USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HEMFE :(H bumps) USER MOD NoAdj-H: A 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD Set 1.1: A 16 GLN : amide:sc= 0.0537 X(o=-0.92,f=-0.97) USER MOD Set 1.2: A 104 HEM CMC :methyl 150:sc= -0.974 (180deg=-0.974) USER MOD Set 2.1: A 63 ASN : amide:sc= -0.76 K(o=-0.76,f=-2.4!) USER MOD Set 2.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 39 GLN : amide:sc= 0.764 K(o=1.6,f=-0.56) USER MOD Set 3.2: A 56 ASN : amide:sc= 0.859 K(o=1.6,f=0.04) USER MOD Set 4.1: A 19 THR OG1 : rot -117:sc= 1.26 USER MOD Set 4.2: A 31 ASN : amide:sc= 2.39 K(o=3.6,f=-4.3!) USER MOD Single : A 2 SER OG : rot 75:sc= 1.25 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -163:sc= 1.23 (180deg=0.952) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ 142:sc= 0.281 (180deg=-0.00147) USER MOD Single : A -5 THR OG1 : rot 180:sc= -0.0126 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -76:sc= 0.749 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.245 K(o=-0.24,f=-1.8) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.08) USER MOD Single : A 33 HIS : no HE2:sc= -0.935 K(o=-0.94,f=-4.8!) USER MOD Single : A 40 SER OG : rot 120:sc= 0.257 USER MOD Single : A 42 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.11) USER MOD Single : A 46 TYR OH : rot 15:sc= 1.26 USER MOD Single : A 47 SER OG : rot 51:sc= 0.447 USER MOD Single : A 48 TYR OH : rot -19:sc= 2.08 USER MOD Single : A 49 THR OG1 : rot 179:sc= 2.24 USER MOD Single : A 52 ASN : amide:sc= -0.361 K(o=-0.36,f=-6.4!) USER MOD Single : A 54 LYS NZ :NH3+ -150:sc= 0.869 (180deg=-0.72!) USER MOD Single : A 55 LYS NZ :NH3+ -158:sc= -0.0182 (180deg=-0.165) USER MOD Single : A 62 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.9!) USER MOD Single : A 64 MET CE :methyl -176:sc= -0.266 (180deg=-0.283) USER MOD Single : A 65 SER OG : rot -124:sc= 0.885 USER MOD Single : A 67 TYR OH : rot -140:sc= 0.619 USER MOD Single : A 69 THR OG1 : rot 72:sc= 0.359 USER MOD Single : A 70 ASN : amide:sc= -0.731! C(o=-0.73!,f=-3.6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 79 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0286) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.09) USER MOD Single : A 89 LYS NZ :NH3+ -177:sc= 0.977 (180deg=0.708) USER MOD Single : A 92 ASN : amide:sc= 1.11 K(o=1.1,f=-0.42) USER MOD Single : A 96 THR OG1 : rot 79:sc= 2.22 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 153:sc= 1.16 (180deg=0.0822) USER MOD Single : A 100 LYS NZ :NH3+ 155:sc= 2.26 (180deg=1.09) USER MOD Single : A 102 SER OG : rot -60:sc= 1.12 USER MOD Single : A 104 HEM CMA :methyl 150:sc= -0.781 (180deg=-0.781) USER MOD Single : A 104 HEM CMB :methyl 150:sc= -1.06 (180deg=-1.06) USER MOD Single : A 104 HEM CMD :methyl -30:sc= -0.59 (180deg=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -4.268 -13.155 -16.995 1.00 0.00 N ATOM 2 CA THR A -5 -4.671 -11.817 -17.459 1.00 0.00 C ATOM 3 C THR A -5 -3.527 -10.866 -17.120 1.00 0.00 C ATOM 4 O THR A -5 -2.614 -11.302 -16.419 1.00 0.00 O ATOM 5 CB THR A -5 -6.022 -11.376 -16.866 1.00 0.00 C ATOM 6 OG1 THR A -5 -6.378 -10.126 -17.415 1.00 0.00 O ATOM 7 CG2 THR A -5 -6.013 -11.283 -15.334 1.00 0.00 C ATOM 0 H1 THR A -5 -5.094 -13.649 -16.602 1.00 0.00 H new ATOM 0 H2 THR A -5 -3.887 -13.700 -17.795 1.00 0.00 H new ATOM 0 H3 THR A -5 -3.538 -13.062 -16.260 1.00 0.00 H new ATOM 0 HA THR A -5 -4.842 -11.818 -18.536 1.00 0.00 H new ATOM 0 HB THR A -5 -6.753 -12.141 -17.126 1.00 0.00 H new ATOM 0 HG1 THR A -5 -7.238 -9.839 -17.044 1.00 0.00 H new ATOM 0 HG21 THR A -5 -6.995 -10.967 -14.983 1.00 0.00 H new ATOM 0 HG22 THR A -5 -5.773 -12.259 -14.912 1.00 0.00 H new ATOM 0 HG23 THR A -5 -5.264 -10.557 -15.018 1.00 0.00 H new ATOM 8 N GLU A -4 -3.565 -9.630 -17.618 1.00 0.00 N ATOM 9 CA GLU A -4 -2.480 -8.667 -17.511 1.00 0.00 C ATOM 10 C GLU A -4 -3.008 -7.403 -16.832 1.00 0.00 C ATOM 11 O GLU A -4 -4.117 -6.958 -17.130 1.00 0.00 O ATOM 12 CB GLU A -4 -1.936 -8.389 -18.918 1.00 0.00 C ATOM 13 CG GLU A -4 -0.578 -7.674 -18.900 1.00 0.00 C ATOM 14 CD GLU A -4 -0.004 -7.491 -20.302 1.00 0.00 C ATOM 15 OE1 GLU A -4 -0.688 -7.906 -21.263 1.00 0.00 O ATOM 16 OE2 GLU A -4 1.118 -6.948 -20.381 1.00 0.00 O ATOM 0 H GLU A -4 -4.375 -9.266 -18.120 1.00 0.00 H new ATOM 0 HA GLU A -4 -1.661 -9.052 -16.903 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -1.838 -9.331 -19.458 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -2.655 -7.780 -19.467 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -0.689 -6.699 -18.425 1.00 0.00 H new ATOM 0 HG3 GLU A -4 0.124 -8.246 -18.294 1.00 0.00 H new ATOM 17 N PHE A -3 -2.229 -6.836 -15.908 1.00 0.00 N ATOM 18 CA PHE A -3 -2.536 -5.543 -15.315 1.00 0.00 C ATOM 19 C PHE A -3 -2.394 -4.475 -16.403 1.00 0.00 C ATOM 20 O PHE A -3 -1.352 -4.392 -17.051 1.00 0.00 O ATOM 21 CB PHE A -3 -1.603 -5.265 -14.124 1.00 0.00 C ATOM 22 CG PHE A -3 -1.559 -3.809 -13.695 1.00 0.00 C ATOM 23 CD1 PHE A -3 -0.629 -2.950 -14.308 1.00 0.00 C ATOM 24 CD2 PHE A -3 -2.462 -3.292 -12.744 1.00 0.00 C ATOM 25 CE1 PHE A -3 -0.634 -1.580 -14.015 1.00 0.00 C ATOM 26 CE2 PHE A -3 -2.455 -1.918 -12.440 1.00 0.00 C ATOM 27 CZ PHE A -3 -1.541 -1.064 -13.077 1.00 0.00 C ATOM 0 H PHE A -3 -1.372 -7.262 -15.554 1.00 0.00 H new ATOM 0 HA PHE A -3 -3.556 -5.531 -14.930 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -1.922 -5.872 -13.277 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -0.594 -5.586 -14.384 1.00 0.00 H new ATOM 0 HD1 PHE A -3 0.092 -3.348 -15.007 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -3.160 -3.951 -12.248 1.00 0.00 H new ATOM 0 HE1 PHE A -3 0.061 -0.920 -14.512 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -3.152 -1.521 -11.717 1.00 0.00 H new ATOM 0 HZ PHE A -3 -1.536 -0.009 -12.845 1.00 0.00 H new ATOM 28 N LYS A -2 -3.435 -3.660 -16.594 1.00 0.00 N ATOM 29 CA LYS A -2 -3.418 -2.537 -17.515 1.00 0.00 C ATOM 30 C LYS A -2 -3.216 -1.239 -16.729 1.00 0.00 C ATOM 31 O LYS A -2 -4.044 -0.889 -15.889 1.00 0.00 O ATOM 32 CB LYS A -2 -4.698 -2.521 -18.363 1.00 0.00 C ATOM 33 CG LYS A -2 -6.004 -2.609 -17.552 1.00 0.00 C ATOM 34 CD LYS A -2 -7.049 -1.618 -18.078 1.00 0.00 C ATOM 35 CE LYS A -2 -6.696 -0.184 -17.638 1.00 0.00 C ATOM 36 NZ LYS A -2 -7.579 0.826 -18.251 1.00 0.00 N ATOM 0 H LYS A -2 -4.322 -3.769 -16.103 1.00 0.00 H new ATOM 0 HA LYS A -2 -2.585 -2.636 -18.210 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -4.714 -1.606 -18.956 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -4.664 -3.355 -19.064 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -6.401 -3.623 -17.605 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -5.798 -2.402 -16.502 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -7.095 -1.671 -19.166 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -8.037 -1.888 -17.704 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -6.765 -0.113 -16.553 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -5.662 0.031 -17.906 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -7.302 1.774 -17.924 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -7.495 0.778 -19.286 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -8.564 0.639 -17.975 1.00 0.00 H new ATOM 37 N ALA A -1 -2.127 -0.523 -17.011 1.00 0.00 N ATOM 38 CA ALA A -1 -1.826 0.733 -16.341 1.00 0.00 C ATOM 39 C ALA A -1 -2.916 1.782 -16.575 1.00 0.00 C ATOM 40 O ALA A -1 -3.660 1.729 -17.557 1.00 0.00 O ATOM 41 CB ALA A -1 -0.451 1.243 -16.776 1.00 0.00 C ATOM 0 H ALA A -1 -1.435 -0.799 -17.707 1.00 0.00 H new ATOM 0 HA ALA A -1 -1.802 0.547 -15.267 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -0.235 2.183 -16.269 1.00 0.00 H new ATOM 0 HB2 ALA A -1 0.309 0.507 -16.515 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -0.447 1.403 -17.854 1.00 0.00 H new ATOM 42 N GLY A 1 -2.999 2.729 -15.642 1.00 0.00 N ATOM 43 CA GLY A 1 -3.891 3.871 -15.680 1.00 0.00 C ATOM 44 C GLY A 1 -3.118 5.131 -16.064 1.00 0.00 C ATOM 45 O GLY A 1 -2.160 5.079 -16.833 1.00 0.00 O ATOM 0 H GLY A 1 -2.417 2.714 -14.804 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.691 3.693 -16.399 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.362 4.007 -14.706 1.00 0.00 H new ATOM 46 N SER A 2 -3.540 6.272 -15.527 1.00 0.00 N ATOM 47 CA SER A 2 -3.251 7.584 -16.087 1.00 0.00 C ATOM 48 C SER A 2 -1.981 8.236 -15.531 1.00 0.00 C ATOM 49 O SER A 2 -1.667 9.354 -15.934 1.00 0.00 O ATOM 50 CB SER A 2 -4.463 8.489 -15.835 1.00 0.00 C ATOM 51 OG SER A 2 -5.671 7.805 -16.111 1.00 0.00 O ATOM 0 H SER A 2 -4.102 6.309 -14.676 1.00 0.00 H new ATOM 0 HA SER A 2 -3.064 7.450 -17.153 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.460 8.827 -14.799 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.393 9.379 -16.460 1.00 0.00 H new ATOM 0 HG SER A 2 -5.861 7.172 -15.387 1.00 0.00 H new ATOM 52 N ALA A 3 -1.284 7.589 -14.586 1.00 0.00 N ATOM 53 CA ALA A 3 -0.174 8.139 -13.801 1.00 0.00 C ATOM 54 C ALA A 3 -0.653 9.243 -12.862 1.00 0.00 C ATOM 55 O ALA A 3 -0.557 9.119 -11.643 1.00 0.00 O ATOM 56 CB ALA A 3 0.977 8.641 -14.678 1.00 0.00 C ATOM 0 H ALA A 3 -1.490 6.621 -14.338 1.00 0.00 H new ATOM 0 HA ALA A 3 0.215 7.316 -13.201 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.771 9.037 -14.045 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.366 7.816 -15.275 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.614 9.427 -15.340 1.00 0.00 H new ATOM 57 N LYS A 4 -1.196 10.322 -13.431 1.00 0.00 N ATOM 58 CA LYS A 4 -2.053 11.233 -12.700 1.00 0.00 C ATOM 59 C LYS A 4 -3.367 10.501 -12.365 1.00 0.00 C ATOM 60 O LYS A 4 -3.465 9.294 -12.571 1.00 0.00 O ATOM 61 CB LYS A 4 -2.270 12.507 -13.532 1.00 0.00 C ATOM 62 CG LYS A 4 -0.951 13.272 -13.714 1.00 0.00 C ATOM 63 CD LYS A 4 -1.170 14.525 -14.572 1.00 0.00 C ATOM 64 CE LYS A 4 0.116 15.365 -14.633 1.00 0.00 C ATOM 65 NZ LYS A 4 -0.030 16.550 -15.506 1.00 0.00 N ATOM 0 H LYS A 4 -1.050 10.580 -14.407 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.597 11.545 -11.760 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.680 12.244 -14.507 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.002 13.148 -13.040 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.551 13.556 -12.741 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.211 12.626 -14.186 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.471 14.236 -15.579 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.982 15.121 -14.155 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.385 15.688 -13.627 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.935 14.746 -14.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.861 17.086 -15.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.260 16.243 -16.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.794 17.156 -15.144 1.00 0.00 H new ATOM 66 N LYS A 5 -4.363 11.206 -11.814 1.00 0.00 N ATOM 67 CA LYS A 5 -5.634 10.671 -11.317 1.00 0.00 C ATOM 68 C LYS A 5 -5.361 9.974 -9.983 1.00 0.00 C ATOM 69 O LYS A 5 -5.876 10.369 -8.936 1.00 0.00 O ATOM 70 CB LYS A 5 -6.326 9.760 -12.362 1.00 0.00 C ATOM 71 CG LYS A 5 -7.785 9.354 -12.081 1.00 0.00 C ATOM 72 CD LYS A 5 -7.945 8.639 -10.732 1.00 0.00 C ATOM 73 CE LYS A 5 -9.080 7.612 -10.660 1.00 0.00 C ATOM 74 NZ LYS A 5 -10.418 8.168 -10.918 1.00 0.00 N ATOM 0 H LYS A 5 -4.299 12.217 -11.697 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.347 11.478 -11.149 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.296 10.267 -13.326 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.735 8.850 -12.462 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.416 10.243 -12.095 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.138 8.701 -12.879 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.008 8.136 -10.494 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.109 9.390 -9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.883 6.820 -11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.075 7.151 -9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.142 7.504 -10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.519 9.076 -10.