6.772 -5.806 -8.936 1.00 0.00 C ATOM 641 CD ARG A 38 -7.293 -6.958 -9.802 1.00 0.00 C ATOM 642 NE ARG A 38 -7.214 -6.571 -11.239 1.00 0.00 N ATOM 643 CZ ARG A 38 -8.146 -5.827 -11.767 1.00 0.00 C ATOM 644 NH1 ARG A 38 -9.149 -5.420 -11.036 1.00 0.00 N ATOM 645 NH2 ARG A 38 -8.076 -5.488 -13.026 1.00 0.00 N ATOM 0 H ARG A 38 -7.896 -4.322 -5.838 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.754 -6.717 -7.409 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.935 -5.625 -6.956 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.233 -7.278 -7.454 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.453 -4.957 -8.996 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.806 -5.467 -9.309 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.704 -7.857 -9.623 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.323 -7.193 -9.533 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.431 -6.888 -11.810 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.203 -5.684 -10.052 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.878 -4.838 -11.449 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.292 -5.805 -13.597 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.805 -4.906 -13.439 1.00 0.00 H new ATOM 659 N HIS A 39 -7.656 -8.244 -5.517 1.00 0.00 N ATOM 660 CA HIS A 39 -7.500 -9.041 -4.275 1.00 0.00 C ATOM 661 C HIS A 39 -6.023 -9.083 -3.898 1.00 0.00 C ATOM 662 O HIS A 39 -5.159 -9.181 -4.747 1.00 0.00 O ATOM 663 CB HIS A 39 -8.007 -10.461 -4.521 1.00 0.00 C ATOM 664 CG HIS A 39 -9.500 -10.495 -4.348 1.00 0.00 C ATOM 665 ND1 HIS A 39 -10.358 -9.911 -5.264 1.00 0.00 N ATOM 666 CD2 HIS A 39 -10.302 -11.040 -3.375 1.00 0.00 C ATOM 667 CE1 HIS A 39 -11.614 -10.117 -4.835 1.00 0.00 C ATOM 668 NE2 HIS A 39 -11.635 -10.799 -3.688 1.00 0.00 N ATOM 0 H HIS A 39 -7.576 -8.777 -6.383 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.073 -8.588 -3.466 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.739 -10.786 -5.526 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.533 -11.154 -3.825 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.952 -11.572 -2.503 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.497 -9.774 -5.354 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.456 -11.083 -3.154 1.00 0.00 H new ATOM 677 N SER A 40 -5.720 -9.000 -2.635 1.00 0.00 N ATOM 678 CA SER A 40 -4.295 -9.024 -2.219 1.00 0.00 C ATOM 679 C SER A 40 -3.628 -10.277 -2.774 1.00 0.00 C ATOM 680 O SER A 40 -4.194 -11.349 -2.776 1.00 0.00 O ATOM 681 CB SER A 40 -4.202 -9.036 -0.695 1.00 0.00 C ATOM 682 OG SER A 40 -2.963 -8.465 -0.295 1.00 0.00 O ATOM 0 H SER A 40 -6.396 -8.917 -1.876 1.00 0.00 H new ATOM 0 HA SER A 40 -3.792 -8.137 -2.605 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.031 -8.474 -0.264 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.282 -10.057 -0.322 1.00 0.00 H new ATOM 0 HG SER A 40 -2.814 -7.630 -0.786 1.00 0.00 H new ATOM 688 N GLY A 41 -2.423 -10.146 -3.239 1.00 0.00 N ATOM 689 CA GLY A 41 -1.708 -11.327 -3.789 1.00 0.00 C ATOM 690 C GLY A 41 -1.650 -11.244 -5.315 1.00 0.00 C ATOM 691 O GLY A 41 -0.971 -12.020 -5.956 1.00 0.00 O ATOM 0 H GLY A 41 -1.900 -9.271 -3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.698 -11.373 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.216 -12.243 -3.486 1.00 0.00 H new ATOM 695 N GLN A 42 -2.351 -10.315 -5.907 1.00 0.00 N ATOM 696 CA GLN A 42 -2.317 -10.207 -7.393 1.00 0.00 C ATOM 697 C GLN A 42 -1.357 -9.091 -7.818 1.00 0.00 C ATOM 698 O GLN A 42 -1.559 -7.932 -7.515 1.00 0.00 O ATOM 699 CB GLN A 42 -3.727 -9.907 -7.903 1.00 0.00 C ATOM 700 CG GLN A 42 -4.625 -11.105 -7.596 1.00 0.00 C ATOM 701 CD GLN A 42 -6.056 -10.805 -8.045 1.00 0.00 C ATOM 702 OE1 GLN A 42 -6.409 -9.663 -8.264 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.901 -11.789 -8.190 1.00 0.00 N ATOM 0 H GLN A 42 -2.941 -9.632 -5.431 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.966 -11.147 -7.819 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.119 -9.009 -7.425 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.708 -9.714 -8.976 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.252 -11.992 -8.107 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.607 -11.321 -6.528 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.604 -12.747 -8.006 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.858 -11.600 -8.487 1.00 0.00 H new ATOM 712 N ALA A 43 -0.317 -9.439 -8.530 1.00 0.00 N ATOM 713 CA ALA A 43 0.660 -8.409 -8.994 1.00 0.00 C ATOM 714 C ALA A 43 1.405 -8.935 -10.223 1.00 0.00 C ATOM 715 O ALA A 43 2.115 -9.919 -10.156 1.00 0.00 O ATOM 716 CB ALA A 43 1.673 -8.110 -7.887 1.00 0.00 C ATOM 0 H ALA A 43 -0.101 -10.395 -8.811 1.00 0.00 H new ATOM 0 HA ALA A 43 0.121 -7.496 -9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.381 -7.358 -8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.150 -7.736 -7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.211 -9.023 -7.630 1.00 0.00 H new ATOM 722 N GLU A 44 1.256 -8.281 -11.341 1.00 0.00 N ATOM 723 CA GLU A 44 1.961 -8.736 -12.569 1.00 0.00 C ATOM 724 C GLU A 44 3.464 -8.561 -12.371 1.00 0.00 C ATOM 725 O GLU A 44 4.260 -9.359 -12.825 1.00 0.00 O ATOM 726 CB GLU A 44 1.500 -7.903 -13.763 1.00 0.00 C ATOM 727 CG GLU A 44 0.029 -8.205 -14.055 1.00 0.00 C ATOM 728 CD GLU A 44 -0.128 -9.675 -14.451 1.00 0.00 C ATOM 729 OE1 GLU A 44 0.867 -10.281 -14.812 1.00 0.00 O ATOM 730 OE2 GLU A 44 -1.243 -10.167 -14.391 1.00 0.00 O ATOM 0 H GLU A 44 0.676 -7.450 -11.456 1.00 0.00 H new ATOM 0 HA GLU A 44 1.734 -9.785 -12.757 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.630 -6.842 -13.552 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.110 -8.131 -14.637 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.578 -7.989 -13.176 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.332 -7.562 -14.858 1.00 0.00 H new ATOM 737 N GLY A 45 3.860 -7.523 -11.686 1.00 0.00 N ATOM 738 CA GLY A 45 5.311 -7.301 -11.451 1.00 0.00 C ATOM 739 C GLY A 45 5.887 -8.521 -10.737 1.00 0.00 C ATOM 740 O GLY A 45 6.963 -8.988 -11.052 1.00 0.00 O ATOM 0 H GLY A 45 3.241 -6.821 -11.280 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.826 -7.140 -12.398 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.463 -6.405 -10.849 1.00 0.00 H new ATOM 744 N TYR A 46 5.170 -9.053 -9.784 1.00 0.00 N ATOM 745 CA TYR A 46 5.671 -10.253 -9.062 1.00 0.00 C ATOM 746 C TYR A 46 4.612 -10.767 -8.093 1.00 0.00 C ATOM 747 O TYR A 46 4.018 -10.015 -7.347 1.00 0.00 O ATOM 748 CB TYR A 46 6.945 -9.903 -8.290 1.00 0.00 C ATOM 749 CG TYR A 46 7.159 -10.917 -7.190 1.00 0.00 C ATOM 750 CD1 TYR A 46 7.141 -12.287 -7.478 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.368 -10.484 -5.876 1.00 0.00 C ATOM 752 CE1 TYR A 46 7.335 -13.221 -6.452 1.00 0.00 C ATOM 753 CE2 TYR A 46 7.561 -11.414 -4.850 1.00 0.00 C ATOM 754 CZ TYR A 46 7.546 -12.785 -5.138 1.00 0.00 C ATOM 755 OH TYR A 46 7.737 -13.704 -4.127 1.00 0.00 O ATOM 0 H TYR A 46 4.261 -8.708 -9.476 1.00 0.00 H new ATOM 0 HA TYR A 46 5.893 -11.032 -9.792 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.801 -9.895 -8.964 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.863 -8.902 -7.866 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.978 -12.624 -8.491 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.380 -9.427 -5.653 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.322 -14.278 -6.674 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.721 -11.076 -3.837 1.00 0.00 H new ATOM 0 HH TYR A 46 7.870 -13.233 -3.278 1.00 0.00 H new ATOM 765 N SER A 47 4.379 -12.050 -8.094 1.00 0.00 N ATOM 766 CA SER A 47 3.370 -12.617 -7.165 1.00 0.00 C ATOM 767 C SER A 47 3.855 -12.412 -5.732 1.00 0.00 C ATOM 768 O SER A 47 5.020 -12.576 -5.430 1.00 0.00 O ATOM 769 CB SER A 47 3.199 -14.111 -7.444 1.00 0.00 C ATOM 770 OG SER A 47 2.862 -14.296 -8.812 1.00 0.00 O ATOM 0 H SER A 47 4.844 -12.727 -8.698 1.00 0.00 H new ATOM 0 HA SER A 47 2.411 -12.118 -7.306 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.120 -14.645 -7.209 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.419 -14.525 -6.806 1.00 0.00 H new ATOM 0 HG SER A 47 2.753 -15.252 -8.996 1.00 0.00 H new ATOM 776 N TYR A 48 2.974 -12.050 -4.849 1.00 0.00 N ATOM 777 CA TYR A 48 3.380 -11.825 -3.434 1.00 0.00 C ATOM 778 C TYR A 48 3.842 -13.139 -2.798 1.00 0.00 C ATOM 779 O TYR A 48 4.072 -14.125 -3.472 1.00 0.00 O ATOM 780 CB TYR A 48 2.188 -11.284 -2.655 1.00 0.00 C ATOM 781 CG TYR A 48 1.804 -9.927 -3.196 1.00 0.00 C ATOM 782 CD1 TYR A 48 1.071 -9.825 -4.383 1.00 0.00 C ATOM 783 CD2 TYR A 48 2.183 -8.772 -2.506 1.00 0.00 C ATOM 784 CE1 TYR A 48 0.713 -8.566 -4.877 1.00 0.00 C ATOM 785 CE2 TYR A 48 1.824 -7.512 -2.999 1.00 0.00 C ATOM 786 CZ TYR A 48 1.087 -7.410 -4.184 1.00 0.00 C ATOM 787 OH TYR A 48 0.734 -6.169 -4.673 1.00 0.00 O ATOM 0 H TYR A 48 1.984 -11.899 -5.044 1.00 0.00 H new ATOM 0 HA TYR A 48 4.203 -11.111 -3.408 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.346 -11.971 -2.736 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.437 -11.208 -1.596 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.782 -10.718 -4.918 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.753 -8.852 -1.592 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.148 -8.487 -5.794 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.116 -6.620 -2.465 1.00 0.00 H new ATOM 0 HH TYR A 48 0.509 -6.244 -5.624 1.00 0.00 H new ATOM 797 N THR A 49 3.976 -13.154 -1.499 1.00 0.00 N ATOM 798 CA THR A 49 4.419 -14.393 -0.798 1.00 0.00 C ATOM 799 C THR A 49 3.282 -15.418 -0.813 1.00 0.00 C ATOM 800 O THR A 49 2.119 -15.068 -0.861 1.00 0.00 O ATOM 801 CB THR A 49 4.784 -14.056 0.650 1.00 0.00 C ATOM 802 OG1 THR A 49 5.752 -13.016 0.663 1.00 0.00 O ATOM 803 CG2 THR A 49 5.357 -15.298 1.335 1.00 0.00 C ATOM 0 H THR A 49 3.796 -12.356 -0.890 1.00 0.00 H new ATOM 0 HA THR A 49 5.290 -14.808 -1.305 1.00 0.00 H new ATOM 0 HB THR A 49 3.892 -13.728 1.184 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.985 -12.798 1.589 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.617 -15.058 2.366 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.613 -16.095 1.324 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.250 -15.628 0.803 1.00 0.00 H new ATOM 811 N ASP A 50 3.607 -16.680 -0.781 1.00 0.00 N ATOM 812 CA ASP A 50 2.548 -17.725 -0.804 1.00 0.00 C ATOM 813 C ASP A 50 1.509 -17.439 0.284 1.00 0.00 C ATOM 814 O ASP A 50 0.325 -17.612 0.080 1.00 0.00 O ATOM 815 CB ASP A 50 3.187 -19.090 -0.555 1.00 0.00 C ATOM 816 CG ASP A 50 4.065 -19.470 -1.748 1.00 0.00 C ATOM 817 OD1 ASP A 50 3.973 -18.800 -2.763 1.00 0.00 O ATOM 818 OD2 ASP A 50 4.815 -20.425 -1.627 1.00 0.00 O ATOM 0 H ASP A 50 4.563 -17.033 -0.740 1.00 0.00 H new ATOM 0 HA ASP A 50 2.054 -17.720 -1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.785 -19.062 0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.413 -19.843 -0.405 1.00 0.00 H new ATOM 823 N ALA A 51 1.936 -16.997 1.437 1.00 0.00 N ATOM 824 CA ALA A 51 0.953 -16.702 2.519 1.00 0.00 C ATOM 825 C ALA A 51 0.050 -15.553 2.072 1.00 0.00 C ATOM 826 O ALA A 51 -1.160 -15.629 2.153 1.00 0.00 O ATOM 827 CB ALA A 51 1.700 -16.299 3.794 1.00 0.00 C ATOM 0 H ALA A 51 2.914 -16.829 1.675 1.00 0.00 H new ATOM 0 HA ALA A 51 0.350 -17.588 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.981 -16.084 4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.351 -17.115 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.301 -15.411 3.598 1.00 0.00 H new ATOM 833 N ASN A 52 0.634 -14.495 1.587 1.00 0.00 N ATOM 834 CA ASN A 52 -0.172 -13.338 1.112 1.00 0.00 C ATOM 835 C ASN A 52 -1.124 -13.800 0.012 1.00 0.00 C ATOM 836 O ASN A 52 -2.280 -13.434 -0.021 1.00 0.00 O ATOM 837 CB ASN A 52 0.774 -12.274 0.552 1.00 0.00 C ATOM 838 CG ASN A 52 -0.023 -11.045 0.117 1.00 0.00 C ATOM 839 OD1 ASN A 52 -1.237 -11.036 0.188 1.00 0.00 O ATOM 840 ND2 ASN A 52 0.611 -9.998 -0.338 1.00 0.00 N ATOM 0 H ASN A 52 1.644 -14.381 1.499 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.749 -12.924 1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.508 -11.993 1.308 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.328 -12.677 -0.296 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.088 -9.174 -0.633 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.629 -10.005 -0.398 1.00 0.00 H new ATOM 847 N ILE A 53 -0.643 -14.604 -0.891 1.00 0.00 N ATOM 848 CA ILE A 53 -1.515 -15.092 -1.993 1.00 0.00 C ATOM 849 C ILE A 53 -2.561 -16.062 -1.436 1.00 0.00 C ATOM 850 O ILE A 53 -3.712 -16.031 -1.822 1.00 0.00 O ATOM 851 CB ILE A 53 -0.657 -15.794 -3.039 1.00 0.00 C ATOM 852 CG1 ILE A 53 0.372 -14.801 -3.587 1.00 0.00 C ATOM 853 CG2 ILE A 53 -1.544 -16.297 -4.178 1.00 0.00 C ATOM 854 CD1 ILE A 53 1.335 -15.532 -4.523 1.00 0.00 C ATOM 0 H ILE A 53 0.318 -14.945 -0.914 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.029 -14.248 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.144 -16.642 -2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.132 -13.996 -4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.923 -14.342 -2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.928 -16.798 -4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.280 -16.998 -3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.058 -15.453 -4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.068 -14.827 -4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.848 -16.321 -3.973 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.776 -15.970 -5.350 1.00 0.00 H new ATOM 866 N LYS A 54 -2.175 -16.918 -0.528 1.00 0.00 N ATOM 867 CA LYS A 54 -3.162 -17.874 0.048 1.00 0.00 C ATOM 868 C LYS A 54 -4.302 -17.084 0.688 1.00 0.00 C ATOM 869 O LYS A 54 -5.465 -17.376 0.493 1.00 0.00 O ATOM 870 CB LYS A 54 -2.480 -18.736 1.108 1.00 0.00 C ATOM 871 CG LYS A 54 -3.475 -19.764 1.647 1.00 0.00 C ATOM 872 CD LYS A 54 -2.811 -20.591 2.749 1.00 0.00 C ATOM 873 CE LYS A 54 -3.747 -21.724 3.172 1.00 0.00 C ATOM 874 NZ LYS A 54 -3.696 -21.885 4.653 1.00 0.00 N ATOM 0 H LYS A 54 -1.226 -16.996 -0.163 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.555 -18.518 -0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.615 -19.242 0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.113 -18.109 1.920 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.358 -19.260 2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.812 -20.416 0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.866 -21.000 2.392 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.580 -19.957 3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.766 -21.505 2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.454 -22.654 2.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.333 -22.656 4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.724 -22.112 4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.996 -21.000 5.109 1.00 0.00 H new ATOM 888 N LYS A 55 -3.969 -16.070 1.436 1.00 0.00 N ATOM 889 CA LYS A 55 -5.013 -15.234 2.079 1.00 0.00 C ATOM 890 C LYS A 55 -5.157 -13.942 1.277 1.00 0.00 C ATOM 891 O LYS A 55 -4.225 -13.174 1.160 1.00 0.00 O ATOM 892 CB LYS A 55 -4.575 -14.906 3.505 1.00 0.00 C ATOM 893 CG LYS A 55 -4.598 -16.178 4.354 1.00 0.00 C ATOM 894 CD LYS A 55 -4.266 -15.830 5.806 1.00 0.00 C ATOM 895 CE LYS A 55 -4.178 -17.114 6.633 1.00 0.00 C ATOM 896 NZ LYS A 55 -2.931 -17.096 7.448 1.00 0.00 N ATOM 0 H LYS A 55 -3.009 -15.784 1.629 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.966 -15.763 2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.572 -14.479 3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.238 -14.156 3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.580 -16.648 4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.877 -16.899 3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.321 -15.289 5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.032 -15.172 6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.049 -17.201 7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.183 -17.984 5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.871 -17.969 8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.106 -17.032 6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.945 -16.274 8.085 1.00 0.00 H new ATOM 910 N ASN A 56 -6.307 -13.693 0.712 1.00 0.00 N ATOM 911 CA ASN A 56 -6.468 -12.448 -0.089 1.00 0.00 C ATOM 912 C ASN A 56 -7.849 -11.835 0.125 1.00 0.00 C ATOM 913 O ASN A 56 -8.800 -12.505 0.478 1.00 0.00 O ATOM 914 CB ASN A 56 -6.291 -12.777 -1.568 1.00 0.00 C ATOM 915 CG ASN A 56 -7.447 -13.658 -2.040 1.00 0.00 C ATOM 916 OD1 ASN A 56 -8.184 -14.195 -1.238 1.00 0.00 O ATOM 917 ND2 ASN A 56 -7.640 -13.832 -3.319 1.00 0.00 N ATOM 0 H ASN A 56 -7.132 -14.290 0.769 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.715 -11.729 0.233 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.258 -11.858 -2.154 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.342 -13.290 -1.726 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.409 -14.418 -3.644 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.022 -13.382 -3.994 1.00 0.00 H new ATOM 924 N VAL A 57 -7.956 -10.553 -0.092 1.00 0.00 N ATOM 925 CA VAL A 