USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 883 hydrogens (36 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 110 HECFE :(H bumps) USER MOD NoAdj-H: A 105 IMD HN3 : A 105 IMD N3 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 70 ASN : amide:sc= -0.0366 K(o=0.077,f=-8.9!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ 149:sc= 0.114 (180deg=-0.421) USER MOD Set 2.1: A 55 LYS NZ :NH3+ 162:sc= 1.87 (180deg=-0.142) USER MOD Set 2.2: A 67 TYR OH : rot -156:sc= 2.32 USER MOD Set 2.3: A 110 HEC O2D : rot 60:sc= -0.0782! USER MOD Set 3.1: A 52 ASN : amide:sc= -0.888 K(o=-0.89,f=-3.9!) USER MOD Set 3.2: A 110 HEC O2A : rot 150:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0446 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -145:sc= 0.867 (180deg=-0.327) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 174:sc= -0.0528 (180deg=-0.103) USER MOD Single : A 12 GLN : amide:sc= -0.0905 X(o=-0.09,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0218) USER MOD Single : A 16 GLN : amide:sc= -0.044 K(o=-0.044,f=-1.3!) USER MOD Single : A 19 THR OG1 : rot -130:sc=-0.00332 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0432 X(o=-0.043,f=-0.048) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.037 USER MOD Single : A 31 ASN : amide:sc= -0.944 K(o=-0.94,f=-5.2!) USER MOD Single : A 33 HIS : no HE2:sc= 0.491 K(o=0.49,f=-4.1!) USER MOD Single : A 39 LYS NZ :NH3+ 147:sc= 0.552 (180deg=0.142) USER MOD Single : A 40 THR OG1 : rot 80:sc= 0.793 USER MOD Single : A 42 GLN : amide:sc= 0.202 K(o=0.2,f=-5.7!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00691 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -142:sc= 1.12 (180deg=-0.0981!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -169:sc= 0 (180deg=-0.227) USER MOD Single : A 73 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00918) USER MOD Single : A 74 TYR OH : rot 118:sc= -0.232 USER MOD Single : A 78 THR OG1 : rot -170:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 157:sc= -0.82 (180deg=-1.86) USER MOD Single : A 80 MET CE :methyl 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot -96:sc= 1.31 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -70:sc= 1.28 USER MOD Single : A 103 ASN : amide:sc= -0.224 K(o=-0.22,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.145 -3.561 -15.994 1.00 10.00 N ATOM 2 CA GLY A 1 -3.898 -3.672 -15.257 1.00 10.00 C ATOM 3 C GLY A 1 -3.423 -5.103 -15.461 1.00 10.00 C ATOM 4 O GLY A 1 -4.220 -6.017 -15.258 1.00 10.00 O ATOM 0 H1 GLY A 1 -5.824 -2.996 -15.445 1.00 10.00 H new ATOM 0 H2 GLY A 1 -4.968 -3.098 -16.908 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.537 -4.510 -16.157 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.161 -2.959 -15.626 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -4.048 -3.457 -14.199 1.00 10.00 H new ATOM 10 N ASP A 2 -2.202 -5.289 -15.944 1.00 10.00 N ATOM 11 CA ASP A 2 -1.575 -6.595 -16.086 1.00 10.00 C ATOM 12 C ASP A 2 -1.152 -7.145 -14.723 1.00 10.00 C ATOM 13 O ASP A 2 -0.413 -6.493 -13.987 1.00 10.00 O ATOM 14 CB ASP A 2 -0.324 -6.489 -16.952 1.00 10.00 C ATOM 15 CG ASP A 2 0.337 -7.849 -17.140 1.00 10.00 C ATOM 16 OD1 ASP A 2 -0.312 -8.875 -16.836 1.00 10.00 O ATOM 17 OD2 ASP A 2 1.537 -7.842 -17.481 1.00 10.00 O ATOM 0 H ASP A 2 -1.608 -4.520 -16.254 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.305 -7.260 -16.547 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.587 -6.073 -17.924 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.383 -5.800 -16.490 1.00 10.00 H new ATOM 22 N VAL A 3 -1.561 -8.372 -14.413 1.00 10.00 N ATOM 23 CA VAL A 3 -1.088 -9.094 -13.245 1.00 10.00 C ATOM 24 C VAL A 3 0.408 -9.387 -13.360 1.00 10.00 C ATOM 25 O VAL A 3 1.114 -9.285 -12.359 1.00 10.00 O ATOM 26 CB VAL A 3 -1.915 -10.382 -13.072 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.386 -11.263 -11.931 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.383 -10.031 -12.797 1.00 10.00 C ATOM 0 H VAL A 3 -2.236 -8.894 -14.973 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.223 -8.479 -12.355 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.828 -10.945 -14.001 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.001 -12.159 -11.848 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.355 -11.549 -12.140 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.426 -10.707 -10.994 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.960 -10.948 -12.676 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.450 -9.437 -11.886 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.783 -9.458 -13.634 1.00 10.00 H new ATOM 38 N GLU A 4 0.907 -9.761 -14.541 1.00 10.00 N ATOM 39 CA GLU A 4 2.309 -10.135 -14.664 1.00 10.00 C ATOM 40 C GLU A 4 3.193 -8.923 -14.419 1.00 10.00 C ATOM 41 O GLU A 4 4.012 -8.915 -13.497 1.00 10.00 O ATOM 42 CB GLU A 4 2.601 -10.770 -16.028 1.00 10.00 C ATOM 43 CG GLU A 4 2.532 -12.305 -15.931 1.00 10.00 C ATOM 44 CD GLU A 4 3.637 -12.885 -15.043 1.00 10.00 C ATOM 45 OE1 GLU A 4 4.802 -12.844 -15.492 1.00 10.00 O ATOM 46 OE2 GLU A 4 3.316 -13.330 -13.915 1.00 10.00 O ATOM 0 H GLU A 4 0.370 -9.811 -15.407 1.00 10.00 H new ATOM 0 HA GLU A 4 2.533 -10.887 -13.907 1.00 10.00 H new ATOM 0 HB2 GLU A 4 1.881 -10.413 -16.764 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.589 -10.465 -16.374 1.00 10.00 H new ATOM 0 HG2 GLU A 4 1.560 -12.598 -15.534 1.00 10.00 H new ATOM 0 HG3 GLU A 4 2.611 -12.733 -16.930 1.00 10.00 H new ATOM 53 N LYS A 5 3.018 -7.876 -15.224 1.00 10.00 N ATOM 54 CA LYS A 5 3.731 -6.642 -14.999 1.00 10.00 C ATOM 55 C LYS A 5 3.476 -6.182 -13.573 1.00 10.00 C ATOM 56 O LYS A 5 4.432 -5.870 -12.879 1.00 10.00 O ATOM 57 CB LYS A 5 3.418 -5.573 -16.038 1.00 10.00 C ATOM 58 CG LYS A 5 4.291 -5.697 -17.294 1.00 10.00 C ATOM 59 CD LYS A 5 5.069 -4.393 -17.544 1.00 10.00 C ATOM 60 CE LYS A 5 6.235 -4.246 -16.547 1.00 10.00 C ATOM 61 NZ LYS A 5 6.801 -2.879 -16.506 1.00 10.00 N ATOM 0 H LYS A 5 2.391 -7.867 -16.029 1.00 10.00 H new ATOM 0 HA LYS A 5 4.798 -6.826 -15.122 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.368 -5.644 -16.322 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.563 -4.588 -15.595 1.00 10.00 H new ATOM 0 HG2 LYS A 5 4.989 -6.526 -17.178 1.00 10.00 H new ATOM 0 HG3 LYS A 5 3.666 -5.925 -18.157 1.00 10.00 H new ATOM 0 HD2 LYS A 5 5.454 -4.385 -18.564 1.00 10.00 H new ATOM 0 HD3 LYS A 5 4.396 -3.540 -17.451 1.00 10.00 H new ATOM 0 HE2 LYS A 5 5.888 -4.518 -15.550 1.00 10.00 H new ATOM 0 HE3 LYS A 5 7.023 -4.950 -16.814 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 7.827 -2.933 -16.346 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 6.616 -2.400 -17.410 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 6.358 -2.343 -15.733 1.00 10.00 H new ATOM 75 N GLY A 6 2.230 -6.209 -13.101 1.00 10.00 N ATOM 76 CA GLY A 6 1.909 -5.873 -11.726 1.00 10.00 C ATOM 77 C GLY A 6 2.787 -6.589 -10.701 1.00 10.00 C ATOM 78 O GLY A 6 3.301 -5.964 -9.771 1.00 10.00 O ATOM 0 H GLY A 6 1.420 -6.465 -13.665 1.00 10.00 H new ATOM 0 HA2 GLY A 6 2.011 -4.796 -11.590 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.865 -6.121 -11.534 1.00 10.00 H new ATOM 82 N LYS A 7 2.963 -7.902 -10.870 1.00 10.00 N ATOM 83 CA LYS A 7 3.755 -8.740 -9.998 1.00 10.00 C ATOM 84 C LYS A 7 5.169 -8.191 -10.010 1.00 10.00 C ATOM 85 O LYS A 7 5.749 -7.920 -8.960 1.00 10.00 O ATOM 86 CB LYS A 7 3.689 -10.190 -10.504 1.00 10.00 C ATOM 87 CG LYS A 7 4.434 -11.196 -9.623 1.00 10.00 C ATOM 88 CD LYS A 7 4.502 -12.555 -10.344 1.00 10.00 C ATOM 89 CE LYS A 7 3.875 -13.676 -9.507 1.00 10.00 C ATOM 90 NZ LYS A 7 3.944 -14.972 -10.213 1.00 10.00 N ATOM 0 H LYS A 7 2.541 -8.416 -11.643 1.00 10.00 H new ATOM 0 HA LYS A 7 3.383 -8.738 -8.973 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.644 -10.491 -10.576 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.102 -10.231 -11.512 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.440 -10.834 -9.410 1.00 10.00 H new ATOM 0 HG3 LYS A 7 3.925 -11.305 -8.666 1.00 10.00 H new ATOM 0 HD2 LYS A 7 3.986 -12.485 -11.302 1.00 10.00 H new ATOM 0 HD3 LYS A 7 5.542 -12.800 -10.559 1.00 10.00 H new ATOM 0 HE2 LYS A 7 4.392 -13.752 -8.550 1.00 10.00 H new ATOM 0 HE3 LYS A 7 2.835 -13.433 -9.289 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 3.512 -15.712 -9.623 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 3.430 -14.904 -11.114 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 4.938 -15.214 -10.399 1.00 10.00 H new ATOM 104 N LYS A 8 5.747 -8.027 -11.201 1.00 10.00 N ATOM 105 CA LYS A 8 7.130 -7.606 -11.248 1.00 10.00 C ATOM 106 C LYS A 8 7.281 -6.195 -10.688 1.00 10.00 C ATOM 107 O LYS A 8 8.198 -5.944 -9.916 1.00 10.00 O ATOM 108 CB LYS A 8 7.760 -7.767 -12.635 1.00 10.00 C ATOM 109 CG LYS A 8 7.403 -9.085 -13.337 1.00 10.00 C ATOM 110 CD LYS A 8 7.415 -10.363 -12.479 1.00 10.00 C ATOM 111 CE LYS A 8 8.820 -10.896 -12.149 1.00 10.00 C ATOM 112 NZ LYS A 8 9.403 -10.270 -10.943 1.00 10.00 N ATOM 0 H LYS A 8 5.296 -8.174 -12.104 1.00 10.00 H new ATOM 0 HA LYS A 8 7.697 -8.279 -10.605 1.00 10.00 H new ATOM 0 HB2 LYS A 8 7.444 -6.935 -13.265 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.844 -7.701 -12.540 1.00 10.00 H new ATOM 0 HG2 LYS A 8 6.409 -8.978 -13.771 1.00 10.00 H new ATOM 0 HG3 LYS A 8 8.098 -9.227 -14.164 1.00 10.00 H new ATOM 0 HD2 LYS A 8 6.887 -10.164 -11.546 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.858 -11.141 -13.001 1.00 10.00 H new ATOM 0 HE2 LYS A 8 8.769 -11.975 -12.004 1.00 10.00 H new ATOM 0 HE3 LYS A 8 9.479 -10.719 -12.999 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 10.303 -10.737 -10.710 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 9.574 -9.260 -11.124 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 8.743 -10.372 -10.146 1.00 10.00 H new ATOM 126 N ILE A 9 6.370 -5.288 -11.036 1.00 10.00 N ATOM 127 CA ILE A 9 6.362 -3.922 -10.562 1.00 10.00 C ATOM 128 C ILE A 9 6.371 -3.939 -9.040 1.00 10.00 C ATOM 129 O ILE A 9 7.270 -3.369 -8.435 1.00 10.00 O ATOM 130 CB ILE A 9 5.159 -3.177 -11.162 1.00 10.00 C ATOM 131 CG1 ILE A 9 5.375 -2.976 -12.672 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.968 -1.805 -10.512 1.00 10.00 C ATOM 133 CD1 ILE A 9 4.081 -2.567 -13.378 1.00 10.00 C ATOM 0 H ILE A 9 5.601 -5.497 -11.672 1.00 10.00 H new ATOM 0 HA ILE A 9 7.250 -3.380 -10.886 1.00 10.00 H new ATOM 0 HB ILE A 9 4.271 -3.781 -10.977 1.00 10.00 H new ATOM 0 HG12 ILE A 9 6.135 -2.211 -12.832 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.754 -3.899 -13.112 1.00 10.00 H new ATOM 0 HG21 ILE A 9 4.109 -1.306 -10.960 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.798 -1.930 -9.443 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.861 -1.200 -10.669 1.00 10.00 H new ATOM 0 HD11 ILE A 9 4.274 -2.434 -14.443 1.00 10.00 H new ATOM 0 HD12 ILE A 9 3.330 -3.344 -13.239 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.717 -1.630 -12.956 1.00 10.00 H new ATOM 145 N PHE A 10 5.427 -4.634 -8.412 1.00 10.00 N ATOM 146 CA PHE A 10 5.411 -4.792 -6.966 1.00 10.00 C ATOM 147 C PHE A 10 6.810 -5.140 -6.415 1.00 10.00 C ATOM 148 O PHE A 10 7.303 -4.500 -5.481 1.00 10.00 O ATOM 149 CB PHE A 10 4.357 -5.844 -6.618 1.00 10.00 C ATOM 150 CG PHE A 10 4.272 -6.130 -5.143 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.608 -5.226 -4.296 1.00 10.00 C ATOM 152 CD2 PHE A 10 4.937 -7.247 -4.609 1.00 10.00 C ATOM 153 CE1 PHE A 10 3.569 -5.465 -2.915 1.00 10.00 C ATOM 154 CE2 PHE A 10 4.911 -7.478 -3.226 1.00 10.00 C ATOM 155 CZ PHE A 10 4.218 -6.592 -2.387 1.00 10.00 C ATOM 0 H PHE A 10 4.656 -5.100 -8.891 1.00 10.00 H new ATOM 0 HA PHE A 10 5.144 -3.850 -6.487 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.384 -5.505 -6.973 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.586 -6.768 -7.149 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.129 -4.350 -4.708 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.466 -7.925 -5.262 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.042 -4.786 -2.261 1.00 10.00 H new ATOM 0 HE2 PHE A 10 5.422 -8.333 -2.809 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.184 -6.779 -1.324 1.00 10.00 H new ATOM 165 N VAL A 11 7.479 -6.110 -7.049 1.00 10.00 N ATOM 166 CA VAL A 11 8.814 -6.576 -6.670 1.00 10.00 C ATOM 167 C VAL A 11 9.932 -5.594 -7.064 1.00 10.00 C ATOM 168 O VAL A 11 11.053 -5.694 -6.572 1.00 10.00 O ATOM 169 CB VAL A 11 9.053 -7.981 -7.253 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.422 -8.563 -6.872 1.00 10.00 C ATOM 171 CG2 VAL A 11 7.978 -8.933 -6.729 1.00 10.00 C ATOM 0 H VAL A 11 7.097 -6.602 -7.857 1.00 10.00 H new ATOM 0 HA VAL A 11 8.851 -6.629 -5.582 1.00 10.00 H new ATOM 0 HB VAL A 11 9.016 -7.881 -8.338 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.531 -9.554 -7.312 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.211 -7.911 -7.246 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.496 -8.638 -5.787 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.143 -9.929 -7.139 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.029 -8.976 -5.641 1.00 10.00 H new ATOM 0 HG23 VAL A 11 6.995 -8.574 -7.033 1.00 10.00 H new ATOM 181 N GLN A 12 9.665 -4.663 -7.976 1.00 10.00 N ATOM 182 CA GLN A 12 10.642 -3.697 -8.467 1.00 10.00 C ATOM 183 C GLN A 12 10.448 -2.317 -7.840 1.00 10.00 C ATOM 184 O GLN A 12 11.325 -1.465 -7.963 1.00 10.00 O ATOM 185 CB GLN A 12 10.551 -3.638 -9.991 1.00 10.00 C ATOM 186 CG GLN A 12 10.963 -4.985 -10.612 1.00 10.00 C ATOM 187 CD GLN A 12 12.472 -5.134 -10.746 1.00 10.00 C ATOM 188 OE1 GLN A 12 13.032 -4.878 -11.806 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.142 -5.571 -9.683 1.00 10.00 N ATOM 0 H GLN A 12 8.745 -4.557 -8.403 1.00 10.00 H new ATOM 0 HA GLN A 12 11.640 -4.023 -8.175 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.533 -3.390 -10.290 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.196 -2.845 -10.369 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.575 -5.797 -9.997 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.504 -5.082 -11.596 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.646 -5.775 -8.816 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.152 -5.702 -9.735 1.00 10.00 H new ATOM 198 N LYS A 13 9.300 -2.081 -7.200 1.00 10.00 N ATOM 199 CA LYS A 13 8.963 -0.816 -6.572 1.00 10.00 C ATOM 200 C LYS A 13 8.913 -0.949 -5.050 1.00 10.00 C ATOM 201 O LYS A 13 9.425 -0.081 -4.347 1.00 10.00 O ATOM 202 CB LYS A 13 7.603 -0.331 -7.078 1.00 10.00 C ATOM 203 CG LYS A 13 7.496 -0.218 -8.598 1.00 10.00 C ATOM 204 CD LYS A 13 8.478 0.772 -9.216 1.00 10.00 C ATOM 205 CE LYS A 13 8.042 0.939 -10.674 1.00 10.00 C ATOM 206 NZ LYS A 13 8.964 1.779 -11.445 1.00 10.00 N ATOM 0 H LYS A 13 8.567 -2.785 -7.106 1.00 10.00 H new ATOM 0 HA LYS A 13 9.738 -0.095 -6.833 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.832 -1.015 -6.722 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.392 0.644 -6.638 1.00 10.00 H new ATOM 0 HG2 LYS A 13 7.662 -1.201 -9.038 1.00 10.00 H new ATOM 0 HG3 LYS A 13 6.481 0.081 -8.859 1.00 10.00 H new ATOM 0 HD2 LYS A 13 8.455 1.726 -8.689 1.00 10.00 H new ATOM 0 HD3 LYS A 13 9.500 0.399 -9.154 1.00 10.00 H new ATOM 0 HE2 LYS A 13 7.972 -0.042 -11.143 1.00 10.00 H new ATOM 0 HE3 LYS A 13 7.045 1.378 -10.703 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 8.449 2.234 -12.226 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 9.369 2.510 -10.825 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 9.729 1.190 -11.832 1.00 10.00 H new ATOM 220 N CYS A 14 8.239 -1.988 -4.543 1.00 10.00 N ATOM 221 CA CYS A 14 7.857 -2.071 -3.139 1.00 10.00 C ATOM 222 C CYS A 14 8.713 -3.141 -2.445 1.00 10.00 C ATOM 223 O CYS A 14 9.507 -2.819 -1.566 1.00 10.00 O ATOM 224 CB CYS A 14 6.361 -2.311 -3.006 1.00 10.00 C ATOM 225 SG CYS A 14 5.349 -1.694 -4.409 1.00 10.00 S ATOM 0 H CYS A 14 7.946 -2.792 -5.099 1.00 10.00 H new ATOM 0 HA CYS A 14 8.052 -1.124 -2.635 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.188 -3.382 -2.896 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.012 -1.836 -2.089 1.00 10.00 H new ATOM 230 N ALA A 15 8.564 -4.400 -2.871 1.00 10.00 N ATOM 231 CA ALA A 15 9.275 -5.608 -2.439 1.00 10.00 C ATOM 232 C ALA A 15 9.846 -5.632 -1.017 1.00 10.00 C ATOM 233 O ALA A 15 9.258 -6.247 -0.131 1.00 10.00 O ATOM 234 CB ALA A 15 10.341 -5.984 -3.476 1.00 10.00 C ATOM 0 H ALA A 15 7.879 -4.619 -3.594 1.00 10.00 H new ATOM 0 HA ALA A 15 8.492 -6.364 -2.382 1.00 10.00 H new ATOM 0 HB1 ALA A 15 10.866 -6.882 -3.149 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.863 -6.172 -4.437 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.053 -5.165 -3.579 1.00 10.00 H new ATOM 240 N GLN A 16 11.001 -5.002 -0.768 1.00 10.00 N ATOM 241 CA GLN A 16 11.566 -4.904 0.573 1.00 10.00 C ATOM 242 C GLN A 16 10.806 -3.822 1.348 1.00 10.00 C ATOM 243 O GLN A 16 11.383 -2.864 1.858 1.00 10.00 O ATOM 244 CB GLN A 16 13.089 -4.671 0.527 1.00 10.00 C ATOM 245 CG GLN A 16 13.884 -5.986 0.606 1.00 10.00 C ATOM 246 CD GLN A 16 15.332 -5.776 1.057 1.00 10.00 C ATOM 247 OE1 GLN A 16 15.645 -4.842 1.788 1.00 10.00 O ATOM 248 NE2 GLN A 16 16.238 -6.667 0.667 1.00 10.00 N ATOM 0 H GLN A 16 11.563 -4.550 -1.489 1.00 10.00 H new ATOM 0 HA GLN A 16 11.441 -5.848 1.103 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.347 -4.148 -0.394 1.00 10.00 H new ATOM 0 HB3 GLN A 16 13.380 -4.023 1.354 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.387 -6.665 1.299 1.00 10.00 H new ATOM 0 HG3 GLN A 16 13.879 -6.468 -0.372 1.00 10.00 H new ATOM 0 HE21 GLN A 16 15.965 -7.439 0.059 1.00 10.00 H new ATOM 0 HE22 GLN A 16 17.206 -6.579 0.976 1.00 10.00 H new ATOM 257 N CYS A 17 9.495 -4.022 1.459 1.00 10.00 N ATOM 258 CA CYS A 17 8.623 -3.302 2.358 1.00 10.00 C ATOM 259 C CYS A 17 7.295 -4.054 2.405 1.00 10.00 C ATOM 260 O CYS A 17 6.845 -4.431 3.474 1.00 10.00 O ATOM 261 CB CYS A 17 8.478 -1.839 1.988 1.00 10.00 C ATOM 262 SG CYS A 17 8.870 -0.815 3.450 1.00 10.00 S ATOM 0 H CYS A 17 9.001 -4.718 0.900 1.00 10.00 H new ATOM 0 HA CYS A 17 9.056 -3.271 3.358 1.00 10.00 H new ATOM 0 HB2 CYS A 17 9.147 -1.591 1.164 1.00 10.00 H new ATOM 0 HB3 CYS A 17 7.463 -1.636 1.647 1.00 10.00 H new ATOM 267 N HIS A 18 6.667 -4.348 1.262 1.00 10.00 N ATOM 268 CA HIS A 18 5.426 -5.101 1.280 1.00 10.00 C ATOM 269 C HIS A 18 5.661 -6.480 0.714 1.00 10.00 C ATOM 270 O HIS A 18 6.422 -6.646 -0.233 1.00 10.00 O ATOM 271 CB HIS A 18 4.368 -4.380 0.470 1.00 10.00 C ATOM 272 CG HIS A 18 3.888 -3.143 1.163 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.108 -3.062 2.298 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.111 -1.881 0.708 1.00 10.00 C ATOM 275 CE1 HIS A 18 2.820 -1.756 2.467 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.417 -0.999 1.527 1.00 10.00 N ATOM 0 H HIS A 18 6.995 -4.079 0.334 1.00 10.00 H new ATOM 0 HA HIS A 18 5.078 -5.191 2.309 1.00 10.00 H new ATOM 0 HB2 HIS A 18 4.774 -4.116 -0.506 1.00 10.00 H new ATOM 0 HB3 HIS A 18 3.526 -5.049 0.294 1.00 10.00 H new ATOM 0 HD1 HIS A 18 2.809 -3.836 2.891 1.00 10.00 H new ATOM 0 HD2 HIS A 18 4.721 -1.611 -0.142 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.192 -1.367 3.255 1.00 10.00 H new ATOM 284 N THR A 19 4.955 -7.453 1.285 1.00 10.00 N ATOM 285 CA THR A 19 5.019 -8.837 0.864 1.00 10.00 C ATOM 286 C THR A 19 3.719 -9.274 0.187 1.00 10.00 C ATOM 287 O THR A 19 3.779 -9.979 -0.809 1.00 10.00 O ATOM 288 CB THR A 19 5.401 -9.689 2.072 1.00 10.00 C ATOM 289 OG1 THR A 19 6.626 -9.231 2.614 1.00 10.00 O ATOM 290 CG2 THR A 19 5.567 -11.133 1.627 1.00 10.00 C ATOM 0 H THR A 19 4.316 -7.293 2.063 1.00 10.00 H new ATOM 0 HA THR A 19 5.787 -8.971 0.102 1.00 10.00 H new ATOM 0 HB THR A 19 4.620 -9.615 2.828 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.235 -9.990 2.734 1.00 10.00 H new ATOM 0 HG21 THR A 19 5.840 -11.749 2.484 1.00 10.00 H new ATOM 0 HG22 THR A 19 4.629 -11.494 1.205 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.351 -11.193 0.872 1.00 10.00 H new ATOM 298 N VAL A 20 2.574 -8.839 0.725 1.00 10.00 N ATOM 299 CA VAL A 20 1.216 -9.105 0.246 1.00 10.00 C ATOM 300 C VAL A 20 0.883 -10.594 0.227 1.00 10.00 C ATOM 301 O VAL A 20 -0.042 -10.985 -0.475 1.00 10.00 O ATOM 302 CB VAL A 20 0.865 -8.412 -1.096 1.00 10.00 C ATOM 303 CG1 VAL A 20 0.999 -6.890 -1.024 1.00 10.00 C ATOM 304 CG2 VAL A 20 1.589 -8.921 -2.346 1.00 10.00 C ATOM 0 H VAL A 20 2.573 -8.254 1.561 1.00 10.00 H new ATOM 0 HA VAL A 20 0.567 -8.638 0.987 1.00 10.00 H new ATOM 0 HB VAL A 20 -0.179 -8.698 -1.224 1.00 10.00 H new ATOM 0 HG11 VAL A 20 0.742 -6.456 -1.990 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.325 -6.501 -0.260 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.026 -6.627 -0.770 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.255 -8.355 -3.216 1.00 10.00 H new ATOM 0 HG22 VAL A 20 2.664 -8.793 -2.221 1.00 10.00 H new ATOM 0 HG23 VAL A 20 1.364 -9.977 -2.492 1.00 10.00 H new ATOM 314 N GLU A 21 1.616 -11.414 0.987 1.00 10.00 N ATOM 315 CA GLU A 21 1.484 -12.862 0.960 1.00 10.00 C ATOM 316 C GLU A 21 1.687 -13.354 2.391 1.00 10.00 C ATOM 317 O GLU A 21 2.358 -12.698 3.186 1.00 10.00 O ATOM 318 CB GLU A 21 2.526 -13.523 0.028 1.00 10.00 C ATOM 319 CG GLU A 21 2.769 -12.851 -1.345 1.00 10.00 C ATOM 320 CD GLU A 21 2.480 -13.700 -2.583 1.00 10.00 C ATOM 321 OE1 GLU A 21 2.683 -14.930 -2.498 1.00 10.00 O ATOM 322 OE2 GLU A 21 2.141 -13.086 -3.626 1.00 10.00 O ATOM 0 H GLU A 21 2.323 -11.081 1.643 1.00 10.00 H new ATOM 0 HA GLU A 21 0.501 -13.131 0.573 1.00 10.00 H new ATOM 0 HB2 GLU A 21 3.477 -13.563 0.558 1.00 10.00 H new ATOM 0 HB3 GLU A 21 2.216 -14.553 -0.149 1.00 10.00 H new ATOM 0 HG2 GLU A 21 2.155 -11.952 -1.398 1.00 10.00 H new ATOM 0 HG3 GLU A 21 3.810 -12.530 -1.388 1.00 10.00 H new ATOM 329 N LYS A 22 1.183 -14.537 2.731 1.00 10.00 N ATOM 330 CA LYS A 22 1.265 -15.100 4.080 1.00 10.00 C ATOM 331 C LYS A 22 2.705 -15.298 4.606 1.00 10.00 C ATOM 332 O LYS A 22 2.888 -15.631 5.776 1.00 10.00 O ATOM 333 CB LYS A 22 0.420 -16.382 4.079 1.00 10.00 C ATOM 334 CG LYS A 22 0.257 -17.093 5.432 1.00 10.00 C ATOM 335 CD LYS A 22 1.120 -18.368 5.473 1.00 10.00 C ATOM 336 CE LYS A 22 0.725 -19.331 6.602 1.00 10.00 C ATOM 337 NZ LYS A 22 1.233 -18.902 7.921 1.00 10.00 N ATOM 0 H LYS A 22 0.698 -15.143 2.069 1.00 10.00 H new ATOM 0 HA LYS A 22 0.863 -14.386 4.799 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -0.572 -16.137 3.700 1.00 10.00 H new ATOM 0 HB3 LYS A 22 0.866 -17.085 3.375 1.00 10.00 H new ATOM 0 HG2 LYS A 22 0.548 -16.422 6.240 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -0.790 -17.349 5.592 1.00 10.00 H new ATOM 0 HD2 LYS A 22 1.037 -18.886 4.517 1.00 10.00 H new ATOM 0 HD3 LYS A 22 2.166 -18.087 5.594 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -0.361 -19.409 6.644 1.00 10.00 H new ATOM 0 HE3 LYS A 22 1.108 -20.326 6.376 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 0.938 -19.587 8.646 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 2.271 -18.852 7.894 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 0.848 -17.964 8.153 1.00 10.00 H new ATOM 351 N GLY A 23 3.724 -15.076 3.771 1.00 10.00 N ATOM 352 CA GLY A 23 5.135 -15.096 4.149 1.00 10.00 C ATOM 353 C GLY A 23 5.657 -13.762 4.694 1.00 10.00 C ATOM 354 O GLY A 23 6.799 -13.710 5.151 1.00 10.00 O ATOM 0 H GLY A 23 3.582 -14.871 2.782 1.00 10.00 H new ATOM 0 HA2 GLY A 23 5.287 -15.868 4.903 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.729 -15.378 3.280 1.00 10.00 H new ATOM 358 N GLY A 24 4.875 -12.679 4.618 1.00 10.00 N ATOM 359 CA GLY A 24 5.339 -11.366 5.044 1.00 10.00 C ATOM 360 C GLY A 24 5.887 -11.327 6.468 1.00 10.00 C ATOM 361 O GLY A 24 5.442 -12.056 7.352 1.00 10.00 O ATOM 0 H GLY A 24 3.918 -12.692 4.264 1.00 10.00 H new ATOM 0 HA2 GLY A 24 6.116 -11.028 4.358 1.00 10.00 H new ATOM 0 HA3 GLY A 24 4.514 -10.658 4.965 1.00 10.00 H new ATOM 365 N LYS A 25 6.889 -10.466 6.659 1.00 10.00 N ATOM 366 CA LYS A 25 7.688 -10.350 7.867 1.00 10.00 C ATOM 367 C LYS A 25 7.485 -8.984 8.513 1.00 10.00 C ATOM 368 O LYS A 25 6.815 -8.119 7.956 1.00 10.00 O ATOM 369 CB LYS A 25 9.158 -10.561 7.488 1.00 10.00 C ATOM 370 CG LYS A 25 9.396 -12.018 7.059 1.00 10.00 C ATOM 371 CD LYS A 25 10.626 -12.575 7.790 1.00 10.00 C ATOM 372 CE LYS A 25 10.710 -14.097 7.622 1.00 10.00 C ATOM 373 NZ LYS A 25 11.801 -14.682 8.430 1.00 10.00 N ATOM 0 H LYS A 25 7.173 -9.803 5.938 1.00 10.00 H new ATOM 0 HA LYS A 25 7.382 -11.103 8.594 1.00 10.00 H new ATOM 0 HB2 LYS A 25 9.431 -9.887 6.676 1.00 10.00 H new ATOM 0 HB3 LYS A 25 9.798 -10.315 8.336 1.00 10.00 H new ATOM 0 HG2 LYS A 25 8.519 -12.623 7.288 1.00 10.00 H new ATOM 0 HG3 LYS A 25 9.546 -12.070 5.981 1.00 10.00 H new ATOM 0 HD2 LYS A 25 11.530 -12.110 7.398 1.00 10.00 H new ATOM 0 HD3 LYS A 25 10.571 -12.323 8.849 1.00 10.00 H new ATOM 0 HE2 LYS A 25 9.761 -14.547 7.913 1.00 10.00 H new ATOM 0 HE3 LYS A 25 10.868 -14.338 6.571 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 11.824 -15.712 8.288 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 12.710 -14.272 8.135 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 11.638 -14.474 9.436 1.00 10.00 H new ATOM 387 N HIS A 26 8.107 -8.776 9.678 1.00 10.00 N ATOM 388 CA HIS A 26 7.887 -7.585 10.489 1.00 10.00 C ATOM 389 C HIS A 26 8.689 -6.370 10.010 1.00 10.00 C ATOM 390 O HIS A 26 8.861 -5.414 10.763 1.00 10.00 O ATOM 391 CB HIS A 26 8.270 -7.868 11.956 1.00 10.00 C ATOM 392 CG HIS A 26 7.972 -9.256 12.464 1.00 10.00 C ATOM 393 ND1 HIS A 26 8.913 -10.193 12.830 1.00 10.00 N ATOM 394 CD2 HIS A 26 6.735 -9.800 12.683 1.00 10.00 C ATOM 395 CE1 HIS A 26 8.252 -11.285 13.250 1.00 10.00 C ATOM 396 NE2 HIS A 26 6.925 -11.096 13.171 1.00 10.00 N ATOM 0 H HIS A 26 8.776 -9.432 10.081 1.00 10.00 H new ATOM 0 HA HIS A 26 6.828 -7.346 10.395 1.00 10.00 H new ATOM 0 HB2 HIS A 26 9.337 -7.681 12.074 1.00 10.00 H new ATOM 0 HB3 HIS A 26 7.749 -7.151 12.591 1.00 10.00 H new ATOM 0 HD2 HIS A 26 5.785 -9.316 12.510 1.00 10.00 H new ATOM 0 HE1 HIS A 26 8.723 -12.190 13.603 1.00 10.00 H new ATOM 0 HE2 HIS A 26 6.198 -11.767 13.419 1.00 10.00 H new ATOM 404 N LYS A 27 9.243 -6.420 8.798 1.00 10.00 N ATOM 405 CA LYS A 27 9.991 -5.304 8.243 1.00 10.00 C ATOM 406 C LYS A 27 9.044 -4.124 7.980 1.00 10.00 C ATOM 407 O LYS A 27 7.827 -4.276 8.080 1.00 10.00 O ATOM 408 CB LYS A 27 10.794 -5.802 7.031 1.00 10.00 C ATOM 409 CG LYS A 27 12.031 -6.574 7.539 1.00 10.00 C ATOM 410 CD LYS A 27 12.346 -7.814 6.691 1.00 10.00 C ATOM 411 CE LYS A 27 13.584 -8.567 7.211 1.00 10.00 C ATOM 412 NZ LYS A 27 14.849 -7.857 6.920 1.00 10.00 N ATOM 0 H LYS A 27 9.184 -7.231 8.182 1.00 10.00 H new ATOM 0 HA LYS A 27 10.729 -4.912 8.943 1.00 10.00 H new ATOM 0 HB2 LYS A 27 10.176 -6.448 6.408 1.00 10.00 H new ATOM 0 HB3 LYS A 27 11.102 -4.961 6.411 1.00 10.00 H new ATOM 0 HG2 LYS A 27 12.895 -5.909 7.538 1.00 10.00 H new ATOM 0 HG3 LYS A 27 11.865 -6.878 8.572 1.00 10.00 H new ATOM 0 HD2 LYS A 27 11.486 -8.484 6.694 1.00 10.00 H new ATOM 0 HD3 LYS A 27 12.512 -7.513 5.656 1.00 10.00 H new ATOM 0 HE2 LYS A 27 13.492 -8.709 8.288 1.00 10.00 H new ATOM 0 HE3 LYS A 27 13.617 -9.559 6.760 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 15.649 -8.407 7.292 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 14.955 -7.743 