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.540 8.318 -11.940 1.00 0.00 H new ATOM 75 N GLY A 6 -4.524 8.942 -10.031 1.00 0.00 N ATOM 76 CA GLY A 6 -4.195 8.083 -8.907 1.00 0.00 C ATOM 77 C GLY A 6 -3.703 8.884 -7.704 1.00 0.00 C ATOM 78 O GLY A 6 -4.007 8.544 -6.562 1.00 0.00 O ATOM 0 H GLY A 6 -4.040 8.674 -10.888 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.074 7.504 -8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.427 7.370 -9.207 1.00 0.00 H new ATOM 79 N ALA A 7 -2.986 9.982 -7.960 1.00 0.00 N ATOM 80 CA ALA A 7 -2.545 10.917 -6.937 1.00 0.00 C ATOM 81 C ALA A 7 -3.713 11.364 -6.059 1.00 0.00 C ATOM 82 O ALA A 7 -3.603 11.391 -4.835 1.00 0.00 O ATOM 83 CB ALA A 7 -1.886 12.127 -7.607 1.00 0.00 C ATOM 0 H ALA A 7 -2.694 10.245 -8.901 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.821 10.418 -6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.554 12.830 -6.843 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.028 11.796 -8.193 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.606 12.617 -8.263 1.00 0.00 H new ATOM 84 N THR A 8 -4.835 11.726 -6.678 1.00 0.00 N ATOM 85 CA THR A 8 -5.999 12.242 -5.980 1.00 0.00 C ATOM 86 C THR A 8 -6.619 11.141 -5.115 1.00 0.00 C ATOM 87 O THR A 8 -7.049 11.382 -3.985 1.00 0.00 O ATOM 88 CB THR A 8 -6.976 12.788 -7.029 1.00 0.00 C ATOM 89 OG1 THR A 8 -6.253 13.584 -7.950 1.00 0.00 O ATOM 90 CG2 THR A 8 -8.078 13.638 -6.390 1.00 0.00 C ATOM 0 H THR A 8 -4.958 11.667 -7.689 1.00 0.00 H new ATOM 0 HA THR A 8 -5.728 13.053 -5.303 1.00 0.00 H new ATOM 0 HB THR A 8 -7.451 11.944 -7.529 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.866 13.938 -8.628 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.749 14.006 -7.166 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.641 13.031 -5.681 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.629 14.483 -5.868 1.00 0.00 H new ATOM 91 N LEU A 9 -6.648 9.913 -5.632 1.00 0.00 N ATOM 92 CA LEU A 9 -7.141 8.768 -4.903 1.00 0.00 C ATOM 93 C LEU A 9 -6.246 8.539 -3.688 1.00 0.00 C ATOM 94 O LEU A 9 -6.743 8.499 -2.567 1.00 0.00 O ATOM 95 CB LEU A 9 -7.185 7.566 -5.851 1.00 0.00 C ATOM 96 CG LEU A 9 -8.573 7.299 -6.456 1.00 0.00 C ATOM 97 CD1 LEU A 9 -9.549 6.736 -5.417 1.00 0.00 C ATOM 98 CD2 LEU A 9 -9.167 8.551 -7.109 1.00 0.00 C ATOM 0 H LEU A 9 -6.326 9.694 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.154 8.928 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.472 7.727 -6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.858 6.678 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.426 6.548 -7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.518 6.561 -5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.161 5.796 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.664 7.450 -4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.147 8.315 -7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.268 9.338 -6.362 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.509 8.892 -7.908 1.00 0.00 H new ATOM 99 N PHE A 10 -4.930 8.457 -3.901 1.00 0.00 N ATOM 100 CA PHE A 10 -3.959 8.348 -2.820 1.00 0.00 C ATOM 101 C PHE A 10 -4.255 9.404 -1.756 1.00 0.00 C ATOM 102 O PHE A 10 -4.459 9.078 -0.588 1.00 0.00 O ATOM 103 CB PHE A 10 -2.529 8.474 -3.364 1.00 0.00 C ATOM 104 CG PHE A 10 -1.455 8.300 -2.308 1.00 0.00 C ATOM 105 CD1 PHE A 10 -1.016 9.407 -1.557 1.00 0.00 C ATOM 106 CD2 PHE A 10 -0.960 7.017 -2.010 1.00 0.00 C ATOM 107 CE1 PHE A 10 -0.143 9.221 -0.471 1.00 0.00 C ATOM 108 CE2 PHE A 10 -0.078 6.836 -0.931 1.00 0.00 C ATOM 109 CZ PHE A 10 0.299 7.931 -0.137 1.00 0.00 C ATOM 0 H PHE A 10 -4.512 8.465 -4.831 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.042 7.365 -2.356 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.381 7.729 -4.146 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.412 9.453 -3.830 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.351 10.401 -1.816 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.258 6.171 -2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.188 10.071 0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.311 5.852 -0.712 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.927 7.781 0.728 1.00 0.00 H new ATOM 110 N LYS A 11 -4.329 10.668 -2.181 1.00 0.00 N ATOM 111 CA LYS A 11 -4.571 11.798 -1.296 1.00 0.00 C ATOM 112 C LYS A 11 -5.861 11.639 -0.486 1.00 0.00 C ATOM 113 O LYS A 11 -5.895 12.016 0.681 1.00 0.00 O ATOM 114 CB LYS A 11 -4.552 13.102 -2.100 1.00 0.00 C ATOM 115 CG LYS A 11 -3.104 13.428 -2.491 1.00 0.00 C ATOM 116 CD LYS A 11 -3.049 14.518 -3.564 1.00 0.00 C ATOM 117 CE LYS A 11 -1.589 14.709 -3.995 1.00 0.00 C ATOM 118 NZ LYS A 11 -1.445 15.738 -5.045 1.00 0.00 N ATOM 0 H LYS A 11 -4.221 10.933 -3.160 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.765 11.833 -0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.170 13.003 -2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.974 13.915 -1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.552 13.754 -1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.613 12.527 -2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.662 14.237 -4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.454 15.452 -3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.991 14.991 -3.129 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.194 13.762 -4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.442 15.832 -5.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.994 15.458 -5.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.797 16.649 -4.689 1.00 0.00 H new ATOM 119 N THR A 12 -6.921 11.099 -1.090 1.00 0.00 N ATOM 120 CA THR A 12 -8.215 10.990 -0.427 1.00 0.00 C ATOM 121 C THR A 12 -8.432 9.649 0.290 1.00 0.00 C ATOM 122 O THR A 12 -9.443 9.502 0.976 1.00 0.00 O ATOM 123 CB THR A 12 -9.339 11.307 -1.424 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.269 10.471 -2.568 1.00 0.00 O ATOM 125 CG2 THR A 12 -9.281 12.772 -1.871 1.00 0.00 C ATOM 0 H THR A 12 -6.905 10.730 -2.041 1.00 0.00 H new ATOM 0 HA THR A 12 -8.233 11.732 0.372 1.00 0.00 H new ATOM 0 HB THR A 12 -10.281 11.123 -0.908 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.544 10.776 -3.152 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.088 12.969 -2.577 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.391 13.422 -1.003 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.323 12.968 -2.352 1.00 0.00 H new ATOM 126 N ARG A 13 -7.535 8.666 0.130 1.00 0.00 N ATOM 127 CA ARG A 13 -7.674 7.338 0.731 1.00 0.00 C ATOM 128 C ARG A 13 -6.452 7.020 1.589 1.00 0.00 C ATOM 129 O ARG A 13 -6.566 6.785 2.790 1.00 0.00 O ATOM 130 CB ARG A 13 -7.818 6.251 -0.351 1.00 0.00 C ATOM 131 CG ARG A 13 -9.232 5.998 -0.888 1.00 0.00 C ATOM 132 CD ARG A 13 -9.882 7.190 -1.602 1.00 0.00 C ATOM 133 NE ARG A 13 -10.887 7.845 -0.752 1.00 0.00 N ATOM 134 CZ ARG A 13 -11.831 8.683 -1.202 1.00 0.00 C ATOM 135 NH1 ARG A 13 -11.657 9.312 -2.367 1.00 0.00 N ATOM 136 NH2 ARG A 13 -12.943 8.886 -0.486 1.00 0.00 N ATOM 0 H ARG A 13 -6.686 8.774 -0.425 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.572 7.346 1.348 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.178 6.520 -1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.435 5.314 0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.196 5.156 -1.580 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.871 5.700 -0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.114 7.911 -1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.351 6.851 -2.526 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.864 7.648 0.249 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.808 9.154 -2.910 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.373 9.951 -2.714 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.073 8.403 0.403 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.661 9.524 -0.829 1.00 0.00 H new ATOM 137 N CYS A 14 -5.288 6.930 0.947 1.00 0.00 N ATOM 138 CA CYS A 14 -4.103 6.313 1.519 1.00 0.00 C ATOM 139 C CYS A 14 -3.397 7.321 2.420 1.00 0.00 C ATOM 140 O CYS A 14 -3.056 7.007 3.560 1.00 0.00 O ATOM 141 CB CYS A 14 -3.183 5.814 0.429 1.00 0.00 C ATOM 142 SG CYS A 14 -4.001 4.929 -0.937 1.00 0.00 S ATOM 0 H CYS A 14 -5.145 7.290 0.003 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.396 5.450 2.118 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.642 6.665 0.016 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.442 5.152 0.877 1.00 0.00 H new ATOM 143 N LEU A 15 -3.213 8.548 1.914 1.00 0.00 N ATOM 144 CA LEU A 15 -2.518 9.649 2.580 1.00 0.00 C ATOM 145 C LEU A 15 -3.000 9.832 4.018 1.00 0.00 C ATOM 146 O LEU A 15 -2.207 10.167 4.899 1.00 0.00 O ATOM 147 CB LEU A 15 -2.754 10.928 1.770 1.00 0.00 C ATOM 148 CG LEU A 15 -2.114 12.212 2.326 1.00 0.00 C ATOM 149 CD1 LEU A 15 -0.821 12.548 1.580 1.00 0.00 C ATOM 150 CD2 LEU A 15 -3.094 13.386 2.223 1.00 0.00 C ATOM 0 H LEU A 15 -3.560 8.807 0.991 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.453 9.422 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.378 10.768 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.829 11.089 1.689 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.873 12.039 3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.389 13.460 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.112 11.728 1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.039 12.696 0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.626 14.287 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.361 13.547 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.993 13.161 2.797 1.00 0.00 H new ATOM 151 N GLN A 16 -4.298 9.616 4.255 1.00 0.00 N ATOM 152 CA GLN A 16 -4.897 9.593 5.580 1.00 0.00 C ATOM 153 C GLN A 16 -3.970 8.889 6.579 1.00 0.00 C ATOM 154 O GLN A 16 -3.627 9.448 7.620 1.00 0.00 O ATOM 155 CB GLN A 16 -6.253 8.878 5.477 1.00 0.00 C ATOM 156 CG GLN A 16 -7.058 8.940 6.779 1.00 0.00 C ATOM 157 CD GLN A 16 -8.388 8.211 6.627 1.00 0.00 C ATOM 158 OE1 GLN A 16 -9.421 8.827 6.391 1.00 0.00 O ATOM 159 NE2 GLN A 16 -8.375 6.888 6.760 1.00 0.00 N ATOM 0 H GLN A 16 -4.972 9.449 3.508 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.046 10.609 5.946 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.836 9.328 4.673 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.089 7.835 5.206 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.483 8.492 7.589 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.237 9.980 7.052 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.499 6.404 6.956 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.241 6.357 6.666 1.00 0.00 H new ATOM 160 N CYS A 17 -3.556 7.669 6.236 1.00 0.00 N ATOM 161 CA CYS A 17 -2.857 6.757 7.128 1.00 0.00 C ATOM 162 C CYS A 17 -1.368 6.655 6.794 1.00 0.00 C ATOM 163 O CYS A 17 -0.556 6.446 7.696 1.00 0.00 O ATOM 164 CB CYS A 17 -3.507 5.404 7.042 1.00 0.00 C ATOM 165 SG CYS A 17 -5.153 5.440 7.817 1.00 0.00 S ATOM 0 H CYS A 17 -3.704 7.282 5.304 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.926 7.145 8.144 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.596 5.102 5.998 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.881 4.661 7.537 1.00 0.00 H new ATOM 166 N HIS A 18 -1.030 6.777 5.509 1.00 0.00 N ATOM 167 CA HIS A 18 0.288 6.550 4.925 1.00 0.00 C ATOM 168 C HIS A 18 0.987 7.841 4.492 1.00 0.00 C ATOM 169 O HIS A 18 0.444 8.943 4.599 1.00 0.00 O ATOM 170 CB HIS A 18 0.109 5.639 3.704 1.00 0.00 C ATOM 171 CG HIS A 18 -0.188 4.219 4.075 1.00 0.00 C ATOM 172 ND1 HIS A 18 0.776 3.271 4.296 1.00 0.00 N ATOM 173 CD2 HIS A 18 -1.399 3.584 4.044 1.00 0.00 C ATOM 174 CE1 HIS A 18 0.171 2.084 4.376 1.00 0.00 C ATOM 175 NE2 HIS A 18 -1.154 2.219 4.238 1.00 0.00 N ATOM 0 H HIS A 18 -1.715 7.055 4.806 1.00 0.00 H new ATOM 0 HA HIS A 18 0.920 6.095 5.687 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.701 6.025 3.085 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.015 5.669 3.099 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.778 3.442 4.384 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.363 4.048 3.897 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.680 1.144 4.531 1.00 0.00 H new ATOM 176 N THR A 19 2.204 7.659 3.973 1.00 0.00 N ATOM 177 CA THR A 19 2.986 8.610 3.203 1.00 0.00 C ATOM 178 C THR A 19 3.668 7.828 2.066 1.00 0.00 C ATOM 179 O THR A 19 3.815 6.611 2.179 1.00 0.00 O ATOM 180 CB THR A 19 4.020 9.293 4.114 1.00 0.00 C ATOM 181 OG1 THR A 19 4.830 8.350 4.803 1.00 0.00 O ATOM 182 CG2 THR A 19 3.352 10.228 5.123 1.00 0.00 C ATOM 0 H THR A 19 2.699 6.775 4.093 1.00 0.00 H new ATOM 0 HA THR A 19 2.356 9.395 2.784 1.00 0.00 H new ATOM 0 HB THR A 19 4.661 9.882 3.458 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.686 8.439 5.768 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.114 10.692 5.749 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.799 11.002 4.591 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.666 9.657 5.749 1.00 0.00 H new ATOM 183 N VAL A 20 4.044 8.494 0.965 1.00 0.00 N ATOM 184 CA VAL A 20 4.775 7.899 -0.162 1.00 0.00 C ATOM 185 C VAL A 20 6.038 8.707 -0.515 1.00 0.00 C ATOM 186 O VAL A 20 6.759 8.383 -1.458 1.00 0.00 O ATOM 187 CB VAL A 20 3.797 7.751 -1.342 1.00 0.00 C ATOM 188 CG1 VAL A 20 3.455 9.085 -2.019 1.00 0.00 C ATOM 189 CG2 VAL A 20 4.271 6.736 -2.393 1.00 0.00 C ATOM 0 H VAL A 20 3.843 9.485 0.831 1.00 0.00 H new ATOM 0 HA VAL A 20 5.146 6.911 0.109 1.00 0.00 H new ATOM 0 HB VAL A 20 2.884 7.365 -0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.762 8.908 -2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.993 9.754 -1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.367 9.542 -2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.539 6.677 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.232 7.054 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.379 5.756 -1.929 1.00 0.00 H new ATOM 190 N GLU A 21 6.309 9.775 0.238 1.00 0.00 N ATOM 191 CA GLU A 21 7.459 10.640 0.050 1.00 0.00 C ATOM 192 C GLU A 21 8.718 9.976 0.617 1.00 0.00 C ATOM 193 O GLU A 21 8.634 9.178 1.555 1.00 0.00 O ATOM 194 CB GLU A 21 7.151 11.977 0.737 1.00 0.00 C ATOM 195 CG GLU A 21 7.019 11.815 2.259 1.00 0.00 C ATOM 196 CD GLU A 21 6.039 12.801 2.876 1.00 0.00 C ATOM 197 OE1 GLU A 21 6.066 13.974 2.453 1.00 0.00 O ATOM 198 OE2 GLU A 21 5.261 12.342 3.742 1.00 0.00 O ATOM 0 H GLU A 21 5.714 10.064 1.015 1.00 0.00 H new ATOM 0 HA GLU A 21 7.651 10.817 -1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.943 12.692 0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.226 12.390 0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.695 10.799 2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.998 11.947 2.720 1.00 0.00 H new ATOM 199 N LYS A 22 9.890 10.314 0.070 1.00 0.00 N ATOM 200 CA LYS A 22 11.160 9.854 0.578 1.00 0.00 C ATOM 201 C LYS A 22 11.357 10.342 2.015 1.00 0.00 C ATOM 202 O LYS A 22 11.678 11.505 2.239 1.00 0.00 O ATOM 203 CB LYS A 22 12.272 10.370 -0.342 1.00 0.00 C ATOM 204 CG LYS