57 -9.258 -9.861 0.085 1.00 0.00 C ATOM 926 C VAL A 57 -9.386 -8.752 -0.958 1.00 0.00 C ATOM 927 O VAL A 57 -8.431 -8.064 -1.261 1.00 0.00 O ATOM 928 CB VAL A 57 -9.314 -9.252 1.484 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.693 -8.639 1.725 1.00 0.00 C ATOM 930 CG2 VAL A 57 -9.045 -10.340 2.525 1.00 0.00 C ATOM 0 H VAL A 57 -7.187 -9.952 -0.387 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.075 -10.572 -0.039 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.556 -8.473 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.729 -8.206 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.880 -7.861 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.456 -9.413 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.085 -9.906 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.800 -11.121 2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.058 -10.770 2.355 1.00 0.00 H new ATOM 940 N LEU A 58 -10.557 -8.552 -1.499 1.00 0.00 N ATOM 941 CA LEU A 58 -10.714 -7.465 -2.502 1.00 0.00 C ATOM 942 C LEU A 58 -10.180 -6.178 -1.890 1.00 0.00 C ATOM 943 O LEU A 58 -10.295 -5.958 -0.700 1.00 0.00 O ATOM 944 CB LEU A 58 -12.189 -7.286 -2.855 1.00 0.00 C ATOM 945 CG LEU A 58 -12.338 -6.152 -3.874 1.00 0.00 C ATOM 946 CD1 LEU A 58 -11.665 -6.549 -5.189 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.824 -5.892 -4.125 1.00 0.00 C ATOM 0 H LEU A 58 -11.400 -9.087 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.166 -7.714 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.590 -8.213 -3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.764 -7.060 -1.957 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.866 -5.250 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.773 -5.740 -5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.606 -6.739 -5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -12.136 -7.451 -5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.935 -5.085 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.291 -6.797 -4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.307 -5.608 -3.190 1.00 0.00 H new ATOM 959 N TRP A 59 -9.581 -5.334 -2.681 1.00 0.00 N ATOM 960 CA TRP A 59 -9.026 -4.079 -2.121 1.00 0.00 C ATOM 961 C TRP A 59 -9.953 -2.896 -2.395 1.00 0.00 C ATOM 962 O TRP A 59 -10.593 -2.807 -3.424 1.00 0.00 O ATOM 963 CB TRP A 59 -7.655 -3.817 -2.735 1.00 0.00 C ATOM 964 CG TRP A 59 -6.632 -4.620 -2.002 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.814 -5.544 -2.561 1.00 0.00 C ATOM 966 CD2 TRP A 59 -6.313 -4.598 -0.579 1.00 0.00 C ATOM 967 NE1 TRP A 59 -5.001 -6.073 -1.573 1.00 0.00 N ATOM 968 CE2 TRP A 59 -5.276 -5.525 -0.336 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.817 -3.866 0.516 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.754 -5.721 0.940 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -6.295 -4.064 1.802 1.00 0.00 C ATOM 972 CH2 TRP A 59 -5.264 -4.989 2.014 1.00 0.00 C ATOM 0 H TRP A 59 -9.454 -5.460 -3.685 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.934 -4.191 -1.041 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.658 -4.086 -3.791 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.413 -2.756 -2.677 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.799 -5.822 -3.605 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.286 -6.781 -1.739 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.610 -3.149 0.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.959 -6.435 1.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.690 -3.500 2.634 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.864 -5.135 3.007 1.00 0.00 H new ATOM 983 N ASP A 60 -10.012 -1.984 -1.465 1.00 0.00 N ATOM 984 CA ASP A 60 -10.875 -0.782 -1.623 1.00 0.00 C ATOM 985 C ASP A 60 -10.185 0.398 -0.937 1.00 0.00 C ATOM 986 O ASP A 60 -9.235 0.225 -0.200 1.00 0.00 O ATOM 987 CB ASP A 60 -12.235 -1.035 -0.971 1.00 0.00 C ATOM 988 CG ASP A 60 -13.194 0.101 -1.332 1.00 0.00 C ATOM 989 OD1 ASP A 60 -12.811 0.943 -2.127 1.00 0.00 O ATOM 990 OD2 ASP A 60 -14.296 0.108 -0.808 1.00 0.00 O ATOM 0 H ASP A 60 -9.490 -2.022 -0.589 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.028 -0.565 -2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.640 -1.989 -1.309 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.124 -1.102 0.111 1.00 0.00 H new ATOM 995 N GLU A 61 -10.639 1.595 -1.174 1.00 0.00 N ATOM 996 CA GLU A 61 -9.984 2.769 -0.532 1.00 0.00 C ATOM 997 C GLU A 61 -10.013 2.604 0.990 1.00 0.00 C ATOM 998 O GLU A 61 -9.068 2.937 1.678 1.00 0.00 O ATOM 999 CB GLU A 61 -10.741 4.043 -0.911 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.658 4.260 -2.423 1.00 0.00 C ATOM 1001 CD GLU A 61 -11.373 5.564 -2.787 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.998 6.137 -1.910 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -11.283 5.965 -3.934 1.00 0.00 O ATOM 0 H GLU A 61 -11.430 1.812 -1.780 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.951 2.837 -0.874 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.783 3.964 -0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.317 4.899 -0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.616 4.303 -2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.116 3.422 -2.948 1.00 0.00 H new ATOM 1010 N ASN A 62 -11.092 2.100 1.521 1.00 0.00 N ATOM 1011 CA ASN A 62 -11.183 1.922 2.999 1.00 0.00 C ATOM 1012 C ASN A 62 -10.368 0.701 3.440 1.00 0.00 C ATOM 1013 O ASN A 62 -9.641 0.748 4.412 1.00 0.00 O ATOM 1014 CB ASN A 62 -12.646 1.721 3.396 1.00 0.00 C ATOM 1015 CG ASN A 62 -13.461 2.949 2.983 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -14.516 2.822 2.393 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -13.013 4.140 3.269 1.00 0.00 N ATOM 0 H ASN A 62 -11.915 1.803 0.996 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.783 2.811 3.487 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.045 0.828 2.915 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.724 1.565 4.472 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.548 4.965 2.998 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -12.128 4.247 3.764 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.494 -0.396 2.744 1.00 0.00 N ATOM 1025 CA ASN A 63 -9.740 -1.622 3.138 1.00 0.00 C ATOM 1026 C ASN A 63 -8.233 -1.363 3.074 1.00 0.00 C ATOM 1027 O ASN A 63 -7.489 -1.750 3.955 1.00 0.00 O ATOM 1028 CB ASN A 63 -10.098 -2.766 2.187 1.00 0.00 C ATOM 1029 CG ASN A 63 -9.566 -4.084 2.749 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -9.063 -4.128 3.854 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -9.657 -5.170 2.031 1.00 0.00 N ATOM 0 H ASN A 63 -11.086 -0.497 1.920 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.010 -1.890 4.159 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.179 -2.823 2.061 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.671 -2.580 1.201 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.306 -6.055 2.398 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.079 -5.134 1.103 1.00 0.00 H new ATOM 1038 N MET A 64 -7.775 -0.720 2.040 1.00 0.00 N ATOM 1039 CA MET A 64 -6.317 -0.450 1.924 1.00 0.00 C ATOM 1040 C MET A 64 -5.855 0.445 3.074 1.00 0.00 C ATOM 1041 O MET A 64 -4.761 0.297 3.577 1.00 0.00 O ATOM 1042 CB MET A 64 -6.026 0.230 0.585 1.00 0.00 C ATOM 1043 CG MET A 64 -6.170 -0.783 -0.553 1.00 0.00 C ATOM 1044 SD MET A 64 -5.289 -0.174 -2.008 1.00 0.00 S ATOM 1045 CE MET A 64 -3.609 -0.380 -1.355 1.00 0.00 C ATOM 0 H MET A 64 -8.346 -0.370 1.271 1.00 0.00 H new ATOM 0 HA MET A 64 -5.774 -1.394 1.974 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.713 1.062 0.432 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.018 0.645 0.589 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.768 -1.749 -0.248 1.00 0.00 H new ATOM 0 HG3 MET A 64 -7.223 -0.936 -0.789 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.893 -0.353 -2.177 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.389 0.426 -0.655 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.534 -1.338 -0.840 1.00 0.00 H new ATOM 1055 N SER A 65 -6.669 1.370 3.498 1.00 0.00 N ATOM 1056 CA SER A 65 -6.250 2.261 4.615 1.00 0.00 C ATOM 1057 C SER A 65 -5.937 1.413 5.849 1.00 0.00 C ATOM 1058 O SER A 65 -5.049 1.724 6.621 1.00 0.00 O ATOM 1059 CB SER A 65 -7.378 3.238 4.939 1.00 0.00 C ATOM 1060 OG SER A 65 -8.475 2.524 5.495 1.00 0.00 O ATOM 0 H SER A 65 -7.601 1.547 3.122 1.00 0.00 H new ATOM 0 HA SER A 65 -5.361 2.820 4.322 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.028 3.994 5.642 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.691 3.762 4.036 