USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=27 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= -2.71! C(o=-4!,f=-23!) USER MOD Set 1.2: A 80 MET CE :methyl 163:sc= -1.33 (180deg=-0.00362) USER MOD Set 2.1: A 63 ASN : amide:sc= -0.56 K(o=-6,f=-5.2) USER MOD Set 2.2: A 74 TYR OH : rot 125:sc= -5.39! USER MOD Set 3.1: A 40 SER OG : rot -114:sc= -2.05! USER MOD Set 3.2: A 52 ASN : amide:sc= -1.28 K(o=-3.3,f=-9.4!) USER MOD Set 4.1: A 19 THR OG1 : rot -152:sc= -0.517 USER MOD Set 4.2: A 31 ASN : amide:sc= -3.29 K(o=-3.8,f=0.11!) USER MOD Set 5.1: A -5 THR N :NH3+ -108:sc= 0.567 (180deg=-0.122) USER MOD Set 5.2: A 62 ASN : amide:sc= 0.457 K(o=1,f=-0.55) 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+ 151:sc= 0 (180deg=-0.158) USER MOD Single : A 8 THR OG1 : rot -39:sc= 0.47 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR OG1 : rot 38:sc= 0.233 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -22:sc= 0.954 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-5.3!) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.114) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 39 HIS : no HD1:sc= -0.69 K(o=-0.69,f=-1.4) USER MOD Single : A 42 GLN : amide:sc= -5.9! C(o=-5.9!,f=-3.5!) USER MOD Single : A 46 TYR OH : rot 134:sc= 0.657 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.627 USER MOD Single : A 49 THR OG1 : rot -108:sc= -1.49! 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 K(o=-2,f=-5.7!) USER MOD Single : A 64 MET CE :methyl -163:sc= -2.12 (180deg=-2.73) USER MOD Single : A 65 SER OG : rot 75:sc= -1.5 USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 70 ASN : amide:sc= -3.46! C(o=-3.5!,f=-4.5!) USER MOD Single : A 73 LYS NZ :NH3+ -141:sc= -0.0371 (180deg=-0.457) USER MOD Single : A 78 THR OG1 : rot -90:sc= 0.825 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -177:sc= -1.53 (180deg=-1.64) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0316 K(o=-0.032,f=-1.9!) USER MOD Single : A 96 THR OG1 : rot 81:sc= 0.649 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 176:sc= -0.482! (180deg=-0.636!) USER MOD Single : A 100 LYS NZ :NH3+ -160:sc= -0.014 (180deg=-0.203) USER MOD Single : A 102 THR OG1 : rot -84:sc= 0.705 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -14.559 -7.322 -3.102 1.00 0.00 N ATOM 2 CA THR A -5 -15.107 -5.950 -2.900 1.00 0.00 C ATOM 3 C THR A -5 -15.283 -5.688 -1.403 1.00 0.00 C ATOM 4 O THR A -5 -16.002 -6.390 -0.722 1.00 0.00 O ATOM 5 CB THR A -5 -16.463 -5.834 -3.601 1.00 0.00 C ATOM 6 OG1 THR A -5 -17.258 -6.969 -3.282 1.00 0.00 O ATOM 7 CG2 THR A -5 -16.254 -5.763 -5.114 1.00 0.00 C ATOM 0 H1 THR A -5 -13.567 -7.258 -3.406 1.00 0.00 H new ATOM 0 H2 THR A -5 -14.614 -7.853 -2.209 1.00 0.00 H new ATOM 0 H3 THR A -5 -15.114 -7.814 -3.832 1.00 0.00 H new ATOM 0 HA THR A -5 -14.418 -5.217 -3.319 1.00 0.00 H new ATOM 0 HB THR A -5 -16.970 -4.929 -3.265 1.00 0.00 H new ATOM 0 HG1 THR A -5 -17.115 -7.216 -2.344 1.00 0.00 H new ATOM 0 HG21 THR A -5 -17.220 -5.680 -5.611 1.00 0.00 H new ATOM 0 HG22 THR A -5 -15.645 -4.892 -5.357 1.00 0.00 H new ATOM 0 HG23 THR A -5 -15.747 -6.666 -5.454 1.00 0.00 H new ATOM 17 N GLU A -4 -14.630 -4.681 -0.888 1.00 0.00 N ATOM 18 CA GLU A -4 -14.755 -4.368 0.566 1.00 0.00 C ATOM 19 C GLU A -4 -14.349 -5.589 1.396 1.00 0.00 C ATOM 20 O GLU A -4 -14.495 -6.717 0.970 1.00 0.00 O ATOM 21 CB GLU A -4 -16.204 -3.990 0.885 1.00 0.00 C ATOM 22 CG GLU A -4 -16.298 -3.510 2.335 1.00 0.00 C ATOM 23 CD GLU A -4 -17.759 -3.227 2.686 1.00 0.00 C ATOM 24 OE1 GLU A -4 -18.604 -3.433 1.829 1.00 0.00 O ATOM 25 OE2 GLU A -4 -18.010 -2.809 3.805 1.00 0.00 O ATOM 0 H GLU A -4 -14.014 -4.060 -1.412 1.00 0.00 H new ATOM 0 HA GLU A -4 -14.099 -3.533 0.812 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -16.544 -3.206 0.208 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -16.857 -4.849 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -15.892 -4.266 3.006 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -15.700 -2.609 2.470 1.00 0.00 H new ATOM 32 N PHE A -3 -13.838 -5.369 2.577 1.00 0.00 N ATOM 33 CA PHE A -3 -13.417 -6.508 3.439 1.00 0.00 C ATOM 34 C PHE A -3 -14.039 -6.355 4.832 1.00 0.00 C ATOM 35 O PHE A -3 -14.561 -5.312 5.176 1.00 0.00 O ATOM 36 CB PHE A -3 -11.890 -6.526 3.539 1.00 0.00 C ATOM 37 CG PHE A -3 -11.404 -5.275 4.231 1.00 0.00 C ATOM 38 CD1 PHE A -3 -11.182 -4.104 3.497 1.00 0.00 C ATOM 39 CD2 PHE A -3 -11.169 -5.291 5.608 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.725 -2.949 4.144 1.00 0.00 C ATOM 41 CE2 PHE A -3 -10.714 -4.136 6.257 1.00 0.00 C ATOM 42 CZ PHE A -3 -10.492 -2.965 5.524 1.00 0.00 C ATOM 0 H PHE A -3 -13.694 -4.444 2.983 1.00 0.00 H new ATOM 0 HA PHE A -3 -13.758 -7.447 3.004 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -11.564 -7.407 4.091 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -11.453 -6.594 2.543 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.363 -4.091 2.432 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -11.338 -6.196 6.173 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -10.552 -2.046 3.578 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -10.535 -4.149 7.322 1.00 0.00 H new ATOM 0 HZ PHE A -3 -10.141 -2.074 6.023 1.00 0.00 H new ATOM 52 N LYS A -2 -14.005 -7.390 5.629 1.00 0.00 N ATOM 53 CA LYS A -2 -14.614 -7.309 6.991 1.00 0.00 C ATOM 54 C LYS A -2 -13.883 -6.266 7.838 1.00 0.00 C ATOM 55 O LYS A -2 -12.677 -6.291 7.967 1.00 0.00 O ATOM 56 CB LYS A -2 -14.514 -8.673 7.674 1.00 0.00 C ATOM 57 CG LYS A -2 -15.243 -8.628 9.017 1.00 0.00 C ATOM 58 CD LYS A -2 -15.237 -10.021 9.651 1.00 0.00 C ATOM 59 CE LYS A -2 -13.808 -10.399 10.042 1.00 0.00 C ATOM 60 NZ LYS A -2 -13.843 -11.461 11.088 1.00 0.00 N ATOM 0 H LYS A -2 -13.582 -8.289 5.397 1.00 0.00 H new ATOM 0 HA LYS A -2 -15.660 -7.018 6.893 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -14.950 -9.443 7.037 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -13.468 -8.940 7.825 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -14.758 -7.913 9.682 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -16.268 -8.287 8.875 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -15.881 -10.034 10.530 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -15.639 -10.753 8.950 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -13.262 -10.753 9.168 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -13.278 -9.523 10.416 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -12.871 -11.718 11.354 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -14.349 -11.107 11.925 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -14.333 -12.299 10.716 1.00 0.00 H new ATOM 74 N ALA A -1 -14.610 -5.352 8.425 1.00 0.00 N ATOM 75 CA ALA A -1 -13.960 -4.309 9.270 1.00 0.00 C ATOM 76 C ALA A -1 -12.858 -4.947 10.115 1.00 0.00 C ATOM 77 O ALA A -1 -13.104 -5.478 11.181 1.00 0.00 O ATOM 78 CB ALA A -1 -15.002 -3.673 10.190 1.00 0.00 C ATOM 0 H ALA A -1 -15.625 -5.283 8.356 1.00 0.00 H new ATOM 0 HA ALA A -1 -13.527 -3.543 8.627 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -14.526 -2.911 10.807 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -15.787 -3.215 9.589 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -15.437 -4.439 10.831 1.00 0.00 H new ATOM 84 N GLY A 1 -11.643 -4.903 9.644 1.00 0.00 N ATOM 85 CA GLY A 1 -10.519 -5.505 10.413 1.00 0.00 C ATOM 86 C GLY A 1 -9.881 -4.438 11.303 1.00 0.00 C ATOM 87 O GLY A 1 -9.914 -3.263 10.998 1.00 0.00 O ATOM 0 H GLY A 1 -11.380 -4.475 8.757 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.883 -6.332 11.023 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.776 -5.916 9.730 1.00 0.00 H new ATOM 91 N SER A 2 -9.299 -4.837 12.400 1.00 0.00 N ATOM 92 CA SER A 2 -8.660 -3.839 13.302 1.00 0.00 C ATOM 93 C SER A 2 -7.417 -3.267 12.621 1.00 0.00 C ATOM 94 O SER A 2 -6.828 -3.890 11.761 1.00 0.00 O ATOM 95 CB SER A 2 -8.259 -4.517 14.612 1.00 0.00 C ATOM 96 OG SER A 2 -7.111 -5.327 14.389 1.00 0.00 O ATOM 0 H SER A 2 -9.238 -5.807 12.710 1.00 0.00 H new ATOM 0 HA SER A 2 -9.364 -3.034 13.513 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.047 -3.766 15.373 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.081 -5.127 14.986 1.00 0.00 H new ATOM 0 HG SER A 2 -6.850 -5.762 15.227 1.00 0.00 H new ATOM 102 N ALA A 3 -7.013 -2.085 12.995 1.00 0.00 N ATOM 103 CA ALA A 3 -5.808 -1.478 12.364 1.00 0.00 C ATOM 104 C ALA A 3 -4.598 -1.650 13.286 1.00 0.00 C ATOM 105 O ALA A 3 -3.475 -1.386 12.904 1.00 0.00 O ATOM 106 CB ALA A 3 -6.056 0.012 12.122 1.00 0.00 C ATOM 0 H ALA A 3 -7.464 -1.514 13.709 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.610 -1.975 11.414 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.175 0.457 11.660 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.914 0.135 11.461 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.257 0.507 13.072 1.00 0.00 H new ATOM 112 N LYS A 4 -4.814 -2.080 14.499 1.00 0.00 N ATOM 113 CA LYS A 4 -3.671 -2.253 15.437 1.00 0.00 C ATOM 114 C LYS A 4 -2.665 -3.249 14.853 1.00 0.00 C ATOM 115 O LYS A 4 -1.481 -2.986 14.800 1.00 0.00 O ATOM 116 CB LYS A 4 -4.186 -2.779 16.778 1.00 0.00 C ATOM 117 CG LYS A 4 -3.036 -2.823 17.786 1.00 0.00 C ATOM 118 CD LYS A 4 -3.536 -3.410 19.107 1.00 0.00 C ATOM 119 CE LYS A 4 -2.421 -3.346 20.153 1.00 0.00 C ATOM 120 NZ LYS A 4 -3.016 -3.111 21.500 1.00 0.00 N ATOM 0 H LYS A 4 -5.730 -2.318 14.879 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.181 -1.291 15.585 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.985 -2.137 17.150 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.610 -3.775 16.651 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.218 -3.427 17.394 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.642 -1.820 17.948 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.408 -2.856 19.456 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.852 -4.443 18.961 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.853 -4.276 20.152 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.723 -2.546 19.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.259 -3.067 22.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.540 -2.212 21.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.665 -3.889 21.733 1.00 0.00 H new ATOM 134 N LYS A 5 -3.125 -4.388 14.410 1.00 0.00 N ATOM 135 CA LYS A 5 -2.184 -5.387 13.828 1.00 0.00 C ATOM 136 C LYS A 5 -1.568 -4.819 12.549 1.00 0.00 C ATOM 137 O LYS A 5 -0.373 -4.880 12.341 1.00 0.00 O ATOM 138 CB LYS A 5 -2.946 -6.673 13.500 1.00 0.00 C ATOM 139 CG LYS A 5 -3.475 -7.298 14.793 1.00 0.00 C ATOM 140 CD LYS A 5 -4.138 -8.641 14.479 1.00 0.00 C ATOM 141 CE LYS A 5 -4.774 -9.206 15.750 1.00 0.00 C ATOM 142 NZ LYS A 5 -5.634 -10.373 15.398 1.00 0.00 N ATOM 0 H LYS A 5 -4.106 -4.669 14.426 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.394 -5.606 14.546 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.773 -6.456 12.824 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.290 -7.376 12.986 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.658 -7.441 15.501 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.193 -6.628 15.266 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.896 -8.512 13.707 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.399 -9.340 14.087 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.999 -9.511 16.453 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.369 -8.438 16.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.666 -11.035 16.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.596 -10.043 15.