USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 885 hydrogens (51 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 52 ASN : amide:sc= -4.42! C(o=-3.5!,f=-2.1!) USER MOD Set 1.2: A 67 TYR OH : rot -151:sc= 1.02 USER MOD Set 1.3: A 78 THR OG1 : rot 180:sc= -0.057 USER MOD Set 2.1: A 48 TYR OH : rot 50:sc= -1.21 USER MOD Set 2.2: A 104 HEC O2A : rot -97:sc= -5.38! USER MOD Set 3.1: A 46 TYR OH : rot 130:sc= -0.0338 USER MOD Set 3.2: A 104 HEC O2D : rot 170:sc= -0.0375 USER MOD Set 4.1: A 39 HIS : no HD1:sc= -12.9! C(o=-17!,f=-17!) USER MOD Set 4.2: A 56 ASN : amide:sc= -3.95! C(o=-17!,f=-21!) USER MOD Set 5.1: A 19 THR OG1 : rot 14:sc= 0.0426 USER MOD Set 5.2: A 31 ASN : amide:sc= -2.65! X(o=-2.6!,f=-2.9) USER MOD Set 6.1: A -5 THR N :NH3+ -171:sc= 0.056! (180deg=-1.03) USER MOD Set 6.2: A 62 ASN : amide:sc= -5.23! C(o=-5.2!,f=-16!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.00751 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -2.49! K(o=-2.5!,f=-0.73) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -2.43 X(o=-2.4,f=-2.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -6.03! C(o=-6!,f=-16!) USER MOD Single : A 40 SER OG : rot -12:sc= 0.454 USER MOD Single : A 42 GLN : amide:sc= -10.4! C(o=-10!,f=-18!) USER MOD Single : A 47 SER OG : rot 48:sc= 1.16 USER MOD Single : A 49 THR OG1 : rot 176:sc= 0.303 USER MOD Single : A 54 LYS NZ :NH3+ 153:sc= 0.0379 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 154:sc= -0.0305 (180deg=-0.803) USER MOD Single : A 63 ASN : amide:sc= -5.25! C(o=-5.3!,f=-12!) USER MOD Single : A 64 MET CE :methyl -130:sc= -6.05! (180deg=-13.7!) USER MOD Single : A 65 SER OG : rot 180:sc= -0.224 USER MOD Single : A 69 THR OG1 : rot -52:sc= 0.35 USER MOD Single : A 70 ASN : amide:sc= -0.0687 X(o=-0.069,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 157:sc= -0.0253 (180deg=-0.353) USER MOD Single : A 80 MET CE :methyl 169:sc= -1.5 (180deg=-2.03) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.181 K(o=-0.18,f=-2.4!) USER MOD Single : A 96 THR OG1 : rot 62:sc= 0.0633 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 168:sc= 0.217 (180deg=0.0344) USER MOD Single : A 100 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.029) USER MOD Single : A 102 SER OG : rot -75:sc=-0.00975 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 8.686 -12.709 -7.258 1.00 0.00 N ATOM 2 CA THR A -5 7.658 -12.516 -8.266 1.00 0.00 C ATOM 3 C THR A -5 6.813 -13.783 -8.416 1.00 0.00 C ATOM 4 O THR A -5 7.289 -14.886 -8.150 1.00 0.00 O ATOM 5 CB THR A -5 8.343 -12.086 -9.564 1.00 0.00 C ATOM 6 OG1 THR A -5 9.263 -13.139 -9.837 1.00 0.00 O ATOM 7 CG2 THR A -5 9.233 -10.855 -9.376 1.00 0.00 C ATOM 0 H1 THR A -5 9.151 -11.800 -7.058 1.00 0.00 H new ATOM 0 H2 THR A -5 8.253 -13.076 -6.386 1.00 0.00 H new ATOM 0 H3 THR A -5 9.391 -13.389 -7.607 1.00 0.00 H new ATOM 0 HA THR A -5 6.961 -11.731 -7.974 1.00 0.00 H new ATOM 0 HB THR A -5 7.587 -11.876 -10.321 1.00 0.00 H new ATOM 0 HG1 THR A -5 9.750 -12.942 -10.665 1.00 0.00 H new ATOM 0 HG21 THR A -5 9.695 -10.592 -10.327 1.00 0.00 H new ATOM 0 HG22 THR A -5 8.629 -10.020 -9.023 1.00 0.00 H new ATOM 0 HG23 THR A -5 10.010 -11.076 -8.644 1.00 0.00 H new ATOM 15 N GLU A -4 5.575 -13.583 -8.842 1.00 0.00 N ATOM 16 CA GLU A -4 4.660 -14.696 -9.031 1.00 0.00 C ATOM 17 C GLU A -4 4.757 -15.669 -7.853 1.00 0.00 C ATOM 18 O GLU A -4 5.114 -16.832 -8.032 1.00 0.00 O ATOM 19 CB GLU A -4 4.931 -15.411 -10.356 1.00 0.00 C ATOM 20 CG GLU A -4 6.389 -15.869 -10.443 1.00 0.00 C ATOM 21 CD GLU A -4 6.623 -16.718 -11.694 1.00 0.00 C ATOM 22 OE1 GLU A -4 5.955 -16.427 -12.710 1.00 0.00 O ATOM 23 OE2 GLU A -4 7.464 -17.638 -11.607 1.00 0.00 O ATOM 0 H GLU A -4 5.184 -12.667 -9.062 1.00 0.00 H new ATOM 0 HA GLU A -4 3.644 -14.303 -9.070 1.00 0.00 H new ATOM 0 HB2 GLU A -4 4.269 -16.272 -10.451 1.00 0.00 H new ATOM 0 HB3 GLU A -4 4.706 -14.743 -11.187 1.00 0.00 H new ATOM 0 HG2 GLU A -4 7.047 -15.000 -10.461 1.00 0.00 H new ATOM 0 HG3 GLU A -4 6.647 -16.445 -9.554 1.00 0.00 H new ATOM 30 N PHE A -3 4.432 -15.156 -6.676 1.00 0.00 N ATOM 31 CA PHE A -3 4.478 -15.965 -5.469 1.00 0.00 C ATOM 32 C PHE A -3 3.704 -17.271 -5.655 1.00 0.00 C ATOM 33 O PHE A -3 3.238 -17.570 -6.754 1.00 0.00 O ATOM 34 CB PHE A -3 3.816 -15.148 -4.358 1.00 0.00 C ATOM 35 CG PHE A -3 2.329 -14.874 -4.588 1.00 0.00 C ATOM 36 CD1 PHE A -3 1.762 -15.164 -5.789 1.00 0.00 C ATOM 37 CD2 PHE A -3 1.574 -14.340 -3.591 1.00 0.00 C ATOM 38 CE1 PHE A -3 0.381 -14.910 -6.003 1.00 0.00 C ATOM 39 CE2 PHE A -3 0.193 -14.086 -3.804 1.00 0.00 C ATOM 40 CZ PHE A -3 -0.374 -14.376 -5.006 1.00 0.00 C ATOM 0 H PHE A -3 4.136 -14.191 -6.532 1.00 0.00 H new ATOM 0 HA PHE A -3 5.511 -16.217 -5.229 1.00 0.00 H new ATOM 0 HB2 PHE A -3 3.935 -15.677 -3.412 1.00 0.00 H new ATOM 0 HB3 PHE A -3 4.339 -14.197 -4.260 1.00 0.00 H new ATOM 0 HD1 PHE A -3 2.362 -15.588 -6.581 1.00 0.00 H new ATOM 0 HD2 PHE A -3 2.025 -14.109 -2.637 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -0.069 -15.141 -6.957 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -0.407 -13.663 -3.012 1.00 0.00 H new ATOM 0 HZ PHE A -3 -1.424 -14.182 -5.169 1.00 0.00 H new ATOM 50 N LYS A -2 3.591 -18.015 -4.565 1.00 0.00 N ATOM 51 CA LYS A -2 2.882 -19.283 -4.594 1.00 0.00 C ATOM 52 C LYS A -2 1.446 -19.071 -4.110 1.00 0.00 C ATOM 53 O LYS A -2 0.779 -20.018 -3.697 1.00 0.00 O ATOM 54 CB LYS A -2 3.648 -20.344 -3.801 1.00 0.00 C ATOM 55 CG LYS A -2 4.165 -21.450 -4.722 1.00 0.00 C ATOM 56 CD LYS A -2 4.155 -22.805 -4.012 1.00 0.00 C ATOM 57 CE LYS A -2 3.372 -23.842 -4.820 1.00 0.00 C ATOM 58 NZ LYS A -2 3.989 -25.180 -4.681 1.00 0.00 N ATOM 0 H LYS A -2 3.979 -17.764 -3.656 1.00 0.00 H new ATOM 0 HA LYS A -2 2.822 -19.662 -5.614 1.00 0.00 H new ATOM 0 HB2 LYS A -2 4.485 -19.879 -3.279 1.00 0.00 H new ATOM 0 HB3 LYS A -2 2.997 -20.774 -3.040 1.00 0.00 H new ATOM 0 HG2 LYS A -2 3.546 -21.501 -5.618 1.00 0.00 H new ATOM 0 HG3 LYS A -2 5.178 -21.213 -5.047 1.00 0.00 H new ATOM 0 HD2 LYS A -2 5.178 -23.150 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A -2 3.710 -22.698 -3.023 1.00 0.00 H new ATOM 0 HE2 LYS A -2 2.338 -23.874 -4.477 1.00 0.00 H new ATOM 0 HE3 LYS A -2 3.350 -23.552 -5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 3.446 -25.872 -5.235 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 4.968 -25.149 -5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 3.987 -25.461 -3.680 1.00 0.00 H new ATOM 72 N ALA A -1 1.012 -17.820 -4.175 1.00 0.00 N ATOM 73 CA ALA A -1 -0.332 -17.471 -3.749 1.00 0.00 C ATOM 74 C ALA A -1 -0.515 -17.863 -2.281 1.00 0.00 C ATOM 75 O ALA A -1 0.207 -18.717 -1.769 1.00 0.00 O ATOM 76 CB ALA A -1 -1.351 -18.151 -4.665 1.00 0.00 C ATOM 0 H ALA A -1 1.568 -17.036 -4.516 1.00 0.00 H new ATOM 0 HA ALA A -1 -0.492 -16.395 -3.826 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -2.360 -17.889 -4.345 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -1.198 -17.817 -5.691 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -1.223 -19.232 -4.612 1.00 0.00 H new ATOM 82 N GLY A 1 -1.484 -17.220 -1.646 1.00 0.00 N ATOM 83 CA GLY A 1 -1.770 -17.491 -0.248 1.00 0.00 C ATOM 84 C GLY A 1 -3.171 -18.084 -0.080 1.00 0.00 C ATOM 85 O GLY A 1 -3.397 -18.911 0.802 1.00 0.00 O ATOM 0 H GLY A 1 -2.081 -16.512 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.028 -18.183 0.151 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.690 -16.570 0.329 1.00 0.00 H new ATOM 89 N SER A 2 -4.074 -17.638 -0.940 1.00 0.00 N ATOM 90 CA SER A 2 -5.447 -18.113 -0.898 1.00 0.00 C ATOM 91 C SER A 2 -6.253 -17.298 0.115 1.00 0.00 C ATOM 92 O SER A 2 -5.683 -16.559 0.916 1.00 0.00 O ATOM 93 CB SER A 2 -5.503 -19.601 -0.546 1.00 0.00 C ATOM 94 OG SER A 2 -6.547 -20.276 -1.243 1.00 0.00 O ATOM 0 H SER A 2 -3.882 -16.952 -1.671 1.00 0.00 H new ATOM 0 HA SER A 2 -5.884 -17.984 -1.888 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.547 -20.066 -0.786 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.652 -19.714 0.528 1.00 0.00 H new ATOM 0 HG SER A 2 -6.548 -21.223 -0.992 1.00 0.00 H new ATOM 100 N ALA A 3 -7.566 -17.459 0.045 1.00 0.00 N ATOM 101 CA ALA A 3 -8.456 -16.746 0.946 1.00 0.00 C ATOM 102 C ALA A 3 -8.343 -17.347 2.349 1.00 0.00 C ATOM 103 O ALA A 3 -9.307 -17.908 2.867 1.00 0.00 O ATOM 104 CB ALA A 3 -9.885 -16.802 0.401 1.00 0.00 C ATOM 0 H ALA A 3 -8.035 -18.072 -0.621 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.173 -15.695 1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -10.553 -16.267 1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.917 -16.337 -0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.204 -17.841 0.322 1.00 0.00 H new ATOM 110 N LYS A 4 -7.157 -17.209 2.923 1.00 0.00 N ATOM 111 CA LYS A 4 -6.905 -17.731 4.255 1.00 0.00 C ATOM 112 C LYS A 4 -6.350 -16.613 5.140 1.00 0.00 C ATOM 113 O LYS A 4 -5.292 -16.056 4.850 1.00 0.00 O ATOM 114 CB LYS A 4 -6.004 -18.965 4.186 1.00 0.00 C ATOM 115 CG LYS A 4 -6.482 -20.048 5.156 1.00 0.00 C ATOM 116 CD LYS A 4 -5.385 -20.405 6.162 1.00 0.00 C ATOM 117 CE LYS A 4 -5.974 -21.102 7.390 1.00 0.00 C ATOM 118 NZ LYS A 4 -5.052 -22.151 7.881 1.00 0.00 N ATOM 0 H LYS A 4 -6.360 -16.743 2.490 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.834 -18.069 4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.998 -19.359 3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.978 -18.685 4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.368 -19.701 5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.773 -20.938 4.598 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.649 -21.055 5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.860 -19.501 6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.156 -20.371 8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.937 -21.545 7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.466 -22.615 8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.899 -22.857 7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.142 -21.720 8.141 1.00 0.00 H new ATOM 132 N LYS A 5 -7.088 -16.318 6.200 1.00 0.00 N ATOM 133 CA LYS A 5 -6.682 -15.277 7.128 1.00 0.00 C ATOM 134 C LYS A 5 -6.063 -14.116 6.347 1.00 0.00 C ATOM 135 O LYS A 5 -5.083 -13.518 6.788 1.00 0.00 O ATOM 136 CB LYS A 5 -5.762 -15.850 8.208 1.00 0.00 C ATOM 137 CG LYS A 5 -4.296 -15.777 7.776 1.00 0.00 C ATOM 138 CD LYS A 5 -3.556 -17.069 8.125 1.00 0.00 C ATOM 139 CE LYS A 5 -2.661 -16.874 9.350 1.00 0.00 C ATOM 140 NZ LYS A 5 -1.233 -16.929 8.964 1.00 0.00 N ATOM 0 H LYS A 5 -7.965 -16.782 6.437 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.549 -14.880 7.657 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.899 -15.297 9.138 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.034 -16.886 8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.238 -15.600 6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.811 -14.932 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.276 -17.864 8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.952 -17.387 7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.880 -15.915 9.819 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.874 -17.646 10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.640 -16.795 9.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.024 -17.854 8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.030 -16.177 8.275 1.00 0.00 H new ATOM 154 N GLY A 6 -6.662 -13.831 5.200 1.00 0.00 N ATOM 155 CA GLY A 6 -6.182 -12.752 4.353 1.00 0.00 C ATOM 156 C GLY A 6 -7.060 -11.508 4.500 1.00 0.00 C ATOM 157 O GLY A 6 -6.565 -10.428 4.821 1.00 0.00 O ATOM 0 H GLY A 6 -7.475 -14.328 4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.153 -12.508 4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -6.176 -13.077 3.312 1.00 0.00 H new ATOM 161 N ALA A 7 -8.349 -11.700 4.258 1.00 0.00 N ATOM 162 CA ALA A 7 -9.301 -10.607 4.359 1.00 0.00 C ATOM 163 C ALA A 7 -9.207 -9.983 5.753 1.00 0.00 C ATOM 164 O ALA A 7 -8.992 -8.779 5.885 1.00 0.00 O ATOM 165 CB ALA A 7 -10.706 -11.122 4.044 1.00 0.00 C ATOM 0 H ALA A 7 -8.756 -12.597 3.992 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.070 -9.828 3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.420 -10.302 4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.726 -11.528 3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.975 -11.904 4.755 1.00 0.00 H new ATOM 171 N THR A 8 -9.375 -10.830 6.758 1.00 0.00 N ATOM 172 CA THR A 8 -9.312 -10.376 8.137 1.00 0.00 C ATOM 173 C THR A 8 -8.020 -9.595 8.383 1.00 0.00 C ATOM 174 O THR A 8 -7.931 -8.820 9.334 1.00 0.00 O ATOM 175 CB THR A 8 -9.465 -11.599 9.044 1.00 0.00 C ATOM 176 OG1 THR A 8 -10.763 -11.448 9.614 1.00 0.00 O ATOM 177 CG2 THR A 8 -8.522 -11.556 10.248 1.00 0.00 C ATOM 0 H THR A 8 -9.555 -11.828 6.645 1.00 0.00 H new ATOM 0 HA THR A 8 -10.122 -9.682 8.363 1.00 0.00 H new ATOM 0 HB THR A 8 -9.277 -12.505 8.467 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.946 -12.200 10.215 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.671 -12.446 10.859 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.489 -11.523 9.900 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.733 -10.668 10.844 1.00 0.00 H new ATOM 185 N LEU A 9 -7.051 -9.826 7.510 1.00 0.00 N ATOM 186 CA LEU A 9 -5.768 -9.153 7.621 1.00 0.00 C ATOM 187 C LEU A 9 -5.954 -7.660 7.344 1.00 0.00 C ATOM 188 O LEU A 9 -5.971 -6.851 8.271 1.00 0.00 O ATOM 189 CB LEU A 9 -4.732 -9.822 6.714 1.00 0.00 C ATOM 190 CG LEU A 9 -3.305 -9.889 7.262 1.00 0.00 C ATOM 191 CD1 LEU A 9 -2.696 -11.274 7.036 1.00 0.00 C ATOM 192 CD2 LEU A 9 -2.437 -8.777 6.669 1.00 0.00 