1.00 0.00 H new ATOM 0 HG SER A 65 -8.841 1.912 4.823 1.00 0.00 H new ATOM 1066 N GLU A 66 -6.653 0.339 6.040 1.00 0.00 N ATOM 1067 CA GLU A 66 -6.386 -0.523 7.224 1.00 0.00 C ATOM 1068 C GLU A 66 -4.993 -1.143 7.097 1.00 0.00 C ATOM 1069 O GLU A 66 -4.254 -1.229 8.057 1.00 0.00 O ATOM 1070 CB GLU A 66 -7.434 -1.635 7.292 1.00 0.00 C ATOM 1071 CG GLU A 66 -8.815 -1.021 7.530 1.00 0.00 C ATOM 1072 CD GLU A 66 -9.854 -2.137 7.666 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -9.506 -3.278 7.413 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -10.980 -1.830 8.023 1.00 0.00 O ATOM 0 H GLU A 66 -7.407 0.023 5.431 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.436 0.079 8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.434 -2.207 6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.190 -2.330 8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.802 -0.410 8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.079 -0.362 6.703 1.00 0.00 H new ATOM 1081 N TYR A 67 -4.625 -1.573 5.919 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.276 -2.183 5.745 1.00 0.00 C ATOM 1083 C TYR A 67 -2.195 -1.129 5.997 1.00 0.00 C ATOM 1084 O TYR A 67 -1.185 -1.397 6.612 1.00 0.00 O ATOM 1085 CB TYR A 67 -3.122 -2.722 4.324 1.00 0.00 C ATOM 1086 CG TYR A 67 -1.806 -3.455 4.223 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -0.625 -2.738 3.999 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -1.763 -4.848 4.372 1.00 0.00 C ATOM 1089 CE1 TYR A 67 0.599 -3.413 3.922 1.00 0.00 C ATOM 1090 CE2 TYR A 67 -0.538 -5.522 4.295 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.643 -4.805 4.069 1.00 0.00 C ATOM 1092 OH TYR A 67 1.851 -5.468 3.994 1.00 0.00 O ATOM 0 H TYR A 67 -5.197 -1.528 5.075 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.168 -3.001 6.457 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.947 -3.392 4.083 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.155 -1.904 3.604 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.658 -1.664 3.886 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.674 -5.401 4.546 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.510 -2.860 3.749 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.504 -6.595 4.410 1.00 0.00 H new ATOM 0 HH TYR A 67 1.734 -6.306 3.499 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.395 0.067 5.517 1.00 0.00 N ATOM 1103 CA LEU A 68 -1.375 1.130 5.722 1.00 0.00 C ATOM 1104 C LEU A 68 -1.043 1.252 7.209 1.00 0.00 C ATOM 1105 O LEU A 68 0.082 1.519 7.580 1.00 0.00 O ATOM 1106 CB LEU A 68 -1.925 2.456 5.202 1.00 0.00 C ATOM 1107 CG LEU A 68 -2.184 2.341 3.699 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -2.870 3.611 3.199 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -0.854 2.164 2.961 1.00 0.00 C ATOM 0 H LEU A 68 -3.221 0.353 4.992 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.465 0.874 5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.848 2.710 5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.216 3.260 5.400 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.825 1.480 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.054 3.528 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.818 3.742 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.228 4.471 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.040 2.082 1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.214 3.025 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.360 1.259 3.314 1.00 0.00 H new ATOM 1121 N THR A 69 -2.006 1.057 8.066 1.00 0.00 N ATOM 1122 CA THR A 69 -1.729 1.160 9.521 1.00 0.00 C ATOM 1123 C THR A 69 -0.553 0.248 9.880 1.00 0.00 C ATOM 1124 O THR A 69 0.323 0.616 10.637 1.00 0.00 O ATOM 1125 CB THR A 69 -2.973 0.727 10.294 1.00 0.00 C ATOM 1126 OG1 THR A 69 -4.087 1.498 9.866 1.00 0.00 O ATOM 1127 CG2 THR A 69 -2.744 0.941 11.785 1.00 0.00 C ATOM 0 H THR A 69 -2.970 0.831 7.820 1.00 0.00 H new ATOM 0 HA THR A 69 -1.477 2.188 9.780 1.00 0.00 H new ATOM 0 HB THR A 69 -3.170 -0.329 10.107 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.886 1.220 10.360 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.631 0.632 12.337 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.889 0.348 12.111 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.547 1.996 11.975 1.00 0.00 H new ATOM 1135 N ASN A 70 -0.520 -0.935 9.331 1.00 0.00 N ATOM 1136 CA ASN A 70 0.604 -1.868 9.627 1.00 0.00 C ATOM 1137 C ASN A 70 0.722 -2.887 8.490 1.00 0.00 C ATOM 1138 O ASN A 70 -0.218 -3.125 7.760 1.00 0.00 O ATOM 1139 CB ASN A 70 0.340 -2.594 10.949 1.00 0.00 C ATOM 1140 CG ASN A 70 1.635 -3.243 11.441 1.00 0.00 C ATOM 1141 OD1 ASN A 70 2.686 -3.043 10.867 1.00 0.00 O ATOM 1142 ND2 ASN A 70 1.603 -4.020 12.490 1.00 0.00 N ATOM 0 H ASN A 70 -1.225 -1.297 8.688 1.00 0.00 H new ATOM 0 HA ASN A 70 1.534 -1.306 9.712 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.033 -1.891 11.694 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.431 -3.353 10.812 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.460 -4.458 12.826 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.721 -4.189 12.973 1.00 0.00 H new ATOM 1149 N HIS A 71 1.868 -3.487 8.327 1.00 0.00 N ATOM 1150 CA HIS A 71 2.033 -4.481 7.228 1.00 0.00 C ATOM 1151 C HIS A 71 1.420 -5.823 7.640 1.00 0.00 C ATOM 1152 O HIS A 71 1.494 -6.227 8.783 1.00 0.00 O ATOM 1153 CB HIS A 71 3.523 -4.677 6.932 1.00 0.00 C ATOM 1154 CG HIS A 71 3.965 -3.717 5.859 1.00 0.00 C ATOM 1155 ND1 HIS A 71 4.251 -2.383 6.127 1.00 0.00 N ATOM 1156 CD2 HIS A 71 4.190 -3.886 4.512 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.629 -1.808 4.968 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.609 -2.681 3.962 1.00 0.00 N ATOM 0 H HIS A 71 2.695 -3.334 8.904 1.00 0.00 H new ATOM 0 HA HIS A 71 1.526 -4.111 6.337 1.00 0.00 H new ATOM 0 HB2 HIS A 71 4.107 -4.516 7.838 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.707 -5.703 6.612 1.00 0.00 H new ATOM 0 HD1 HIS A 71 4.187 -1.923 7.035 1.00 0.00 H new ATOM 0 HD2 HIS A 71 4.061 -4.810 3.968 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.912 -0.771 4.868 1.00 0.00 H new ATOM 1166 N ALA A 72 0.824 -6.517 6.706 1.00 0.00 N ATOM 1167 CA ALA A 72 0.210 -7.843 7.016 1.00 0.00 C ATOM 1168 C ALA A 72 -0.955 -7.683 7.998 1.00 0.00 C ATOM 1169 O ALA A 72 -1.432 -8.647 8.562 1.00 0.00 O ATOM 1170 CB ALA A 72 1.266 -8.761 7.631 1.00 0.00 C ATOM 0 H ALA A 72 0.735 -6.220 5.734 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.168 -8.277 6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.819 -9.729 7.858 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.086 -8.896 6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.647 -8.313 8.549 1.00 0.00 H new ATOM 1176 N LYS A 73 -1.421 -6.483 8.212 1.00 0.00 N ATOM 1177 CA LYS A 73 -2.554 -6.297 9.164 1.00 0.00 C ATOM 1178 C LYS A 73 -3.776 -7.076 8.671 1.00 0.00 C ATOM 1179 O LYS A 73 -4.453 -7.735 9.436 1.00 0.00 O ATOM 1180 CB LYS A 73 -2.914 -4.814 9.258 1.00 0.00 C ATOM 1181 CG LYS A 73 -3.960 -4.619 10.357 1.00 0.00 C ATOM 1182 CD LYS A 73 -4.367 -3.146 10.422 1.00 0.00 C ATOM 1183 CE LYS A 73 -5.283 -2.922 11.627 1.00 0.00 C ATOM 1184 NZ LYS A 73 -5.858 -1.549 11.564 1.00 0.00 N ATOM 0 H LYS A 73 -1.071 -5.631 7.774 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.255 -6.664 10.146 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.024 -4.225 9.478 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.302 -4.461 8.303 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.833 -5.240 10.156 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.556 -4.938 11.318 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.481 -2.516 10.503 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.879 -2.858 9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.082 -3.663 11.633 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.722 -3.051 12.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.481 -1.396 12.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.089 -0.849 11.