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.240 -10.856 14.566 1.00 0.00 H new ATOM 156 N GLY A 6 -2.379 -4.262 11.693 1.00 0.00 N ATOM 157 CA GLY A 6 -1.852 -3.684 10.425 1.00 0.00 C ATOM 158 C GLY A 6 -0.928 -2.505 10.735 1.00 0.00 C ATOM 159 O GLY A 6 0.002 -2.227 10.005 1.00 0.00 O ATOM 0 H GLY A 6 -3.388 -4.182 11.818 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.309 -4.446 9.866 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.678 -3.354 9.795 1.00 0.00 H new ATOM 163 N ALA A 7 -1.182 -1.801 11.805 1.00 0.00 N ATOM 164 CA ALA A 7 -0.322 -0.632 12.146 1.00 0.00 C ATOM 165 C ALA A 7 1.125 -1.087 12.329 1.00 0.00 C ATOM 166 O ALA A 7 2.045 -0.480 11.817 1.00 0.00 O ATOM 167 CB ALA A 7 -0.821 0.006 13.444 1.00 0.00 C ATOM 0 H ALA A 7 -1.946 -1.984 12.456 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.370 0.096 11.336 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.193 0.861 13.694 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.851 0.338 13.314 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.775 -0.726 14.250 1.00 0.00 H new ATOM 173 N THR A 8 1.338 -2.150 13.051 1.00 0.00 N ATOM 174 CA THR A 8 2.728 -2.636 13.259 1.00 0.00 C ATOM 175 C THR A 8 3.247 -3.259 11.962 1.00 0.00 C ATOM 176 O THR A 8 4.393 -3.088 11.598 1.00 0.00 O ATOM 177 CB THR A 8 2.737 -3.682 14.373 1.00 0.00 C ATOM 178 OG1 THR A 8 2.009 -4.827 13.950 1.00 0.00 O ATOM 179 CG2 THR A 8 2.090 -3.099 15.629 1.00 0.00 C ATOM 0 H THR A 8 0.611 -2.702 13.505 1.00 0.00 H new ATOM 0 HA THR A 8 3.371 -1.802 13.541 1.00 0.00 H new ATOM 0 HB THR A 8 3.765 -3.966 14.597 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.221 -4.544 13.440 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.097 -3.846 16.422 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.649 -2.221 15.952 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.061 -2.813 15.409 1.00 0.00 H new ATOM 187 N LEU A 9 2.410 -3.968 11.251 1.00 0.00 N ATOM 188 CA LEU A 9 2.871 -4.580 9.974 1.00 0.00 C ATOM 189 C LEU A 9 3.347 -3.457 9.058 1.00 0.00 C ATOM 190 O LEU A 9 4.357 -3.562 8.390 1.00 0.00 O ATOM 191 CB LEU A 9 1.710 -5.325 9.309 1.00 0.00 C ATOM 192 CG LEU A 9 2.221 -6.085 8.085 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.760 -7.449 8.516 1.00 0.00 C ATOM 194 CD2 LEU A 9 1.075 -6.282 7.091 1.00 0.00 C ATOM 0 H LEU A 9 1.437 -4.148 11.497 1.00 0.00 H new ATOM 0 HA LEU A 9 3.679 -5.287 10.164 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.257 -6.019 10.017 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.934 -4.619 9.013 1.00 0.00 H new ATOM 0 HG LEU A 9 3.019 -5.513 7.612 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.124 -7.989 7.642 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.578 -7.310 9.223 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.963 -8.022 8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.439 -6.824 6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.276 -6.853 7.565 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.692 -5.310 6.781 1.00 0.00 H new ATOM 206 N PHE A 10 2.627 -2.372 9.045 1.00 0.00 N ATOM 207 CA PHE A 10 3.024 -1.214 8.204 1.00 0.00 C ATOM 208 C PHE A 10 4.376 -0.697 8.693 1.00 0.00 C ATOM 209 O PHE A 10 5.284 -0.445 7.924 1.00 0.00 O ATOM 210 CB PHE A 10 1.966 -0.115 8.354 1.00 0.00 C ATOM 211 CG PHE A 10 2.266 1.027 7.418 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.811 0.987 6.094 1.00 0.00 C ATOM 213 CD2 PHE A 10 2.996 2.127 7.876 1.00 0.00 C ATOM 214 CE1 PHE A 10 2.090 2.052 5.228 1.00 0.00 C ATOM 215 CE2 PHE A 10 3.274 3.190 7.010 1.00 0.00 C ATOM 216 CZ PHE A 10 2.821 3.153 5.689 1.00 0.00 C ATOM 0 H PHE A 10 1.773 -2.238 9.586 1.00 0.00 H new ATOM 0 HA PHE A 10 3.101 -1.507 7.157 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.977 -0.520 8.140 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.947 0.244 9.383 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.246 0.137 5.741 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.345 2.157 8.898 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.742 2.024 4.206 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.839 4.040 7.363 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.035 3.975 5.022 1.00 0.00 H new ATOM 226 N LYS A 11 4.507 -0.542 9.982 1.00 0.00 N ATOM 227 CA LYS A 11 5.783 -0.045 10.565 1.00 0.00 C ATOM 228 C LYS A 11 6.911 -1.038 10.276 1.00 0.00 C ATOM 229 O LYS A 11 8.038 -0.661 10.024 1.00 0.00 O ATOM 230 CB LYS A 11 5.617 0.088 12.081 1.00 0.00 C ATOM 231 CG LYS A 11 6.808 0.851 12.663 1.00 0.00 C ATOM 232 CD LYS A 11 6.672 0.929 14.185 1.00 0.00 C ATOM 233 CE LYS A 11 7.793 1.799 14.757 1.00 0.00 C ATOM 234 NZ LYS A 11 7.223 2.752 15.751 1.00 0.00 N ATOM 0 H LYS A 11 3.774 -0.741 10.663 1.00 0.00 H new ATOM 0 HA LYS A 11 6.029 0.921 10.123 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.689 0.612 12.311 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.547 -0.899 12.537 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.739 0.351 12.396 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.852 1.854 12.240 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.701 1.347 14.452 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.718 -0.071 14.616 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.549 1.172 15.230 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.289 2.346 13.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.984 3.344 16.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.517 3.358 15.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.769 2.220 16.521 1.00 0.00 H new ATOM 248 N THR A 12 6.620 -2.306 10.347 1.00 0.00 N ATOM 249 CA THR A 12 7.673 -3.337 10.115 1.00 0.00 C ATOM 250 C THR A 12 8.104 -3.377 8.645 1.00 0.00 C ATOM 251 O THR A 12 9.245 -3.662 8.343 1.00 0.00 O ATOM 252 CB THR A 12 7.129 -4.709 10.516 1.00 0.00 C ATOM 253 OG1 THR A 12 6.064 -5.067 9.647 1.00 0.00 O ATOM 254 CG2 THR A 12 6.619 -4.658 11.956 1.00 0.00 C ATOM 0 H THR A 12 5.693 -2.676 10.557 1.00 0.00 H new ATOM 0 HA THR A 12 8.543 -3.078 10.719 1.00 0.00 H new ATOM 0 HB THR A 12 7.924 -5.450 10.442 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.689 -4.259 9.239 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.232 -5.637 12.240 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.437 -4.384 12.622 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.824 -3.917 12.034 1.00 0.00 H new ATOM 262 N ARG A 13 7.217 -3.117 7.721 1.00 0.00 N ATOM 263 CA ARG A 13 7.627 -3.178 6.289 1.00 0.00 C ATOM 264 C ARG A 13 6.832 -2.179 5.444 1.00 0.00 C ATOM 265 O ARG A 13 6.184 -2.551 4.486 1.00 0.00 O ATOM 266 CB ARG A 13 7.382 -4.591 5.752 1.00 0.00 C ATOM 267 CG ARG A 13 8.281 -5.588 6.488 1.00 0.00 C ATOM 268 CD ARG A 13 8.145 -6.969 5.844 1.00 0.00 C ATOM 269 NE ARG A 13 8.839 -7.982 6.690 1.00 0.00 N ATOM 270 CZ ARG A 13 10.131 -8.136 6.596 1.00 0.00 C ATOM 271 NH1 ARG A 13 10.818 -7.401 5.765 1.00 0.00 N ATOM 272 NH2 ARG A 13 10.737 -9.024 7.336 1.00 0.00 N ATOM 0 H ARG A 13 6.242 -2.869 7.892 1.00 0.00 H new ATOM 0 HA ARG A 13 8.685 -2.924 6.225 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.335 -4.864 5.885 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.587 -4.624 4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.319 -5.257 6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.003 -5.637 7.541 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.092 -7.230 5.736 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.575 -6.959 4.843 1.00 0.00 H new ATOM 0 HE ARG A 13 8.303 -8.555 7.342 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.345 -6.705 5.188 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.828 -7.522 5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.200 -9.597 7.987 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.747 -9.145 7.263 1.00 0.00 H new ATOM 286 N CYS A 14 6.881 -0.917 5.769 1.00 0.00 N ATOM 287 CA CYS A 14 6.131 0.076 4.948 1.00 0.00 C ATOM 288 C CYS A 14 6.475 1.499 5.392 1.00 0.00 C ATOM 289 O CYS A 14 6.850 2.332 4.593 1.00 0.00 O ATOM 290 CB CYS A 14 4.628 -0.162 5.100 1.00 0.00 C ATOM 291 SG CYS A 14 3.778 0.383 3.596 1.00 0.00 S ATOM 0 H CYS A 14 7.401 -0.533 6.558 1.00 0.00 H new ATOM 0 HA CYS A 14 6.414 -0.045 3.902 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.432 -1.219 5.279 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.248 0.383 5.964 1.00 0.00 H new ATOM 296 N LEU A 15 6.348 1.790 6.655 1.00 0.00 N ATOM 297 CA LEU A 15 6.665 3.165 7.136 1.00 0.00 C ATOM 298 C LEU A 15 8.105 3.525 6.765 1.00 0.00 C ATOM 299 O LEU A 15 8.404 4.650 6.419 1.00 0.00 O ATOM 300 CB LEU A 15 6.500 3.224 8.659 1.00 0.00 C ATOM 301 CG LEU A 15 6.717 4.658 9.161 1.00 0.00 C ATOM 302 CD1 LEU A 15 5.454 5.492 8.929 1.00 0.00 C ATOM 303 CD2 LEU A 15 7.027 4.623 10.656 1.00 0.00 C ATOM 0 H LEU A 15 6.039 1.137 7.375 1.00 0.00 H new ATOM 0 HA LEU A 15 5.985 3.876 6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.504 2.880 8.938 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.214 2.552 9.136 1.00 0.00 H new ATOM 0 HG LEU A 15 7.548 5.107 8.617 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.618 6.508 9.288 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.225 5.517 7.864 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.619 5.046 9.470 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.182 5.639 11.019 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.192 4.170 11.190 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.929 4.035 10.827 1.00 0.00 H new ATOM 315 N GLN A 16 9.002 2.582 6.838 1.00 0.00 N ATOM 316 CA GLN A 16 10.420 2.880 6.495 1.00 0.00 C ATOM 317 C GLN A 16 10.509 3.402 5.059 1.00 0.00 C ATOM 318 O GLN A 16 11.326 4.244 4.747 1.00 0.00 O ATOM 319 CB GLN A 16 11.253 1.603 6.624 1.00 0.00 C ATOM 320 CG GLN A 16 11.265 1.147 8.083 1.00 0.00 C ATOM 321 CD GLN A 16 12.073 -0.145 8.210 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.316 -0.822 7.230 1.00 0.00 O ATOM 323 NE2 GLN A 16 12.504 -0.520 9.383 1.00 0.00 N ATOM 0 H GLN A 16 8.815 1.620 7.120 1.00 0.00 H new ATOM 0 HA GLN A 16 10.803 3.639 7.177 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.837 0.819 5.990 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.271 1.784 6.280 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.699 1.923 8.713 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.245 0.986 8.433 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.301 0.047 10.206 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.044 -1.380 9.477 1.00 0.00 H new ATOM 332 N CYS A 17 9.687 2.900 4.180 1.00 0.00 N ATOM 333 CA CYS A 17 9.742 3.366 2.764 1.00 0.00 C ATOM 334 C CYS A 17 8.688 4.448 2.511 1.00 0.00 C ATOM 335 O CYS A 17 8.952 5.437 1.855 1.00 0.00 O ATOM 336 CB CYS A 17 9.466 2.187 1.834 1.00 0.00 C ATOM 337 SG CYS A 17 10.840 1.009 1.911 1.00 0.00 S ATOM 0 H CYS A 17 8.982 2.190 4.378 1.00 0.00 H new ATOM 0 HA CYS A 17 10.732 3.779 2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.537 1.695 2.122 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.336 2.541 0.811 1.00 0.00 H new ATOM 342 N HIS A 18 7.494 4.261 3.005 1.00 0.00 N ATOM 343 CA HIS A 18 6.423 5.273 2.769 1.00 0.00 C ATOM 344 C HIS A 18 6.164 6.072 4.045 1.00 0.00 C ATOM 345 O HIS A 18 5.881 5.521 5.089 1.00 0.00 O ATOM 346 CB HIS A 18 5.137 4.552 2.354 1.00 0.00 C ATOM 347 CG HIS A 18 5.286 3.993 0.967 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.233 4.789 -0.174 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.458 2.712 0.522 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.366 3.974 -1.242 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.504 2.705 -0.864 1.00 0.00 N ATOM 0 H HIS A 18 7.214 3.453 3.561 1.00 0.00 H new ATOM 0 HA HIS A 18 6.741 5.956 1.981 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.918 3.749 3.057 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.295 5.244 2.388 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.115 5.802 -0.199 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.545 1.840 1.153 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.361 4.308 -2.269 1.00 0.00 H new ATOM 359 N THR A 19 6.245 7.373 3.967 1.00 0.00 N ATOM 360 CA THR A 19 5.992 8.211 5.170 1.00 0.00 C ATOM 361 C THR A 19 4.503 8.555 5.248 1.00 0.00 C ATOM 362 O THR A 19 3.990 8.900 6.294 1.00 0.00 O ATOM 363 CB THR A 19 6.809 9.502 5.078 1.00 0.00 C ATOM 364 OG1 THR A 19 6.339 10.282 3.987 1.00 0.00 O ATOM 365 CG2 THR A 19 8.285 9.159 4.863 1.00 0.00 C ATOM 0 H THR A 19 6.476 7.891 3.119 1.00 0.00 H new ATOM 0 HA THR A 19 6.286 7.659 6.063 1.00 0.00 H new ATOM 0 HB THR A 19 6.700 10.068 6.003 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.070 10.837 3.642 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.866 10.079 4.798 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.645 8.561 5.700 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.396 8.593 3.938 1.00 0.00 H new ATOM 373 N VAL A 20 3.805 8.466 4.145 1.00 0.00 N ATOM 374 CA VAL A 20 2.349 8.789 4.150 1.00 0.00 C ATOM 375 C VAL A 20 2.098 10.025 5.016 1.00 0.00 C ATOM 376 O VAL A 20 1.512 9.941 6.077 1.00 0.00 O ATOM 377 CB VAL A 20 1.565 7.606 4.714 1.00 0.00 C ATOM 378 CG1 VAL A 20 0.076 7.793 4.422 1.00 0.00 C ATOM 379 CG2 VAL A 20 2.055 6.315 4.056 1.00 0.00 C ATOM 0 H VAL A 20 4.182 8.183 3.241 1.00 0.00 H new ATOM 0 HA VAL A 20 2.022 8.990 3.130 1.00 0.00 H new ATOM 0 HB VAL A 20 1.718 7.548 5.792 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.483 6.948 4.825 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.273 8.714 4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.079 7.850 3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.497 5.468 4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.901 6.374 2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.117 6.181 4.264 1.00 0.00 H new ATOM 389 N GLU A 21 2.542 11.170 4.572 1.00 0.00 N ATOM 390 CA GLU A 21 2.336 12.416 5.365 1.00 0.00 C ATOM 391 C GLU A 21 1.422 13.369 4.592 1.00 0.00 C ATOM 392 O GLU A 21 1.335 13.316 3.382 1.00 0.00 O ATOM 393 CB GLU A 21 3.688 13.091 5.601 1.00 0.00 C ATOM 394 CG GLU A 21 4.598 12.154 6.397 1.00 0.00 C ATOM 395 CD GLU A 21 3.985 11.892 7.774 1.00 0.00 C ATOM 396 OE1 GLU A 21 3.129 12.663 8.177 1.00 0.00 O ATOM 397 OE2 GLU A 21 4.384 10.927 8.404 1.00 0.00 O ATOM 0 H GLU A 21 3.040 11.296 3.691 1.00 0.00 H new ATOM 0 HA GLU A 21 1.876 12.168 6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.152 13.341 4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.549 14.026 6.143 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.728 11.214 5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.588 12.598 6.507 1.00 0.00 H new ATOM 404 N LYS A 22 0.742 14.244 5.283 1.00 0.00 N ATOM 405 CA LYS A 22 -0.162 15.201 4.586 1.00 0.00 C ATOM 406 C LYS A 22 0.655 16.081 3.640 1.00 0.00 C ATOM 407 O LYS A 22 0.206 16.445 2.571 1.00 0.00 O ATOM 408 CB LYS A 22 -0.872 16.076 5.624 1.00 0.00 C ATOM 409 CG LYS A 22 0.144 16.998 6.304 1.00 0.00 C ATOM 410 CD LYS A 22 -0.541 17.763 7.439 1.00 0.00 C ATOM 411 CE LYS A 22 0.371 18.894 7.917 1.00 0.00 C ATOM 412 NZ LYS A 22 -0.391 19.797 8.823 1.00 0.00 N ATOM 0 H LYS A 22 0.774 14.337 6.298 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.904 14.649 4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.650 16.669 5.143 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.363 15.449 6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.976 16.413 6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.559 17.697 5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.492 18.170 