5.892 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 14.833 -6.921 7.372 1.00 10.00 H new ATOM 426 N THR A 28 9.590 -2.932 7.704 1.00 10.00 N ATOM 427 CA THR A 28 8.791 -1.756 7.380 1.00 10.00 C ATOM 428 C THR A 28 7.800 -2.122 6.279 1.00 10.00 C ATOM 429 O THR A 28 8.138 -2.940 5.435 1.00 10.00 O ATOM 430 CB THR A 28 9.721 -0.608 6.957 1.00 10.00 C ATOM 431 OG1 THR A 28 10.837 -0.588 7.826 1.00 10.00 O ATOM 432 CG2 THR A 28 9.002 0.743 7.014 1.00 10.00 C ATOM 0 H THR A 28 10.596 -2.762 7.701 1.00 10.00 H new ATOM 0 HA THR A 28 8.226 -1.420 8.249 1.00 10.00 H new ATOM 0 HB THR A 28 10.038 -0.774 5.927 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.441 0.139 7.567 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.688 1.533 6.709 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.144 0.727 6.342 1.00 10.00 H new ATOM 0 HG23 THR A 28 8.661 0.931 8.032 1.00 10.00 H new ATOM 440 N GLY A 29 6.596 -1.544 6.300 1.00 10.00 N ATOM 441 CA GLY A 29 5.544 -1.935 5.376 1.00 10.00 C ATOM 442 C GLY A 29 4.894 -3.225 5.869 1.00 10.00 C ATOM 443 O GLY A 29 5.526 -4.276 5.879 1.00 10.00 O ATOM 0 H GLY A 29 6.332 -0.804 6.950 1.00 10.00 H new ATOM 0 HA2 GLY A 29 4.798 -1.144 5.300 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.956 -2.080 4.378 1.00 10.00 H new ATOM 447 N PRO A 30 3.641 -3.188 6.338 1.00 10.00 N ATOM 448 CA PRO A 30 3.042 -4.400 6.836 1.00 10.00 C ATOM 449 C PRO A 30 2.729 -5.350 5.688 1.00 10.00 C ATOM 450 O PRO A 30 2.554 -4.950 4.529 1.00 10.00 O ATOM 451 CB PRO A 30 1.817 -3.964 7.644 1.00 10.00 C ATOM 452 CG PRO A 30 1.437 -2.614 7.032 1.00 10.00 C ATOM 453 CD PRO A 30 2.765 -2.044 6.527 1.00 10.00 C ATOM 0 HA PRO A 30 3.710 -4.968 7.483 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.004 -4.685 7.558 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.050 -3.871 8.705 1.00 10.00 H new ATOM 0 HG2 PRO A 30 0.720 -2.733 6.220 1.00 10.00 H new ATOM 0 HG3 PRO A 30 0.977 -1.957 7.770 1.00 10.00 H new ATOM 0 HD2 PRO A 30 2.627 -1.499 5.593 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.188 -1.342 7.246 1.00 10.00 H new ATOM 461 N ASN A 31 2.694 -6.636 6.044 1.00 10.00 N ATOM 462 CA ASN A 31 2.394 -7.710 5.129 1.00 10.00 C ATOM 463 C ASN A 31 0.981 -7.527 4.617 1.00 10.00 C ATOM 464 O ASN A 31 0.039 -7.840 5.345 1.00 10.00 O ATOM 465 CB ASN A 31 2.450 -9.056 5.849 1.00 10.00 C ATOM 466 CG ASN A 31 2.042 -10.145 4.862 1.00 10.00 C ATOM 467 OD1 ASN A 31 2.207 -9.978 3.653 1.00 10.00 O ATOM 468 ND2 ASN A 31 1.521 -11.259 5.358 1.00 10.00 N ATOM 0 H ASN A 31 2.878 -6.953 6.996 1.00 10.00 H new ATOM 0 HA ASN A 31 3.122 -7.693 4.318 1.00 10.00 H new ATOM 0 HB2 ASN A 31 3.455 -9.243 6.226 1.00 10.00 H new ATOM 0 HB3 ASN A 31 1.781 -9.054 6.710 1.00 10.00 H new ATOM 0 HD21 ASN A 31 1.242 -12.014 4.732 1.00 10.00 H new ATOM 0 HD22 ASN A 31 1.400 -11.361 6.366 1.00 10.00 H new ATOM 475 N LEU A 32 0.811 -7.041 3.387 1.00 10.00 N ATOM 476 CA LEU A 32 -0.502 -6.581 2.975 1.00 10.00 C ATOM 477 C LEU A 32 -1.483 -7.712 2.578 1.00 10.00 C ATOM 478 O LEU A 32 -2.313 -7.551 1.686 1.00 10.00 O ATOM 479 CB LEU A 32 -0.388 -5.399 1.995 1.00 10.00 C ATOM 480 CG LEU A 32 -0.470 -4.022 2.679 1.00 10.00 C ATOM 481 CD1 LEU A 32 -0.336 -2.945 1.595 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.770 -3.827 3.471 1.00 10.00 C ATOM 0 H LEU A 32 1.544 -6.959 2.683 1.00 10.00 H new ATOM 0 HA LEU A 32 -1.002 -6.177 3.855 1.00 10.00 H new ATOM 0 HB2 LEU A 32 0.558 -5.473 1.458 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -1.183 -5.475 1.253 1.00 10.00 H new ATOM 0 HG LEU A 32 0.339 -3.947 3.406 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.391 -1.958 2.054 1.00 10.00 H new ATOM 0 HD12 LEU A 32 0.622 -3.056 1.088 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -1.144 -3.054 0.872 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.771 -2.839 3.931 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -2.623 -3.915 2.798 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.841 -4.589 4.248 1.00 10.00 H new ATOM 494 N HIS A 33 -1.422 -8.856 3.268 1.00 10.00 N ATOM 495 CA HIS A 33 -2.183 -10.081 3.029 1.00 10.00 C ATOM 496 C HIS A 33 -3.625 -9.919 3.537 1.00 10.00 C ATOM 497 O HIS A 33 -4.067 -10.595 4.464 1.00 10.00 O ATOM 498 CB HIS A 33 -1.406 -11.222 3.706 1.00 10.00 C ATOM 499 CG HIS A 33 -2.056 -12.584 3.728 1.00 10.00 C ATOM 500 ND1 HIS A 33 -2.496 -13.334 2.659 1.00 10.00 N ATOM 501 CD2 HIS A 33 -2.219 -13.348 4.851 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.948 -14.503 3.141 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.787 -14.568 4.475 1.00 10.00 N ATOM 0 H HIS A 33 -0.793 -8.954 4.065 1.00 10.00 H new ATOM 0 HA HIS A 33 -2.283 -10.310 1.968 1.00 10.00 H new ATOM 0 HB2 HIS A 33 -0.442 -11.316 3.206 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -1.204 -10.928 4.736 1.00 10.00 H new ATOM 0 HD1 HIS A 33 -2.481 -13.052 1.679 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -1.954 -13.058 5.857 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -3.383 -15.287 2.538 1.00 10.00 H new ATOM 511 N GLY A 34 -4.344 -8.983 2.919 1.00 10.00 N ATOM 512 CA GLY A 34 -5.778 -8.767 3.087 1.00 10.00 C ATOM 513 C GLY A 34 -6.161 -7.295 2.945 1.00 10.00 C ATOM 514 O GLY A 34 -7.032 -6.813 3.660 1.00 10.00 O ATOM 0 H GLY A 34 -3.924 -8.327 2.260 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.321 -9.355 2.347 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -6.085 -9.127 4.069 1.00 10.00 H new ATOM 518 N LEU A 35 -5.515 -6.567 2.030 1.00 10.00 N ATOM 519 CA LEU A 35 -5.669 -5.134 1.871 1.00 10.00 C ATOM 520 C LEU A 35 -7.130 -4.797 1.572 1.00 10.00 C ATOM 521 O LEU A 35 -7.792 -4.076 2.319 1.00 10.00 O ATOM 522 CB LEU A 35 -4.707 -4.698 0.746 1.00 10.00 C ATOM 523 CG LEU A 35 -4.649 -3.211 0.348 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.328 -2.274 1.513 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.580 -3.059 -0.735 1.00 10.00 C ATOM 0 H LEU A 35 -4.856 -6.976 1.367 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.416 -4.591 2.782 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.701 -5.000 1.038 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.965 -5.268 -0.147 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.639 -2.923 -0.007 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.304 -1.244 1.156 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -5.094 -2.374 2.282 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.357 -2.535 1.933 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.515 -2.014 -1.038 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.616 -3.383 -0.343 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -3.846 -3.671 -1.597 1.00 10.00 H new ATOM 537 N PHE A 36 -7.639 -5.366 0.481 1.00 10.00 N ATOM 538 CA PHE A 36 -8.995 -5.158 0.006 1.00 10.00 C ATOM 539 C PHE A 36 -9.991 -5.978 0.826 1.00 10.00 C ATOM 540 O PHE A 36 -10.618 -6.895 0.302 1.00 10.00 O ATOM 541 CB PHE A 36 -9.044 -5.509 -1.488 1.00 10.00 C ATOM 542 CG PHE A 36 -7.998 -4.802 -2.335 1.00 10.00 C ATOM 543 CD1 PHE A 36 -7.722 -3.441 -2.118 1.00 10.00 C ATOM 544 CD2 PHE A 36 -7.314 -5.492 -3.352 1.00 10.00 C ATOM 545 CE1 PHE A 36 -6.807 -2.765 -2.935 1.00 10.00 C ATOM 546 CE2 PHE A 36 -6.394 -4.809 -4.170 1.00 10.00 C ATOM 547 CZ PHE A 36 -6.143 -3.445 -3.966 1.00 10.00 C ATOM 0 H PHE A 36 -7.101 -6.001 -0.109 1.00 10.00 H new ATOM 0 HA PHE A 36 -9.283 -4.114 0.132 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.917 -6.586 -1.600 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -10.033 -5.263 -1.874 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -8.218 -2.914 -1.317 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -7.495 -6.546 -3.505 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -6.612 -1.716 -2.770 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -5.879 -5.338 -4.958 1.00 10.00 H new ATOM 0 HZ PHE A 36 -5.442 -2.921 -4.599 1.00 10.00 H new ATOM 557 N GLY A 37 -10.152 -5.624 2.103 1.00 10.00 N ATOM 558 CA GLY A 37 -11.141 -6.238 2.982 1.00 10.00 C ATOM 559 C GLY A 37 -10.635 -6.326 4.418 1.00 10.00 C ATOM 560 O GLY A 37 -10.545 -7.409 4.991 1.00 10.00 O ATOM 0 H GLY A 37 -9.595 -4.899 2.556 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.063 -5.658 2.955 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.382 -7.237 2.618 1.00 10.00 H new ATOM 564 N ARG A 38 -10.336 -5.172 5.016 1.00 10.00 N ATOM 565 CA ARG A 38 -9.810 -5.096 6.376 1.00 10.00 C ATOM 566 C ARG A 38 -10.256 -3.806 7.033 1.00 10.00 C ATOM 567 O ARG A 38 -10.875 -3.854 8.098 1.00 10.00 O ATOM 568 CB ARG A 38 -8.284 -5.266 6.338 1.00 10.00 C ATOM 569 CG ARG A 38 -7.608 -5.594 7.675 1.00 10.00 C ATOM 570 CD ARG A 38 -7.881 -7.037 8.143 1.00 10.00 C ATOM 571 NE ARG A 38 -9.058 -7.133 9.023 1.00 10.00 N ATOM 572 CZ ARG A 38 -9.072 -6.782 10.320 1.00 10.00 C ATOM 573 NH1 ARG A 38 -7.946 -6.390 10.918 1.00 10.00 N ATOM 574 NH2 ARG A 38 -10.209 -6.802 11.021 1.00 10.00 N ATOM 0 H ARG A 38 -10.453 -4.263 4.568 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.208 -5.905 6.989 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.045 -6.059 5.629 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -7.846 -4.347 5.948 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -6.532 -5.445 7.580 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -7.960 -4.897 8.436 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -8.030 -7.676 7.272 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -7.006 -7.416 8.670 1.00 10.00 H new ATOM 0 HE ARG A 38 -9.924 -7.491 8.619 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -7.074 -6.356 10.391 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -7.957 -6.124 11.903 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -11.080 -7.086 10.572 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -10.206 -6.533 12.005 1.00 10.00 H new ATOM 588 N LYS A 39 -10.009 -2.707 6.317 1.00 10.00 N ATOM 589 CA LYS A 39 -10.006 -1.298 6.659 1.00 10.00 C ATOM 590 C LYS A 39 -8.632 -0.879 7.173 1.00 10.00 C ATOM 591 O LYS A 39 -7.824 -1.717 7.564 1.00 10.00 O ATOM 592 CB LYS A 39 -11.131 -0.881 7.605 1.00 10.00 C ATOM 593 CG LYS A 39 -12.356 -0.245 6.936 1.00 10.00 C ATOM 594 CD LYS A 39 -13.412 -1.260 6.475 1.00 10.00 C ATOM 595 CE LYS A 39 -14.100 -1.982 7.649 1.00 10.00 C ATOM 596 NZ LYS A 39 -13.529 -3.318 7.932 1.00 10.00 N ATOM 0 H LYS A 39 -9.770 -2.814 5.331 1.00 10.00 H new ATOM 0 HA LYS A 39 -10.214 -0.755 5.737 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.458 -1.759 8.162 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -10.728 -0.175 8.331 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -12.818 0.453 7.635 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -12.026 0.337 6.076 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -14.166 -0.747 5.878 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -12.941 -1.999 5.827 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -14.020 -1.364 8.543 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -15.162 -2.088 7.429 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -13.584 -3.510 8.953 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -14.067 -4.042 7.414 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -12.535 -3.342 7.628 1.00 10.00 H new ATOM 610 N THR A 40 -8.385 0.429 7.159 1.00 10.00 N ATOM 611 CA THR A 40 -7.271 1.068 7.818 1.00 10.00 C ATOM 612 C THR A 40 -7.405 0.936 9.341 1.00 10.00 C ATOM 613 O THR A 40 -8.426 0.485 9.858 1.00 10.00 O ATOM 614 CB THR A 40 -7.291 2.536 7.373 1.00 10.00 C ATOM 615 OG1 THR A 40 -8.619 3.026 7.417 1.00 10.00 O ATOM 616 CG2 THR A 40 -6.782 2.666 5.939 1.00 10.00 C ATOM 0 H THR A 40 -8.985 1.090 6.666 1.00 10.00 H new ATOM 0 HA THR A 40 -6.322 0.602 7.551 1.00 10.00 H new ATOM 0 HB THR A 40 -6.649 3.107 8.044 1.00 10.00 H new ATOM 0 HG1 THR A 40 -8.852 3.258 8.340 1.00 10.00 H new ATOM 0 HG21 THR A 40 -6.803 3.714 5.639 1.00 10.00 H new ATOM 0 HG22 THR A 40 -5.760 2.292 5.880 1.00 10.00 H new ATOM 0 HG23 THR A 40 -7.420 2.085 5.273 1.00 10.00 H new ATOM 624 N GLY A 41 -6.367 1.370 10.057 1.00 10.00 N ATOM 625 CA GLY A 41 -6.286 1.301 11.517 1.00 10.00 C ATOM 626 C GLY A 41 -6.557 -0.100 12.068 1.00 10.00 C ATOM 627 O GLY A 41 -7.215 -0.245 13.096 1.00 10.00 O ATOM 0 H GLY A 41 -5.541 1.788 9.629 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -5.295 1.625 11.836 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -7.003 1.999 11.948 1.00 10.00 H new ATOM 631 N GLN A 42 -6.074 -1.126 11.367 1.00 10.00 N ATOM 632 CA GLN A 42 -6.390 -2.523 11.616 1.00 10.00 C ATOM 633 C GLN A 42 -5.195 -3.346 11.146 1.00 10.00 C ATOM 634 O GLN A 42 -5.013 -3.531 9.945 1.00 10.00 O ATOM 635 CB GLN A 42 -7.623 -2.906 10.786 1.00 10.00 C ATOM 636 CG GLN A 42 -8.982 -2.573 11.419 1.00 10.00 C ATOM 637 CD GLN A 42 -9.430 -3.585 12.473 1.00 10.00 C ATOM 638 OE1 GLN A 42 -8.795 -4.617 12.691 1.00 10.00 O ATOM 639 NE2 GLN A 42 -10.574 -3.337 13.103 1.00 10.00 N ATOM 0 H GLN A 42 -5.431 -0.998 10.585 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.594 -2.701 12.672 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.559 -2.403 9.821 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -7.587 -3.978 10.590 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.928 -1.585 11.876 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.736 -2.521 10.634 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -11.087 -2.477 12.910 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -10.939 -4.007 13.780 1.00 10.00 H new ATOM 648 N ALA A 43 -4.382 -3.850 12.073 1.00 10.00 N ATOM 649 CA ALA A 43 -3.231 -4.684 11.764 1.00 