USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 747 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 95 TYR OH : rot -59:sc= 1.25 USER MOD Set 1.2: A 99 GLN : amide:sc= 1.07 K(o=2.3,f=0.35) USER MOD Set 2.1: A 47 SER OG : rot 150:sc= 1.36 USER MOD Set 2.2: A 50 MET CE :methyl 157:sc= -0.0465 (180deg=-0.349) USER MOD Set 2.3: A 76 THR OG1 : rot 44:sc= 0.916 USER MOD Set 2.4: A 101 HEC O2D : rot -139:sc= 0.88 USER MOD Set 3.1: A 46 TYR OH : rot -130:sc= 0.374 USER MOD Set 3.2: A 101 HEC O2A : rot 95:sc= 0.409 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 161:sc= 0.901 (180deg=0.658) USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= 0.0086 (180deg=0.00393) USER MOD Single : A 23 ASN : amide:sc= 0.698 K(o=0.7,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.0421 K(o=-0.042,f=-4.7) USER MOD Single : A 37 THR OG1 : rot -40:sc= 1.24 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0.098 K(o=0.098,f=-0.93) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.778 K(o=0.78,f=-6.8!) USER MOD Single : A 67 THR OG1 : rot 84:sc= 1.31 USER MOD Single : A 68 ASN : amide:sc= 0.196 K(o=0.2,f=-3.2!) USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= 0.544 (180deg=0.51) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.646 K(o=0.65,f=-3.5!) USER MOD Single : A 100 GLN : amide:sc= 0.888 K(o=0.89,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.880 -2.689 -2.114 1.00 0.00 N ATOM 2 CA MET A 1 2.962 -2.047 -1.128 1.00 0.00 C ATOM 3 C MET A 1 1.842 -1.121 -1.696 1.00 0.00 C ATOM 4 O MET A 1 0.854 -0.914 -0.993 1.00 0.00 O ATOM 5 CB MET A 1 3.790 -1.322 -0.028 1.00 0.00 C ATOM 6 CG MET A 1 4.472 -2.239 1.005 1.00 0.00 C ATOM 7 SD MET A 1 5.407 -1.232 2.172 1.00 0.00 S ATOM 8 CE MET A 1 5.933 -2.515 3.322 1.00 0.00 C ATOM 0 H1 MET A 1 4.575 -3.276 -1.610 1.00 0.00 H new ATOM 0 H2 MET A 1 3.329 -3.286 -2.764 1.00 0.00 H new ATOM 0 H3 MET A 1 4.376 -1.953 -2.656 1.00 0.00 H new ATOM 0 HA MET A 1 2.395 -2.878 -0.708 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.557 -0.719 -0.514 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.132 -0.634 0.502 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.724 -2.829 1.534 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.135 -2.943 0.502 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.529 -2.068 4.118 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.057 -2.999 3.753 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.532 -3.255 2.792 1.00 0.00 H new ATOM 19 N ALA A 2 1.970 -0.546 -2.902 1.00 0.00 N ATOM 20 CA ALA A 2 0.955 0.386 -3.473 1.00 0.00 C ATOM 21 C ALA A 2 0.415 -0.081 -4.863 1.00 0.00 C ATOM 22 O ALA A 2 0.749 0.485 -5.909 1.00 0.00 O ATOM 23 CB ALA A 2 1.601 1.788 -3.483 1.00 0.00 C ATOM 0 H ALA A 2 2.770 -0.705 -3.514 1.00 0.00 H new ATOM 0 HA ALA A 2 0.054 0.405 -2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.896 2.511 -3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.863 2.075 -2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.501 1.770 -4.098 1.00 0.00 H new ATOM 29 N ASP A 3 -0.457 -1.106 -4.865 1.00 0.00 N ATOM 30 CA ASP A 3 -1.076 -1.652 -6.103 1.00 0.00 C ATOM 31 C ASP A 3 -2.635 -1.447 -6.067 1.00 0.00 C ATOM 32 O ASP A 3 -3.313 -2.220 -5.379 1.00 0.00 O ATOM 33 CB ASP A 3 -0.635 -3.136 -6.232 1.00 0.00 C ATOM 34 CG ASP A 3 -1.039 -3.788 -7.555 1.00 0.00 C ATOM 35 OD1 ASP A 3 -2.173 -4.201 -7.784 1.00 0.00 O ATOM 36 OD2 ASP A 3 -0.008 -3.832 -8.450 1.00 0.00 O ATOM 0 H ASP A 3 -0.756 -1.583 -4.015 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.739 -1.123 -6.995 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.448 -3.194 -6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.067 -3.706 -5.410 1.00 0.00 H new ATOM 41 N PRO A 4 -3.255 -0.487 -6.821 1.00 0.00 N ATOM 42 CA PRO A 4 -4.739 -0.333 -6.877 1.00 0.00 C ATOM 43 C PRO A 4 -5.625 -1.519 -7.378 1.00 0.00 C ATOM 44 O PRO A 4 -6.744 -1.681 -6.888 1.00 0.00 O ATOM 45 CB PRO A 4 -4.913 0.939 -7.732 1.00 0.00 C ATOM 46 CG PRO A 4 -3.615 1.722 -7.537 1.00 0.00 C ATOM 47 CD PRO A 4 -2.544 0.634 -7.469 1.00 0.00 C ATOM 0 HA PRO A 4 -5.122 -0.288 -5.857 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.072 0.691 -8.782 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.777 1.519 -7.407 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.435 2.411 -8.362 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.640 2.318 -6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -2.180 0.363 -8.460 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.679 0.954 -6.888 1.00 0.00 H new ATOM 55 N ALA A 5 -5.135 -2.353 -8.316 1.00 0.00 N ATOM 56 CA ALA A 5 -5.826 -3.608 -8.732 1.00 0.00 C ATOM 57 C ALA A 5 -5.963 -4.700 -7.616 1.00 0.00 C ATOM 58 O ALA A 5 -7.081 -5.143 -7.335 1.00 0.00 O ATOM 59 CB ALA A 5 -5.110 -4.121 -9.997 1.00 0.00 C ATOM 0 H ALA A 5 -4.257 -2.186 -8.808 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.869 -3.374 -8.943 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.585 -5.041 -10.336 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.175 -3.368 -10.782 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.062 -4.317 -9.768 1.00 0.00 H new ATOM 65 N ALA A 6 -4.864 -5.070 -6.927 1.00 0.00 N ATOM 66 CA ALA A 6 -4.934 -5.793 -5.625 1.00 0.00 C ATOM 67 C ALA A 6 -5.711 -5.067 -4.471 1.00 0.00 C ATOM 68 O ALA A 6 -6.445 -5.723 -3.729 1.00 0.00 O ATOM 69 CB ALA A 6 -3.487 -6.129 -5.222 1.00 0.00 C ATOM 0 H ALA A 6 -3.913 -4.883 -7.245 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.538 -6.688 -5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.488 -6.661 -4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.032 -6.757 -5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.914 -5.207 -5.121 1.00 0.00 H new ATOM 75 N GLY A 7 -5.610 -3.727 -4.357 1.00 0.00 N ATOM 76 CA GLY A 7 -6.529 -2.908 -3.523 1.00 0.00 C ATOM 77 C GLY A 7 -8.051 -3.022 -3.763 1.00 0.00 C ATOM 78 O GLY A 7 -8.787 -3.131 -2.785 1.00 0.00 O ATOM 0 H GLY A 7 -4.895 -3.179 -4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.340 -3.159 -2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.251 -1.862 -3.655 1.00 0.00 H new ATOM 82 N GLU A 8 -8.520 -3.054 -5.024 1.00 0.00 N ATOM 83 CA GLU A 8 -9.913 -3.481 -5.367 1.00 0.00 C ATOM 84 C GLU A 8 -10.298 -4.921 -4.873 1.00 0.00 C ATOM 85 O GLU A 8 -11.354 -5.083 -4.259 1.00 0.00 O ATOM 86 CB GLU A 8 -10.137 -3.293 -6.898 1.00 0.00 C ATOM 87 CG GLU A 8 -11.606 -3.112 -7.371 1.00 0.00 C ATOM 88 CD GLU A 8 -12.574 -4.283 -7.174 1.00 0.00 C ATOM 89 OE1 GLU A 8 -12.524 -5.328 -7.815 1.00 0.00 O ATOM 90 OE2 GLU A 8 -13.510 -4.024 -6.215 1.00 0.00 O ATOM 0 H GLU A 8 -7.960 -2.790 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.596 -2.836 -4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.566 -2.423 -7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.718 -4.158 -7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.019 -2.246 -6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.587 -2.869 -8.433 1.00 0.00 H new ATOM 97 N LYS A 9 -9.443 -5.943 -5.085 1.00 0.00 N