USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 877 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 67 HIS : no HE2:sc= -0.741 K(o=-2.3,f=-19!) USER MOD Set 1.2: A 80 MET CE :methyl -164:sc= -1.57 (180deg=0) USER MOD Set 2.1: A 63 ASN : amide:sc= -7.76! C(o=-14!,f=-16!) USER MOD Set 2.2: A 74 TYR OH : rot 149:sc= -5.78! USER MOD Set 3.1: A 19 THR OG1 : rot 175:sc= -3.41! USER MOD Set 3.2: A 31 ASN : amide:sc= -6.23! C(o=-9.6!,f=-3.1!) USER MOD Set 4.1: A -5 THR OG1 : rot -170:sc= 0.016 USER MOD Set 4.2: A 65 SER OG : rot -79:sc= 1.16 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0469 USER MOD Single : A -2 LYS NZ :NH3+ -175:sc= -0.0291 (180deg=-0.0468) USER MOD Single : A -5 THR N :NH3+ 138:sc= 0.0297 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -23:sc= 1.11 USER MOD Single : A 16 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.42) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.24 K(o=-0.24,f=-4.4!) USER MOD Single : A 27 LYS NZ :NH3+ 143:sc= -0.393 (180deg=-2.18!) USER MOD Single : A 33 HIS : no HD1:sc= -2.47! C(o=-2.5!,f=-2.3!) USER MOD Single : A 39 HIS : no HD1:sc= -4.01 K(o=-4,f=-4.9!) USER MOD Single : A 40 SER OG : rot 97:sc= -0.349! USER MOD Single : A 42 GLN : amide:sc= -1.88 K(o=-1.9,f=-4.4!) USER MOD Single : A 46 TYR OH : rot 69:sc= 0.624 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 42:sc= -1.6! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.16) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.2 K(o=-2.2,f=-0.74) USER MOD Single : A 62 ASN : amide:sc= 0.0155 X(o=0.016,f=0) USER MOD Single : A 64 MET CE :methyl -140:sc= -0.47 (180deg=-3.38) USER MOD Single : A 69 THR OG1 : rot 77:sc= 1.06 USER MOD Single : A 70 ASN : amide:sc= -2.43! C(o=-2.4!,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= -0.197 USER MOD Single : A 79 LYS NZ :NH3+ 146:sc= -0.314 (180deg=-0.632) USER MOD Single : A 86 LYS NZ :NH3+ -120:sc= -0.529 (180deg=-1.95!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -1.63! C(o=-1.6!,f=-1.8!) USER MOD Single : A 96 THR OG1 : rot 80:sc= -0.248 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -108:sc= -0.383 (180deg=-1.36) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -27:sc= 0.775 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -12.569 -10.521 -2.243 1.00 0.00 N ATOM 2 CA THR A -5 -11.965 -10.355 -0.890 1.00 0.00 C ATOM 3 C THR A -5 -12.994 -9.728 0.054 1.00 0.00 C ATOM 4 O THR A -5 -13.757 -8.863 -0.330 1.00 0.00 O ATOM 5 CB THR A -5 -10.739 -9.443 -0.987 1.00 0.00 C ATOM 6 OG1 THR A -5 -9.817 -9.993 -1.917 1.00 0.00 O ATOM 7 CG2 THR A -5 -10.075 -9.328 0.386 1.00 0.00 C ATOM 0 H1 THR A -5 -11.875 -10.249 -2.969 1.00 0.00 H new ATOM 0 H2 THR A -5 -12.843 -11.515 -2.381 1.00 0.00 H new ATOM 0 H3 THR A -5 -13.410 -9.915 -2.324 1.00 0.00 H new ATOM 0 HA THR A -5 -11.664 -11.329 -0.504 1.00 0.00 H new ATOM 0 HB THR A -5 -11.047 -8.452 -1.321 1.00 0.00 H new ATOM 0 HG1 THR A -5 -8.970 -9.503 -1.866 1.00 0.00 H new ATOM 0 HG21 THR A -5 -9.203 -8.678 0.315 1.00 0.00 H new ATOM 0 HG22 THR A -5 -10.784 -8.907 1.099 1.00 0.00 H new ATOM 0 HG23 THR A -5 -9.765 -10.317 0.724 1.00 0.00 H new ATOM 17 N GLU A -4 -13.020 -10.155 1.286 1.00 0.00 N ATOM 18 CA GLU A -4 -13.999 -9.584 2.254 1.00 0.00 C ATOM 19 C GLU A -4 -13.287 -8.580 3.165 1.00 0.00 C ATOM 20 O GLU A -4 -12.166 -8.795 3.582 1.00 0.00 O ATOM 21 CB GLU A -4 -14.595 -10.708 3.102 1.00 0.00 C ATOM 22 CG GLU A -4 -15.695 -10.142 4.001 1.00 0.00 C ATOM 23 CD GLU A -4 -16.890 -9.721 3.144 1.00 0.00 C ATOM 24 OE1 GLU A -4 -17.035 -10.263 2.060 1.00 0.00 O ATOM 25 OE2 GLU A -4 -17.639 -8.866 3.584 1.00 0.00 O ATOM 0 H GLU A -4 -12.405 -10.875 1.665 1.00 0.00 H new ATOM 0 HA GLU A -4 -14.797 -9.080 1.709 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -15.003 -11.487 2.458 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -13.817 -11.171 3.709 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -16.003 -10.890 4.731 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -15.317 -9.287 4.561 1.00 0.00 H new ATOM 32 N PHE A -3 -13.927 -7.485 3.473 1.00 0.00 N ATOM 33 CA PHE A -3 -13.283 -6.472 4.353 1.00 0.00 C ATOM 34 C PHE A -3 -13.826 -6.607 5.778 1.00 0.00 C ATOM 35 O PHE A -3 -15.021 -6.639 5.999 1.00 0.00 O ATOM 36 CB PHE A -3 -13.588 -5.068 3.824 1.00 0.00 C ATOM 37 CG PHE A -3 -12.876 -4.044 4.674 1.00 0.00 C ATOM 38 CD1 PHE A -3 -11.539 -3.718 4.410 1.00 0.00 C ATOM 39 CD2 PHE A -3 -13.552 -3.419 5.729 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.880 -2.771 5.203 1.00 0.00 C ATOM 41 CE2 PHE A -3 -12.893 -2.471 6.521 1.00 0.00 C ATOM 42 CZ PHE A -3 -11.558 -2.148 6.258 1.00 0.00 C ATOM 0 H PHE A -3 -14.866 -7.249 3.153 1.00 0.00 H new ATOM 0 HA PHE A -3 -12.205 -6.634 4.359 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -13.267 -4.981 2.786 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -14.663 -4.887 3.841 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.017 -4.197 3.595 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -14.583 -3.669 5.932 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.849 -2.521 5.001 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -13.415 -1.990 7.334 1.00 0.00 H new ATOM 0 HZ PHE A -3 -11.049 -1.417 6.869 1.00 0.00 H new ATOM 52 N LYS A -2 -12.955 -6.685 6.747 1.00 0.00 N ATOM 53 CA LYS A -2 -13.413 -6.816 8.157 1.00 0.00 C ATOM 54 C LYS A -2 -13.745 -5.429 8.712 1.00 0.00 C ATOM 55 O LYS A -2 -13.503 -4.426 8.073 1.00 0.00 O ATOM 56 CB LYS A -2 -12.298 -7.445 8.991 1.00 0.00 C ATOM 57 CG LYS A -2 -12.056 -8.878 8.516 1.00 0.00 C ATOM 58 CD LYS A -2 -10.850 -9.460 9.254 1.00 0.00 C ATOM 59 CE LYS A -2 -11.110 -9.422 10.760 1.00 0.00 C ATOM 60 NZ LYS A -2 -10.269 -10.451 11.435 1.00 0.00 N ATOM 0 H LYS A -2 -11.943 -6.663 6.621 1.00 0.00 H new ATOM 0 HA LYS A -2 -14.301 -7.447 8.199 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -11.384 -6.859 8.897 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -12.571 -7.441 10.046 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -12.940 -9.489 8.702 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -11.880 -8.892 7.440 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -10.672 -10.485 8.930 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -9.953 -8.889 9.014 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -10.880 -8.432 11.155 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -12.165 -9.609 10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -10.507 -10.484 12.447 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -10.448 -11.382 11.007 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -9.264 -10.206 11.323 1.00 0.00 H new ATOM 74 N ALA A -1 -14.305 -5.370 9.892 1.00 0.00 N ATOM 75 CA ALA A -1 -14.659 -4.050 10.493 1.00 0.00 C ATOM 76 C ALA A -1 -13.574 -3.022 10.162 1.00 0.00 C ATOM 77 O ALA A -1 -13.823 -1.833 10.124 1.00 0.00 O ATOM 78 CB ALA A -1 -14.776 -4.194 12.011 1.00 0.00 C ATOM 0 H ALA A -1 -14.533 -6.181 10.467 1.00 0.00 H new ATOM 0 HA ALA A -1 -15.612 -3.714 10.083 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -15.034 -3.230 12.449 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -15.553 -4.921 12.249 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -13.824 -4.534 12.419 1.00 0.00 H new ATOM 84 N GLY A 1 -12.376 -3.470 9.915 1.00 0.00 N ATOM 85 CA GLY A 1 -11.281 -2.519 9.577 1.00 0.00 C ATOM 86 C GLY A 1 -10.599 -2.033 10.857 1.00 0.00 C ATOM 87 O GLY A 1 -10.881 -0.959 11.349 1.00 0.00 O ATOM 0 H GLY A 1 -12.107 -4.454 9.932 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.552 -3.006 8.929 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.683 -1.670 9.024 1.00 0.00 H new ATOM 91 N SER A 2 -9.698 -2.812 11.392 1.00 0.00 N ATOM 92 CA SER A 2 -8.985 -2.395 12.634 1.00 0.00 C ATOM 93 C SER A 2 -7.484 -2.328 12.352 1.00 0.00 C ATOM 94 O SER A 2 -6.945 -3.133 11.620 1.00 0.00 O ATOM 95 CB SER A 2 -9.251 -3.417 13.741 1.00 0.00 C ATOM 96 OG SER A 2 -10.651 -3.510 13.967 1.00 0.00 O ATOM 0 H SER A 2 -9.424 -3.722 11.021 1.00 0.00 H new ATOM 0 HA SER A 2 -9.343 -1.416 12.952 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.851 -4.390 13.457 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.742 -3.119 14.657 1.00 0.00 H new ATOM 0 HG SER A 2 -10.825 -4.165 14.675 1.00 0.00 H new ATOM 102 N ALA A 3 -6.802 -1.375 12.923 1.00 0.00 N ATOM 103 CA ALA A 3 -5.337 -1.263 12.680 1.00 0.00 C ATOM 104 C ALA A 3 -4.596 -2.298 13.524 1.00 0.00 C ATOM 105 O ALA A 3 -4.248 -3.364 13.056 1.00 0.00 O ATOM 106 CB ALA A 3 -4.862 0.141 13.062 1.00 0.00 C ATOM 0 H ALA A 3 -7.195 -0.670 13.547 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.131 -1.443 11.625 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.790 0.223 12.884 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.388 0.880 12.457 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.070 0.321 14.117 1.00 0.00 H new ATOM 112 N LYS A 4 -4.355 -1.991 14.768 1.00 0.00 N ATOM 113 CA LYS A 4 -3.637 -2.953 15.648 1.00 0.00 C ATOM 114 C LYS A 4 -2.470 -3.582 14.877 1.00 0.00 C ATOM 115 O LYS A 4 -1.418 -2.990 14.740 1.00 0.00 O ATOM 116 CB LYS A 4 -4.612 -4.045 16.108 1.00 0.00 C ATOM 117 CG LYS A 4 -3.927 -4.988 17.103 1.00 0.00 C ATOM 118 CD LYS A 4 -3.888 -4.344 18.493 1.00 0.00 C ATOM 119 CE LYS A 4 -3.414 -5.374 19.520 1.00 0.00 C ATOM 120 NZ LYS A 4 -3.175 -4.698 20.826 1.00 0.00 N ATOM 0 H LYS A 4 -4.625 -1.114 15.213 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.245 -2.431 16.521 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.486 -3.589 16.572 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.967 -4.611 15.247 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.464 -5.936 17.147 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.914 -5.211 16.768 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.218 -3.484 18.488 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.878 -3.975 18.762 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.162 -6.159 19.636 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.499 -5.854 19.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.853 -5.397 21.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.447 -3.964 20.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.058 -4.260 21.157 1.00 0.00 H new ATOM 134 N LYS A 5 -2.644 -4.776 14.377 1.00 0.00 N ATOM 135 CA LYS A 5 -1.540 -5.436 13.622 1.00 0.00 C ATOM 136 C LYS A 5 -1.190 -4.611 12.382 1.00 0.00 C ATOM 137 O LYS A 5 -0.035 -4.422 12.057 1.00 0.00 O ATOM 138 CB LYS A 5 -1.984 -6.836 13.195 1.00 0.00 C ATOM 139 CG LYS A 5 -2.221 -7.697 14.437 1.00 0.00 C ATOM 140 CD LYS A 5 -2.552 -9.129 14.011 1.00 0.00 C ATOM 141 CE LYS A 5 -2.911 -9.958 15.245 1.00 0.00 C ATOM 142 NZ LYS A 5 -4.393 -10.001 15.401 1.00 0.00 N ATOM 0 H LYS A 5 -3.502 -5.322 14.459 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.661 -5.509 14.262 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.897 -6.775 12.602 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.223 -7.293 12.562 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.334 -7.691 15.071 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.039 -7.284 15.028 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.384 -9.127 13.306 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.700 -9.573 13.497 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.516 -10.969 15.145 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.454 -9.524 16.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.638 -10.565 16.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.758 -9.034 15.