C ATOM 0 H LEU A 9 -7.128 -10.470 6.723 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.377 -9.243 8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.066 -10.837 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.711 -9.288 5.764 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.344 -9.726 8.339 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.682 -11.295 7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.301 -12.025 7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.671 -11.490 5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.428 -8.847 7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.400 -8.883 5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.864 -7.807 6.924 1.00 0.00 H new ATOM 204 N PHE A 10 -6.089 -7.340 6.065 1.00 0.00 N ATOM 205 CA PHE A 10 -6.273 -5.958 5.655 1.00 0.00 C ATOM 206 C PHE A 10 -7.240 -5.232 6.593 1.00 0.00 C ATOM 207 O PHE A 10 -6.970 -4.112 7.023 1.00 0.00 O ATOM 208 CB PHE A 10 -6.870 -5.985 4.247 1.00 0.00 C ATOM 209 CG PHE A 10 -6.999 -4.605 3.599 1.00 0.00 C ATOM 210 CD1 PHE A 10 -5.882 -3.893 3.288 1.00 0.00 C ATOM 211 CD2 PHE A 10 -8.229 -4.091 3.333 1.00 0.00 C ATOM 212 CE1 PHE A 10 -6.001 -2.613 2.687 1.00 0.00 C ATOM 213 CE2 PHE A 10 -8.348 -2.810 2.731 1.00 0.00 C ATOM 214 CZ PHE A 10 -7.232 -2.098 2.421 1.00 0.00 C ATOM 0 H PHE A 10 -6.075 -8.014 5.299 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.319 -5.431 5.682 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.249 -6.616 3.612 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.856 -6.448 4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.905 -4.302 3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.116 -4.657 3.579 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.114 -2.048 2.441 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.325 -2.402 2.519 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.323 -1.124 1.964 1.00 0.00 H new ATOM 224 N LYS A 11 -8.347 -5.900 6.882 1.00 0.00 N ATOM 225 CA LYS A 11 -9.355 -5.333 7.761 1.00 0.00 C ATOM 226 C LYS A 11 -8.672 -4.713 8.982 1.00 0.00 C ATOM 227 O LYS A 11 -9.189 -3.766 9.573 1.00 0.00 O ATOM 228 CB LYS A 11 -10.410 -6.383 8.114 1.00 0.00 C ATOM 229 CG LYS A 11 -11.414 -5.833 9.130 1.00 0.00 C ATOM 230 CD LYS A 11 -12.618 -5.204 8.426 1.00 0.00 C ATOM 231 CE LYS A 11 -13.889 -6.014 8.686 1.00 0.00 C ATOM 232 NZ LYS A 11 -13.903 -7.238 7.854 1.00 0.00 N ATOM 0 H LYS A 11 -8.568 -6.829 6.523 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.893 -4.531 7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.935 -6.694 7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.924 -7.269 8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.750 -6.636 9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.928 -5.089 9.761 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.756 -4.181 8.777 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.430 -5.150 7.354 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.946 -6.283 9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.766 -5.406 8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.773 -7.776 8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.870 -6.975 6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.076 -7.824 8.085 1.00 0.00 H new ATOM 246 N THR A 12 -7.520 -5.273 9.323 1.00 0.00 N ATOM 247 CA THR A 12 -6.761 -4.787 10.462 1.00 0.00 C ATOM 248 C THR A 12 -5.304 -4.541 10.066 1.00 0.00 C ATOM 249 O THR A 12 -4.648 -5.425 9.517 1.00 0.00 O ATOM 250 CB THR A 12 -6.919 -5.796 11.601 1.00 0.00 C ATOM 251 OG1 THR A 12 -7.731 -5.118 12.556 1.00 0.00 O ATOM 252 CG2 THR A 12 -5.605 -6.052 12.343 1.00 0.00 C ATOM 0 H THR A 12 -7.095 -6.058 8.830 1.00 0.00 H new ATOM 0 HA THR A 12 -7.138 -3.824 10.807 1.00 0.00 H new ATOM 0 HB THR A 12 -7.300 -6.736 11.202 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.885 -5.702 13.328 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.773 -6.775 13.141 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.865 -6.445 11.647 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.241 -5.118 12.770 1.00 0.00 H new ATOM 260 N ARG A 13 -4.839 -3.335 10.360 1.00 0.00 N ATOM 261 CA ARG A 13 -3.472 -2.961 10.041 1.00 0.00 C ATOM 262 C ARG A 13 -3.402 -2.345 8.643 1.00 0.00 C ATOM 263 O ARG A 13 -2.346 -2.346 8.012 1.00 0.00 O ATOM 264 CB ARG A 13 -2.541 -4.174 10.103 1.00 0.00 C ATOM 265 CG ARG A 13 -2.769 -4.975 11.387 1.00 0.00 C ATOM 266 CD ARG A 13 -1.650 -4.719 12.399 1.00 0.00 C ATOM 267 NE ARG A 13 -1.153 -6.004 12.940 1.00 0.00 N ATOM 268 CZ ARG A 13 -0.035 -6.130 13.667 1.00 0.00 C ATOM 269 NH1 ARG A 13 0.710 -5.051 13.945 1.00 0.00 N ATOM 270 NH2 ARG A 13 0.339 -7.336 14.116 1.00 0.00 N ATOM 0 H ARG A 13 -5.385 -2.604 10.816 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.148 -2.229 10.781 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.712 -4.813 9.236 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.503 -3.843 10.056 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.729 -4.702 11.824 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.816 -6.039 11.153 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.834 -4.176 11.922 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.019 -4.092 13.210 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.696 -6.846 12.747 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.426 -4.133 13.603 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.561 -5.148 14.499 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.228 -8.157 13.904 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.190 -7.433 14.670 1.00 0.00 H new ATOM 284 N CYS A 14 -4.541 -1.833 8.199 1.00 0.00 N ATOM 285 CA CYS A 14 -4.622 -1.214 6.887 1.00 0.00 C ATOM 286 C CYS A 14 -5.785 -0.219 6.896 1.00 0.00 C ATOM 287 O CYS A 14 -5.573 0.989 6.809 1.00 0.00 O ATOM 288 CB CYS A 14 -4.773 -2.258 5.778 1.00 0.00 C ATOM 289 SG CYS A 14 -3.514 -3.586 5.798 1.00 0.00 S ATOM 0 H CYS A 14 -5.415 -1.834 8.725 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.694 -0.684 6.674 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.761 -2.712 5.858 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.732 -1.752 4.814 1.00 0.00 H new ATOM 294 N LEU A 15 -6.987 -0.765 7.002 1.00 0.00 N ATOM 295 CA LEU A 15 -8.184 0.060 7.024 1.00 0.00 C ATOM 296 C LEU A 15 -7.942 1.278 7.917 1.00 0.00 C ATOM 297 O LEU A 15 -8.334 2.392 7.573 1.00 0.00 O ATOM 298 CB LEU A 15 -9.400 -0.772 7.434 1.00 0.00 C ATOM 299 CG LEU A 15 -10.419 -1.061 6.329 1.00 0.00 C ATOM 300 CD1 LEU A 15 -9.772 -1.828 5.174 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.642 -1.790 6.888 1.00 0.00 C ATOM 0 H LEU A 15 -7.158 -1.768 7.074 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.406 0.436 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.047 -1.723 7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.911 -0.256 8.246 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.768 -0.109 5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.517 -2.021 4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.959 -1.235 4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.378 -2.775 5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.350 -1.983 6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.331 -2.736 7.332 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.118 -1.171 7.649 1.00 0.00 H new ATOM 313 N GLN A 16 -7.298 1.025 9.047 1.00 0.00 N ATOM 314 CA GLN A 16 -7.000 2.087 9.992 1.00 0.00 C ATOM 315 C GLN A 16 -6.510 3.334 9.253 1.00 0.00 C ATOM 316 O GLN A 16 -6.674 4.452 9.738 1.00 0.00 O ATOM 317 CB GLN A 16 -5.973 1.626 11.029 1.00 0.00 C ATOM 318 CG GLN A 16 -4.568 1.575 10.424 1.00 0.00 C ATOM 319 CD GLN A 16 -3.512 1.354 11.508 1.00 0.00 C ATOM 320 OE1 GLN A 16 -3.380 2.121 12.448 1.00 0.00 O ATOM 321 NE2 GLN A 16 -2.770 0.265 11.327 1.00 0.00 N ATOM 0 H GLN A 16 -6.974 0.100 9.329 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.917 2.341 10.524 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.981 2.305 11.881 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.247 0.640 11.404 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.514 0.772 9.689 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.362 2.505 9.895 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.933 -0.335 10.518 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.038 0.029 11.997 1.00 0.00 H new ATOM 330 N CYS A 17 -5.919 3.100 8.090 1.00 0.00 N ATOM 331 CA CYS A 17 -5.405 4.190 7.279 1.00 0.00 C ATOM 332 C CYS A 17 -6.224 4.256 5.988 1.00 0.00 C ATOM 333 O CYS A 17 -6.895 5.210 5.585 1.00 0.00 O ATOM 334 CB CYS A 17 -3.910 4.030 6.998 1.00 0.00 C ATOM 335 SG CYS A 17 -2.841 4.083 8.483 1.00 0.00 S ATOM 0 H CYS A 17 -5.785 2.171 7.690 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.507 5.130 7.822 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.750 3.081 6.486 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.597 4.818 6.313 1.00 0.00 H new ATOM 340 N HIS A 18 -6.188 3.112 5.215 1.00 0.00 N ATOM 341 CA HIS A 18 -6.591 3.076 3.795 1.00 0.00 C ATOM 342 C HIS A 18 -7.977 2.506 3.532 1.00 0.00 C ATOM 343 O HIS A 18 -8.650 1.901 4.365 1.00 0.00 O ATOM 344 CB HIS A 18 -5.666 2.145 3.000 1.00 0.00 C ATOM 345 CG HIS A 18 -4.188 2.408 2.891 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.654 3.222 1.957 1.00 0.00 N ATOM 347 CD2 HIS A 18 -3.131 1.875 3.603 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.412 3.245 2.098 1.00 0.00 C ATOM 349 NE2 HIS A 18 -1.995 2.396 3.084 1.00 0.00 N ATOM 0 H HIS A 18 -5.879 2.209 5.574 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.553 4.124 3.498 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.779 1.148 3.425 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.056 2.104 1.983 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.179 3.736 1.250 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.199 1.173 4.421 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.748 3.862 1.511 1.00 0.00 H new ATOM 357 N THR A 19 -8.369 2.758 2.291 1.00 0.00 N ATOM 358 CA THR A 19 -9.669 2.319 1.813 1.00 0.00 C ATOM 359 C THR A 19 -9.572 1.850 0.360 1.00 0.00 C ATOM 360 O THR A 19 -9.275 2.642 -0.533 1.00 0.00 O ATOM 361 CB THR A 19 -10.659 3.468 2.016 1.00 0.00 C ATOM 362 OG1 THR A 19 -10.184 4.493 1.148 1.00 0.00 O ATOM 363 CG2 THR A 19 -10.560 4.087 3.412 1.00 0.00 C ATOM 0 H THR A 19 -7.809 3.261 1.602 1.00 0.00 H new ATOM 0 HA THR A 19 -10.028 1.458 2.376 1.00 0.00 H new ATOM 0 HB THR A 19 -11.674 3.106 1.851 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.522 4.118 0.530 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.284 4.897 3.503 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.771 3.326 4.163 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.555 4.480 3.566 1.00 0.00 H new ATOM 371 N VAL A 20 -9.829 0.564 0.169 1.00 0.00 N ATOM 372 CA VAL A 20 -9.775 -0.020 -1.160 1.00 0.00 C ATOM 373 C VAL A 20 -10.995 0.435 -1.963 1.00 0.00 C ATOM 374 O VAL A 20 -10.965 0.447 -3.192 1.00 0.00 O ATOM 375 CB VAL A 20 -9.659 -1.542 -1.059 1.00 0.00 C ATOM 376 CG1 VAL A 20 -10.958 -2.157 -0.533 1.00 0.00 C ATOM 377 CG2 VAL A 20 -9.269 -2.154 -2.406 1.00 0.00 C ATOM 0 H VAL A 20 -10.075 -0.089 0.913 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.889 0.325 -1.693 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.867 -1.770 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.849 -3.240 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.175 -1.757 0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.776 -1.913 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.194 -3.237 -2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.028 -1.911 -3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.307 -1.751 -2.724 1.00 0.00 H new ATOM 387 N GLU A 21 -12.041 0.797 -1.234 1.00 0.00 N ATOM 388 CA GLU A 21 -13.270 1.251 -1.863 1.00 0.00 C ATOM 389 C GLU A 21 -13.011 2.518 -2.681 1.00 0.00 C ATOM 390 O GLU A 21 -11.997 3.188 -2.490 1.00 0.00 O ATOM 391 CB GLU A 21 -14.365 1.486 -0.820 1.00 0.00 C ATOM 392 CG GLU A 21 -14.322 0.414 0.270 1.00 0.00 C ATOM 393 CD GLU A 21 -13.893 1.013 1.611 1.00 0.00 C ATOM 394 OE1 GLU A 21 -14.304 2.163 1.876 1.00 0.00 O ATOM 395 OE2 GLU A 21 -13.165 0.306 2.341 1.00 0.00 O ATOM 0 H GLU A 21 -12.063 0.785 -0.214 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.619 0.471 -2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.239 2.471 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.341 1.478 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.305 -0.047 0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.628 -0.375 -0.018 1.00 0.00 H new ATOM 402 N LYS A 22 -13.945 2.808 -3.574 1.00 0.00 N ATOM 403 CA LYS A 22 -13.831 3.983 -4.422 1.00 0.00 C ATOM 404 C LYS A 22 -14.457 5.184 -3.710 1.00 0.00 C ATOM 405 O LYS A 22 -15.105 5.028 -2.675 1.00 0.00 O ATOM 406 CB LYS A 22 -14.428 3.707 -5.803 1.00 0.00 C ATOM 407 CG LYS A 22 -13.873 4.682 -6.845 1.00 0.00 C ATOM 408 CD LYS A 22 -14.030 4.120 -8.259 1.00 0.00 C ATOM 409 CE LYS A 22 -15.040 4.940 -9.065 1.00 0.00 C ATOM 410 NZ LYS A 22 -16.011 4.049 -9.739 1.00 0.00 N ATOM 0 H LYS A 22 -14.784 2.250 -3.729 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.783 4.226 -4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.204 2.683 -6.102 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.513 3.796 -5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.394 5.636 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.820 4.877 -6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.065 4.125 -8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.357 3.082 -8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.567 5.629 -8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.517 5.545 -9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.689 4.621 -10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.505 3.409 -10.