ATOM 98 CA LYS A 9 -9.613 -7.301 -4.480 1.00 0.00 C ATOM 99 C LYS A 9 -9.716 -7.331 -2.912 1.00 0.00 C ATOM 100 O LYS A 9 -10.650 -7.935 -2.380 1.00 0.00 O ATOM 101 CB LYS A 9 -8.492 -8.252 -4.992 1.00 0.00 C ATOM 102 CG LYS A 9 -8.395 -8.434 -6.525 1.00 0.00 C ATOM 103 CD LYS A 9 -7.339 -9.482 -6.939 1.00 0.00 C ATOM 104 CE LYS A 9 -7.104 -9.589 -8.456 1.00 0.00 C ATOM 105 NZ LYS A 9 -8.243 -10.218 -9.155 1.00 0.00 N ATOM 0 H LYS A 9 -8.616 -5.861 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.588 -7.653 -4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.534 -7.878 -4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.642 -9.232 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.369 -8.734 -6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.150 -7.477 -6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.394 -9.237 -6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.647 -10.457 -6.563 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.933 -8.594 -8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.201 -10.170 -8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.040 -10.269 -10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.391 -11.178 -8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.101 -9.651 -9.001 1.00 0.00 H new ATOM 118 N VAL A 10 -8.819 -6.636 -2.179 1.00 0.00 N ATOM 119 CA VAL A 10 -8.968 -6.392 -0.703 1.00 0.00 C ATOM 120 C VAL A 10 -10.255 -5.556 -0.329 1.00 0.00 C ATOM 121 O VAL A 10 -10.964 -5.927 0.612 1.00 0.00 O ATOM 122 CB VAL A 10 -7.644 -5.797 -0.096 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.682 -5.652 1.445 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.359 -6.613 -0.395 1.00 0.00 C ATOM 0 H VAL A 10 -7.974 -6.226 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.132 -7.363 -0.235 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.599 -4.828 -0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.737 -5.236 1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.498 -4.987 1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.838 -6.631 1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.501 -6.123 0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.464 -7.619 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.208 -6.672 -1.473 1.00 0.00 H new ATOM 134 N PHE A 11 -10.594 -4.483 -1.075 1.00 0.00 N ATOM 135 CA PHE A 11 -11.919 -3.795 -0.986 1.00 0.00 C ATOM 136 C PHE A 11 -13.207 -4.652 -1.299 1.00 0.00 C ATOM 137 O PHE A 11 -14.305 -4.231 -0.926 1.00 0.00 O ATOM 138 CB PHE A 11 -11.828 -2.501 -1.850 1.00 0.00 C ATOM 139 CG PHE A 11 -12.805 -1.380 -1.460 1.00 0.00 C ATOM 140 CD1 PHE A 11 -12.440 -0.436 -0.495 1.00 0.00 C ATOM 141 CD2 PHE A 11 -14.071 -1.302 -2.049 1.00 0.00 C ATOM 142 CE1 PHE A 11 -13.338 0.552 -0.104 1.00 0.00 C ATOM 143 CE2 PHE A 11 -14.977 -0.324 -1.642 1.00 0.00 C ATOM 144 CZ PHE A 11 -14.610 0.602 -0.670 1.00 0.00 C ATOM 0 H PHE A 11 -9.964 -4.062 -1.758 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.085 -3.571 0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.811 -2.113 -1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.003 -2.767 -2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -11.456 -0.474 -0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -14.348 -2.003 -2.823 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.049 1.281 0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.963 -0.285 -2.081 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.312 1.360 -0.354 1.00 0.00 H new ATOM 154 N GLY A 12 -13.101 -5.873 -1.865 1.00 0.00 N ATOM 155 CA GLY A 12 -14.152 -6.925 -1.761 1.00 0.00 C ATOM 156 C GLY A 12 -14.785 -7.223 -0.374 1.00 0.00 C ATOM 157 O GLY A 12 -16.003 -7.379 -0.279 1.00 0.00 O ATOM 0 H GLY A 12 -12.288 -6.164 -2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.960 -6.651 -2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.724 -7.855 -2.134 1.00 0.00 H new ATOM 161 N LYS A 13 -13.972 -7.233 0.695 1.00 0.00 N ATOM 162 CA LYS A 13 -14.474 -7.155 2.103 1.00 0.00 C ATOM 163 C LYS A 13 -15.284 -5.870 2.503 1.00 0.00 C ATOM 164 O LYS A 13 -16.209 -5.951 3.314 1.00 0.00 O ATOM 165 CB LYS A 13 -13.264 -7.340 3.063 1.00 0.00 C ATOM 166 CG LYS A 13 -12.621 -8.747 3.087 1.00 0.00 C ATOM 167 CD LYS A 13 -11.366 -8.802 3.983 1.00 0.00 C ATOM 168 CE LYS A 13 -10.697 -10.186 4.064 1.00 0.00 C ATOM 169 NZ LYS A 13 -11.488 -11.134 4.878 1.00 0.00 N ATOM 0 H LYS A 13 -12.956 -7.294 0.624 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.211 -7.953 2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.496 -6.617 2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.588 -7.094 4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.352 -9.472 3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.353 -9.039 2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.638 -8.082 3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.640 -8.486 4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.571 -10.588 3.059 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.700 -10.083 4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.004 -12.054 4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.587 -10.763 5.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.431 -11.253 4.455 1.00 0.00 H new ATOM 182 N CYS A 14 -14.923 -4.703 1.955 1.00 0.00 N ATOM 183 CA CYS A 14 -15.616 -3.414 2.213 1.00 0.00 C ATOM 184 C CYS A 14 -16.915 -3.160 1.375 1.00 0.00 C ATOM 185 O CYS A 14 -17.894 -2.658 1.933 1.00 0.00 O ATOM 186 CB CYS A 14 -14.600 -2.263 2.009 1.00 0.00 C ATOM 187 SG CYS A 14 -12.894 -2.648 2.499 1.00 0.00 S ATOM 0 H CYS A 14 -14.135 -4.616 1.313 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.975 -3.460 3.241 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.604 -1.977 0.957 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.938 -1.396 2.576 1.00 0.00 H new ATOM 192 N LYS A 15 -16.931 -3.466 0.057 1.00 0.00 N ATOM 193 CA LYS A 15 -18.030 -3.059 -0.876 1.00 0.00 C ATOM 194 C LYS A 15 -19.489 -3.580 -0.644 1.00 0.00 C ATOM 195 O LYS A 15 -20.440 -2.920 -1.078 1.00 0.00 O ATOM 196 CB LYS A 15 -17.541 -3.192 -2.343 1.00 0.00 C ATOM 197 CG LYS A 15 -17.351 -4.608 -2.935 1.00 0.00 C ATOM 198 CD LYS A 15 -16.641 -4.549 -4.306 1.00 0.00 C ATOM 199 CE LYS A 15 -16.557 -5.911 -5.013 1.00 0.00 C ATOM 200 NZ LYS A 15 -15.836 -5.774 -6.295 1.00 0.00 N ATOM 0 H LYS A 15 -16.190 -4.000 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.207 -2.016 -0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.250 -2.660 -2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.588 -2.669 -2.423 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.767 -5.218 -2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.321 -5.092 -3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.170 -3.846 -4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.633 -4.158 -4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.045 -6.630 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.560 -6.300 -5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.502 -6.708 -6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.476 -5.377 -7.