A 22 12.418 9.512 -1.598 1.00 0.00 C ATOM 205 CD LYS A 22 13.857 9.416 -2.112 1.00 0.00 C ATOM 206 CE LYS A 22 14.387 10.761 -2.621 1.00 0.00 C ATOM 207 NZ LYS A 22 15.766 10.641 -3.139 1.00 0.00 N ATOM 0 H LYS A 22 9.971 10.921 -0.746 1.00 0.00 H new ATOM 0 HA LYS A 22 11.189 8.764 0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.057 11.399 -0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.217 10.381 0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.049 8.508 -1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.787 9.925 -2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.502 9.054 -1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.904 8.682 -2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.733 11.136 -3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.364 11.492 -1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.093 11.569 -3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.394 10.307 -2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.783 9.962 -3.927 1.00 0.00 H new ATOM 208 N GLY A 23 11.186 9.432 2.976 1.00 0.00 N ATOM 209 CA GLY A 23 11.402 9.704 4.387 1.00 0.00 C ATOM 210 C GLY A 23 10.139 10.203 5.083 1.00 0.00 C ATOM 211 O GLY A 23 10.226 10.745 6.182 1.00 0.00 O ATOM 0 H GLY A 23 10.890 8.474 2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.751 8.797 4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.191 10.448 4.494 1.00 0.00 H new ATOM 212 N GLY A 24 8.959 10.002 4.485 1.00 0.00 N ATOM 213 CA GLY A 24 7.720 10.268 5.200 1.00 0.00 C ATOM 214 C GLY A 24 7.613 9.342 6.414 1.00 0.00 C ATOM 215 O GLY A 24 8.079 8.204 6.350 1.00 0.00 O ATOM 0 H GLY A 24 8.843 9.664 3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.691 11.309 5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.867 10.115 4.538 1.00 0.00 H new ATOM 216 N PRO A 25 7.025 9.795 7.529 1.00 0.00 N ATOM 217 CA PRO A 25 6.901 8.979 8.724 1.00 0.00 C ATOM 218 C PRO A 25 5.925 7.814 8.511 1.00 0.00 C ATOM 219 O PRO A 25 4.967 7.918 7.738 1.00 0.00 O ATOM 220 CB PRO A 25 6.426 9.937 9.823 1.00 0.00 C ATOM 221 CG PRO A 25 5.708 11.046 9.050 1.00 0.00 C ATOM 222 CD PRO A 25 6.511 11.136 7.753 1.00 0.00 C ATOM 0 HA PRO A 25 7.847 8.509 8.993 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.757 9.440 10.526 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.262 10.329 10.402 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.664 10.796 8.862 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.716 11.989 9.596 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.883 11.461 6.923 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.322 11.859 7.841 1.00 0.00 H new ATOM 223 N HIS A 26 6.164 6.716 9.241 1.00 0.00 N ATOM 224 CA HIS A 26 5.228 5.609 9.370 1.00 0.00 C ATOM 225 C HIS A 26 4.156 6.058 10.367 1.00 0.00 C ATOM 226 O HIS A 26 4.324 5.880 11.570 1.00 0.00 O ATOM 227 CB HIS A 26 5.943 4.319 9.833 1.00 0.00 C ATOM 228 CG HIS A 26 7.227 4.008 9.102 1.00 0.00 C ATOM 229 ND1 HIS A 26 7.387 3.138 8.047 1.00 0.00 N ATOM 230 CD2 HIS A 26 8.460 4.533 9.392 1.00 0.00 C ATOM 231 CE1 HIS A 26 8.678 3.188 7.675 1.00 0.00 C ATOM 232 NE2 HIS A 26 9.371 4.021 8.465 1.00 0.00 N ATOM 0 H HIS A 26 7.029 6.577 9.764 1.00 0.00 H new ATOM 0 HA HIS A 26 4.776 5.364 8.409 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.159 4.403 10.898 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.260 3.478 9.712 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.686 5.220 10.194 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.100 2.632 6.851 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.366 4.238 8.402 1.00 0.00 H new ATOM 233 N LYS A 27 3.106 6.716 9.873 1.00 0.00 N ATOM 234 CA LYS A 27 2.052 7.288 10.694 1.00 0.00 C ATOM 235 C LYS A 27 1.150 6.171 11.240 1.00 0.00 C ATOM 236 O LYS A 27 1.517 5.480 12.187 1.00 0.00 O ATOM 237 CB LYS A 27 1.265 8.289 9.848 1.00 0.00 C ATOM 238 CG LYS A 27 2.054 9.519 9.400 1.00 0.00 C ATOM 239 CD LYS A 27 1.100 10.517 8.723 1.00 0.00 C ATOM 240 CE LYS A 27 0.232 9.827 7.653 1.00 0.00 C ATOM 241 NZ LYS A 27 -0.430 10.767 6.730 1.00 0.00 N ATOM 0 H LYS A 27 2.967 6.866 8.874 1.00 0.00 H new ATOM 0 HA LYS A 27 2.475 7.812 11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.888 7.776 8.963 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.397 8.621 10.418 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.539 9.986 10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.843 9.226 8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.458 10.976 9.475 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.677 11.320 8.264 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.856 9.144 7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.528 9.223 8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.941 10.233 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.102 11.358 7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.285 11.374 6.280 1.00 0.00 H new ATOM 242 N VAL A 28 -0.037 5.977 10.653 1.00 0.00 N ATOM 243 CA VAL A 28 -0.885 4.846 10.985 1.00 0.00 C ATOM 244 C VAL A 28 -0.393 3.660 10.169 1.00 0.00 C ATOM 245 O VAL A 28 -0.194 2.586 10.728 1.00 0.00 O ATOM 246 CB VAL A 28 -2.362 5.182 10.729 1.00 0.00 C ATOM 247 CG1 VAL A 28 -3.259 3.943 10.830 1.00 0.00 C ATOM 248 CG2 VAL A 28 -2.849 6.199 11.760 1.00 0.00 C ATOM 0 H VAL A 28 -0.426 6.597 9.943 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.824 4.598 12.045 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.426 5.585 9.718 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.294 4.227 10.642 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.945 3.205 10.091 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.176 3.514 11.829 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.897 6.433 11.573 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.743 5.781 12.761 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.254 7.109 11.682 1.00 0.00 H new ATOM 249 N GLY A 29 -0.179 3.862 8.865 1.00 0.00 N ATOM 250 CA GLY A 29 0.430 2.890 7.971 1.00 0.00 C ATOM 251 C GLY A 29 1.881 3.285 7.678 1.00 0.00 C ATOM 252 O GLY A 29 2.247 4.449 7.849 1.00 0.00 O ATOM 0 H GLY A 29 -0.434 4.731 8.396 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.398 1.898 8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.136 2.835 7.041 1.00 0.00 H new ATOM 253 N PRO A 30 2.725 2.333 7.248 1.00 0.00 N ATOM 254 CA PRO A 30 4.124 2.594 6.953 1.00 0.00 C ATOM 255 C PRO A 30 4.292 3.415 5.679 1.00 0.00 C ATOM 256 O PRO A 30 3.431 3.408 4.806 1.00 0.00 O ATOM 257 CB PRO A 30 4.786 1.224 6.812 1.00 0.00 C ATOM 258 CG PRO A 30 3.633 0.329 6.359 1.00 0.00 C ATOM 259 CD PRO A 30 2.420 0.925 7.073 1.00 0.00 C ATOM 0 HA PRO A 30 4.583 3.183 7.747 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.595 1.240 6.082 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.214 0.884 7.755 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.511 0.348 5.276 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.796 -0.711 6.643 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.513 0.790 6.484 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.252 0.438 8.033 1.00 0.00 H new ATOM 260 N ASN A 31 5.420 4.108 5.549 1.00 0.00 N ATOM 261 CA ASN A 31 5.737 4.826 4.324 1.00 0.00 C ATOM 262 C ASN A 31 5.838 3.850 3.145 1.00 0.00 C ATOM 263 O ASN A 31 6.463 2.801 3.275 1.00 0.00 O ATOM 264 CB ASN A 31 7.043 5.591 4.508 1.00 0.00 C ATOM 265 CG ASN A 31 7.405 6.362 3.246 1.00 0.00 C ATOM 266 OD1 ASN A 31 8.080 5.834 2.370 1.00 0.00 O ATOM 267 ND2 ASN A 31 6.952 7.604 3.125 1.00 0.00 N ATOM 0 H ASN A 31 6.128 4.186 6.279 1.00 0.00 H new ATOM 0 HA ASN A 31 4.940 5.536 4.104 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.949 6.281 5.346 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.845 4.895 4.756 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.164 8.145 2.286 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.392 8.018 3.871 1.00 0.00 H new ATOM 268 N LEU A 32 5.214 4.187 2.013 1.00 0.00 N ATOM 269 CA LEU A 32 5.093 3.323 0.843 1.00 0.00 C ATOM 270 C LEU A 32 6.071 3.716 -0.271 1.00 0.00 C ATOM 271 O LEU A 32 5.921 3.263 -1.407 1.00 0.00 O ATOM 272 CB LEU A 32 3.635 3.368 0.345 1.00 0.00 C ATOM 273 CG LEU A 32 2.614 2.865 1.382 1.00 0.00 C ATOM 274 CD1 LEU A 32 1.202 2.956 0.795 1.00 0.00 C ATOM 275 CD2 LEU A 32 2.883 1.417 1.809 1.00 0.00 C ATOM 0 H LEU A 32 4.767 5.095 1.885 1.00 0.00 H new ATOM 0 HA LEU A 32 5.354 2.305 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.385 4.393 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.550 2.765 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 32 2.708 3.498 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.479 2.600 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.980 3.992 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.141 2.341 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.136 1.109 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.828 0.764 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.876 1.347 2.252 1.00 0.00 H new ATOM 276 N HIS A 33 7.080 4.547 0.009 1.00 0.00 N ATOM 277 CA HIS A 33 8.088 4.849 -0.996 1.00 0.00 C ATOM 278 C HIS A 33 8.938 3.601 -1.253 1.00 0.00 C ATOM 279 O HIS A 33 9.156 2.805 -0.342 1.00 0.00 O ATOM 280 CB HIS A 33 8.951 6.027 -0.549 1.00 0.00 C ATOM 281 CG HIS A 33 9.709 6.629 -1.698 1.00 0.00 C ATOM 282 ND1 HIS A 33 9.272 7.664 -2.490 1.00 0.00 N ATOM 283 CD2 HIS A 33 10.942 6.241 -2.150 1.00 0.00 C ATOM 284 CE1 HIS A 33 10.247 7.920 -3.381 1.00 0.00 C ATOM 285 NE2 HIS A 33 11.291 7.092 -3.199 1.00 0.00 N ATOM 0 H HIS A 33 7.215 5.012 0.907 1.00 0.00 H new ATOM 0 HA HIS A 33 7.600 5.136 -1.928 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.319 6.788 -0.092 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.653 5.694 0.215 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.377 8.147 -2.416 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.536 5.425 -1.765 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.198 8.687 -4.140 1.00 0.00 H new ATOM 286 N GLY A 34 9.400 3.403 -2.491 1.00 0.00 N ATOM 287 CA GLY A 34 10.196 2.241 -2.872 1.00 0.00 C ATOM 288 C GLY A 34 9.548 0.885 -2.564 1.00 0.00 C ATOM 289 O GLY A 34 10.247 -0.125 -2.538 1.00 0.00 O ATOM 0 H GLY A 34 9.229 4.051 -3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.402 2.294 -3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.157 2.293 -2.360 1.00 0.00 H new ATOM 290 N ILE A 35 8.226 0.844 -2.365 1.00 0.00 N ATOM 291 CA ILE A 35 7.502 -0.386 -2.054 1.00 0.00 C ATOM 292 C ILE A 35 7.622 -1.376 -3.222 1.00 0.00 C ATOM 293 O ILE A 35 7.957 -2.543 -3.033 1.00 0.00 O ATOM 294 CB ILE A 35 6.047 -0.039 -1.666 1.00 0.00 C ATOM 295 CG1 ILE A 35 5.221 -1.238 -1.182 1.00 0.00 C ATOM 296 CG2 ILE A 35 5.244 0.603 -2.799 1.00 0.00 C ATOM 297 CD1 ILE A 35 5.411 -1.498 0.307 1.00 0.00 C ATOM 0 H ILE A 35 7.628 1.669 -2.416 1.00 0.00 H new ATOM 0 HA ILE A 35 7.941 -0.889 -1.192 1.00 0.00 H new ATOM 0 HB ILE A 35 6.194 0.669 -0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.166 -1.058 -1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.508 -2.126 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.233 0.818 -2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.727 1.530 -3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.199 -0.081 -3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.808 -2.355 0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.462 -1.705 0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.099 -0.620 0.872 1.00 0.00 H new ATOM 298 N PHE A 36 7.371 -0.898 -4.444 1.00 0.00 N ATOM 299 CA PHE A 36 7.404 -1.711 -5.646 1.00 0.00 C ATOM 300 C PHE A 36 8.811 -2.240 -5.889 1.00 0.00 C ATOM 301 O PHE A 36 9.672 -1.520 -6.388 1.00 0.00 O ATOM 302 CB PHE A 36 6.887 -0.922 -6.852 1.00 0.00 C ATOM 303 CG PHE A 36 5.379 -0.789 -6.858 1.00 0.00 C ATOM 304 CD1 PHE A 36 4.761 0.240 -6.129 1.00 0.00 C ATOM 305 CD2 PHE A 36 4.591 -1.815 -7.412 1.00 0.00 C ATOM 306 CE1 PHE A 36 3.376 0.220 -5.923 1.00 0.00 C ATOM 307 CE2 PHE A 36 3.193 -1.789 -7.265 1.00 0.00 C ATOM 308 CZ PHE A 36 2.582 -0.768 -6.522 1.00 0.00 C ATOM 0 H PHE A 36 7.137 0.079 -4.620 1.00 0.00 H new ATOM 0 HA PHE A 36 6.742 -2.566 -5.506 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.336 0.071 -6.851 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.208 -1.416 -7.769 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.355 1.048 -5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.061 -2.624 -7.951 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.916 0.971 -5.298 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.588 -2.557 -7.725 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.508 -0.743 -6.412 1.00 0.00 H new ATOM 309 N GLY A 37 9.023 -3.510 -5.549 1.00 0.00 N ATOM 310 CA GLY A 37 10.297 -4.188 -5.719 1.00 0.00 C ATOM 311 C GLY A 37 11.052 -4.308 -4.397 1.00 0.00 C ATOM 312 O GLY A 37 12.238 -4.648 -4.390 1.00 0.00 O ATOM 0 H GLY A 37 8.300 -4.102 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.128 -5.182 -6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.907 -3.642 -6.439 1.00 0.00 H new ATOM 313 N ARG A 38 10.394 -4.047 -3.266 1.00 0.00 N ATOM 314 CA ARG A 38 10.907 -4.358 -1.953 1.00 0.00 C ATOM 315 C ARG A 38 9.848 -5.196 -1.259 1.00 0.00 C ATOM 316 O ARG A 38 8.676 -4.832 -1.251 1.00 0.00 O ATOM 317 CB ARG A 38 11.190 -3.062 -1.197 1.00 0.00 C ATOM 318 CG ARG A 38 12.416 -2.322 -1.751 1.00 0.00 C ATOM 319 CD ARG A 38 13.730 -3.022 -1.369 1.00 0.00 C ATOM 320 NE ARG A 38 14.882 -2.478 -2.107 1.00 0.00 N ATOM 321 CZ ARG A 38 15.410 -3.009 -3.224 1.00 0.00 C ATOM 322 NH1 ARG A 38 14.753 -3.940 -3.925 1.00 0.00 N ATOM 323 NH2 ARG A 38 16.617 -2.608 -3.638 1.00 0.00 N ATOM 0 H ARG A 38 9.475 -3.606 -3.249 1.00 0.00 H new ATOM 0 HA ARG A 38 11.845 -4.912 -1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.318 -2.411 -1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.349 -3.286 -0.142 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.341 -2.258 -2.837 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.425 -1.300 -1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.901 -2.912 -0.298 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.643 -4.090 -1.569 1.00 0.00 H new ATOM 0 HE ARG A 38 15.315 -1.630 -1.741 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.835 -4.259 -3.615 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.170 -4.331 -4.770 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.130 -1.904 -3.107 1.00 0.00 H new ATOM 0 HH22 ARG A 38 17.024 -3.006 -4.484 1.00 0.00 H new ATOM 324 N GLN A 39 10.250 -6.351 -0.730 1.00 0.00 N ATOM 325 CA GLN A 39 9.303 -7.285 -0.186 1.00 0.00 C ATOM 326 C GLN A 39 8.614 -6.673 1.037 1.00 0.00 C ATOM 327 O GLN A 39 9.160 -5.792 1.700 1.00 0.00 O ATOM 328 CB GLN A 39 10.020 -8.584 0.170 1.00 0.00 C ATOM 329 CG GLN A 39 10.642 -9.266 -1.057 1.00 0.00 C ATOM 330 CD GLN A 39 11.235 -10.618 -0.690 1.00 0.00 C ATOM 331 OE1 GLN A 39 10.498 -11.549 -0.381 1.00 0.00 O ATOM 332 NE2 GLN A 39 12.558 -10.743 -0.699 1.00 0.00 N ATOM 0 H GLN A 39 11.224 -6.649 -0.673 1.00 0.00 H new ATOM 0 HA GLN A 39 8.534 -7.509 -0.926 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.801 -8.376 0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.315 -9.267 0.643 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.883 -9.396 -1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.418 -8.627 -1.478 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.143 -9.950 -0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.988 -11.632 -0.444 1.00 0.00 H new ATOM 333 N SER A 40 7.414 -7.166 1.318 1.00 0.00 N ATOM 334 CA SER A 40 6.585 -6.765 2.436 1.00 0.00 C ATOM 335 C SER A 40 7.319 -6.996 3.754 1.00 0.00 C ATOM 336 O SER A 40 8.251 -7.798 3.824 1.00 0.00 O ATOM 337 CB SER A 40 5.276 -7.561 2.368 1.00 0.00 C ATOM 338 OG SER A 40 5.570 -8.938 2.467 1.00 0.00 O ATOM 0 H SER A 40 6.978 -7.888 0.744 1.00 0.00 H new ATOM 0 HA SER A 40 6.360 -5.700 2.383 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.609 -7.259 3.176 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.757 -7.353 1.432 1.00 0.00 H new ATOM 0 HG SER A 40 5.122 -9.312 3.254 1.00 0.00 H new ATOM 339 N GLY A 41 6.903 -6.287 4.805 1.00 0.00 N ATOM 340 CA GLY A 41 7.469 -6.535 6.120 1.00 0.00 C ATOM 341 C GLY A 41 8.969 -6.214 6.172 1.00 0.00 C ATOM 342 O GLY A 41 9.742 -6.992 6.725 1.00 0.00 O ATOM 0 H GLY A 41 6.193 -5.555 4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.944 -5.932 6.860 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.312 -7.579 6.391 1.00 0.00 H new ATOM 343 N GLN A 42 9.377 -5.056 5.632 1.00 0.00 N ATOM 344 CA GLN A 42 10.768 -4.593 5.640 1.00 0.00 C ATOM 345 C GLN A 42 11.042 -3.496 6.679 1.00 0.00 C ATOM 346 O GLN A 42 12.117 -3.473 7.275 1.00 0.00 O ATOM 347 CB GLN A 42 11.234 -4.157 4.247 1.00 0.00 C ATOM 348 CG GLN A 42 10.257 -3.178 3.583 1.00 0.00 C ATOM 349 CD GLN A 42 10.834 -2.378 2.416 1.00 0.00 C ATOM 350 OE1 GLN A 42 10.107 -1.647 1.752 1.00 0.00 O ATOM 351 NE2 GLN A 42 12.137 -2.461 2.146 1.00 0.00 N ATOM 0 H GLN A 42 8.739 -4.407 5.171 1.00 0.00 H new ATOM 0 HA GLN A 42 11.358 -5.458 5.941 1.00 0.00 H new ATOM 0 HB2 GLN A 42 12.216 -3.690 4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.349 -5.037 3.614 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.392 -3.738 3.227 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.896 -2.480 4.339 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.735 -3.071 2.703 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.536 -1.914 1.383 1.00 0.00 H new ATOM 352 N ALA A 43 10.105 -2.564 6.883 1.00 0.00 N ATOM 353 CA ALA A 43 10.263 -1.435 7.797 1.00 0.00 C ATOM 354 C ALA A 43 10.159 -1.883 9.260 1.00 0.00 C ATOM 355 O ALA A 43 9.193 -1.561 9.946 1.00 0.00 O ATOM 356 CB ALA A 43 9.225 -0.362 7.459 1.00 0.00 C ATOM 0 H ALA A 43 9.202 -2.576 6.409 1.00 0.00 H new ATOM 0 HA ALA A 43 11.259 -1.011 7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.340 0.482 8.139 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.372 -0.024 6.433 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.223 -0.779 7.564 1.00 0.00 H new ATOM 357 N GLU A 44 11.161 -2.635 9.722 1.00 0.00 N ATOM 358 CA GLU A 44 11.250 -3.208 11.058 1.00 0.00 C ATOM 359 C GLU A 44 10.912 -2.210 12.176 1.00 0.00 C ATOM 360 O GLU A 44 10.055 -2.502 13.009 1.00 0.00 O ATOM 361 CB GLU A 44 12.599 -3.932 11.221 1.00 0.00 C ATOM 362 CG GLU A 44 13.852 -3.152 10.779 1.00 0.00 C ATOM 363 CD GLU A 44 14.441 -2.312 11.899 1.00 0.00 C ATOM 364 OE1 GLU A 44 15.111 -2.908 12.767 1.00 0.00 O ATOM 365 OE2 GLU A 44 14.182 -1.089 11.862 1.00 0.00 O ATOM 0 H GLU A 44 11.968 -2.869 9.144 1.00 0.00 H new ATOM 0 HA GLU A 44 10.469 -3.960 11.168 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.717 -4.202 12.270 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.558 -4.862 10.655 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.605 -3.854 10.421 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.596 -2.505 9.940 1.00 0.00 H new ATOM 366 N GLY A 45 11.557 -1.041 12.208 1.00 0.00 N ATOM 367 CA GLY A 45 11.323 0.001 13.199 1.00 0.00 C ATOM 368 C GLY A 45 9.964 0.692 13.045 1.00 0.00 C ATOM 369 O GLY A 45 9.906 1.894 12.792 1.00 0.00 O ATOM 0 H GLY A 45 12.273 -0.791 11.526 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.390 -0.434 14.196 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.113 0.748 13.123 1.00 0.00 H new ATOM 370 N TYR A 46 8.872 -0.053 13.231 1.00 0.00 N ATOM 371 CA TYR A 46 7.495 0.405 13.151 1.00 0.00 C ATOM 372 C TYR A 46 6.600 -0.750 13.632 1.00 0.00 C ATOM 373 O TYR A 46 7.046 -1.895 13.715 1.00 0.00 O ATOM 374 CB TYR A 46 7.190 0.868 11.717 1.00 0.00 C ATOM 375 CG TYR A 46 5.727 0.884 11.342 1.00 0.00 C ATOM 376 CD1 TYR A 46 4.875 1.912 11.793 1.00 0.00 C ATOM 377 CD2 TYR A 46 5.197 -0.199 10.625 1.00 0.00 C ATOM 378 CE1 TYR A 46 3.499 1.866 11.506 1.00 0.00 C ATOM 379 CE2 TYR A 46 3.840 -0.206 10.289 1.00 0.00 C ATOM 380 CZ TYR A 46 2.981 0.785 10.775 1.00 0.00 C ATOM 381 OH TYR A 46 1.652 0.684 10.506 1.00 0.00 O ATOM 0 H TYR A 46 8.935 -1.046 13.454 1.00 0.00 H new ATOM 0 HA TYR A 46 7.306 1.268 13.789 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.594 1.872 11.583 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.719 0.216 11.022 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.280 2.737 12.360 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.833 -1.022 10.334 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.846 2.656 11.845 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.451 -0.984 9.648 1.00 0.00 H new ATOM 0 HH TYR A 46 1.217 1.546 10.676 1.00 0.00 H new ATOM 382 N SER A 47 5.346 -0.464 13.995 1.00 0.00 N ATOM 383 CA SER A 47 4.415 -1.447 14.528 1.00 0.00 C ATOM 384 C SER A 47 3.945 -2.404 13.427 1.00 0.00 C ATOM 385 O SER A 47 2.859 -2.218 12.880 1.00 0.00 O ATOM 386 CB SER A 47 3.238 -0.693 15.150 1.00 0.00 C ATOM 387 OG SER A 47 2.710 0.205 14.195 1.00 0.00 O ATOM 0 H SER A 47 4.949 0.473 13.923 1.00 0.00 H new ATOM 0 HA SER A 47 4.904 -2.057 15.288 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.469 -1.395 15.472 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.565 -0.150 16.037 1.00 0.00 H new ATOM 0 HG SER A 47 2.534 -0.274 13.358 1.00 0.00 H new ATOM 388 N TYR A 48 4.770 -3.401 13.109 1.00 0.00 N ATOM 389 CA TYR A 48 4.524 -4.424 12.105 1.00 0.00 C ATOM 390 C TYR A 48 3.915 -5.697 12.709 1.00 0.00 C ATOM 391 O TYR A 48 3.583 -5.723 13.894 1.00 0.00 O ATOM 392 CB TYR A 48 5.878 -4.746 11.466 1.00 0.00 C ATOM 393 CG TYR A 48 6.232 -4.113 10.142 1.00 0.00 C ATOM 394 CD1 TYR A 48 5.289 -3.588 9.227 1.00 0.00 C ATOM 395 CD2 TYR A 48 7.551 -4.314 9.729 1.00 0.00 C ATOM 396 CE1 TYR A 48 5.697 -3.206 7.937 1.00 0.00 C ATOM 397 CE2 TYR A 48 7.919 -4.042 8.415 1.00 0.00 C ATOM 398 CZ TYR A 48 7.019 -3.435 7.526 1.00 0.00 C ATOM 399 OH TYR A 48 7.401 -3.201 6.234 1.00 0.00 O ATOM 0 H TYR A 48 5.672 -3.519 13.570 1.00 0.00 H new ATOM 0 HA TYR A 48 3.804 -4.055 11.374 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.653 -4.469 12.181 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.933 -5.827 11.339 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.255 -3.481 9.520 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.286 -4.681 10.430 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.994 -2.737 7.264 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.911 -4.302 8.075 1.00 0.00 H new ATOM 0 HH TYR A 48 6.608 -3.174 5.658 1.00 0.00 H new ATOM 400 N THR A 49 3.790 -6.761 11.896 1.00 0.00 N ATOM 401 CA THR A 49 3.233 -8.040 12.313 1.00 0.00 C ATOM 402 C THR A 49 4.050 -9.220 11.770 1.00 0.00 C ATOM 403 O THR A 49 4.590 -9.169 10.661 1.00 0.00 O ATOM 404 CB THR A 49 1.762 -8.150 11.876 1.00 0.00 C ATOM 405 OG1 THR A 49 1.633 -8.463 10.508 1.00 0.00 O ATOM 406 CG2 THR A 49 0.977 -6.864 12.116 1.00 0.00 C ATOM 0 H THR A 49 4.080 -6.746 10.918 1.00 0.00 H new ATOM 0 HA THR A 49 3.281 -8.085 13.401 1.00 0.00 H new ATOM 0 HB THR A 49 1.356 -8.953 12.490 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.683 -8.540 10.278 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.054 -7.000 11.789 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.991 -6.622 13.179 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.432 -6.050 11.552 1.00 0.00 H new ATOM 407 N ASP A 50 4.087 -10.308 12.552 1.00 0.00 N ATOM 408 CA ASP A 50 4.591 -11.613 12.140 1.00 0.00 C ATOM 409 C ASP A 50 3.943 -12.032 10.824 1.00 0.00 C ATOM 410 O ASP A 50 4.614 -12.439 9.881 1.00 0.00 O ATOM 411 CB ASP A 50 4.248 -12.632 13.228 1.00 0.00 C ATOM 412 CG ASP A 50 4.734 -14.030 12.881 1.00 0.00 C ATOM 413 OD1 ASP A 50 5.955 -14.277 12.932 1.00 0.00 O ATOM 414 OD2 ASP A 50 3.894 -14.908 12.590 1.00 0.00 O ATOM 0 H ASP A 50 3.756 -10.297 13.517 1.00 0.00 H new ATOM 0 HA ASP A 50 5.671 -11.563 11.998 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.695 -12.318 14.171 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.168 -12.651 13.378 1.00 0.00 H new ATOM 415 N ALA A 51 2.616 -11.905 10.781 1.00 0.00 N ATOM 416 CA ALA A 51 1.809 -12.190 9.607 1.00 0.00 C ATOM 417 C ALA A 51 2.345 -11.462 8.371 1.00 0.00 C ATOM 418 O ALA A 51 2.624 -12.111 7.365 1.00 0.00 O ATOM 419 CB ALA A 51 0.346 -11.833 9.876 1.00 0.00 C ATOM 0 H ALA A 51 2.066 -11.594 11.582 1.00 0.00 H new ATOM 0 HA ALA A 51 1.869 -13.258 9.398 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.250 -12.050 8.990 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.024 -12.422 10.716 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.268 -10.772 10.114 1.00 0.00 H new ATOM 420 N ASN A 52 2.498 -10.132 8.427 1.00 0.00 N ATOM 421 CA ASN A 52 3.021 -9.376 7.293 1.00 0.00 C ATOM 422 C ASN A 52 4.383 -9.945 6.882 1.00 0.00 C ATOM 423 O ASN A 52 4.551 -10.347 5.732 1.00 0.00 O ATOM 424 CB ASN A 52 3.057 -7.867 7.600 1.00 0.00 C ATOM 425 CG ASN A 52 3.530 -7.032 6.404 1.00 0.00 C ATOM 426 OD1 ASN A 52 4.372 -7.460 5.629 1.00 0.00 O ATOM 427 ND2 ASN A 52 2.997 -5.828 6.217 1.00 0.00 N ATOM 0 H ASN A 52 2.267 -9.565 9.243 1.00 0.00 H new ATOM 0 HA ASN A 52 2.353 -9.485 6.439 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.062 -7.537 7.898 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.719 -7.688 8.447 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.291 -5.258 5.424 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.294 -5.475 6.867 1.00 0.00 H new ATOM 428 N ILE A 53 5.323 -10.048 7.827 1.00 0.00 N ATOM 429 CA ILE A 53 6.661 -10.571 7.557 1.00 0.00 C ATOM 430 C ILE A 53 6.586 -11.932 6.848 1.00 0.00 C ATOM 431 O ILE A 53 7.113 -12.105 5.753 1.00 0.00 O ATOM 432 CB ILE A 53 7.475 -10.608 8.865 1.00 0.00 C ATOM 433 CG1 ILE A 53 7.739 -9.168 9.347 1.00 0.00 C ATOM 434 CG2 ILE A 53 8.808 -11.347 8.664 1.00 0.00 C ATOM 435 CD1 ILE A 53 8.203 -9.109 10.805 1.00 0.00 C ATOM 0 H ILE A 53 5.176 -9.771 8.798 1.00 0.00 H new ATOM 0 HA ILE A 53 7.185 -9.907 6.869 1.00 0.00 H new ATOM 0 HB ILE A 53 6.899 -11.147 9.617 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.495 -8.709 8.710 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.829 -8.579 9.236 1.00 0.00 H new ATOM 0 HG21 ILE A 53 9.363 -11.359 9.602 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.612 -12.371 8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.396 -10.836 7.901 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.374 -8.071 11.091 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.437 -9.541 11.448 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.129 -9.673 10.915 1.00 0.00 H new ATOM 436 N LYS A 54 5.902 -12.910 7.444 1.00 0.00 N ATOM 437 CA LYS A 54 5.753 -14.236 6.856 1.00 0.00 C ATOM 438 C LYS A 54 5.002 -14.198 5.523 1.00 0.00 C ATOM 439 O LYS A 54 5.162 -15.095 4.693 1.00 0.00 O ATOM 440 CB LYS A 54 5.054 -15.169 7.843 1.00 0.00 C ATOM 441 CG LYS A 54 5.991 -15.479 9.013 1.00 0.00 C ATOM 442 CD LYS A 54 5.326 -16.462 9.977 1.00 0.00 C ATOM 443 CE LYS A 54 6.280 -16.777 11.137 1.00 0.00 C ATOM 444 NZ LYS A 54 5.542 -17.005 12.393 1.00 0.00 N ATOM 0 H LYS A 54 5.438 -12.803 8.346 1.00 0.00 H new ATOM 0 HA LYS A 54 6.752 -14.618 6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.139 -14.705 8.211 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.764 -16.093 7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.924 -15.900 8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.245 -14.558 9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.399 -16.038 10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.063 -17.380 9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.871 -17.660 10.895 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.980 -15.952 11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.132 -16.716 13.