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.522 3.490 -9.026 1.00 0.00 H new ATOM 424 N GLY A 23 -14.243 6.354 -4.292 1.00 0.00 N ATOM 425 CA GLY A 23 -14.779 7.581 -3.726 1.00 0.00 C ATOM 426 C GLY A 23 -14.610 7.602 -2.205 1.00 0.00 C ATOM 427 O GLY A 23 -15.591 7.703 -1.469 1.00 0.00 O ATOM 0 H GLY A 23 -13.706 6.479 -5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.271 8.440 -4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.835 7.672 -3.980 1.00 0.00 H new ATOM 431 N GLY A 24 -13.360 7.505 -1.779 1.00 0.00 N ATOM 432 CA GLY A 24 -13.050 7.512 -0.360 1.00 0.00 C ATOM 433 C GLY A 24 -12.149 8.696 -0.001 1.00 0.00 C ATOM 434 O GLY A 24 -11.319 9.116 -0.806 1.00 0.00 O ATOM 0 H GLY A 24 -12.549 7.421 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.973 7.565 0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.557 6.579 -0.087 1.00 0.00 H new ATOM 438 N PRO A 25 -12.348 9.214 1.241 1.00 0.00 N ATOM 439 CA PRO A 25 -11.563 10.341 1.716 1.00 0.00 C ATOM 440 C PRO A 25 -10.145 9.903 2.088 1.00 0.00 C ATOM 441 O PRO A 25 -9.940 8.788 2.565 1.00 0.00 O ATOM 442 CB PRO A 25 -12.343 10.893 2.898 1.00 0.00 C ATOM 443 CG PRO A 25 -13.287 9.782 3.330 1.00 0.00 C ATOM 444 CD PRO A 25 -13.321 8.742 2.222 1.00 0.00 C ATOM 0 HA PRO A 25 -11.424 11.108 0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.673 11.175 3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.897 11.789 2.617 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.947 9.334 4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.286 10.179 3.512 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.057 7.754 2.598 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.316 8.661 1.785 1.00 0.00 H new ATOM 452 N HIS A 26 -9.202 10.804 1.855 1.00 0.00 N ATOM 453 CA HIS A 26 -7.809 10.526 2.159 1.00 0.00 C ATOM 454 C HIS A 26 -7.572 10.675 3.663 1.00 0.00 C ATOM 455 O HIS A 26 -7.631 11.781 4.198 1.00 0.00 O ATOM 456 CB HIS A 26 -6.882 11.410 1.323 1.00 0.00 C ATOM 457 CG HIS A 26 -7.058 11.247 -0.168 1.00 0.00 C ATOM 458 ND1 HIS A 26 -7.265 10.017 -0.768 1.00 0.00 N ATOM 459 CD2 HIS A 26 -7.058 12.170 -1.172 1.00 0.00 C ATOM 460 CE1 HIS A 26 -7.381 10.203 -2.075 1.00 0.00 C ATOM 461 NE2 HIS A 26 -7.252 11.538 -2.323 1.00 0.00 N ATOM 0 H HIS A 26 -9.376 11.728 1.459 1.00 0.00 H new ATOM 0 HA HIS A 26 -7.574 9.496 1.889 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.056 12.453 1.587 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -5.848 11.183 1.583 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.923 13.235 -1.051 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -7.548 9.433 -2.814 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -7.297 11.978 -3.242 1.00 0.00 H new ATOM 469 N LYS A 27 -7.310 9.545 4.304 1.00 0.00 N ATOM 470 CA LYS A 27 -7.064 9.537 5.736 1.00 0.00 C ATOM 471 C LYS A 27 -5.555 9.517 5.990 1.00 0.00 C ATOM 472 O LYS A 27 -4.864 10.498 5.719 1.00 0.00 O ATOM 473 CB LYS A 27 -7.814 8.381 6.402 1.00 0.00 C ATOM 474 CG LYS A 27 -9.303 8.705 6.546 1.00 0.00 C ATOM 475 CD LYS A 27 -9.666 8.977 8.007 1.00 0.00 C ATOM 476 CE LYS A 27 -9.232 10.383 8.427 1.00 0.00 C ATOM 477 NZ LYS A 27 -10.340 11.084 9.114 1.00 0.00 N ATOM 0 H LYS A 27 -7.263 8.629 3.858 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.453 10.446 6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.691 7.474 5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.385 8.182 7.384 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.550 9.575 5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.898 7.873 6.168 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.742 8.868 8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.186 8.238 8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.368 10.321 9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.922 10.952 7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.029 12.036 9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.154 11.160 8.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.617 10.549 9.962 1.00 0.00 H new ATOM 491 N VAL A 28 -5.089 8.391 6.508 1.00 0.00 N ATOM 492 CA VAL A 28 -3.675 8.231 6.802 1.00 0.00 C ATOM 493 C VAL A 28 -2.942 7.786 5.534 1.00 0.00 C ATOM 494 O VAL A 28 -1.767 8.100 5.350 1.00 0.00 O ATOM 495 CB VAL A 28 -3.490 7.261 7.970 1.00 0.00 C ATOM 496 CG1 VAL A 28 -2.006 6.986 8.225 1.00 0.00 C ATOM 497 CG2 VAL A 28 -4.174 7.787 9.233 1.00 0.00 C ATOM 0 H VAL A 28 -5.666 7.580 6.732 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.240 9.181 7.113 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.964 6.318 7.700 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.903 6.294 9.060 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.559 6.548 7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.499 7.921 8.464 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.027 7.078 10.048 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.742 8.750 9.507 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.241 7.908 9.045 1.00 0.00 H new ATOM 507 N GLY A 29 -3.667 7.063 4.693 1.00 0.00 N ATOM 508 CA GLY A 29 -3.100 6.572 3.448 1.00 0.00 C ATOM 509 C GLY A 29 -4.007 6.908 2.263 1.00 0.00 C ATOM 510 O GLY A 29 -5.213 7.086 2.430 1.00 0.00 O ATOM 0 H GLY A 29 -4.642 6.805 4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.115 7.013 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.960 5.493 3.509 1.00 0.00 H new ATOM 514 N PRO A 30 -3.376 6.988 1.061 1.00 0.00 N ATOM 515 CA PRO A 30 -4.113 7.301 -0.152 1.00 0.00 C ATOM 516 C PRO A 30 -4.930 6.096 -0.622 1.00 0.00 C ATOM 517 O PRO A 30 -4.455 4.962 -0.575 1.00 0.00 O ATOM 518 CB PRO A 30 -3.055 7.729 -1.156 1.00 0.00 C ATOM 519 CG PRO A 30 -1.734 7.199 -0.621 1.00 0.00 C ATOM 520 CD PRO A 30 -1.950 6.785 0.826 1.00 0.00 C ATOM 0 HA PRO A 30 -4.847 8.093 -0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.267 7.322 -2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.028 8.814 -1.257 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.395 6.350 -1.214 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.960 7.964 -0.688 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.666 5.745 0.987 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.347 7.388 1.505 1.00 0.00 H new ATOM 528 N ASN A 31 -6.146 6.382 -1.065 1.00 0.00 N ATOM 529 CA ASN A 31 -7.034 5.336 -1.543 1.00 0.00 C ATOM 530 C ASN A 31 -6.287 4.462 -2.553 1.00 0.00 C ATOM 531 O ASN A 31 -5.857 4.944 -3.599 1.00 0.00 O ATOM 532 CB ASN A 31 -8.256 5.931 -2.246 1.00 0.00 C ATOM 533 CG ASN A 31 -9.495 5.849 -1.353 1.00 0.00 C ATOM 534 OD1 ASN A 31 -9.619 6.537 -0.353 1.00 0.00 O ATOM 535 ND2 ASN A 31 -10.404 4.970 -1.767 1.00 0.00 N ATOM 0 H ASN A 31 -6.537 7.323 -1.103 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.361 4.751 -0.683 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.059 6.971 -2.507 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.439 5.397 -3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.267 4.841 -1.238 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.238 4.425 -2.613 1.00 0.00 H new ATOM 542 N LEU A 32 -6.156 3.191 -2.203 1.00 0.00 N ATOM 543 CA LEU A 32 -5.469 2.244 -3.065 1.00 0.00 C ATOM 544 C LEU A 32 -6.343 1.944 -4.284 1.00 0.00 C ATOM 545 O LEU A 32 -5.996 2.311 -5.406 1.00 0.00 O ATOM 546 CB LEU A 32 -5.064 0.997 -2.276 1.00 0.00 C ATOM 547 CG LEU A 32 -4.261 1.243 -0.997 1.00 0.00 C ATOM 548 CD1 LEU A 32 -4.077 -0.054 -0.207 1.00 0.00 C ATOM 549 CD2 LEU A 32 -2.924 1.917 -1.311 1.00 0.00 C ATOM 0 H LEU A 32 -6.514 2.795 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.539 2.673 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.968 0.448 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.478 0.352 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.827 1.927 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.503 0.149 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.053 -0.456 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.544 -0.781 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.373 2.081 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.340 1.277 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.105 2.874 -1.800 1.00 0.00 H new ATOM 561 N HIS A 33 -7.459 1.279 -4.023 1.00 0.00 N ATOM 562 CA HIS A 33 -8.385 0.926 -5.086 1.00 0.00 C ATOM 563 C HIS A 33 -7.802 -0.221 -5.914 1.00 0.00 C ATOM 564 O HIS A 33 -7.237 -1.165 -5.363 1.00 0.00 O ATOM 565 CB HIS A 33 -8.733 2.151 -5.933 1.00 0.00 C ATOM 566 CG HIS A 33 -10.085 2.072 -6.601 1.00 0.00 C ATOM 567 ND1 HIS A 33 -10.702 0.871 -6.904 1.00 0.00 N ATOM 568 CD2 HIS A 33 -10.931 3.056 -7.020 1.00 0.00 C ATOM 569 CE1 HIS A 33 -11.866 1.132 -7.480 1.00 0.00 C ATOM 570 NE2 HIS A 33 -12.006 2.487 -7.551 1.00 0.00 N ATOM 0 H HIS A 33 -7.743 0.975 -3.091 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.323 0.577 -4.655 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.703 3.038 -5.300 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.968 2.280 -6.699 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -10.325 -0.058 -6.716 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.756 4.118 -6.934 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.579 0.401 -7.832 1.00 0.00 H new ATOM 578 N GLY A 34 -7.960 -0.103 -7.224 1.00 0.00 N ATOM 579 CA GLY A 34 -7.457 -1.118 -8.133 1.00 0.00 C ATOM 580 C GLY A 34 -6.000 -0.842 -8.511 1.00 0.00 C ATOM 581 O GLY A 34 -5.680 -0.678 -9.687 1.00 0.00 O ATOM 0 H GLY A 34 -8.430 0.681 -7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.536 -2.100 -7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.072 -1.142 -9.033 1.00 0.00 H new ATOM 585 N ILE A 35 -5.155 -0.800 -7.491 1.00 0.00 N ATOM 586 CA ILE A 35 -3.740 -0.547 -7.701 1.00 0.00 C ATOM 587 C ILE A 35 -3.157 -1.645 -8.593 1.00 0.00 C ATOM 588 O ILE A 35 -3.857 -2.199 -9.440 1.00 0.00 O ATOM 589 CB ILE A 35 -3.018 -0.396 -6.360 1.00 0.00 C ATOM 590 CG1 ILE A 35 -2.933 -1.737 -5.629 1.00 0.00 C ATOM 591 CG2 ILE A 35 -3.678 0.685 -5.501 1.00 0.00 C ATOM 592 CD1 ILE A 35 -3.908 -1.782 -4.451 1.00 0.00 C ATOM 0 H ILE A 35 -5.424 -0.937 -6.517 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.595 0.399 -8.223 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.996 -0.072 -6.557 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.157 -2.548 -6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.916 -1.896 -5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.146 0.772 -4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.642 1.639 -6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.716 0.414 -5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.827 -2.746 -3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.666 -0.985 -3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.926 -1.647 -4.816 1.00 0.00 H new ATOM 604 N PHE A 36 -1.882 -1.928 -8.372 1.00 0.00 N ATOM 605 CA PHE A 36 -1.197 -2.950 -9.145 1.00 0.00 C ATOM 606 C PHE A 36 -1.300 -2.664 -10.644 1.00 0.00 C ATOM 607 O PHE A 36 -2.324 -2.947 -11.265 1.00 0.00 O ATOM 608 CB PHE A 36 -1.890 -4.280 -8.842 1.00 0.00 C ATOM 609 CG PHE A 36 -1.680 -4.780 -7.411 1.00 0.00 C ATOM 610 CD1 PHE A 36 -0.424 -5.049 -6.963 1.00 0.00 C ATOM 611 CD2 PHE A 36 -2.748 -4.955 -6.588 1.00 0.00 C ATOM 612 CE1 PHE A 36 -0.229 -5.513 -5.636 1.00 0.00 C ATOM 613 CE2 PHE A 36 -2.552 -5.419 -5.260 1.00 0.00 C ATOM 614 CZ PHE A 36 -1.297 -5.689 -4.812 1.00 0.00 C ATOM 0 H PHE A 36 -1.305 -1.467 -7.668 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.140 -2.972 -8.879 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.959 -4.171 -9.024 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.524 -5.035 -9.537 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.424 -4.910 -7.617 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.745 -4.741 -6.944 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.768 -5.727 -5.280 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.400 -5.557 -4.606 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.148 -6.043 -3.803 1.00 0.00 H new ATOM 624 N GLY A 37 -0.226 -2.107 -11.183 1.00 0.00 N ATOM 625 CA GLY A 37 -0.183 -1.780 -12.599 1.00 0.00 C ATOM 626 C GLY A 37 0.214 -0.318 -12.811 1.00 0.00 C ATOM 627 O GLY A 37 0.858 0.016 -13.805 1.00 0.00 O ATOM 0 H GLY A 37 0.621 -1.874 -10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.530 -2.431 -13.105 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.159 -1.965 -13.049 1.00 0.00 H new ATOM 631 N ARG A 38 -0.187 0.515 -11.862 1.00 0.00 N ATOM 632 CA ARG A 38 0.118 1.934 -11.934 1.00 0.00 C ATOM 633 C ARG A 38 1.503 2.209 -11.345 1.00 0.00 C ATOM 634 O ARG A 38 2.119 1.321 -10.757 1.00 0.00 O ATOM 635 CB ARG A 38 -0.923 2.760 -11.176 1.00 0.00 C ATOM 636 CG ARG A 38 -2.076 3.166 -12.096 1.00 0.00 C ATOM 637 CD ARG A 38 -1.551 3.722 -13.421 1.00 0.00 C ATOM 638 NE ARG A 38 -2.541 4.653 -14.008 1.00 0.00 N ATOM 639 CZ ARG A 38 -2.610 4.951 -15.312 1.00 0.00 C ATOM 640 NH1 ARG A 38 -1.748 4.395 -16.174 1.00 0.00 N ATOM 641 NH2 ARG A 38 -3.541 5.807 -15.755 1.00 0.00 N ATOM 0 H ARG A 38 -0.720 0.235 -11.039 1.00 0.00 H new ATOM 0 HA ARG A 38 0.101 2.224 -12.985 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.309 2.183 -10.336 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.453 3.652 -10.761 