10.00 C ATOM 650 C ALA A 43 -2.860 -5.429 13.050 1.00 10.00 C ATOM 651 O ALA A 43 -3.385 -5.068 14.106 1.00 10.00 O ATOM 652 CB ALA A 43 -2.079 -3.809 11.241 1.00 10.00 C ATOM 0 H ALA A 43 -4.509 -3.686 13.072 1.00 10.00 H new ATOM 0 HA ALA A 43 -3.451 -5.407 10.979 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.219 -4.439 11.011 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -2.399 -3.288 10.339 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -1.801 -3.080 12.002 1.00 10.00 H new ATOM 658 N PRO A 44 -1.996 -6.455 12.984 1.00 10.00 N ATOM 659 CA PRO A 44 -1.506 -7.151 14.166 1.00 10.00 C ATOM 660 C PRO A 44 -0.502 -6.257 14.912 1.00 10.00 C ATOM 661 O PRO A 44 -0.455 -5.048 14.679 1.00 10.00 O ATOM 662 CB PRO A 44 -0.895 -8.447 13.614 1.00 10.00 C ATOM 663 CG PRO A 44 -0.384 -8.038 12.234 1.00 10.00 C ATOM 664 CD PRO A 44 -1.416 -7.009 11.769 1.00 10.00 C ATOM 0 HA PRO A 44 -2.274 -7.383 14.904 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -0.088 -8.813 14.249 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -1.636 -9.244 13.548 1.00 10.00 H new ATOM 0 HG2 PRO A 44 0.617 -7.609 12.286 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -0.331 -8.890 11.556 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -0.948 -6.229 11.168 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -2.181 -7.475 11.147 1.00 10.00 H new ATOM 672 N GLY A 45 0.326 -6.834 15.792 1.00 10.00 N ATOM 673 CA GLY A 45 1.349 -6.114 16.546 1.00 10.00 C ATOM 674 C GLY A 45 2.539 -5.721 15.665 1.00 10.00 C ATOM 675 O GLY A 45 3.670 -6.130 15.908 1.00 10.00 O ATOM 0 H GLY A 45 0.300 -7.832 16.001 1.00 10.00 H new ATOM 0 HA2 GLY A 45 0.912 -5.218 16.986 1.00 10.00 H new ATOM 0 HA3 GLY A 45 1.698 -6.736 17.370 1.00 10.00 H new ATOM 679 N PHE A 46 2.258 -4.921 14.637 1.00 10.00 N ATOM 680 CA PHE A 46 3.203 -4.328 13.705 1.00 10.00 C ATOM 681 C PHE A 46 3.639 -2.949 14.222 1.00 10.00 C ATOM 682 O PHE A 46 4.783 -2.553 14.024 1.00 10.00 O ATOM 683 CB PHE A 46 2.510 -4.226 12.336 1.00 10.00 C ATOM 684 CG PHE A 46 3.185 -3.302 11.342 1.00 10.00 C ATOM 685 CD1 PHE A 46 4.345 -3.718 10.662 1.00 10.00 C ATOM 686 CD2 PHE A 46 2.715 -1.985 11.183 1.00 10.00 C ATOM 687 CE1 PHE A 46 5.039 -2.815 9.838 1.00 10.00 C ATOM 688 CE2 PHE A 46 3.418 -1.079 10.372 1.00 10.00 C ATOM 689 CZ PHE A 46 4.590 -1.489 9.715 1.00 10.00 C ATOM 0 H PHE A 46 1.297 -4.655 14.423 1.00 10.00 H new ATOM 0 HA PHE A 46 4.100 -4.939 13.609 1.00 10.00 H new ATOM 0 HB2 PHE A 46 2.452 -5.223 11.900 1.00 10.00 H new ATOM 0 HB3 PHE A 46 1.486 -3.885 12.489 1.00 10.00 H new ATOM 0 HD1 PHE A 46 4.702 -4.731 10.773 1.00 10.00 H new ATOM 0 HD2 PHE A 46 1.812 -1.670 11.685 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.917 -3.140 9.300 1.00 10.00 H new ATOM 0 HE2 PHE A 46 3.058 -0.068 10.254 1.00 10.00 H new ATOM 0 HZ PHE A 46 5.147 -0.784 9.115 1.00 10.00 H new ATOM 699 N THR A 47 2.709 -2.227 14.863 1.00 10.00 N ATOM 700 CA THR A 47 2.890 -0.875 15.380 1.00 10.00 C ATOM 701 C THR A 47 2.896 0.141 14.228 1.00 10.00 C ATOM 702 O THR A 47 3.942 0.472 13.677 1.00 10.00 O ATOM 703 CB THR A 47 4.122 -0.774 16.301 1.00 10.00 C ATOM 704 OG1 THR A 47 4.120 -1.853 17.219 1.00 10.00 O ATOM 705 CG2 THR A 47 4.117 0.531 17.103 1.00 10.00 C ATOM 0 H THR A 47 1.772 -2.590 15.040 1.00 10.00 H new ATOM 0 HA THR A 47 2.040 -0.625 16.015 1.00 10.00 H new ATOM 0 HB THR A 47 5.009 -0.801 15.668 1.00 10.00 H new ATOM 0 HG1 THR A 47 4.905 -1.788 17.802 1.00 10.00 H new ATOM 0 HG21 THR A 47 5.000 0.569 17.742 1.00 10.00 H new ATOM 0 HG22 THR A 47 4.128 1.379 16.418 1.00 10.00 H new ATOM 0 HG23 THR A 47 3.220 0.575 17.721 1.00 10.00 H new ATOM 713 N TYR A 48 1.707 0.636 13.868 1.00 10.00 N ATOM 714 CA TYR A 48 1.501 1.628 12.819 1.00 10.00 C ATOM 715 C TYR A 48 1.277 3.010 13.433 1.00 10.00 C ATOM 716 O TYR A 48 0.996 3.130 14.623 1.00 10.00 O ATOM 717 CB TYR A 48 0.306 1.217 11.944 1.00 10.00 C ATOM 718 CG TYR A 48 -0.922 0.745 12.705 1.00 10.00 C ATOM 719 CD1 TYR A 48 -1.743 1.665 13.384 1.00 10.00 C ATOM 720 CD2 TYR A 48 -1.216 -0.630 12.773 1.00 10.00 C ATOM 721 CE1 TYR A 48 -2.869 1.214 14.094 1.00 10.00 C ATOM 722 CE2 TYR A 48 -2.329 -1.081 13.502 1.00 10.00 C ATOM 723 CZ TYR A 48 -3.161 -0.157 14.155 1.00 10.00 C ATOM 724 OH TYR A 48 -4.252 -0.586 14.848 1.00 10.00 O ATOM 0 H TYR A 48 0.838 0.345 14.315 1.00 10.00 H new ATOM 0 HA TYR A 48 2.391 1.678 12.192 1.00 10.00 H new ATOM 0 HB2 TYR A 48 0.024 2.066 11.321 1.00 10.00 H new ATOM 0 HB3 TYR A 48 0.625 0.421 11.272 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -1.507 2.719 13.359 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -0.583 -1.341 12.263 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -3.511 1.924 14.594 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -2.545 -2.138 13.560 1.00 10.00 H new ATOM 0 HH TYR A 48 -4.313 -1.562 14.791 1.00 10.00 H new ATOM 734 N THR A 49 1.379 4.049 12.601 1.00 10.00 N ATOM 735 CA THR A 49 1.062 5.414 12.988 1.00 10.00 C ATOM 736 C THR A 49 -0.455 5.607 13.053 1.00 10.00 C ATOM 737 O THR A 49 -1.166 5.212 12.129 1.00 10.00 O ATOM 738 CB THR A 49 1.704 6.412 12.004 1.00 10.00 C ATOM 739 OG1 THR A 49 1.372 7.733 12.380 1.00 10.00 O ATOM 740 CG2 THR A 49 1.278 6.227 10.539 1.00 10.00 C ATOM 0 H THR A 49 1.687 3.959 11.633 1.00 10.00 H new ATOM 0 HA THR A 49 1.472 5.604 13.980 1.00 10.00 H new ATOM 0 HB THR A 49 2.775 6.219 12.060 1.00 10.00 H new ATOM 0 HG1 THR A 49 1.783 8.365 11.753 1.00 10.00 H new ATOM 0 HG21 THR A 49 1.777 6.971 9.918 1.00 10.00 H new ATOM 0 HG22 THR A 49 1.556 5.228 10.203 1.00 10.00 H new ATOM 0 HG23 THR A 49 0.198 6.351 10.456 1.00 10.00 H new ATOM 748 N ASP A 50 -0.940 6.289 14.095 1.00 10.00 N ATOM 749 CA ASP A 50 -2.316 6.763 14.230 1.00 10.00 C ATOM 750 C ASP A 50 -2.840 7.425 12.950 1.00 10.00 C ATOM 751 O ASP A 50 -4.038 7.383 12.668 1.00 10.00 O ATOM 752 CB ASP A 50 -2.384 7.743 15.406 1.00 10.00 C ATOM 753 CG ASP A 50 -2.034 7.044 16.708 1.00 10.00 C ATOM 754 OD1 ASP A 50 -0.821 6.783 16.874 1.00 10.00 O ATOM 755 OD2 ASP A 50 -2.978 6.758 17.475 1.00 10.00 O ATOM 0 H ASP A 50 -0.360 6.534 14.898 1.00 10.00 H new ATOM 0 HA ASP A 50 -2.957 5.901 14.414 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -1.696 8.571 15.236 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -3.385 8.169 15.474 1.00 10.00 H new ATOM 760 N ALA A 51 -1.952 8.027 12.155 1.00 10.00 N ATOM 761 CA ALA A 51 -2.306 8.660 10.902 1.00 10.00 C ATOM 762 C ALA A 51 -3.034 7.679 9.971 1.00 10.00 C ATOM 763 O ALA A 51 -3.941 8.085 9.247 1.00 10.00 O ATOM 764 CB ALA A 51 -1.040 9.249 10.266 1.00 10.00 C ATOM 0 H ALA A 51 -0.958 8.084 12.374 1.00 10.00 H new ATOM 0 HA ALA A 51 -3.007 9.474 11.085 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.297 9.728 9.321 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.603 9.986 10.940 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.319 8.452 10.084 1.00 10.00 H new ATOM 770 N ASN A 52 -2.670 6.387 9.987 1.00 10.00 N ATOM 771 CA ASN A 52 -3.359 5.406 9.153 1.00 10.00 C ATOM 772 C ASN A 52 -4.773 5.151 9.676 1.00 10.00 C ATOM 773 O ASN A 52 -5.725 5.152 8.902 1.00 10.00 O ATOM 774 CB ASN A 52 -2.530 4.133 8.889 1.00 10.00 C ATOM 775 CG ASN A 52 -2.637 3.017 9.928 1.00 10.00 C ATOM 776 OD1 ASN A 52 -2.922 3.245 11.097 1.00 10.00 O ATOM 777 ND2 ASN A 52 -2.421 1.774 9.507 1.00 10.00 N ATOM 0 H ASN A 52 -1.916 6.008 10.559 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.473 5.836 8.158 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -2.828 3.727 7.922 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -1.482 4.421 8.805 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -2.492 0.994 10.161 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -2.185 1.600 8.530 1.00 10.00 H new ATOM 784 N LYS A 53 -4.937 5.001 10.991 1.00 10.00 N ATOM 785 CA LYS A 53 -6.235 4.851 11.632 1.00 10.00 C ATOM 786 C LYS A 53 -7.123 6.029 11.256 1.00 10.00 C ATOM 787 O LYS A 53 -8.307 5.856 10.976 1.00 10.00 O ATOM 788 CB LYS A 53 -6.037 4.742 13.151 1.00 10.00 C ATOM 789 CG LYS A 53 -7.338 4.585 13.953 1.00 10.00 C ATOM 790 CD LYS A 53 -7.018 4.689 15.456 1.00 10.00 C ATOM 791 CE LYS A 53 -8.148 5.356 16.252 1.00 10.00 C ATOM 792 NZ LYS A 53 -9.361 4.519 16.332 1.00 10.00 N ATOM 0 H LYS A 53 -4.156 4.981 11.647 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.729 3.941 11.291 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -5.391 3.889 13.360 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -5.514 5.632 13.501 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -8.052 5.357 13.666 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -7.802 3.624 13.733 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -6.836 3.691 15.855 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -6.098 5.258 15.590 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -7.796 5.575 17.260 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -8.400 6.310 15.788 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -10.091 5.017 16.880 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -9.716 4.330 15.373 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -9.131 3.619 16.800 1.00 10.00 H new ATOM 806 N ASN A 54 -6.536 7.225 11.238 1.00 10.00 N ATOM 807 CA ASN A 54 -7.252 8.442 10.900 1.00 10.00 C ATOM 808 C ASN A 54 -7.754 8.465 9.447 1.00 10.00 C ATOM 809 O ASN A 54 -8.592 9.296 9.113 1.00 10.00 O ATOM 810 CB ASN A 54 -6.358 9.647 11.212 1.00 10.00 C ATOM 811 CG ASN A 54 -7.184 10.821 11.721 1.00 10.00 C ATOM 812 OD1 ASN A 54 -7.385 11.813 11.031 1.00 10.00 O ATOM 813 ND2 ASN A 54 -7.651 10.714 12.964 1.00 10.00 N ATOM 0 H ASN A 54 -5.551 7.371 11.458 1.00 10.00 H new ATOM 0 HA ASN A 54 -8.153 8.486 11.511 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -5.615 9.369 11.959 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -5.813 9.942 10.315 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -8.196 11.474 13.371 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -7.463 9.872 13.509 1.00 10.00 H new ATOM 820 N LYS A 55 -7.255 7.575 8.578 1.00 10.00 N ATOM 821 CA LYS A 55 -7.601 7.541 7.162 1.00 10.00 C ATOM 822 C LYS A 55 -9.036 7.057 6.966 1.00 10.00 C ATOM 823 O LYS A 55 -9.829 7.697 6.282 1.00 10.00 O ATOM 824 CB LYS A 55 -6.608 6.618 6.445 1.00 10.00 C ATOM 825 CG LYS A 55 -6.533 6.854 4.924 1.00 10.00 C ATOM 826 CD LYS A 55 -5.061 6.984 4.474 1.00 10.00 C ATOM 827 CE LYS A 55 -4.250 5.675 4.592 1.00 10.00 C ATOM 828 NZ LYS A 55 -2.925 5.841 5.236 1.00 10.00 N ATOM 0 H LYS A 55 -6.590 6.850 8.849 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.539 8.545 6.741 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -5.617 6.760 6.875 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -6.890 5.581 6.630 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.010 6.028 4.397 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -7.082 7.759 4.662 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.037 7.322 3.438 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -4.576 7.755 5.072 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -4.831 4.950 5.162 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -4.108 5.257 3.595 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -2.576 4.915 5.555 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -2.255 6.247 4.552 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -3.014 6.478 6.054 1.00 10.00 H new ATOM 842 N GLY A 56 -9.347 5.903 7.557 1.00 10.00 N ATOM 843 CA GLY A 56 -10.687 5.353 7.580 1.00 10.00 C ATOM 844 C GLY A 56 -11.184 4.931 6.197 1.00 10.00 C ATOM 845 O GLY A 56 -12.225 5.406 5.749 1.00 10.00 O ATOM 0 H GLY A 56 -8.660 5.322 8.038 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.708 4.491 8.246 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.371 6.094 7.995 1.00 10.00 H new ATOM 849 N ILE A 57 -10.469 4.017 5.529 1.00 10.00 N ATOM 850 CA ILE A 57 -10.844 3.510 4.210 1.00 10.00 C ATOM 851 C ILE A 57 -10.683 1.992 4.154 1.00 10.00 C ATOM 852 O ILE A 57 -9.912 1.426 4.926 1.00 10.00 O ATOM 853 CB ILE A 57 -10.035 4.215 3.105 1.00 10.00 C ATOM 854 CG1 ILE A 57 -8.552 3.834 3.129 1.00 10.00 C ATOM 855 CG2 ILE A 57 -10.257 5.729 3.176 1.00 10.00 C ATOM 856 CD1 ILE A 57 -7.810 4.392 1.918 1.00 10.00 C ATOM 0 H ILE A 57 -9.609 3.608 5.894 1.00 10.00 H new ATOM 0 HA ILE A 57 -11.896 3.734 4.034 1.00 10.00 H new ATOM 0 HB ILE A 57 -10.404 3.866 2.141 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -8.093 4.211 4.043 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.455 2.749 3.148 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -9.681 6.218 2.391 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -11.316 5.948 3.039 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -9.932 6.099 4.148 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -6.761 4.102 1.969 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -8.253 3.994 1.005 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -7.886 5.479 1.914 1.00 10.00 H new ATOM 868 N THR A 58 -11.417 1.348 3.239 1.00 10.00 N ATOM 869 CA THR A 58 -11.422 -0.098 3.031 1.00 10.00 C ATOM 870 C THR A 58 -10.316 -0.556 2.076 1.00 10.00 C ATOM 871 O THR A 58 -9.950 -1.728 2.111 1.00 10.00 O ATOM 872 CB THR A 58 -12.812 -0.534 2.539 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.779 0.013 3.415 1.00 10.00 O ATOM 874 CG2 THR A 58 -12.969 -2.060 2.525 1.00 10.00 C ATOM 0 H THR A 58 -12.044 1.840 2.603 1.00 10.00 H new ATOM 0 HA THR A 58 -11.210 -0.582 3.984 1.00 10.00 H new ATOM 0 HB THR A 58 -12.942 -0.177 1.517 1.00 10.00 H new ATOM 0 HG1 THR A 58 -14.675 -0.251 3.119 1.00 10.00 H new ATOM 0 HG21 THR A 