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.407 -1.442 10.687 1.00 0.00 H new ATOM 1198 N TYR A 74 -4.067 -7.005 7.401 1.00 0.00 N ATOM 1199 CA TYR A 74 -5.247 -7.739 6.864 1.00 0.00 C ATOM 1200 C TYR A 74 -4.810 -9.118 6.370 1.00 0.00 C ATOM 1201 O TYR A 74 -5.619 -10.003 6.172 1.00 0.00 O ATOM 1202 CB TYR A 74 -5.853 -6.947 5.703 1.00 0.00 C ATOM 1203 CG TYR A 74 -7.356 -6.911 5.849 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -7.937 -6.218 6.919 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -8.168 -7.567 4.917 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -9.329 -6.183 7.057 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -9.560 -7.531 5.054 1.00 0.00 C ATOM 1208 CZ TYR A 74 -10.141 -6.840 6.125 1.00 0.00 C ATOM 1209 OH TYR A 74 -11.514 -6.805 6.261 1.00 0.00 O ATOM 0 H TYR A 74 -3.538 -6.470 6.712 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.991 -7.857 7.651 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.453 -5.933 5.693 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.580 -7.407 4.753 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.310 -5.711 7.638 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.720 -8.101 4.092 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.777 -5.649 7.882 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -10.187 -8.036 4.334 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.928 -7.310 5.530 1.00 0.00 H new ATOM 1219 N ILE A 75 -3.533 -9.305 6.169 1.00 0.00 N ATOM 1220 CA ILE A 75 -3.030 -10.623 5.686 1.00 0.00 C ATOM 1221 C ILE A 75 -1.921 -11.119 6.620 1.00 0.00 C ATOM 1222 O ILE A 75 -0.747 -10.983 6.338 1.00 0.00 O ATOM 1223 CB ILE A 75 -2.473 -10.472 4.264 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -2.382 -8.989 3.897 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -3.390 -11.183 3.269 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -1.504 -8.833 2.656 1.00 0.00 C ATOM 0 H ILE A 75 -2.814 -8.598 6.319 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.849 -11.343 5.679 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.479 -10.918 4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.377 -8.587 3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.963 -8.421 4.728 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.989 -11.072 2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.450 -12.242 3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.386 -10.743 3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.435 -7.778 2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.507 -9.220 2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.943 -9.389 1.828 1.00 0.00 H new ATOM 1238 N PRO A 76 -2.294 -11.689 7.733 1.00 0.00 N ATOM 1239 CA PRO A 76 -1.320 -12.217 8.729 1.00 0.00 C ATOM 1240 C PRO A 76 -0.467 -13.350 8.154 1.00 0.00 C ATOM 1241 O PRO A 76 -0.921 -14.131 7.340 1.00 0.00 O ATOM 1242 CB PRO A 76 -2.189 -12.735 9.881 1.00 0.00 C ATOM 1243 CG PRO A 76 -3.554 -12.165 9.659 1.00 0.00 C ATOM 1244 CD PRO A 76 -3.681 -11.891 8.163 1.00 0.00 C ATOM 0 HA PRO A 76 -0.614 -11.447 9.041 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.218 -13.825 9.888 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.787 -12.421 10.844 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.323 -12.863 9.991 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.688 -11.248 10.232 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.146 -12.727 7.640 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.294 -11.012 7.967 1.00 0.00 H new ATOM 1252 N GLY A 77 0.764 -13.441 8.569 1.00 0.00 N ATOM 1253 CA GLY A 77 1.648 -14.519 8.047 1.00 0.00 C ATOM 1254 C GLY A 77 2.497 -13.967 6.902 1.00 0.00 C ATOM 1255 O GLY A 77 3.378 -14.633 6.395 1.00 0.00 O ATOM 0 H GLY A 77 1.197 -12.815 9.248 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.291 -14.895 8.843 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.048 -15.359 7.698 1.00 0.00 H new ATOM 1259 N THR A 78 2.244 -12.753 6.492 1.00 0.00 N ATOM 1260 CA THR A 78 3.045 -12.168 5.383 1.00 0.00 C ATOM 1261 C THR A 78 4.273 -11.455 5.953 1.00 0.00 C ATOM 1262 O THR A 78 4.414 -11.297 7.149 1.00 0.00 O ATOM 1263 CB THR A 78 2.191 -11.183 4.585 1.00 0.00 C ATOM 1264 OG1 THR A 78 1.713 -10.160 5.445 1.00 0.00 O ATOM 1265 CG2 THR A 78 1.013 -11.925 3.955 1.00 0.00 C ATOM 0 H THR A 78 1.521 -12.145 6.876 1.00 0.00 H new ATOM 0 HA THR A 78 3.373 -12.967 4.719 1.00 0.00 H new ATOM 0 HB THR A 78 2.795 -10.733 3.797 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.787 -10.354 5.702 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.403 -11.223 3.386 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.387 -12.703 3.290 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.407 -12.378 4.739 1.00 0.00 H new ATOM 1273 N LYS A 79 5.169 -11.039 5.101 1.00 0.00 N ATOM 1274 CA LYS A 79 6.401 -10.353 5.582 1.00 0.00 C ATOM 1275 C LYS A 79 6.051 -8.960 6.117 1.00 0.00 C ATOM 1276 O LYS A 79 5.215 -8.265 5.573 1.00 0.00 O ATOM 1277 CB LYS A 79 7.373 -10.201 4.412 1.00 0.00 C ATOM 1278 CG LYS A 79 7.713 -11.577 3.834 1.00 0.00 C ATOM 1279 CD LYS A 79 8.739 -11.413 2.710 1.00 0.00 C ATOM 1280 CE LYS A 79 8.909 -12.742 1.970 1.00 0.00 C ATOM 1281 NZ LYS A 79 10.325 -13.195 2.083 1.00 0.00 N ATOM 0 H LYS A 79 5.101 -11.145 4.089 1.00 0.00 H new ATOM 0 HA LYS A 79 6.853 -10.944 6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.930 -9.572 3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.283 -9.703 4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.112 -12.224 4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.812 -12.057 3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.412 -10.638 2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.695 -11.090 3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.241 -13.493 2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.636 -12.624 0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.442 -14.098 1.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.953 -12.481 1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.570 -13.323 3.086 1.00 0.00 H new ATOM 1295 N MET A 80 6.698 -8.545 7.173 1.00 0.00 N ATOM 1296 CA MET A 80 6.428 -7.194 7.747 1.00 0.00 C ATOM 1297 C MET A 80 7.761 -6.475 7.959 1.00 0.00 C ATOM 1298 O MET A 80 8.795 -7.103 8.085 1.00 0.00 O ATOM 1299 CB MET A 80 5.707 -7.340 9.088 1.00 0.00 C ATOM 1300 CG MET A 80 4.329 -7.964 8.864 1.00 0.00 C ATOM 1301 SD MET A 80 3.411 -7.978 10.424 1.00 0.00 S ATOM 1302 CE MET A 80 4.579 -8.990 11.366 1.00 0.00 C ATOM 0 H MET A 80 7.407 -9.088 7.666 1.00 0.00 H new ATOM 0 HA MET A 80 5.800 -6.621 7.065 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.294 -7.963 9.762 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.603 -6.365 9.564 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.780 -7.398 8.112 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.436 -8.980 8.483 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.056 -9.480 12.187 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.016 -9.745 10.712 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.370 -8.355 11.766 1.00 0.00 H new ATOM 1312 N ALA A 81 7.763 -5.169 7.998 1.00 0.00 N ATOM 1313 CA ALA A 81 9.055 -4.452 8.202 1.00 0.00 C ATOM 1314 C ALA A 81 8.816 -2.960 8.459 1.00 0.00 C ATOM 1315 O ALA A 81 9.413 -2.379 9.344 1.00 0.00 O ATOM 1316 CB ALA A 81 9.923 -4.616 6.953 1.00 0.00 C ATOM 0 H ALA A 81 6.939 -4.575 7.899 1.00 0.00 H new ATOM 0 HA ALA A 81 9.558 -4.878 9.070 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.869 -4.094 7.096 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.115 -5.675 6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.404 -4.196 6.091 1.00 0.00 H new ATOM 1322 N PHE A 82 7.974 -2.324 7.690 1.00 0.00 N ATOM 1323 CA PHE A 82 7.746 -0.866 7.908 1.00 0.00 C ATOM 1324 C PHE A 82 7.111 -0.628 9.285 1.00 0.00 C ATOM 1325 O PHE A 82 7.799 -0.436 10.268 1.00 0.00 O ATOM 1326 CB PHE A 82 6.823 -0.309 6.821 1.00 0.00 C ATOM 1327 CG PHE A 82 6.782 1.189 6.951 1.00 0.00 C ATOM 1328 CD1 PHE A 82 7.768 1.970 6.337 1.00 0.00 C ATOM 1329 CD2 PHE A 82 5.771 1.799 7.697 1.00 0.00 C ATOM 1330 CE1 PHE A 82 7.738 3.361 6.468 1.00 0.00 C ATOM 1331 CE2 PHE A 82 5.743 3.187 7.828 1.00 0.00 C ATOM 1332 CZ PHE A 82 6.725 3.970 7.213 1.00 0.00 C ATOM 0 H PHE A 82 7.440 -2.744 6.929 1.00 0.00 H new ATOM 0 HA PHE A 82 8.708 -0.355 7.862 1.00 0.00 H new ATOM 0 HB2 PHE A 82 7.186 -0.594 5.833 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.821 -0.726 6.925 1.00 0.00 H new ATOM 0 HD1 PHE A 82 8.551 1.498 5.762 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.011 1.196 8.172 1.00 0.00 H new ATOM 0 HE1 PHE A 82 8.497 3.965 5.994 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.961 3.658 8.406 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.700 5.045 7.314 1.00 0.00 H new ATOM 1342 N GLY A 83 5.804 -0.632 9.365 1.00 0.00 N ATOM 1343 CA GLY A 83 5.134 -0.399 10.679 1.00 0.00 C ATOM 1344 C GLY A 83 5.449 1.015 11.178 1.00 0.00 C ATOM 1345 O GLY A 83 6.148 1.192 12.157 1.00 0.00 O ATOM 0 H GLY A 83 5.174 -0.786 8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.056 -0.527 10.576 