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.666 -16.445 12.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.307 -18.014 12.479 1.00 0.00 H new ATOM 445 N LYS A 55 4.212 -13.151 5.288 1.00 0.00 N ATOM 446 CA LYS A 55 3.625 -12.875 3.993 1.00 0.00 C ATOM 447 C LYS A 55 4.563 -12.013 3.142 1.00 0.00 C ATOM 448 O LYS A 55 4.091 -11.206 2.346 1.00 0.00 O ATOM 449 CB LYS A 55 2.219 -12.283 4.153 1.00 0.00 C ATOM 450 CG LYS A 55 1.304 -12.431 2.923 1.00 0.00 C ATOM 451 CD LYS A 55 1.126 -13.887 2.451 1.00 0.00 C ATOM 452 CE LYS A 55 2.171 -14.316 1.399 1.00 0.00 C ATOM 453 NZ LYS A 55 2.758 -15.646 1.675 1.00 0.00 N ATOM 0 H LYS A 55 3.964 -12.468 6.004 1.00 0.00 H new ATOM 0 HA LYS A 55 3.501 -13.810 3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.736 -12.760 5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.313 -11.224 4.391 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.325 -12.013 3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.714 -11.841 2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.192 -14.552 3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.127 -14.007 2.032 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.703 -14.329 0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.968 -13.574 1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.676 -15.727 1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.893 -15.760 2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.118 -16.387 1.326 1.00 0.00 H new ATOM 454 N ASN A 56 5.876 -12.238 3.274 1.00 0.00 N ATOM 455 CA ASN A 56 6.940 -11.879 2.334 1.00 0.00 C ATOM 456 C ASN A 56 6.420 -11.838 0.890 1.00 0.00 C ATOM 457 O ASN A 56 6.231 -12.879 0.260 1.00 0.00 O ATOM 458 CB ASN A 56 8.104 -12.888 2.466 1.00 0.00 C ATOM 459 CG ASN A 56 9.339 -12.290 3.139 1.00 0.00 C ATOM 460 OD1 ASN A 56 9.597 -12.516 4.315 1.00 0.00 O ATOM 461 ND2 ASN A 56 10.154 -11.560 2.385 1.00 0.00 N ATOM 0 H ASN A 56 6.247 -12.709 4.099 1.00 0.00 H new ATOM 0 HA ASN A 56 7.299 -10.879 2.579 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.766 -13.751 3.040 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.377 -13.251 1.475 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.011 -11.177 2.784 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.922 -11.383 1.408 1.00 0.00 H new ATOM 462 N VAL A 57 6.152 -10.631 0.391 1.00 0.00 N ATOM 463 CA VAL A 57 5.505 -10.337 -0.878 1.00 0.00 C ATOM 464 C VAL A 57 6.250 -9.183 -1.544 1.00 0.00 C ATOM 465 O VAL A 57 6.337 -8.106 -0.971 1.00 0.00 O ATOM 466 CB VAL A 57 4.026 -9.997 -0.594 1.00 0.00 C ATOM 467 CG1 VAL A 57 3.423 -8.917 -1.492 1.00 0.00 C ATOM 468 CG2 VAL A 57 3.205 -11.283 -0.693 1.00 0.00 C ATOM 0 H VAL A 57 6.399 -9.781 0.899 1.00 0.00 H new ATOM 0 HA VAL A 57 5.533 -11.187 -1.559 1.00 0.00 H new ATOM 0 HB VAL A 57 3.994 -9.571 0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.382 -8.751 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.983 -7.990 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.473 -9.239 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.156 -11.061 -0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.305 -11.702 -1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.568 -12.004 0.040 1.00 0.00 H new ATOM 469 N LEU A 58 6.765 -9.408 -2.756 1.00 0.00 N ATOM 470 CA LEU A 58 7.523 -8.464 -3.584 1.00 0.00 C ATOM 471 C LEU A 58 6.841 -7.095 -3.737 1.00 0.00 C ATOM 472 O LEU A 58 7.526 -6.090 -3.922 1.00 0.00 O ATOM 473 CB LEU A 58 7.729 -9.163 -4.937 1.00 0.00 C ATOM 474 CG LEU A 58 8.571 -8.507 -6.041 1.00 0.00 C ATOM 475 CD1 LEU A 58 7.838 -7.438 -6.863 1.00 0.00 C ATOM 476 CD2 LEU A 58 9.879 -7.985 -5.467 1.00 0.00 C ATOM 0 H LEU A 58 6.657 -10.312 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 58 8.473 -8.225 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.174 -10.136 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.740 -9.348 -5.356 1.00 0.00 H new ATOM 0 HG LEU A 58 8.784 -9.295 -6.763 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.513 -7.033 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.973 -7.885 -7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.507 -6.636 -6.204 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.466 -7.523 -6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.668 -7.246 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.442 -8.812 -5.034 1.00 0.00 H new ATOM 477 N TRP A 59 5.504 -7.079 -3.700 1.00 0.00 N ATOM 478 CA TRP A 59 4.662 -5.931 -3.999 1.00 0.00 C ATOM 479 C TRP A 59 4.762 -5.568 -5.483 1.00 0.00 C ATOM 480 O TRP A 59 5.347 -4.554 -5.854 1.00 0.00 O ATOM 481 CB TRP A 59 4.901 -4.744 -3.047 1.00 0.00 C ATOM 482 CG TRP A 59 4.455 -4.927 -1.622 1.00 0.00 C ATOM 483 CD1 TRP A 59 5.216 -4.717 -0.522 1.00 0.00 C ATOM 484 CD2 TRP A 59 3.144 -5.338 -1.119 1.00 0.00 C ATOM 485 NE1 TRP A 59 4.461 -4.937 0.616 1.00 0.00 N ATOM 486 CE2 TRP A 59 3.203 -5.393 0.304 1.00 0.00 C ATOM 487 CE3 TRP A 59 1.913 -5.685 -1.716 1.00 0.00 C ATOM 488 CZ2 TRP A 59 2.127 -5.828 1.091 1.00 0.00 C ATOM 489 CZ3 TRP A 59 0.822 -6.108 -0.938 1.00 0.00 C ATOM 490 CH2 TRP A 59 0.935 -6.206 0.459 1.00 0.00 C ATOM 0 H TRP A 59 4.962 -7.906 -3.449 1.00 0.00 H new ATOM 0 HA TRP A 59 3.626 -6.214 -3.810 1.00 0.00 H new ATOM 0 HB2 TRP A 59 5.967 -4.518 -3.045 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.391 -3.871 -3.455 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.255 -4.422 -0.532 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.796 -4.780 1.567 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.808 -5.624 -2.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 2.216 -5.871 2.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.112 -6.360 -1.418 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.105 -6.572 1.045 1.00 0.00 H new ATOM 491 N ASP A 60 4.152 -6.406 -6.328 1.00 0.00 N ATOM 492 CA ASP A 60 3.851 -6.075 -7.714 1.00 0.00 C ATOM 493 C ASP A 60 2.445 -5.460 -7.784 1.00 0.00 C ATOM 494 O ASP A 60 1.711 -5.462 -6.797 1.00 0.00 O ATOM 495 CB ASP A 60 3.998 -7.317 -8.608 1.00 0.00 C ATOM 496 CG ASP A 60 2.649 -7.889 -9.017 1.00 0.00 C ATOM 497 OD1 ASP A 60 2.032 -8.566 -8.171 1.00 0.00 O ATOM 498 OD2 ASP A 60 2.193 -7.534 -10.126 1.00 0.00 O ATOM 0 H ASP A 60 3.852 -7.343 -6.060 1.00 0.00 H new ATOM 0 HA ASP A 60 4.562 -5.339 -8.090 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.566 -7.056 -9.501 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.569 -8.079 -8.078 1.00 0.00 H new ATOM 499 N GLU A 61 2.067 -4.942 -8.953 1.00 0.00 N ATOM 500 CA GLU A 61 0.784 -4.296 -9.191 1.00 0.00 C ATOM 501 C GLU A 61 -0.382 -5.268 -9.012 1.00 0.00 C ATOM 502 O GLU A 61 -1.402 -4.910 -8.426 1.00 0.00 O ATOM 503 CB GLU A 61 0.787 -3.670 -10.591 1.00 0.00 C ATOM 504 CG GLU A 61 1.897 -2.640 -10.706 1.00 0.00 C ATOM 505 CD GLU A 61 1.866 -1.884 -12.022 1.00 0.00 C ATOM 506 OE1 GLU A 61 2.494 -2.395 -12.977 1.00 0.00 O ATOM 507 OE2 GLU A 61 1.369 -0.740 -12.012 1.00 0.00 O ATOM 0 H GLU A 61 2.664 -4.963 -9.780 1.00 0.00 H new ATOM 0 HA GLU A 61 0.643 -3.509 -8.450 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.923 -4.447 -11.344 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.176 -3.200 -10.789 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.814 -1.930 -9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.861 -3.138 -10.601 1.00 0.00 H new ATOM 508 N ASN A 62 -0.243 -6.494 -9.518 1.00 0.00 N ATOM 509 CA ASN A 62 -1.275 -7.515 -9.409 1.00 0.00 C ATOM 510 C ASN A 62 -1.539 -7.821 -7.932 1.00 0.00 C ATOM 511 O ASN A 62 -2.657 -7.662 -7.436 1.00 0.00 O ATOM 512 CB ASN A 62 -0.828 -8.749 -10.201 1.00 0.00 C ATOM 513 CG ASN A 62 -1.921 -9.800 -10.353 1.00 0.00 C ATOM 514 OD1 ASN A 62 -2.949 -9.762 -9.687 1.00 0.00 O ATOM 515 ND2 ASN A 62 -1.718 -10.750 -11.261 1.00 0.00 N ATOM 0 H ASN A 62 0.592 -6.804 -10.015 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.218 -7.170 -9.834 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.496 -8.435 -11.191 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.031 -9.199 -9.704 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.426 -11.468 -11.415 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.854 -10.761 -11.803 1.00 0.00 H new ATOM 516 N ASN A 63 -0.482 -8.204 -7.212 1.00 0.00 N ATOM 517 CA ASN A 63 -0.527 -8.489 -5.788 1.00 0.00 C ATOM 518 C ASN A 63 -1.120 -7.303 -5.028 1.00 0.00 C ATOM 519 O ASN A 63 -2.073 -7.465 -4.265 1.00 0.00 O ATOM 520 CB ASN A 63 0.890 -8.816 -5.315 1.00 0.00 C ATOM 521 CG ASN A 63 0.932 -9.251 -3.858 1.00 0.00 C ATOM 522 OD1 ASN A 63 0.478 -8.547 -2.968 1.00 0.00 O ATOM 523 ND2 ASN A 63 1.495 -10.427 -3.588 1.00 0.00 N ATOM 0 H ASN A 63 0.446 -8.325 -7.618 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.171 -9.346 -5.592 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.304 -9.608 -5.939 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.525 -7.940 -5.448 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.553 -10.755 -2.624 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.868 -11.000 -4.345 1.00 0.00 H new ATOM 524 N MET A 64 -0.574 -6.105 -5.272 1.00 0.00 N ATOM 525 CA MET A 64 -1.047 -4.880 -4.645 1.00 0.00 C ATOM 526 C MET A 64 -2.545 -4.702 -4.896 1.00 0.00 C ATOM 527 O MET A 64 -3.281 -4.368 -3.974 1.00 0.00 O ATOM 528 CB MET A 64 -0.244 -3.671 -5.153 1.00 0.00 C ATOM 529 CG MET A 64 -0.517 -2.401 -4.336 1.00 0.00 C ATOM 530 SD MET A 64 0.053 -2.412 -2.613 1.00 0.00 S ATOM 531 CE MET A 64 1.852 -2.398 -2.832 1.00 0.00 C ATOM 0 H MET A 64 0.208 -5.965 -5.911 1.00 0.00 H new ATOM 0 HA MET A 64 -0.893 -4.951 -3.568 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.820 -3.903 -5.114 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.492 -3.487 -6.198 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.048 -1.559 -4.846 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.591 -2.217 -4.339 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.338 -2.475 -1.859 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.149 -3.242 -3.454 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.153 -1.468 -3.315 1.00 0.00 H new ATOM 532 N SER A 65 -3.009 -4.921 -6.130 1.00 0.00 N ATOM 533 CA SER A 65 -4.422 -4.807 -6.465 1.00 0.00 C ATOM 534 C SER A 65 -5.263 -5.714 -5.565 1.00 0.00 C ATOM 535 O SER A 65 -6.230 -5.259 -4.949 1.00 0.00 O ATOM 536 CB SER A 65 -4.647 -5.111 -7.954 1.00 0.00 C ATOM 537 OG SER A 65 -5.943 -4.718 -8.377 1.00 0.00 O ATOM 0 H SER A 65 -2.415 -5.181 -6.918 1.00 0.00 H new ATOM 0 HA SER A 65 -4.745 -3.781 -6.287 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.896 -4.592 -8.550 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.513 -6.178 -8.132 1.00 0.00 H new ATOM 0 HG SER A 65 -6.406 -5.487 -8.771 1.00 0.00 H new ATOM 538 N GLU A 66 -4.896 -6.995 -5.487 1.00 0.00 N ATOM 539 CA GLU A 66 -5.623 -7.982 -4.701 1.00 0.00 C ATOM 540 C GLU A 66 -5.627 -7.550 -3.225 1.00 0.00 C ATOM 541 O GLU A 66 -6.682 -7.355 -2.619 1.00 0.00 O ATOM 542 CB GLU A 66 -4.977 -9.357 -4.938 1.00 0.00 C ATOM 543 CG GLU A 66 -5.981 -10.504 -5.134 1.00 0.00 C ATOM 544 CD GLU A 66 -6.834 -10.826 -3.913 1.00 0.00 C ATOM 545 OE1 GLU A 66 -7.769 -10.047 -3.642 1.00 0.00 O ATOM 546 OE2 GLU A 66 -6.557 -11.861 -3.274 1.00 0.00 O ATOM 0 H GLU A 66 -4.082 -7.374 -5.971 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.668 -8.055 -5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.336 -9.297 -5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.334 -9.594 -4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.641 -10.252 -5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.434 -11.401 -5.423 1.00 0.00 H new ATOM 547 N TYR A 67 -4.433 -7.307 -2.671 1.00 0.00 N ATOM 548 CA TYR A 67 -4.267 -6.773 -1.322 1.00 0.00 C ATOM 549 C TYR A 67 -5.223 -5.607 -1.074 1.00 0.00 C ATOM 550 O TYR A 67 -6.056 -5.665 -0.175 1.00 0.00 O ATOM 551 CB TYR A 67 -2.812 -6.345 -1.086 1.00 0.00 C ATOM 552 CG TYR A 67 -2.572 -5.717 0.276 1.00 0.00 C ATOM 553 CD1 TYR A 67 -2.496 -6.535 1.416 1.00 0.00 C ATOM 554 CD2 TYR A 67 -2.531 -4.317 0.428 1.00 0.00 C ATOM 555 CE1 TYR A 67 -2.426 -5.970 2.698 1.00 0.00 C ATOM 556 CE2 TYR A 67 -2.481 -3.749 1.715 1.00 0.00 C ATOM 557 CZ TYR A 67 -2.438 -4.577 2.852 1.00 0.00 C ATOM 558 OH TYR A 67 -2.647 -4.062 4.096 1.00 0.00 O ATOM 0 H TYR A 67 -3.551 -7.478 -3.153 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.511 -7.563 -0.612 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.165 -7.215 -1.194 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.522 -5.634 -1.860 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.491 -7.609 1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.538 -3.679 -0.443 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.363 -6.609 3.567 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.476 -2.675 1.830 