58 -13.966 -2.320 2.170 1.00 10.00 H new ATOM 0 HG22 THR A 58 -12.223 -2.496 1.861 1.00 10.00 H new ATOM 0 HG23 THR A 58 -12.830 -2.449 3.533 1.00 10.00 H new ATOM 882 N TRP A 59 -9.815 0.362 1.237 1.00 10.00 N ATOM 883 CA TRP A 59 -8.978 0.092 0.070 1.00 10.00 C ATOM 884 C TRP A 59 -9.763 -0.661 -1.007 1.00 10.00 C ATOM 885 O TRP A 59 -10.709 -1.385 -0.705 1.00 10.00 O ATOM 886 CB TRP A 59 -7.698 -0.642 0.468 1.00 10.00 C ATOM 887 CG TRP A 59 -6.921 0.092 1.503 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.956 -0.129 2.835 1.00 10.00 C ATOM 889 CD2 TRP A 59 -6.063 1.245 1.303 1.00 10.00 C ATOM 890 NE1 TRP A 59 -6.071 0.736 3.450 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.549 1.649 2.565 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.676 1.994 0.176 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.672 2.734 2.704 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -4.786 3.072 0.300 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.267 3.432 1.554 1.00 10.00 C ATOM 0 H TRP A 59 -9.994 1.358 1.364 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.677 1.047 -0.361 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.953 -1.633 0.844 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -7.076 -0.786 -0.415 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -7.573 -0.860 3.336 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.834 0.701 4.441 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -6.069 1.736 -0.796 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.314 3.028 3.679 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.497 3.630 -0.578 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -3.558 4.243 1.634 1.00 10.00 H new ATOM 906 N LYS A 60 -9.387 -0.472 -2.276 1.00 10.00 N ATOM 907 CA LYS A 60 -10.043 -1.136 -3.399 1.00 10.00 C ATOM 908 C LYS A 60 -9.165 -1.059 -4.647 1.00 10.00 C ATOM 909 O LYS A 60 -8.746 -2.078 -5.187 1.00 10.00 O ATOM 910 CB LYS A 60 -11.453 -0.553 -3.618 1.00 10.00 C ATOM 911 CG LYS A 60 -11.543 0.986 -3.669 1.00 10.00 C ATOM 912 CD LYS A 60 -12.759 1.476 -2.868 1.00 10.00 C ATOM 913 CE LYS A 60 -12.940 2.998 -2.989 1.00 10.00 C ATOM 914 NZ LYS A 60 -13.875 3.362 -4.072 1.00 10.00 N ATOM 0 H LYS A 60 -8.622 0.144 -2.549 1.00 10.00 H new ATOM 0 HA LYS A 60 -10.174 -2.194 -3.172 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -11.850 -0.952 -4.551 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -12.101 -0.910 -2.818 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -10.631 1.424 -3.263 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.623 1.318 -4.704 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -13.657 0.973 -3.225 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -12.638 1.206 -1.819 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -13.309 3.395 -2.043 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -11.972 3.464 -3.174 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -13.534 4.219 -4.552 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -13.933 2.582 -4.757 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -14.818 3.542 -3.671 1.00 10.00 H new ATOM 928 N GLU A 61 -8.882 0.173 -5.067 1.00 10.00 N ATOM 929 CA GLU A 61 -8.090 0.537 -6.228 1.00 10.00 C ATOM 930 C GLU A 61 -8.154 2.059 -6.335 1.00 10.00 C ATOM 931 O GLU A 61 -7.207 2.689 -5.897 1.00 10.00 O ATOM 932 CB GLU A 61 -8.498 -0.219 -7.498 1.00 10.00 C ATOM 933 CG GLU A 61 -10.019 -0.398 -7.672 1.00 10.00 C ATOM 934 CD GLU A 61 -10.520 0.273 -8.932 1.00 10.00 C ATOM 935 OE1 GLU A 61 -10.599 1.517 -8.864 1.00 10.00 O ATOM 936 OE2 GLU A 61 -10.801 -0.458 -9.904 1.00 10.00 O ATOM 0 H GLU A 61 -9.225 0.994 -4.568 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.051 0.229 -6.108 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -8.106 0.313 -8.365 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.028 -1.202 -7.488 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.259 -1.461 -7.705 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -10.536 0.019 -6.807 1.00 10.00 H new ATOM 943 N GLU A 62 -9.265 2.648 -6.790 1.00 10.00 N ATOM 944 CA GLU A 62 -9.561 4.087 -6.802 1.00 10.00 C ATOM 945 C GLU A 62 -8.730 4.928 -5.813 1.00 10.00 C ATOM 946 O GLU A 62 -7.921 5.756 -6.220 1.00 10.00 O ATOM 947 CB GLU A 62 -11.071 4.267 -6.569 1.00 10.00 C ATOM 948 CG GLU A 62 -11.578 5.646 -7.018 1.00 10.00 C ATOM 949 CD GLU A 62 -13.025 5.903 -6.614 1.00 10.00 C ATOM 950 OE1 GLU A 62 -13.445 5.310 -5.594 1.00 10.00 O ATOM 951 OE2 GLU A 62 -13.694 6.683 -7.319 1.00 10.00 O ATOM 0 H GLU A 62 -10.030 2.100 -7.184 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.267 4.473 -7.778 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.613 3.491 -7.109 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.290 4.131 -5.510 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -10.942 6.420 -6.587 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -11.488 5.726 -8.101 1.00 10.00 H new ATOM 958 N THR A 63 -8.901 4.725 -4.501 1.00 10.00 N ATOM 959 CA THR A 63 -8.155 5.493 -3.511 1.00 10.00 C ATOM 960 C THR A 63 -6.654 5.241 -3.653 1.00 10.00 C ATOM 961 O THR A 63 -5.847 6.162 -3.650 1.00 10.00 O ATOM 962 CB THR A 63 -8.652 5.117 -2.110 1.00 10.00 C ATOM 963 OG1 THR A 63 -10.049 5.326 -2.056 1.00 10.00 O ATOM 964 CG2 THR A 63 -7.945 5.929 -1.020 1.00 10.00 C ATOM 0 H THR A 63 -9.546 4.039 -4.108 1.00 10.00 H new ATOM 0 HA THR A 63 -8.321 6.558 -3.672 1.00 10.00 H new ATOM 0 HB THR A 63 -8.422 4.068 -1.924 1.00 10.00 H new ATOM 0 HG1 THR A 63 -10.381 5.088 -1.165 1.00 10.00 H new ATOM 0 HG21 THR A 63 -8.325 5.633 -0.042 1.00 10.00 H new ATOM 0 HG22 THR A 63 -6.872 5.741 -1.065 1.00 10.00 H new ATOM 0 HG23 THR A 63 -8.134 6.991 -1.177 1.00 10.00 H new ATOM 972 N LEU A 64 -6.290 3.968 -3.775 1.00 10.00 N ATOM 973 CA LEU A 64 -4.936 3.479 -3.929 1.00 10.00 C ATOM 974 C LEU A 64 -4.258 4.106 -5.150 1.00 10.00 C ATOM 975 O LEU A 64 -3.096 4.494 -5.076 1.00 10.00 O ATOM 976 CB LEU A 64 -5.007 1.947 -4.018 1.00 10.00 C ATOM 977 CG LEU A 64 -3.981 1.254 -3.129 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.451 -0.177 -2.891 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.580 1.293 -3.739 1.00 10.00 C ATOM 0 H LEU A 64 -6.975 3.213 -3.768 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.322 3.764 -3.075 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -6.007 1.617 -3.736 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -4.851 1.640 -5.052 1.00 10.00 H new ATOM 0 HG LEU A 64 -3.906 1.781 -2.178 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -3.732 -0.695 -2.256 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -5.424 -0.163 -2.401 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -4.533 -0.697 -3.846 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -1.879 0.788 -3.074 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -2.590 0.789 -4.705 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -2.270 2.329 -3.873 1.00 10.00 H new ATOM 991 N MET A 65 -4.986 4.228 -6.262 1.00 10.00 N ATOM 992 CA MET A 65 -4.513 4.835 -7.495 1.00 10.00 C ATOM 993 C MET A 65 -3.953 6.230 -7.203 1.00 10.00 C ATOM 994 O MET A 65 -2.837 6.540 -7.618 1.00 10.00 O ATOM 995 CB MET A 65 -5.651 4.841 -8.539 1.00 10.00 C ATOM 996 CG MET A 65 -6.000 3.431 -9.048 1.00 10.00 C ATOM 997 SD MET A 65 -7.678 3.173 -9.675 1.00 10.00 S ATOM 998 CE MET A 65 -7.671 4.173 -11.176 1.00 10.00 C ATOM 0 H MET A 65 -5.948 3.896 -6.325 1.00 10.00 H new ATOM 0 HA MET A 65 -3.696 4.252 -7.921 1.00 10.00 H new ATOM 0 HB2 MET A 65 -6.539 5.294 -8.099 1.00 10.00 H new ATOM 0 HB3 MET A 65 -5.360 5.466 -9.384 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.299 3.175 -9.842 1.00 10.00 H new ATOM 0 HG3 MET A 65 -5.831 2.726 -8.234 1.00 10.00 H new ATOM 0 HE1 MET A 65 -8.688 4.265 -11.557 1.00 10.00 H new ATOM 0 HE2 MET A 65 -7.276 5.164 -10.951 1.00 10.00 H new ATOM 0 HE3 MET A 65 -7.044 3.695 -11.929 1.00 10.00 H new ATOM 1008 N GLU A 66 -4.683 7.040 -6.429 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.202 8.359 -6.054 1.00 10.00 C ATOM 1010 C GLU A 66 -3.183 8.238 -4.929 1.00 10.00 C ATOM 1011 O GLU A 66 -2.233 9.008 -4.884 1.00 10.00 O ATOM 1012 CB GLU A 66 -5.349 9.280 -5.637 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.141 9.851 -6.817 1.00 10.00 C ATOM 1014 CD GLU A 66 -6.846 11.133 -6.387 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -7.777 11.021 -5.559 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -6.401 12.207 -6.847 1.00 10.00 O ATOM 0 H GLU A 66 -5.602 6.801 -6.056 1.00 10.00 H new ATOM 0 HA GLU A 66 -3.725 8.805 -6.927 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.029 8.728 -4.988 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -4.946 10.104 -5.049 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -5.472 10.055 -7.653 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -6.872 9.121 -7.165 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.358 7.290 -4.008 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.447 7.106 -2.893 1.00 10.00 C ATOM 1025 C TYR A 67 -1.027 6.894 -3.404 1.00 10.00 C ATOM 1026 O TYR A 67 -0.125 7.592 -2.972 1.00 10.00 O ATOM 1027 CB TYR A 67 -2.906 5.949 -1.999 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.304 5.961 -0.600 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -2.690 6.972 0.297 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.414 4.956 -0.166 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -2.180 7.000 1.605 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -0.935 4.960 1.162 1.00 10.00 C ATOM 1033 CZ TYR A 67 -1.316 5.987 2.047 1.00 10.00 C ATOM 1034 OH TYR A 67 -0.975 5.968 3.369 1.00 10.00 O ATOM 0 H TYR A 67 -4.137 6.632 -4.020 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.452 8.008 -2.281 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -3.992 5.979 -1.915 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.650 5.007 -2.484 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -3.385 7.734 -0.023 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.099 4.183 -0.851 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -2.454 7.804 2.273 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.275 4.174 1.500 1.00 10.00 H new ATOM 0 HH TYR A 67 -0.124 5.495 3.480 1.00 10.00 H new ATOM 1044 N LEU A 68 -0.805 5.978 -4.346 1.00 10.00 N ATOM 1045 CA LEU A 68 0.532 5.762 -4.893 1.00 10.00 C ATOM 1046 C LEU A 68 1.006 6.990 -5.682 1.00 10.00 C ATOM 1047 O LEU A 68 2.193 7.326 -5.670 1.00 10.00 O ATOM 1048 CB LEU A 68 0.575 4.481 -5.736 1.00 10.00 C ATOM 1049 CG LEU A 68 0.061 3.240 -4.989 1.00 10.00 C ATOM 1050 CD1 LEU A 68 0.213 2.005 -5.880 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.729 2.998 -3.627 1.00 10.00 C ATOM 0 H LEU A 68 -1.528 5.378 -4.743 1.00 10.00 H new ATOM 0 HA LEU A 68 1.227 5.626 -4.065 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.022 4.627 -6.636 1.00 10.00 H new ATOM 0 HB3 LEU A 68 1.600 4.302 -6.059 1.00 10.00 H new ATOM 0 HG LEU A 68 -0.990 3.430 -4.769 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.152 1.126 -5.349 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -0.365 2.142 -6.794 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.264 1.866 -6.133 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.308 2.103 -3.169 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.802 2.863 -3.767 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.552 3.856 -2.978 1.00 10.00 H new ATOM 1063 N GLU A 69 0.085 7.685 -6.354 1.00 10.00 N ATOM 1064 CA GLU A 69 0.396 8.935 -7.033 1.00 10.00 C ATOM 1065 C GLU A 69 0.587 10.122 -6.075 1.00 10.00 C ATOM 1066 O GLU A 69 1.186 11.120 -6.474 1.00 10.00 O ATOM 1067 CB GLU A 69 -0.550 9.151 -8.226 1.00 10.00 C ATOM 1068 CG GLU A 69 -0.012 8.351 -9.435 1.00 10.00 C ATOM 1069 CD GLU A 69 -1.075 7.730 -10.324 1.00 10.00 C ATOM 1070 OE1 GLU A 69 -2.181 8.294 -10.471 1.00 10.00 O ATOM 1071 OE2 GLU A 69 -0.779 6.640 -10.858 1.00 10.00 O ATOM 0 H GLU A 69 -0.889 7.396 -6.440 1.00 10.00 H new ATOM 0 HA GLU A 69 1.389 8.859 -7.475 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.558 8.822 -7.973 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -0.613 10.211 -8.472 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.606 9.013 -10.042 1.00 10.00 H new ATOM 0 HG3 GLU A 69 0.638 7.558 -9.065 1.00 10.00 H new ATOM 1078 N ASN A 70 0.175 10.020 -4.804 1.00 10.00 N ATOM 1079 CA ASN A 70 0.325 11.084 -3.816 1.00 10.00 C ATOM 1080 C ASN A 70 0.058 10.615 -2.378 1.00 10.00 C ATOM 1081 O ASN A 70 -0.923 11.048 -1.769 1.00 10.00 O ATOM 1082 CB ASN A 70 -0.573 12.272 -4.193 1.00 10.00 C ATOM 1083 CG ASN A 70 -0.078 13.569 -3.563 1.00 10.00 C ATOM 1084 OD1 ASN A 70 0.698 13.571 -2.601 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -0.489 14.697 -4.133 1.00 10.00 N ATOM 0 H ASN A 70 -0.277 9.184 -4.434 1.00 10.00 H new ATOM 0 HA ASN A 70 1.368 11.400 -3.833 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -0.599 12.380 -5.277 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -1.594 12.075 -3.868 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -0.164 15.596 -3.778 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -1.130 14.664 -4.926 1.00 10.00 H new ATOM 1092 N PRO A 71 0.951 9.817 -1.764 1.00 10.00 N ATOM 1093 CA PRO A 71 0.720 9.258 -0.435 1.00 10.00 C ATOM 1094 C PRO A 71 1.096 10.277 0.649 1.00 10.00 C ATOM 1095 O PRO A 71 1.857 9.979 1.567 1.00 10.00 O ATOM 1096 CB PRO A 71 1.578 7.990 -0.386 1.00 10.00 C ATOM 1097 CG PRO A 71 2.748 8.297 -1.323 1.00 10.00 C ATOM 1098 CD PRO A 71 2.170 9.273 -2.351 1.00 10.00 C ATOM 0 HA PRO A 71 -0.327 9.020 -0.248 