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.474 -1.136 11.407 1.00 0.00 H new ATOM 1349 N GLY A 84 4.952 2.029 10.514 1.00 0.00 N ATOM 1350 CA GLY A 84 5.248 3.422 10.969 1.00 0.00 C ATOM 1351 C GLY A 84 4.034 4.338 10.759 1.00 0.00 C ATOM 1352 O GLY A 84 3.887 5.340 11.430 1.00 0.00 O ATOM 0 H GLY A 84 4.361 1.955 9.686 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.524 3.413 12.024 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.104 3.814 10.419 1.00 0.00 H new ATOM 1356 N LEU A 85 3.174 4.023 9.829 1.00 0.00 N ATOM 1357 CA LEU A 85 1.992 4.896 9.580 1.00 0.00 C ATOM 1358 C LEU A 85 1.012 4.797 10.749 1.00 0.00 C ATOM 1359 O LEU A 85 -0.187 4.721 10.560 1.00 0.00 O ATOM 1360 CB LEU A 85 1.297 4.449 8.298 1.00 0.00 C ATOM 1361 CG LEU A 85 2.329 4.264 7.182 1.00 0.00 C ATOM 1362 CD1 LEU A 85 1.599 4.061 5.859 1.00 0.00 C ATOM 1363 CD2 LEU A 85 3.222 5.505 7.076 1.00 0.00 C ATOM 0 H LEU A 85 3.239 3.199 9.231 1.00 0.00 H new ATOM 0 HA LEU A 85 2.325 5.929 9.480 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.764 3.514 8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.555 5.189 8.000 1.00 0.00 H new ATOM 0 HG LEU A 85 2.949 3.397 7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.327 3.928 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.966 3.176 5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.981 4.934 5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.952 5.361 6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.608 6.377 6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.743 5.660 8.021 1.00 0.00 H new ATOM 1375 N LYS A 86 1.504 4.805 11.955 1.00 0.00 N ATOM 1376 CA LYS A 86 0.596 4.721 13.128 1.00 0.00 C ATOM 1377 C LYS A 86 -0.421 5.862 13.057 1.00 0.00 C ATOM 1378 O LYS A 86 -1.543 5.735 13.506 1.00 0.00 O ATOM 1379 CB LYS A 86 1.416 4.845 14.412 1.00 0.00 C ATOM 1380 CG LYS A 86 2.354 3.642 14.538 1.00 0.00 C ATOM 1381 CD LYS A 86 3.087 3.705 15.879 1.00 0.00 C ATOM 1382 CE LYS A 86 4.105 2.567 15.959 1.00 0.00 C ATOM 1383 NZ LYS A 86 3.763 1.674 17.104 1.00 0.00 N ATOM 0 H LYS A 86 2.497 4.866 12.178 1.00 0.00 H new ATOM 0 HA LYS A 86 0.073 3.765 13.124 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.993 5.770 14.399 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.753 4.895 15.276 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.785 2.715 14.465 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.073 3.640 13.718 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.591 4.666 15.985 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.373 3.627 16.699 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.106 1.999 15.029 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.109 2.971 16.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.455 0.900 17.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.784 2.220 17.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.811 1.279 16.964 1.00 0.00 H new ATOM 1397 N LYS A 87 -0.038 6.976 12.495 1.00 0.00 N ATOM 1398 CA LYS A 87 -0.982 8.125 12.395 1.00 0.00 C ATOM 1399 C LYS A 87 -1.871 7.953 11.160 1.00 0.00 C ATOM 1400 O LYS A 87 -1.406 7.619 10.087 1.00 0.00 O ATOM 1401 CB LYS A 87 -0.189 9.428 12.275 1.00 0.00 C ATOM 1402 CG LYS A 87 0.617 9.656 13.555 1.00 0.00 C ATOM 1403 CD LYS A 87 1.317 11.013 13.484 1.00 0.00 C ATOM 1404 CE LYS A 87 2.216 11.189 14.709 1.00 0.00 C ATOM 1405 NZ LYS A 87 3.301 12.161 14.394 1.00 0.00 N ATOM 0 H LYS A 87 0.888 7.140 12.101 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.606 8.160 13.288 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.480 9.381 11.415 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.867 10.264 12.106 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.041 9.620 14.423 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.353 8.862 13.680 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.910 11.081 12.572 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.578 11.813 13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.629 11.545 15.556 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.645 10.230 14.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.912 12.281 15.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.867 11.804 13.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.882 13.078 14.137 1.00 0.00 H new ATOM 1419 N GLU A 88 -3.147 8.175 11.307 1.00 0.00 N ATOM 1420 CA GLU A 88 -4.079 8.025 10.153 1.00 0.00 C ATOM 1421 C GLU A 88 -3.786 9.092 9.094 1.00 0.00 C ATOM 1422 O GLU A 88 -4.072 8.915 7.927 1.00 0.00 O ATOM 1423 CB GLU A 88 -5.518 8.178 10.640 1.00 0.00 C ATOM 1424 CG GLU A 88 -5.859 7.036 11.600 1.00 0.00 C ATOM 1425 CD GLU A 88 -7.319 7.154 12.037 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -7.929 8.164 11.728 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -7.804 6.232 12.672 1.00 0.00 O ATOM 0 H GLU A 88 -3.588 8.456 12.183 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.940 7.038 9.711 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.643 9.138 11.142 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.202 8.170 9.792 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.691 6.075 11.113 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.204 7.071 12.471 1.00 0.00 H new ATOM 1434 N LYS A 89 -3.235 10.206 9.492 1.00 0.00 N ATOM 1435 CA LYS A 89 -2.948 11.288 8.508 1.00 0.00 C ATOM 1436 C LYS A 89 -2.136 10.729 7.343 1.00 0.00 C ATOM 1437 O LYS A 89 -2.461 10.933 6.191 1.00 0.00 O ATOM 1438 CB LYS A 89 -2.136 12.385 9.194 1.00 0.00 C ATOM 1439 CG LYS A 89 -2.032 13.601 8.271 1.00 0.00 C ATOM 1440 CD LYS A 89 -1.163 14.672 8.933 1.00 0.00 C ATOM 1441 CE LYS A 89 -1.187 15.945 8.085 1.00 0.00 C ATOM 1442 NZ LYS A 89 -2.290 16.833 8.553 1.00 0.00 N ATOM 0 H LYS A 89 -2.971 10.414 10.455 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.889 11.692 8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -2.610 12.669 10.134 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -1.140 12.015 9.438 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.601 13.308 7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -3.025 14.000 8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.531 14.884 9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.140 14.311 9.038 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.231 16.463 8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.330 15.692 7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.307 17.699 7.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.199 16.337 8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.134 17.084 9.550 1.00 0.00 H new ATOM 1456 N ASP A 90 -1.083 10.027 7.634 1.00 0.00 N ATOM 1457 CA ASP A 90 -0.248 9.455 6.543 1.00 0.00 C ATOM 1458 C ASP A 90 -1.086 8.485 5.713 1.00 0.00 C ATOM 1459 O ASP A 90 -1.008 8.458 4.500 1.00 0.00 O ATOM 1460 CB ASP A 90 0.931 8.700 7.148 1.00 0.00 C ATOM 1461 CG ASP A 90 1.843 9.681 7.889 1.00 0.00 C ATOM 1462 OD1 ASP A 90 1.689 10.873 7.683 1.00 0.00 O ATOM 1463 OD2 ASP A 90 2.680 9.222 8.650 1.00 0.00 O ATOM 0 H ASP A 90 -0.762 9.823 8.580 1.00 0.00 H new ATOM 0 HA ASP A 90 0.117 10.263 5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.571 7.933 7.834 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.490 8.189 6.364 1.00 0.00 H new ATOM 1468 N ARG A 91 -1.880 7.682 6.360 1.00 0.00 N ATOM 1469 CA ARG A 91 -2.718 6.700 5.618 1.00 0.00 C ATOM 1470 C ARG A 91 -3.632 7.434 4.635 1.00 0.00 C ATOM 1471 O ARG A 91 -3.797 7.028 3.504 1.00 0.00 O ATOM 1472 CB ARG A 91 -3.584 5.928 6.615 1.00 0.00 C ATOM 1473 CG ARG A 91 -2.690 5.215 7.629 1.00 0.00 C ATOM 1474 CD ARG A 91 -3.561 4.413 8.598 1.00 0.00 C ATOM 1475 NE ARG A 91 -2.782 4.118 9.833 1.00 0.00 N ATOM 1476 CZ ARG A 91 -3.401 3.919 10.965 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -4.704 3.962 11.014 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -2.715 3.676 12.048 1.00 0.00 N ATOM 0 H ARG A 91 -1.986 7.662 7.374 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.070 6.016 5.071 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.261 6.611 7.129 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.203 5.202 6.088 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.994 4.552 7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.091 5.942 8.177 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.460 4.976 8.848 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.886 3.484 8.129 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.764 4.071 9.794 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.240 4.151 10.167 