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.819 -10.434 14.557 1.00 0.00 H new ATOM 156 N GLY A 6 -2.178 -4.122 11.679 1.00 0.00 N ATOM 157 CA GLY A 6 -1.893 -3.317 10.457 1.00 0.00 C ATOM 158 C GLY A 6 -1.063 -2.085 10.825 1.00 0.00 C ATOM 159 O GLY A 6 -0.184 -1.677 10.093 1.00 0.00 O ATOM 0 H GLY A 6 -3.167 -4.245 11.898 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.355 -3.924 9.729 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.827 -3.009 9.988 1.00 0.00 H new ATOM 163 N ALA A 7 -1.338 -1.484 11.951 1.00 0.00 N ATOM 164 CA ALA A 7 -0.567 -0.276 12.355 1.00 0.00 C ATOM 165 C ALA A 7 0.902 -0.645 12.562 1.00 0.00 C ATOM 166 O ALA A 7 1.789 -0.021 12.015 1.00 0.00 O ATOM 167 CB ALA A 7 -1.140 0.284 13.658 1.00 0.00 C ATOM 0 H ALA A 7 -2.062 -1.777 12.607 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.642 0.477 11.570 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.575 1.168 13.953 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.186 0.554 13.509 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.068 -0.471 14.441 1.00 0.00 H new ATOM 173 N THR A 8 1.167 -1.654 13.342 1.00 0.00 N ATOM 174 CA THR A 8 2.578 -2.058 13.574 1.00 0.00 C ATOM 175 C THR A 8 3.128 -2.714 12.307 1.00 0.00 C ATOM 176 O THR A 8 4.268 -2.511 11.939 1.00 0.00 O ATOM 177 CB THR A 8 2.633 -3.052 14.734 1.00 0.00 C ATOM 178 OG1 THR A 8 1.964 -4.249 14.363 1.00 0.00 O ATOM 179 CG2 THR A 8 1.952 -2.445 15.962 1.00 0.00 C ATOM 0 H THR A 8 0.468 -2.215 13.828 1.00 0.00 H new ATOM 0 HA THR A 8 3.179 -1.182 13.819 1.00 0.00 H new ATOM 0 HB THR A 8 3.673 -3.275 14.971 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.000 -4.888 15.106 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.992 -3.155 16.788 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.466 -1.527 16.247 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.912 -2.220 15.727 1.00 0.00 H new ATOM 187 N LEU A 9 2.324 -3.486 11.627 1.00 0.00 N ATOM 188 CA LEU A 9 2.807 -4.131 10.376 1.00 0.00 C ATOM 189 C LEU A 9 3.254 -3.029 9.421 1.00 0.00 C ATOM 190 O LEU A 9 4.267 -3.129 8.759 1.00 0.00 O ATOM 191 CB LEU A 9 1.666 -4.929 9.738 1.00 0.00 C ATOM 192 CG LEU A 9 2.194 -5.713 8.536 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.748 -7.059 9.005 1.00 0.00 C ATOM 194 CD2 LEU A 9 1.054 -5.951 7.543 1.00 0.00 C ATOM 0 H LEU A 9 1.359 -3.696 11.883 1.00 0.00 H new ATOM 0 HA LEU A 9 3.634 -4.807 10.591 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.234 -5.613 10.469 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.870 -4.255 9.423 1.00 0.00 H new ATOM 0 HG LEU A 9 2.987 -5.143 8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.124 -7.617 8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.560 -6.892 9.713 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.956 -7.630 9.490 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.429 -6.510 6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.261 -6.520 8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.658 -4.993 7.207 1.00 0.00 H new ATOM 206 N PHE A 10 2.501 -1.969 9.366 1.00 0.00 N ATOM 207 CA PHE A 10 2.859 -0.831 8.480 1.00 0.00 C ATOM 208 C PHE A 10 4.190 -0.241 8.954 1.00 0.00 C ATOM 209 O PHE A 10 5.089 0.015 8.177 1.00 0.00 O ATOM 210 CB PHE A 10 1.761 0.231 8.582 1.00 0.00 C ATOM 211 CG PHE A 10 2.029 1.344 7.601 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.624 1.216 6.268 1.00 0.00 C ATOM 213 CD2 PHE A 10 2.680 2.504 8.028 1.00 0.00 C ATOM 214 CE1 PHE A 10 1.877 2.250 5.361 1.00 0.00 C ATOM 215 CE2 PHE A 10 2.933 3.536 7.121 1.00 0.00 C ATOM 216 CZ PHE A 10 2.533 3.410 5.788 1.00 0.00 C ATOM 0 H PHE A 10 1.643 -1.842 9.903 1.00 0.00 H new ATOM 0 HA PHE A 10 2.953 -1.164 7.446 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.789 -0.218 8.379 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.722 0.630 9.596 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.117 0.321 5.940 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.987 2.603 9.059 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.566 2.153 4.331 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.438 4.432 7.450 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.730 4.208 5.087 1.00 0.00 H new ATOM 226 N LYS A 11 4.306 -0.027 10.234 1.00 0.00 N ATOM 227 CA LYS A 11 5.558 0.546 10.800 1.00 0.00 C ATOM 228 C LYS A 11 6.734 -0.403 10.551 1.00 0.00 C ATOM 229 O LYS A 11 7.844 0.018 10.293 1.00 0.00 O ATOM 230 CB LYS A 11 5.382 0.729 12.310 1.00 0.00 C ATOM 231 CG LYS A 11 6.537 1.562 12.866 1.00 0.00 C ATOM 232 CD LYS A 11 6.390 1.689 14.383 1.00 0.00 C ATOM 233 CE LYS A 11 7.451 2.650 14.921 1.00 0.00 C ATOM 234 NZ LYS A 11 7.751 2.315 16.341 1.00 0.00 N ATOM 0 H LYS A 11 3.578 -0.227 10.920 1.00 0.00 H new ATOM 0 HA LYS A 11 5.761 1.503 10.320 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.432 1.222 12.518 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.352 -0.243 12.803 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.489 1.092 12.620 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.541 2.550 12.406 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.394 2.054 14.633 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.498 0.711 14.852 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.358 2.580 14.320 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.097 3.678 14.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.473 2.969 16.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.884 2.403 16.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.106 1.339 16.400 1.00 0.00 H new ATOM 248 N THR A 12 6.501 -1.680 10.660 1.00 0.00 N ATOM 249 CA THR A 12 7.604 -2.666 10.469 1.00 0.00 C ATOM 250 C THR A 12 8.032 -2.754 8.999 1.00 0.00 C ATOM 251 O THR A 12 9.174 -3.047 8.705 1.00 0.00 O ATOM 252 CB THR A 12 7.130 -4.045 10.936 1.00 0.00 C ATOM 253 OG1 THR A 12 6.076 -4.491 10.094 1.00 0.00 O ATOM 254 CG2 THR A 12 6.630 -3.953 12.378 1.00 0.00 C ATOM 0 H THR A 12 5.590 -2.087 10.874 1.00 0.00 H new ATOM 0 HA THR A 12 8.462 -2.335 11.054 1.00 0.00 H new ATOM 0 HB THR A 12 7.959 -4.751 10.886 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.652 -3.719 9.663 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.293 -4.935 12.710 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.440 -3.611 13.023 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.801 -3.248 12.431 1.00 0.00 H new ATOM 262 N ARG A 13 7.143 -2.531 8.069 1.00 0.00 N ATOM 263 CA ARG A 13 7.552 -2.643 6.638 1.00 0.00 C ATOM 264 C ARG A 13 6.759 -1.676 5.755 1.00 0.00 C ATOM 265 O ARG A 13 6.145 -2.083 4.789 1.00 0.00 O ATOM 266 CB ARG A 13 7.304 -4.075 6.155 1.00 0.00 C ATOM 267 CG ARG A 13 8.234 -5.039 6.895 1.00 0.00 C ATOM 268 CD ARG A 13 8.082 -6.444 6.309 1.00 0.00 C ATOM 269 NE ARG A 13 8.830 -7.418 7.152 1.00 0.00 N ATOM 270 CZ ARG A 13 8.683 -8.699 6.958 1.00 0.00 C ATOM 271 NH1 ARG A 13 7.877 -9.127 6.024 1.00 0.00 N ATOM 272 NH2 ARG A 13 9.338 -9.552 7.695 1.00 0.00 N ATOM 0 H ARG A 13 6.168 -2.280 8.232 1.00 0.00 H new ATOM 0 HA ARG A 13 8.610 -2.390 6.564 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.264 -4.352 6.329 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.476 -4.141 5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.268 -4.705 6.805 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.994 -5.049 7.958 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.028 -6.719 6.265 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.460 -6.466 5.287 1.00 0.00 H new ATOM 0 HE ARG A 13 9.458 -7.082 7.882 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.364 -8.460 5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.761 -10.129 5.870 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.967 -9.218 8.425 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.221 -10.554 7.541 1.00 0.00 H new ATOM 286 N CYS A 14 6.768 -0.405 6.053 1.00 0.00 N ATOM 287 CA CYS A 14 6.011 0.543 5.188 1.00 0.00 C ATOM 288 C CYS A 14 6.275 1.993 5.606 1.00 0.00 C ATOM 289 O CYS A 14 6.628 2.824 4.794 1.00 0.00 O ATOM 290 CB CYS A 14 4.517 0.246 5.301 1.00 0.00 C ATOM 291 SG CYS A 14 3.693 0.716 3.760 1.00 0.00 S ATOM 0 H CYS A 14 7.258 0.012 6.844 1.00 0.00 H new ATOM 0 HA CYS A 14 6.342 0.414 4.157 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.360 -0.814 5.502 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.088 0.796 6.138 1.00 0.00 H new ATOM 296 N LEU A 15 6.094 2.306 6.855 1.00 0.00 N ATOM 297 CA LEU A 15 6.320 3.710 7.312 1.00 0.00 C ATOM 298 C LEU A 15 7.735 4.158 6.944 1.00 0.00 C ATOM 299 O LEU A 15 7.962 5.298 6.591 1.00 0.00 O ATOM 300 CB LEU A 15 6.135 3.786 8.831 1.00 0.00 C ATOM 301 CG LEU A 15 6.248 5.241 9.306 1.00 0.00 C ATOM 302 CD1 LEU A 15 4.940 5.987 9.034 1.00 0.00 C ATOM 303 CD2 LEU A 15 6.530 5.256 10.808 1.00 0.00 C ATOM 0 H LEU A 15 5.800 1.654 7.582 1.00 0.00 H new ATOM 0 HA LEU A 15 5.601 4.367 6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.162 3.380 9.107 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.888 3.174 9.328 1.00 0.00 H new ATOM 0 HG LEU A 15 7.058 5.732 8.766 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.032 7.018 9.375 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.730 5.976 7.964 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.125 5.499 9.569 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.612 6.287 11.153 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.715 4.760 11.336 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.464 4.732 11.008 1.00 0.00 H new ATOM 315 N GLN A 16 8.691 3.279 7.029 1.00 0.00 N ATOM 316 CA GLN A 16 10.087 3.670 6.689 1.00 0.00 C ATOM 317 C GLN A 16 10.140 4.207 5.257 1.00 0.00 C ATOM 318 O GLN A 16 10.907 5.097 4.947 1.00 0.00 O ATOM 319 CB GLN A 16 10.999 2.447 6.805 1.00 0.00 C ATOM 320 CG GLN A 16 10.976 1.925 8.242 1.00 0.00 C ATOM 321 CD GLN A 16 11.496 3.008 9.190 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.539 3.586 8.955 1.00 0.00 O ATOM 323 NE2 GLN A 16 10.809 3.310 10.256 1.00 0.00 N ATOM 0 H GLN A 16 8.568 2.309 7.318 1.00 0.00 H new ATOM 0 HA GLN A 16 10.422 4.446 7.378 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.668 1.667 6.119 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.017 2.712 6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.961 1.641 8.520 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.592 1.029 8.324 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.934 2.825 10.453 1.00 0.00 H new ATOM 0 HE22 GLN A 16 11.147 4.031 10.893 1.00 0.00 H new ATOM 332 N CYS A 17 9.343 3.665 4.379 1.00 0.00 N ATOM 333 CA CYS A 17 9.364 4.137 2.964 1.00 0.00 C ATOM 334 C CYS A 17 8.222 5.123 2.700 1.00 0.00 C ATOM 335 O CYS A 17 8.405 6.129 2.044 1.00 0.00 O ATOM 336 CB CYS A 17 9.202 2.940 2.033 1.00 0.00 C ATOM 337 SG CYS A 17 10.657 1.871 2.153 1.00 0.00 S ATOM 0 H CYS A 17 8.679 2.917 4.578 1.00 0.00 H new ATOM 0 HA CYS A 17 10.314 4.639 2.782 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.305 2.380 2.298 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.073 3.281 1.006 1.00 0.00 H new ATOM 342 N HIS A 18 7.042 4.835 3.181 1.00 0.00 N ATOM 343 CA HIS A 18 5.890 5.749 2.927 1.00 0.00 C ATOM 344 C HIS A 18 5.574 6.563 4.183 1.00 0.00 C ATOM 345 O HIS A 18 5.439 6.029 5.266 1.00 0.00 O ATOM 346 CB HIS A 18 4.668 4.917 2.530 1.00 0.00 C ATOM 347 CG HIS A 18 4.861 4.364 1.146 1.00 0.00 C ATOM 348 ND1 HIS A 18 4.699 5.135 0.000 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.181 3.108 0.710 1.00 0.00 C ATOM 350 CE1 HIS A 18 4.920 4.334 -1.063 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.215 3.095 -0.677 1.00 0.00 N ATOM 0 H HIS A 18 6.826 4.008 3.738 1.00 0.00 H new ATOM 0 HA HIS A 18 6.147 6.436 2.121 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.523 4.103 3.241 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.770 5.533 2.564 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.457 6.125 -0.031 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.377 2.258 1.347 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.865 4.656 -2.092 1.00 0.00 H new ATOM 359 N THR A 19 5.456 7.856 4.040 1.00 0.00 N ATOM 360 CA THR A 19 5.151 8.717 5.217 1.00 0.00 C ATOM 361 C THR A 19 3.634 8.884 5.362 1.00 0.00 C ATOM 362 O THR A 19 3.130 9.155 6.433 1.00 0.00 O ATOM 363 CB THR A 19 5.798 10.088 5.015 1.00 0.00 C ATOM 364 OG1 THR A 19 5.070 10.814 4.035 1.00 0.00 O ATOM 365 CG2 THR A 19 7.245 9.907 4.546 1.00 0.00 C ATOM 0 H THR A 19 5.558 8.354 3.155 1.00 0.00 H new ATOM 0 HA THR A 19 5.546 8.251 6.120 1.00 0.00 H new ATOM 0 HB THR A 19 5.788 10.637 5.957 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.434 11.721 3.963 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.706 10.884 4.402 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.804 9.349 5.297 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.256 9.358 3.604 1.00 0.00 H new ATOM 373 N VAL A 20 2.905 8.727 4.291 1.00 0.00 N ATOM 374 CA VAL A 20 1.421 8.877 4.364 1.00 0.00 C ATOM 375 C VAL A 20 1.060 10.233 4.975 1.00 0.00 C ATOM 376 O VAL A 20 -0.100 10.545 5.161 1.00 0.00 O ATOM 377 CB VAL A 20 0.837 7.766 5.235 1.00 0.00 C ATOM 378 CG1 VAL A 20 -0.664 7.642 4.970 1.00 0.00 C ATOM 379 CG2 VAL A 20 1.524 6.443 4.903 1.00 0.00 C ATOM 0 H VAL A 20 3.272 8.501 3.367 1.00 0.00 H new ATOM 0 HA VAL A 20 1.010 8.813 3.357 1.00 0.00 H new ATOM 0 HB VAL A 20 1.000 8.007 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.079 6.849 5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.155 8.585 5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.829 7.403 3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.107 5.651 5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.362 6.203 3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.593 6.530 5.095 1.00 0.00 H new ATOM 389 N GLU A 21 2.032 11.042 5.293 1.00 0.00 N ATOM 390 CA GLU A 21 1.719 12.371 5.892 1.00 0.00 C ATOM 391 C GLU A 21 1.767 13.446 4.805 1.00 0.00 C ATOM 392 O GLU A 21 2.755 13.605 4.117 1.00 0.00 O ATOM 393 CB GLU A 21 2.748 12.695 6.977 1.00 0.00 C ATOM 394 CG GLU A 21 2.347 13.987 7.692 1.00 0.00 C ATOM 395 CD GLU A 21 3.427 14.365 8.708 1.00 0.00 C ATOM 396 OE1 GLU A 21 4.411 13.650 8.789 1.00 0.00 O ATOM 397 OE2 GLU A 21 3.250 15.363 9.386 1.00 0.00 O ATOM 0 H GLU A 21 3.024 10.843 5.165 1.00 0.00 H new ATOM 0 HA GLU A 21 0.722 12.346 6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.808 11.875 7.692 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.738 12.805 6.533 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.217 14.791 6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.390 13.854 8.196 1.00 0.00 H new ATOM 404 N LYS A 22 0.705 14.191 4.649 1.00 0.00 N ATOM 405 CA LYS A 22 0.691 15.258 3.608 1.00 0.00 C ATOM 406 C LYS A 22 1.619 16.400 4.033 1.00 0.00 C ATOM 407 O LYS A 22 2.331 16.967 3.229 1.00 0.00 O ATOM 408 CB LYS A 22 -0.737 15.786 3.438 1.00 0.00 C ATOM 409 CG LYS A 22 -1.161 16.551 4.694 1.00 0.00 C ATOM 410 CD LYS A 22 -2.637 16.936 4.581 1.00 0.00 C ATOM 411 CE LYS A 22 -2.982 17.958 5.665 1.00 0.00 C ATOM 412 NZ LYS A 22 -4.462 18.030 5.828 1.00 0.00 N ATOM 0 H LYS A 22 -0.151 14.107 5.197 1.00 0.00 H new ATOM 0 HA LYS A 22 1.038 14.847 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.791 16.440 2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.422 14.957 3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.001 15.935 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.549 17.445 4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.840 17.353 3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.264 16.051 