7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.763 17.087 8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.235 18.483 8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.751 19.455 7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.229 20.566 9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.202 20.199 8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.733 19.257 9.644 1.00 0.00 H new ATOM 426 N GLY A 23 1.855 16.429 4.024 1.00 0.00 N ATOM 427 CA GLY A 23 2.698 17.287 3.144 1.00 0.00 C ATOM 428 C GLY A 23 4.177 17.004 3.415 1.00 0.00 C ATOM 429 O GLY A 23 5.038 17.809 3.117 1.00 0.00 O ATOM 0 H GLY A 23 2.286 16.156 4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.466 17.091 2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.479 18.339 3.327 1.00 0.00 H new ATOM 433 N GLY A 24 4.483 15.866 3.977 1.00 0.00 N ATOM 434 CA GLY A 24 5.908 15.534 4.263 1.00 0.00 C ATOM 435 C GLY A 24 6.647 15.272 2.950 1.00 0.00 C ATOM 436 O GLY A 24 6.042 15.107 1.910 1.00 0.00 O ATOM 0 H GLY A 24 3.808 15.152 4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.382 16.355 4.801 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.965 14.656 4.906 1.00 0.00 H new ATOM 440 N PRO A 25 7.948 15.237 3.008 1.00 0.00 N ATOM 441 CA PRO A 25 8.807 14.992 1.814 1.00 0.00 C ATOM 442 C PRO A 25 8.709 13.549 1.321 1.00 0.00 C ATOM 443 O PRO A 25 7.970 12.749 1.859 1.00 0.00 O ATOM 444 CB PRO A 25 10.221 15.279 2.318 1.00 0.00 C ATOM 445 CG PRO A 25 10.162 15.036 3.786 1.00 0.00 C ATOM 446 CD PRO A 25 8.751 15.423 4.225 1.00 0.00 C ATOM 0 HA PRO A 25 8.509 15.612 0.968 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.951 14.627 1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.518 16.305 2.099 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.369 13.991 4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.910 15.632 4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.397 14.791 5.040 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.710 16.453 4.579 1.00 0.00 H new ATOM 454 N HIS A 26 9.453 13.210 0.306 1.00 0.00 N ATOM 455 CA HIS A 26 9.409 11.818 -0.220 1.00 0.00 C ATOM 456 C HIS A 26 10.687 11.085 0.186 1.00 0.00 C ATOM 457 O HIS A 26 11.773 11.625 0.103 1.00 0.00 O ATOM 458 CB HIS A 26 9.313 11.854 -1.747 1.00 0.00 C ATOM 459 CG HIS A 26 7.997 12.449 -2.164 1.00 0.00 C ATOM 460 ND1 HIS A 26 6.865 11.671 -2.358 1.00 0.00 N ATOM 461 CD2 HIS A 26 7.618 13.739 -2.443 1.00 0.00 C ATOM 462 CE1 HIS A 26 5.870 12.490 -2.742 1.00 0.00 C ATOM 463 NE2 HIS A 26 6.277 13.759 -2.807 1.00 0.00 N ATOM 0 H HIS A 26 10.091 13.838 -0.183 1.00 0.00 H new ATOM 0 HA HIS A 26 8.541 11.301 0.189 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.134 12.442 -2.158 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.410 10.846 -2.150 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.262 14.604 -2.388 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.867 12.162 -2.969 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.721 14.573 -3.069 1.00 0.00 H new ATOM 472 N LYS A 27 10.570 9.859 0.623 1.00 0.00 N ATOM 473 CA LYS A 27 11.785 9.097 1.033 1.00 0.00 C ATOM 474 C LYS A 27 12.113 8.052 -0.037 1.00 0.00 C ATOM 475 O LYS A 27 12.216 8.363 -1.208 1.00 0.00 O ATOM 476 CB LYS A 27 11.525 8.402 2.371 1.00 0.00 C ATOM 477 CG LYS A 27 12.858 7.990 3.005 1.00 0.00 C ATOM 478 CD LYS A 27 12.592 7.239 4.310 1.00 0.00 C ATOM 479 CE LYS A 27 13.919 6.971 5.023 1.00 0.00 C ATOM 480 NZ LYS A 27 14.635 5.857 4.340 1.00 0.00 N ATOM 0 H LYS A 27 9.688 9.354 0.713 1.00 0.00 H new ATOM 0 HA LYS A 27 12.627 9.781 1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.984 9.071 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.896 7.525 2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.420 7.358 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.469 8.872 3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.934 7.825 4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.081 6.298 4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.535 7.870 5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.738 6.715 6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.468 5.584 4.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.998 5.040 4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.940 6.168 3.396 1.00 0.00 H new ATOM 494 N VAL A 28 12.278 6.816 0.349 1.00 0.00 N ATOM 495 CA VAL A 28 12.600 5.758 -0.650 1.00 0.00 C ATOM 496 C VAL A 28 11.440 5.616 -1.638 1.00 0.00 C ATOM 497 O VAL A 28 11.641 5.439 -2.822 1.00 0.00 O ATOM 498 CB VAL A 28 12.822 4.427 0.070 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.988 3.309 -0.962 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.085 4.518 0.929 1.00 0.00 C ATOM 0 H VAL A 28 12.204 6.493 1.314 1.00 0.00 H new ATOM 0 HA VAL A 28 13.505 6.034 -1.191 1.00 0.00 H new ATOM 0 HB VAL A 28 11.963 4.210 0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.146 2.361 -0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.090 3.244 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.847 3.525 -1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.245 3.570 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.943 4.735 0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.968 5.314 1.664 1.00 0.00 H new ATOM 510 N GLY A 29 10.227 5.694 -1.155 1.00 0.00 N ATOM 511 CA GLY A 29 9.047 5.565 -2.059 1.00 0.00 C ATOM 512 C GLY A 29 8.161 6.802 -1.915 1.00 0.00 C ATOM 513 O GLY A 29 8.296 7.569 -0.984 1.00 0.00 O ATOM 0 H GLY A 29 10.003 5.842 -0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.376 5.458 -3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.481 4.667 -1.811 1.00 0.00 H new ATOM 517 N PRO A 30 7.257 6.990 -2.837 1.00 0.00 N ATOM 518 CA PRO A 30 6.321 8.153 -2.828 1.00 0.00 C ATOM 519 C PRO A 30 5.391 8.131 -1.613 1.00 0.00 C ATOM 520 O PRO A 30 5.057 7.085 -1.098 1.00 0.00 O ATOM 521 CB PRO A 30 5.521 7.998 -4.125 1.00 0.00 C ATOM 522 CG PRO A 30 5.663 6.565 -4.515 1.00 0.00 C ATOM 523 CD PRO A 30 7.024 6.111 -3.991 1.00 0.00 C ATOM 0 HA PRO A 30 6.854 9.102 -2.766 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.474 8.261 -3.974 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.906 8.656 -4.904 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.861 5.964 -4.086 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.605 6.449 -5.597 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.012 5.061 -3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.803 6.224 -4.745 1.00 0.00 H new ATOM 531 N ASN A 31 4.968 9.276 -1.149 1.00 0.00 N ATOM 532 CA ASN A 31 4.063 9.309 0.034 1.00 0.00 C ATOM 533 C ASN A 31 2.627 9.017 -0.419 1.00 0.00 C ATOM 534 O ASN A 31 2.181 9.501 -1.440 1.00 0.00 O ATOM 535 CB ASN A 31 4.115 10.696 0.679 1.00 0.00 C ATOM 536 CG ASN A 31 5.572 11.118 0.893 1.00 0.00 C ATOM 537 OD1 ASN A 31 5.911 12.272 0.724 1.00 0.00 O ATOM 538 ND2 ASN A 31 6.456 10.229 1.258 1.00 0.00 N ATOM 0 H ASN A 31 5.210 10.188 -1.537 1.00 0.00 H new ATOM 0 HA ASN A 31 4.382 8.558 0.757 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.607 11.421 0.043 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.587 10.683 1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.428 10.505 1.400 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.175 9.259 1.401 1.00 0.00 H new ATOM 545 N LEU A 32 1.899 8.232 0.331 1.00 0.00 N ATOM 546 CA LEU A 32 0.494 7.917 -0.065 1.00 0.00 C ATOM 547 C LEU A 32 -0.477 8.825 0.694 1.00 0.00 C ATOM 548 O LEU A 32 -0.333 9.054 1.878 1.00 0.00 O ATOM 549 CB LEU A 32 0.177 6.457 0.265 1.00 0.00 C ATOM 550 CG LEU A 32 0.953 5.533 -0.675 1.00 0.00 C ATOM 551 CD1 LEU A 32 2.450 5.661 -0.402 1.00 0.00 C ATOM 552 CD2 LEU A 32 0.515 4.085 -0.437 1.00 0.00 C ATOM 0 H LEU A 32 2.215 7.797 1.198 1.00 0.00 H new ATOM 0 HA LEU A 32 0.385 8.082 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.442 6.243 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.893 6.276 0.166 1.00 0.00 H new ATOM 0 HG LEU A 32 0.749 5.814 -1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.000 5.001 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.763 6.692 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.657 5.381 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.066 3.424 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.720 3.808 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.553 3.991 -0.633 1.00 0.00 H new ATOM 564 N HIS A 33 -1.471 9.333 0.019 1.00 0.00 N ATOM 565 CA HIS A 33 -2.463 10.218 0.694 1.00 0.00 C ATOM 566 C HIS A 33 -3.679 10.388 -0.217 1.00 0.00 C ATOM 567 O HIS A 33 -3.662 11.161 -1.155 1.00 0.00 O ATOM 568 CB HIS A 33 -1.831 11.585 0.967 1.00 0.00 C ATOM 569 CG HIS A 33 -2.803 12.445 1.727 1.00 0.00 C ATOM 570 ND1 HIS A 33 -3.203 12.143 3.022 1.00 0.00 N ATOM 571 CD2 HIS A 33 -3.463 13.601 1.390 1.00 0.00 C ATOM 572 CE1 HIS A 33 -4.066 13.101 3.412 1.00 0.00 C ATOM 573 NE2 HIS A 33 -4.258 14.009 2.454 1.00 0.00 N ATOM 0 H HIS A 33 -1.640 9.173 -0.974 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.770 9.772 1.640 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.911 11.464 1.539 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.561 12.067 0.027 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.377 14.114 0.444 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.543 13.130 4.380 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.862 14.830 2.494 1.00 0.00 H new ATOM 582 N GLY A 34 -4.732 9.665 0.045 1.00 0.00 N ATOM 583 CA GLY A 34 -5.944 9.778 -0.814 1.00 0.00 C ATOM 584 C GLY A 34 -5.793 8.836 -2.008 1.00 0.00 C ATOM 585 O GLY A 34 -6.583 8.850 -2.930 1.00 0.00 O ATOM 0 H GLY A 34 -4.806 9.001 0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.836 9.522 -0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.069 10.805 -1.157 1.00 0.00 H new ATOM 589 N ILE A 35 -4.775 8.019 -1.993 1.00 0.00 N ATOM 590 CA ILE A 35 -4.555 7.070 -3.119 1.00 0.00 C ATOM 591 C ILE A 35 -5.767 6.148 -3.261 1.00 0.00 C ATOM 592 O ILE A 35 -6.007 5.582 -4.306 1.00 0.00 O ATOM 593 CB ILE A 35 -3.302 6.234 -2.841 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.856 5.531 -4.125 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.619 5.186 -1.774 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.435 4.994 -3.945 1.00 0.00 C ATOM 0 H ILE A 35 -4.083 7.969 -1.245 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.421 7.630 -4.045 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.503 6.886 -2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.538 4.714 -4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.890 6.226 -4.964 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.729 4.589 -1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.935 5.684 -0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.419 4.536 -2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.117 4.493 -4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.758 5.821 -3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.416 4.285 -3.117 1.00 0.00 H new ATOM 608 N PHE A 36 -6.531 5.990 -2.215 1.00 0.00 N ATOM 609 CA PHE A 36 -7.720 5.100 -2.293 1.00 0.00 C ATOM 610 C PHE A 36 -8.744 5.693 -3.261 1.00 0.00 C ATOM 611 O PHE A 36 -9.049 6.869 -3.216 1.00 0.00 O ATOM 612 CB PHE A 36 -8.344 4.978 -0.903 1.00 0.00 C ATOM 613 CG PHE A 36 -7.460 4.124 -0.025 1.00 0.00 C ATOM 614 CD1 PHE A 36 -6.436 4.712 0.730 1.00 0.00 C ATOM 615 CD2 PHE A 36 -7.671 2.741 0.036 1.00 0.00 C ATOM 616 CE1 PHE A 36 -5.623 3.912 1.544 1.00 0.00 C ATOM 617 CE2 PHE A 36 -6.858 1.945 0.849 1.00 0.00 C ATOM 618 CZ PHE A 36 -5.835 2.529 1.602 1.00 0.00 C ATOM 0 H PHE A 36 -6.382 6.439 -1.311 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.417 4.116 -2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.467 5.966 -0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.337 4.535 -0.977 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.274 5.779 0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.462 2.289 -0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.833 4.362 2.127 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.021 0.878 0.895 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.208 1.913 2.229 1.00 0.00 H new ATOM 628 N GLY A 37 -9.277 4.886 -4.139 1.00 0.00 N ATOM 629 CA GLY A 37 -10.282 5.400 -5.112 1.00 0.00 C ATOM 630 C GLY A 37 -9.579 6.277 -6.148 1.00 0.00 C ATOM 631 O GLY A 37 -10.199 7.083 -6.815 1.00 0.00 O ATOM 0 H GLY A 37 -9.059 3.893 -4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.787 4.569 -5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.048 5.975 -4.592 1.00 0.00 H new ATOM 635 N ARG A 38 -8.289 6.133 -6.284 1.00 0.00 N ATOM 636 CA ARG A 38 -7.544 6.963 -7.272 1.00 0.00 C ATOM 637 C ARG A 38 -6.560 6.087 -8.048 1.00 0.00 C ATOM 638 O ARG A 38 -6.241 4.986 -7.645 1.00 0.00 O ATOM 639 CB ARG A 38 -6.773 8.064 -6.536 1.00 0.00 C ATOM 640 CG ARG A 38 -7.736 8.920 -5.705 1.00 0.00 C ATOM 641 CD ARG A 38 -8.591 9.795 -6.626 1.00 0.00 C ATOM 642 NE ARG A 38 -9.288 10.833 -5.813 1.00 0.00 N ATOM 643 CZ ARG A 38 -10.383 11.385 -6.259 1.00 0.00 C ATOM 644 NH1 ARG A 38 -10.867 11.030 -7.417 1.00 0.00 N ATOM 645 NH2 ARG A 38 -10.993 12.292 -5.545 1.00 0.00 N ATOM 0 H ARG A 38 -7.718 5.475 -5.753 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.252 7.413 -7.968 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.019 7.618 -5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.245 8.691 -7.255 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.378 8.278 -5.102 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.173 9.547 -5.014 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.964 