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.225 -3.273 4.031 1.00 0.00 H new ATOM 559 N LEU A 68 -5.130 -4.559 -1.888 1.00 0.00 N ATOM 560 CA LEU A 68 -5.958 -3.371 -1.764 1.00 0.00 C ATOM 561 C LEU A 68 -7.448 -3.680 -1.841 1.00 0.00 C ATOM 562 O LEU A 68 -8.240 -3.032 -1.161 1.00 0.00 O ATOM 563 CB LEU A 68 -5.579 -2.362 -2.838 1.00 0.00 C ATOM 564 CG LEU A 68 -4.253 -1.634 -2.570 1.00 0.00 C ATOM 565 CD1 LEU A 68 -3.979 -0.674 -3.730 1.00 0.00 C ATOM 566 CD2 LEU A 68 -4.254 -0.847 -1.256 1.00 0.00 C ATOM 0 H LEU A 68 -4.467 -4.514 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.771 -2.952 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.513 -2.875 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.376 -1.624 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.475 -2.392 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.040 -0.149 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.911 -1.238 -4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.791 0.050 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.290 -0.356 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.043 -0.096 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.430 -1.529 -0.424 1.00 0.00 H new ATOM 567 N THR A 69 -7.844 -4.643 -2.670 1.00 0.00 N ATOM 568 CA THR A 69 -9.217 -5.135 -2.681 1.00 0.00 C ATOM 569 C THR A 69 -9.653 -5.633 -1.295 1.00 0.00 C ATOM 570 O THR A 69 -10.823 -5.483 -0.948 1.00 0.00 O ATOM 571 CB THR A 69 -9.422 -6.221 -3.755 1.00 0.00 C ATOM 572 OG1 THR A 69 -8.915 -5.771 -4.990 1.00 0.00 O ATOM 573 CG2 THR A 69 -10.905 -6.539 -3.965 1.00 0.00 C ATOM 0 H THR A 69 -7.230 -5.099 -3.345 1.00 0.00 H new ATOM 0 HA THR A 69 -9.857 -4.292 -2.941 1.00 0.00 H new ATOM 0 HB THR A 69 -8.902 -7.114 -3.408 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.936 -5.757 -4.956 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.007 -7.309 -4.730 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.336 -6.897 -3.030 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.429 -5.638 -4.285 1.00 0.00 H new ATOM 574 N ASN A 70 -8.752 -6.242 -0.509 1.00 0.00 N ATOM 575 CA ASN A 70 -9.116 -6.917 0.740 1.00 0.00 C ATOM 576 C ASN A 70 -7.911 -7.216 1.651 1.00 0.00 C ATOM 577 O ASN A 70 -7.526 -8.376 1.834 1.00 0.00 O ATOM 578 CB ASN A 70 -9.957 -8.180 0.467 1.00 0.00 C ATOM 579 CG ASN A 70 -9.284 -9.317 -0.313 1.00 0.00 C ATOM 580 OD1 ASN A 70 -9.552 -10.479 -0.026 1.00 0.00 O ATOM 581 ND2 ASN A 70 -8.483 -9.026 -1.332 1.00 0.00 N ATOM 0 H ASN A 70 -7.755 -6.279 -0.723 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.734 -6.213 1.297 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.289 -8.579 1.426 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.851 -7.879 -0.079 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.078 -9.776 -1.893 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.273 -8.053 -1.554 1.00 0.00 H new ATOM 582 N PRO A 71 -7.349 -6.183 2.296 1.00 0.00 N ATOM 583 CA PRO A 71 -6.060 -6.272 2.966 1.00 0.00 C ATOM 584 C PRO A 71 -6.128 -7.227 4.154 1.00 0.00 C ATOM 585 O PRO A 71 -5.287 -8.110 4.311 1.00 0.00 O ATOM 586 CB PRO A 71 -5.715 -4.840 3.392 1.00 0.00 C ATOM 587 CG PRO A 71 -7.038 -4.079 3.375 1.00 0.00 C ATOM 588 CD PRO A 71 -7.897 -4.836 2.364 1.00 0.00 C ATOM 0 HA PRO A 71 -5.287 -6.677 2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.266 -4.824 4.385 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.995 -4.390 2.709 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.502 -4.067 4.361 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.895 -3.040 3.077 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.941 -4.855 2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.866 -4.353 1.387 1.00 0.00 H new HETATM 589 N M3L A 72 -7.166 -7.052 4.972 1.00 0.00 N HETATM 590 CA M3L A 72 -7.409 -7.801 6.200 1.00 0.00 C HETATM 591 CB M3L A 72 -8.720 -7.326 6.846 1.00 0.00 C HETATM 592 CG M3L A 72 -8.705 -7.517 8.371 1.00 0.00 C HETATM 593 CD M3L A 72 -8.345 -6.221 9.124 1.00 0.00 C HETATM 594 CE M3L A 72 -9.402 -5.093 9.049 1.00 0.00 C HETATM 595 NZ M3L A 72 -10.461 -5.101 10.103 1.00 0.00 N HETATM 596 C M3L A 72 -7.410 -9.323 6.002 1.00 0.00 C HETATM 597 O M3L A 72 -7.184 -10.062 6.957 1.00 0.00 O HETATM 598 CM1 M3L A 72 -11.121 -6.421 10.222 1.00 0.00 C HETATM 599 CM2 M3L A 72 -9.906 -4.701 11.421 1.00 0.00 C HETATM 600 CM3 M3L A 72 -11.505 -4.115 9.720 1.00 0.00 C HETATM 0 HM33 M3L A 72 -11.059 -3.123 9.645 1.00 0.00 H new HETATM 0 HM32 M3L A 72 -11.933 -4.394 8.757 1.00 0.00 H new HETATM 0 HM31 M3L A 72 -12.290 -4.104 10.476 1.00 0.00 H new HETATM 0 HM23 M3L A 72 -9.120 -5.398 11.711 1.00 0.00 H new HETATM 0 HM22 M3L A 72 -9.491 -3.695 11.351 1.00 0.00 H new HETATM 0 HM21 M3L A 72 -10.699 -4.716 12.169 1.00 0.00 H new HETATM 0 HM13 M3L A 72 -11.587 -6.682 9.272 1.00 0.00 H new HETATM 0 HM12 M3L A 72 -10.379 -7.176 10.482 1.00 0.00 H new HETATM 0 HM11 M3L A 72 -11.883 -6.378 11.000 1.00 0.00 H new HETATM 0 HG3 M3L A 72 -9.684 -7.865 8.700 1.00 0.00 H new HETATM 0 HG2 M3L A 72 -7.987 -8.295 8.630 1.00 0.00 H new HETATM 0 HE3 M3L A 72 -8.883 -4.136 9.094 1.00 0.00 H new HETATM 0 HE2 M3L A 72 -9.889 -5.146 8.075 1.00 0.00 H new HETATM 0 HD3 M3L A 72 -8.174 -6.466 10.172 1.00 0.00 H new HETATM 0 HD2 M3L A 72 -7.404 -5.840 8.728 1.00 0.00 H new HETATM 0 HB3 M3L A 72 -8.880 -6.273 6.613 1.00 0.00 H new HETATM 0 HB2 M3L A 72 -9.557 -7.878 6.418 1.00 0.00 H new HETATM 0 HA M3L A 72 -6.574 -7.595 6.869 1.00 0.00 H new HETATM 0 H M3L A 72 -7.829 -6.338 4.671 1.00 0.00 H new ATOM 601 N LYS A 73 -7.707 -9.792 4.787 1.00 0.00 N ATOM 602 CA LYS A 73 -7.698 -11.201 4.446 1.00 0.00 C ATOM 603 C LYS A 73 -6.341 -11.521 3.838 1.00 0.00 C ATOM 604 O LYS A 73 -5.693 -12.487 4.234 1.00 0.00 O ATOM 605 CB LYS A 73 -8.812 -11.489 3.434 1.00 0.00 C ATOM 606 CG LYS A 73 -8.971 -13.006 3.211 1.00 0.00 C ATOM 607 CD LYS A 73 -9.208 -13.347 1.731 1.00 0.00 C ATOM 608 CE LYS A 73 -10.598 -12.938 1.226 1.00 0.00 C ATOM 609 NZ LYS A 73 -11.657 -13.858 1.687 1.00 0.00 N ATOM 0 H LYS A 73 -7.963 -9.187 4.007 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.868 -11.816 5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.752 -11.069 3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.584 -11.000 2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.077 -13.520 3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.806 -13.375 3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.449 -12.851 1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.079 -14.420 1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.823 -11.928 1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.592 -12.911 0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.577 -13.540 1.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.459 -14.818 1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.682 -13.865 2.727 1.00 0.00 H new ATOM 610 N TYR A 74 -5.944 -10.719 2.848 1.00 0.00 N ATOM 611 CA TYR A 74 -4.737 -10.956 2.075 1.00 0.00 C ATOM 612 C TYR A 74 -3.515 -11.078 2.986 1.00 0.00 C ATOM 613 O TYR A 74 -2.632 -11.898 2.739 1.00 0.00 O ATOM 614 CB TYR A 74 -4.573 -9.835 1.050 1.00 0.00 C ATOM 615 CG TYR A 74 -3.685 -10.219 -0.112 1.00 0.00 C ATOM 616 CD1 TYR A 74 -2.285 -10.088 -0.036 1.00 0.00 C ATOM 617 CD2 TYR A 74 -4.269 -10.832 -1.233 1.00 0.00 C ATOM 618 CE1 TYR A 74 -1.483 -10.499 -1.114 1.00 0.00 C ATOM 619 CE2 TYR A 74 -3.460 -11.305 -2.276 1.00 0.00 C ATOM 620 CZ TYR A 74 -2.075 -11.100 -2.240 1.00 0.00 C ATOM 621 OH TYR A 74 -1.312 -11.559 -3.270 1.00 0.00 O ATOM 0 H TYR A 74 -6.457 -9.885 2.564 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.825 -11.904 1.545 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.555 -9.551 0.671 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.156 -8.957 1.544 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.828 -9.672 0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.342 -10.939 -1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.413 -10.354 -1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.906 -11.828 -3.109 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.892 -11.944 -3.960 1.00 0.00 H new ATOM 622 N ILE A 75 -3.487 -10.278 4.057 1.00 0.00 N ATOM 623 CA ILE A 75 -2.553 -10.468 5.161 1.00 0.00 C ATOM 624 C ILE A 75 -3.400 -10.743 6.406 1.00 0.00 C ATOM 625 O ILE A 75 -3.955 -9.801 6.969 1.00 0.00 O ATOM 626 CB ILE A 75 -1.616 -9.250 5.312 1.00 0.00 C ATOM 627 CG1 ILE A 75 -0.814 -9.076 4.008 1.00 0.00 C ATOM 628 CG2 ILE A 75 -0.665 -9.455 6.505 1.00 0.00 C ATOM 629 CD1 ILE A 75 0.282 -8.010 4.073 1.00 0.00 C ATOM 0 H ILE A 75 -4.113 -9.482 4.179 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.884 -11.311 4.985 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.206 -8.353 5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.359 -10.031 3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.504 -8.821 3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.010 -8.589 6.601 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.248 -9.572 7.419 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.064 -10.349 6.341 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.794 -7.956 3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.165 -7.042 4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.998 -8.271 4.852 1.00 0.00 H new ATOM 630 N PRO A 76 -3.535 -12.006 6.851 1.00 0.00 N ATOM 631 CA PRO A 76 -4.392 -12.361 7.974 1.00 0.00 C ATOM 632 C PRO A 76 -3.710 -11.974 9.292 1.00 0.00 C ATOM 633 O PRO A 76 -3.280 -12.829 10.064 1.00 0.00 O ATOM 634 CB PRO A 76 -4.624 -13.869 7.831 1.00 0.00 C ATOM 635 CG PRO A 76 -3.323 -14.355 7.196 1.00 0.00 C ATOM 636 CD PRO A 76 -2.941 -13.200 6.269 1.00 0.00 C ATOM 0 HA PRO A 76 -5.346 -11.833 7.979 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.805 -14.343 8.796 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.487 -14.087 7.202 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.554 -14.543 7.945 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.465 -15.285 6.645 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.858 -13.101 6.195 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.315 -13.370 5.259 1.00 0.00 H new ATOM 637 N GLY A 77 -3.599 -10.668 9.534 1.00 0.00 N ATOM 638 CA GLY A 77 -2.887 -10.098 10.663 1.00 0.00 C ATOM 639 C GLY A 77 -2.302 -8.759 10.234 1.00 0.00 C ATOM 640 O GLY A 77 -1.090 -8.625 10.078 1.00 0.00 O ATOM 0 H GLY A 77 -4.017 -9.962 8.928 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.562 -9.964 11.509 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.095 -10.771 10.991 1.00 0.00 H new ATOM 641 N THR A 78 -3.178 -7.777 10.024 1.00 0.00 N ATOM 642 CA THR A 78 -2.816 -6.418 9.658 1.00 0.00 C ATOM 643 C THR A 78 -3.659 -5.467 10.498 1.00 0.00 C ATOM 644 O THR A 78 -4.854 -5.697 10.689 1.00 0.00 O ATOM 645 CB THR A 78 -3.006 -6.181 8.148 1.00 0.00 C ATOM 646 OG1 THR A 78 -2.899 -4.807 7.848 1.00 0.00 O ATOM 647 CG2 THR A 78 -4.375 -6.612 7.631 1.00 0.00 C ATOM 0 H THR A 78 -4.185 -7.914 10.107 1.00 0.00 H new ATOM 0 HA THR A 78 -1.760 -6.239 9.860 1.00 0.00 H new ATOM 0 HB THR A 78 -2.229 -6.779 7.671 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.020 -4.672 6.885 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.438 -6.416 6.561 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.514 -7.678 7.813 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.153 -6.051 8.149 1.00 0.00 H new ATOM 648 N LYS A 79 -3.038 -4.393 10.988 1.00 0.00 N ATOM 649 CA LYS A 79 -3.728 -3.312 11.673 1.00 0.00 C ATOM 650 C LYS A 79 -4.557 -2.459 10.695 1.00 0.00 C ATOM 651 O LYS A 79 -5.295 -1.574 11.130 1.00 0.00 O ATOM 652 CB LYS A 79 -2.677 -2.502 12.450 1.00 0.00 C ATOM 653 CG LYS A 79 -3.263 -1.260 13.130 1.00 0.00 C ATOM 654 CD LYS A 79 -2.291 -0.711 14.183 1.00 0.00 C ATOM 655 CE LYS A 79 -2.679 0.697 14.657 1.00 0.00 C ATOM 656 NZ LYS A 79 -4.058 0.761 15.186 1.00 0.00 N ATOM 0 H LYS A 79 -2.030 -4.253 10.917 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.457 -3.709 12.380 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.219 -3.141 13.205 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.884 -2.196 11.767 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.470 -0.493 12.383 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.214 -1.511 13.601 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.267 -1.386 15.039 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.284 -0.687 13.767 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.982 1.020 15.430 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.580 1.396 13.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.234 1.706 15.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.734 0.579 14.