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.515 17.675 6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.587 18.937 5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.697 18.725 6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.897 18.319 4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.827 17.096 6.104 1.00 0.00 H new ATOM 426 N GLY A 23 1.611 16.744 5.292 1.00 0.00 N ATOM 427 CA GLY A 23 2.487 17.851 5.771 1.00 0.00 C ATOM 428 C GLY A 23 3.951 17.504 5.504 1.00 0.00 C ATOM 429 O GLY A 23 4.748 18.353 5.158 1.00 0.00 O ATOM 0 H GLY A 23 1.035 16.306 6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.225 18.780 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.331 18.015 6.837 1.00 0.00 H new ATOM 433 N GLY A 24 4.313 16.262 5.663 1.00 0.00 N ATOM 434 CA GLY A 24 5.728 15.861 5.422 1.00 0.00 C ATOM 435 C GLY A 24 5.980 15.755 3.916 1.00 0.00 C ATOM 436 O GLY A 24 5.068 15.545 3.141 1.00 0.00 O ATOM 0 H GLY A 24 3.690 15.506 5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.405 16.592 5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.933 14.905 5.904 1.00 0.00 H new ATOM 440 N PRO A 25 7.214 15.892 3.504 1.00 0.00 N ATOM 441 CA PRO A 25 7.599 15.804 2.065 1.00 0.00 C ATOM 442 C PRO A 25 7.572 14.359 1.559 1.00 0.00 C ATOM 443 O PRO A 25 6.898 13.512 2.113 1.00 0.00 O ATOM 444 CB PRO A 25 9.027 16.350 2.043 1.00 0.00 C ATOM 445 CG PRO A 25 9.569 16.057 3.401 1.00 0.00 C ATOM 446 CD PRO A 25 8.383 16.147 4.362 1.00 0.00 C ATOM 0 HA PRO A 25 6.913 16.353 1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.622 15.869 1.267 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.038 17.420 1.835 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.022 15.066 3.434 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.346 16.772 3.673 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.460 15.411 5.162 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.325 17.127 4.835 1.00 0.00 H new ATOM 454 N HIS A 26 8.303 14.068 0.519 1.00 0.00 N ATOM 455 CA HIS A 26 8.321 12.677 -0.012 1.00 0.00 C ATOM 456 C HIS A 26 9.628 11.995 0.400 1.00 0.00 C ATOM 457 O HIS A 26 10.700 12.546 0.251 1.00 0.00 O ATOM 458 CB HIS A 26 8.225 12.708 -1.539 1.00 0.00 C ATOM 459 CG HIS A 26 6.842 13.135 -1.954 1.00 0.00 C ATOM 460 ND1 HIS A 26 5.846 12.217 -2.260 1.00 0.00 N ATOM 461 CD2 HIS A 26 6.277 14.375 -2.128 1.00 0.00 C ATOM 462 CE1 HIS A 26 4.744 12.912 -2.601 1.00 0.00 C ATOM 463 NE2 HIS A 26 4.955 14.228 -2.534 1.00 0.00 N ATOM 0 H HIS A 26 8.888 14.733 0.014 1.00 0.00 H new ATOM 0 HA HIS A 26 7.474 12.123 0.393 1.00 0.00 H new ATOM 0 HB2 HIS A 26 8.966 13.397 -1.945 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.449 11.722 -1.947 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.781 15.318 -1.974 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.807 12.461 -2.892 1.00 0.00 H new ATOM 0 HE2 HIS A 26 4.286 14.971 -2.738 1.00 0.00 H new ATOM 472 N LYS A 27 9.543 10.798 0.913 1.00 0.00 N ATOM 473 CA LYS A 27 10.777 10.075 1.333 1.00 0.00 C ATOM 474 C LYS A 27 11.142 9.029 0.271 1.00 0.00 C ATOM 475 O LYS A 27 10.910 9.227 -0.905 1.00 0.00 O ATOM 476 CB LYS A 27 10.540 9.407 2.694 1.00 0.00 C ATOM 477 CG LYS A 27 10.419 10.485 3.772 1.00 0.00 C ATOM 478 CD LYS A 27 10.446 9.828 5.155 1.00 0.00 C ATOM 479 CE LYS A 27 10.183 10.884 6.231 1.00 0.00 C ATOM 480 NZ LYS A 27 9.149 10.379 7.179 1.00 0.00 N ATOM 0 H LYS A 27 8.671 10.289 1.060 1.00 0.00 H new ATOM 0 HA LYS A 27 11.605 10.778 1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.632 8.804 2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.363 8.732 2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.237 11.199 3.681 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.492 11.043 3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.692 9.043 5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.413 9.354 5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.105 11.110 6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.847 11.813 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.380 10.691 8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.217 10.753 6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.127 9.340 7.147 1.00 0.00 H new ATOM 494 N VAL A 28 11.722 7.926 0.664 1.00 0.00 N ATOM 495 CA VAL A 28 12.107 6.890 -0.337 1.00 0.00 C ATOM 496 C VAL A 28 10.919 6.585 -1.253 1.00 0.00 C ATOM 497 O VAL A 28 11.073 6.440 -2.449 1.00 0.00 O ATOM 498 CB VAL A 28 12.528 5.612 0.390 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.666 4.471 -0.618 1.00 0.00 C ATOM 500 CG2 VAL A 28 13.871 5.842 1.087 1.00 0.00 C ATOM 0 H VAL A 28 11.945 7.698 1.633 1.00 0.00 H new ATOM 0 HA VAL A 28 12.937 7.262 -0.937 1.00 0.00 H new ATOM 0 HB VAL A 28 11.773 5.351 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.966 3.561 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.710 4.307 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.421 4.731 -1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.172 4.932 1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.626 6.104 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.773 6.654 1.807 1.00 0.00 H new ATOM 510 N GLY A 29 9.738 6.493 -0.702 1.00 0.00 N ATOM 511 CA GLY A 29 8.539 6.201 -1.542 1.00 0.00 C ATOM 512 C GLY A 29 7.566 7.379 -1.467 1.00 0.00 C ATOM 513 O GLY A 29 7.610 8.172 -0.548 1.00 0.00 O ATOM 0 H GLY A 29 9.551 6.607 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.839 6.028 -2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.052 5.290 -1.195 1.00 0.00 H new ATOM 517 N PRO A 30 6.690 7.487 -2.429 1.00 0.00 N ATOM 518 CA PRO A 30 5.679 8.582 -2.483 1.00 0.00 C ATOM 519 C PRO A 30 4.759 8.572 -1.258 1.00 0.00 C ATOM 520 O PRO A 30 4.528 7.546 -0.656 1.00 0.00 O ATOM 521 CB PRO A 30 4.881 8.300 -3.762 1.00 0.00 C ATOM 522 CG PRO A 30 5.181 6.884 -4.130 1.00 0.00 C ATOM 523 CD PRO A 30 6.567 6.573 -3.572 1.00 0.00 C ATOM 0 HA PRO A 30 6.150 9.565 -2.485 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.813 8.442 -3.595 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.172 8.981 -4.562 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.435 6.209 -3.712 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.160 6.752 -5.212 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.651 5.531 -3.263 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.347 6.750 -4.313 1.00 0.00 H new ATOM 531 N ASN A 31 4.237 9.708 -0.880 1.00 0.00 N ATOM 532 CA ASN A 31 3.341 9.751 0.310 1.00 0.00 C ATOM 533 C ASN A 31 1.918 9.374 -0.105 1.00 0.00 C ATOM 534 O ASN A 31 1.441 9.769 -1.149 1.00 0.00 O ATOM 535 CB ASN A 31 3.340 11.166 0.893 1.00 0.00 C ATOM 536 CG ASN A 31 4.777 11.615 1.158 1.00 0.00 C ATOM 537 OD1 ASN A 31 5.145 12.728 0.840 1.00 0.00 O ATOM 538 ND2 ASN A 31 5.612 10.792 1.731 1.00 0.00 N ATOM 0 H ASN A 31 4.392 10.604 -1.342 1.00 0.00 H new ATOM 0 HA ASN A 31 3.700 9.045 1.059 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.855 11.855 0.201 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.765 11.188 1.819 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.573 11.084 1.911 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.304 9.857 1.998 1.00 0.00 H new ATOM 545 N LEU A 32 1.235 8.613 0.708 1.00 0.00 N ATOM 546 CA LEU A 32 -0.159 8.217 0.359 1.00 0.00 C ATOM 547 C LEU A 32 -1.149 9.155 1.051 1.00 0.00 C ATOM 548 O LEU A 32 -0.971 9.529 2.194 1.00 0.00 O ATOM 549 CB LEU A 32 -0.418 6.779 0.819 1.00 0.00 C ATOM 550 CG LEU A 32 0.496 5.819 0.054 1.00 0.00 C ATOM 551 CD1 LEU A 32 1.950 6.012 0.496 1.00 0.00 C ATOM 552 CD2 LEU A 32 0.068 4.377 0.339 1.00 0.00 C ATOM 0 H LEU A 32 1.581 8.250 1.596 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.289 8.282 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.237 6.692 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.462 6.515 0.649 1.00 0.00 H new ATOM 0 HG LEU A 32 0.417 6.026 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.592 5.324 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.259 7.037 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.035 5.812 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.717 3.691 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.145 4.179 1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.963 4.233 0.017 1.00 0.00 H new ATOM 564 N HIS A 33 -2.192 9.536 0.368 1.00 0.00 N ATOM 565 CA HIS A 33 -3.199 10.446 0.981 1.00 0.00 C ATOM 566 C HIS A 33 -4.380 10.601 0.022 1.00 0.00 C ATOM 567 O HIS A 33 -4.375 11.436 -0.859 1.00 0.00 O ATOM 568 CB HIS A 33 -2.561 11.814 1.241 1.00 0.00 C ATOM 569 CG HIS A 33 -2.166 12.442 -0.068 1.00 0.00 C ATOM 570 ND1 HIS A 33 -1.057 12.019 -0.786 1.00 0.00 N ATOM 571 CD2 HIS A 33 -2.722 13.462 -0.801 1.00 0.00 C ATOM 572 CE1 HIS A 33 -0.981 12.774 -1.898 1.00 0.00 C ATOM 573 NE2 HIS A 33 -1.970 13.666 -1.952 1.00 0.00 N ATOM 0 H HIS A 33 -2.391 9.255 -0.592 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.547 10.029 1.926 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.263 12.460 1.769 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.686 11.703 1.882 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.606 14.019 -0.526 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.215 12.670 -2.652 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.140 14.355 -2.685 1.00 0.00 H new ATOM 582 N GLY A 34 -5.390 9.790 0.180 1.00 0.00 N ATOM 583 CA GLY A 34 -6.564 9.881 -0.731 1.00 0.00 C ATOM 584 C GLY A 34 -6.331 8.964 -1.931 1.00 0.00 C ATOM 585 O GLY A 34 -7.091 8.955 -2.879 1.00 0.00 O ATOM 0 H GLY A 34 -5.452 9.070 0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.473 9.590 -0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.704 10.909 -1.064 1.00 0.00 H new ATOM 589 N ILE A 35 -5.278 8.193 -1.893 1.00 0.00 N ATOM 590 CA ILE A 35 -4.981 7.272 -3.025 1.00 0.00 C ATOM 591 C ILE A 35 -6.154 6.315 -3.229 1.00 0.00 C ATOM 592 O ILE A 35 -6.348 5.773 -4.301 1.00 0.00 O ATOM 593 CB ILE A 35 -3.716 6.471 -2.710 1.00 0.00 C ATOM 594 CG1 ILE A 35 -3.221 5.776 -3.982 1.00 0.00 C ATOM 595 CG2 ILE A 35 -4.028 5.418 -1.645 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.799 5.257 -3.761 1.00 0.00 C ATOM 0 H ILE A 35 -4.609 8.162 -1.124 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.827 7.853 -3.935 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.944 7.146 -2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.885 4.951 -4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.239 6.473 -4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.126 4.848 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.380 5.910 -0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.801 4.744 -2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.447 4.763 -4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.140 6.092 -3.524 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.795 4.546 -2.935 1.00 0.00 H new ATOM 608 N PHE A 36 -6.944 6.099 -2.212 1.00 0.00 N ATOM 609 CA PHE A 36 -8.101 5.178 -2.356 1.00 0.00 C ATOM 610 C PHE A 36 -9.089 5.763 -3.364 1.00 0.00 C ATOM 611 O PHE A 36 -9.388 6.941 -3.344 1.00 0.00 O ATOM 612 CB PHE A 36 -8.787 5.022 -0.998 1.00 0.00 C ATOM 613 CG PHE A 36 -7.880 4.264 -0.058 1.00 0.00 C ATOM 614 CD1 PHE A 36 -7.923 2.866 -0.025 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.997 4.958 0.781 1.00 0.00 C ATOM 616 CE1 PHE A 36 -7.086 2.160 0.846 1.00 0.00 C ATOM 617 CE2 PHE A 36 -6.159 4.250 1.653 1.00 0.00 C ATOM 618 CZ PHE A 36 -6.204 2.851 1.684 1.00 0.00 C ATOM 0 H PHE A 36 -6.836 6.521 -1.290 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.759 4.205 -2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.021 6.002 -0.583 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.732 4.491 -1.115 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.603 2.331 -0.672 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.963 6.037 0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.121 1.081 0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.479 4.783 2.301 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.558 2.305 2.355 1.00 0.00 H new ATOM 628 N GLY A 37 -9.593 4.952 -4.251 1.00 0.00 N ATOM 629 CA GLY A 37 -10.556 5.466 -5.266 1.00 0.00 C ATOM 630 C GLY A 37 -9.793 6.272 -6.317 1.00 0.00 C ATOM 631 O GLY A 37 -10.344 7.134 -6.973 1.00 0.00 O ATOM 0 H GLY A 37 -9.381 3.957 -4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.083 4.637 -5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.309 6.091 -4.787 1.00 0.00 H new ATOM 635 N ARG A 38 -8.524 6.000 -6.479 1.00 0.00 N ATOM 636 CA ARG A 38 -7.715 6.748 -7.482 1.00 0.00 C ATOM 637 C ARG A 38 -7.043 5.757 -8.433 1.00 0.00 C ATOM 638 O ARG A 38 -6.757 4.633 -8.071 1.00 0.00 O ATOM 639 CB ARG A 38 -6.640 7.569 -6.763 1.00 0.00 C ATOM 640 CG ARG A 38 -7.289 8.492 -5.725 1.00 0.00 C ATOM 641 CD ARG A 38 -8.067 9.610 -6.426 1.00 0.00 C ATOM 642 NE ARG A 38 -8.436 10.654 -5.429 1.00 0.00 N ATOM 643 CZ ARG A 38 -9.332 10.396 -4.517 1.00 0.00 C ATOM 644 NH1 ARG A 38 -9.906 9.224 -4.479 1.00 0.00 N ATOM 645 NH2 ARG A 38 -9.656 11.309 -3.642 1.00 0.00 N ATOM 0 H ARG A 38 -8.013 5.289 -5.957 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.365 7.415 -8.048 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.929 6.903 -6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.078 8.160 -7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.959 7.918 -5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.523 8.921 -5.080 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.462 10.047 -7.220 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.964 