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.186 3.806 11.899 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.696 3.642 12.009 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.197 3.520 12.933 1.00 0.00 H new ATOM 1492 N ASN A 92 -4.236 8.507 5.062 1.00 0.00 N ATOM 1493 CA ASN A 92 -5.149 9.260 4.159 1.00 0.00 C ATOM 1494 C ASN A 92 -4.362 9.916 3.024 1.00 0.00 C ATOM 1495 O ASN A 92 -4.758 9.878 1.876 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.864 10.344 4.964 1.00 0.00 C ATOM 1497 CG ASN A 92 -6.798 9.694 5.985 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -7.030 8.503 5.943 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -7.356 10.436 6.901 1.00 0.00 N ATOM 0 H ASN A 92 -4.136 8.896 6.000 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.872 8.567 3.730 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -5.134 10.974 5.473 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -6.433 10.991 4.296 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.988 10.016 7.583 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.161 11.437 6.936 1.00 0.00 H new ATOM 1506 N ASP A 93 -3.259 10.532 3.337 1.00 0.00 N ATOM 1507 CA ASP A 93 -2.454 11.209 2.282 1.00 0.00 C ATOM 1508 C ASP A 93 -1.907 10.176 1.291 1.00 0.00 C ATOM 1509 O ASP A 93 -1.893 10.392 0.096 1.00 0.00 O ATOM 1510 CB ASP A 93 -1.292 11.955 2.943 1.00 0.00 C ATOM 1511 CG ASP A 93 -1.843 13.069 3.834 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -3.012 13.389 3.693 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -1.088 13.583 4.642 1.00 0.00 O ATOM 0 H ASP A 93 -2.878 10.597 4.281 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.086 11.913 1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.692 11.264 3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.635 12.375 2.181 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.453 9.058 1.781 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.896 8.009 0.878 1.00 0.00 C ATOM 1520 C LEU A 94 -1.921 7.603 -0.173 1.00 0.00 C ATOM 1521 O LEU A 94 -1.701 7.728 -1.360 1.00 0.00 O ATOM 1522 CB LEU A 94 -0.548 6.771 1.701 1.00 0.00 C ATOM 1523 CG LEU A 94 0.952 6.723 1.967 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.204 5.905 3.232 1.00 0.00 C ATOM 1525 CD2 LEU A 94 1.654 6.058 0.782 1.00 0.00 C ATOM 0 H LEU A 94 -1.443 8.822 2.773 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.011 8.414 0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.092 6.788 2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.860 5.872 1.169 1.00 0.00 H new ATOM 0 HG LEU A 94 1.340 7.733 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.275 5.864 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.695 6.373 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.822 4.894 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.727 6.022 0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.273 5.045 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.462 6.633 -0.124 1.00 0.00 H new ATOM 1537 N ILE A 95 -3.026 7.087 0.263 1.00 0.00 N ATOM 1538 CA ILE A 95 -4.064 6.626 -0.681 1.00 0.00 C ATOM 1539 C ILE A 95 -4.465 7.753 -1.626 1.00 0.00 C ATOM 1540 O ILE A 95 -4.746 7.527 -2.786 1.00 0.00 O ATOM 1541 CB ILE A 95 -5.256 6.145 0.127 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.762 5.076 1.105 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -6.296 5.549 -0.813 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -5.949 4.479 1.866 1.00 0.00 C ATOM 0 H ILE A 95 -3.256 6.964 1.249 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.680 5.810 -1.294 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.711 6.972 0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.234 4.291 0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.051 5.513 1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.153 5.203 -0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.621 6.308 -1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.859 4.709 -1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.591 3.719 2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.458 5.267 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.644 4.026 1.159 1.00 0.00 H new ATOM 1556 N THR A 96 -4.481 8.963 -1.156 1.00 0.00 N ATOM 1557 CA THR A 96 -4.849 10.086 -2.047 1.00 0.00 C ATOM 1558 C THR A 96 -3.916 10.077 -3.261 1.00 0.00 C ATOM 1559 O THR A 96 -4.327 10.324 -4.377 1.00 0.00 O ATOM 1560 CB THR A 96 -4.692 11.400 -1.282 1.00 0.00 C ATOM 1561 OG1 THR A 96 -5.387 11.312 -0.046 1.00 0.00 O ATOM 1562 CG2 THR A 96 -5.271 12.540 -2.109 1.00 0.00 C ATOM 0 H THR A 96 -4.256 9.222 -0.195 1.00 0.00 H new ATOM 0 HA THR A 96 -5.882 9.984 -2.380 1.00 0.00 H new ATOM 0 HB THR A 96 -3.635 11.588 -1.093 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.812 10.885 0.623 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.160 13.478 -1.564 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.740 12.607 -3.059 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.328 12.353 -2.297 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.660 9.789 -3.046 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.691 9.756 -4.176 1.00 0.00 C ATOM 1572 C TYR A 97 -1.733 8.396 -4.877 1.00 0.00 C ATOM 1573 O TYR A 97 -1.790 8.315 -6.088 1.00 0.00 O ATOM 1574 CB TYR A 97 -0.283 10.009 -3.638 1.00 0.00 C ATOM 1575 CG TYR A 97 0.721 9.785 -4.742 1.00 0.00 C ATOM 1576 CD1 TYR A 97 1.008 10.808 -5.653 1.00 0.00 C ATOM 1577 CD2 TYR A 97 1.363 8.548 -4.852 1.00 0.00 C ATOM 1578 CE1 TYR A 97 1.942 10.592 -6.675 1.00 0.00 C ATOM 1579 CE2 TYR A 97 2.294 8.330 -5.872 1.00 0.00 C ATOM 1580 CZ TYR A 97 2.584 9.352 -6.785 1.00 0.00 C ATOM 1581 OH TYR A 97 3.503 9.138 -7.792 1.00 0.00 O ATOM 0 H TYR A 97 -2.263 9.574 -2.131 1.00 0.00 H new ATOM 0 HA TYR A 97 -1.959 10.529 -4.896 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.204 11.028 -3.260 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.076 9.342 -2.801 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.510 11.763 -5.568 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.140 7.760 -4.148 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.167 11.381 -7.377 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.789 7.374 -5.956 1.00 0.00 H new ATOM 0 HH TYR A 97 3.856 8.226 -7.725 1.00 0.00 H new ATOM 1591 N LEU A 98 -1.689 7.328 -4.129 1.00 0.00 N ATOM 1592 CA LEU A 98 -1.708 5.978 -4.763 1.00 0.00 C ATOM 1593 C LEU A 98 -2.904 5.865 -5.709 1.00 0.00 C ATOM 1594 O LEU A 98 -2.764 5.505 -6.861 1.00 0.00 O ATOM 1595 CB LEU A 98 -1.830 4.905 -3.680 1.00 0.00 C ATOM 1596 CG LEU A 98 -0.651 5.003 -2.709 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -0.864 4.033 -1.547 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.637 4.632 -3.439 1.00 0.00 C ATOM 0 H LEU A 98 -1.641 7.330 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.784 5.837 -5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.768 5.028 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.853 3.916 -4.138 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.580 6.022 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.024 4.103 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.786 4.288 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.934 3.015 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.479 4.701 -2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.560 3.613 -3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.793 5.317 -4.272 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.076 6.172 -5.234 1.00 0.00 N ATOM 1611 CA LYS A 99 -5.276 6.082 -6.111 1.00 0.00 C ATOM 1612 C LYS A 99 -5.136 7.067 -7.273 1.00 0.00 C ATOM 1613 O LYS A 99 -5.472 6.764 -8.401 1.00 0.00 O ATOM 1614 CB LYS A 99 -6.530 6.411 -5.304 1.00 0.00 C ATOM 1615 CG LYS A 99 -7.764 6.237 -6.191 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.018 6.627 -5.408 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.259 6.316 -6.247 1.00 0.00 C ATOM 1618 NZ LYS A 99 -9.920 6.424 -7.695 1.00 0.00 N ATOM 0 H LYS A 99 -4.256 6.481 -4.279 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.360 5.069 -6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.598 5.757 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.478 7.434 -4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.673 6.856 -7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.840 5.203 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.056 6.080 -4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.990 7.688 -5.160 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.622 5.313 -6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.063 7.009 -5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.795 6.432 -8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.392 7.304 -7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.336 5.611 -7.976 1.00 0.00 H new ATOM 1632 N LYS A 100 -4.640 8.243 -7.006 1.00 0.00 N ATOM 1633 CA LYS A 100 -4.476 9.247 -8.095 1.00 0.00 C ATOM 1634 C LYS A 100 -3.549 8.676 -9.164 1.00 0.00 C ATOM 1635 O LYS A 100 -3.790 8.796 -10.349 1.00 0.00 O ATOM 1636 CB LYS A 100 -3.846 10.515 -7.521 1.00 0.00 C ATOM 1637 CG LYS A 100 -3.919 11.638 -8.555 1.00 0.00 C ATOM 1638 CD LYS A 100 -3.238 12.890 -8.000 1.00 0.00 C ATOM 1639 CE LYS A 100 -3.455 14.059 -8.963 1.00 0.00 C ATOM 1640 NZ LYS A 100 -2.707 15.252 -8.473 1.00 0.00 N ATOM 0 H LYS A 100 -4.341 8.553 -6.081 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.448 9.480 -8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.366 10.811 -6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.808 10.326 -7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.433 11.327 -9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.959 11.855 -8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.645 13.133 -7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.172 12.708 -7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.115 13.789 -9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.518 14.289 -9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.854 16.047 -9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.052 15.514 -7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.692 15.029 -8.422 1.00 0.00 H new ATOM 1654 N ALA A 101 -2.492 8.047 -8.743 1.00 0.00 N ATOM 1655 CA ALA A 101 -1.536 7.450 -9.716 1.00 0.00 C ATOM 1656 C ALA A 101 -2.220 6.276 -10.407 1.00 0.00 C ATOM 1657 O ALA A 101 -2.209 6.158 -11.617 1.00 0.00 O ATOM 1658 CB ALA A 101 -0.290 6.957 -8.978 1.00 0.00 C ATOM 0 H ALA A 101 -2.246 7.919 -7.761 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.238 8.196 -10.453 1.00 0.00 H new ATOM 0 HB1 ALA A 101 0.408 6.521 -9.693 1.00 0.00 H new ATOM 0 HB2 ALA A 101 0.188 7.795 -8.470 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.576 6.204 -8.244 1.00 0.00 H new ATOM 1664 N THR A 102 -2.838 5.420 -9.644 1.00 0.00 N ATOM 1665 CA THR A 102 -3.550 4.266 -10.249 1.00 0.00 C ATOM 1666 C THR A 102 -4.667 4.809 -11.133 1.00 0.00 C ATOM 1667 O THR A 102 -5.034 4.218 -12.129 1.00 0.00 O ATOM 1668 CB THR A 102 -4.146 3.390 -9.143 1.00 0.00 C ATOM 1669 OG1 THR A 102 -3.120 3.012 -8.236 1.00 0.00 O ATOM 1670 CG2 THR A 102 -4.769 2.138 -9.761 1.00 0.00 C ATOM 0 H THR A 102 -2.880 5.471 -8.626 1.00 0.00 H new ATOM 0 HA THR A 102 -2.860 3.663 -10.839 1.00 0.00 H new ATOM 0 HB THR A 102 -4.915 3.950 -8.610 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.911 3.766 -7.646 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.193 1.516 -8.973 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.556 2.429 -10.457 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.003 1.576 -10.295 1.00 0.00 H new ATOM 1678 N GLU A 103 -5.211 5.940 -10.771 1.00 0.00 N ATOM 1679 CA GLU A 103 -6.307 6.534 -11.585 1.00 0.00 C ATOM 1680 C GLU A 103 -5.707 7.359 -12.726 1.00 0.00 C ATOM 1681 O GLU A 103 -5.469 6.859 -13.807 1.00 0.00 O ATOM 1682 CB GLU A 103 -7.168 7.438 -10.699 1.00 0.00 C ATOM 1683 CG GLU A 103 -8.372 7.938 -11.500 1.00 0.00 C ATOM 1684 CD GLU A 103 -9.181 8.919 -10.649 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -8.773 9.177 -9.529 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -10.194 9.398 -11.132 1.00 0.00 O ATOM 0 H GLU A 103 -4.943 6.477 -9.946 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.924 5.737 -12.000 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.505 6.889 -9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.579 8.283 -10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.036 8.426 -12.415 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.998 7.097 -11.798 1.00 0.00 H new TER 1693 GLU A 103 HETATM 1694 FE HEC A 104 4.991 -2.455 1.907 1.00 0.00 FE HETATM 1695 CHA HEC A 104 2.995 -5.112 1.249 1.00 0.00 C HETATM 1696 CHB HEC A 104 2.323 -0.387 1.653 1.00 0.00 C HETATM 1697 CHC HEC A 104 6.980 0.204 2.591 1.00 0.00 C HETATM 1698 CHD HEC A 104 7.671 -4.511 2.073 1.00 0.00 C HETATM 1699 NA HEC A 104 3.080 -2.696 1.534 1.00 0.00 N HETATM 1700 C1A HEC A 104 2.398 -3.872 1.285 1.00 0.00 C HETATM 1701 C2A HEC A 104 0.975 -3.629 1.101 1.00 0.00 C HETATM 1702 C3A HEC A 104 0.812 -2.291 1.172 1.00 0.00 C HETATM 1703 C4A HEC A 104 2.101 -1.728 1.477 1.00 0.00 C HETATM 1704 CMA HEC A 104 -0.436 -1.536 0.875 1.00 0.00 C HETATM 1705 CAA HEC A 104 -0.136 -4.633 1.101 1.00 0.00 C HETATM 1706 CBA HEC A 104 -1.029 -4.515 -0.133 1.00 0.00 C HETATM 1707 CGA HEC A 104 -0.947 -5.807 -0.949 1.00 0.00 C HETATM 1708 O1A HEC A 104 0.106 -6.066 -1.506 1.00 0.00 O HETATM 1709 O2A HEC A 104 -1.938 -6.515 -1.001 1.00 0.00 O HETATM 1710 NB HEC A 104 4.714 -0.517 2.074 1.00 0.00 N HETATM 1711 C1B HEC A 104 3.539 0.185 1.926 1.00 0.00 C HETATM 1712 C2B HEC A 104 3.727 1.596 2.147 1.00 0.00 C HETATM 1713 C3B HEC A 104 5.045 1.783 2.370 1.00 0.00 C HETATM 1714 C4B HEC A 104 5.648 0.460 2.371 1.00 0.00 C HETATM 1715 CMB HEC A 104 2.657 2.608 2.349 1.00 0.00 C HETATM 1716 CAB HEC A 104 5.735 3.112 2.448 1.00 0.00 C HETATM 1717 CBB HEC A 104 5.276 3.938 3.651 1.00 0.00 C HETATM 1718 NC HEC A 104 6.897 -2.210 2.276 1.00 0.00 N HETATM 1719 C1C HEC A 104 7.564 -1.033 2.542 1.00 0.00 C HETATM 1720 C2C HEC A 104 8.966 -1.256 2.759 1.00 0.00 C HETATM 1721 C3C HEC A 104 9.187 -2.569 2.548 1.00 0.00 C HETATM 1722 C4C HEC A 104 7.890 -3.168 2.300 1.00 0.00 C HETATM 1723 CMC HEC A 104 9.936 -0.278 3.323 1.00 0.00 C HETATM 1724 CAC HEC A 104 10.522 -3.202 2.379 1.00 0.00 C HETATM 1725 CBC HEC A 104 11.260 -3.418 3.701 1.00 0.00 C HETATM 1726 ND HEC A 104 5.269 -4.382 1.720 1.00 0.00 N HETATM 1727 C1D HEC A 104 6.454 -5.078 1.800 1.00 0.00 C HETATM 1728 C2D HEC A 104 6.255 -6.491 1.603 1.00 0.00 C HETATM 1729 C3D HEC A 104 4.939 -6.660 1.334 1.00 0.00 C HETATM 1730 C4D HEC A 104 4.331 -5.356 1.448 1.00 0.00 C HETATM 1731 CMD HEC A 104 7.248 -7.564 1.879 1.00 0.00 C HETATM 1732 CAD HEC A 104 4.278 -7.915 0.864 1.00 0.00 C HETATM 1733 CBD HEC A 104 3.694 -8.735 2.016 1.00 0.00 C HETATM 1734 CGD HEC A 104 2.700 -9.753 1.457 1.00 0.00 C HETATM 1735 O1D HEC A 104 3.094 -10.523 0.596 1.00 0.00 O HETATM 1736 O2D HEC A 104 1.562 -9.744 1.897 1.00 0.00 O HETATM 0 HMD3 HEC A 104 8.138 -7.401 1.272 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 7.520 -7.545 2.934 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.814 -8.533 1.633 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 9.971 0.607 2.688 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 9.622 0.008 4.327 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 10.926 -0.732 3.368 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 2.007 2.630 1.474 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 2.071 2.347 3.230 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 3.107 3.590 2.491 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.733 -1.717 -0.158 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 -1.230 -1.867 1.544 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.260 -0.470 1.021 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 4.492 -9.246 2.555 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 3.197 -8.078 2.730 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 11.412 -2.458 4.194 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 10.668 -4.067 4.346 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 12.226 -3.883 3.506 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 4.204 4.120 3.580 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 5.491 3.393 4.570 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 5.806 4.891 3.662 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -2.060 -4.327 0.168 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.715 -3.667 -0.742 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 3.483 -7.663 0.162 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 5.002 -8.522 0.321 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 0.286 -5.637 1.146 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -0.741 -4.501 1.998 1.00 0.00 H new HETATM 0 HHD HEC A 104 8.535 -5.174 2.114 1.00 0.00 H new HETATM 0 HHC HEC A 104 7.623 1.053 2.823 1.00 0.00 H new HETATM 0 HHB HEC A 104 1.464 0.278 1.569 1.00 0.00 H new HETATM 0 HHA HEC A 104 2.354 -5.970 1.046 1.00 0.00 H new