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.178 0.044 15.930 1.00 0.00 H new ATOM 657 N ALA A 80 -4.437 -2.688 9.383 1.00 0.00 N ATOM 658 CA ALA A 80 -5.094 -1.893 8.354 1.00 0.00 C ATOM 659 C ALA A 80 -6.625 -1.962 8.415 1.00 0.00 C ATOM 660 O ALA A 80 -7.268 -2.666 7.636 1.00 0.00 O ATOM 661 CB ALA A 80 -4.589 -2.322 6.980 1.00 0.00 C ATOM 0 H ALA A 80 -3.869 -3.446 9.005 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.835 -0.850 8.539 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.080 -1.727 6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.511 -2.169 6.924 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.814 -3.377 6.823 1.00 0.00 H new ATOM 662 N ALA A 81 -7.231 -1.171 9.303 1.00 0.00 N ATOM 663 CA ALA A 81 -8.665 -0.918 9.335 1.00 0.00 C ATOM 664 C ALA A 81 -9.078 -0.035 8.150 1.00 0.00 C ATOM 665 O ALA A 81 -9.532 1.090 8.342 1.00 0.00 O ATOM 666 CB ALA A 81 -9.035 -0.290 10.684 1.00 0.00 C ATOM 0 H ALA A 81 -6.721 -0.678 10.036 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.213 -1.855 9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.108 -0.098 10.714 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.766 -0.973 11.489 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.495 0.649 10.809 1.00 0.00 H new ATOM 667 N PHE A 82 -8.905 -0.547 6.928 1.00 0.00 N ATOM 668 CA PHE A 82 -9.134 0.174 5.683 1.00 0.00 C ATOM 669 C PHE A 82 -10.191 -0.549 4.836 1.00 0.00 C ATOM 670 O PHE A 82 -10.126 -1.762 4.643 1.00 0.00 O ATOM 671 CB PHE A 82 -7.799 0.324 4.937 1.00 0.00 C ATOM 672 CG PHE A 82 -7.929 0.822 3.511 1.00 0.00 C ATOM 673 CD1 PHE A 82 -8.743 1.934 3.218 1.00 0.00 C ATOM 674 CD2 PHE A 82 -7.428 0.035 2.458 1.00 0.00 C ATOM 675 CE1 PHE A 82 -9.198 2.140 1.906 1.00 0.00 C ATOM 676 CE2 PHE A 82 -7.885 0.237 1.147 1.00 0.00 C ATOM 677 CZ PHE A 82 -8.815 1.253 0.885 1.00 0.00 C ATOM 0 H PHE A 82 -8.591 -1.506 6.779 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.522 1.171 5.893 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.162 1.013 5.492 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.292 -0.641 4.927 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.016 2.626 4.001 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.689 -0.727 2.659 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.841 2.978 1.682 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.522 -0.387 0.344 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.238 1.354 -0.104 1.00 0.00 H new ATOM 678 N GLY A 83 -11.175 0.208 4.340 1.00 0.00 N ATOM 679 CA GLY A 83 -12.232 -0.288 3.474 1.00 0.00 C ATOM 680 C GLY A 83 -11.699 -0.545 2.065 1.00 0.00 C ATOM 681 O GLY A 83 -11.733 0.353 1.227 1.00 0.00 O ATOM 0 H GLY A 83 -11.254 1.205 4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.644 -1.209 3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.046 0.436 3.434 1.00 0.00 H new ATOM 682 N GLY A 84 -11.224 -1.774 1.836 1.00 0.00 N ATOM 683 CA GLY A 84 -10.690 -2.298 0.582 1.00 0.00 C ATOM 684 C GLY A 84 -11.215 -1.623 -0.698 1.00 0.00 C ATOM 685 O GLY A 84 -12.426 -1.466 -0.874 1.00 0.00 O ATOM 0 H GLY A 84 -11.203 -2.475 2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.604 -2.203 0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.916 -3.363 0.529 1.00 0.00 H new ATOM 686 N LEU A 85 -10.314 -1.254 -1.620 1.00 0.00 N ATOM 687 CA LEU A 85 -10.647 -0.553 -2.862 1.00 0.00 C ATOM 688 C LEU A 85 -11.415 -1.465 -3.831 1.00 0.00 C ATOM 689 O LEU A 85 -10.868 -1.964 -4.817 1.00 0.00 O ATOM 690 CB LEU A 85 -9.391 0.046 -3.531 1.00 0.00 C ATOM 691 CG LEU A 85 -9.028 1.482 -3.119 1.00 0.00 C ATOM 692 CD1 LEU A 85 -7.782 1.947 -3.878 1.00 0.00 C ATOM 693 CD2 LEU A 85 -10.153 2.492 -3.393 1.00 0.00 C ATOM 0 H LEU A 85 -9.316 -1.439 -1.519 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.303 0.277 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.542 -0.600 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.534 0.024 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.852 1.451 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.533 2.965 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.947 1.286 -3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.978 1.921 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.834 3.486 -3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.381 2.503 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.044 2.205 -2.835 1.00 0.00 H new ATOM 694 N LYS A 86 -12.713 -1.630 -3.572 1.00 0.00 N ATOM 695 CA LYS A 86 -13.651 -2.368 -4.406 1.00 0.00 C ATOM 696 C LYS A 86 -13.657 -1.857 -5.848 1.00 0.00 C ATOM 697 O LYS A 86 -13.594 -2.663 -6.771 1.00 0.00 O ATOM 698 CB LYS A 86 -15.061 -2.277 -3.795 1.00 0.00 C ATOM 699 CG LYS A 86 -15.393 -3.502 -2.933 1.00 0.00 C ATOM 700 CD LYS A 86 -15.847 -4.664 -3.835 1.00 0.00 C ATOM 701 CE LYS A 86 -15.972 -5.999 -3.090 1.00 0.00 C ATOM 702 NZ LYS A 86 -16.966 -5.955 -1.998 1.00 0.00 N ATOM 0 H LYS A 86 -13.153 -1.235 -2.741 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.332 -3.410 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.136 -1.375 -3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.797 -2.185 -4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.519 -3.799 -2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.179 -3.254 -2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.810 -4.414 -4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.136 -4.778 -4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.251 -6.780 -3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.000 -6.273 -2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.009 -6.883 -1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.689 -5.230 -1.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.901 -5.721 -2.389 1.00 0.00 H new ATOM 703 N LYS A 87 -13.759 -0.534 -6.026 1.00 0.00 N ATOM 704 CA LYS A 87 -14.066 0.110 -7.300 1.00 0.00 C ATOM 705 C LYS A 87 -13.245 -0.415 -8.485 1.00 0.00 C ATOM 706 O LYS A 87 -13.767 -0.502 -9.593 1.00 0.00 O ATOM 707 CB LYS A 87 -13.911 1.626 -7.164 1.00 0.00 C ATOM 708 CG LYS A 87 -15.043 2.270 -6.346 1.00 0.00 C ATOM 709 CD LYS A 87 -14.992 3.805 -6.429 1.00 0.00 C ATOM 710 CE LYS A 87 -15.531 4.341 -7.768 1.00 0.00 C ATOM 711 NZ LYS A 87 -15.268 5.786 -7.928 1.00 0.00 N ATOM 0 H LYS A 87 -13.626 0.132 -5.265 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.101 -0.144 -7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.955 1.848 -6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.886 2.075 -8.157 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.006 1.916 -6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.965 1.958 -5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.574 4.229 -5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.963 4.139 -6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.069 3.795 -8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.604 4.158 -7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.705 6.123 -8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.672 6.304 -7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.242 5.950 -7.966 1.00 0.00 H new ATOM 712 N GLU A 88 -11.955 -0.691 -8.270 1.00 0.00 N ATOM 713 CA GLU A 88 -11.025 -1.357 -9.180 1.00 0.00 C ATOM 714 C GLU A 88 -10.505 -0.381 -10.231 1.00 0.00 C ATOM 715 O GLU A 88 -9.306 -0.267 -10.445 1.00 0.00 O ATOM 716 CB GLU A 88 -11.633 -2.638 -9.774 1.00 0.00 C ATOM 717 CG GLU A 88 -10.648 -3.421 -10.660 1.00 0.00 C ATOM 718 CD GLU A 88 -11.116 -3.420 -12.107 1.00 0.00 C ATOM 719 OE1 GLU A 88 -12.215 -3.961 -12.356 1.00 0.00 O ATOM 720 OE2 GLU A 88 -10.471 -2.783 -12.974 1.00 0.00 O ATOM 0 H GLU A 88 -11.503 -0.435 -7.392 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.156 -1.687 -8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.973 -3.282 -8.963 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.512 -2.376 -10.363 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.656 -2.975 -10.592 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.562 -4.446 -10.300 1.00 0.00 H new ATOM 721 N LYS A 89 -11.409 0.376 -10.838 1.00 0.00 N ATOM 722 CA LYS A 89 -11.069 1.346 -11.873 1.00 0.00 C ATOM 723 C LYS A 89 -10.149 2.412 -11.281 1.00 0.00 C ATOM 724 O LYS A 89 -9.005 2.566 -11.706 1.00 0.00 O ATOM 725 CB LYS A 89 -12.340 1.892 -12.522 1.00 0.00 C ATOM 726 CG LYS A 89 -12.845 1.018 -13.688 1.00 0.00 C ATOM 727 CD LYS A 89 -12.899 -0.487 -13.369 1.00 0.00 C ATOM 728 CE LYS A 89 -13.212 -1.334 -14.612 1.00 0.00 C ATOM 729 NZ LYS A 89 -12.633 -2.689 -14.497 1.00 0.00 N ATOM 0 H LYS A 89 -12.406 0.335 -10.625 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.512 0.876 -12.683 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.123 1.968 -11.767 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.150 2.901 -12.888 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.842 1.354 -13.974 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.197 1.172 -14.551 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.944 -0.802 -12.948 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.658 -0.668 -12.608 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.292 -1.407 -14.743 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.816 -0.841 -15.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.817 -3.221 -15.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.607 -2.616 -14.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.067 -3.185 -13.693 1.00 0.00 H new ATOM 730 N ASP A 90 -10.634 3.082 -10.237 1.00 0.00 N ATOM 731 CA ASP A 90 -9.846 4.010 -9.444 1.00 0.00 C ATOM 732 C ASP A 90 -8.554 3.354 -8.954 1.00 0.00 C ATOM 733 O ASP A 90 -7.481 3.950 -9.021 1.00 0.00 O ATOM 734 CB ASP A 90 -10.688 4.473 -8.251 1.00 0.00 C ATOM 735 CG ASP A 90 -11.707 5.563 -8.568 1.00 0.00 C ATOM 736 OD1 ASP A 90 -11.561 6.256 -9.597 1.00 0.00 O ATOM 737 OD2 ASP A 90 -12.656 5.697 -7.767 1.00 0.00 O ATOM 0 H ASP A 90 -11.599 2.991 -9.918 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.570 4.864 -10.062 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.215 3.612 -7.841 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.018 4.838 -7.472 1.00 0.00 H new ATOM 738 N ARG A 91 -8.670 2.125 -8.447 1.00 0.00 N ATOM 739 CA ARG A 91 -7.529 1.330 -8.012 1.00 0.00 C ATOM 740 C ARG A 91 -6.468 1.258 -9.108 1.00 0.00 C ATOM 741 O ARG A 91 -5.305 1.486 -8.821 1.00 0.00 O ATOM 742 CB ARG A 91 -7.962 -0.069 -7.565 1.00 0.00 C ATOM 743 CG ARG A 91 -7.026 -0.702 -6.533 1.00 0.00 C ATOM 744 CD ARG A 91 -7.215 -2.222 -6.526 1.00 0.00 C ATOM 745 NE ARG A 91 -8.616 -2.624 -6.317 1.00 0.00 N ATOM 746 CZ ARG A 91 -9.221 -3.679 -6.890 1.00 0.00 C ATOM 747 NH1 ARG A 91 -8.547 -4.531 -7.669 1.00 0.00 N ATOM 748 NH2 ARG A 91 -10.526 -3.855 -6.670 1.00 0.00 N ATOM 0 H ARG A 91 -9.567 1.654 -8.328 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.086 1.825 -7.148 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.966 -0.012 -7.145 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.018 -0.719 -8.438 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.991 -0.456 -6.768 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.233 -0.296 -5.543 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.862 -2.631 -7.473 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.597 -2.656 -5.741 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.175 -2.053 -5.683 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.552 -4.388 -7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.028 -5.324 -8.093 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -11.037 -3.198 -6.080 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.012 -4.647 -7.091 1.00 0.00 H new ATOM 749 N ASN A 92 -6.835 0.954 -10.354 1.00 0.00 N ATOM 750 CA ASN A 92 -5.868 0.822 -11.442 1.00 0.00 C ATOM 751 C ASN A 92 -5.035 2.104 -11.568 1.00 0.00 C ATOM 752 O ASN A 92 -3.802 2.048 -11.613 1.00 0.00 O ATOM 753 CB ASN A 92 -6.564 0.453 -12.763 1.00 0.00 C ATOM 754 CG ASN A 92 -7.321 -0.879 -12.687 1.00 0.00 C ATOM 755 OD1 ASN A 92 -6.842 -1.842 -12.094 1.00 0.00 O ATOM 756 ND2 ASN A 92 -8.510 -0.938 -13.287 1.00 0.00 N ATOM 0 H ASN A 92 -7.802 0.794 -10.635 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.187 0.004 -11.208 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -7.261 1.246 -13.035 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.819 0.397 -13.557 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.051 -1.802 -13.262 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.878 -0.119 -13.771 1.00 0.00 H new ATOM 757 N ASP A 93 -5.702 3.265 -11.575 1.00 0.00 N ATOM 758 CA ASP A 93 -5.008 4.550 -11.588 1.00 0.00 C ATOM 759 C ASP A 93 -4.116 4.692 -10.354 1.00 0.00 C ATOM 760 O ASP A 93 -2.926 4.982 -10.472 1.00 0.00 O ATOM 761 CB ASP A 93 -5.994 5.713 -11.672 1.00 0.00 C ATOM 762 CG ASP A 93 -6.544 5.950 -13.072 1.00 0.00 C ATOM 763 OD1 ASP A 93 -5.725 6.243 -13.969 1.00 0.00 O ATOM 764 OD2 ASP A 93 -7.781 5.888 -13.221 1.00 0.00 O ATOM 0 H ASP A 93 -6.719 3.336 -11.572 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.379 4.580 -12.478 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.825 5.523 -10.992 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.501 6.622 -11.326 1.00 0.00 H new ATOM 765 N LEU A 94 -4.690 4.504 -9.164 1.00 0.00 N ATOM 766 CA LEU A 94 -3.973 4.584 -7.897 1.00 0.00 C ATOM 767 C LEU A 94 -2.699 3.733 -7.911 1.00 0.00 C ATOM 768 O LEU A 94 -1.622 4.237 -7.607 1.00 0.00 O ATOM 769 CB LEU A 94 -4.913 4.215 -6.743 1.00 0.00 C ATOM 770 CG LEU A 94 -4.204 4.097 -5.388 1.00 0.00 C ATOM 771 CD1 LEU A 94 -3.404 5.347 -5.012 1.00 0.00 C ATOM 772 CD2 LEU A 94 -5.195 3.836 -4.280 1.00 0.00 C ATOM 0 H LEU A 94 -5.681 4.289 -9.056 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.643 5.612 -7.745 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.697 4.968 -6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.401 3.268 -6.972 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.513 3.262 -5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.928 5.197 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.640 5.531 -5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.074 6.205 -4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.666 3.757 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.910 4.658 -4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.726 2.905 -4.479 