9.206 -6.895 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.988 11.570 -5.460 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.654 8.510 -5.163 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.607 9.022 -3.766 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.208 12.225 -3.671 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.357 11.106 -2.929 1.00 0.00 H new ATOM 659 N HIS A 39 -6.793 6.166 -9.649 1.00 0.00 N ATOM 660 CA HIS A 39 -6.145 5.252 -10.632 1.00 0.00 C ATOM 661 C HIS A 39 -4.823 5.857 -11.110 1.00 0.00 C ATOM 662 O HIS A 39 -4.741 7.029 -11.420 1.00 0.00 O ATOM 663 CB HIS A 39 -7.074 5.060 -11.833 1.00 0.00 C ATOM 664 CG HIS A 39 -6.885 3.679 -12.396 1.00 0.00 C ATOM 665 ND1 HIS A 39 -7.946 2.927 -12.885 1.00 0.00 N ATOM 666 CD2 HIS A 39 -5.766 2.898 -12.557 1.00 0.00 C ATOM 667 CE1 HIS A 39 -7.448 1.752 -13.311 1.00 0.00 C ATOM 668 NE2 HIS A 39 -6.127 1.685 -13.134 1.00 0.00 N ATOM 0 H HIS A 39 -7.011 7.097 -10.004 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.951 4.291 -10.156 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.111 5.202 -11.530 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.859 5.808 -12.596 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.762 3.182 -12.279 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.043 0.961 -13.743 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.511 0.907 -13.372 1.00 0.00 H new ATOM 677 N SER A 40 -3.790 5.059 -11.180 1.00 0.00 N ATOM 678 CA SER A 40 -2.468 5.568 -11.647 1.00 0.00 C ATOM 679 C SER A 40 -1.749 6.293 -10.506 1.00 0.00 C ATOM 680 O SER A 40 -2.215 6.330 -9.386 1.00 0.00 O ATOM 681 CB SER A 40 -2.670 6.533 -12.815 1.00 0.00 C ATOM 682 OG SER A 40 -3.862 6.189 -13.507 1.00 0.00 O ATOM 0 H SER A 40 -3.806 4.070 -10.932 1.00 0.00 H new ATOM 0 HA SER A 40 -1.861 4.723 -11.972 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.731 7.558 -12.449 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.817 6.487 -13.492 1.00 0.00 H new ATOM 0 HG SER A 40 -4.597 6.757 -13.195 1.00 0.00 H new ATOM 688 N GLY A 41 -0.608 6.863 -10.790 1.00 0.00 N ATOM 689 CA GLY A 41 0.159 7.582 -9.734 1.00 0.00 C ATOM 690 C GLY A 41 -0.389 9.001 -9.568 1.00 0.00 C ATOM 691 O GLY A 41 0.250 9.970 -9.929 1.00 0.00 O ATOM 0 H GLY A 41 -0.173 6.861 -11.713 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.088 7.042 -8.790 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.215 7.619 -10.001 1.00 0.00 H new ATOM 695 N GLN A 42 -1.570 9.135 -9.029 1.00 0.00 N ATOM 696 CA GLN A 42 -2.156 10.493 -8.844 1.00 0.00 C ATOM 697 C GLN A 42 -1.240 11.345 -7.958 1.00 0.00 C ATOM 698 O GLN A 42 -1.100 12.534 -8.163 1.00 0.00 O ATOM 699 CB GLN A 42 -3.531 10.375 -8.182 1.00 0.00 C ATOM 700 CG GLN A 42 -4.195 11.754 -8.150 1.00 0.00 C ATOM 701 CD GLN A 42 -5.501 11.675 -7.359 1.00 0.00 C ATOM 702 OE1 GLN A 42 -5.520 11.196 -6.242 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.601 12.132 -7.893 1.00 0.00 N ATOM 0 H GLN A 42 -2.154 8.363 -8.709 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.258 10.969 -9.819 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.154 9.671 -8.734 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.428 9.984 -7.170 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.524 12.481 -7.693 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.393 12.097 -9.165 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.584 12.534 -8.830 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.477 12.087 -7.373 1.00 0.00 H new ATOM 712 N ALA A 43 -0.621 10.755 -6.972 1.00 0.00 N ATOM 713 CA ALA A 43 0.271 11.548 -6.080 1.00 0.00 C ATOM 714 C ALA A 43 1.331 12.258 -6.923 1.00 0.00 C ATOM 715 O ALA A 43 1.841 11.715 -7.884 1.00 0.00 O ATOM 716 CB ALA A 43 0.957 10.619 -5.075 1.00 0.00 C ATOM 0 H ALA A 43 -0.694 9.763 -6.746 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.322 12.286 -5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.608 11.203 -4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.202 10.114 -4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.550 9.878 -5.611 1.00 0.00 H new ATOM 722 N GLU A 44 1.661 13.472 -6.571 1.00 0.00 N ATOM 723 CA GLU A 44 2.683 14.233 -7.347 1.00 0.00 C ATOM 724 C GLU A 44 3.807 14.684 -6.411 1.00 0.00 C ATOM 725 O GLU A 44 3.663 14.680 -5.206 1.00 0.00 O ATOM 726 CB GLU A 44 2.027 15.458 -7.984 1.00 0.00 C ATOM 727 CG GLU A 44 0.908 15.007 -8.926 1.00 0.00 C ATOM 728 CD GLU A 44 0.302 16.229 -9.622 1.00 0.00 C ATOM 729 OE1 GLU A 44 0.636 17.335 -9.231 1.00 0.00 O ATOM 730 OE2 GLU A 44 -0.486 16.036 -10.534 1.00 0.00 O ATOM 0 H GLU A 44 1.264 13.972 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 44 3.097 13.594 -8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.624 16.111 -7.210 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.769 16.036 -8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.301 14.311 -9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.139 14.476 -8.366 1.00 0.00 H new ATOM 737 N GLY A 45 4.923 15.077 -6.960 1.00 0.00 N ATOM 738 CA GLY A 45 6.056 15.534 -6.106 1.00 0.00 C ATOM 739 C GLY A 45 7.104 14.424 -6.000 1.00 0.00 C ATOM 740 O GLY A 45 8.195 14.638 -5.510 1.00 0.00 O ATOM 0 H GLY A 45 5.100 15.102 -7.964 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.505 16.432 -6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.692 15.799 -5.113 1.00 0.00 H new ATOM 744 N TYR A 46 6.788 13.245 -6.464 1.00 0.00 N ATOM 745 CA TYR A 46 7.775 12.128 -6.394 1.00 0.00 C ATOM 746 C TYR A 46 7.805 11.401 -7.742 1.00 0.00 C ATOM 747 O TYR A 46 6.786 11.216 -8.378 1.00 0.00 O ATOM 748 CB TYR A 46 7.374 11.153 -5.285 1.00 0.00 C ATOM 749 CG TYR A 46 8.489 10.157 -5.070 1.00 0.00 C ATOM 750 CD1 TYR A 46 9.616 10.524 -4.322 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.401 8.871 -5.616 1.00 0.00 C ATOM 752 CE1 TYR A 46 10.653 9.606 -4.123 1.00 0.00 C ATOM 753 CE2 TYR A 46 9.440 7.953 -5.415 1.00 0.00 C ATOM 754 CZ TYR A 46 10.566 8.322 -4.669 1.00 0.00 C ATOM 755 OH TYR A 46 11.589 7.416 -4.473 1.00 0.00 O ATOM 0 H TYR A 46 5.891 13.007 -6.888 1.00 0.00 H new ATOM 0 HA TYR A 46 8.765 12.526 -6.173 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.173 11.697 -4.362 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.454 10.634 -5.556 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.684 11.515 -3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.533 8.587 -6.192 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.521 9.890 -3.547 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.372 6.961 -5.836 1.00 0.00 H new ATOM 0 HH TYR A 46 11.613 7.148 -3.531 1.00 0.00 H new ATOM 765 N SER A 47 8.963 10.996 -8.186 1.00 0.00 N ATOM 766 CA SER A 47 9.056 10.293 -9.497 1.00 0.00 C ATOM 767 C SER A 47 8.462 8.886 -9.380 1.00 0.00 C ATOM 768 O SER A 47 8.351 8.335 -8.305 1.00 0.00 O ATOM 769 CB SER A 47 10.523 10.190 -9.914 1.00 0.00 C ATOM 770 OG SER A 47 11.173 9.215 -9.111 1.00 0.00 O ATOM 0 H SER A 47 9.849 11.122 -7.697 1.00 0.00 H new ATOM 0 HA SER A 47 8.498 10.856 -10.245 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.595 9.917 -10.967 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.014 11.157 -9.801 1.00 0.00 H new ATOM 0 HG SER A 47 12.113 9.146 -9.378 1.00 0.00 H new ATOM 776 N TYR A 48 8.088 8.304 -10.489 1.00 0.00 N ATOM 777 CA TYR A 48 7.504 6.930 -10.465 1.00 0.00 C ATOM 778 C TYR A 48 8.385 5.986 -11.284 1.00 0.00 C ATOM 779 O TYR A 48 8.996 6.381 -12.256 1.00 0.00 O ATOM 780 CB TYR A 48 6.096 6.959 -11.065 1.00 0.00 C ATOM 781 CG TYR A 48 5.115 7.476 -10.043 1.00 0.00 C ATOM 782 CD1 TYR A 48 5.189 8.805 -9.606 1.00 0.00 C ATOM 783 CD2 TYR A 48 4.129 6.625 -9.530 1.00 0.00 C ATOM 784 CE1 TYR A 48 4.276 9.281 -8.658 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.217 7.101 -8.581 1.00 0.00 C ATOM 786 CZ TYR A 48 3.291 8.428 -8.146 1.00 0.00 C ATOM 787 OH TYR A 48 2.390 8.895 -7.211 1.00 0.00 O ATOM 0 H TYR A 48 8.162 8.724 -11.416 1.00 0.00 H new ATOM 0 HA TYR A 48 7.452 6.579 -9.434 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.081 7.594 -11.950 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.807 5.958 -11.386 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.950 9.462 -10.000 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.072 5.600 -9.867 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.331 10.306 -8.322 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.457 6.444 -8.185 1.00 0.00 H new ATOM 0 HH TYR A 48 2.095 9.795 -7.462 1.00 0.00 H new ATOM 797 N THR A 49 8.456 4.741 -10.902 1.00 0.00 N ATOM 798 CA THR A 49 9.297 3.778 -11.666 1.00 0.00 C ATOM 799 C THR A 49 8.543 3.333 -12.921 1.00 0.00 C ATOM 800 O THR A 49 7.336 3.438 -13.003 1.00 0.00 O ATOM 801 CB THR A 49 9.603 2.554 -10.797 1.00 0.00 C ATOM 802 OG1 THR A 49 8.398 1.848 -10.533 1.00 0.00 O ATOM 803 CG2 THR A 49 10.238 2.999 -9.479 1.00 0.00 C ATOM 0 H THR A 49 7.969 4.350 -10.096 1.00 0.00 H new ATOM 0 HA THR A 49 10.232 4.261 -11.950 1.00 0.00 H new ATOM 0 HB THR A 49 10.298 1.902 -11.325 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.593 1.064 -9.979 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.453 2.124 -8.865 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.165 3.535 -9.684 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.549 3.655 -8.947 1.00 0.00 H new ATOM 811 N ASP A 50 9.247 2.834 -13.898 1.00 0.00 N ATOM 812 CA ASP A 50 8.577 2.381 -15.150 1.00 0.00 C ATOM 813 C ASP A 50 7.542 1.302 -14.820 1.00 0.00 C ATOM 814 O ASP A 50 6.545 1.159 -15.496 1.00 0.00 O ATOM 815 CB ASP A 50 9.621 1.808 -16.106 1.00 0.00 C ATOM 816 CG ASP A 50 10.544 2.930 -16.586 1.00 0.00 C ATOM 817 OD1 ASP A 50 10.211 4.082 -16.360 1.00 0.00 O ATOM 818 OD2 ASP A 50 11.569 2.618 -17.170 1.00 0.00 O ATOM 0 H ASP A 50 10.260 2.720 -13.884 1.00 0.00 H new ATOM 0 HA ASP A 50 8.078 3.229 -15.619 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.202 1.034 -15.605 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.130 1.337 -16.958 1.00 0.00 H new ATOM 823 N ALA A 51 7.781 0.530 -13.798 1.00 0.00 N ATOM 824 CA ALA A 51 6.823 -0.552 -13.434 1.00 0.00 C ATOM 825 C ALA A 51 5.392 -0.004 -13.348 1.00 0.00 C ATOM 826 O ALA A 51 4.577 -0.236 -14.218 1.00 0.00 O ATOM 827 CB ALA A 51 7.221 -1.147 -12.083 1.00 0.00 C ATOM 0 H ALA A 51 8.601 0.601 -13.196 1.00 0.00 H new ATOM 0 HA ALA A 51 6.855 -1.322 -14.205 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.522 -1.939 -11.814 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.228 -1.559 -12.149 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.197 -0.368 -11.321 1.00 0.00 H new ATOM 833 N ASN A 52 5.069 0.703 -12.295 1.00 0.00 N ATOM 834 CA ASN A 52 3.680 1.236 -12.153 1.00 0.00 C ATOM 835 C ASN A 52 3.294 2.075 -13.377 1.00 0.00 C ATOM 836 O ASN A 52 2.195 1.972 -13.881 1.00 0.00 O ATOM 837 CB ASN A 52 3.586 2.104 -10.895 1.00 0.00 C ATOM 838 CG ASN A 52 2.142 2.588 -10.715 1.00 0.00 C ATOM 839 OD1 ASN A 52 1.824 3.711 -11.053 1.00 0.00 O ATOM 840 ND2 ASN A 52 1.250 1.790 -10.189 1.00 0.00 N ATOM 0 H ASN A 52 5.704 0.934 -11.531 1.00 0.00 H new ATOM 0 HA ASN A 52 2.994 0.393 -12.073 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.901 1.533 -10.022 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.259 2.957 -10.978 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.290 2.111 -10.063 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.514 0.847 -9.904 1.00 0.00 H new ATOM 847 N ILE A 53 4.174 2.909 -13.861 1.00 0.00 N ATOM 848 CA ILE A 53 3.822 3.736 -15.042 1.00 0.00 C ATOM 849 C ILE A 53 3.488 2.818 -16.220 1.00 0.00 C ATOM 850 O ILE A 53 2.471 2.967 -16.866 1.00 0.00 O ATOM 851 CB ILE A 53 5.003 4.631 -15.405 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.377 5.497 -14.202 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.608 5.534 -16.566 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.626 6.317 -14.534 1.00 0.00 C ATOM 0 H ILE A 53 5.114 3.051 -13.491 1.00 0.00 H new ATOM 0 HA ILE A 53 2.957 4.358 -14.811 1.00 0.00 H new ATOM 0 HB ILE A 53 5.855 4.013 -15.688 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.551 6.160 -13.946 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.562 4.868 -13.331 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.448 6.176 -16.830 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.335 4.922 -17.426 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.758 6.151 -16.274 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.894 6.935 -13.677 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.451 5.644 -14.768 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.424 6.956 -15.393 1.00 0.00 H new ATOM 866 N LYS A 54 4.333 1.863 -16.494 1.00 0.00 N ATOM 867 CA LYS A 54 4.061 0.926 -17.619 1.00 0.00 C ATOM 868 C LYS A 54 2.752 0.191 -17.340 1.00 0.00 C ATOM 869 O LYS A 54 1.969 -0.071 -18.233 1.00 0.00 O ATOM 870 CB LYS A 54 5.204 -0.086 -17.732 1.00 0.00 C ATOM 871 CG LYS A 54 4.993 -0.961 -18.968 1.00 0.00 C ATOM 872 CD LYS A 54 6.102 -2.011 -19.046 1.00 0.00 C ATOM 873 CE LYS A 54 5.982 -2.784 -20.361 1.00 0.00 C ATOM 874 NZ LYS A 54 7.152 -2.474 -21.230 1.00 0.00 N ATOM 0 H LYS A 54 5.201 1.691 -15.987 1.00 0.00 H new ATOM 0 HA LYS A 54 3.983 1.481 -18.554 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.159 0.435 -17.801 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.244 -0.707 -16.837 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.019 -1.448 -18.920 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.997 -0.345 -19.867 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.078 -1.530 -18.983 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.029 -2.696 -18.201 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.937 -3.855 -20.163 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.056 -2.515 -20.