10.269 -7.381 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.320 9.182 -7.156 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.909 11.112 -4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.390 10.321 -7.974 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.723 11.461 -7.766 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.614 12.568 -4.639 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.849 12.724 -5.893 1.00 0.00 H new ATOM 659 N HIS A 39 -6.077 6.570 -9.160 1.00 0.00 N ATOM 660 CA HIS A 39 -5.116 5.772 -9.969 1.00 0.00 C ATOM 661 C HIS A 39 -3.686 6.084 -9.519 1.00 0.00 C ATOM 662 O HIS A 39 -3.432 7.084 -8.877 1.00 0.00 O ATOM 663 CB HIS A 39 -5.273 6.129 -11.447 1.00 0.00 C ATOM 664 CG HIS A 39 -6.633 5.700 -11.926 1.00 0.00 C ATOM 665 ND1 HIS A 39 -7.734 6.545 -11.881 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.086 4.520 -12.464 1.00 0.00 C ATOM 667 CE1 HIS A 39 -8.785 5.867 -12.379 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.443 4.631 -12.747 1.00 0.00 N ATOM 0 H HIS A 39 -6.308 7.486 -9.543 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.318 4.710 -9.828 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.148 7.203 -11.588 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.497 5.638 -12.035 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.482 3.642 -12.640 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.782 6.273 -12.469 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.050 3.917 -13.151 1.00 0.00 H new ATOM 677 N SER A 40 -2.754 5.231 -9.844 1.00 0.00 N ATOM 678 CA SER A 40 -1.342 5.473 -9.429 1.00 0.00 C ATOM 679 C SER A 40 -0.822 6.754 -10.084 1.00 0.00 C ATOM 680 O SER A 40 -1.214 7.108 -11.178 1.00 0.00 O ATOM 681 CB SER A 40 -0.476 4.293 -9.871 1.00 0.00 C ATOM 682 OG SER A 40 0.839 4.457 -9.355 1.00 0.00 O ATOM 0 H SER A 40 -2.908 4.376 -10.379 1.00 0.00 H new ATOM 0 HA SER A 40 -1.298 5.578 -8.345 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.906 3.357 -9.513 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.448 4.235 -10.959 1.00 0.00 H new ATOM 0 HG SER A 40 1.467 4.589 -10.096 1.00 0.00 H new ATOM 688 N GLY A 41 0.063 7.447 -9.423 1.00 0.00 N ATOM 689 CA GLY A 41 0.620 8.701 -10.002 1.00 0.00 C ATOM 690 C GLY A 41 -0.106 9.914 -9.416 1.00 0.00 C ATOM 691 O GLY A 41 0.302 11.042 -9.605 1.00 0.00 O ATOM 0 H GLY A 41 0.426 7.198 -8.503 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.687 8.767 -9.789 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.511 8.690 -11.087 1.00 0.00 H new ATOM 695 N GLN A 42 -1.180 9.697 -8.703 1.00 0.00 N ATOM 696 CA GLN A 42 -1.920 10.848 -8.111 1.00 0.00 C ATOM 697 C GLN A 42 -1.010 11.602 -7.139 1.00 0.00 C ATOM 698 O GLN A 42 -1.037 12.814 -7.062 1.00 0.00 O ATOM 699 CB GLN A 42 -3.153 10.341 -7.358 1.00 0.00 C ATOM 700 CG GLN A 42 -3.977 11.538 -6.882 1.00 0.00 C ATOM 701 CD GLN A 42 -5.121 11.056 -5.988 1.00 0.00 C ATOM 702 OE1 GLN A 42 -4.911 10.269 -5.086 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.328 11.502 -6.199 1.00 0.00 N ATOM 0 H GLN A 42 -1.574 8.777 -8.506 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.234 11.518 -8.912 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.755 9.705 -8.007 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.849 9.731 -6.507 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.342 12.233 -6.333 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.376 12.080 -7.739 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.502 12.162 -6.956 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.098 11.190 -5.607 1.00 0.00 H new ATOM 712 N ALA A 43 -0.203 10.896 -6.394 1.00 0.00 N ATOM 713 CA ALA A 43 0.704 11.575 -5.428 1.00 0.00 C ATOM 714 C ALA A 43 1.660 12.495 -6.187 1.00 0.00 C ATOM 715 O ALA A 43 2.092 13.512 -5.681 1.00 0.00 O ATOM 716 CB ALA A 43 1.509 10.529 -4.656 1.00 0.00 C ATOM 0 H ALA A 43 -0.133 9.879 -6.413 1.00 0.00 H new ATOM 0 HA ALA A 43 0.111 12.163 -4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.172 11.029 -3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.828 9.874 -4.113 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.102 9.938 -5.354 1.00 0.00 H new ATOM 722 N GLU A 44 1.996 12.143 -7.399 1.00 0.00 N ATOM 723 CA GLU A 44 2.928 12.995 -8.188 1.00 0.00 C ATOM 724 C GLU A 44 4.163 13.312 -7.341 1.00 0.00 C ATOM 725 O GLU A 44 4.254 12.926 -6.193 1.00 0.00 O ATOM 726 CB GLU A 44 2.226 14.297 -8.576 1.00 0.00 C ATOM 727 CG GLU A 44 1.021 13.983 -9.466 1.00 0.00 C ATOM 728 CD GLU A 44 0.364 15.289 -9.914 1.00 0.00 C ATOM 729 OE1 GLU A 44 0.745 16.328 -9.402 1.00 0.00 O ATOM 730 OE2 GLU A 44 -0.511 15.228 -10.763 1.00 0.00 O ATOM 0 H GLU A 44 1.665 11.304 -7.875 1.00 0.00 H new ATOM 0 HA GLU A 44 3.231 12.465 -9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.902 14.828 -7.681 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.919 14.953 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.338 13.406 -10.335 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.303 13.370 -8.921 1.00 0.00 H new ATOM 737 N GLY A 45 5.113 14.006 -7.898 1.00 0.00 N ATOM 738 CA GLY A 45 6.338 14.341 -7.118 1.00 0.00 C ATOM 739 C GLY A 45 7.281 13.137 -7.117 1.00 0.00 C ATOM 740 O GLY A 45 7.121 12.215 -7.891 1.00 0.00 O ATOM 0 H GLY A 45 5.096 14.356 -8.856 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.836 15.207 -7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.070 14.609 -6.096 1.00 0.00 H new ATOM 744 N TYR A 46 8.259 13.141 -6.248 1.00 0.00 N ATOM 745 CA TYR A 46 9.223 12.004 -6.184 1.00 0.00 C ATOM 746 C TYR A 46 9.509 11.488 -7.597 1.00 0.00 C ATOM 747 O TYR A 46 9.853 12.244 -8.484 1.00 0.00 O ATOM 748 CB TYR A 46 8.626 10.875 -5.333 1.00 0.00 C ATOM 749 CG TYR A 46 9.698 9.854 -5.018 1.00 0.00 C ATOM 750 CD1 TYR A 46 10.815 10.223 -4.257 1.00 0.00 C ATOM 751 CD2 TYR A 46 9.575 8.537 -5.484 1.00 0.00 C ATOM 752 CE1 TYR A 46 11.806 9.279 -3.964 1.00 0.00 C ATOM 753 CE2 TYR A 46 10.568 7.593 -5.190 1.00 0.00 C ATOM 754 CZ TYR A 46 11.684 7.966 -4.431 1.00 0.00 C ATOM 755 OH TYR A 46 12.662 7.036 -4.140 1.00 0.00 O ATOM 0 H TYR A 46 8.431 13.889 -5.576 1.00 0.00 H new ATOM 0 HA TYR A 46 10.155 12.345 -5.732 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.214 11.281 -4.409 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.803 10.400 -5.867 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.911 11.236 -3.896 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.714 8.250 -6.070 1.00 0.00 H new ATOM 0 HE1 TYR A 46 12.666 9.565 -3.377 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.473 6.579 -5.548 1.00 0.00 H new ATOM 0 HH TYR A 46 12.242 6.205 -3.835 1.00 0.00 H new ATOM 765 N SER A 47 9.364 10.211 -7.815 1.00 0.00 N ATOM 766 CA SER A 47 9.624 9.653 -9.170 1.00 0.00 C ATOM 767 C SER A 47 8.898 8.314 -9.319 1.00 0.00 C ATOM 768 O SER A 47 8.770 7.560 -8.376 1.00 0.00 O ATOM 769 CB SER A 47 11.128 9.441 -9.355 1.00 0.00 C ATOM 770 OG SER A 47 11.381 9.016 -10.687 1.00 0.00 O ATOM 0 H SER A 47 9.076 9.530 -7.113 1.00 0.00 H new ATOM 0 HA SER A 47 9.260 10.350 -9.925 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.666 10.366 -9.148 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.492 8.696 -8.648 1.00 0.00 H new ATOM 0 HG SER A 47 12.344 8.881 -10.810 1.00 0.00 H new ATOM 776 N TYR A 48 8.432 8.012 -10.503 1.00 0.00 N ATOM 777 CA TYR A 48 7.724 6.718 -10.726 1.00 0.00 C ATOM 778 C TYR A 48 8.544 5.850 -11.682 1.00 0.00 C ATOM 779 O TYR A 48 9.095 6.330 -12.651 1.00 0.00 O ATOM 780 CB TYR A 48 6.342 6.982 -11.327 1.00 0.00 C ATOM 781 CG TYR A 48 5.410 7.488 -10.250 1.00 0.00 C ATOM 782 CD1 TYR A 48 5.378 8.851 -9.933 1.00 0.00 C ATOM 783 CD2 TYR A 48 4.581 6.589 -9.567 1.00 0.00 C ATOM 784 CE1 TYR A 48 4.515 9.315 -8.932 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.720 7.053 -8.567 1.00 0.00 C ATOM 786 CZ TYR A 48 3.685 8.416 -8.249 1.00 0.00 C ATOM 787 OH TYR A 48 2.835 8.874 -7.263 1.00 0.00 O ATOM 0 H TYR A 48 8.512 8.608 -11.327 1.00 0.00 H new ATOM 0 HA TYR A 48 7.606 6.200 -9.774 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.417 7.715 -12.131 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.944 6.067 -11.766 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.018 9.544 -10.459 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.607 5.538 -9.812 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.489 10.366 -8.686 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.082 6.359 -8.040 1.00 0.00 H new ATOM 0 HH TYR A 48 2.329 8.121 -6.891 1.00 0.00 H new ATOM 797 N THR A 49 8.634 4.578 -11.410 1.00 0.00 N ATOM 798 CA THR A 49 9.425 3.680 -12.297 1.00 0.00 C ATOM 799 C THR A 49 8.603 3.315 -13.535 1.00 0.00 C ATOM 800 O THR A 49 7.399 3.468 -13.563 1.00 0.00 O ATOM 801 CB THR A 49 9.787 2.406 -11.533 1.00 0.00 C ATOM 802 OG1 THR A 49 8.606 1.660 -11.282 1.00 0.00 O ATOM 803 CG2 THR A 49 10.458 2.771 -10.208 1.00 0.00 C ATOM 0 H THR A 49 8.194 4.121 -10.611 1.00 0.00 H new ATOM 0 HA THR A 49 10.334 4.193 -12.610 1.00 0.00 H new ATOM 0 HB THR A 49 10.477 1.808 -12.128 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.382 1.713 -10.329 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.714 1.860 -9.667 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.365 3.343 -10.405 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.774 3.370 -9.607 1.00 0.00 H new ATOM 811 N ASP A 50 9.253 2.837 -14.558 1.00 0.00 N ATOM 812 CA ASP A 50 8.525 2.459 -15.805 1.00 0.00 C ATOM 813 C ASP A 50 7.462 1.403 -15.493 1.00 0.00 C ATOM 814 O ASP A 50 6.426 1.349 -16.126 1.00 0.00 O ATOM 815 CB ASP A 50 9.518 1.896 -16.820 1.00 0.00 C ATOM 816 CG ASP A 50 10.459 3.007 -17.286 1.00 0.00 C ATOM 817 OD1 ASP A 50 10.175 4.158 -16.997 1.00 0.00 O ATOM 818 OD2 ASP A 50 11.448 2.689 -17.926 1.00 0.00 O ATOM 0 H ASP A 50 10.262 2.690 -14.586 1.00 0.00 H new ATOM 0 HA ASP A 50 8.038 3.343 -16.217 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.091 1.084 -16.372 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.984 1.476 -17.672 1.00 0.00 H new ATOM 823 N ALA A 51 7.713 0.550 -14.542 1.00 0.00 N ATOM 824 CA ALA A 51 6.721 -0.516 -14.209 1.00 0.00 C ATOM 825 C ALA A 51 5.332 0.095 -13.982 1.00 0.00 C ATOM 826 O ALA A 51 4.452 -0.026 -14.812 1.00 0.00 O ATOM 827 CB ALA A 51 7.171 -1.250 -12.946 1.00 0.00 C ATOM 0 H ALA A 51 8.563 0.542 -13.978 1.00 0.00 H new ATOM 0 HA ALA A 51 6.662 -1.216 -15.042 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.449 -2.029 -12.701 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.148 -1.702 -13.117 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.238 -0.543 -12.119 1.00 0.00 H new ATOM 833 N ASN A 52 5.116 0.733 -12.862 1.00 0.00 N ATOM 834 CA ASN A 52 3.771 1.326 -12.592 1.00 0.00 C ATOM 835 C ASN A 52 3.355 2.247 -13.743 1.00 0.00 C ATOM 836 O ASN A 52 2.216 2.242 -14.166 1.00 0.00 O ATOM 837 CB ASN A 52 3.810 2.130 -11.288 1.00 0.00 C ATOM 838 CG ASN A 52 2.404 2.647 -10.961 1.00 0.00 C ATOM 839 OD1 ASN A 52 2.082 3.782 -11.256 1.00 0.00 O ATOM 840 ND2 ASN A 52 1.548 1.866 -10.353 1.00 0.00 N ATOM 0 H ASN A 52 5.808 0.869 -12.125 1.00 0.00 H new ATOM 0 HA ASN A 52 3.046 0.517 -12.502 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.177 1.505 -10.474 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.503 2.966 -11.385 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.614 2.210 -10.128 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.814 0.913 -10.104 1.00 0.00 H new ATOM 847 N ILE A 53 4.255 3.037 -14.259 1.00 0.00 N ATOM 848 CA ILE A 53 3.885 3.942 -15.378 1.00 0.00 C ATOM 849 C ILE A 53 3.393 3.112 -16.566 1.00 0.00 C ATOM 850 O ILE A 53 2.333 3.353 -17.108 1.00 0.00 O ATOM 851 CB ILE A 53 5.110 4.755 -15.788 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.563 5.620 -14.610 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.749 5.650 -16.967 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.884 6.307 -14.959 1.00 0.00 C ATOM 0 H ILE A 53 5.227 3.094 -13.954 1.00 0.00 H new ATOM 0 HA ILE A 53 3.090 4.616 -15.060 1.00 0.00 H new ATOM 0 HB ILE A 53 5.917 4.082 -16.075 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.803 6.366 -14.380 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.686 5.004 -13.719 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.622 6.232 -17.262 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.423 5.034 -17.805 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.943 6.325 -16.678 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.207 6.923 -14.120 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.642 5.553 -15.168 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.746 6.936 -15.839 1.00 0.00 H new ATOM 866 N LYS A 54 4.151 2.129 -16.967 1.00 0.00 N ATOM 867 CA LYS A 54 3.723 1.275 -18.111 1.00 0.00 C ATOM 868 C LYS A 54 2.406 0.588 -17.752 1.00 0.00 C ATOM 869 O LYS A 54 1.524 0.442 -18.574 1.00 0.00 O ATOM 870 CB LYS A 54 4.793 0.216 -18.388 1.00 0.00 C ATOM 871 CG LYS A 54 4.418 -0.571 -19.646 1.00 0.00 C ATOM 872 CD LYS A 54 5.452 -1.674 -19.886 1.00 0.00 C ATOM 873 CE LYS A 54 5.170 -2.356 -21.226 1.00 0.00 C ATOM 874 NZ LYS A 54 6.141 -1.867 -22.246 1.00 0.00 N ATOM 0 H LYS A 54 5.049 1.880 -16.552 1.00 0.00 H new ATOM 0 HA LYS A 54 3.588 1.890 -19.001 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.765 0.691 -18.520 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.881 -0.459 -17.537 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.425 -1.007 -19.533 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.377 0.097 -20.507 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.457 -1.251 -19.885 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.413 -2.405 -19.079 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.251 -3.438 -21.120 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.150 -2.143 -21.