1.00 10.00 H new ATOM 0 HB2 PRO A 71 1.922 7.780 0.627 1.00 10.00 H new ATOM 0 HB3 PRO A 71 1.018 7.116 -0.720 1.00 10.00 H new ATOM 0 HG2 PRO A 71 3.584 8.740 -0.782 1.00 10.00 H new ATOM 0 HG3 PRO A 71 3.121 7.392 -1.801 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.882 10.068 -2.574 1.00 10.00 H new ATOM 0 HD3 PRO A 71 1.955 8.765 -3.291 1.00 10.00 H new ATOM 1106 N LYS A 72 0.592 11.505 0.506 1.00 10.00 N ATOM 1107 CA LYS A 72 0.860 12.635 1.381 1.00 10.00 C ATOM 1108 C LYS A 72 -0.395 13.497 1.460 1.00 10.00 C ATOM 1109 O LYS A 72 -0.864 13.787 2.554 1.00 10.00 O ATOM 1110 CB LYS A 72 2.052 13.471 0.885 1.00 10.00 C ATOM 1111 CG LYS A 72 3.397 12.735 0.965 1.00 10.00 C ATOM 1112 CD LYS A 72 3.811 12.022 -0.333 1.00 10.00 C ATOM 1113 CE LYS A 72 4.344 12.980 -1.412 1.00 10.00 C ATOM 1114 NZ LYS A 72 3.338 13.319 -2.443 1.00 10.00 N ATOM 0 H LYS A 72 -0.041 11.743 -0.258 1.00 10.00 H new ATOM 0 HA LYS A 72 1.123 12.259 2.370 1.00 10.00 H new ATOM 0 HB2 LYS A 72 1.871 13.768 -0.148 1.00 10.00 H new ATOM 0 HB3 LYS A 72 2.113 14.386 1.474 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.173 13.451 1.235 1.00 10.00 H new ATOM 0 HG3 LYS A 72 3.348 12.000 1.769 1.00 10.00 H new ATOM 0 HD2 LYS A 72 4.578 11.282 -0.104 1.00 10.00 H new ATOM 0 HD3 LYS A 72 2.953 11.480 -0.731 1.00 10.00 H new ATOM 0 HE2 LYS A 72 4.689 13.898 -0.935 1.00 10.00 H new ATOM 0 HE3 LYS A 72 5.210 12.527 -1.895 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 3.515 14.280 -2.798 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 3.405 12.642 -3.229 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 2.386 13.273 -2.027 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.959 13.877 0.305 1.00 10.00 N ATOM 1129 CA LYS A 73 -2.182 14.680 0.243 1.00 10.00 C ATOM 1130 C LYS A 73 -3.277 14.085 1.137 1.00 10.00 C ATOM 1131 O LYS A 73 -4.003 14.820 1.801 1.00 10.00 O ATOM 1132 CB LYS A 73 -2.660 14.807 -1.216 1.00 10.00 C ATOM 1133 CG LYS A 73 -2.903 16.257 -1.660 1.00 10.00 C ATOM 1134 CD LYS A 73 -4.177 16.838 -1.025 1.00 10.00 C ATOM 1135 CE LYS A 73 -4.418 18.310 -1.399 1.00 10.00 C ATOM 1136 NZ LYS A 73 -4.597 18.516 -2.853 1.00 10.00 N ATOM 0 H LYS A 73 -0.579 13.635 -0.610 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.961 15.679 0.619 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -1.918 14.354 -1.873 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -3.582 14.239 -1.338 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -2.046 16.871 -1.384 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -2.987 16.296 -2.746 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -5.036 16.244 -1.338 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -4.108 16.751 0.059 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -5.303 18.672 -0.875 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -3.575 18.909 -1.054 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -4.789 19.521 -3.040 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -3.731 18.230 -3.353 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -5.397 17.942 -3.189 1.00 10.00 H new ATOM 1150 N TYR A 74 -3.375 12.753 1.157 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.291 12.036 2.038 1.00 10.00 C ATOM 1152 C TYR A 74 -4.045 12.330 3.519 1.00 10.00 C ATOM 1153 O TYR A 74 -4.993 12.496 4.281 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.166 10.530 1.793 1.00 10.00 C ATOM 1155 CG TYR A 74 -4.909 10.078 0.560 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -6.271 9.744 0.661 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -4.286 10.116 -0.700 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -7.013 9.461 -0.496 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -5.012 9.763 -1.848 1.00 10.00 C ATOM 1160 CZ TYR A 74 -6.382 9.463 -1.749 1.00 10.00 C ATOM 1161 OH TYR A 74 -7.086 9.121 -2.859 1.00 10.00 O ATOM 0 H TYR A 74 -2.818 12.143 0.559 1.00 10.00 H new ATOM 0 HA TYR A 74 -5.297 12.383 1.802 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.113 10.268 1.694 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.548 9.992 2.660 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -6.747 9.705 1.630 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -3.252 10.416 -0.784 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -8.068 9.242 -0.422 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -4.518 9.722 -2.808 1.00 10.00 H new ATOM 0 HH TYR A 74 -7.120 9.884 -3.473 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.779 12.319 3.936 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.379 12.439 5.327 1.00 10.00 C ATOM 1173 C ILE A 75 -0.888 12.812 5.349 1.00 10.00 C ATOM 1174 O ILE A 75 -0.034 11.939 5.185 1.00 10.00 O ATOM 1175 CB ILE A 75 -2.738 11.151 6.116 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -2.287 11.226 7.582 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -2.205 9.842 5.513 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -3.225 12.068 8.450 1.00 10.00 C ATOM 0 H ILE A 75 -1.990 12.224 3.297 1.00 10.00 H new ATOM 0 HA ILE A 75 -2.926 13.229 5.841 1.00 10.00 H new ATOM 0 HB ILE A 75 -3.825 11.118 6.049 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -2.229 10.217 7.991 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -1.283 11.647 7.627 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -2.510 9.003 6.138 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -2.610 9.713 4.509 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.117 9.881 5.463 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -2.855 12.084 9.475 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -3.264 13.086 8.062 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -4.225 11.634 8.432 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.531 14.098 5.508 1.00 10.00 N ATOM 1191 CA PRO A 76 0.855 14.535 5.431 1.00 10.00 C ATOM 1192 C PRO A 76 1.581 14.229 6.747 1.00 10.00 C ATOM 1193 O PRO A 76 2.033 15.131 7.447 1.00 10.00 O ATOM 1194 CB PRO A 76 0.780 16.029 5.094 1.00 10.00 C ATOM 1195 CG PRO A 76 -0.529 16.468 5.748 1.00 10.00 C ATOM 1196 CD PRO A 76 -1.428 15.240 5.592 1.00 10.00 C ATOM 0 HA PRO A 76 1.436 14.013 4.671 1.00 10.00 H new ATOM 0 HB2 PRO A 76 1.634 16.576 5.495 1.00 10.00 H new ATOM 0 HB3 PRO A 76 0.769 16.199 4.017 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -0.387 16.732 6.796 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -0.953 17.342 5.254 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -2.107 15.142 6.439 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -2.045 15.319 4.697 1.00 10.00 H new ATOM 1204 N GLY A 77 1.698 12.941 7.081 1.00 10.00 N ATOM 1205 CA GLY A 77 2.336 12.479 8.304 1.00 10.00 C ATOM 1206 C GLY A 77 2.393 10.954 8.328 1.00 10.00 C ATOM 1207 O GLY A 77 2.042 10.333 9.327 1.00 10.00 O ATOM 0 H GLY A 77 1.345 12.183 6.497 1.00 10.00 H new ATOM 0 HA2 GLY A 77 3.344 12.889 8.374 1.00 10.00 H new ATOM 0 HA3 GLY A 77 1.784 12.843 9.170 1.00 10.00 H new ATOM 1211 N THR A 78 2.841 10.365 7.215 1.00 10.00 N ATOM 1212 CA THR A 78 2.969 8.924 7.044 1.00 10.00 C ATOM 1213 C THR A 78 4.397 8.598 6.621 1.00 10.00 C ATOM 1214 O THR A 78 5.164 8.062 7.417 1.00 10.00 O ATOM 1215 CB THR A 78 1.885 8.428 6.073 1.00 10.00 C ATOM 1216 OG1 THR A 78 0.642 8.526 6.730 1.00 10.00 O ATOM 1217 CG2 THR A 78 2.076 6.972 5.647 1.00 10.00 C ATOM 0 H THR A 78 3.130 10.894 6.392 1.00 10.00 H new ATOM 0 HA THR A 78 2.799 8.389 7.979 1.00 10.00 H new ATOM 0 HB THR A 78 1.942 9.042 5.174 1.00 10.00 H new ATOM 0 HG1 THR A 78 -0.045 8.073 6.199 1.00 10.00 H new ATOM 0 HG21 THR A 78 1.278 6.685 4.962 1.00 10.00 H new ATOM 0 HG22 THR A 78 3.039 6.862 5.148 1.00 10.00 H new ATOM 0 HG23 THR A 78 2.048 6.329 6.527 1.00 10.00 H new ATOM 1225 N LYS A 79 4.765 8.932 5.381 1.00 10.00 N ATOM 1226 CA LYS A 79 6.125 8.799 4.883 1.00 10.00 C ATOM 1227 C LYS A 79 6.232 9.520 3.545 1.00 10.00 C ATOM 1228 O LYS A 79 5.971 8.948 2.488 1.00 10.00 O ATOM 1229 CB LYS A 79 6.566 7.329 4.814 1.00 10.00 C ATOM 1230 CG LYS A 79 5.710 6.442 3.898 1.00 10.00 C ATOM 1231 CD LYS A 79 5.250 5.147 4.585 1.00 10.00 C ATOM 1232 CE LYS A 79 6.392 4.168 4.906 1.00 10.00 C ATOM 1233 NZ LYS A 79 7.231 4.575 6.052 1.00 10.00 N ATOM 0 H LYS A 79 4.114 9.307 4.691 1.00 10.00 H new ATOM 0 HA LYS A 79 6.818 9.270 5.580 1.00 10.00 H new ATOM 0 HB2 LYS A 79 7.600 7.290 4.471 1.00 10.00 H new ATOM 0 HB3 LYS A 79 6.548 6.911 5.821 1.00 10.00 H new ATOM 0 HG2 LYS A 79 4.836 7.004 3.569 1.00 10.00 H new ATOM 0 HG3 LYS A 79 6.282 6.191 3.005 1.00 10.00 H new ATOM 0 HD2 LYS A 79 4.734 5.403 5.510 1.00 10.00 H new ATOM 0 HD3 LYS A 79 4.525 4.646 3.944 1.00 10.00 H new ATOM 0 HE2 LYS A 79 5.967 3.186 5.111 1.00 10.00 H new ATOM 0 HE3 LYS A 79 7.025 4.064 4.025 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 7.702 3.738 6.452 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 7.949 5.256 5.732 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 6.634 5.017 6.780 1.00 10.00 H new ATOM 1247 N MET A 80 6.589 10.800 3.593 1.00 10.00 N ATOM 1248 CA MET A 80 6.869 11.541 2.384 1.00 10.00 C ATOM 1249 C MET A 80 8.228 11.087 1.860 1.00 10.00 C ATOM 1250 O MET A 80 9.252 11.483 2.411 1.00 10.00 O ATOM 1251 CB MET A 80 6.834 13.044 2.686 1.00 10.00 C ATOM 1252 CG MET A 80 7.267 13.874 1.472 1.00 10.00 C ATOM 1253 SD MET A 80 7.023 15.655 1.663 1.00 10.00 S ATOM 1254 CE MET A 80 7.808 16.231 0.142 1.00 10.00 C ATOM 0 H MET A 80 6.689 11.337 4.455 1.00 10.00 H new ATOM 0 HA MET A 80 6.119 11.352 1.616 1.00 10.00 H new ATOM 0 HB2 MET A 80 5.826 13.332 2.984 1.00 10.00 H new ATOM 0 HB3 MET A 80 7.490 13.262 3.529 1.00 10.00 H new ATOM 0 HG2 MET A 80 8.322 13.683 1.273 1.00 10.00 H new ATOM 0 HG3 MET A 80 6.711 13.535 0.598 1.00 10.00 H new ATOM 0 HE1 MET A 80 7.750 17.318 0.092 1.00 10.00 H new ATOM 0 HE2 MET A 80 8.853 15.922 0.133 1.00 10.00 H new ATOM 0 HE3 MET A 80 7.295 15.800 -0.718 1.00 10.00 H new ATOM 1264 N ILE A 81 8.230 10.252 0.817 1.00 10.00 N ATOM 1265 CA ILE A 81 9.459 9.744 0.219 1.00 10.00 C ATOM 1266 C ILE A 81 9.468 9.859 -1.303 1.00 10.00 C ATOM 1267 O ILE A 81 10.386 10.439 -1.875 1.00 10.00 O ATOM 1268 CB ILE A 81 9.745 8.296 0.677 1.00 10.00 C ATOM 1269 CG1 ILE A 81 8.444 7.484 0.830 1.00 10.00 C ATOM 1270 CG2 ILE A 81 10.526 8.288 1.998 1.00 10.00 C ATOM 1271 CD1 ILE A 81 8.642 5.973 0.760 1.00 10.00 C ATOM 0 H ILE A 81 7.380 9.912 0.367 1.00 10.00 H new ATOM 0 HA ILE A 81 10.267 10.380 0.579 1.00 10.00 H new ATOM 0 HB ILE A 81 10.351 7.824 -0.096 1.00 10.00 H new ATOM 0 HG12 ILE A 81 7.981 7.735 1.784 1.00 10.00 H new ATOM 0 HG13 ILE A 81 7.746 7.785 0.049 1.00 10.00 H new ATOM 0 HG21 ILE A 81 10.716 7.259 2.302 1.00 10.00 H new ATOM 0 HG22 ILE A 81 11.474 8.808 1.863 1.00 10.00 H new ATOM 0 HG23 ILE A 81 9.943 8.792 2.769 1.00 10.00 H new ATOM 0 HD11 ILE A 81 7.680 5.474 0.876 1.00 10.00 H new ATOM 0 HD12 ILE A 81 9.075 5.707 -0.204 1.00 10.00 H new ATOM 0 HD13 ILE A 81 9.313 5.657 1.558 1.00 10.00 H new ATOM 1283 N PHE A 82 8.456 9.310 -1.969 1.00 10.00 N ATOM 1284 CA PHE A 82 8.246 9.483 -3.391 1.00 10.00 C ATOM 1285 C PHE A 82 6.740 9.493 -3.598 1.00 10.00 C ATOM 1286 O PHE A 82 5.976 9.323 -2.643 1.00 10.00 O ATOM 1287 CB PHE A 82 8.948 8.380 -4.203 1.00 10.00 C ATOM 1288 CG PHE A 82 8.247 7.031 -4.218 1.00 10.00 C ATOM 1289 CD1 PHE A 82 8.474 6.106 -3.183 1.00 10.00 C ATOM 1290 CD2 PHE A 82 7.381 6.691 -5.277 1.00 10.00 C ATOM 1291 CE1 PHE A 82 7.826 4.858 -3.195 1.00 10.00 C ATOM 1292 CE2 PHE A 82 6.715 5.454 -5.276 1.00 10.00 C ATOM 1293 CZ PHE A 82 6.940 4.534 -4.238 1.00 10.00 C ATOM 0 H PHE A 82 7.751 8.724 -1.522 1.00 10.00 H new ATOM 0 HA PHE A 82 8.684 10.415 -3.749 1.00 10.00 H new ATOM 0 HB2 PHE A 82 9.058 8.724 -5.231 1.00 10.00 H new ATOM 0 HB3 PHE A 82 9.953 8.243 -3.804 1.00 10.00 H new ATOM 0 HD1 PHE A 82 9.148 6.355 -2.377 1.00 10.00 H new ATOM 0 HD2 PHE A 82 7.229 7.384 -6.092 1.00 10.00 H new ATOM 0 HE1 PHE A 82 8.009 4.148 -2.402 1.00 10.00 H new ATOM 0 HE2 PHE A 82 6.029 5.210 -6.074 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.434 3.580 -4.241 1.00 10.00 H new ATOM 1303 N ALA A 83 6.319 9.705 -4.838 1.00 10.00 N ATOM 1304 CA ALA A 83 4.939 9.628 -5.251 1.00 10.00 C ATOM 1305 C ALA A 83 4.960 9.495 -6.764 1.00 10.00 C ATOM 1306 O ALA A 83 5.946 9.893 -7.381 1.00 10.00 O ATOM 1307 CB ALA A 83 4.226 10.913 -4.840 1.00 10.00 C ATOM 0 H ALA A 83 6.953 9.942 -5.601 1.00 10.00 H new ATOM 0 HA ALA A 83 4.416 8.788 -4.793 1.00 10.00 H new ATOM 0 HB1 ALA A 83 3.182 10.864 -5.148 1.00 10.00 H new ATOM 0 HB2 ALA A 83 4.280 11.029 -3.758 1.00 10.00 H new ATOM 0 HB3 ALA A 83 4.706 11.765 -5.320 1.00 10.00 H new ATOM 1313 N GLY A 84 3.899 8.949 -7.353 1.00 10.00 N ATOM 1314 CA GLY A 84 3.779 8.917 -8.801 1.00 10.00 C ATOM 1315 C GLY A 84 4.677 7.829 -9.358 1.00 10.00 C ATOM 1316 O GLY A 84 5.723 8.130 -9.924 1.00 10.00 O ATOM 0 H GLY A 84 3.118 8.527 -6.851 1.00 10.00 H new ATOM 0 HA2 GLY A 84 2.744 8.731 -9.087 1.00 10.00 H new ATOM 0 HA3 GLY A 84 4.057 9.884 -9.221 1.00 10.00 H new ATOM 1320 N ILE A 85 4.249 6.570 -9.185 1.00 10.00 N ATOM 1321 CA ILE A 85 4.946 5.370 -9.643 1.00 10.00 C ATOM 1322 C ILE A 85 5.638 5.628 -10.969 1.00 10.00 C ATOM 1323 O ILE A 85 6.864 5.699 -11.016 1.00 10.00 O ATOM 1324 CB ILE A 85 3.958 4.179 -9.684 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.996 3.503 -8.331 1.00 10.00 C ATOM 1326 CG2 ILE A 85 4.130 3.114 -10.781 1.00 10.00 C ATOM 1327 CD1 ILE A 85 5.219 2.609 -8.150 1.00 10.00 C ATOM 0 H ILE A 85 3.375 6.357 -8.704 1.00 10.00 H new ATOM 0 HA ILE A 85 5.736 5.104 -8.940 1.00 10.00 H new ATOM 0 HB ILE A 85 3.002 4.635 -9.940 