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.070 -3.000 -22.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.176 -1.454 -21.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.029 -2.752 -20.744 1.00 0.00 H new ATOM 888 N LYS A 55 2.511 -0.140 -16.101 1.00 0.00 N ATOM 889 CA LYS A 55 1.255 -0.854 -15.739 1.00 0.00 C ATOM 890 C LYS A 55 0.535 -0.068 -14.644 1.00 0.00 C ATOM 891 O LYS A 55 1.007 0.032 -13.529 1.00 0.00 O ATOM 892 CB LYS A 55 1.600 -2.253 -15.220 1.00 0.00 C ATOM 893 CG LYS A 55 0.313 -3.016 -14.898 1.00 0.00 C ATOM 894 CD LYS A 55 0.665 -4.401 -14.352 1.00 0.00 C ATOM 895 CE LYS A 55 -0.613 -5.222 -14.178 1.00 0.00 C ATOM 896 NZ LYS A 55 -0.511 -6.476 -14.975 1.00 0.00 N ATOM 0 H LYS A 55 3.135 0.055 -15.319 1.00 0.00 H new ATOM 0 HA LYS A 55 0.611 -0.940 -16.614 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.179 -2.796 -15.967 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.222 -2.177 -14.328 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.277 -2.464 -14.166 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.300 -3.112 -15.794 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.346 -4.910 -15.034 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.182 -4.306 -13.397 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.765 -5.459 -13.125 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.477 -4.642 -14.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.380 -7.034 -14.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.386 -6.239 -15.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.304 -7.031 -14.646 1.00 0.00 H new ATOM 910 N ASN A 56 -0.610 0.481 -14.949 1.00 0.00 N ATOM 911 CA ASN A 56 -1.360 1.254 -13.922 1.00 0.00 C ATOM 912 C ASN A 56 -2.522 0.413 -13.403 1.00 0.00 C ATOM 913 O ASN A 56 -3.132 -0.345 -14.130 1.00 0.00 O ATOM 914 CB ASN A 56 -1.886 2.557 -14.530 1.00 0.00 C ATOM 915 CG ASN A 56 -0.811 3.640 -14.397 1.00 0.00 C ATOM 916 OD1 ASN A 56 -0.561 4.380 -15.327 1.00 0.00 O ATOM 917 ND2 ASN A 56 -0.165 3.761 -13.268 1.00 0.00 N ATOM 0 H ASN A 56 -1.057 0.427 -15.864 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.694 1.497 -13.094 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.141 2.407 -15.579 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.799 2.868 -14.022 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.552 4.479 -13.165 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.378 3.138 -12.489 1.00 0.00 H new ATOM 924 N VAL A 57 -2.815 0.531 -12.141 1.00 0.00 N ATOM 925 CA VAL A 57 -3.918 -0.269 -11.547 1.00 0.00 C ATOM 926 C VAL A 57 -4.821 0.635 -10.708 1.00 0.00 C ATOM 927 O VAL A 57 -4.378 1.607 -10.129 1.00 0.00 O ATOM 928 CB VAL A 57 -3.313 -1.346 -10.652 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.502 -0.672 -9.545 1.00 0.00 C ATOM 930 CG2 VAL A 57 -4.431 -2.186 -10.032 1.00 0.00 C ATOM 0 H VAL A 57 -2.334 1.152 -11.490 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.509 -0.726 -12.341 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.665 -1.995 -11.241 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.065 -1.433 -8.899 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.707 -0.073 -9.989 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.155 -0.028 -8.956 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.997 -2.955 -9.393 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.081 -1.544 -9.437 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.013 -2.658 -10.823 1.00 0.00 H new ATOM 940 N LEU A 58 -6.082 0.316 -10.624 1.00 0.00 N ATOM 941 CA LEU A 58 -7.006 1.152 -9.812 1.00 0.00 C ATOM 942 C LEU A 58 -6.740 0.879 -8.332 1.00 0.00 C ATOM 943 O LEU A 58 -6.709 -0.255 -7.897 1.00 0.00 O ATOM 944 CB LEU A 58 -8.455 0.786 -10.148 1.00 0.00 C ATOM 945 CG LEU A 58 -9.409 1.645 -9.315 1.00 0.00 C ATOM 946 CD1 LEU A 58 -9.238 3.115 -9.692 1.00 0.00 C ATOM 947 CD2 LEU A 58 -10.851 1.214 -9.596 1.00 0.00 C ATOM 0 H LEU A 58 -6.512 -0.487 -11.083 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.844 2.207 -10.031 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.643 0.942 -11.210 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.630 -0.271 -9.945 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.185 1.515 -8.256 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.918 3.725 -9.097 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.211 3.423 -9.498 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.463 3.248 -10.750 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.535 1.823 -9.005 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.071 1.347 -10.655 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.976 0.165 -9.328 1.00 0.00 H new ATOM 959 N TRP A 59 -6.539 1.907 -7.554 1.00 0.00 N ATOM 960 CA TRP A 59 -6.265 1.692 -6.109 1.00 0.00 C ATOM 961 C TRP A 59 -7.561 1.820 -5.307 1.00 0.00 C ATOM 962 O TRP A 59 -8.245 2.823 -5.354 1.00 0.00 O ATOM 963 CB TRP A 59 -5.247 2.725 -5.626 1.00 0.00 C ATOM 964 CG TRP A 59 -3.909 2.406 -6.213 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.320 3.082 -7.227 1.00 0.00 C ATOM 966 CD2 TRP A 59 -2.990 1.340 -5.845 1.00 0.00 C ATOM 967 NE1 TRP A 59 -2.097 2.496 -7.503 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.848 1.418 -6.677 1.00 0.00 C ATOM 969 CE3 TRP A 59 -3.036 0.320 -4.878 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.790 0.516 -6.554 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -1.974 -0.588 -4.751 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.854 -0.490 -5.587 1.00 0.00 C ATOM 0 H TRP A 59 -6.553 2.881 -7.856 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.860 0.691 -5.963 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.558 3.727 -5.922 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -5.191 2.718 -4.537 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.736 3.938 -7.737 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.458 2.821 -8.228 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.895 0.235 -4.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.071 0.595 -7.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.020 -1.367 -4.004 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.040 -1.192 -5.484 1.00 0.00 H new ATOM 983 N ASP A 60 -7.888 0.797 -4.567 1.00 0.00 N ATOM 984 CA ASP A 60 -9.128 0.814 -3.741 1.00 0.00 C ATOM 985 C ASP A 60 -9.010 -0.265 -2.659 1.00 0.00 C ATOM 986 O ASP A 60 -7.980 -0.887 -2.506 1.00 0.00 O ATOM 987 CB ASP A 60 -10.344 0.536 -4.629 1.00 0.00 C ATOM 988 CG ASP A 60 -10.152 -0.795 -5.352 1.00 0.00 C ATOM 989 OD1 ASP A 60 -9.146 -1.436 -5.105 1.00 0.00 O ATOM 990 OD2 ASP A 60 -11.009 -1.146 -6.147 1.00 0.00 O ATOM 0 H ASP A 60 -7.341 -0.061 -4.499 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.253 1.791 -3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.250 0.506 -4.024 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.470 1.341 -5.353 1.00 0.00 H new ATOM 995 N GLU A 61 -10.045 -0.487 -1.896 1.00 0.00 N ATOM 996 CA GLU A 61 -9.962 -1.518 -0.820 1.00 0.00 C ATOM 997 C GLU A 61 -9.669 -2.895 -1.427 1.00 0.00 C ATOM 998 O GLU A 61 -8.869 -3.650 -0.912 1.00 0.00 O ATOM 999 CB GLU A 61 -11.297 -1.579 -0.074 1.00 0.00 C ATOM 1000 CG GLU A 61 -11.573 -0.236 0.605 1.00 0.00 C ATOM 1001 CD GLU A 61 -12.885 -0.325 1.386 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -13.560 -1.333 1.260 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -13.195 0.618 2.095 1.00 0.00 O ATOM 0 H GLU A 61 -10.940 -0.003 -1.969 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.159 -1.249 -0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.102 -1.818 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.272 -2.375 0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.753 0.020 1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.634 0.556 -0.141 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.313 -3.231 -2.510 1.00 0.00 N ATOM 1011 CA ASN A 62 -10.073 -4.563 -3.138 1.00 0.00 C ATOM 1012 C ASN A 62 -8.685 -4.610 -3.783 1.00 0.00 C ATOM 1013 O ASN A 62 -7.895 -5.493 -3.521 1.00 0.00 O ATOM 1014 CB ASN A 62 -11.130 -4.807 -4.216 1.00 0.00 C ATOM 1015 CG ASN A 62 -10.929 -6.196 -4.821 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -11.347 -7.186 -4.254 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -10.293 -6.310 -5.955 1.00 0.00 N ATOM 0 H ASN A 62 -10.995 -2.642 -2.988 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.133 -5.331 -2.367 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.128 -4.727 -3.786 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.055 -4.046 -4.993 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.146 -7.231 -6.367 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.943 -5.478 -6.429 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.397 -3.671 -4.637 1.00 0.00 N ATOM 1025 CA ASN A 63 -7.074 -3.656 -5.325 1.00 0.00 C ATOM 1026 C ASN A 63 -5.939 -3.578 -4.303 1.00 0.00 C ATOM 1027 O ASN A 63 -4.904 -4.194 -4.467 1.00 0.00 O ATOM 1028 CB ASN A 63 -7.009 -2.448 -6.259 1.00 0.00 C ATOM 1029 CG ASN A 63 -5.794 -2.577 -7.178 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -5.717 -3.488 -7.979 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -4.834 -1.696 -7.097 1.00 0.00 N ATOM 0 H ASN A 63 -9.024 -2.907 -4.891 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.961 -4.576 -5.899 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.921 -2.384 -6.852 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.942 -1.529 -5.677 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.019 -1.772 -7.706 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.899 -0.932 -6.425 1.00 0.00 H new ATOM 1038 N MET A 64 -6.113 -2.822 -3.256 1.00 0.00 N ATOM 1039 CA MET A 64 -5.028 -2.711 -2.241 1.00 0.00 C ATOM 1040 C MET A 64 -4.707 -4.095 -1.678 1.00 0.00 C ATOM 1041 O MET A 64 -3.561 -4.441 -1.470 1.00 0.00 O ATOM 1042 CB MET A 64 -5.484 -1.795 -1.104 1.00 0.00 C ATOM 1043 CG MET A 64 -5.536 -0.354 -1.603 1.00 0.00 C ATOM 1044 SD MET A 64 -3.933 0.437 -1.323 1.00 0.00 S ATOM 1045 CE MET A 64 -4.457 2.125 -1.692 1.00 0.00 C ATOM 0 H MET A 64 -6.954 -2.279 -3.059 1.00 0.00 H new ATOM 0 HA MET A 64 -4.137 -2.295 -2.711 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.466 -2.103 -0.746 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.798 -1.875 -0.261 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.783 -0.334 -2.664 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.321 0.195 -1.082 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.677 2.632 -2.260 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.375 2.101 -2.279 1.00 0.00 H new ATOM 0 HE3 MET A 64 -4.636 2.662 -0.761 1.00 0.00 H new ATOM 1055 N SER A 65 -5.709 -4.890 -1.431 1.00 0.00 N ATOM 1056 CA SER A 65 -5.453 -6.251 -0.885 1.00 0.00 C ATOM 1057 C SER A 65 -4.717 -7.093 -1.930 1.00 0.00 C ATOM 1058 O SER A 65 -3.882 -7.914 -1.606 1.00 0.00 O ATOM 1059 CB SER A 65 -6.783 -6.920 -0.535 1.00 0.00 C ATOM 1060 OG SER A 65 -7.502 -7.189 -1.732 1.00 0.00 O ATOM 0 H SER A 65 -6.691 -4.658 -1.583 1.00 0.00 H new ATOM 0 HA SER A 65 -4.840 -6.171 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.605 -7.846 0.012 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.369 -6.272 0.117 1.00 0.00 H new ATOM 0 HG SER A 65 -7.930 -6.366 -2.049 1.00 0.00 H new ATOM 1066 N GLU A 66 -5.018 -6.894 -3.185 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.335 -7.679 -4.250 1.00 0.00 C ATOM 1068 C GLU A 66 -2.856 -7.296 -4.297 1.00 0.00 C ATOM 1069 O GLU A 66 -1.998 -8.118 -4.550 1.00 0.00 O ATOM 1070 CB GLU A 66 -4.988 -7.369 -5.598 1.00 0.00 C ATOM 1071 CG GLU A 66 -6.434 -7.867 -5.594 1.00 0.00 C ATOM 1072 CD GLU A 66 -7.064 -7.616 -6.966 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -6.437 -6.944 -7.769 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -8.160 -8.101 -7.190 1.00 0.00 O ATOM 0 H GLU A 66 -5.708 -6.221 -3.518 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.424 -8.744 -4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.963 -6.296 -5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.430 -7.848 -6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.463 -8.931 -5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.005 -7.353 -4.820 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.553 -6.050 -4.060 1.00 0.00 N ATOM 1082 CA HIS A 67 -1.131 -5.606 -4.094 1.00 0.00 C ATOM 1083 C HIS A 67 -0.323 -6.399 -3.068 1.00 0.00 C ATOM 1084 O HIS A 67 0.745 -6.900 -3.355 1.00 0.00 O ATOM 1085 CB HIS A 67 -1.069 -4.115 -3.758 1.00 0.00 C ATOM 1086 CG HIS A 67 0.348 -3.622 -3.870 1.00 0.00 C ATOM 1087 ND1 HIS A 67 1.015 -3.560 -5.082 1.00 0.00 N ATOM 1088 CD2 HIS A 67 1.233 -3.157 -2.932 1.00 0.00 C ATOM 1089 CE1 HIS A 67 2.248 -3.075 -4.847 1.00 0.00 C ATOM 1090 NE2 HIS A 67 2.430 -2.815 -3.552 1.00 0.00 N ATOM 0 H HIS A 67 -3.230 -5.318 -3.844 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.713 -5.777 -5.086 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.713 -3.554 -4.435 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.443 -3.945 -2.748 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.639 -3.833 -5.990 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.032 -3.070 -1.875 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.995 -2.916 -5.610 1.00 0.00 H new ATOM 1099 N LEU A 68 -0.829 -6.516 -1.873 1.00 0.00 N ATOM 