1.00 0.00 H new ATOM 773 N ILE A 95 -2.798 2.453 -8.264 1.00 0.00 N ATOM 774 CA ILE A 95 -1.666 1.544 -8.336 1.00 0.00 C ATOM 775 C ILE A 95 -0.621 2.119 -9.286 1.00 0.00 C ATOM 776 O ILE A 95 0.543 2.217 -8.908 1.00 0.00 O ATOM 777 CB ILE A 95 -2.118 0.138 -8.763 1.00 0.00 C ATOM 778 CG1 ILE A 95 -3.132 -0.485 -7.777 1.00 0.00 C ATOM 779 CG2 ILE A 95 -0.867 -0.754 -8.849 1.00 0.00 C ATOM 780 CD1 ILE A 95 -3.954 -1.571 -8.471 1.00 0.00 C ATOM 0 H ILE A 95 -3.685 2.015 -8.512 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.216 1.442 -7.348 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.623 0.214 -9.726 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.604 -0.910 -6.923 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.794 0.289 -7.389 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.158 -1.760 -9.151 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.175 -0.341 -9.583 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.381 -0.794 -7.874 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.663 -1.999 -7.762 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.497 -1.136 -9.310 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.289 -2.353 -8.836 1.00 0.00 H new ATOM 781 N THR A 96 -1.028 2.528 -10.492 1.00 0.00 N ATOM 782 CA THR A 96 -0.107 3.135 -11.447 1.00 0.00 C ATOM 783 C THR A 96 0.633 4.312 -10.804 1.00 0.00 C ATOM 784 O THR A 96 1.862 4.403 -10.861 1.00 0.00 O ATOM 785 CB THR A 96 -0.871 3.596 -12.698 1.00 0.00 C ATOM 786 OG1 THR A 96 -1.608 2.522 -13.242 1.00 0.00 O ATOM 787 CG2 THR A 96 0.095 4.133 -13.756 1.00 0.00 C ATOM 0 H THR A 96 -1.989 2.448 -10.826 1.00 0.00 H new ATOM 0 HA THR A 96 0.630 2.389 -11.744 1.00 0.00 H new ATOM 0 HB THR A 96 -1.553 4.394 -12.403 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.429 2.392 -12.722 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.467 4.454 -14.633 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.646 4.980 -13.349 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.795 3.348 -14.041 1.00 0.00 H new ATOM 788 N TYR A 97 -0.126 5.226 -10.192 1.00 0.00 N ATOM 789 CA TYR A 97 0.443 6.376 -9.519 1.00 0.00 C ATOM 790 C TYR A 97 1.458 5.915 -8.477 1.00 0.00 C ATOM 791 O TYR A 97 2.576 6.416 -8.457 1.00 0.00 O ATOM 792 CB TYR A 97 -0.655 7.226 -8.867 1.00 0.00 C ATOM 793 CG TYR A 97 -0.140 8.227 -7.852 1.00 0.00 C ATOM 794 CD1 TYR A 97 0.540 9.380 -8.284 1.00 0.00 C ATOM 795 CD2 TYR A 97 -0.200 7.928 -6.477 1.00 0.00 C ATOM 796 CE1 TYR A 97 1.117 10.250 -7.344 1.00 0.00 C ATOM 797 CE2 TYR A 97 0.398 8.787 -5.540 1.00 0.00 C ATOM 798 CZ TYR A 97 1.050 9.954 -5.973 1.00 0.00 C ATOM 799 OH TYR A 97 1.567 10.828 -5.066 1.00 0.00 O ATOM 0 H TYR A 97 -1.144 5.182 -10.154 1.00 0.00 H new ATOM 0 HA TYR A 97 0.951 6.997 -10.257 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.197 7.761 -9.647 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.370 6.564 -8.379 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.619 9.597 -9.339 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.707 7.035 -6.142 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.614 11.149 -7.677 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.357 8.550 -4.487 1.00 0.00 H new ATOM 0 HH TYR A 97 1.438 10.475 -4.161 1.00 0.00 H new ATOM 800 N LEU A 98 1.069 4.978 -7.609 1.00 0.00 N ATOM 801 CA LEU A 98 1.910 4.485 -6.528 1.00 0.00 C ATOM 802 C LEU A 98 3.210 3.922 -7.090 1.00 0.00 C ATOM 803 O LEU A 98 4.301 4.243 -6.622 1.00 0.00 O ATOM 804 CB LEU A 98 1.162 3.406 -5.722 1.00 0.00 C ATOM 805 CG LEU A 98 1.174 3.686 -4.207 1.00 0.00 C ATOM 806 CD1 LEU A 98 -0.256 3.851 -3.708 1.00 0.00 C ATOM 807 CD2 LEU A 98 1.808 2.551 -3.409 1.00 0.00 C ATOM 0 H LEU A 98 0.149 4.538 -7.642 1.00 0.00 H new ATOM 0 HA LEU A 98 2.148 5.314 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.130 3.348 -6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.618 2.434 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 98 1.762 4.592 -4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.247 4.049 -2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.729 4.685 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.817 2.937 -3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.791 2.799 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.247 1.631 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.839 2.411 -3.732 1.00 0.00 H new ATOM 808 N LYS A 99 3.075 3.077 -8.110 1.00 0.00 N ATOM 809 CA LYS A 99 4.185 2.467 -8.796 1.00 0.00 C ATOM 810 C LYS A 99 5.172 3.521 -9.269 1.00 0.00 C ATOM 811 O LYS A 99 6.366 3.375 -9.016 1.00 0.00 O ATOM 812 CB LYS A 99 3.681 1.572 -9.929 1.00 0.00 C ATOM 813 CG LYS A 99 4.892 0.929 -10.615 1.00 0.00 C ATOM 814 CD LYS A 99 4.422 -0.278 -11.417 1.00 0.00 C ATOM 815 CE LYS A 99 5.531 -0.978 -12.210 1.00 0.00 C ATOM 816 NZ LYS A 99 5.034 -2.237 -12.803 1.00 0.00 N ATOM 0 H LYS A 99 2.167 2.799 -8.482 1.00 0.00 H new ATOM 0 HA LYS A 99 4.728 1.826 -8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.015 0.803 -9.537 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.105 2.157 -10.646 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.381 1.650 -11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.628 0.624 -9.871 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.968 -0.998 -10.736 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.643 0.041 -12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.894 -0.318 -12.998 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.377 -1.188 -11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.581 -2.457 -13.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.141 -3.010 -12.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.030 -2.131 -13.052 1.00 0.00 H new ATOM 817 N LYS A 100 4.711 4.586 -9.934 1.00 0.00 N ATOM 818 CA LYS A 100 5.638 5.622 -10.336 1.00 0.00 C ATOM 819 C LYS A 100 6.180 6.276 -9.062 1.00 0.00 C ATOM 820 O LYS A 100 7.380 6.286 -8.840 1.00 0.00 O ATOM 821 CB LYS A 100 4.976 6.613 -11.310 1.00 0.00 C ATOM 822 CG LYS A 100 5.842 6.961 -12.545 1.00 0.00 C ATOM 823 CD LYS A 100 7.012 7.964 -12.403 1.00 0.00 C ATOM 824 CE LYS A 100 7.959 7.642 -11.237 1.00 0.00 C ATOM 825 NZ LYS A 100 9.343 8.140 -11.345 1.00 0.00 N ATOM 0 H LYS A 100 3.737 4.742 -10.193 1.00 0.00 H new ATOM 0 HA LYS A 100 6.477 5.206 -10.894 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.029 6.193 -11.650 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.743 7.532 -10.773 1.00 0.00 H new ATOM 0 HG2 LYS A 100 6.258 6.028 -12.925 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.173 7.348 -13.313 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.583 7.977 -13.331 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.606 8.966 -12.264 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.523 8.047 -10.324 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.996 6.559 -11.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.748 8.248 -10.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.914 7.463 -11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.344 9.061 -11.828 1.00 0.00 H new ATOM 826 N ALA A 101 5.299 6.797 -8.211 1.00 0.00 N ATOM 827 CA ALA A 101 5.636 7.562 -7.015 1.00 0.00 C ATOM 828 C ALA A 101 6.671 6.880 -6.114 1.00 0.00 C ATOM 829 O ALA A 101 7.405 7.555 -5.397 1.00 0.00 O ATOM 830 CB ALA A 101 4.352 7.856 -6.238 1.00 0.00 C ATOM 0 H ALA A 101 4.293 6.693 -8.341 1.00 0.00 H new ATOM 0 HA ALA A 101 6.107 8.488 -7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.592 8.428 -5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.671 8.432 -6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.876 6.918 -5.953 1.00 0.00 H new ATOM 831 N SER A 102 6.721 5.546 -6.131 1.00 0.00 N ATOM 832 CA SER A 102 7.713 4.792 -5.380 1.00 0.00 C ATOM 833 C SER A 102 9.163 5.074 -5.823 1.00 0.00 C ATOM 834 O SER A 102 10.072 4.835 -5.029 1.00 0.00 O ATOM 835 CB SER A 102 7.359 3.300 -5.404 1.00 0.00 C ATOM 836 OG SER A 102 7.555 2.694 -6.666 1.00 0.00 O ATOM 0 H SER A 102 6.075 4.965 -6.665 1.00 0.00 H new ATOM 0 HA SER A 102 7.678 5.135 -4.346 1.00 0.00 H new ATOM 0 HB2 SER A 102 7.964 2.779 -4.662 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.317 3.177 -5.109 1.00 0.00 H new ATOM 0 HG SER A 102 6.996 3.142 -7.335 1.00 0.00 H new ATOM 837 N GLU A 103 9.346 5.544 -7.064 1.00 0.00 N ATOM 838 CA GLU A 103 10.569 5.972 -7.724 1.00 0.00 C ATOM 839 C GLU A 103 10.576 7.512 -7.805 1.00 0.00 C ATOM 840 O GLU A 103 10.015 8.053 -8.790 1.00 0.00 O ATOM 841 CB GLU A 103 10.565 5.328 -9.125 1.00 0.00 C ATOM 842 CG GLU A 103 11.806 5.598 -9.986 1.00 0.00 C ATOM 843 CD GLU A 103 11.529 5.315 -11.457 1.00 0.00 C ATOM 844 OE1 GLU A 103 10.880 6.188 -12.083 1.00 0.00 O ATOM 845 OE2 GLU A 103 11.945 4.237 -11.928 1.00 0.00 O ATOM 846 OXT GLU A 103 11.151 8.136 -6.887 1.00 0.00 O ATOM 0 H GLU A 103 8.548 5.641 -7.692 1.00 0.00 H new ATOM 0 HA GLU A 103 11.464 5.666 -7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.454 4.250 -9.009 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.687 5.682 -9.665 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.117 6.636 -9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.632 4.976 -9.643 1.00 0.00 H new TER 847 GLU A 103 HETATM 848 C CYN A 105 -3.635 -0.663 3.930 1.00 0.00 C HETATM 849 N CYN A 105 -4.475 -1.577 3.712 1.00 0.00 N HETATM 850 FE HEM A 104 -2.428 0.733 4.117 1.00 0.00 FE HETATM 851 CHA HEM A 104 -0.096 -1.571 5.373 1.00 0.00 C HETATM 852 CHB HEM A 104 -1.167 0.266 0.937 1.00 0.00 C HETATM 853 CHC HEM A 104 -4.921 2.787 2.917 1.00 0.00 C HETATM 854 CHD HEM A 104 -3.402 1.470 7.371 1.00 0.00 C HETATM 855 NA HEM A 104 -0.950 -0.510 3.289 1.00 0.00 N HETATM 856 C1A HEM A 104 -0.142 -1.369 3.995 1.00 0.00 C HETATM 857 C2A HEM A 104 0.749 -2.004 3.052 1.00 0.00 C HETATM 858 C3A HEM A 104 0.483 -1.455 1.818 1.00 0.00 C HETATM 859 C4A HEM A 104 -0.607 -0.511 1.969 1.00 0.00 C HETATM 860 CMA HEM A 104 1.224 -1.797 0.553 1.00 0.00 C HETATM 861 CAA HEM A 104 1.822 -3.038 3.356 1.00 0.00 C HETATM 862 CBA HEM A 104 3.147 -2.452 3.868 1.00 0.00 C HETATM 863 CGA HEM A 104 4.247 -3.490 4.126 1.00 0.00 C HETATM 864 O1A HEM A 104 5.312 -3.062 4.619 1.00 0.00 O HETATM 865 O2A HEM A 104 4.029 -4.692 3.859 1.00 0.00 O HETATM 866 NB HEM A 104 -2.954 1.406 2.261 1.00 0.00 N HETATM 867 C1B HEM A 104 -2.263 1.137 1.111 1.00 0.00 C HETATM 868 C2B HEM A 104 -2.853 1.951 0.068 1.00 0.00 C HETATM 869 C3B HEM A 104 -3.934 2.613 0.615 1.00 0.00 C HETATM 870 C4B HEM A 104 -3.988 2.265 2.014 1.00 0.00 C HETATM 871 CMB HEM A 104 -2.308 2.144 -1.329 1.00 0.00 C HETATM 872 CAB HEM A 104 -4.869 3.571 -0.099 1.00 0.00 C HETATM 873 CBB HEM A 104 -5.857 2.864 -1.021 1.00 0.00 C HETATM 874 NC HEM A 104 -3.951 1.878 4.994 1.00 0.00 N HETATM 875 C1C HEM A 104 -4.847 2.624 4.297 1.00 0.00 C HETATM 876 C2C HEM A 104 -5.696 3.301 5.252 1.00 0.00 C HETATM 877 C3C HEM A 104 -5.222 2.993 6.509 1.00 0.00 C HETATM 878 C4C HEM A 104 -4.140 2.044 6.333 1.00 0.00 C HETATM 879 CMC HEM A 104 -6.810 4.277 4.944 1.00 0.00 C HETATM 880 CAC HEM A 104 -5.602 3.680 7.812 1.00 0.00 C HETATM 881 CBC HEM A 104 -7.062 3.516 8.240 1.00 0.00 C HETATM 882 ND HEM A 104 -1.845 0.087 6.016 1.00 0.00 N HETATM 883 C1D HEM A 104 -2.362 0.564 7.187 1.00 0.00 C HETATM 884 C2D HEM A 104 -1.636 -0.053 8.271 1.00 0.00 C HETATM 885 C3D HEM A 104 -0.718 -0.911 7.712 1.00 0.00 C HETATM 886 C4D HEM A 104 -0.863 -0.832 6.278 1.00 0.00 C HETATM 887 CMD HEM A 104 -1.866 0.182 9.747 1.00 0.00 C HETATM 888 CAD HEM A 104 0.168 -1.878 8.457 1.00 0.00 C HETATM 889 CBD HEM A 104 -0.505 -3.241 8.516 1.00 0.00 C HETATM 890 CGD HEM A 104 0.216 -4.195 9.444 1.00 0.00 C HETATM 891 O1D HEM A 104 1.241 -4.758 8.996 1.00 0.00 O HETATM 892 O2D HEM A 104 -0.294 -4.341 10.577 1.00 0.00 O HETATM 0 HMA1 HEM A 104 2.248 -2.079 0.796 1.00 0.00 H new HETATM 0 HMA2 HEM A 104 1.234 -0.931 -0.109 1.00 0.00 H new HETATM 0 HMA3 HEM A 104 0.727 -2.629 0.054 1.00 0.00 H new HETATM 0 HMB1 HEM A 104 -3.132 2.322 -2.020 1.00 0.00 H new HETATM 0 HMB2 HEM A 104 -1.765 1.249 -1.635 1.00 0.00 H new HETATM 0 HMB3 HEM A 104 -1.633 3.000 -1.341 1.00 0.00 H new HETATM 0 HMC1 HEM A 104 -7.574 4.213 5.718 1.00 0.00 H new HETATM 0 HMC2 HEM A 104 -7.251 4.032 3.978 1.00 0.00 H new HETATM 0 HMC3 HEM A 104 -6.408 5.290 4.914 1.00 0.00 H new HETATM 0 HMD1 HEM A 104 -2.235 1.196 9.901 1.00 0.00 H new HETATM 0 HMD2 HEM A 104 -0.928 0.051 10.287 1.00 0.00 H new HETATM 0 HMD3 HEM A 104 -2.601 -0.532 10.119 1.00 0.00 H new HETATM 0 HBB1 HEM A 104 -6.582 3.445 -1.591 1.00 0.00 H new HETATM 0 HBB2 HEM A 104 -5.838 1.778 -1.110 1.00 0.00 H new HETATM 0 HBC1 HEM A 104 -7.415 3.978 9.162 1.00 0.00 H new HETATM 0 HBC2 HEM A 104 -7.749 2.937 7.623 1.00 0.00 H new HETATM 0 HBA1 HEM A 104 2.955 -1.908 4.793 1.00 0.00 H new HETATM 0 HBA2 HEM A 104 3.513 -1.727 3.141 1.00 0.00 H new HETATM 0 HAA1 HEM A 104 2.020 -3.614 2.452 1.00 0.00 H new HETATM 0 HAA2 HEM A 104 1.436 -3.735 4.100 1.00 0.00 H new HETATM 0 HBD1 HEM A 104 -0.542 -3.670 7.514 1.00 0.00 H new HETATM 0 HBD2 HEM A 104 -1.536 -3.121 8.850 1.00 0.00 H new HETATM 0 HAD1 HEM A 104 0.358 -1.511 9.465 1.00 0.00 H new HETATM 0 HAD2 HEM A 104 1.135 -1.959 7.960 1.00 0.00 H new HETATM 0 HHA HEM A 104 0.563 -2.334 5.760 1.00 0.00 H new HETATM 0 HHB HEM A 104 -0.731 0.191 -0.048 1.00 0.00 H new HETATM 0 HHC HEM A 104 -5.751 3.352 2.518 1.00 0.00 H new HETATM 0 HHD HEM A 104 -3.655 1.748 8.383 1.00 0.00 H new HETATM 0 HAB HEM A 104 -4.838 4.652 0.033 1.00 0.00 H new HETATM 0 HAC HEM A 104 -4.883 4.250 8.401 1.00 0.00 H new