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.714 2.303 -12.287 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.693 3.916 -11.602 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.605 4.239 -13.258 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.352 2.905 -14.114 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.212 5.095 -13.380 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.038 3.744 -15.837 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.801 4.623 -17.167 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.197 6.231 -15.099 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.594 6.034 -16.748 1.00 0.00 H new ATOM 655 N HIS A 39 1.953 3.442 -11.525 1.00 0.00 N ATOM 656 CA HIS A 39 3.255 3.845 -11.020 1.00 0.00 C ATOM 657 C HIS A 39 3.095 4.469 -9.632 1.00 0.00 C ATOM 658 O HIS A 39 2.538 5.557 -9.497 1.00 0.00 O ATOM 659 CB HIS A 39 3.959 4.774 -12.010 1.00 0.00 C ATOM 660 CG HIS A 39 5.049 4.104 -12.812 1.00 0.00 C ATOM 661 ND1 HIS A 39 5.511 4.608 -14.016 1.00 0.00 N ATOM 662 CD2 HIS A 39 5.763 2.968 -12.570 1.00 0.00 C ATOM 663 CE1 HIS A 39 6.460 3.802 -14.469 1.00 0.00 C ATOM 664 NE2 HIS A 39 6.615 2.786 -13.572 1.00 0.00 N ATOM 0 H HIS A 39 1.439 4.175 -12.014 1.00 0.00 H new ATOM 0 HA HIS A 39 3.896 2.969 -10.916 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.218 5.186 -12.696 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.388 5.613 -11.463 1.00 0.00 H new ATOM 0 HD2 HIS A 39 5.654 2.325 -11.709 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.014 3.927 -15.388 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.276 2.014 -13.657 1.00 0.00 H new ATOM 672 N SER A 40 3.595 3.753 -8.635 1.00 0.00 N ATOM 673 CA SER A 40 3.515 4.223 -7.263 1.00 0.00 C ATOM 674 C SER A 40 2.145 4.853 -7.004 1.00 0.00 C ATOM 675 O SER A 40 1.200 4.625 -7.758 1.00 0.00 O ATOM 676 CB SER A 40 4.627 5.228 -6.959 1.00 0.00 C ATOM 677 OG SER A 40 4.446 6.454 -7.662 1.00 0.00 O ATOM 0 H SER A 40 4.057 2.851 -8.751 1.00 0.00 H new ATOM 0 HA SER A 40 3.645 3.367 -6.601 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.654 5.425 -5.887 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.590 4.795 -7.228 1.00 0.00 H new ATOM 0 HG SER A 40 3.751 6.341 -8.343 1.00 0.00 H new ATOM 683 N GLY A 41 2.080 5.635 -5.936 1.00 0.00 N ATOM 684 CA GLY A 41 0.842 6.300 -5.569 1.00 0.00 C ATOM 685 C GLY A 41 0.221 7.007 -6.776 1.00 0.00 C ATOM 686 O GLY A 41 0.900 7.752 -7.480 1.00 0.00 O ATOM 0 H GLY A 41 2.866 5.823 -5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.138 5.571 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.035 7.025 -4.778 1.00 0.00 H new ATOM 690 N GLN A 42 -1.063 6.748 -6.977 1.00 0.00 N ATOM 691 CA GLN A 42 -1.783 7.350 -8.086 1.00 0.00 C ATOM 692 C GLN A 42 -3.142 7.872 -7.615 1.00 0.00 C ATOM 693 O GLN A 42 -4.119 7.829 -8.361 1.00 0.00 O ATOM 694 CB GLN A 42 -1.946 6.357 -9.238 1.00 0.00 C ATOM 695 CG GLN A 42 -0.608 6.101 -9.935 1.00 0.00 C ATOM 696 CD GLN A 42 -0.790 5.998 -11.450 1.00 0.00 C ATOM 697 OE1 GLN A 42 -1.893 5.925 -11.966 1.00 0.00 O ATOM 698 NE2 GLN A 42 0.351 5.996 -12.133 1.00 0.00 N ATOM 0 H GLN A 42 -1.623 6.129 -6.390 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.200 8.193 -8.457 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.348 5.418 -8.859 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.667 6.745 -9.958 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.087 6.908 -9.703 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.166 5.180 -9.555 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.241 6.060 -11.639 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.336 5.931 -13.151 1.00 0.00 H new ATOM 707 N ALA A 43 -3.161 8.353 -6.381 1.00 0.00 N ATOM 708 CA ALA A 43 -4.384 8.883 -5.802 1.00 0.00 C ATOM 709 C ALA A 43 -4.711 10.228 -6.454 1.00 0.00 C ATOM 710 O ALA A 43 -5.823 10.734 -6.316 1.00 0.00 O ATOM 711 CB ALA A 43 -4.224 8.994 -4.285 1.00 0.00 C ATOM 0 H ALA A 43 -2.348 8.387 -5.765 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.221 8.212 -5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.141 9.392 -3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.022 8.008 -3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.394 9.662 -4.055 1.00 0.00 H new ATOM 717 N GLU A 44 -3.721 10.767 -7.151 1.00 0.00 N ATOM 718 CA GLU A 44 -3.890 12.044 -7.824 1.00 0.00 C ATOM 719 C GLU A 44 -4.822 12.951 -7.018 1.00 0.00 C ATOM 720 O GLU A 44 -6.035 12.939 -7.222 1.00 0.00 O ATOM 721 CB GLU A 44 -4.413 11.847 -9.248 1.00 0.00 C ATOM 722 CG GLU A 44 -4.611 13.192 -9.950 1.00 0.00 C ATOM 723 CD GLU A 44 -6.096 13.551 -10.039 1.00 0.00 C ATOM 724 OE1 GLU A 44 -6.813 12.826 -10.761 1.00 0.00 O ATOM 725 OE2 GLU A 44 -6.480 14.543 -9.382 1.00 0.00 O ATOM 0 H GLU A 44 -2.800 10.343 -7.264 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.916 12.528 -7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.711 11.236 -9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.358 11.304 -9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.077 13.972 -9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.183 13.150 -10.951 1.00 0.00 H new ATOM 732 N GLY A 45 -4.219 13.715 -6.119 1.00 0.00 N ATOM 733 CA GLY A 45 -4.980 14.626 -5.281 1.00 0.00 C ATOM 734 C GLY A 45 -4.509 14.556 -3.827 1.00 0.00 C ATOM 735 O GLY A 45 -4.295 15.586 -3.189 1.00 0.00 O ATOM 0 H GLY A 45 -3.213 13.722 -5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.872 15.645 -5.653 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.040 14.377 -5.336 1.00 0.00 H new ATOM 739 N TYR A 46 -4.361 13.331 -3.344 1.00 0.00 N ATOM 740 CA TYR A 46 -3.920 13.113 -1.977 1.00 0.00 C ATOM 741 C TYR A 46 -2.617 13.864 -1.696 1.00 0.00 C ATOM 742 O TYR A 46 -1.731 13.918 -2.548 1.00 0.00 O ATOM 743 CB TYR A 46 -3.666 11.610 -1.851 1.00 0.00 C ATOM 744 CG TYR A 46 -3.294 11.158 -0.437 1.00 0.00 C ATOM 745 CD1 TYR A 46 -2.115 11.588 0.137 1.00 0.00 C ATOM 746 CD2 TYR A 46 -4.138 10.321 0.264 1.00 0.00 C ATOM 747 CE1 TYR A 46 -1.765 11.163 1.468 1.00 0.00 C ATOM 748 CE2 TYR A 46 -3.788 9.896 1.595 1.00 0.00 C ATOM 749 CZ TYR A 46 -2.619 10.338 2.131 1.00 0.00 C ATOM 750 OH TYR A 46 -2.288 9.937 3.388 1.00 0.00 O ATOM 0 H TYR A 46 -4.539 12.479 -3.876 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.668 13.471 -1.270 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.559 11.073 -2.170 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.864 11.329 -2.534 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.455 12.243 -0.412 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.061 9.985 -0.185 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.845 11.492 1.929 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.439 9.241 2.155 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.046 10.089 3.990 1.00 0.00 H new ATOM 760 N SER A 47 -2.540 14.423 -0.497 1.00 0.00 N ATOM 761 CA SER A 47 -1.360 15.168 -0.093 1.00 0.00 C ATOM 762 C SER A 47 -0.159 14.227 0.014 1.00 0.00 C ATOM 763 O SER A 47 0.219 13.820 1.111 1.00 0.00 O ATOM 764 CB SER A 47 -1.592 15.887 1.238 1.00 0.00 C ATOM 765 OG SER A 47 -1.717 14.973 2.324 1.00 0.00 O ATOM 0 H SER A 47 -3.276 14.375 0.208 1.00 0.00 H new ATOM 0 HA SER A 47 -1.155 15.923 -0.852 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.763 16.568 1.431 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.495 16.494 1.169 1.00 0.00 H new ATOM 0 HG SER A 47 -0.993 14.314 2.282 1.00 0.00 H new ATOM 771 N TYR A 48 0.408 13.910 -1.140 1.00 0.00 N ATOM 772 CA TYR A 48 1.560 13.024 -1.190 1.00 0.00 C ATOM 773 C TYR A 48 2.846 13.779 -0.849 1.00 0.00 C ATOM 774 O TYR A 48 2.819 14.986 -0.615 1.00 0.00 O ATOM 775 CB TYR A 48 1.643 12.523 -2.633 1.00 0.00 C ATOM 776 CG TYR A 48 1.022 11.141 -2.849 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.346 11.012 -2.978 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.830 10.024 -2.914 1.00 0.00 C ATOM 779 CE1 TYR A 48 -0.930 9.712 -3.181 1.00 0.00 C ATOM 780 CE2 TYR A 48 1.246 8.724 -3.117 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.106 8.632 -3.241 1.00 0.00 C ATOM 782 OH TYR A 48 -0.658 7.404 -3.432 1.00 0.00 O ATOM 0 H TYR A 48 0.092 14.250 -2.048 1.00 0.00 H new ATOM 0 HA TYR A 48 1.452 12.212 -0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.144 13.240 -3.285 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.690 12.491 -2.936 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.978 11.886 -2.927 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.900 10.125 -2.813 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.999 9.597 -3.283 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.867 7.842 -3.170 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.274 7.437 -4.194 1.00 0.00 H new ATOM 792 N THR A 49 3.943 13.035 -0.832 1.00 0.00 N ATOM 793 CA THR A 49 5.238 13.618 -0.524 1.00 0.00 C ATOM 794 C THR A 49 6.165 13.531 -1.738 1.00 0.00 C ATOM 795 O THR A 49 5.702 13.514 -2.877 1.00 0.00 O ATOM 796 CB THR A 49 5.791 12.913 0.715 1.00 0.00 C ATOM 797 OG1 THR A 49 6.283 11.671 0.217 1.00 0.00 O ATOM 798 CG2 THR A 49 4.691 12.510 1.700 1.00 0.00 C ATOM 0 H THR A 49 3.961 12.034 -1.027 1.00 0.00 H new ATOM 0 HA THR A 49 5.150 14.681 -0.298 1.00 0.00 H new ATOM 0 HB THR A 49 6.505 13.567 1.216 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.714 11.175 0.944 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.138 12.013 2.561 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.156 13.400 2.031 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.995 11.829 1.210 1.00 0.00 H new ATOM 806 N ASP A 50 7.458 13.477 -1.453 1.00 0.00 N ATOM 807 CA ASP A 50 8.454 13.392 -2.507 1.00 0.00 C ATOM 808 C ASP A 50 9.242 12.090 -2.353 1.00 0.00 C ATOM 809 O ASP A 50 10.373 11.985 -2.826 1.00 0.00 O ATOM 810 CB ASP A 50 9.443 14.556 -2.425 1.00 0.00 C ATOM 811 CG ASP A 50 9.482 15.459 -3.659 1.00 0.00 C ATOM 812 OD1 ASP A 50 8.385 15.860 -4.104 1.00 0.00 O ATOM 813 OD2 ASP A 50 10.608 15.729 -4.130 1.00 0.00 O ATOM 0 H ASP A 50 7.839 13.490 -0.507 1.00 0.00 H new ATOM 0 HA ASP A 50 7.936 13.427 -3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.194 15.165 -1.556 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.442 14.153 -2.256 1.00 0.00 H new ATOM 818 N ALA A 51 8.614 11.130 -1.689 1.00 0.00 N ATOM 819 CA ALA A 51 9.243 9.839 -1.467 1.00 0.00 C ATOM 820 C ALA A 51 8.480 8.764 -2.244 1.00 0.00 C ATOM 821 O ALA A 51 9.060 8.055 -3.064 1.00 0.00 O ATOM 822 CB ALA A 51 9.295 9.548 0.034 1.00 0.00 C ATOM 0 H ALA A 51 7.676 11.221 -1.298 1.00 0.00 H new ATOM 0 HA ALA A 51 10.269 9.844 -1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.767 8.580 0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.873 10.324 0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.282 9.532 0.437 1.00 0.00 H new ATOM 828 N ASN A 52 7.189 8.678 -1.957 1.00 0.00 N ATOM 829 CA ASN A 52 6.339 7.702 -2.619 1.00 0.00 C ATOM 830 C ASN A 52 6.283 8.012 -4.116 1.00 0.00 C ATOM 831 O ASN A 52 7.007 7.408 -4.906 1.00 0.00 O ATOM 832 CB ASN A 52 4.912 7.753 -2.071 1.00 0.00 C ATOM 833 CG ASN A 52 4.619 6.538 -1.188 1.00 0.00 C ATOM 834 OD1 ASN A 52 4.749 5.396 -1.596 1.00 0.00 O ATOM 835 ND2 ASN A 52 4.219 6.848 0.042 1.00 0.00 N ATOM 0 H ASN A 52 6.711 9.268 -1.276 1.00 0.00 H new ATOM 0 HA ASN A 52 6.759 6.712 -2.439 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.773 8.668 -1.495 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.202 7.786 -2.898 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.000 6.108 0.709 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.131 7.826 0.319 1.00 0.00 H new ATOM 842 N ILE A 53 5.416 8.953 -4.460 1.00 0.00 N ATOM 843 CA ILE A 53 5.256 9.350 -5.849 1.00 0.00 C ATOM 844 C ILE A 53 6.625 9.367 -6.531 1.00 0.00 C ATOM 845 O ILE A 53 6.732 9.076 -7.722 1.00 0.00 O ATOM 846 CB ILE A 53 4.506 10.681 -5.942 1.00 0.00 C ATOM 847 CG1 ILE A 53 2.994 10.466 -5.853 1.00 0.00 C ATOM 848 CG2 ILE A 53 4.903 11.447 -7.205 1.00 0.00 C ATOM 849 CD1 ILE A 53 2.265 11.790 -5.617 1.00 0.00 C ATOM 0 H ILE A 53 4.817 9.452 -3.802 1.00 0.00 H new ATOM 0 HA ILE A 53 4.642 8.626 -6.384 1.00 0.00 H new ATOM 0 HB ILE A 53 4.794 11.296 -5.089 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.633 10.007 -6.774 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.769 9.773 -5.042 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.356 12.389 -7.247 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.974 11.650 -7.186 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.663 10.849 -8.084 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.192 11.609 -5.558 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.610 12.234 -4.683 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.473 12.472 -6.442 1.00 0.00 H new ATOM 861 N LYS A 54 7.637 9.709 -5.748 1.00 0.00 N ATOM 862 CA LYS A 54 8.995 9.767 -6.262 1.00 0.00 C ATOM 863 C LYS A 54 9.611 8.368 -6.221 1.00 0.00 C ATOM 864 O LYS A 54 10.735 8.194 -5.752 1.00 0.00 O ATOM 865 CB LYS A 54 9.809 10.820 -5.508 1.00 0.00 C ATOM 866 CG LYS A 54 9.159 12.201 -5.622 1.00 0.00 C ATOM 867 CD LYS A 54 9.617 12.919 -6.893 1.00 0.00 C ATOM 868 CE LYS A 54 9.083 14.352 -6.935 1.00 0.00 C ATOM 869 NZ LYS A 54 10.166 15.298 -7.287 1.00 0.00 N ATOM 0 H LYS A 54 7.544 9.949 -4.761 1.00 0.00 H new ATOM 0 HA LYS A 54 8.994 10.085 -7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.891 10.538 -4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.822 10.857 -5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.074 12.097 -5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.415 12.801 -4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.706 12.931 -6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.270 12.372 -7.769 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.277 14.425 -7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.661 14.618 -5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.758 16.136 -7.