1100 CA LEU A 68 -0.103 -7.275 -0.819 1.00 0.00 C ATOM 1101 C LEU A 68 -0.088 -8.767 -1.166 1.00 0.00 C ATOM 1102 O LEU A 68 0.829 -9.483 -0.825 1.00 0.00 O ATOM 1103 CB LEU A 68 -0.812 -7.070 0.521 1.00 0.00 C ATOM 1104 CG LEU A 68 -0.839 -5.579 0.865 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -1.571 -5.369 2.191 1.00 0.00 C ATOM 1106 CD2 LEU A 68 0.592 -5.059 0.992 1.00 0.00 C ATOM 0 H LEU A 68 -1.720 -6.116 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 68 0.924 -6.915 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.829 -7.460 0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.297 -7.625 1.305 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.358 -5.037 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.588 -4.306 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.593 -5.738 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.054 -5.913 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.573 -3.997 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.109 -5.604 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.117 -5.204 0.048 1.00 0.00 H new ATOM 1118 N THR A 69 -1.106 -9.245 -1.825 1.00 0.00 N ATOM 1119 CA THR A 69 -1.161 -10.695 -2.172 1.00 0.00 C ATOM 1120 C THR A 69 0.052 -11.102 -3.019 1.00 0.00 C ATOM 1121 O THR A 69 0.584 -12.183 -2.866 1.00 0.00 O ATOM 1122 CB THR A 69 -2.443 -10.984 -2.956 1.00 0.00 C ATOM 1123 OG1 THR A 69 -3.561 -10.488 -2.230 1.00 0.00 O ATOM 1124 CG2 THR A 69 -2.591 -12.493 -3.152 1.00 0.00 C ATOM 0 H THR A 69 -1.905 -8.694 -2.140 1.00 0.00 H new ATOM 0 HA THR A 69 -1.149 -11.271 -1.247 1.00 0.00 H new ATOM 0 HB THR A 69 -2.394 -10.495 -3.929 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.610 -9.514 -2.330 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.504 -12.700 -3.710 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.733 -12.874 -3.706 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.642 -12.983 -2.180 1.00 0.00 H new ATOM 1132 N ASN A 70 0.491 -10.260 -3.913 1.00 0.00 N ATOM 1133 CA ASN A 70 1.661 -10.628 -4.761 1.00 0.00 C ATOM 1134 C ASN A 70 2.255 -9.375 -5.409 1.00 0.00 C ATOM 1135 O ASN A 70 2.209 -9.203 -6.610 1.00 0.00 O ATOM 1136 CB ASN A 70 1.211 -11.600 -5.853 1.00 0.00 C ATOM 1137 CG ASN A 70 1.205 -13.026 -5.296 1.00 0.00 C ATOM 1138 OD1 ASN A 70 0.156 -13.592 -5.058 1.00 0.00 O ATOM 1139 ND2 ASN A 70 2.339 -13.633 -5.079 1.00 0.00 N ATOM 0 H ASN A 70 0.093 -9.338 -4.093 1.00 0.00 H new ATOM 0 HA ASN A 70 2.420 -11.100 -4.137 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.215 -11.332 -6.206 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.881 -11.536 -6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.346 -14.584 -4.709 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.219 -13.157 -5.279 1.00 0.00 H new ATOM 1146 N PRO A 71 2.816 -8.516 -4.608 1.00 0.00 N ATOM 1147 CA PRO A 71 3.446 -7.252 -5.086 1.00 0.00 C ATOM 1148 C PRO A 71 4.453 -7.492 -6.221 1.00 0.00 C ATOM 1149 O PRO A 71 4.806 -6.585 -6.949 1.00 0.00 O ATOM 1150 CB PRO A 71 4.175 -6.710 -3.854 1.00 0.00 C ATOM 1151 CG PRO A 71 3.530 -7.356 -2.671 1.00 0.00 C ATOM 1152 CD PRO A 71 2.895 -8.661 -3.151 1.00 0.00 C ATOM 0 HA PRO A 71 2.700 -6.569 -5.492 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.238 -6.947 -3.895 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.092 -5.625 -3.798 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.267 -7.552 -1.892 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.776 -6.699 -2.239 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.499 -9.523 -2.870 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.908 -8.807 -2.712 1.00 0.00 H new ATOM 1160 N ALA A 72 4.927 -8.699 -6.366 1.00 0.00 N ATOM 1161 CA ALA A 72 5.920 -8.989 -7.443 1.00 0.00 C ATOM 1162 C ALA A 72 5.261 -8.876 -8.822 1.00 0.00 C ATOM 1163 O ALA A 72 5.388 -7.877 -9.500 1.00 0.00 O ATOM 1164 CB ALA A 72 6.468 -10.406 -7.259 1.00 0.00 C ATOM 0 H ALA A 72 4.671 -9.498 -5.786 1.00 0.00 H new ATOM 0 HA ALA A 72 6.732 -8.264 -7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.193 -10.620 -8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.953 -10.485 -6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.649 -11.123 -7.316 1.00 0.00 H new ATOM 1170 N LYS A 73 4.562 -9.897 -9.245 1.00 0.00 N ATOM 1171 CA LYS A 73 3.906 -9.849 -10.584 1.00 0.00 C ATOM 1172 C LYS A 73 2.980 -8.635 -10.657 1.00 0.00 C ATOM 1173 O LYS A 73 2.823 -8.020 -11.694 1.00 0.00 O ATOM 1174 CB LYS A 73 3.090 -11.126 -10.797 1.00 0.00 C ATOM 1175 CG LYS A 73 2.533 -11.146 -12.221 1.00 0.00 C ATOM 1176 CD LYS A 73 1.666 -12.391 -12.413 1.00 0.00 C ATOM 1177 CE LYS A 73 1.247 -12.500 -13.881 1.00 0.00 C ATOM 1178 NZ LYS A 73 2.069 -13.543 -14.556 1.00 0.00 N ATOM 0 H LYS A 73 4.418 -10.760 -8.722 1.00 0.00 H new ATOM 0 HA LYS A 73 4.669 -9.770 -11.359 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.716 -12.002 -10.628 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.274 -11.173 -10.076 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.944 -10.248 -12.405 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.350 -11.144 -12.942 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.219 -13.282 -12.115 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.784 -12.335 -11.775 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.189 -12.754 -13.950 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.378 -11.540 -14.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.785 -13.617 -15.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.074 -13.282 -14.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.923 -14.459 -14.085 1.00 0.00 H new ATOM 1192 N TYR A 74 2.368 -8.286 -9.563 1.00 0.00 N ATOM 1193 CA TYR A 74 1.450 -7.113 -9.555 1.00 0.00 C ATOM 1194 C TYR A 74 2.195 -5.875 -10.071 1.00 0.00 C ATOM 1195 O TYR A 74 1.741 -5.198 -10.971 1.00 0.00 O ATOM 1196 CB TYR A 74 0.993 -6.889 -8.116 1.00 0.00 C ATOM 1197 CG TYR A 74 0.035 -5.731 -8.029 1.00 0.00 C ATOM 1198 CD1 TYR A 74 -1.342 -5.940 -8.173 1.00 0.00 C ATOM 1199 CD2 TYR A 74 0.523 -4.449 -7.762 1.00 0.00 C ATOM 1200 CE1 TYR A 74 -2.227 -4.861 -8.055 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -0.360 -3.377 -7.636 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.733 -3.580 -7.783 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.593 -2.515 -7.645 1.00 0.00 O ATOM 0 H TYR A 74 2.464 -8.765 -8.668 1.00 0.00 H new ATOM 0 HA TYR A 74 0.589 -7.291 -10.200 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.513 -7.792 -7.738 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.858 -6.698 -7.481 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.721 -6.931 -8.375 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.585 -4.288 -7.653 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.289 -5.017 -8.174 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.019 -2.388 -7.424 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.212 -1.866 -7.017 1.00 0.00 H new ATOM 1213 N ILE A 75 3.348 -5.592 -9.524 1.00 0.00 N ATOM 1214 CA ILE A 75 4.139 -4.415 -9.996 1.00 0.00 C ATOM 1215 C ILE A 75 5.631 -4.735 -9.852 1.00 0.00 C ATOM 1216 O ILE A 75 6.276 -4.323 -8.910 1.00 0.00 O ATOM 1217 CB ILE A 75 3.780 -3.168 -9.167 1.00 0.00 C ATOM 1218 CG1 ILE A 75 2.478 -2.560 -9.703 1.00 0.00 C ATOM 1219 CG2 ILE A 75 4.905 -2.124 -9.270 1.00 0.00 C ATOM 1220 CD1 ILE A 75 2.046 -1.389 -8.817 1.00 0.00 C ATOM 0 H ILE A 75 3.778 -6.126 -8.769 1.00 0.00 H new ATOM 0 HA ILE A 75 3.906 -4.210 -11.041 1.00 0.00 H new ATOM 0 HB ILE A 75 3.654 -3.458 -8.124 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.621 -2.218 -10.728 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.695 -3.318 -9.726 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.642 -1.246 -8.680 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.833 -2.551 -8.890 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.038 -1.834 -10.312 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.121 -0.962 -9.204 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.884 -1.743 -7.799 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.825 -0.626 -8.816 1.00 0.00 H new ATOM 1232 N PRO A 76 6.172 -5.470 -10.784 1.00 0.00 N ATOM 1233 CA PRO A 76 7.605 -5.859 -10.775 1.00 0.00 C ATOM 1234 C PRO A 76 8.505 -4.772 -11.371 1.00 0.00 C ATOM 1235 O PRO A 76 8.104 -4.034 -12.248 1.00 0.00 O ATOM 1236 CB PRO A 76 7.633 -7.111 -11.645 1.00 0.00 C ATOM 1237 CG PRO A 76 6.499 -6.952 -12.608 1.00 0.00 C ATOM 1238 CD PRO A 76 5.472 -6.017 -11.954 1.00 0.00 C ATOM 0 HA PRO A 76 7.981 -6.017 -9.764 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.584 -7.203 -12.170 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.513 -8.011 -11.042 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.852 -6.535 -13.551 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.049 -7.919 -12.835 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.162 -5.227 -12.637 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.571 -6.557 -11.662 1.00 0.00 H new ATOM 1246 N GLY A 77 9.723 -4.672 -10.911 1.00 0.00 N ATOM 1247 CA GLY A 77 10.645 -3.640 -11.463 1.00 0.00 C ATOM 1248 C GLY A 77 10.713 -2.430 -10.528 1.00 0.00 C ATOM 1249 O GLY A 77 11.412 -1.473 -10.799 1.00 0.00 O ATOM 0 H GLY A 77 10.119 -5.260 -10.177 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.641 -4.064 -11.592 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.302 -3.327 -12.449 1.00 0.00 H new ATOM 1253 N THR A 78 10.006 -2.457 -9.428 1.00 0.00 N ATOM 1254 CA THR A 78 10.054 -1.300 -8.489 1.00 0.00 C ATOM 1255 C THR A 78 10.989 -1.629 -7.322 1.00 0.00 C ATOM 1256 O THR A 78 11.457 -2.742 -7.184 1.00 0.00 O ATOM 1257 CB THR A 78 8.647 -0.986 -7.966 1.00 0.00 C ATOM 1258 OG1 THR A 78 8.709 0.130 -7.089 1.00 0.00 O ATOM 1259 CG2 THR A 78 8.080 -2.192 -7.219 1.00 0.00 C ATOM 0 H THR A 78 9.401 -3.226 -9.141 1.00 0.00 H new ATOM 0 HA THR A 78 10.432 -0.424 -9.016 1.00 0.00 H new ATOM 0 HB THR A 78 7.996 -0.756 -8.810 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.811 0.334 -6.755 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.081 -1.956 -6.853 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.027 -3.046 -7.894 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.727 -2.435 -6.376 1.00 0.00 H new ATOM 1267 N LYS A 79 11.285 -0.662 -6.496 1.00 0.00 N ATOM 1268 CA LYS A 79 12.213 -0.906 -5.353 1.00 0.00 C ATOM 1269 C LYS A 79 11.450 -1.485 -4.157 1.00 0.00 C ATOM 1270 O LYS A 79 11.981 -1.591 -3.070 1.00 0.00 O ATOM 1271 CB LYS A 79 12.857 0.419 -4.941 1.00 0.00 C ATOM 1272 CG LYS A 79 13.602 1.018 -6.136 1.00 0.00 C ATOM 1273 CD LYS A 79 14.340 2.284 -5.697 1.00 0.00 C ATOM 1274 CE LYS A 79 13.322 3.340 -5.255 1.00 0.00 C ATOM 1275 NZ LYS A 79 13.233 3.351 -3.768 1.00 0.00 N ATOM 0 H LYS A 79 10.923 0.289 -6.563 1.00 0.00 H new ATOM 0 HA LYS A 79 12.977 -1.619 -5.664 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.093 1.113 -4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.547 0.258 -4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.310 0.293 -6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.899 1.253 -6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.022 2.055 -4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.946 2.668 -6.518 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.620 4.323 -5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.345 3.122 -5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.055 4.321 -3.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.454 2.733 -3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.127 3.006 -3.364 1.00 0.00 H new ATOM 1289 N MET A 80 10.212 -1.853 -4.336 1.00 0.00 N ATOM 1290 CA MET A 80 9.440 -2.411 -3.189 1.00 0.00 C ATOM 1291 C MET A 80 9.914 -3.832 -2.881 1.00 0.00 C ATOM 1292 O MET A 80 9.828 -4.722 -3.703 1.00 0.00 O ATOM 1293 CB MET A 80 7.948 -2.437 -3.530 1.00 0.00 C ATOM 1294 CG MET A 80 7.456 -1.007 -3.751 1.00 0.00 C ATOM 1295 SD MET A 80 5.860 -0.776 -2.931 1.00 0.00 S ATOM 1296 CE MET A 80 4.813 -1.174 -4.352 1.00 0.00 C ATOM 0 H MET A 80 9.704 -1.793 -5.219 1.00 0.00 H new ATOM 0 HA MET A 80 9.602 -1.779 -2.316 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.778 -3.035 -4.425 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.387 -2.906 -2.722 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.184 -0.297 -3.358 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.360 -0.806 -4.818 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.797 -0.826 -4.164 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.206 -0.683 -5.242 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.804 -2.253 -4.507 1.00 0.00 H new ATOM 1306 N ALA A 81 10.403 -4.048 -1.690 1.00 0.00 N ATOM 1307 CA ALA A 81 10.876 -5.407 -1.303 1.00 0.00 C ATOM 1308 C ALA A 81 9.884 -6.005 -0.307 1.00 0.00 C ATOM 1309 O ALA A 81 10.229 -6.826 0.520 1.00 0.00 O ATOM 1310 CB ALA A 81 12.253 -5.301 -0.649 1.00 0.00 C ATOM 0 H ALA A 81 10.495 -3.337 -0.965 1.00 0.00 H new ATOM 0 HA ALA A 81 10.947 -6.042 -2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.599 -6.295 -0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.957 -4.859 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.186 -4.673 0.240 1.00 0.00 H new ATOM 1316 N PHE A 82 8.653 -5.584 -0.378 1.00 0.00 N ATOM 1317 CA PHE A 82 7.621 -6.104 0.561 1.00 0.00 C ATOM 1318 C PHE A 82 7.198 -7.509 0.128 1.00 0.00 C ATOM 1319 O PHE A 82 6.932 -7.759 -1.030 1.00 0.00 O ATOM 1320 CB PHE A 82 6.410 -5.166 0.523 1.00 0.00 C ATOM 1321 CG PHE A 82 5.408 -5.571 1.574 1.00 0.00 C ATOM 1322 