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.950 -2.330 -23.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.042 -0.837 -22.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.109 -2.092 -21.940 1.00 0.00 H new ATOM 888 N LYS A 55 2.270 0.173 -16.521 1.00 0.00 N ATOM 889 CA LYS A 55 1.015 -0.501 -16.085 1.00 0.00 C ATOM 890 C LYS A 55 0.354 0.334 -14.988 1.00 0.00 C ATOM 891 O LYS A 55 0.846 0.420 -13.881 1.00 0.00 O ATOM 892 CB LYS A 55 1.354 -1.888 -15.536 1.00 0.00 C ATOM 893 CG LYS A 55 0.072 -2.599 -15.096 1.00 0.00 C ATOM 894 CD LYS A 55 0.419 -3.978 -14.534 1.00 0.00 C ATOM 895 CE LYS A 55 -0.868 -4.752 -14.243 1.00 0.00 C ATOM 896 NZ LYS A 55 -0.527 -6.085 -13.671 1.00 0.00 N ATOM 0 H LYS A 55 2.979 0.273 -15.795 1.00 0.00 H new ATOM 0 HA LYS A 55 0.334 -0.600 -16.930 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.864 -2.477 -16.299 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.039 -1.798 -14.693 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.444 -2.006 -14.341 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.609 -2.700 -15.941 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.033 -4.528 -15.247 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.006 -3.873 -13.622 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.491 -4.193 -13.545 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.446 -4.874 -15.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.402 -6.612 -13.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.051 -6.617 -14.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.008 -5.957 -12.788 1.00 0.00 H new ATOM 910 N ASN A 56 -0.761 0.942 -15.281 1.00 0.00 N ATOM 911 CA ASN A 56 -1.447 1.763 -14.248 1.00 0.00 C ATOM 912 C ASN A 56 -2.566 0.939 -13.618 1.00 0.00 C ATOM 913 O ASN A 56 -3.272 0.216 -14.293 1.00 0.00 O ATOM 914 CB ASN A 56 -2.031 3.027 -14.880 1.00 0.00 C ATOM 915 CG ASN A 56 -2.522 3.956 -13.769 1.00 0.00 C ATOM 916 OD1 ASN A 56 -3.708 4.196 -13.639 1.00 0.00 O ATOM 917 ND2 ASN A 56 -1.654 4.485 -12.949 1.00 0.00 N ATOM 0 H ASN A 56 -1.225 0.906 -16.189 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.727 2.055 -13.483 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.276 3.529 -15.485 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.854 2.769 -15.547 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.970 5.100 -12.199 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.660 4.283 -13.059 1.00 0.00 H new ATOM 924 N VAL A 57 -2.720 1.031 -12.329 1.00 0.00 N ATOM 925 CA VAL A 57 -3.780 0.241 -11.643 1.00 0.00 C ATOM 926 C VAL A 57 -4.600 1.152 -10.728 1.00 0.00 C ATOM 927 O VAL A 57 -4.091 2.092 -10.152 1.00 0.00 O ATOM 928 CB VAL A 57 -3.119 -0.850 -10.807 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.223 -0.199 -9.753 1.00 0.00 C ATOM 930 CG2 VAL A 57 -4.198 -1.685 -10.114 1.00 0.00 C ATOM 0 H VAL A 57 -2.156 1.621 -11.717 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.441 -0.204 -12.387 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.521 -1.495 -11.450 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.747 -0.973 -9.151 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.457 0.399 -10.246 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.825 0.442 -9.109 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.726 -2.465 -9.516 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.795 -1.043 -9.467 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.842 -2.143 -10.865 1.00 0.00 H new ATOM 940 N LEU A 58 -5.865 0.868 -10.581 1.00 0.00 N ATOM 941 CA LEU A 58 -6.718 1.705 -9.693 1.00 0.00 C ATOM 942 C LEU A 58 -6.461 1.302 -8.243 1.00 0.00 C ATOM 943 O LEU A 58 -6.453 0.134 -7.907 1.00 0.00 O ATOM 944 CB LEU A 58 -8.193 1.473 -10.036 1.00 0.00 C ATOM 945 CG LEU A 58 -9.079 2.315 -9.114 1.00 0.00 C ATOM 946 CD1 LEU A 58 -8.824 3.799 -9.368 1.00 0.00 C ATOM 947 CD2 LEU A 58 -10.549 1.995 -9.394 1.00 0.00 C ATOM 0 H LEU A 58 -6.344 0.092 -11.038 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.479 2.759 -9.833 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.380 1.738 -11.077 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.439 0.417 -9.927 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.844 2.083 -8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.457 4.395 -8.710 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.777 4.027 -9.169 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.056 4.036 -10.406 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.183 2.593 -8.739 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.780 2.227 -10.434 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.733 0.937 -9.209 1.00 0.00 H new ATOM 959 N TRP A 59 -6.243 2.254 -7.381 1.00 0.00 N ATOM 960 CA TRP A 59 -5.981 1.907 -5.960 1.00 0.00 C ATOM 961 C TRP A 59 -7.274 1.989 -5.153 1.00 0.00 C ATOM 962 O TRP A 59 -7.948 3.000 -5.124 1.00 0.00 O ATOM 963 CB TRP A 59 -4.944 2.870 -5.383 1.00 0.00 C ATOM 964 CG TRP A 59 -3.609 2.551 -5.969 1.00 0.00 C ATOM 965 CD1 TRP A 59 -2.927 3.336 -6.831 1.00 0.00 C ATOM 966 CD2 TRP A 59 -2.790 1.366 -5.759 1.00 0.00 C ATOM 967 NE1 TRP A 59 -1.739 2.708 -7.164 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.610 1.490 -6.529 1.00 0.00 C ATOM 969 CE3 TRP A 59 -2.957 0.207 -4.983 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.630 0.497 -6.529 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -1.973 -0.792 -4.979 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.811 -0.647 -5.751 1.00 0.00 C ATOM 0 H TRP A 59 -6.235 3.251 -7.598 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.598 0.888 -5.904 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.219 3.900 -5.610 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -4.910 2.781 -4.297 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.255 4.297 -7.200 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.044 3.098 -7.801 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.849 0.085 -4.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.262 0.613 -7.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.111 -1.679 -4.378 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.057 -1.420 -5.743 1.00 0.00 H new ATOM 983 N ASP A 60 -7.609 0.918 -4.493 1.00 0.00 N ATOM 984 CA ASP A 60 -8.843 0.881 -3.666 1.00 0.00 C ATOM 985 C ASP A 60 -8.633 -0.134 -2.544 1.00 0.00 C ATOM 986 O ASP A 60 -7.702 -0.916 -2.573 1.00 0.00 O ATOM 987 CB ASP A 60 -10.032 0.455 -4.531 1.00 0.00 C ATOM 988 CG ASP A 60 -11.331 0.657 -3.748 1.00 0.00 C ATOM 989 OD1 ASP A 60 -11.263 1.192 -2.656 1.00 0.00 O ATOM 990 OD2 ASP A 60 -12.371 0.271 -4.257 1.00 0.00 O ATOM 0 H ASP A 60 -7.070 0.052 -4.492 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.048 1.867 -3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.054 1.040 -5.451 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.928 -0.591 -4.821 1.00 0.00 H new ATOM 995 N GLU A 61 -9.474 -0.138 -1.549 1.00 0.00 N ATOM 996 CA GLU A 61 -9.284 -1.110 -0.438 1.00 0.00 C ATOM 997 C GLU A 61 -9.225 -2.527 -1.013 1.00 0.00 C ATOM 998 O GLU A 61 -8.441 -3.350 -0.585 1.00 0.00 O ATOM 999 CB GLU A 61 -10.459 -1.003 0.534 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.482 0.396 1.149 1.00 0.00 C ATOM 1001 CD GLU A 61 -11.622 0.489 2.164 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -12.400 -0.447 2.239 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -11.698 1.497 2.847 1.00 0.00 O ATOM 0 H GLU A 61 -10.278 0.483 -1.457 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.355 -0.890 0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.396 -1.199 0.012 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.367 -1.755 1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.530 0.606 1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.614 1.146 0.369 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.044 -2.815 -1.987 1.00 0.00 N ATOM 1011 CA ASN A 62 -10.029 -4.174 -2.597 1.00 0.00 C ATOM 1012 C ASN A 62 -8.737 -4.384 -3.394 1.00 0.00 C ATOM 1013 O ASN A 62 -8.081 -5.401 -3.275 1.00 0.00 O ATOM 1014 CB ASN A 62 -11.224 -4.314 -3.541 1.00 0.00 C ATOM 1015 CG ASN A 62 -11.205 -5.701 -4.184 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -11.705 -6.652 -3.619 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -10.637 -5.855 -5.348 1.00 0.00 N ATOM 0 H ASN A 62 -10.723 -2.167 -2.387 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.085 -4.919 -1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.154 -4.169 -2.992 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.185 -3.544 -4.311 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.612 -6.776 -5.786 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.218 -5.054 -5.821 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.382 -3.440 -4.220 1.00 0.00 N ATOM 1025 CA ASN A 63 -7.148 -3.588 -5.044 1.00 0.00 C ATOM 1026 C ASN A 63 -5.912 -3.714 -4.150 1.00 0.00 C ATOM 1027 O ASN A 63 -5.021 -4.497 -4.420 1.00 0.00 O ATOM 1028 CB ASN A 63 -7.001 -2.369 -5.954 1.00 0.00 C ATOM 1029 CG ASN A 63 -5.906 -2.635 -6.989 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -6.025 -3.535 -7.798 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -4.839 -1.885 -7.000 1.00 0.00 N ATOM 0 H ASN A 63 -8.894 -2.569 -4.361 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.233 -4.493 -5.645 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.946 -2.159 -6.455 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.751 -1.488 -5.363 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.104 -2.053 -7.687 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.739 -1.130 -6.321 1.00 0.00 H new ATOM 1038 N MET A 64 -5.840 -2.953 -3.094 1.00 0.00 N ATOM 1039 CA MET A 64 -4.648 -3.043 -2.205 1.00 0.00 C ATOM 1040 C MET A 64 -4.528 -4.460 -1.647 1.00 0.00 C ATOM 1041 O MET A 64 -3.444 -4.983 -1.489 1.00 0.00 O ATOM 1042 CB MET A 64 -4.780 -2.043 -1.055 1.00 0.00 C ATOM 1043 CG MET A 64 -4.648 -0.623 -1.606 1.00 0.00 C ATOM 1044 SD MET A 64 -4.578 0.562 -0.243 1.00 0.00 S ATOM 1045 CE MET A 64 -4.449 2.054 -1.258 1.00 0.00 C ATOM 0 H MET A 64 -6.549 -2.277 -2.809 1.00 0.00 H new ATOM 0 HA MET A 64 -3.753 -2.807 -2.781 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.743 -2.166 -0.559 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.010 -2.228 -0.306 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.748 -0.542 -2.216 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.494 -0.395 -2.254 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.094 2.882 -0.644 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.747 1.880 -2.074 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.428 2.301 -1.668 1.00 0.00 H new ATOM 1055 N SER A 65 -5.630 -5.090 -1.349 1.00 0.00 N ATOM 1056 CA SER A 65 -5.560 -6.476 -0.807 1.00 0.00 C ATOM 1057 C SER A 65 -4.857 -7.378 -1.824 1.00 0.00 C ATOM 1058 O SER A 65 -4.020 -8.187 -1.476 1.00 0.00 O ATOM 1059 CB SER A 65 -6.975 -6.997 -0.552 1.00 0.00 C ATOM 1060 OG SER A 65 -7.661 -6.093 0.306 1.00 0.00 O ATOM 0 H SER A 65 -6.570 -4.709 -1.456 1.00 0.00 H new ATOM 0 HA SER A 65 -5.002 -6.476 0.130 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.512 -7.100 -1.495 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.934 -7.987 -0.098 1.00 0.00 H new ATOM 0 HG SER A 65 -7.922 -5.296 -0.200 1.00 0.00 H new ATOM 1066 N GLU A 66 -5.182 -7.239 -3.081 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.524 -8.080 -4.118 1.00 0.00 C ATOM 1068 C GLU A 66 -3.052 -7.679 -4.234 1.00 0.00 C ATOM 1069 O GLU A 66 -2.188 -8.495 -4.483 1.00 0.00 O ATOM 1070 CB GLU A 66 -5.223 -7.859 -5.460 1.00 0.00 C ATOM 1071 CG GLU A 66 -6.662 -8.369 -5.377 1.00 0.00 C ATOM 1072 CD GLU A 66 -7.340 -8.206 -6.739 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -6.749 -7.579 -7.603 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -8.438 -8.714 -6.897 1.00 0.00 O ATOM 0 H GLU A 66 -5.875 -6.579 -3.433 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.592 -9.132 -3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.216 -6.799 -5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.686 -8.381 -6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.671 -9.417 -5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.212 -7.815 -4.616 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.767 -6.418 -4.057 1.00 0.00 N ATOM 1082 CA HIS A 67 -1.359 -5.938 -4.155 1.00 0.00 C ATOM 1083 C HIS A 67 -0.490 -6.687 -3.142 1.00 0.00 C ATOM 1084 O HIS A 67 0.594 -7.139 -3.449 1.00 0.00 O ATOM 1085 CB HIS A 67 -1.334 -4.438 -3.852 1.00 0.00 C ATOM 1086 CG HIS A 67 0.048 -3.884 -4.065 1.00 0.00 C ATOM 1087 ND1 HIS A 67 0.667 -3.889 -5.307 1.00 0.00 N ATOM 1088 CD2 HIS A 67 0.938 -3.283 -3.208 1.00 0.00 C ATOM 1089 CE1 HIS A 67 1.874 -3.311 -5.162 1.00 0.00 C ATOM 1090 NE2 HIS A 67 2.084 -2.925 -3.905 1.00 0.00 N ATOM 0 H HIS A 67 -3.454 -5.694 -3.847 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.969 -6.121 -5.156 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.044 -3.919 -4.495 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.649 -4.263 -2.823 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.278 -4.263 -6.173 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.772 -3.115 -2.154 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.584 -3.177 -5.965 1.00 0.00 H new ATOM 1099 N LEU A 68 -0.962 -6.816 -1.936 1.00 0.00 N ATOM 1100 CA LEU A 68 -0.178 -7.531 -0.892 1.00 0.00 C ATOM 1101 C LEU A 68 -0.089 -9.022 -1.226 1.00 0.00 C ATOM 1102 O LEU A 68 0.862 -9.688 -0.873 1.00 0.00 O ATOM 1103 CB LEU A 68 -0.865 -7.346 0.461 1.00 0.00 C ATOM 1104 CG LEU A 68 -0.981 -5.853 0.776 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -1.642 -5.662 2.141 1.00 0.00 C ATOM 1106 CD2 LEU A 68 0.414 -5.229 0.800 1.00 0.00 C ATOM 0 H LEU A 68 -1.864 -6.454 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 68 0.831 -7.121 -0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.855 -7.803 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.295 -7.850 1.242 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.587 -5.371 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.722 -4.597 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.637 -6.106 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.038 -6.146 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.333 -4.165 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.017 -5.716 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.888 -5.360 -0.173 1.00 0.00 H new ATOM 1118 N THR A 69 -1.075 -9.557 -1.889 1.00 0.00 N ATOM 1119 CA THR A 69 -1.047 -11.012 -2.222 1.00 0.00 C ATOM 1120 C THR A 69 0.209 -11.354 -3.034 1.00 0.00 C ATOM 1121 O THR A 69 0.802 -12.400 -2.858 1.00 0.00 O ATOM 1122 CB THR A 69 -2.290 -11.374 -3.036 1.00 0.00 C ATOM 1123 OG1 THR A 69 -3.451 -10.927 -2.348 1.00 0.00 O ATOM 1124 CG2 THR A 69 -2.356 -12.891 -3.217 1.00 0.00 C ATOM 0 H THR A 69 -1.899 -9.052 -2.215 1.00 0.00 H new ATOM 0 HA THR A 69 -1.033 -11.582 -1.293 1.00 0.00 H new ATOM 0 HB THR A 69 -2.239 -10.894 -4.013 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.249 -11.157 -2.869 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.242 -13.150 -3.797 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.465 -13.234 -3.743 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.409 -13.372 -2.240 1.00 0.00 H new ATOM 1132 N ASN A 70 0.618 -10.492 -3.926 1.00 0.00 N ATOM 1133 CA ASN A 70 1.831 -10.790 -4.743 1.00 0.00 C ATOM 1134 C ASN A 70 2.344 -9.504 -5.398 1.00 0.00 C ATOM 1135 O ASN A 70 2.291 -9.343 -6.601 1.00 0.00 O ATOM 1136 CB ASN A 70 1.472 -11.806 -5.831 1.00 0.00 C ATOM 1137 CG ASN A 70 1.407 -13.207 -5.221 1.00 0.00 C ATOM 1138 OD1 ASN A 70 0.347 -13.792 -5.127 1.00 0.00 O ATOM 1139 ND2 ASN A 70 2.504 -13.773 -4.800 1.00 0.00 N ATOM 0 H ASN A 70 0.168 -9.599 -4.124 1.00 0.00 H new ATOM 0 HA ASN A 70 2.608 -11.200 -4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.513 -11.549 -6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.215 -11.779 -6.628 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.472 -14.707 -4.392 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.394 -13.281 -4.879 1.00 0.00 H new ATOM 1146 N PRO A 71 2.836 -8.598 -4.601 1.00 0.00 N ATOM 1147 CA PRO A 71 3.374 -7.296 -5.087 1.00 0.00 C ATOM 1148 C PRO A 71 4.410 -7.464 -6.206 1.00 0.00 C ATOM 1149 O PRO A 71 4.586 -6.592 -7.033 1.00 0.00 O ATOM 1150 CB PRO A 71 4.043 -6.675 -3.859 1.00 0.00 C ATOM 1151 CG PRO A 71 3.517 -7.405 -2.665 1.00 0.00 C ATOM 1152 CD PRO A 71 2.920 -8.729 -3.145 1.00 0.00 C ATOM 0 HA PRO A 71 2.577 -6.684 -5.510 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.127 -6.767 -3.922 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.817 -5.611 -3.792 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.316 -7.586 -1.946 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.760 -6.808 -2.156 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.549 -9.572 -2.860 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.937 -8.901 -2.706 1.00 0.00 H new ATOM 1160 N ALA A 72 5.103 -8.569 -6.236 1.00 0.00 N ATOM 1161 CA ALA A 72 6.130 -8.769 -7.301 1.00 0.00 C ATOM 1162 C ALA A 72 5.453 -8.757 -8.673 1.00 0.00 C ATOM 1163 O ALA A 72 5.720 -7.905 -9.499 1.00 0.00 O ATOM 1164 CB ALA A 72 6.827 -10.115 -7.091 1.00 0.00 C ATOM 0 H ALA A 72 5.005 -9.339 -5.574 1.00 0.00 H new ATOM 0 HA ALA A 72 6.865 -7.966 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.577 -10.262 -7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.310 -10.126 -6.114 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.091 -10.918 -7.141 1.00 0.00 H new ATOM 1170 N LYS A 73 4.575 -9.687 -8.920 1.00 0.00 N ATOM 1171 CA LYS A 73 3.876 -9.722 -10.236 1.00 0.00 C ATOM 1172 C LYS A 73 3.074 -8.433 -10.415 1.00 0.00 C ATOM 1173 O LYS A 73 2.857 -7.969 -11.516 1.00 0.00 O ATOM 1174 CB LYS A 73 2.929 -10.924 -10.275 1.00 0.00 C ATOM 1175 CG LYS A 73 3.742 -12.217 -10.198 1.00 0.00 C ATOM 1176 CD LYS A 73 2.806 -13.419 -10.357 1.00 0.00 C ATOM 1177 CE LYS A 73 3.599 -14.711 -10.158 1.00 0.00 C ATOM 1178 NZ LYS A 73 4.703 -14.777 -11.158 1.00 0.00 N ATOM 0 H LYS A 73 4.310 -10.425 -8.268 1.00 0.00 H new ATOM 0 HA LYS A 73 4.608 -9.810 -11.039 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.226 -10.874 -9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.340 -10.907 -11.192 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.502 -12.228 -10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.265 -12.274 -9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.996 -13.361 -9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.348 -13.409 -11.346 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.007 -14.748 -9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.942 -15.574 -10.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.804 -15.754 -11.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.483 -14.152 -11.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.592 -14.471 -10.714 1.00 0.00 H new ATOM 1192 N TYR A 74 2.621 -7.862 -9.335 1.00 0.00 N ATOM 1193 CA TYR A 74 1.815 -6.611 -9.419 1.00 0.00 C ATOM 1194 C TYR A 74 2.628 -5.512 -10.124 1.00 0.00 C ATOM 1195 O TYR A 74 2.152 -4.878 -11.044 1.00 0.00 O ATOM 1196 CB TYR A 74 1.470 -6.173 -7.995 1.00 0.00 C ATOM 1197 CG TYR A 74 0.412 -5.094 -8.007 1.00 0.00 C ATOM 1198 CD1 TYR A 74 -0.945 -5.438 -7.965 1.00 0.00 C ATOM 1199 CD2 TYR A 74 0.789 -3.751 -8.033 1.00 0.00 C ATOM 1200 CE1 TYR A 74 -1.920 -4.432 -7.946 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -0.180 -2.748 -8.018 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.534 -3.087 -7.973 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.485 -2.090 -7.943 1.00 0.00 O ATOM 0 H TYR A 74 2.776 -8.211 -8.389 1.00 0.00 H new ATOM 0 HA TYR A 74 0.904 -6.786 -9.991 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.116 -7.030 -7.422 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.366 -5.804 -7.496 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.239 -6.477 -7.947 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.836 -3.487 -8.065 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.967 -4.694 -7.911 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.117 -1.710 -8.041 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.296 -1.480 -7.199 1.00 0.00 H new ATOM 1213 N ILE A 75 3.854 -5.289 -9.712 1.00 0.00 N ATOM 1214 CA ILE A 75 4.687 -4.234 -10.375 1.00 0.00 C ATOM 1215 C ILE A 75 6.131 -4.725 -10.530 1.00 0.00 C ATOM 1216 O ILE A 75 7.016 -4.314 -9.806 1.00 0.00 O ATOM 1217 CB ILE A 75 4.694 -2.961 -9.531 1.00 0.00 C ATOM 1218 CG1 ILE A 75 4.873 -3.328 -8.054 1.00 0.00 C ATOM 1219 CG2 ILE A 75 3.387 -2.193 -9.730 1.00 0.00 C ATOM 1220 CD1 ILE A 75 5.085 -2.055 -7.238 1.00 0.00 C ATOM 0 H ILE A 75 4.312 -5.789 -8.950 1.00 0.00 H new ATOM 0 HA ILE A 75 4.259 -4.025 -11.355 1.00 0.00 H new ATOM 0 HB ILE A 75 5.522 -2.325 -9.844 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.995 -3.863 -7.692 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.726 -3.996 -7.935 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.401 -1.287 -9.124 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.279 -1.925 -10.781 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.548 -2.819 -9.427 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.213 -2.314 -6.187 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.976 -1.538 -7.595 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.218 -1.403 -7.349 1.00 0.00 H new ATOM 1232 N PRO A 76 6.363 -5.595 -11.466 1.00 0.00 N ATOM 1233 CA PRO A 76 7.718 -6.157 -11.732 1.00 0.00 C ATOM 1234 C PRO A 76 8.704 -5.099 -12.250 1.00 0.00 C ATOM 1235 O PRO A 76 8.369 -4.281 -13.081 1.00 0.00 O ATOM 1236 CB PRO A 76 7.480 -7.228 -12.809 1.00 0.00 C ATOM 1237 CG PRO A 76 5.999 -7.418 -12.896 1.00 0.00 C ATOM 1238 CD PRO A 76 5.356 -6.135 -12.377 1.00 0.00 C ATOM 0 HA PRO A 76 8.166 -6.549 -10.819 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.888 -6.911 -13.769 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.976 -8.162 -12.545 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.695 -7.614 -13.924 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.684 -8.276 -12.301 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.134 -5.441 -13.187 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.416 -6.336 -11.863 1.00 0.00 H new ATOM 1246 N GLY A 77 9.924 -5.127 -11.778 1.00 0.00 N ATOM 1247 CA GLY A 77 10.935 -4.141 -12.259 1.00 0.00 C ATOM 1248 C GLY A 77 11.052 -2.960 -11.288 1.00 0.00 C ATOM 1249 O GLY A 77 11.905 -2.109 -11.443 1.00 0.00 O ATOM 0 H GLY A 77 10.263 -5.790 -11.081 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.904 -4.629 -12.363 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.653 -3.778 -13.247 1.00 0.00 H new ATOM 1253 N THR A 78 10.208 -2.889 -10.296 1.00 0.00 N ATOM 1254 CA THR A 78 10.293 -1.749 -9.336 1.00 0.00 C ATOM 1255 C THR A 78 11.249 -2.086 -8.191 1.00 0.00 C ATOM 1256 O THR A 78 11.599 -3.229 -7.973 1.00 0.00 O ATOM 1257 CB THR A 78 8.905 -1.454 -8.771 1.00 0.00 C ATOM 1258 OG1 THR A 78 8.451 -2.573 -8.022 1.00 0.00 O ATOM 1259 CG2 THR A 78 7.943 -1.174 -9.921 1.00 0.00 C ATOM 0 H THR A 78 9.468 -3.565 -10.108 1.00 0.00 H new ATOM 0 HA THR A 78 10.670 -0.873 -9.863 1.00 0.00 H new ATOM 0 HB THR A 78 8.950 -0.582 -8.118 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.957 -3.181 -8.610 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.951 -0.963 -9.522 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.296 -0.314 -10.490 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.894 -2.045 -10.574 1.00 0.00 H new ATOM 1267 N LYS A 79 11.670 -1.091 -7.459 1.00 0.00 N ATOM 1268 CA LYS A 79 12.603 -1.331 -6.323 1.00 0.00 C ATOM 1269 C LYS A 79 11.800 -1.709 -5.076 1.00 0.00 C ATOM 1270 O LYS A 79 12.346 -1.909 -4.011 1.00 0.00 O ATOM 1271 CB LYS A 79 13.393 -0.051 -6.041 1.00 0.00 C ATOM 1272 CG LYS A 79 14.177 0.354 -7.291 1.00 0.00 C ATOM 1273 CD LYS A 79 15.100 1.527 -6.957 1.00 0.00 C ATOM 1274 CE LYS A 79 14.260 2.743 -6.558 1.00 0.00 C ATOM 1275 NZ LYS A 79 14.886 3.981 -7.104 1.00 0.00 N ATOM 0 H LYS A 79 11.406 -0.116 -7.601 1.00 0.00 H new ATOM 0 HA LYS A 79 13.287 -2.140 -6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.714 0.751 -5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.076 -0.210 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.762 -0.490 -7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.490 0.634 -8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.772 1.254 -6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.723 1.769 -7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.244 2.638 -6.940 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.188 2.808 -5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.315 4.807 -6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.847 4.083 -6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.933 3.918 -8.141 1.00 0.00 H new ATOM 1289 N MET A 80 10.503 -1.800 -5.200 1.00 0.00 N ATOM 1290 CA MET A 80 9.666 -2.157 -4.020 1.00 0.00 C ATOM 1291 C MET A 80 9.670 -3.671 -3.817 1.00 0.00 C ATOM 1292 O MET A 80 9.390 -4.433 -4.723 1.00 0.00 O ATOM 1293 CB MET A 80 8.231 -1.672 -4.246 1.00 0.00 C ATOM 1294 CG MET A 80 7.360 -2.097 -3.063 1.00 0.00 C ATOM 1295 SD MET A 80 5.781 -1.211 -3.118 1.00 0.00 S ATOM 1296 CE MET A 80 4.737 -2.589 -2.586 1.00 0.00 C ATOM 0 H MET A 80 9.988 -1.643 -6.066 1.00 0.00 H new ATOM 0 HA MET A 80 10.077 -1.678 -3.131 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.214 -0.587 -4.353 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.836 -2.090 -5.172 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.186 -3.173 -3.095 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.874 -1.885 -2.126 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.770 -2.207 -2.258 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.592 -3.278 -3.418 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.219 -3.113 -1.761 1.00 0.00 H new ATOM 1306 N ALA A 81 9.982 -4.114 -2.628 1.00 0.00 N ATOM 1307 CA ALA A 81 10.003 -5.577 -2.350 1.00 0.00 C ATOM 1308 C ALA A 81 9.214 -5.861 -1.071 1.00 0.00 C ATOM 1309 O ALA A 81 9.759 -5.910 0.013 1.00 0.00 O ATOM 1310 CB ALA A 81 11.446 -6.045 -2.168 1.00 0.00 C ATOM 0 H ALA A 81 10.224 -3.521 -1.834 1.00 0.00 H new ATOM 0 HA ALA A 81 9.552 -6.111 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.458 -7.116 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.012 -5.842 -3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.899 -5.512 -1.332 1.00 0.00 H new ATOM 1316 N PHE A 82 7.932 -6.046 -1.194 1.00 0.00 N ATOM 1317 CA PHE A 82 7.091 -6.327 0.003 1.00 0.00 C ATOM 1318 C PHE A 82 6.750 -7.819 0.044 1.00 0.00 C ATOM 1319 O PHE A 82 6.334 -8.397 -0.939 1.00 0.00 O ATOM 1320 CB PHE A 82 5.806 -5.502 -0.084 1.00 0.00 C ATOM 1321 CG PHE A 82 4.947 -5.747 1.135 1.00 0.00 C ATOM 1322 CD1 PHE A 82 5.122 -4.971 2.286 1.00 0.00 C ATOM 1323 CD2 PHE A 82 3.966 -6.744 1.107 1.00 0.00 C ATOM 1324 CE1 PHE A 82 4.314 -5.191 3.409 1.00 0.00 C ATOM 1325 CE2 PHE A 82 3.162 -6.967 2.227 1.00 0.00 C ATOM 1326 CZ PHE A 82 3.333 -6.190 3.377 1.00 0.00 C ATOM 0 H PHE A 82 7.425 -6.015 -2.079 1.00 0.00 H new ATOM 0 HA PHE A 82 7.633 -6.059 0.910 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.050 -4.442 -0.160 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.255 -5.767 -0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.880 -4.202 2.309 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.830 -7.342 0.218 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.447 -4.592 4.297 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.408 -7.740 2.205 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.708 -6.360 4.241 1.00 0.00 H new ATOM 1336 N GLY A 83 6.931 -8.447 1.174 1.00 0.00 N ATOM 1337 CA GLY A 83 6.624 -9.902 1.275 1.00 0.00 C ATOM 1338 C GLY A 83 5.115 -10.119 1.150 1.00 0.00 C ATOM 1339 O GLY A 83 4.323 -9.338 1.641 1.00 0.00 O ATOM 0 H GLY A 83 7.278 -8.016 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.146 -10.449 0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.980 -10.294 2.228 1.00 0.00 H new ATOM 1343 N GLY A 84 4.709 -11.175 0.500 1.00 0.00 N ATOM 1344 CA GLY A 84 3.252 -11.440 0.347 1.00 0.00 C ATOM 1345 C GLY A 84 2.693 -11.992 1.662 1.00 0.00 C ATOM 1346 O GLY A 84 3.362 -12.715 2.375 1.00 0.00 O ATOM 0 H GLY A 84 5.324 -11.865 0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.731 -10.522 0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.084 -12.153 -0.460 1.00 0.00 H new ATOM 1350 N LEU A 85 1.475 -11.657 1.991 1.00 0.00 N ATOM 1351 CA LEU A 85 0.881 -12.164 3.261 1.00 0.00 C ATOM 1352 C LEU A 85 -0.010 -13.371 2.961 1.00 0.00 C ATOM 1353 O LEU A 85 -0.802 -13.355 2.039 1.00 0.00 O ATOM 1354 CB LEU A 85 0.038 -11.060 3.901 1.00 0.00 C ATOM 1355 CG LEU A 85 0.879 -9.792 4.041 1.00 0.00 C ATOM 1356 CD1 LEU A 85 0.053 -8.706 4.728 1.00 0.00 C ATOM 1357 CD2 LEU A 85 2.123 -10.090 4.882 1.00 0.00 C ATOM 0 H LEU A 85 0.866 -11.055 1.436 1.00 0.00 H new ATOM 0 HA LEU A 85 1.678 -12.460 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.842 -10.860 3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.320 -11.382 4.879 1.00 0.00 H new ATOM 0 HG LEU A 85 1.183 -9.450 3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.653 -7.801 4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.833 -8.490 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.251 -9.051 5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.721 -9.184 4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.820 -10.434 5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.715 -10.864 4.394 1.00 0.00 H new ATOM 1369 N LYS A 86 0.113 -14.418 3.729 1.00 0.00 N ATOM 1370 CA LYS A 86 -0.730 -15.622 3.482 1.00 0.00 C ATOM 1371 C LYS A 86 -1.992 -15.562 4.346 1.00 0.00 C ATOM 1372 O LYS A 86 -2.870 -16.393 4.228 1.00 0.00 O ATOM 1373 CB LYS A 86 0.067 -16.880 3.833 1.00 0.00 C ATOM 1374 CG LYS A 86 1.311 -16.961 2.948 1.00 0.00 C ATOM 1375 CD LYS A 86 1.986 -18.321 3.138 1.00 0.00 C ATOM 1376 CE LYS A 86 2.483 -18.448 4.577 1.00 0.00 C ATOM 1377 NZ LYS A 86 3.632 -19.396 4.625 1.00 0.00 N ATOM 0 H LYS A 86 0.759 -14.492 4.515 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.017 -15.649 2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.356 -16.858 4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.551 -17.766 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.036 -16.823 1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.005 -16.160 3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.282 -19.122 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.820 -18.425 2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.787 -17.472 4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.678 -18.803 5.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.970 -19.482 5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.327 -20.329 4.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.402 -19.039 4.023 1.00 0.00 H new ATOM 1391 N LYS A 87 -2.092 -14.589 5.216 1.00 0.00 N ATOM 1392 CA LYS A 87 -3.299 -14.486 6.087 1.00 0.00 C ATOM 1393 C LYS A 87 -4.129 -13.268 5.668 1.00 0.00 C ATOM 1394 O LYS A 87 -3.668 -12.145 5.709 1.00 0.00 O ATOM 1395 CB LYS A 87 -2.862 -14.334 7.546 1.00 0.00 C ATOM 1396 CG LYS A 87 -4.075 -14.512 8.462 1.00 0.00 C ATOM 1397 CD LYS A 87 -3.643 -14.338 9.919 1.00 0.00 C ATOM 1398 CE LYS A 87 -4.796 -14.726 10.844 1.00 0.00 C ATOM 1399 NZ LYS A 87 -4.849 -13.782 11.997 1.00 0.00 N ATOM 0 H LYS A 87 -1.390 -13.863 5.360 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.903 -15.387 5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.099 -15.074 7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.415 -13.352 7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.845 -13.782 8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.512 -15.500 8.317 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.771 -14.959 10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.349 -13.304 10.101 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.739 -14.702 10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.661 -15.747 11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.601 -14.076 12.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.935 -13.789 12.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.048 -12.822 11.651 1.00 0.00 H new ATOM 1413 N GLU A 88 -5.348 -13.488 5.261 1.00 0.00 N ATOM 1414 CA GLU A 88 -6.216 -12.353 4.832 1.00 0.00 C ATOM 1415 C GLU A 88 -6.588 -11.479 6.035 1.00 0.00 C ATOM 1416 O GLU A 88 -6.748 -10.281 5.912 1.00 0.00 O ATOM 1417 CB GLU A 88 -7.491 -12.905 4.194 1.00 0.00 C ATOM 1418 CG GLU A 88 -7.138 -13.661 2.913 1.00 0.00 C ATOM 1419 CD GLU A 88 -8.421 -14.161 2.244 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -9.466 -14.061 2.864 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -8.335 -14.635 1.124 1.00 0.00 O ATOM 0 H GLU A 88 -5.783 -14.409 5.206 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.671 -11.745 4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.000 -13.570 4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.179 -12.090 3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.591 -13.009 2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.484 -14.502 3.143 1.00 0.00 H new ATOM 1428 N LYS A 89 -6.745 -12.064 7.192 1.00 0.00 N ATOM 1429 CA LYS A 89 -7.129 -11.256 8.385 1.00 0.00 C ATOM 1430 C LYS A 89 -6.095 -10.156 8.627 1.00 0.00 C ATOM 1431 O LYS A 89 -6.419 -8.986 8.678 1.00 0.00 O ATOM 1432 CB LYS A 89 -7.183 -12.163 9.615 1.00 0.00 C ATOM 1433 CG LYS A 89 -7.789 -11.394 10.791 1.00 0.00 C ATOM 1434 CD LYS A 89 -7.785 -12.280 12.038 1.00 0.00 C ATOM 1435 CE LYS A 89 -8.533 -11.572 13.169 1.00 0.00 C ATOM 1436 NZ LYS A 89 -8.934 -12.570 14.200 1.00 0.00 N ATOM 0 H LYS A 89 -6.625 -13.062 7.362 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.105 -10.805 8.208 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.780 -13.049 9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.181 -12.508 9.870 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.218 -10.484 10.977 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.808 -11.088 10.553 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.258 -13.237 11.818 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.760 -12.493 12.343 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.898 -10.807 13.616 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.414 -11.066 12.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.443 -12.089 14.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.554 -13.285 13.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.085 -13.034 14.583 1.00 0.00 H new ATOM 1450 N ASP A 90 -4.854 -10.521 8.777 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.802 -9.495 9.012 1.00 0.00 C ATOM 1452 C ASP A 90 -3.721 -8.560 7.807 1.00 0.00 C ATOM 1453 O ASP A 90 -3.534 -7.366 7.944 1.00 0.00 O ATOM 1454 CB ASP A 90 -2.456 -10.191 9.214 1.00 0.00 C ATOM 1455 CG ASP A 90 -2.472 -10.971 10.530 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -3.393 -10.765 11.305 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -1.566 -11.756 10.742 1.00 0.00 O ATOM 0 H ASP A 90 -4.522 -11.485 8.747 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.049 -8.914 9.901 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.256 -10.866 8.382 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.653 -9.454 9.226 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.854 -9.094 6.626 1.00 0.00 N ATOM 1463 CA ARG A 91 -3.779 -8.244 5.405 1.00 0.00 C ATOM 1464 C ARG A 91 -4.856 -7.159 5.460 1.00 0.00 C ATOM 1465 O ARG A 91 -4.618 -6.017 5.119 1.00 0.00 O ATOM 1466 CB ARG A 91 -4.003 -9.122 4.172 1.00 0.00 C ATOM 1467 CG ARG A 91 -3.772 -8.297 2.907 1.00 0.00 C ATOM 1468 CD ARG A 91 -4.135 -9.134 1.679 1.00 0.00 C ATOM 1469 NE ARG A 91 -3.273 -10.349 1.633 1.00 0.00 N ATOM 1470 CZ ARG A 91 -3.551 -11.314 0.801 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -4.585 -11.217 0.010 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -2.796 -12.378 0.760 1.00 0.00 N ATOM 0 H ARG A 91 -4.012 -10.087 6.453 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.799 -7.770 5.351 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.324 -9.974 4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.017 -9.522 4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.378 -7.391 2.935 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.730 -7.982 2.851 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.186 -9.422 1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.001 -8.545 0.772 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.466 -10.426 2.252 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.176 -10.386 0.043 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.802 -11.972 -0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.989 -12.455 1.379 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.013 -13.133 0.109 1.00 0.00 H new ATOM 1486 N ASN A 92 -6.044 -7.506 5.879 1.00 0.00 N ATOM 1487 CA ASN A 92 -7.133 -6.496 5.947 1.00 0.00 C ATOM 1488 C ASN A 92 -6.754 -5.368 6.907 1.00 0.00 C ATOM 1489 O ASN A 92 -7.038 -4.211 6.662 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.412 -7.168 6.443 1.00 0.00 C ATOM 1491 CG ASN A 92 -8.956 -8.106 5.364 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -8.471 -8.117 4.250 1.00 0.00 O ATOM 1493 ND2 ASN A 92 -9.958 -8.894 5.647 1.00 0.00 N ATOM 0 H ASN A 92 -6.305 -8.446 6.177 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.290 -6.078 4.953 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.209 -7.728 7.356 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.158 -6.413 6.691 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.333 -9.518 4.933 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.365 -8.885 6.582 1.00 0.00 H new ATOM 1500 N ASP A 93 -6.127 -5.690 8.004 1.00 0.00 N ATOM 1501 CA ASP A 93 -5.747 -4.637 8.978 1.00 0.00 C ATOM 1502 C ASP A 93 -4.769 -3.652 8.333 1.00 0.00 C ATOM 1503 O ASP A 93 -4.827 -2.461 8.574 1.00 0.00 O ATOM 1504 CB ASP A 93 -5.089 -5.294 10.190 1.00 0.00 C ATOM 1505 CG ASP A 93 -6.109 -6.187 10.901 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -7.288 -6.040 10.627 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -5.692 -7.002 11.708 1.00 0.00 O ATOM 0 H ASP A 93 -5.862 -6.640 8.266 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.639 -4.093 9.290 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.229 -5.885 9.875 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.718 -4.531 10.874 1.00 0.00 H new ATOM 1512 N LEU A 94 -3.863 -4.133 7.525 1.00 0.00 N ATOM 1513 CA LEU A 94 -2.881 -3.213 6.885 1.00 0.00 C ATOM 1514 C LEU A 94 -3.607 -2.165 6.035 1.00 0.00 C ATOM 1515 O LEU A 94 -3.299 -0.992 6.091 1.00 0.00 O ATOM 1516 CB LEU A 94 -1.928 -4.017 5.999 1.00 0.00 C ATOM 1517 CG LEU A 94 -0.883 -3.079 5.392 1.00 0.00 C ATOM 1518 CD1 LEU A 94 -0.075 -2.420 6.511 1.00 0.00 C ATOM 1519 CD2 LEU A 94 0.062 -3.876 4.492 1.00 0.00 C ATOM 0 H LEU A 94 -3.761 -5.118 7.282 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.316 -2.704 7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.438 -4.794 6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.486 -4.518 5.208 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.388 -2.313 4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.669 -1.752 6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.744 -1.849 7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.426 -3.189 7.099 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.805 -3.206 4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.564 -4.644 5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.509 -4.347 3.692 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.570 -2.571 5.251 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.302 -1.580 4.411 1.00 0.00 C ATOM 1533 C ILE A 95 -6.090 -0.642 5.327 1.00 0.00 C ATOM 1534 O ILE A 95 -6.156 0.552 5.110 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.262 -2.309 3.471 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.488 -3.357 2.667 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -6.895 -1.302 2.507 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.465 -4.182 1.826 1.00 0.00 C ATOM 0 H ILE A 95 -4.879 -3.538 5.156 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.592 -1.005 3.816 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.042 -2.797 4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.758 -2.869 2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.932 -4.009 3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.580 -1.821 1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.443 -0.550 3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.113 -0.817 1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.913 -4.928 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.177 -4.682 2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.002 -3.524 1.142 1.00 0.00 H new ATOM 1550 N THR A 96 -6.690 -1.183 6.351 1.00 0.00 N ATOM 1551 CA THR A 96 -7.481 -0.351 7.295 1.00 0.00 C ATOM 1552 C THR A 96 -6.587 0.727 7.920 1.00 0.00 C ATOM 1553 O THR A 96 -7.005 1.849 8.123 1.00 0.00 O ATOM 1554 CB THR A 96 -8.046 -1.245 8.401 1.00 0.00 C ATOM 1555 OG1 THR A 96 -8.720 -2.350 7.813 1.00 0.00 O ATOM 1556 CG2 THR A 96 -9.029 -0.447 9.255 1.00 0.00 C ATOM 0 H THR A 96 -6.664 -2.178 6.575 1.00 0.00 H new ATOM 0 HA THR A 96 -8.296 0.131 6.754 1.00 0.00 H new ATOM 0 HB THR A 96 -7.231 -1.604 9.029 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.066 -3.032 7.554 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.430 -1.086 10.042 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.514 0.402 9.704 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.845 -0.087 8.629 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.362 0.398 8.238 1.00 0.00 N ATOM 1565 CA TYR A 97 -4.464 1.415 8.858 1.00 0.00 C ATOM 1566 C TYR A 97 -4.310 2.606 7.907 1.00 0.00 C ATOM 1567 O TYR A 97 -4.537 3.743 8.279 1.00 0.00 O ATOM 1568 CB TYR A 97 -3.092 0.790 9.124 1.00 0.00 C ATOM 1569 CG TYR A 97 -2.220 1.781 9.855 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -2.347 1.938 11.240 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.285 2.546 9.149 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -1.539 2.858 11.918 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -0.477 3.466 9.825 1.00 0.00 C ATOM 1574 CZ TYR A 97 -0.604 3.622 11.212 1.00 0.00 C ATOM 1575 OH TYR A 97 0.193 4.529 11.879 1.00 0.00 O ATOM 0 H TYR A 97 -4.948 -0.523 8.096 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.895 1.756 9.799 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.203 -0.118 9.716 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.623 0.502 8.183 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.069 1.349 11.786 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.187 2.426 8.080 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.638 2.978 12.987 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.244 4.056 9.279 1.00 0.00 H new ATOM 0 HH TYR A 97 0.787 4.975 11.240 1.00 0.00 H new ATOM 1585 N LEU A 98 -3.954 2.359 6.678 1.00 0.00 N ATOM 1586 CA LEU A 98 -3.819 3.481 5.710 1.00 0.00 C ATOM 1587 C LEU A 98 -5.200 4.076 5.468 1.00 0.00 C ATOM 1588 O LEU A 98 -5.352 5.261 5.248 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.238 2.965 4.390 1.00 0.00 C ATOM 1590 CG LEU A 98 -1.806 2.476 4.611 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.243 1.942 3.293 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -0.940 3.642 5.093 1.00 0.00 C ATOM 0 H LEU A 98 -3.751 1.432 6.303 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.148 4.241 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.854 2.153 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.250 3.758 3.642 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.803 1.683 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.222 1.593 3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.860 1.115 2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.245 2.737 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.081 3.296 5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.943 4.432 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.341 4.030 6.030 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.210 3.254 5.513 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.590 3.758 5.294 1.00 0.00 C ATOM 1606 C LYS A 99 -7.880 4.867 6.307 1.00 0.00 C ATOM 1607 O LYS A 99 -8.453 5.887 5.983 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.580 2.611 5.509 1.00 0.00 C ATOM 1609 CG LYS A 99 -9.982 3.055 5.101 1.00 0.00 C ATOM 1610 CD LYS A 99 -10.990 1.961 5.467 1.00 0.00 C ATOM 1611 CE LYS A 99 -12.405 2.423 5.111 1.00 0.00 C ATOM 1612 NZ LYS A 99 -12.338 3.458 4.042 1.00 0.00 N ATOM 0 H LYS A 99 -6.137 2.253 5.693 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.689 4.146 4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.278 1.743 4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.575 2.306 6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.241 3.986 5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.015 3.252 4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.752 1.041 4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.927 1.737 6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.001 1.575 4.774 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.899 2.829 5.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.302 3.722 3.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.842 4.298 4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.823 3.078 3.222 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.477 4.671 7.534 1.00 0.00 N ATOM 1627 CA LYS A 100 -7.717 5.708 8.575 1.00 0.00 C ATOM 1628 C LYS A 100 -7.020 7.003 8.168 1.00 0.00 C ATOM 1629 O LYS A 100 -7.533 8.089 8.356 1.00 0.00 O ATOM 1630 CB LYS A 100 -7.148 5.221 9.911 1.00 0.00 C ATOM 1631 CG LYS A 100 -7.454 6.243 11.012 1.00 0.00 C ATOM 1632 CD LYS A 100 -8.958 6.263 11.288 1.00 0.00 C ATOM 1633 CE LYS A 100 -9.211 6.782 12.704 1.00 0.00 C ATOM 1634 NZ LYS A 100 -8.887 5.711 13.690 1.00 0.00 N ATOM 0 H LYS A 100 -6.991 3.835 7.859 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.787 5.887 8.676 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.580 4.254 10.170 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.071 5.076 9.826 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.910 5.987 11.921 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.117 7.234 10.707 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.463 6.899 10.561 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.372 5.261 11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.599 7.664 12.894 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.252 7.087 12.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.360 5.916 14.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.216 4.794 13.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.858 5.675 13.838 1.00 0.00 H new ATOM 1648 N ALA A 101 -5.849 6.891 7.612 1.00 0.00 N ATOM 1649 CA ALA A 101 -5.100 8.108 7.190 1.00 0.00 C ATOM 1650 C ALA A 101 -5.935 8.899 6.181 1.00 0.00 C ATOM 1651 O ALA A 101 -5.853 10.110 6.108 1.00 0.00 O ATOM 1652 CB ALA A 101 -3.778 7.693 6.544 1.00 0.00 C ATOM 0 H ALA A 101 -5.375 6.006 7.430 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.900 8.731 8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.229 8.582 6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.182 7.131 7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.979 7.069 5.673 1.00 0.00 H new ATOM 1658 N THR A 102 -6.736 8.230 5.398 1.00 0.00 N ATOM 1659 CA THR A 102 -7.572 8.952 4.396 1.00 0.00 C ATOM 1660 C THR A 102 -8.618 9.799 5.121 1.00 0.00 C ATOM 1661 O THR A 102 -9.115 10.774 4.593 1.00 0.00 O ATOM 1662 CB THR A 102 -8.276 7.938 3.492 1.00 0.00 C ATOM 1663 OG1 THR A 102 -9.223 7.202 4.254 1.00 0.00 O ATOM 1664 CG2 THR A 102 -7.245 6.979 2.895 1.00 0.00 C ATOM 0 H THR A 102 -6.848 7.216 5.408 1.00 0.00 H new ATOM 0 HA THR A 102 -6.936 9.598 3.791 1.00 0.00 H new ATOM 0 HB THR A 102 -8.787 8.465 2.687 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.772 6.458 4.706 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.749 6.258 2.252 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.520 7.543 2.309 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.731 6.451 3.698 1.00 0.00 H new ATOM 1672 N GLU A 103 -8.958 9.438 6.328 1.00 0.00 N ATOM 1673 CA GLU A 103 -9.972 10.225 7.085 1.00 0.00 C ATOM 1674 C GLU A 103 -9.346 11.534 7.568 1.00 0.00 C ATOM 1675 O GLU A 103 -9.979 12.570 7.578 1.00 0.00 O ATOM 1676 CB GLU A 103 -10.452 9.412 8.290 1.00 0.00 C ATOM 1677 CG GLU A 103 -11.593 10.155 8.986 1.00 0.00 C ATOM 1678 CD GLU A 103 -12.005 9.393 10.248 1.00 0.00 C ATOM 1679 OE1 GLU A 103 -11.392 8.375 10.528 1.00 0.00 O ATOM 1680 OE2 GLU A 103 -12.926 9.840 10.912 1.00 0.00 O ATOM 0 H GLU A 103 -8.577 8.632 6.823 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.819 10.447 6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.789 8.427 7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.629 9.254 8.987 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.278 11.166 9.245 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.444 10.250 8.312 1.00 0.00 H new TER 1687 GLU A 103 HETATM 1688 FE HEC A 201 5.614 0.903 -1.936 1.00 0.00 FE HETATM 1689 CHA HEC A 201 5.147 2.546 -4.862 1.00 0.00 C HETATM 1690 CHB HEC A 201 2.269 0.500 -1.637 1.00 0.00 C HETATM 1691 CHC HEC A 201 6.074 -0.699 0.999 1.00 0.00 C HETATM 1692 CHD HEC A 201 8.962 1.268 -2.275 1.00 0.00 C HETATM 1693 NA HEC A 201 4.054 1.413 -3.006 1.00 0.00 N HETATM 1694 C1A HEC A 201 4.030 2.097 -4.205 1.00 0.00 C HETATM 1695 C2A HEC A 201 2.682 2.255 -4.699 1.00 0.00 C HETATM 1696 C3A HEC A 201 1.870 1.745 -3.745 1.00 0.00 C HETATM 1697 C4A HEC A 201 2.727 1.174 -2.739 1.00 0.00 C HETATM 1698 CMA HEC A 201 0.398 1.947 -3.640 1.00 0.00 C HETATM 1699 CAA HEC A 201 2.284 2.600 -6.094 1.00 0.00 C HETATM 1700 CBA HEC A 201 2.604 4.056 -6.448 1.00 0.00 C HETATM 1701 CGA HEC A 201 1.305 4.861 -6.555 1.00 0.00 C HETATM 1702 O1A HEC A 201 1.291 5.988 -6.085 1.00 0.00 O HETATM 1703 O2A HEC A 201 0.350 4.342 -7.107 1.00 0.00 O HETATM 1704 NB HEC A 201 4.430 0.072 -0.612 1.00 0.00 N HETATM 1705 C1B HEC A 201 3.058 -0.022 -0.642 1.00 0.00 C HETATM 1706 C2B HEC A 201 2.542 -0.736 0.503 1.00 0.00 C HETATM 1707 C3B HEC A 201 3.616 -0.968 1.321 1.00 0.00 C HETATM 1708 C4B HEC A 201 4.779 -0.536 0.572 1.00 0.00 C HETATM 1709 CMB HEC A 201 1.218 -1.423 0.543 1.00 0.00 C HETATM 1710 CAB HEC A 201 3.599 -1.239 2.806 1.00 0.00 C HETATM 1711 CBB HEC A 201 2.331 -1.915 3.335 1.00 0.00 C HETATM 1712 NC HEC A 201 7.173 0.395 -0.871 1.00 0.00 N HETATM 1713 C1C HEC A 201 7.193 -0.277 0.328 1.00 0.00 C HETATM 1714 C2C HEC A 201 8.539 -0.512 0.783 1.00 0.00 C HETATM 1715 C3C HEC A 201 9.355 0.127 -0.084 1.00 0.00 C HETATM 1716 C4C HEC A 201 8.506 0.624 -1.146 1.00 0.00 C HETATM 1717 CMC HEC A 201 8.961 -1.546 1.768 1.00 0.00 C HETATM 1718 CAC HEC A 201 10.777 0.492 0.177 1.00 0.00 C HETATM 1719 CBC HEC A 201 11.744 -0.674 -0.041 1.00 0.00 C HETATM 1720 ND HEC A 201 6.790 1.731 -3.264 1.00 0.00 N HETATM 1721 C1D HEC A 201 8.165 1.782 -3.266 1.00 0.00 C HETATM 1722 C2D HEC A 201 8.671 2.426 -4.453 1.00 0.00 C HETATM 1723 C3D HEC A 201 7.592 2.867 -5.133 1.00 0.00 C HETATM 1724 C4D HEC A 201 6.436 2.379 -4.427 1.00 0.00 C HETATM 1725 CMD HEC A 201 10.051 2.311 -4.996 1.00 0.00 C HETATM 1726 CAD HEC A 201 7.597 3.855 -6.245 1.00 0.00 C HETATM 1727 CBD HEC A 201 7.295 3.205 -7.598 1.00 0.00 C HETATM 1728 CGD HEC A 201 6.288 4.060 -8.372 1.00 0.00 C HETATM 1729 O1D HEC A 201 6.474 4.222 -9.566 1.00 0.00 O HETATM 1730 O2D HEC A 201 5.347 4.537 -7.759 1.00 0.00 O HETATM 0 HMD3 HEC A 201 10.765 2.671 -4.255 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 10.265 1.268 -5.229 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 10.136 2.910 -5.903 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 8.454 -1.373 2.717 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 8.699 -2.535 1.392 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.039 -1.488 1.917 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 0.425 -0.696 0.364 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 1.184 -2.193 -0.227 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 1.076 -1.882 1.521 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 0.183 3.011 -3.536 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 -0.087 1.565 -4.539 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 0.019 1.413 -2.768 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 8.214 3.099 -8.174 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 6.895 2.202 -7.449 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 11.484 -1.492 0.630 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 11.675 -1.016 -1.074 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 12.763 -0.345 0.165 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 1.468 -1.283 3.127 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 2.201 -2.879 2.844 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 2.420 -2.065 4.411 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 3.251 4.491 -5.686 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 3.148 4.099 -7.391 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 6.858 4.630 -6.043 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 8.569 4.345 -6.289 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 2.799 1.938 -6.790 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 1.215 2.425 -6.218 1.00 0.00 H new HETATM 0 HHD HEC A 201 10.040 1.378 -2.390 1.00 0.00 H new HETATM 0 HHC HEC A 201 6.225 -1.207 1.952 1.00 0.00 H new HETATM 0 HHB HEC A 201 1.191 0.368 -1.543 1.00 0.00 H new HETATM 0 HHA HEC A 201 4.998 3.076 -5.802 1.00 0.00 H new