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.668 15.588 -6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.834 14.835 -7.936 1.00 0.00 H new ATOM 883 N LYS A 55 8.849 7.405 -6.718 1.00 0.00 N ATOM 884 CA LYS A 55 9.306 6.026 -6.744 1.00 0.00 C ATOM 885 C LYS A 55 8.937 5.396 -8.089 1.00 0.00 C ATOM 886 O LYS A 55 9.768 4.748 -8.723 1.00 0.00 O ATOM 887 CB LYS A 55 8.763 5.259 -5.537 1.00 0.00 C ATOM 888 CG LYS A 55 9.564 3.977 -5.297 1.00 0.00 C ATOM 889 CD LYS A 55 10.912 4.287 -4.644 1.00 0.00 C ATOM 890 CE LYS A 55 12.068 3.753 -5.493 1.00 0.00 C ATOM 891 NZ LYS A 55 12.793 4.868 -6.142 1.00 0.00 N ATOM 0 H LYS A 55 7.917 7.553 -7.106 1.00 0.00 H new ATOM 0 HA LYS A 55 10.392 5.983 -6.658 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.807 5.891 -4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.714 5.012 -5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.994 3.302 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.725 3.462 -6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.018 5.364 -4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.950 3.841 -3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.753 3.182 -4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.685 3.070 -6.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.774 4.580 -6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.324 5.112 -7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.791 5.696 -5.513 1.00 0.00 H new ATOM 905 N ASN A 56 7.691 5.610 -8.484 1.00 0.00 N ATOM 906 CA ASN A 56 7.202 5.071 -9.742 1.00 0.00 C ATOM 907 C ASN A 56 7.315 3.546 -9.717 1.00 0.00 C ATOM 908 O ASN A 56 7.537 2.919 -10.751 1.00 0.00 O ATOM 909 CB ASN A 56 8.030 5.587 -10.921 1.00 0.00 C ATOM 910 CG ASN A 56 7.152 6.347 -11.917 1.00 0.00 C ATOM 911 OD1 ASN A 56 7.239 6.171 -13.121 1.00 0.00 O ATOM 912 ND2 ASN A 56 6.304 7.200 -11.349 1.00 0.00 N ATOM 0 H ASN A 56 7.005 6.149 -7.955 1.00 0.00 H new ATOM 0 HA ASN A 56 6.166 5.386 -9.863 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.821 6.241 -10.555 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.515 4.750 -11.423 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.675 7.756 -11.928 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.283 7.298 -10.334 1.00 0.00 H new ATOM 919 N VAL A 57 7.156 2.992 -8.524 1.00 0.00 N ATOM 920 CA VAL A 57 7.236 1.552 -8.350 1.00 0.00 C ATOM 921 C VAL A 57 5.987 0.900 -8.946 1.00 0.00 C ATOM 922 O VAL A 57 4.985 0.722 -8.254 1.00 0.00 O ATOM 923 CB VAL A 57 7.440 1.214 -6.872 1.00 0.00 C ATOM 924 CG1 VAL A 57 6.229 1.641 -6.040 1.00 0.00 C ATOM 925 CG2 VAL A 57 7.735 -0.276 -6.686 1.00 0.00 C ATOM 0 H VAL A 57 6.972 3.515 -7.668 1.00 0.00 H new ATOM 0 HA VAL A 57 8.098 1.150 -8.883 1.00 0.00 H new ATOM 0 HB VAL A 57 8.305 1.774 -6.517 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.400 1.389 -4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.083 2.717 -6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.340 1.121 -6.398 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.876 -0.490 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.899 -0.863 -7.066 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.641 -0.539 -7.233 1.00 0.00 H new ATOM 935 N LEU A 58 6.088 0.560 -10.223 1.00 0.00 N ATOM 936 CA LEU A 58 4.978 -0.068 -10.919 1.00 0.00 C ATOM 937 C LEU A 58 4.499 -1.280 -10.118 1.00 0.00 C ATOM 938 O LEU A 58 5.060 -2.369 -10.237 1.00 0.00 O ATOM 939 CB LEU A 58 5.370 -0.400 -12.361 1.00 0.00 C ATOM 940 CG LEU A 58 4.241 -0.347 -13.392 1.00 0.00 C ATOM 941 CD1 LEU A 58 4.202 1.012 -14.093 1.00 0.00 C ATOM 942 CD2 LEU A 58 4.353 -1.503 -14.388 1.00 0.00 C ATOM 0 H LEU A 58 6.921 0.708 -10.793 1.00 0.00 H new ATOM 0 HA LEU A 58 4.135 0.620 -10.991 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.152 0.292 -12.672 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.804 -1.400 -12.378 1.00 0.00 H new ATOM 0 HG LEU A 58 3.293 -0.466 -12.867 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.391 1.023 -14.821 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.038 1.797 -13.355 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.149 1.185 -14.603 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.538 -1.442 -15.110 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.307 -1.441 -14.911 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.293 -2.451 -13.853 1.00 0.00 H new ATOM 954 N TRP A 59 3.468 -1.051 -9.319 1.00 0.00 N ATOM 955 CA TRP A 59 2.907 -2.110 -8.498 1.00 0.00 C ATOM 956 C TRP A 59 2.465 -3.244 -9.425 1.00 0.00 C ATOM 957 O TRP A 59 2.015 -2.997 -10.543 1.00 0.00 O ATOM 958 CB TRP A 59 1.772 -1.580 -7.619 1.00 0.00 C ATOM 959 CG TRP A 59 2.136 -0.327 -6.821 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.589 0.893 -6.906 1.00 0.00 C ATOM 961 CD2 TRP A 59 3.156 -0.221 -5.805 1.00 0.00 C ATOM 962 NE1 TRP A 59 2.180 1.775 -6.024 1.00 0.00 N ATOM 963 CE2 TRP A 59 3.163 1.076 -5.333 1.00 0.00 C ATOM 964 CE3 TRP A 59 4.043 -1.188 -5.302 1.00 0.00 C ATOM 965 CZ2 TRP A 59 4.036 1.524 -4.336 1.00 0.00 C ATOM 966 CZ3 TRP A 59 4.910 -0.725 -4.305 1.00 0.00 C ATOM 967 CH2 TRP A 59 4.930 0.578 -3.819 1.00 0.00 C ATOM 0 H TRP A 59 3.006 -0.147 -9.223 1.00 0.00 H new ATOM 0 HA TRP A 59 3.655 -2.498 -7.806 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.911 -1.359 -8.250 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.467 -2.364 -6.926 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.786 1.154 -7.580 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.940 2.759 -5.902 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.055 -2.208 -5.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 4.021 2.545 -3.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 5.612 -1.429 -3.884 1.00 0.00 H new ATOM 0 HH2 TRP A 59 5.631 0.859 -3.047 1.00 0.00 H new ATOM 978 N ASP A 60 2.610 -4.463 -8.928 1.00 0.00 N ATOM 979 CA ASP A 60 2.232 -5.636 -9.698 1.00 0.00 C ATOM 980 C ASP A 60 1.592 -6.668 -8.767 1.00 0.00 C ATOM 981 O ASP A 60 0.435 -7.042 -8.951 1.00 0.00 O ATOM 982 CB ASP A 60 3.454 -6.283 -10.352 1.00 0.00 C ATOM 983 CG ASP A 60 3.146 -7.468 -11.269 1.00 0.00 C ATOM 984 OD1 ASP A 60 1.942 -7.771 -11.420 1.00 0.00 O ATOM 985 OD2 ASP A 60 4.120 -8.044 -11.799 1.00 0.00 O ATOM 0 H ASP A 60 2.984 -4.664 -8.001 1.00 0.00 H new ATOM 0 HA ASP A 60 1.534 -5.320 -10.473 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.983 -5.524 -10.929 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.133 -6.617 -9.567 1.00 0.00 H new ATOM 990 N GLU A 61 2.374 -7.098 -7.787 1.00 0.00 N ATOM 991 CA GLU A 61 1.898 -8.080 -6.827 1.00 0.00 C ATOM 992 C GLU A 61 2.982 -8.376 -5.789 1.00 0.00 C ATOM 993 O GLU A 61 2.753 -8.236 -4.589 1.00 0.00 O ATOM 994 CB GLU A 61 1.448 -9.362 -7.531 1.00 0.00 C ATOM 995 CG GLU A 61 0.948 -10.395 -6.519 1.00 0.00 C ATOM 996 CD GLU A 61 1.125 -11.817 -7.056 1.00 0.00 C ATOM 997 OE1 GLU A 61 2.278 -12.297 -7.021 1.00 0.00 O ATOM 998 OE2 GLU A 61 0.103 -12.392 -7.489 1.00 0.00 O ATOM 0 H GLU A 61 3.333 -6.785 -7.637 1.00 0.00 H new ATOM 0 HA GLU A 61 1.032 -7.665 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.655 -9.131 -8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.278 -9.779 -8.102 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.494 -10.285 -5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.104 -10.214 -6.298 1.00 0.00 H new ATOM 1005 N ASN A 62 4.141 -8.779 -6.289 1.00 0.00 N ATOM 1006 CA ASN A 62 5.262 -9.096 -5.420 1.00 0.00 C ATOM 1007 C ASN A 62 6.015 -7.809 -5.076 1.00 0.00 C ATOM 1008 O ASN A 62 6.185 -7.480 -3.903 1.00 0.00 O ATOM 1009 CB ASN A 62 6.242 -10.047 -6.110 1.00 0.00 C ATOM 1010 CG ASN A 62 5.898 -11.506 -5.803 1.00 0.00 C ATOM 1011 OD1 ASN A 62 6.758 -12.367 -5.707 1.00 0.00 O ATOM 1012 ND2 ASN A 62 4.596 -11.735 -5.655 1.00 0.00 N ATOM 0 H ASN A 62 4.328 -8.893 -7.285 1.00 0.00 H new ATOM 0 HA ASN A 62 4.868 -9.573 -4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.217 -9.883 -7.187 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.258 -9.832 -5.779 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.264 -12.677 -5.448 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.930 -10.969 -5.748 1.00 0.00 H new ATOM 1019 N ASN A 63 6.445 -7.116 -6.120 1.00 0.00 N ATOM 1020 CA ASN A 63 7.175 -5.873 -5.943 1.00 0.00 C ATOM 1021 C ASN A 63 6.537 -5.068 -4.810 1.00 0.00 C ATOM 1022 O ASN A 63 7.239 -4.473 -3.994 1.00 0.00 O ATOM 1023 CB ASN A 63 7.128 -5.020 -7.213 1.00 0.00 C ATOM 1024 CG ASN A 63 5.894 -4.116 -7.221 1.00 0.00 C ATOM 1025 OD1 ASN A 63 4.768 -4.560 -7.373 1.00 0.00 O ATOM 1026 ND2 ASN A 63 6.168 -2.826 -7.049 1.00 0.00 N ATOM 0 H ASN A 63 6.302 -7.392 -7.091 1.00 0.00 H new ATOM 0 HA ASN A 63 8.211 -6.121 -5.713 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.030 -4.411 -7.280 1.00 0.00 H new ATOM 0 HB3 ASN A 63 7.115 -5.667 -8.090 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.412 -2.141 -7.039 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.134 -2.522 -6.927 1.00 0.00 H new ATOM 1033 N MET A 64 5.212 -5.075 -4.795 1.00 0.00 N ATOM 1034 CA MET A 64 4.470 -4.353 -3.775 1.00 0.00 C ATOM 1035 C MET A 64 4.752 -4.925 -2.385 1.00 0.00 C ATOM 1036 O MET A 64 4.977 -4.176 -1.435 1.00 0.00 O ATOM 1037 CB MET A 64 2.972 -4.445 -4.072 1.00 0.00 C ATOM 1038 CG MET A 64 2.160 -3.667 -3.034 1.00 0.00 C ATOM 1039 SD MET A 64 0.468 -3.507 -3.580 1.00 0.00 S ATOM 1040 CE MET A 64 0.564 -1.942 -4.434 1.00 0.00 C ATOM 0 H MET A 64 4.633 -5.570 -5.473 1.00 0.00 H new ATOM 0 HA MET A 64 4.788 -3.311 -3.790 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.770 -4.050 -5.068 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.661 -5.490 -4.074 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.194 -4.181 -2.073 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.597 -2.680 -2.883 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.238 -1.290 -4.089 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.526 -1.474 -4.228 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.463 -2.106 -5.507 1.00 0.00 H new ATOM 1050 N SER A 65 4.731 -6.248 -2.308 1.00 0.00 N ATOM 1051 CA SER A 65 4.982 -6.929 -1.050 1.00 0.00 C ATOM 1052 C SER A 65 6.312 -6.460 -0.457 1.00 0.00 C ATOM 1053 O SER A 65 6.373 -6.063 0.706 1.00 0.00 O ATOM 1054 CB SER A 65 4.989 -8.447 -1.237 1.00 0.00 C ATOM 1055 OG SER A 65 4.970 -9.139 0.009 1.00 0.00 O ATOM 0 H SER A 65 4.544 -6.866 -3.097 1.00 0.00 H new ATOM 0 HA SER A 65 4.176 -6.680 -0.360 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.123 -8.743 -1.829 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.875 -8.739 -1.800 1.00 0.00 H new ATOM 0 HG SER A 65 4.973 -10.105 -0.153 1.00 0.00 H new ATOM 1061 N GLU A 66 7.346 -6.523 -1.283 1.00 0.00 N ATOM 1062 CA GLU A 66 8.672 -6.110 -0.855 1.00 0.00 C ATOM 1063 C GLU A 66 8.592 -4.800 -0.068 1.00 0.00 C ATOM 1064 O GLU A 66 9.166 -4.687 1.014 1.00 0.00 O ATOM 1065 CB GLU A 66 9.617 -5.974 -2.051 1.00 0.00 C ATOM 1066 CG GLU A 66 11.040 -6.393 -1.677 1.00 0.00 C ATOM 1067 CD GLU A 66 12.039 -5.961 -2.751 1.00 0.00 C ATOM 1068 OE1 GLU A 66 11.679 -6.080 -3.942 1.00 0.00 O ATOM 1069 OE2 GLU A 66 13.141 -5.522 -2.357 1.00 0.00 O ATOM 0 H GLU A 66 7.292 -6.854 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 66 9.077 -6.881 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.257 -6.591 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.619 -4.942 -2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.314 -5.948 -0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.083 -7.475 -1.550 1.00 0.00 H new ATOM 1076 N TYR A 67 7.876 -3.845 -0.642 1.00 0.00 N ATOM 1077 CA TYR A 67 7.714 -2.548 -0.008 1.00 0.00 C ATOM 1078 C TYR A 67 6.878 -2.663 1.269 1.00 0.00 C ATOM 1079 O TYR A 67 7.260 -2.138 2.314 1.00 0.00 O ATOM 1080 CB TYR A 67 6.964 -1.676 -1.017 1.00 0.00 C ATOM 1081 CG TYR A 67 6.186 -0.520 -0.384 1.00 0.00 C ATOM 1082 CD1 TYR A 67 6.849 0.623 0.013 1.00 0.00 C ATOM 1083 CD2 TYR A 67 4.821 -0.622 -0.210 1.00 0.00 C ATOM 1084 CE1 TYR A 67 6.117 1.710 0.608 1.00 0.00 C ATOM 1085 CE2 TYR A 67 4.088 0.465 0.386 1.00 0.00 C ATOM 1086 CZ TYR A 67 4.772 1.578 0.766 1.00 0.00 C ATOM 1087 OH TYR A 67 4.080 2.604 1.328 1.00 0.00 O ATOM 0 H TYR A 67 7.401 -3.943 -1.539 1.00 0.00 H new ATOM 0 HA TYR A 67 8.683 -2.131 0.266 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.679 -1.270 -1.733 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.271 -2.302 -1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.918 0.702 -0.123 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.302 -1.517 -0.521 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.624 2.610 0.922 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.019 0.398 0.528 1.00 0.00 H new ATOM 0 HH TYR A 67 3.293 2.252 1.794 1.00 0.00 H new ATOM 1097 N LEU A 68 5.754 -3.352 1.142 1.00 0.00 N ATOM 1098 CA LEU A 68 4.861 -3.542 2.272 1.00 0.00 C ATOM 1099 C LEU A 68 5.680 -3.942 3.501 1.00 0.00 C ATOM 1100 O LEU A 68 5.468 -3.413 4.592 1.00 0.00 O ATOM 1101 CB LEU A 68 3.755 -4.538 1.920 1.00 0.00 C ATOM 1102 CG LEU A 68 2.755 -4.082 0.855 1.00 0.00 C ATOM 1103 CD1 LEU A 68 1.782 -5.207 0.498 1.00 0.00 C ATOM 1104 CD2 LEU A 68 2.026 -2.811 1.296 1.00 0.00 C ATOM 0 H LEU A 68 5.441 -3.786 0.273 1.00 0.00 H new ATOM 0 HA LEU A 68 4.352 -2.610 2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.221 -5.463 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.204 -4.775 2.830 1.00 0.00 H new ATOM 0 HG LEU A 68 3.309 -3.837 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.083 -4.856 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.339 -6.061 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.230 -5.507 1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.321 -2.508 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.486 -3.004 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.751 -2.014 1.459 1.00 0.00 H new ATOM 1116 N THR A 69 6.597 -4.873 3.285 1.00 0.00 N ATOM 1117 CA THR A 69 7.448 -5.350 4.361 1.00 0.00 C ATOM 1118 C THR A 69 8.277 -4.199 4.936 1.00 0.00 C ATOM 1119 O THR A 69 8.220 -3.926 6.134 1.00 0.00 O ATOM 1120 CB THR A 69 8.300 -6.499 3.817 1.00 0.00 C ATOM 1121 OG1 THR A 69 7.931 -7.615 4.622 1.00 0.00 O ATOM 1122 CG2 THR A 69 9.791 -6.309 4.104 1.00 0.00 C ATOM 0 H THR A 69 6.769 -5.310 2.380 1.00 0.00 H new ATOM 0 HA THR A 69 6.856 -5.731 5.193 1.00 0.00 H new ATOM 0 HB THR A 69 8.146 -6.588 2.742 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.008 -7.375 5.569 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.350 -7.152 3.697 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.136 -5.386 3.639 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.950 -6.254 5.181 1.00 0.00 H new ATOM 1130 N ASN A 70 9.028 -3.555 4.054 1.00 0.00 N ATOM 1131 CA ASN A 70 9.867 -2.440 4.458 1.00 0.00 C ATOM 1132 C ASN A 70 9.527 -1.216 3.605 1.00 0.00 C ATOM 1133 O ASN A 70 10.281 -0.856 2.702 1.00 0.00 O ATOM 1134 CB ASN A 70 11.348 -2.763 4.254 1.00 0.00 C ATOM 1135 CG ASN A 70 12.005 -3.182 5.570 1.00 0.00 C ATOM 1136 OD1 ASN A 70 12.423 -4.314 5.753 1.00 0.00 O ATOM 1137 ND2 ASN A 70 12.073 -2.209 6.475 1.00 0.00 N ATOM 0 H ASN A 70 9.073 -3.784 3.061 1.00 0.00 H new ATOM 0 HA ASN A 70 9.683 -2.245 5.515 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.452 -3.563 3.521 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.861 -1.891 3.849 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.494 -2.389 7.386 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.704 -1.283 6.257 1.00 0.00 H new ATOM 1144 N PRO A 71 8.362 -0.594 3.930 1.00 0.00 N ATOM 1145 CA PRO A 71 7.914 0.582 3.203 1.00 0.00 C ATOM 1146 C PRO A 71 8.724 1.816 3.604 1.00 0.00 C ATOM 1147 O PRO A 71 8.869 2.687 2.765 1.00 0.00 O ATOM 1148 CB PRO A 71 6.436 0.708 3.535 1.00 0.00 C ATOM 1149 CG PRO A 71 6.218 -0.118 4.792 1.00 0.00 C ATOM 1150 CD PRO A 71 7.444 -0.993 4.993 1.00 0.00 C ATOM 0 HA PRO A 71 8.062 0.494 2.127 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.160 1.750 3.700 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.819 0.341 2.715 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.067 0.532 5.654 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.323 -0.732 4.695 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.885 -0.836 5.977 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.192 -2.051 4.922 1.00 0.00 H new HETATM 1158 N M3L A 72 9.189 1.802 4.844 1.00 0.00 N HETATM 1159 CA M3L A 72 9.957 2.933 5.406 1.00 0.00 C HETATM 1160 CB M3L A 72 9.977 2.801 6.942 1.00 0.00 C HETATM 1161 CG M3L A 72 8.629 3.381 7.373 1.00 0.00 C HETATM 1162 CD M3L A 72 8.247 2.967 8.806 1.00 0.00 C HETATM 1163 CE M3L A 72 8.996 3.938 9.741 1.00 0.00 C HETATM 1164 NZ M3L A 72 8.149 5.064 10.163 1.00 0.00 N HETATM 1165 C M3L A 72 11.384 3.073 4.947 1.00 0.00 C HETATM 1166 O M3L A 72 11.977 4.148 5.024 1.00 0.00 O HETATM 1167 CM1 M3L A 72 7.228 4.408 11.122 1.00 0.00 C HETATM 1168 CM2 M3L A 72 8.995 6.079 10.824 1.00 0.00 C HETATM 1169 CM3 M3L A 72 7.431 5.657 9.023 1.00 0.00 C HETATM 0 HM33 M3L A 72 8.150 6.023 8.290 1.00 0.00 H new HETATM 0 HM32 M3L A 72 6.795 4.902 8.561 1.00 0.00 H new HETATM 0 HM31 M3L A 72 6.815 6.486 9.372 1.00 0.00 H new HETATM 0 HM23 M3L A 72 9.480 5.637 11.694 1.00 0.00 H new HETATM 0 HM22 M3L A 72 9.754 6.431 10.125 1.00 0.00 H new HETATM 0 HM21 M3L A 72 8.376 6.918 11.141 1.00 0.00 H new HETATM 0 HM13 M3L A 72 6.672 3.621 10.612 1.00 0.00 H new HETATM 0 HM12 M3L A 72 7.803 3.974 11.940 1.00 0.00 H new HETATM 0 HM11 M3L A 72 6.531 5.146 11.520 1.00 0.00 H new HETATM 0 HG3 M3L A 72 8.667 4.468 7.309 1.00 0.00 H new HETATM 0 HG2 M3L A 72 7.855 3.048 6.682 1.00 0.00 H new HETATM 0 HE3 M3L A 72 9.344 3.397 10.621 1.00 0.00 H new HETATM 0 HE2 M3L A 72 9.880 4.321 9.232 1.00 0.00 H new HETATM 0 HD3 M3L A 72 7.170 3.032 8.957 1.00 0.00 H new HETATM 0 HD2 M3L A 72 8.535 1.934 9.004 1.00 0.00 H new HETATM 0 HB3 M3L A 72 10.084 1.762 7.253 1.00 0.00 H new HETATM 0 HB2 M3L A 72 10.809 3.352 7.381 1.00 0.00 H new HETATM 0 HA M3L A 72 9.440 3.821 5.041 1.00 0.00 H new HETATM 0 H M3L A 72 8.781 1.104 5.466 1.00 0.00 H new ATOM 1189 N LYS A 73 11.878 1.982 4.379 1.00 0.00 N ATOM 1190 CA LYS A 73 13.204 1.982 3.785 1.00 0.00 C ATOM 1191 C LYS A 73 13.084 2.233 2.281 1.00 0.00 C ATOM 1192 O LYS A 73 13.494 3.283 1.788 1.00 0.00 O ATOM 1193 CB LYS A 73 13.949 0.693 4.137 1.00 0.00 C ATOM 1194 CG LYS A 73 15.314 0.643 3.448 1.00 0.00 C ATOM 1195 CD LYS A 73 15.361 -0.475 2.404 1.00 0.00 C ATOM 1196 CE LYS A 73 15.889 0.046 1.066 1.00 0.00 C ATOM 1197 NZ LYS A 73 15.772 -0.996 0.021 1.00 0.00 N ATOM 0 H LYS A 73 11.383 1.092 4.318 1.00 0.00 H new ATOM 0 HA LYS A 73 13.806 2.792 4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.080 0.628 5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.354 -0.169 3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.519 1.601 2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.095 0.484 4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.999 -1.284 2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.363 -0.892 2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.329 0.933 0.768 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.931 0.347 1.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.135 -0.626 -0.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.325 -1.831 0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.773 -1.264 -0.092 1.00 0.00 H new ATOM 1211 N TYR A 74 12.522 1.250 1.592 1.00 0.00 N ATOM 1212 CA TYR A 74 12.344 1.351 0.154 1.00 0.00 C ATOM 1213 C TYR A 74 11.865 2.749 -0.243 1.00 0.00 C ATOM 1214 O TYR A 74 12.300 3.294 -1.256 1.00 0.00 O ATOM 1215 CB TYR A 74 11.261 0.333 -0.209 1.00 0.00 C ATOM 1216 CG TYR A 74 11.144 0.057 -1.709 1.00 0.00 C ATOM 1217 CD1 TYR A 74 12.199 -0.515 -2.390 1.00 0.00 C ATOM 1218 CD2 TYR A 74 9.982 0.380 -2.382 1.00 0.00 C ATOM 1219 CE1 TYR A 74 12.088 -0.774 -3.802 1.00 0.00 C ATOM 1220 CE2 TYR A 74 9.872 0.121 -3.794 1.00 0.00 C ATOM 1221 CZ TYR A 74 10.931 -0.444 -4.434 1.00 0.00 C ATOM 1222 OH TYR A 74 10.826 -0.689 -5.768 1.00 0.00 O ATOM 0 H TYR A 74 12.184 0.380 2.004 1.00 0.00 H new ATOM 0 HA TYR A 74 13.285 1.164 -0.363 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.470 -0.604 0.307 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.300 0.693 0.160 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.108 -0.768 -1.864 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.156 0.827 -1.849 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.906 -1.221 -4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.969 0.370 -4.333 1.00 0.00 H new ATOM 0 HH TYR A 74 11.374 -1.467 -6.002 1.00 0.00 H new ATOM 1232 N ILE A 75 10.976 3.290 0.577 1.00 0.00 N ATOM 1233 CA ILE A 75 10.434 4.615 0.325 1.00 0.00 C ATOM 1234 C ILE A 75 10.921 5.576 1.411 1.00 0.00 C ATOM 1235 O ILE A 75 10.330 5.654 2.487 1.00 0.00 O ATOM 1236 CB ILE A 75 8.911 4.554 0.195 1.00 0.00 C ATOM 1237 CG1 ILE A 75 8.488 3.469 -0.797 1.00 0.00 C ATOM 1238 CG2 ILE A 75 8.338 5.924 -0.175 1.00 0.00 C ATOM 1239 CD1 ILE A 75 8.928 3.823 -2.218 1.00 0.00 C ATOM 0 H ILE A 75 10.617 2.835 1.417 1.00 0.00 H new ATOM 0 HA ILE A 75 10.797 5.001 -0.628 1.00 0.00 H new ATOM 0 HB ILE A 75 8.496 4.282 1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.925 2.514 -0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.405 3.347 -0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.254 5.854 -0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.594 6.647 0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.757 6.249 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.615 3.035 -2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.470 4.766 -2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.013 3.920 -2.249 1.00 0.00 H new ATOM 1251 N PRO A 76 12.023 6.303 1.083 1.00 0.00 N ATOM 1252 CA PRO A 76 12.596 7.256 2.019 1.00 0.00 C ATOM 1253 C PRO A 76 11.743 8.523 2.102 1.00 0.00 C ATOM 1254 O PRO A 76 11.953 9.468 1.344 1.00 0.00 O ATOM 1255 CB PRO A 76 14.001 7.519 1.501 1.00 0.00 C ATOM 1256 CG PRO A 76 14.001 7.068 0.049 1.00 0.00 C ATOM 1257 CD PRO A 76 12.750 6.237 -0.181 1.00 0.00 C ATOM 0 HA PRO A 76 12.626 6.877 3.040 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.256 8.576 1.582 1.00 0.00 H new ATOM 0 HB3 PRO A 76 14.741 6.968 2.081 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.015 7.930 -0.618 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.894 6.482 -0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.154 6.637 -1.002 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.000 5.208 -0.441 1.00 0.00 H new ATOM 1265 N GLY A 77 10.798 8.501 3.031 1.00 0.00 N ATOM 1266 CA GLY A 77 9.912 9.637 3.224 1.00 0.00 C ATOM 1267 C GLY A 77 8.448 9.222 3.068 1.00 0.00 C ATOM 1268 O GLY A 77 7.645 9.966 2.508 1.00 0.00 O ATOM 0 H GLY A 77 10.627 7.715 3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.070 10.062 4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.152 10.417 2.501 1.00 0.00 H new ATOM 1272 N THR A 78 8.145 8.035 3.574 1.00 0.00 N ATOM 1273 CA THR A 78 6.791 7.513 3.498 1.00 0.00 C ATOM 1274 C THR A 78 6.111 7.593 4.866 1.00 0.00 C ATOM 1275 O THR A 78 6.534 6.932 5.813 1.00 0.00 O ATOM 1276 CB THR A 78 6.864 6.091 2.939 1.00 0.00 C ATOM 1277 OG1 THR A 78 5.578 5.878 2.363 1.00 0.00 O ATOM 1278 CG2 THR A 78 6.960 5.032 4.040 1.00 0.00 C ATOM 0 H THR A 78 8.814 7.420 4.038 1.00 0.00 H new ATOM 0 HA THR A 78 6.174 8.111 2.827 1.00 0.00 H new ATOM 0 HB THR A 78 7.726 6.005 2.278 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.538 4.979 1.975 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.009 4.041 3.588 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.857 5.205 4.634 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.082 5.095 4.683 1.00 0.00 H new ATOM 1286 N LYS A 79 5.069 8.409 4.926 1.00 0.00 N ATOM 1287 CA LYS A 79 4.326 8.585 6.162 1.00 0.00 C ATOM 1288 C LYS A 79 3.781 7.231 6.622 1.00 0.00 C ATOM 1289 O LYS A 79 3.408 7.070 7.782 1.00 0.00 O ATOM 1290 CB LYS A 79 3.247 9.656 5.991 1.00 0.00 C ATOM 1291 CG LYS A 79 3.601 10.921 6.776 1.00 0.00 C ATOM 1292 CD LYS A 79 2.549 12.012 6.562 1.00 0.00 C ATOM 1293 CE LYS A 79 1.361 11.820 7.507 1.00 0.00 C ATOM 1294 NZ LYS A 79 1.754 12.126 8.901 1.00 0.00 N ATOM 0 H LYS A 79 4.722 8.956 4.138 1.00 0.00 H new ATOM 0 HA LYS A 79 4.982 8.950 6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.135 9.899 4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.287 9.268 6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.675 10.686 7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.578 11.287 6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.997 12.992 6.729 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.203 11.991 5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.539 12.468 7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.999 10.794 7.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.908 12.373 9.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.212 11.293 9.