CD1 PHE A 82 5.504 -5.050 2.870 1.00 0.00 C ATOM 1323 CD2 PHE A 82 4.378 -6.458 1.250 1.00 0.00 C ATOM 1324 CE1 PHE A 82 4.567 -5.420 3.843 1.00 0.00 C ATOM 1325 CE2 PHE A 82 3.439 -6.827 2.221 1.00 0.00 C ATOM 1326 CZ PHE A 82 3.534 -6.308 3.517 1.00 0.00 C ATOM 0 H PHE A 82 8.315 -4.897 -1.051 1.00 0.00 H new ATOM 0 HA PHE A 82 8.024 -6.150 1.573 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.731 -4.138 0.692 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.947 -5.197 -0.463 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.300 -4.364 3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.306 -6.859 0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.641 -5.021 4.844 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.642 -7.511 1.970 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.810 -6.592 4.267 1.00 0.00 H new ATOM 1336 N GLY A 83 7.136 -8.433 1.052 1.00 0.00 N ATOM 1337 CA GLY A 83 6.734 -9.824 0.690 1.00 0.00 C ATOM 1338 C GLY A 83 5.209 -9.933 0.685 1.00 0.00 C ATOM 1339 O GLY A 83 4.509 -9.001 1.026 1.00 0.00 O ATOM 0 H GLY A 83 7.346 -8.284 2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.130 -10.084 -0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.157 -10.532 1.402 1.00 0.00 H new ATOM 1343 N GLY A 84 4.685 -11.065 0.301 1.00 0.00 N ATOM 1344 CA GLY A 84 3.203 -11.226 0.275 1.00 0.00 C ATOM 1345 C GLY A 84 2.723 -11.819 1.601 1.00 0.00 C ATOM 1346 O GLY A 84 3.405 -12.612 2.222 1.00 0.00 O ATOM 0 H GLY A 84 5.217 -11.883 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.726 -10.261 0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.913 -11.876 -0.551 1.00 0.00 H new ATOM 1350 N LEU A 85 1.549 -11.447 2.038 1.00 0.00 N ATOM 1351 CA LEU A 85 1.023 -11.994 3.321 1.00 0.00 C ATOM 1352 C LEU A 85 0.037 -13.125 3.021 1.00 0.00 C ATOM 1353 O LEU A 85 -0.810 -13.008 2.157 1.00 0.00 O ATOM 1354 CB LEU A 85 0.302 -10.885 4.091 1.00 0.00 C ATOM 1355 CG LEU A 85 1.242 -9.694 4.273 1.00 0.00 C ATOM 1356 CD1 LEU A 85 0.555 -8.631 5.131 1.00 0.00 C ATOM 1357 CD2 LEU A 85 2.524 -10.157 4.969 1.00 0.00 C ATOM 0 H LEU A 85 0.933 -10.788 1.562 1.00 0.00 H new ATOM 0 HA LEU A 85 1.849 -12.376 3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.593 -10.576 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.024 -11.256 5.063 1.00 0.00 H new ATOM 0 HG LEU A 85 1.489 -9.274 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.224 -7.781 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.359 -8.301 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.310 -9.053 6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.195 -9.308 5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.277 -10.577 5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.014 -10.917 4.360 1.00 0.00 H new ATOM 1369 N LYS A 86 0.141 -14.220 3.722 1.00 0.00 N ATOM 1370 CA LYS A 86 -0.793 -15.353 3.469 1.00 0.00 C ATOM 1371 C LYS A 86 -2.012 -15.242 4.390 1.00 0.00 C ATOM 1372 O LYS A 86 -2.939 -16.020 4.298 1.00 0.00 O ATOM 1373 CB LYS A 86 -0.071 -16.676 3.737 1.00 0.00 C ATOM 1374 CG LYS A 86 1.124 -16.808 2.792 1.00 0.00 C ATOM 1375 CD LYS A 86 1.708 -18.219 2.897 1.00 0.00 C ATOM 1376 CE LYS A 86 2.254 -18.442 4.308 1.00 0.00 C ATOM 1377 NZ LYS A 86 1.195 -19.052 5.161 1.00 0.00 N ATOM 0 H LYS A 86 0.830 -14.379 4.457 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.125 -15.319 2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.266 -16.715 4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.756 -17.512 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.814 -16.607 1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.884 -16.069 3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.940 -18.959 2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.503 -18.350 2.163 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.127 -19.093 4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.580 -17.495 4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.992 -18.424 5.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.330 -19.185 4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.522 -19.973 5.515 1.00 0.00 H new ATOM 1391 N LYS A 87 -2.021 -14.284 5.279 1.00 0.00 N ATOM 1392 CA LYS A 87 -3.185 -14.138 6.198 1.00 0.00 C ATOM 1393 C LYS A 87 -4.099 -13.015 5.707 1.00 0.00 C ATOM 1394 O LYS A 87 -3.667 -11.906 5.468 1.00 0.00 O ATOM 1395 CB LYS A 87 -2.696 -13.811 7.607 1.00 0.00 C ATOM 1396 CG LYS A 87 -1.907 -14.998 8.163 1.00 0.00 C ATOM 1397 CD LYS A 87 -1.583 -14.741 9.631 1.00 0.00 C ATOM 1398 CE LYS A 87 -0.687 -15.863 10.163 1.00 0.00 C ATOM 1399 NZ LYS A 87 -1.397 -16.593 11.250 1.00 0.00 N ATOM 0 H LYS A 87 -1.276 -13.600 5.407 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.740 -15.076 6.215 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.068 -12.920 7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.544 -13.589 8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.487 -15.915 8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.988 -15.137 7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.082 -13.779 9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.503 -14.689 10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.429 -16.550 9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.248 -15.448 10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.789 -17.355 11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.621 -15.933 12.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.278 -17.001 10.876 1.00 0.00 H new ATOM 1413 N GLU A 88 -5.361 -13.301 5.560 1.00 0.00 N ATOM 1414 CA GLU A 88 -6.314 -12.258 5.087 1.00 0.00 C ATOM 1415 C GLU A 88 -6.662 -11.302 6.234 1.00 0.00 C ATOM 1416 O GLU A 88 -6.814 -10.113 6.038 1.00 0.00 O ATOM 1417 CB GLU A 88 -7.593 -12.930 4.584 1.00 0.00 C ATOM 1418 CG GLU A 88 -7.273 -13.785 3.356 1.00 0.00 C ATOM 1419 CD GLU A 88 -8.562 -14.404 2.814 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -9.577 -14.292 3.482 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -8.512 -14.980 1.740 1.00 0.00 O ATOM 0 H GLU A 88 -5.776 -14.214 5.747 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.850 -11.692 4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.023 -13.551 5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.337 -12.175 4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.800 -13.174 2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.564 -14.569 3.621 1.00 0.00 H new ATOM 1428 N LYS A 89 -6.806 -11.816 7.427 1.00 0.00 N ATOM 1429 CA LYS A 89 -7.163 -10.938 8.579 1.00 0.00 C ATOM 1430 C LYS A 89 -6.085 -9.871 8.786 1.00 0.00 C ATOM 1431 O LYS A 89 -6.379 -8.700 8.920 1.00 0.00 O ATOM 1432 CB LYS A 89 -7.283 -11.789 9.845 1.00 0.00 C ATOM 1433 CG LYS A 89 -8.432 -12.784 9.688 1.00 0.00 C ATOM 1434 CD LYS A 89 -8.627 -13.552 10.997 1.00 0.00 C ATOM 1435 CE LYS A 89 -9.692 -14.631 10.804 1.00 0.00 C ATOM 1436 NZ LYS A 89 -9.031 -15.951 10.594 1.00 0.00 N ATOM 0 H LYS A 89 -6.692 -12.804 7.653 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.113 -10.446 8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.350 -12.322 10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.458 -11.149 10.710 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.349 -12.258 9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.217 -13.478 8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.686 -14.007 11.307 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.927 -12.868 11.791 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.344 -14.674 11.677 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.321 -14.387 9.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.756 -16.685 10.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.427 -15.906 9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.449 -16.184 11.424 1.00 0.00 H new ATOM 1450 N ASP A 90 -4.842 -10.263 8.818 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.755 -9.268 9.021 1.00 0.00 C ATOM 1452 C ASP A 90 -3.713 -8.302 7.836 1.00 0.00 C ATOM 1453 O ASP A 90 -3.512 -7.114 7.995 1.00 0.00 O ATOM 1454 CB ASP A 90 -2.418 -10.002 9.130 1.00 0.00 C ATOM 1455 CG ASP A 90 -2.398 -10.841 10.409 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -3.271 -10.641 11.238 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -1.513 -11.669 10.536 1.00 0.00 O ATOM 0 H ASP A 90 -4.533 -11.229 8.712 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.941 -8.705 9.935 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.271 -10.642 8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.597 -9.285 9.140 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.894 -8.807 6.649 1.00 0.00 N ATOM 1463 CA ARG A 91 -3.856 -7.930 5.446 1.00 0.00 C ATOM 1464 C ARG A 91 -4.941 -6.853 5.545 1.00 0.00 C ATOM 1465 O ARG A 91 -4.720 -5.705 5.215 1.00 0.00 O ATOM 1466 CB ARG A 91 -4.100 -8.785 4.200 1.00 0.00 C ATOM 1467 CG ARG A 91 -3.897 -7.938 2.944 1.00 0.00 C ATOM 1468 CD ARG A 91 -4.255 -8.768 1.709 1.00 0.00 C ATOM 1469 NE ARG A 91 -3.378 -9.972 1.650 1.00 0.00 N ATOM 1470 CZ ARG A 91 -3.777 -11.037 1.009 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -4.941 -11.047 0.420 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -3.011 -12.092 0.959 1.00 0.00 N ATOM 0 H ARG A 91 -4.067 -9.794 6.459 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.882 -7.445 5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.417 -9.635 4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.112 -9.189 4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.521 -7.045 2.989 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.862 -7.601 2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.302 -9.069 1.750 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.131 -8.169 0.807 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.468 -9.964 2.110 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.540 -10.222 0.460 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.252 -11.879 -0.081 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.101 -12.084 1.420 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.322 -12.925 0.458 1.00 0.00 H new ATOM 1486 N ASN A 92 -6.116 -7.214 5.991 1.00 0.00 N ATOM 1487 CA ASN A 92 -7.210 -6.210 6.100 1.00 0.00 C ATOM 1488 C ASN A 92 -6.811 -5.093 7.066 1.00 0.00 C ATOM 1489 O ASN A 92 -7.092 -3.934 6.836 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.473 -6.898 6.617 1.00 0.00 C ATOM 1491 CG ASN A 92 -8.985 -7.889 5.570 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -8.571 -7.852 4.428 1.00 0.00 O ATOM 1493 ND2 ASN A 92 -9.875 -8.778 5.914 1.00 0.00 N ATOM 0 H ASN A 92 -6.363 -8.159 6.283 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.396 -5.778 5.117 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.259 -7.418 7.551 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.240 -6.155 6.835 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.224 -9.443 5.224 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.222 -8.808 6.873 1.00 0.00 H new ATOM 1500 N ASP A 93 -6.165 -5.428 8.150 1.00 0.00 N ATOM 1501 CA ASP A 93 -5.764 -4.382 9.126 1.00 0.00 C ATOM 1502 C ASP A 93 -4.800 -3.395 8.465 1.00 0.00 C ATOM 1503 O ASP A 93 -4.873 -2.201 8.680 1.00 0.00 O ATOM 1504 CB ASP A 93 -5.077 -5.046 10.318 1.00 0.00 C ATOM 1505 CG ASP A 93 -6.092 -5.893 11.088 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -7.274 -5.747 10.825 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -5.670 -6.672 11.926 1.00 0.00 O ATOM 0 H ASP A 93 -5.899 -6.381 8.399 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.649 -3.843 9.463 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.253 -5.671 9.974 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.649 -4.287 10.973 1.00 0.00 H new ATOM 1512 N LEU A 94 -3.887 -3.883 7.671 1.00 0.00 N ATOM 1513 CA LEU A 94 -2.912 -2.971 7.011 1.00 0.00 C ATOM 1514 C LEU A 94 -3.646 -1.976 6.107 1.00 0.00 C ATOM 1515 O LEU A 94 -3.348 -0.797 6.094 1.00 0.00 O ATOM 1516 CB LEU A 94 -1.939 -3.799 6.169 1.00 0.00 C ATOM 1517 CG LEU A 94 -0.891 -2.876 5.545 1.00 0.00 C ATOM 1518 CD1 LEU A 94 -0.100 -2.179 6.649 1.00 0.00 C ATOM 1519 CD2 LEU A 94 0.064 -3.704 4.686 1.00 0.00 C ATOM 0 H LEU A 94 -3.774 -4.873 7.451 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.366 -2.418 7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.453 -4.551 6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.480 -4.332 5.388 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.388 -2.128 4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.646 -1.522 6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.778 -1.591 7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.398 -2.926 7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.812 -3.049 4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.559 -4.450 5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.497 -4.204 3.897 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.601 -2.438 5.349 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.344 -1.516 4.446 1.00 0.00 C ATOM 1533 C ILE A 95 -6.120 -0.491 5.276 1.00 0.00 C ATOM 1534 O ILE A 95 -6.152 0.682 4.959 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.321 -2.319 3.592 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.548 -3.353 2.769 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -7.072 -1.377 2.649 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.534 -4.241 2.008 1.00 0.00 C ATOM 0 H ILE A 95 -4.899 -3.413 5.316 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.635 -0.996 3.802 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.035 -2.828 4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.880 -2.851 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.924 -3.962 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.769 -1.952 2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.623 -0.640 3.234 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.359 -0.867 2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.983 -4.977 1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.184 -4.754 2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.138 -3.626 1.342 1.00 0.00 H new ATOM 1550 N THR A 96 -6.752 -0.927 6.330 1.00 0.00 N ATOM 1551 CA THR A 96 -7.536 0.017 7.174 1.00 0.00 C ATOM 1552 C THR A 96 -6.613 1.077 7.782 1.00 0.00 C ATOM 1553 O THR A 96 -6.982 2.228 7.915 1.00 0.00 O ATOM 1554 CB THR A 96 -8.225 -0.764 8.297 1.00 0.00 C ATOM 1555 OG1 THR A 96 -8.945 -1.854 7.739 1.00 0.00 O ATOM 1556 CG2 THR A 96 -9.194 0.159 9.041 1.00 0.00 C ATOM 0 H THR A 96 -6.759 -1.898 6.644 1.00 0.00 H new ATOM 0 HA THR A 96 -8.283 0.513 6.554 1.00 0.00 H new ATOM 0 HB THR A 96 -7.475 -1.140 8.993 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.326 -2.588 7.542 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.684 -0.397 9.840 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.643 0.997 9.467 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.945 0.534 8.346 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.423 0.704 8.170 1.00 0.00 N ATOM 1565 CA TYR A 97 -4.500 1.701 8.782 1.00 0.00 C ATOM 1566 C TYR A 97 -4.266 2.869 7.820 1.00 0.00 C ATOM 1567 O TYR A 97 -4.342 4.020 8.204 1.00 0.00 O ATOM 1568 CB TYR A 97 -3.164 1.030 9.109 1.00 0.00 C ATOM 1569 CG TYR A 97 -2.250 2.033 9.772 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -2.367 2.286 11.146 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.288 2.713 9.017 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -1.521 3.216 11.760 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -0.442 3.644 9.631 1.00 0.00 C ATOM 1574 CZ TYR A 97 -0.559 3.896 11.004 1.00 0.00 C ATOM 1575 OH TYR A 97 0.274 4.814 11.610 1.00 0.00 O ATOM 0 H TYR A 97 -5.052 -0.243 8.090 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.951 2.083 9.698 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.324 0.176 9.767 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.703 0.648 8.198 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.110 1.763 11.730 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.198 2.519 7.958 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.610 3.409 12.819 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.300 4.168 9.047 1.00 0.00 H new ATOM 0 HH TYR A 97 0.883 5.194 10.943 1.00 0.00 H new ATOM 1585 N LEU A 98 -3.988 2.594 6.574 1.00 0.00 N ATOM 1586 CA LEU A 98 -3.760 3.711 5.612 1.00 0.00 C ATOM 1587 C LEU A 98 -5.053 4.507 5.434 1.00 0.00 C ATOM 1588 O LEU A 98 -5.035 5.718 5.331 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.307 3.152 4.262 1.00 0.00 C ATOM 1590 CG LEU A 98 -1.869 2.638 4.375 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.465 1.961 3.064 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -0.926 3.814 4.646 1.00 0.00 C ATOM 0 H LEU A 98 -3.909 1.655 6.183 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.983 4.368 6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.969 2.344 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.368 3.926 3.497 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.805 1.921 5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.441 1.595 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.135 1.125 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.530 2.680 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.098 3.448 4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.992 4.530 3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.211 4.302 5.578 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.172 3.844 5.403 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.457 4.569 5.238 1.00 0.00 C ATOM 1606 C LYS A 99 -7.644 5.541 6.405 1.00 0.00 C ATOM 1607 O LYS A 99 -8.156 6.630 6.242 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.609 3.564 5.219 1.00 0.00 C ATOM 1609 CG LYS A 99 -8.516 2.707 3.957 1.00 0.00 C ATOM 1610 CD LYS A 99 -9.673 1.706 3.936 1.00 0.00 C ATOM 1611 CE LYS A 99 -11.000 2.463 3.851 1.00 0.00 C ATOM 1612 NZ LYS A 99 -11.589 2.586 5.215 1.00 0.00 N ATOM 0 H LYS A 99 -6.252 2.830 5.485 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.446 5.125 4.300 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.568 2.931 6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.564 4.089 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.552 3.340 3.071 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.563 2.179 3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.571 1.033 3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.651 1.089 4.834 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.840 3.452 3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.690 1.937 3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.415 1.958 5.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.879 2.316 5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.885 3.570 5.378 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.229 5.155 7.582 1.00 0.00 N ATOM 1627 CA LYS A 100 -7.379 6.055 8.757 1.00 0.00 C ATOM 1628 C LYS A 100 -6.634 7.363 8.494 1.00 0.00 C ATOM 1629 O LYS A 100 -7.121 8.437 8.780 1.00 0.00 O ATOM 1630 CB LYS A 100 -6.788 5.374 9.990 1.00 0.00 C ATOM 1631 CG LYS A 100 -7.029 6.242 11.223 1.00 0.00 C ATOM 1632 CD LYS A 100 -6.340 5.603 12.429 1.00 0.00 C ATOM 1633 CE LYS A 100 -6.721 6.363 13.700 1.00 0.00 C ATOM 1634 NZ LYS A 100 -7.826 5.646 14.395 1.00 0.00 N ATOM 0 H LYS A 100 -6.793 4.254 7.778 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.435 6.266 8.925 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.243 4.393 10.129 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.719 5.212 9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.640 7.247 11.057 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.098 6.341 11.410 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.634 4.557 12.517 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.259 5.620 12.294 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.857 6.447 14.359 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.032 7.378 13.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.085 6.163 15.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.652 5.588 13.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.513 4.686 14.646 1.00 0.00 H new ATOM 1648 N ALA A 101 -5.454 7.274 7.949 1.00 0.00 N ATOM 1649 CA ALA A 101 -4.671 8.510 7.663 1.00 0.00 C ATOM 1650 C ALA A 101 -5.427 9.367 6.645 1.00 0.00 C ATOM 1651 O ALA A 101 -5.400 10.580 6.699 1.00 0.00 O ATOM 1652 CB ALA A 101 -3.303 8.128 7.094 1.00 0.00 C ATOM 0 H ALA A 101 -4.997 6.400 7.689 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.535 9.076 8.585 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.731 9.032 6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.765 7.517 7.819 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.437 7.562 6.172 1.00 0.00 H new ATOM 1658 N THR A 102 -6.101 8.744 5.718 1.00 0.00 N ATOM 1659 CA THR A 102 -6.858 9.521 4.698 1.00 0.00 C ATOM 1660 C THR A 102 -8.072 10.183 5.355 1.00 0.00 C ATOM 1661 O THR A 102 -8.589 11.170 4.875 1.00 0.00 O ATOM 1662 CB THR A 102 -7.330 8.580 3.587 1.00 0.00 C ATOM 1663 OG1 THR A 102 -8.271 7.656 4.119 1.00 0.00 O ATOM 1664 CG2 THR A 102 -6.132 7.821 3.016 1.00 0.00 C ATOM 0 H THR A 102 -6.160 7.730 5.623 1.00 0.00 H new ATOM 0 HA THR A 102 -6.211 10.289 4.274 1.00 0.00 H new ATOM 0 HB THR A 102 -7.800 9.161 2.793 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.099 7.529 5.075 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.469 7.151 2.225 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.412 8.531 2.608 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.659 7.239 3.807 1.00 0.00 H new ATOM 1672 N GLU A 103 -8.530 9.645 6.452 1.00 0.00 N ATOM 1673 CA GLU A 103 -9.710 10.241 7.138 1.00 0.00 C ATOM 1674 C GLU A 103 -9.261 11.439 7.976 1.00 0.00 C ATOM 1675 O GLU A 103 -8.093 11.600 8.271 1.00 0.00 O ATOM 1676 CB GLU A 103 -10.352 9.194 8.050 1.00 0.00 C ATOM 1677 CG GLU A 103 -11.645 9.757 8.644 1.00 0.00 C ATOM 1678 CD GLU A 103 -12.236 8.749 9.632 1.00 0.00 C ATOM 1679 OE1 GLU A 103 -11.626 7.710 9.823 1.00 0.00 O ATOM 1680 OE2 GLU A 103 -13.288 9.035 10.181 1.00 0.00 O ATOM 0 H GLU A 103 -8.138 8.818 6.903 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.436 10.569 6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.564 8.286 7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.662 8.920 8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.444 10.702 9.149 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.361 9.966 7.850 1.00 0.00 H new TER 1687 GLU A 103 HETATM 1688 FE HEC A 201 5.490 1.306 -1.736 1.00 0.00 FE HETATM 1689 CHA HEC A 201 4.929 2.849 -4.694 1.00 0.00 C HETATM 1690 CHB HEC A 201 2.185 0.660 -1.452 1.00 0.00 C HETATM 1691 CHC HEC A 201 6.055 -0.239 1.213 1.00 0.00 C HETATM 1692 CHD HEC A 201 8.800 1.955 -2.037 1.00 0.00 C HETATM 1693 NA HEC A 201 3.908 1.676 -2.828 1.00 0.00 N HETATM 1694 C1A HEC A 201 3.845 2.319 -4.046 1.00 0.00 C HETATM 1695 C2A HEC A 201 2.497 2.358 -4.558 1.00 0.00 C HETATM 1696 C3A HEC A 201 1.710 1.834 -3.588 1.00 0.00 C HETATM 1697 C4A HEC A 201 2.599 1.350 -2.561 1.00 0.00 C HETATM 1698 CMA HEC A 201 0.233 1.990 -3.465 1.00 0.00 C HETATM 1699 CAA HEC A 201 2.111 2.574 -5.986 1.00 0.00 C HETATM 1700 CBA HEC A 201 2.418 3.995 -6.462 1.00 0.00 C HETATM 1701 CGA HEC A 201 1.125 4.672 -6.925 1.00 0.00 C HETATM 1702 O1A HEC A 201 0.931 5.829 -6.587 1.00 0.00 O HETATM 1703 O2A HEC A 201 0.353 4.021 -7.610 1.00 0.00 O HETATM 1704 NB HEC A 201 4.368 0.387 -0.419 1.00 0.00 N HETATM 1705 C1B HEC A 201 3.005 0.202 -0.450 1.00 0.00 C HETATM 1706 C2B HEC A 201 2.535 -0.532 0.701 1.00 0.00 C HETATM 1707 C3B HEC A 201 3.620 -0.685 1.523 1.00 0.00 C HETATM 1708 C4B HEC A 201 4.754 -0.182 0.774 1.00 0.00 C HETATM 1709 CMB HEC A 201 1.256 -1.299 0.752 1.00 0.00 C HETATM 1710 CAB HEC A 201 3.616 -0.931 3.010 1.00 0.00 C HETATM 1711 CBB HEC A 201 2.391 -1.673 3.551 1.00 0.00 C HETATM 1712 NC HEC A 201 7.077 0.935 -0.652 1.00 0.00 N HETATM 1713 C1C HEC A 201 7.142 0.269 0.549 1.00 0.00 C HETATM 1714 C2C HEC A 201 8.498 0.147 1.019 1.00 0.00 C HETATM 1715 C3C HEC A 201 9.265 0.851 0.158 1.00 0.00 C HETATM 1716 C4C HEC A 201 8.390 1.275 -0.914 1.00 0.00 C HETATM 1717 CMC HEC A 201 8.993 -0.845 2.010 1.00 0.00 C HETATM 1718 CAC HEC A 201 10.656 1.322 0.428 1.00 0.00 C HETATM 1719 CBC HEC A 201 11.707 0.226 0.241 1.00 0.00 C HETATM 1720 ND HEC A 201 6.609 2.220 -3.056 1.00 0.00 N HETATM 1721 C1D HEC A 201 7.974 2.395 -3.039 1.00 0.00 C HETATM 1722 C2D HEC A 201 8.438 3.065 -4.228 1.00 0.00 C HETATM 1723 C3D HEC A 201 7.334 3.398 -4.929 1.00 0.00 C HETATM 1724 C4D HEC A 201 6.218 2.811 -4.236 1.00 0.00 C HETATM 1725 CMD HEC A 201 9.832 3.065 -4.751 1.00 0.00 C HETATM 1726 CAD HEC A 201 7.260 4.393 -6.032 1.00 0.00 C HETATM 1727 CBD HEC A 201 7.321 3.733 -7.413 1.00 0.00 C HETATM 1728 CGD HEC A 201 6.247 4.340 -8.317 1.00 0.00 C HETATM 1729 O1D HEC A 201 5.769 3.635 -9.191 1.00 0.00 O HETATM 1730 O2D HEC A 201 5.922 5.498 -8.122 1.00 0.00 O HETATM 0 HMD3 HEC A 201 10.500 3.496 -4.006 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 10.140 2.042 -4.966 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 9.878 3.657 -5.665 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 8.463 -0.712 2.953 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 8.818 -1.853 1.634 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.061 -0.698 2.170 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 0.420 -0.624 0.569 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 1.268 -2.077 -0.011 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 1.145 -1.756 1.735 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 -0.015 3.047 -3.370 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 -0.251 1.583 -4.353 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 -0.117 1.454 -2.583 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 8.307 3.878 -7.854 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 7.168 2.658 -7.321 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 11.499 -0.598 0.924 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 11.675 -0.137 -0.786 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 12.697 0.631 0.452 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 1.491 -1.098 3.332 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 2.320 -2.652 3.077 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 2.488 -1.798 4.629 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 2.872 4.570 -5.655 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 3.139 3.968 -7.279 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 6.335 4.962 -5.944 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 8.081 5.103 -5.934 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 2.642 1.860 -6.615 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 1.046 2.375 -6.106 1.00 0.00 H new HETATM 0 HHD HEC A 201 9.866 2.160 -2.138 1.00 0.00 H new HETATM 0 HHC HEC A 201 6.238 -0.729 2.169 1.00 0.00 H new HETATM 0 HHB HEC A 201 1.118 0.458 -1.357 1.00 0.00 H new HETATM 0 HHA HEC A 201 4.751 3.340 -5.651 1.00 0.00 H new