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.989 4.263 -7.550 1.00 10.00 H new ATOM 0 HG13 ILE A 85 3.093 2.906 -8.203 1.00 10.00 H new ATOM 0 HG21 ILE A 85 3.360 2.350 -10.670 1.00 10.00 H new ATOM 0 HG22 ILE A 85 4.038 3.583 -11.761 1.00 10.00 H new ATOM 0 HG23 ILE A 85 5.114 2.653 -10.690 1.00 10.00 H new ATOM 0 HD11 ILE A 85 5.192 2.151 -7.161 1.00 10.00 H new ATOM 0 HD12 ILE A 85 5.215 1.829 -8.911 1.00 10.00 H new ATOM 0 HD13 ILE A 85 6.125 3.207 -8.248 1.00 10.00 H new ATOM 1339 N LYS A 86 4.832 5.769 -12.023 1.00 10.00 N ATOM 1340 CA LYS A 86 5.258 6.263 -13.323 1.00 10.00 C ATOM 1341 C LYS A 86 4.218 7.204 -13.935 1.00 10.00 C ATOM 1342 O LYS A 86 4.551 8.326 -14.302 1.00 10.00 O ATOM 1343 CB LYS A 86 5.572 5.098 -14.268 1.00 10.00 C ATOM 1344 CG LYS A 86 6.493 4.079 -13.591 1.00 10.00 C ATOM 1345 CD LYS A 86 7.339 3.331 -14.617 1.00 10.00 C ATOM 1346 CE LYS A 86 8.604 4.130 -14.982 1.00 10.00 C ATOM 1347 NZ LYS A 86 9.571 3.330 -15.764 1.00 10.00 N ATOM 0 H LYS A 86 3.840 5.535 -11.990 1.00 10.00 H new ATOM 0 HA LYS A 86 6.171 6.840 -13.177 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.645 4.611 -14.572 1.00 10.00 H new ATOM 0 HB3 LYS A 86 6.045 5.477 -15.174 1.00 10.00 H new ATOM 0 HG2 LYS A 86 7.144 4.589 -12.881 1.00 10.00 H new ATOM 0 HG3 LYS A 86 5.896 3.368 -13.021 1.00 10.00 H new ATOM 0 HD2 LYS A 86 7.623 2.357 -14.218 1.00 10.00 H new ATOM 0 HD3 LYS A 86 6.749 3.148 -15.515 1.00 10.00 H new ATOM 0 HE2 LYS A 86 8.320 5.013 -15.555 1.00 10.00 H new ATOM 0 HE3 LYS A 86 9.083 4.483 -14.069 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 10.404 3.912 -15.985 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 9.865 2.501 -15.209 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 9.125 3.014 -16.649 1.00 10.00 H new ATOM 1361 N LYS A 87 2.976 6.733 -14.111 1.00 10.00 N ATOM 1362 CA LYS A 87 1.952 7.511 -14.803 1.00 10.00 C ATOM 1363 C LYS A 87 0.525 7.094 -14.470 1.00 10.00 C ATOM 1364 O LYS A 87 -0.270 7.886 -13.979 1.00 10.00 O ATOM 1365 CB LYS A 87 2.197 7.516 -16.316 1.00 10.00 C ATOM 1366 CG LYS A 87 2.830 6.265 -16.939 1.00 10.00 C ATOM 1367 CD LYS A 87 3.163 6.509 -18.422 1.00 10.00 C ATOM 1368 CE LYS A 87 1.932 6.939 -19.237 1.00 10.00 C ATOM 1369 NZ LYS A 87 2.221 7.040 -20.685 1.00 10.00 N ATOM 0 H LYS A 87 2.662 5.820 -13.783 1.00 10.00 H new ATOM 0 HA LYS A 87 2.048 8.530 -14.429 1.00 10.00 H new ATOM 0 HB2 LYS A 87 1.241 7.690 -16.810 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.836 8.367 -16.550 1.00 10.00 H new ATOM 0 HG2 LYS A 87 3.737 6.001 -16.396 1.00 10.00 H new ATOM 0 HG3 LYS A 87 2.146 5.421 -16.848 1.00 10.00 H new ATOM 0 HD2 LYS A 87 3.932 7.278 -18.497 1.00 10.00 H new ATOM 0 HD3 LYS A 87 3.580 5.599 -18.852 1.00 10.00 H new ATOM 0 HE2 LYS A 87 1.127 6.222 -19.079 1.00 10.00 H new ATOM 0 HE3 LYS A 87 1.577 7.903 -18.872 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 1.361 7.333 -21.191 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 2.971 7.744 -20.841 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 2.535 6.115 -21.042 1.00 10.00 H new ATOM 1383 N LYS A 88 0.194 5.861 -14.829 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.109 5.269 -14.587 1.00 10.00 C ATOM 1385 C LYS A 88 -0.940 3.773 -14.802 1.00 10.00 C ATOM 1386 O LYS A 88 -1.286 2.971 -13.946 1.00 10.00 O ATOM 1387 CB LYS A 88 -2.220 5.914 -15.462 1.00 10.00 C ATOM 1388 CG LYS A 88 -2.931 4.980 -16.464 1.00 10.00 C ATOM 1389 CD LYS A 88 -4.140 5.629 -17.162 1.00 10.00 C ATOM 1390 CE LYS A 88 -3.756 6.407 -18.432 1.00 10.00 C ATOM 1391 NZ LYS A 88 -4.950 6.853 -19.184 1.00 10.00 N ATOM 0 H LYS A 88 0.840 5.233 -15.307 1.00 10.00 H new ATOM 0 HA LYS A 88 -1.452 5.457 -13.570 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -2.973 6.341 -14.799 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -1.780 6.741 -16.019 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -2.214 4.660 -17.220 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -3.263 4.084 -15.940 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -4.861 4.854 -17.422 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -4.635 6.305 -16.465 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -3.153 7.273 -18.159 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -3.138 5.777 -19.072 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -4.651 7.374 -20.033 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -5.512 6.025 -19.466 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -5.527 7.475 -18.582 1.00 10.00 H new ATOM 1405 N THR A 89 -0.352 3.418 -15.946 1.00 10.00 N ATOM 1406 CA THR A 89 -0.288 2.058 -16.446 1.00 10.00 C ATOM 1407 C THR A 89 0.366 1.171 -15.400 1.00 10.00 C ATOM 1408 O THR A 89 -0.280 0.293 -14.844 1.00 10.00 O ATOM 1409 CB THR A 89 0.485 2.080 -17.772 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.158 3.000 -18.637 1.00 10.00 O ATOM 1411 CG2 THR A 89 0.614 0.688 -18.399 1.00 10.00 C ATOM 0 H THR A 89 0.103 4.092 -16.561 1.00 10.00 H new ATOM 0 HA THR A 89 -1.280 1.648 -16.635 1.00 10.00 H new ATOM 0 HB THR A 89 1.510 2.401 -17.589 1.00 10.00 H new ATOM 0 HG1 THR A 89 0.319 3.033 -19.492 1.00 10.00 H new ATOM 0 HG21 THR A 89 1.169 0.760 -19.334 1.00 10.00 H new ATOM 0 HG22 THR A 89 1.144 0.028 -17.713 1.00 10.00 H new ATOM 0 HG23 THR A 89 -0.379 0.284 -18.597 1.00 10.00 H new ATOM 1419 N GLU A 90 1.622 1.473 -15.072 1.00 10.00 N ATOM 1420 CA GLU A 90 2.370 0.683 -14.110 1.00 10.00 C ATOM 1421 C GLU A 90 1.636 0.587 -12.771 1.00 10.00 C ATOM 1422 O GLU A 90 1.495 -0.496 -12.213 1.00 10.00 O ATOM 1423 CB GLU A 90 3.766 1.292 -13.946 1.00 10.00 C ATOM 1424 CG GLU A 90 4.774 0.692 -14.953 1.00 10.00 C ATOM 1425 CD GLU A 90 6.039 0.096 -14.334 1.00 10.00 C ATOM 1426 OE1 GLU A 90 6.506 0.609 -13.289 1.00 10.00 O ATOM 1427 OE2 GLU A 90 6.559 -0.851 -14.970 1.00 10.00 O ATOM 0 H GLU A 90 2.138 2.261 -15.462 1.00 10.00 H new ATOM 0 HA GLU A 90 2.467 -0.337 -14.481 1.00 10.00 H new ATOM 0 HB2 GLU A 90 3.711 2.372 -14.086 1.00 10.00 H new ATOM 0 HB3 GLU A 90 4.121 1.120 -12.930 1.00 10.00 H new ATOM 0 HG2 GLU A 90 4.270 -0.085 -15.528 1.00 10.00 H new ATOM 0 HG3 GLU A 90 5.066 1.471 -15.657 1.00 10.00 H new ATOM 1434 N ARG A 91 1.162 1.723 -12.258 1.00 10.00 N ATOM 1435 CA ARG A 91 0.380 1.781 -11.030 1.00 10.00 C ATOM 1436 C ARG A 91 -0.833 0.832 -11.105 1.00 10.00 C ATOM 1437 O ARG A 91 -1.200 0.178 -10.130 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.015 3.249 -10.790 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.137 3.419 -9.762 1.00 10.00 C ATOM 1440 CD ARG A 91 -2.496 3.523 -10.467 1.00 10.00 C ATOM 1441 NE ARG A 91 -2.749 4.908 -10.882 1.00 10.00 N ATOM 1442 CZ ARG A 91 -3.702 5.375 -11.698 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -4.495 4.538 -12.380 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -3.847 6.697 -11.832 1.00 10.00 N ATOM 0 H ARG A 91 1.313 2.635 -12.690 1.00 10.00 H new ATOM 0 HA ARG A 91 0.966 1.435 -10.179 1.00 10.00 H new ATOM 0 HB2 ARG A 91 0.862 3.803 -10.454 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -0.329 3.692 -11.735 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -1.140 2.573 -9.075 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -0.960 4.314 -9.165 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -2.513 2.866 -11.337 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -3.288 3.186 -9.798 1.00 10.00 H new ATOM 0 HE ARG A 91 -2.114 5.608 -10.497 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -4.377 3.530 -12.281 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -5.217 4.909 -12.998 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -3.237 7.332 -11.317 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -4.568 7.071 -12.449 1.00 10.00 H new ATOM 1458 N GLU A 92 -1.480 0.775 -12.265 1.00 10.00 N ATOM 1459 CA GLU A 92 -2.746 0.094 -12.453 1.00 10.00 C ATOM 1460 C GLU A 92 -2.508 -1.411 -12.607 1.00 10.00 C ATOM 1461 O GLU A 92 -3.190 -2.237 -11.993 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.409 0.760 -13.661 1.00 10.00 C ATOM 1463 CG GLU A 92 -4.886 0.427 -13.805 1.00 10.00 C ATOM 1464 CD GLU A 92 -5.617 1.553 -14.526 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -5.555 2.691 -14.002 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.183 1.262 -15.601 1.00 10.00 O ATOM 0 H GLU A 92 -1.127 1.212 -13.116 1.00 10.00 H new ATOM 0 HA GLU A 92 -3.416 0.182 -11.598 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.295 1.841 -13.577 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -2.886 0.454 -14.567 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -5.003 -0.504 -14.359 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.327 0.270 -12.821 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.485 -1.762 -13.386 1.00 10.00 N ATOM 1474 CA ASP A 93 -0.916 -3.099 -13.437 1.00 10.00 C ATOM 1475 C ASP A 93 -0.634 -3.554 -11.997 1.00 10.00 C ATOM 1476 O ASP A 93 -1.037 -4.636 -11.579 1.00 10.00 O ATOM 1477 CB ASP A 93 0.372 -3.092 -14.281 1.00 10.00 C ATOM 1478 CG ASP A 93 0.185 -2.683 -15.739 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -0.911 -2.953 -16.279 1.00 10.00 O ATOM 1480 OD2 ASP A 93 1.154 -2.123 -16.296 1.00 10.00 O ATOM 0 H ASP A 93 -1.021 -1.105 -14.013 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.612 -3.794 -13.907 1.00 10.00 H new ATOM 0 HB2 ASP A 93 1.088 -2.413 -13.818 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.813 -4.089 -14.252 1.00 10.00 H new ATOM 1485 N LEU A 94 0.009 -2.691 -11.205 1.00 10.00 N ATOM 1486 CA LEU A 94 0.256 -2.922 -9.784 1.00 10.00 C ATOM 1487 C LEU A 94 -1.012 -3.393 -9.058 1.00 10.00 C ATOM 1488 O LEU A 94 -1.016 -4.474 -8.462 1.00 10.00 O ATOM 1489 CB LEU A 94 0.849 -1.656 -9.140 1.00 10.00 C ATOM 1490 CG LEU A 94 2.161 -1.924 -8.408 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.852 -0.594 -8.100 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.885 -2.672 -7.111 1.00 10.00 C ATOM 0 H LEU A 94 0.377 -1.801 -11.540 1.00 10.00 H new ATOM 0 HA LEU A 94 0.984 -3.727 -9.687 1.00 10.00 H new ATOM 0 HB2 LEU A 94 1.016 -0.905 -9.912 1.00 10.00 H new ATOM 0 HB3 LEU A 94 0.126 -1.238 -8.439 1.00 10.00 H new ATOM 0 HG LEU A 94 2.809 -2.533 -9.039 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.789 -0.784 -7.577 1.00 10.00 H new ATOM 0 HD12 LEU A 94 3.056 -0.066 -9.031 1.00 10.00 H new ATOM 0 HD13 LEU A 94 2.203 0.016 -7.472 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.825 -2.861 -6.593 1.00 10.00 H new ATOM 0 HD22 LEU A 94 1.235 -2.071 -6.476 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.397 -3.621 -7.335 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.096 -2.605 -9.129 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.388 -3.006 -8.574 1.00 10.00 C ATOM 1506 C ILE A 95 -3.784 -4.399 -9.055 1.00 10.00 C ATOM 1507 O ILE A 95 -4.284 -5.201 -8.268 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.493 -1.969 -8.873 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.542 -0.914 -7.770 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.898 -2.587 -8.976 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.507 0.178 -7.961 1.00 10.00 C ATOM 0 H ILE A 95 -2.098 -1.684 -9.568 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.277 -3.046 -7.490 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.232 -1.535 -9.838 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.536 -0.467 -7.744 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.383 -1.395 -6.805 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.626 -1.803 -9.187 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.914 -3.323 -9.780 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.152 -3.073 -8.034 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.587 0.901 -7.149 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.510 -0.262 -7.959 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.680 0.681 -8.912 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.602 -4.676 -10.346 1.00 10.00 N ATOM 1524 CA ALA A 96 -3.953 -5.971 -10.913 1.00 10.00 C ATOM 1525 C ALA A 96 -3.332 -7.122 -10.131 1.00 10.00 C ATOM 1526 O ALA A 96 -4.039 -8.058 -9.761 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.568 -6.057 -12.380 1.00 10.00 C ATOM 0 H ALA A 96 -3.212 -4.016 -11.018 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.036 -6.064 -10.837 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -3.844 -7.036 -12.772 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.091 -5.282 -12.940 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.492 -5.915 -12.483 1.00 10.00 H new ATOM 1533 N TYR A 97 -2.023 -7.057 -9.873 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.386 -8.078 -9.055 1.00 10.00 C ATOM 1535 C TYR A 97 -1.981 -8.058 -7.660 1.00 10.00 C ATOM 1536 O TYR A 97 -2.512 -9.073 -7.212 1.00 10.00 O ATOM 1537 CB TYR A 97 0.127 -7.891 -8.994 1.00 10.00 C ATOM 1538 CG TYR A 97 0.835 -8.853 -8.046 1.00 10.00 C ATOM 1539 CD1 TYR A 97 0.779 -10.242 -8.273 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.527 -8.368 -6.918 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.411 -11.136 -7.387 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.201 -9.261 -6.064 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.125 -10.648 -6.278 1.00 10.00 C ATOM 1544 OH TYR A 97 2.929 -11.487 -5.564 1.00 10.00 O ATOM 0 H TYR A 97 -1.400 -6.324 -10.212 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.573 -9.048 -9.516 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.539 -8.016 -9.996 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.344 -6.868 -8.686 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.248 -10.624 -9.132 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.540 -7.309 -6.708 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.347 -12.200 -7.560 1.00 10.00 H new ATOM 0 HE2 TYR A 97 2.781 -8.877 -5.238 1.00 10.00 H new ATOM 0 HH TYR A 97 2.440 -11.825 -4.785 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.885 -6.903 -6.993 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.386 -6.729 -5.629 1.00 10.00 C ATOM 1556 C LEU A 98 -3.736 -7.419 -5.428 1.00 10.00 C ATOM 1557 O LEU A 98 -3.874 -8.180 -4.474 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.465 -5.258 -5.213 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.224 -4.795 -4.430 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -0.244 -4.071 -5.338 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.668 -3.908 -3.272 1.00 10.00 C ATOM 0 H LEU A 98 -1.458 -6.064 -7.385 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.657 -7.211 -4.978 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -2.580 -4.639 -6.103 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.354 -5.105 -4.601 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.703 -5.666 -4.031 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.623 -3.755 -4.759 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.077 -4.742 -6.135 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.728 -3.197 -5.772 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -0.794 -3.576 -2.712 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.201 -3.040 -3.662 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.328 -4.473 -2.613 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.709 -7.181 -6.315 1.00 10.00 N ATOM 1574 CA LYS A 99 -6.014 -7.841 -6.262 1.00 10.00 C ATOM 1575 C LYS A 99 -5.932 -9.336 -5.938 1.00 10.00 C ATOM 1576 O LYS A 99 -6.610 -9.786 -5.018 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.815 -7.615 -7.551 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.636 -6.316 -7.501 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.629 -6.243 -8.671 1.00 10.00 C ATOM 1580 CE LYS A 99 -7.918 -5.855 -9.973 1.00 10.00 C ATOM 1581 NZ LYS A 99 -8.736 -6.120 -11.172 1.00 10.00 N ATOM 0 H LYS A 99 -4.611 -6.524 -7.090 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.542 -7.370 -5.433 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -6.132 -7.580 -8.400 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.484 -8.460 -7.715 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -8.177 -6.261 -6.557 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.966 -5.457 -7.535 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -9.122 -7.207 -8.795 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -9.408 -5.514 -8.447 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -7.662 -4.796 -9.940 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -6.981 -6.407 -10.049 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -8.207 -5.839 -12.022 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -8.959 -7.134 -11.223 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -9.619 -5.573 -11.118 1.00 10.00 H new ATOM 1595 N LYS A 100 -5.142 -10.117 -6.678 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.980 -11.520 -6.365 1.00 10.00 C ATOM 1597 C LYS A 100 -4.070 -11.641 -5.140 1.00 10.00 C ATOM 1598 O LYS A 100 -4.357 -12.409 -4.224 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.405 -12.239 -7.594 1.00 10.00 C ATOM 1600 CG LYS A 100 -4.112 -13.712 -7.280 1.00 10.00 C ATOM 1601 CD LYS A 100 -5.053 -14.728 -7.944 1.00 10.00 C ATOM 1602 CE LYS A 100 -4.401 -15.360 -9.182 1.00 10.00 C ATOM 1603 NZ LYS A 100 -5.214 -16.468 -9.725 1.00 10.00 N ATOM 0 H LYS A 100 -4.613 -9.796 -7.489 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.933 -11.990 -6.124 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -5.111 -12.173 -8.422 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.489 -11.743 -7.915 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -3.090 -13.935 -7.587 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -4.158 -13.852 -6.200 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -5.314 -15.508 -7.229 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -5.982 -14.235 -8.230 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -4.265 -14.599 -9.950 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -3.410 -15.730 -8.922 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -4.741 -16.869 -10.560 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -5.323 -17.206 -9.001 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -6.152 -16.110 -9.997 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.948 -10.923 -5.152 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.844 -11.196 -4.256 1.00 10.00 C ATOM 1619 C ALA A 101 -2.320 -11.071 -2.818 1.00 10.00 C ATOM 1620 O ALA A 101 -2.256 -12.012 -2.046 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.702 -10.232 -4.566 1.00 10.00 C ATOM 0 H ALA A 101 -2.787 -10.139 -5.784 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.475 -12.212 -4.396 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.134 -10.431 -3.895 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -0.380 -10.369 -5.598 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -1.043 -9.206 -4.426 1.00 10.00 H new ATOM 1627 N THR A 102 -2.884 -9.912 -2.495 1.00 10.00 N ATOM 1628 CA THR A 102 -3.331 -9.600 -1.152 1.00 10.00 C ATOM 1629 C THR A 102 -4.487 -10.493 -0.706 1.00 10.00 C ATOM 1630 O THR A 102 -4.689 -10.686 0.490 1.00 10.00 O ATOM 1631 CB THR A 102 -3.734 -8.130 -1.104 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.828 -7.843 -1.953 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.546 -7.238 -1.457 1.00 10.00 C ATOM 0 H THR A 102 -3.043 -9.161 -3.166 1.00 10.00 H new ATOM 0 HA THR A 102 -2.511 -9.789 -0.459 1.00 10.00 H new ATOM 0 HB THR A 102 -4.052 -7.921 -0.083 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.544 -7.913 -2.888 1.00 10.00 H new ATOM 0 HG21 THR A 102 -2.852 -6.192 -1.418 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.739 -7.407 -0.744 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.198 -7.477 -2.462 1.00 10.00 H new ATOM 1641 N ASN A 103 -5.276 -10.982 -1.667 1.00 10.00 N ATOM 1642 CA ASN A 103 -6.392 -11.875 -1.412 1.00 10.00 C ATOM 1643 C ASN A 103 -5.865 -13.218 -0.898 1.00 10.00 C ATOM 1644 O ASN A 103 -6.374 -13.720 0.103 1.00 10.00 O ATOM 1645 CB ASN A 103 -7.232 -11.985 -2.693 1.00 10.00 C ATOM 1646 CG ASN A 103 -8.515 -12.797 -2.549 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -8.566 -13.823 -1.885 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.584 -12.347 -3.202 1.00 10.00 N ATOM 0 H ASN A 103 -5.149 -10.761 -2.655 1.00 10.00 H new ATOM 0 HA ASN A 103 -7.047 -11.489 -0.631 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -7.490 -10.981 -3.029 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.620 -12.435 -3.475 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -10.464 -12.860 -3.154 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -9.523 -11.489 -3.751 1.00 10.00 H new ATOM 1655 N GLU A 104 -4.838 -13.766 -1.560 1.00 10.00 N ATOM 1656 CA GLU A 104 -4.195 -15.014 -1.161 1.00 10.00 C ATOM 1657 C GLU A 104 -2.728 -14.770 -0.781 1.00 10.00 C ATOM 1658 O GLU A 104 -2.508 -13.964 0.150 1.00 10.00 O ATOM 1659 CB GLU A 104 -4.352 -16.057 -2.279 1.00 10.00 C ATOM 1660 CG GLU A 104 -5.817 -16.484 -2.468 1.00 10.00 C ATOM 1661 CD GLU A 104 -5.950 -17.594 -3.506 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -5.290 -18.638 -3.314 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -6.699 -17.380 -4.485 1.00 10.00 O ATOM 1664 OXT GLU A 104 -1.851 -15.431 -1.377 1.00 10.00 O ATOM 0 H GLU A 104 -4.430 -13.347 -2.396 1.00 10.00 H new ATOM 0 HA GLU A 104 -4.683 -15.411 -0.271 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -3.971 -15.646 -3.214 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -3.747 -16.933 -2.045 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -6.223 -16.825 -1.516 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -6.410 -15.623 -2.777 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 3.775 4.936 0.376 1.00 10.00 N HETATM 1673 C2 IMD A 105 4.027 3.626 0.188 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.294 2.870 1.021 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.525 3.770 1.757 1.00 10.00 C HETATM 1676 C5 IMD A 105 2.828 5.044 1.371 1.00 10.00 C HETATM 0 HN1 IMD A 105 4.208 5.710 -0.128 1.00 10.00 H new HETATM 0 H5 IMD A 105 2.404 5.965 1.771 1.00 10.00 H new HETATM 0 H4 IMD A 105 1.796 3.499 2.521 1.00 10.00 H new HETATM 0 H2 IMD A 105 4.733 3.232 -0.543 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.288 0.916 1.223 1.00 10.00 FE HETATM 1682 CHA HEC A 110 0.796 1.300 3.549 1.00 10.00 C HETATM 1683 CHB HEC A 110 0.977 0.213 -1.155 1.00 10.00 C HETATM 1684 CHC HEC A 110 5.778 0.820 -1.127 1.00 10.00 C HETATM 1685 CHD HEC A 110 5.622 1.067 3.719 1.00 10.00 C HETATM 1686 NA HEC A 110 1.295 0.803 1.200 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.472 1.015 2.262 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.889 0.869 1.828 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.850 0.586 0.485 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.545 0.509 0.113 1.00 10.00 C HETATM 1691 CMA HEC A 110 -2.021 0.525 -0.467 1.00 10.00 C HETATM 1692 CAA HEC A 110 -2.105 1.060 2.703 1.00 10.00 C HETATM 1693 CBA HEC A 110 -2.309 0.013 3.811 1.00 10.00 C HETATM 1694 CGA HEC A 110 -2.887 0.598 5.113 1.00 10.00 C HETATM 1695 O1A HEC A 110 -4.135 0.637 5.237 1.00 10.00 O HETATM 1696 O2A HEC A 110 -2.068 1.008 5.968 1.00 10.00 O HETATM 1697 NB HEC A 110 3.365 0.607 -0.747 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.299 0.275 -1.511 1.00 10.00 C HETATM 1699 C2B HEC A 110 2.775 -0.080 -2.824 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.118 0.213 -2.863 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.487 0.591 -1.518 1.00 10.00 C HETATM 1702 CMB HEC A 110 1.965 -0.797 -3.880 1.00 10.00 C HETATM 1703 CAB HEC A 110 5.040 0.071 -4.063 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.484 0.770 -5.315 1.00 10.00 C HETATM 1705 NC HEC A 110 5.310 0.987 1.273 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.132 0.946 0.189 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.500 1.035 0.638 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.459 1.024 2.016 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.059 1.024 2.403 1.00 10.00 C HETATM 1710 CMC HEC A 110 8.741 1.078 -0.240 1.00 10.00 C HETATM 1711 CAC HEC A 110 8.639 0.914 2.966 1.00 10.00 C HETATM 1712 CBC HEC A 110 9.987 1.486 2.510 1.00 10.00 C HETATM 1713 ND HEC A 110 3.219 1.184 3.251 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.290 1.211 4.069 1.00 10.00 C HETATM 1715 C2D HEC A 110 3.806 1.424 5.424 1.00 10.00 C HETATM 1716 C3D HEC A 110 2.444 1.603 5.348 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.080 1.358 3.979 1.00 10.00 C HETATM 1718 CMD HEC A 110 4.607 1.472 6.706 1.00 10.00 C HETATM 1719 CAD HEC A 110 1.494 1.918 6.492 1.00 10.00 C HETATM 1720 CBD HEC A 110 1.130 3.408 6.660 1.00 10.00 C HETATM 1721 CGD HEC A 110 0.185 4.003 5.595 1.00 10.00 C HETATM 1722 O1D HEC A 110 0.632 4.201 4.442 1.00 10.00 O HETATM 1723 O2D HEC A 110 -0.972 4.359 5.926 1.00 10.00 O HETATM 0 HMD3 HEC A 110 5.124 0.523 6.848 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 5.338 2.278 6.648 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 3.937 1.649 7.547 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 8.792 0.172 -0.843 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 8.693 1.948 -0.895 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 9.629 1.146 0.388 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.651 -1.769 -3.500 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.085 -0.204 -4.129 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.574 -0.936 -4.774 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.723 -0.238 -0.132 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.521 1.493 -0.491 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.665 0.276 -1.467 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 0.669 3.540 7.639 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 2.053 3.988 6.662 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.308 0.979 1.600 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 9.882 2.553 2.313 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 10.730 1.333 3.292 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.520 0.334 -5.578 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.357 1.833 -5.112 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.180 0.639 -6.144 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -2.977 -0.766 3.444 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -1.353 -0.464 4.029 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 0.575 1.351 6.345 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 1.941 1.564 7.421 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -2.043 2.044 3.167 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -2.990 1.063 2.066 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.362 0.984 4.515 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.552 0.905 -1.890 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.243 -0.082 -1.905 1.00 10.00 H new HETATM 0 HHA HEC A 110 -0.006 1.489 4.263 1.00 10.00 H new HETATM 0 H2D HEC A 110 -0.916 5.053 6.615 1.00 10.00 H new HETATM 0 H2A HEC A 110 -2.465 1.748 6.473 1.00 10.00 H new