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.418 12.927 8.907 1.00 0.00 H new ATOM 1308 N MET A 80 3.753 6.293 5.687 1.00 0.00 N ATOM 1309 CA MET A 80 3.260 4.958 5.981 1.00 0.00 C ATOM 1310 C MET A 80 4.053 4.320 7.124 1.00 0.00 C ATOM 1311 O MET A 80 5.074 3.674 6.890 1.00 0.00 O ATOM 1312 CB MET A 80 3.374 4.084 4.730 1.00 0.00 C ATOM 1313 CG MET A 80 2.902 2.657 5.014 1.00 0.00 C ATOM 1314 SD MET A 80 2.463 1.844 3.487 1.00 0.00 S ATOM 1315 CE MET A 80 2.227 0.177 4.079 1.00 0.00 C ATOM 0 H MET A 80 4.064 6.431 4.725 1.00 0.00 H new ATOM 0 HA MET A 80 2.217 5.036 6.287 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.778 4.515 3.925 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.408 4.067 4.387 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.690 2.098 5.520 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.044 2.676 5.685 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.761 -0.424 3.298 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.192 -0.255 4.343 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.583 0.191 4.958 1.00 0.00 H new ATOM 1325 N ALA A 81 3.554 4.524 8.334 1.00 0.00 N ATOM 1326 CA ALA A 81 4.203 3.977 9.513 1.00 0.00 C ATOM 1327 C ALA A 81 3.733 2.537 9.727 1.00 0.00 C ATOM 1328 O ALA A 81 2.800 2.292 10.490 1.00 0.00 O ATOM 1329 CB ALA A 81 3.910 4.871 10.719 1.00 0.00 C ATOM 0 H ALA A 81 2.708 5.061 8.523 1.00 0.00 H new ATOM 0 HA ALA A 81 5.285 3.954 9.379 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.397 4.460 11.603 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.290 5.875 10.529 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.834 4.916 10.886 1.00 0.00 H new ATOM 1335 N PHE A 82 4.400 1.621 9.040 1.00 0.00 N ATOM 1336 CA PHE A 82 4.062 0.212 9.145 1.00 0.00 C ATOM 1337 C PHE A 82 5.258 -0.603 9.639 1.00 0.00 C ATOM 1338 O PHE A 82 6.369 -0.452 9.133 1.00 0.00 O ATOM 1339 CB PHE A 82 3.681 -0.263 7.742 1.00 0.00 C ATOM 1340 CG PHE A 82 3.078 -1.668 7.703 1.00 0.00 C ATOM 1341 CD1 PHE A 82 1.933 -1.936 8.386 1.00 0.00 C ATOM 1342 CD2 PHE A 82 3.686 -2.649 6.984 1.00 0.00 C ATOM 1343 CE1 PHE A 82 1.373 -3.241 8.350 1.00 0.00 C ATOM 1344 CE2 PHE A 82 3.126 -3.954 6.947 1.00 0.00 C ATOM 1345 CZ PHE A 82 1.981 -4.222 7.631 1.00 0.00 C ATOM 0 H PHE A 82 5.173 1.828 8.408 1.00 0.00 H new ATOM 0 HA PHE A 82 3.246 0.077 9.855 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.967 0.440 7.313 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.568 -0.242 7.109 1.00 0.00 H new ATOM 0 HD1 PHE A 82 1.449 -1.156 8.956 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.595 -2.436 6.441 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.464 -3.454 8.894 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.609 -4.733 6.376 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.555 -5.214 7.603 1.00 0.00 H new ATOM 1355 N GLY A 83 4.991 -1.451 10.622 1.00 0.00 N ATOM 1356 CA GLY A 83 6.031 -2.291 11.190 1.00 0.00 C ATOM 1357 C GLY A 83 6.744 -3.093 10.100 1.00 0.00 C ATOM 1358 O GLY A 83 7.969 -3.047 9.991 1.00 0.00 O ATOM 0 H GLY A 83 4.069 -1.574 11.039 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.753 -1.672 11.722 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.595 -2.972 11.921 1.00 0.00 H new ATOM 1362 N GLY A 84 5.948 -3.810 9.321 1.00 0.00 N ATOM 1363 CA GLY A 84 6.488 -4.622 8.243 1.00 0.00 C ATOM 1364 C GLY A 84 6.214 -6.107 8.486 1.00 0.00 C ATOM 1365 O GLY A 84 6.672 -6.673 9.477 1.00 0.00 O ATOM 0 H GLY A 84 4.933 -3.846 9.415 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.044 -4.317 7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.562 -4.455 8.160 1.00 0.00 H new ATOM 1369 N LEU A 85 5.467 -6.697 7.563 1.00 0.00 N ATOM 1370 CA LEU A 85 5.127 -8.106 7.664 1.00 0.00 C ATOM 1371 C LEU A 85 6.409 -8.940 7.627 1.00 0.00 C ATOM 1372 O LEU A 85 7.469 -8.438 7.256 1.00 0.00 O ATOM 1373 CB LEU A 85 4.112 -8.490 6.586 1.00 0.00 C ATOM 1374 CG LEU A 85 2.790 -7.720 6.604 1.00 0.00 C ATOM 1375 CD1 LEU A 85 1.952 -8.039 5.364 1.00 0.00 C ATOM 1376 CD2 LEU A 85 2.019 -7.984 7.900 1.00 0.00 C ATOM 0 H LEU A 85 5.088 -6.225 6.742 1.00 0.00 H new ATOM 0 HA LEU A 85 4.640 -8.313 8.617 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.578 -8.350 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.892 -9.553 6.685 1.00 0.00 H new ATOM 0 HG LEU A 85 3.016 -6.654 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.018 -7.479 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.507 -7.759 4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.734 -9.107 5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.083 -7.425 7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.804 -9.049 7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.620 -7.666 8.752 1.00 0.00 H new ATOM 1388 N LYS A 86 6.270 -10.198 8.016 1.00 0.00 N ATOM 1389 CA LYS A 86 7.404 -11.107 8.032 1.00 0.00 C ATOM 1390 C LYS A 86 6.978 -12.457 7.453 1.00 0.00 C ATOM 1391 O LYS A 86 7.609 -12.966 6.528 1.00 0.00 O ATOM 1392 CB LYS A 86 7.996 -11.201 9.440 1.00 0.00 C ATOM 1393 CG LYS A 86 9.523 -11.115 9.400 1.00 0.00 C ATOM 1394 CD LYS A 86 10.149 -12.509 9.328 1.00 0.00 C ATOM 1395 CE LYS A 86 11.032 -12.777 10.548 1.00 0.00 C ATOM 1396 NZ LYS A 86 10.202 -12.943 11.762 1.00 0.00 N ATOM 0 H LYS A 86 5.389 -10.610 8.323 1.00 0.00 H new ATOM 0 HA LYS A 86 8.206 -10.727 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.599 -10.397 10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.693 -12.140 9.904 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.835 -10.527 8.537 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.885 -10.595 10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.363 -13.262 9.271 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.743 -12.598 8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.628 -13.674 10.383 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.730 -11.952 10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.817 -13.124 12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.652 -12.076 11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.553 -13.745 11.632 1.00 0.00 H new ATOM 1410 N LYS A 87 5.911 -12.999 8.020 1.00 0.00 N ATOM 1411 CA LYS A 87 5.393 -14.280 7.572 1.00 0.00 C ATOM 1412 C LYS A 87 5.105 -14.211 6.071 1.00 0.00 C ATOM 1413 O LYS A 87 4.059 -13.712 5.658 1.00 0.00 O ATOM 1414 CB LYS A 87 4.184 -14.694 8.412 1.00 0.00 C ATOM 1415 CG LYS A 87 4.624 -15.279 9.756 1.00 0.00 C ATOM 1416 CD LYS A 87 5.160 -16.702 9.584 1.00 0.00 C ATOM 1417 CE LYS A 87 4.016 -17.701 9.405 1.00 0.00 C ATOM 1418 NZ LYS A 87 4.309 -18.959 10.127 1.00 0.00 N ATOM 0 H LYS A 87 5.390 -12.574 8.787 1.00 0.00 H new ATOM 0 HA LYS A 87 6.136 -15.064 7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.541 -13.830 8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.593 -15.430 7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.395 -14.647 10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.782 -15.285 10.448 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.822 -16.743 8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.755 -16.978 10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.087 -17.269 9.777 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.869 -17.909 8.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.522 -19.626 9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.185 -19.378 9.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.426 -18.758 11.141 1.00 0.00 H new ATOM 1432 N GLU A 88 6.050 -14.721 5.295 1.00 0.00 N ATOM 1433 CA GLU A 88 5.910 -14.723 3.849 1.00 0.00 C ATOM 1434 C GLU A 88 4.454 -14.982 3.456 1.00 0.00 C ATOM 1435 O GLU A 88 3.811 -14.129 2.847 1.00 0.00 O ATOM 1436 CB GLU A 88 6.842 -15.755 3.210 1.00 0.00 C ATOM 1437 CG GLU A 88 7.109 -16.919 4.166 1.00 0.00 C ATOM 1438 CD GLU A 88 7.145 -18.251 3.412 1.00 0.00 C ATOM 1439 OE1 GLU A 88 7.560 -18.224 2.233 1.00 0.00 O ATOM 1440 OE2 GLU A 88 6.757 -19.264 4.032 1.00 0.00 O ATOM 0 H GLU A 88 6.916 -15.136 5.640 1.00 0.00 H new ATOM 0 HA GLU A 88 6.197 -13.740 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.397 -16.131 2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.784 -15.280 2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.057 -16.762 4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.333 -16.951 4.931 1.00 0.00 H new ATOM 1447 N LYS A 89 3.978 -16.163 3.822 1.00 0.00 N ATOM 1448 CA LYS A 89 2.610 -16.545 3.515 1.00 0.00 C ATOM 1449 C LYS A 89 1.676 -15.372 3.823 1.00 0.00 C ATOM 1450 O LYS A 89 0.936 -14.919 2.951 1.00 0.00 O ATOM 1451 CB LYS A 89 2.237 -17.836 4.248 1.00 0.00 C ATOM 1452 CG LYS A 89 3.353 -18.876 4.128 1.00 0.00 C ATOM 1453 CD LYS A 89 2.795 -20.230 3.684 1.00 0.00 C ATOM 1454 CE LYS A 89 3.834 -21.337 3.866 1.00 0.00 C ATOM 1455 NZ LYS A 89 3.184 -22.592 4.305 1.00 0.00 N ATOM 0 H LYS A 89 4.515 -16.868 4.328 1.00 0.00 H new ATOM 0 HA LYS A 89 2.506 -16.766 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.048 -17.620 5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.313 -18.239 3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.099 -18.533 3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.859 -18.984 5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.902 -20.466 4.262 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.493 -20.178 2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.364 -21.504 2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.577 -21.029 4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 3.904 -23.333 4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.698 -22.433 5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.492 -22.893 3.589 1.00 0.00 H new ATOM 1469 N ASP A 90 1.742 -14.915 5.064 1.00 0.00 N ATOM 1470 CA ASP A 90 0.912 -13.804 5.497 1.00 0.00 C ATOM 1471 C ASP A 90 0.936 -12.708 4.430 1.00 0.00 C ATOM 1472 O ASP A 90 -0.052 -12.001 4.238 1.00 0.00 O ATOM 1473 CB ASP A 90 1.435 -13.202 6.804 1.00 0.00 C ATOM 1474 CG ASP A 90 0.359 -12.620 7.723 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -0.709 -13.261 7.823 1.00 0.00 O ATOM 1476 OD2 ASP A 90 0.630 -11.548 8.306 1.00 0.00 O ATOM 0 H ASP A 90 2.357 -15.294 5.784 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.099 -14.180 5.652 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.979 -13.973 7.349 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.151 -12.416 6.564 1.00 0.00 H new ATOM 1481 N ARG A 91 2.076 -12.602 3.762 1.00 0.00 N ATOM 1482 CA ARG A 91 2.242 -11.605 2.718 1.00 0.00 C ATOM 1483 C ARG A 91 1.587 -12.081 1.420 1.00 0.00 C ATOM 1484 O ARG A 91 0.983 -11.289 0.698 1.00 0.00 O ATOM 1485 CB ARG A 91 3.722 -11.319 2.459 1.00 0.00 C ATOM 1486 CG ARG A 91 4.534 -11.416 3.753 1.00 0.00 C ATOM 1487 CD ARG A 91 5.855 -10.655 3.630 1.00 0.00 C ATOM 1488 NE ARG A 91 6.666 -11.224 2.530 1.00 0.00 N ATOM 1489 CZ ARG A 91 7.998 -11.110 2.443 1.00 0.00 C ATOM 1490 NH1 ARG A 91 8.678 -10.448 3.389 1.00 0.00 N ATOM 1491 NH2 ARG A 91 8.652 -11.659 1.410 1.00 0.00 N ATOM 0 H ARG A 91 2.893 -13.190 3.924 1.00 0.00 H new ATOM 0 HA ARG A 91 1.761 -10.688 3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.110 -12.028 1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.834 -10.324 2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.953 -11.012 4.582 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.733 -12.462 3.984 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.660 -9.599 3.441 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.407 -10.714 4.568 1.00 0.00 H new ATOM 0 HE ARG A 91 6.180 -11.735 1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.181 -10.030 4.176 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.692 -10.362 3.322 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.136 -12.164 0.690 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.666 -11.572 1.344 1.00 0.00 H new ATOM 1505 N ASN A 92 1.728 -13.373 1.163 1.00 0.00 N ATOM 1506 CA ASN A 92 1.157 -13.965 -0.036 1.00 0.00 C ATOM 1507 C ASN A 92 -0.368 -13.973 0.082 1.00 0.00 C ATOM 1508 O ASN A 92 -1.072 -13.816 -0.915 1.00 0.00 O ATOM 1509 CB ASN A 92 1.626 -15.410 -0.213 1.00 0.00 C ATOM 1510 CG ASN A 92 3.154 -15.493 -0.230 1.00 0.00 C ATOM 1511 OD1 ASN A 92 3.857 -14.502 -0.117 1.00 0.00 O ATOM 1512 ND2 ASN A 92 3.627 -16.727 -0.377 1.00 0.00 N ATOM 0 H ASN A 92 2.229 -14.027 1.764 1.00 0.00 H new ATOM 0 HA ASN A 92 1.481 -13.374 -0.892 1.00 0.00 H new ATOM 0 HB2 ASN A 92 1.234 -16.025 0.597 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.226 -15.815 -1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.634 -16.888 -0.401 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.983 -17.513 -0.466 1.00 0.00 H new ATOM 1519 N ASP A 93 -0.834 -14.159 1.308 1.00 0.00 N ATOM 1520 CA ASP A 93 -2.263 -14.190 1.568 1.00 0.00 C ATOM 1521 C ASP A 93 -2.845 -12.789 1.365 1.00 0.00 C ATOM 1522 O ASP A 93 -3.892 -12.633 0.739 1.00 0.00 O ATOM 1523 CB ASP A 93 -2.551 -14.617 3.009 1.00 0.00 C ATOM 1524 CG ASP A 93 -2.105 -16.037 3.364 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -2.778 -16.978 2.892 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -1.101 -16.149 4.100 1.00 0.00 O ATOM 0 H ASP A 93 -0.247 -14.290 2.132 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.715 -14.906 0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.058 -13.918 3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.623 -14.533 3.190 1.00 0.00 H new ATOM 1531 N LEU A 94 -2.141 -11.806 1.906 1.00 0.00 N ATOM 1532 CA LEU A 94 -2.574 -10.424 1.792 1.00 0.00 C ATOM 1533 C LEU A 94 -2.722 -10.061 0.313 1.00 0.00 C ATOM 1534 O LEU A 94 -3.831 -9.826 -0.164 1.00 0.00 O ATOM 1535 CB LEU A 94 -1.627 -9.500 2.561 1.00 0.00 C ATOM 1536 CG LEU A 94 -2.247 -8.216 3.116 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -3.589 -8.503 3.792 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -1.274 -7.499 4.054 1.00 0.00 C ATOM 0 H LEU A 94 -1.273 -11.939 2.425 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.553 -10.292 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.198 -10.061 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.803 -9.227 1.902 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.445 -7.543 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.008 -7.574 4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.276 -8.937 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.440 -9.203 4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.739 -6.590 4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.023 -8.155 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.366 -7.241 3.509 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.588 -10.027 -0.371 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.577 -9.697 -1.786 1.00 0.00 C ATOM 1552 C ILE A 95 -2.763 -10.377 -2.473 1.00 0.00 C ATOM 1553 O ILE A 95 -3.533 -9.726 -3.178 1.00 0.00 O ATOM 1554 CB ILE A 95 -0.224 -10.046 -2.407 1.00 0.00 C ATOM 1555 CG1 ILE A 95 0.900 -9.228 -1.768 1.00 0.00 C ATOM 1556 CG2 ILE A 95 -0.259 -9.880 -3.928 1.00 0.00 C ATOM 1557 CD1 ILE A 95 2.143 -10.090 -1.537 1.00 0.00 C ATOM 0 H ILE A 95 -0.670 -10.223 0.028 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.699 -8.623 -1.928 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.015 -11.096 -2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.152 -8.385 -2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.559 -8.814 -0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.716 -10.135 -4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.017 -10.541 -4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.501 -8.846 -4.176 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.927 -9.484 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 95 1.893 -10.918 -0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.496 -10.483 -2.491 1.00 0.00 H new ATOM 1569 N THR A 96 -2.873 -11.677 -2.243 1.00 0.00 N ATOM 1570 CA THR A 96 -3.952 -12.452 -2.832 1.00 0.00 C ATOM 1571 C THR A 96 -5.291 -11.738 -2.635 1.00 0.00 C ATOM 1572 O THR A 96 -6.033 -11.528 -3.593 1.00 0.00 O ATOM 1573 CB THR A 96 -3.915 -13.854 -2.219 1.00 0.00 C ATOM 1574 OG1 THR A 96 -3.447 -14.684 -3.279 1.00 0.00 O ATOM 1575 CG2 THR A 96 -5.313 -14.396 -1.912 1.00 0.00 C ATOM 0 H THR A 96 -2.233 -12.213 -1.657 1.00 0.00 H new ATOM 0 HA THR A 96 -3.827 -12.549 -3.910 1.00 0.00 H new ATOM 0 HB THR A 96 -3.324 -13.834 -1.303 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.546 -14.402 -3.542 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.230 -15.393 -1.479 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.813 -13.734 -1.205 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.893 -14.448 -2.833 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.558 -11.385 -1.386 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.795 -10.699 -1.052 1.00 0.00 C ATOM 1585 C TYR A 97 -6.783 -9.261 -1.574 1.00 0.00 C ATOM 1586 O TYR A 97 -7.786 -8.778 -2.096 1.00 0.00 O ATOM 1587 CB TYR A 97 -6.862 -10.672 0.477 1.00 0.00 C ATOM 1588 CG TYR A 97 -7.950 -9.754 1.036 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -9.260 -10.187 1.087 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -7.623 -8.493 1.490 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -10.284 -9.323 1.613 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -8.647 -7.628 2.016 1.00 0.00 C ATOM 1593 CZ TYR A 97 -9.927 -8.086 2.052 1.00 0.00 C ATOM 1594 OH TYR A 97 -10.895 -7.270 2.549 1.00 0.00 O ATOM 0 H TYR A 97 -4.940 -11.561 -0.594 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.649 -11.208 -1.500 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.034 -11.685 0.841 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.896 -10.353 0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -9.516 -11.174 0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.598 -8.154 1.451 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -11.312 -9.649 1.658 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -8.404 -6.638 2.374 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.495 -6.419 2.826 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.635 -8.617 -1.417 1.00 0.00 N ATOM 1605 CA LEU A 98 -5.479 -7.244 -1.866 1.00 0.00 C ATOM 1606 C LEU A 98 -5.835 -7.155 -3.351 1.00 0.00 C ATOM 1607 O LEU A 98 -6.661 -6.335 -3.747 1.00 0.00 O ATOM 1608 CB LEU A 98 -4.077 -6.729 -1.538 1.00 0.00 C ATOM 1609 CG LEU A 98 -4.011 -5.424 -0.742 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -2.959 -5.510 0.366 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -3.771 -4.229 -1.668 1.00 0.00 C ATOM 0 H LEU A 98 -4.804 -9.021 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.167 -6.588 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.550 -7.501 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.535 -6.589 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.976 -5.269 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.933 -4.570 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.213 -6.322 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.981 -5.700 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.728 -3.314 -1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.828 -4.363 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.586 -4.158 -2.389 1.00 0.00 H new ATOM 1623 N LYS A 99 -5.193 -8.011 -4.133 1.00 0.00 N ATOM 1624 CA LYS A 99 -5.432 -8.039 -5.566 1.00 0.00 C ATOM 1625 C LYS A 99 -6.934 -8.167 -5.827 1.00 0.00 C ATOM 1626 O LYS A 99 -7.452 -7.600 -6.787 1.00 0.00 O ATOM 1627 CB LYS A 99 -4.598 -9.138 -6.227 1.00 0.00 C ATOM 1628 CG LYS A 99 -4.825 -9.165 -7.740 1.00 0.00 C ATOM 1629 CD LYS A 99 -4.851 -10.602 -8.265 1.00 0.00 C ATOM 1630 CE LYS A 99 -3.433 -11.128 -8.493 1.00 0.00 C ATOM 1631 NZ LYS A 99 -2.863 -11.647 -7.230 1.00 0.00 N ATOM 0 H LYS A 99 -4.508 -8.690 -3.801 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.107 -7.105 -6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.541 -8.973 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.861 -10.106 -5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.766 -8.670 -7.979 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.034 -8.606 -8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.371 -11.244 -7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.412 -10.642 -9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.448 -11.918 -9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.801 -10.330 -8.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.994 -12.180 -7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.641 -10.852 -6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.553 -12.274 -6.770 1.00 0.00 H new ATOM 1645 N LYS A 100 -7.592 -8.916 -4.954 1.00 0.00 N ATOM 1646 CA LYS A 100 -9.024 -9.126 -5.077 1.00 0.00 C ATOM 1647 C LYS A 100 -9.760 -7.855 -4.648 1.00 0.00 C ATOM 1648 O LYS A 100 -10.467 -7.243 -5.447 1.00 0.00 O ATOM 1649 CB LYS A 100 -9.452 -10.375 -4.304 1.00 0.00 C ATOM 1650 CG LYS A 100 -10.916 -10.718 -4.583 1.00 0.00 C ATOM 1651 CD LYS A 100 -11.424 -11.785 -3.611 1.00 0.00 C ATOM 1652 CE LYS A 100 -12.637 -12.519 -4.187 1.00 0.00 C ATOM 1653 NZ LYS A 100 -13.778 -11.590 -4.345 1.00 0.00 N ATOM 0 H LYS A 100 -7.159 -9.385 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.293 -9.316 -6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.818 -11.216 -4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.310 -10.212 -3.236 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.527 -9.820 -4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.021 -11.075 -5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.628 -12.500 -3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.693 -11.320 -2.663 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.380 -12.956 -5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.918 -13.341 -3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.621 -12.123 -4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -13.967 -11.116 -3.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -13.548 -10.878 -5.067 1.00 0.00 H new ATOM 1667 N ALA A 101 -9.569 -7.496 -3.387 1.00 0.00 N ATOM 1668 CA ALA A 101 -10.205 -6.309 -2.842 1.00 0.00 C ATOM 1669 C ALA A 101 -10.000 -5.138 -3.805 1.00 0.00 C ATOM 1670 O ALA A 101 -10.947 -4.420 -4.125 1.00 0.00 O ATOM 1671 CB ALA A 101 -9.644 -6.023 -1.448 1.00 0.00 C ATOM 0 H ALA A 101 -8.983 -8.007 -2.727 1.00 0.00 H new ATOM 0 HA ALA A 101 -11.279 -6.464 -2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.121 -5.132 -1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.842 -6.873 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.568 -5.860 -1.515 1.00 0.00 H new ATOM 1677 N SER A 102 -8.758 -4.980 -4.238 1.00 0.00 N ATOM 1678 CA SER A 102 -8.417 -3.908 -5.158 1.00 0.00 C ATOM 1679 C SER A 102 -9.168 -4.092 -6.478 1.00 0.00 C ATOM 1680 O SER A 102 -9.417 -3.124 -7.195 1.00 0.00 O ATOM 1681 CB SER A 102 -6.908 -3.857 -5.408 1.00 0.00 C ATOM 1682 OG SER A 102 -6.387 -5.126 -5.792 1.00 0.00 O ATOM 0 H SER A 102 -7.975 -5.576 -3.969 1.00 0.00 H new ATOM 0 HA SER A 102 -8.716 -2.962 -4.707 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.694 -3.126 -6.188 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.402 -3.516 -4.505 1.00 0.00 H new ATOM 0 HG SER A 102 -6.331 -5.708 -5.006 1.00 0.00 H new ATOM 1688 N GLU A 103 -9.508 -5.342 -6.759 1.00 0.00 N ATOM 1689 CA GLU A 103 -10.226 -5.665 -7.981 1.00 0.00 C ATOM 1690 C GLU A 103 -9.700 -4.822 -9.144 1.00 0.00 C ATOM 1691 O GLU A 103 -8.493 -4.757 -9.373 1.00 0.00 O ATOM 1692 CB GLU A 103 -11.732 -5.471 -7.799 1.00 0.00 C ATOM 1693 CG GLU A 103 -12.074 -3.993 -7.596 1.00 0.00 C ATOM 1694 CD GLU A 103 -13.585 -3.793 -7.460 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -14.235 -4.725 -6.938 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -14.055 -2.714 -7.879 1.00 0.00 O ATOM 0 H GLU A 103 -9.300 -6.142 -6.162 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.054 -6.716 -8.214 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -12.260 -5.853 -8.673 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.076 -6.049 -6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.572 -3.619 -6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.701 -3.411 -8.439 1.00 0.00 H new TER 1703 GLU A 103 HETATM 1704 FE HEC A 104 -0.108 1.925 3.488 1.00 0.00 FE HETATM 1705 CHA HEC A 104 1.155 4.108 1.104 1.00 0.00 C HETATM 1706 CHB HEC A 104 -0.653 -0.306 0.910 1.00 0.00 C HETATM 1707 CHC HEC A 104 -0.839 -0.349 5.729 1.00 0.00 C HETATM 1708 CHD HEC A 104 -0.130 4.343 5.685 1.00 0.00 C HETATM 1709 NA HEC A 104 0.195 1.948 1.450 1.00 0.00 N HETATM 1710 C1A HEC A 104 0.703 2.884 0.633 1.00 0.00 C HETATM 1711 C2A HEC A 104 1.019 2.348 -0.713 1.00 0.00 C HETATM 1712 C3A HEC A 104 0.479 1.130 -0.736 1.00 0.00 C HETATM 1713 C4A HEC A 104 -0.006 0.803 0.531 1.00 0.00 C HETATM 1714 CMA HEC A 104 0.511 0.137 -1.960 1.00 0.00 C HETATM 1715 CAA HEC A 104 1.602 3.214 -1.793 1.00 0.00 C HETATM 1716 CBA HEC A 104 0.680 4.458 -2.005 1.00 0.00 C HETATM 1717 CGA HEC A 104 1.325 5.836 -1.982 1.00 0.00 C HETATM 1718 O1A HEC A 104 2.462 5.861 -2.465 1.00 0.00 O HETATM 1719 O2A HEC A 104 0.706 6.819 -1.521 1.00 0.00 O HETATM 1720 NB HEC A 104 -0.657 0.016 3.343 1.00 0.00 N HETATM 1721 C1B HEC A 104 -1.036 -0.668 2.195 1.00 0.00 C HETATM 1722 C2B HEC A 104 -1.468 -1.986 2.649 1.00 0.00 C HETATM 1723 C3B HEC A 104 -1.469 -2.056 4.004 1.00 0.00 C HETATM 1724 C4B HEC A 104 -1.004 -0.751 4.390 1.00 0.00 C HETATM 1725 CMB HEC A 104 -2.003 -3.064 1.637 1.00 0.00 C HETATM 1726 CAB HEC A 104 -1.903 -3.140 4.955 1.00 0.00 C HETATM 1727 CBB HEC A 104 -1.084 -4.437 4.848 1.00 0.00 C HETATM 1728 NC HEC A 104 -0.420 2.031 5.359 1.00 0.00 N HETATM 1729 C1C HEC A 104 -0.708 1.019 6.223 1.00 0.00 C HETATM 1730 C2C HEC A 104 -0.979 1.363 7.563 1.00 0.00 C HETATM 1731 C3C HEC A 104 -0.731 2.689 7.564 1.00 0.00 C HETATM 1732 C4C HEC A 104 -0.472 3.124 6.192 1.00 0.00 C HETATM 1733 CMC HEC A 104 -1.335 0.479 8.719 1.00 0.00 C HETATM 1734 CAC HEC A 104 -1.006 3.780 8.645 1.00 0.00 C HETATM 1735 CBC HEC A 104 -0.288 3.464 9.976 1.00 0.00 C HETATM 1736 ND HEC A 104 0.406 3.878 3.408 1.00 0.00 N HETATM 1737 C1D HEC A 104 0.324 4.751 4.486 1.00 0.00 C HETATM 1738 C2D HEC A 104 0.781 6.008 4.110 1.00 0.00 C HETATM 1739 C3D HEC A 104 1.177 5.941 2.828 1.00 0.00 C HETATM 1740 C4D HEC A 104 1.010 4.555 2.397 1.00 0.00 C HETATM 1741 CMD HEC A 104 0.908 7.285 5.060 1.00 0.00 C HETATM 1742 CAD HEC A 104 1.882 7.077 2.047 1.00 0.00 C HETATM 1743 CBD HEC A 104 1.052 8.338 1.970 1.00 0.00 C HETATM 1744 CGD HEC A 104 1.714 9.654 2.332 1.00 0.00 C HETATM 1745 O1D HEC A 104 2.840 9.890 1.818 1.00 0.00 O HETATM 1746 O2D HEC A 104 1.138 10.292 3.242 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -0.073 7.539 5.461 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 1.589 7.061 5.882 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 1.296 8.128 4.487 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.257 -0.058 8.496 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -0.531 -0.237 8.891 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -1.476 1.087 9.612 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.883 -2.676 1.123 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -1.228 -3.293 0.906 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -2.270 -3.971 2.179 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 0.018 0.598 -2.816 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 1.546 -0.091 -2.217 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.008 -0.784 -1.695 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 0.672 8.425 0.952 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 0.189 8.209 2.623 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.639 2.506 10.360 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.788 3.415 9.806 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -0.505 4.248 10.702 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -1.173 -4.842 3.840 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 -0.037 -4.225 5.062 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -1.461 -5.165 5.566 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 0.176 4.341 -2.964 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.091 4.437 -1.235 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 2.835 7.303 2.525 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 2.106 6.733 1.037 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 2.607 3.534 -1.517 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 1.691 2.649 -2.721 1.00 0.00 H new HETATM 0 HHD HEC A 104 -0.249 5.157 6.401 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.805 -1.142 6.476 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.910 -1.008 0.116 1.00 0.00 H new HETATM 0 HHA HEC A 104 1.663 4.764 0.397 1.00 0.00 H new HETATM 0 H2D HEC A 104 1.703 11.041 3.524 1.00 0.00 H new HETATM 0 H2A HEC A 104 0.293 7.319 -2.256 1.00 0.00 H new