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.021 -5.140 -6.169 1.00 0.00 H new ATOM 213 N ALA A 16 -19.686 -4.687 0.096 1.00 0.00 N ATOM 214 CA ALA A 16 -21.004 -5.017 0.710 1.00 0.00 C ATOM 215 C ALA A 16 -21.586 -3.966 1.724 1.00 0.00 C ATOM 216 O ALA A 16 -22.792 -3.707 1.710 1.00 0.00 O ATOM 217 CB ALA A 16 -20.842 -6.408 1.353 1.00 0.00 C ATOM 0 H ALA A 16 -18.956 -5.373 0.288 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.755 -5.001 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.781 -6.704 1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.574 -7.134 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.056 -6.371 2.108 1.00 0.00 H new ATOM 223 N CYS A 17 -20.741 -3.356 2.577 1.00 0.00 N ATOM 224 CA CYS A 17 -21.143 -2.232 3.457 1.00 0.00 C ATOM 225 C CYS A 17 -20.923 -0.792 2.871 1.00 0.00 C ATOM 226 O CYS A 17 -21.788 0.064 3.072 1.00 0.00 O ATOM 227 CB CYS A 17 -20.378 -2.411 4.783 1.00 0.00 C ATOM 228 SG CYS A 17 -20.732 -4.004 5.595 1.00 0.00 S ATOM 0 H CYS A 17 -19.762 -3.624 2.679 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.224 -2.283 3.584 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.307 -2.336 4.592 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -20.639 -1.598 5.460 1.00 0.00 H new ATOM 233 N HIS A 18 -19.779 -0.505 2.221 1.00 0.00 N ATOM 234 CA HIS A 18 -19.350 0.870 1.846 1.00 0.00 C ATOM 235 C HIS A 18 -19.264 1.029 0.299 1.00 0.00 C ATOM 236 O HIS A 18 -18.520 0.319 -0.383 1.00 0.00 O ATOM 237 CB HIS A 18 -17.948 1.140 2.439 1.00 0.00 C ATOM 238 CG HIS A 18 -17.886 1.380 3.941 1.00 0.00 C ATOM 239 ND1 HIS A 18 -17.864 2.638 4.482 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.514 0.442 4.902 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.380 2.378 5.721 1.00 0.00 C ATOM 242 NE2 HIS A 18 -17.219 1.058 6.126 1.00 0.00 N ATOM 0 H HIS A 18 -19.115 -1.224 1.935 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.084 1.575 2.236 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.307 0.291 2.201 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.525 2.010 1.936 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.137 3.528 4.066 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.460 -0.622 4.726 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.122 3.188 6.387 1.00 0.00 H new ATOM 250 N LYS A 19 -19.992 2.007 -0.247 1.00 0.00 N ATOM 251 CA LYS A 19 -20.192 2.136 -1.720 1.00 0.00 C ATOM 252 C LYS A 19 -19.502 3.415 -2.287 1.00 0.00 C ATOM 253 O LYS A 19 -19.854 4.554 -1.964 1.00 0.00 O ATOM 254 CB LYS A 19 -21.712 2.013 -2.023 1.00 0.00 C ATOM 255 CG LYS A 19 -22.205 0.543 -1.997 1.00 0.00 C ATOM 256 CD LYS A 19 -23.727 0.378 -1.842 1.00 0.00 C ATOM 257 CE LYS A 19 -24.223 -1.070 -2.025 1.00 0.00 C ATOM 258 NZ LYS A 19 -23.681 -2.026 -1.032 1.00 0.00 N ATOM 0 H LYS A 19 -20.460 2.730 0.299 1.00 0.00 H new ATOM 0 HA LYS A 19 -19.695 1.325 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.273 2.594 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.920 2.446 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -21.892 0.053 -2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -21.711 0.023 -1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -24.021 0.730 -0.853 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.227 1.017 -2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -25.311 -1.080 -1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -23.955 -1.411 -3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -24.184 -2.932 -1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -22.668 -2.176 -1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -23.810 -1.642 -0.074 1.00 0.00 H new ATOM 271 N LEU A 20 -18.518 3.198 -3.179 1.00 0.00 N ATOM 272 CA LEU A 20 -17.706 4.285 -3.808 1.00 0.00 C ATOM 273 C LEU A 20 -18.398 5.186 -4.889 1.00 0.00 C ATOM 274 O LEU A 20 -17.775 6.146 -5.348 1.00 0.00 O ATOM 275 CB LEU A 20 -16.430 3.625 -4.414 1.00 0.00 C ATOM 276 CG LEU A 20 -15.433 2.940 -3.443 1.00 0.00 C ATOM 277 CD1 LEU A 20 -14.382 2.153 -4.236 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.720 3.940 -2.520 1.00 0.00 C ATOM 0 H LEU A 20 -18.254 2.264 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.503 4.990 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -16.753 2.880 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.886 4.393 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.019 2.269 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.687 1.676 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -14.876 1.390 -4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.835 2.833 -4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.035 3.404 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.160 4.655 -3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.458 4.471 -1.919 1.00 0.00 H new ATOM 290 N ASP A 21 -19.660 4.938 -5.292 1.00 0.00 N ATOM 291 CA ASP A 21 -20.437 5.908 -6.131 1.00 0.00 C ATOM 292 C ASP A 21 -21.262 6.924 -5.261 1.00 0.00 C ATOM 293 O ASP A 21 -22.482 7.039 -5.400 1.00 0.00 O ATOM 294 CB ASP A 21 -21.297 5.090 -7.140 1.00 0.00 C ATOM 295 CG ASP A 21 -20.571 4.408 -8.307 1.00 0.00 C ATOM 296 OD1 ASP A 21 -19.416 3.796 -7.915 1.00 0.00 O ATOM 297 OD2 ASP A 21 -21.001 4.405 -9.456 1.00 0.00 O ATOM 0 H ASP A 21 -20.170 4.086 -5.059 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.758 6.546 -6.696 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -21.829 4.321 -6.581 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.050 5.758 -7.558 1.00 0.00 H new ATOM 302 N GLY A 22 -20.584 7.665 -4.360 1.00 0.00 N ATOM 303 CA GLY A 22 -21.214 8.661 -3.442 1.00 0.00 C ATOM 304 C GLY A 22 -22.459 8.289 -2.588 1.00 0.00 C ATOM 305 O GLY A 22 -23.293 9.159 -2.338 1.00 0.00 O ATOM 0 H GLY A 22 -19.573 7.595 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.440 8.991 -2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.489 9.524 -4.048 1.00 0.00 H new ATOM 309 N ASN A 23 -22.581 7.027 -2.143 1.00 0.00 N ATOM 310 CA ASN A 23 -23.779 6.518 -1.416 1.00 0.00 C ATOM 311 C ASN A 23 -23.379 5.632 -0.190 1.00 0.00 C ATOM 312 O ASN A 23 -22.400 4.879 -0.221 1.00 0.00 O ATOM 313 CB ASN A 23 -24.671 5.713 -2.407 1.00 0.00 C ATOM 314 CG ASN A 23 -25.602 6.567 -3.272 1.00 0.00 C ATOM 315 OD1 ASN A 23 -26.707 6.913 -2.873 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.211 6.939 -4.466 1.00 0.00 N ATOM 0 H ASN A 23 -21.856 6.322 -2.273 1.00 0.00 H new ATOM 0 HA ASN A 23 -24.337 7.369 -1.026 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -24.025 5.128 -3.062 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -25.274 5.005 -1.838 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -25.824 7.509 -5.049 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.293 6.659 -4.812 1.00 0.00 H new ATOM 323 N ASP A 24 -24.184 5.693 0.885 1.00 0.00 N ATOM 324 CA ASP A 24 -24.047 4.776 2.052 1.00 0.00 C ATOM 325 C ASP A 24 -24.841 3.445 1.888 1.00 0.00 C ATOM 326 O ASP A 24 -26.020 3.476 1.519 1.00 0.00 O ATOM 327 CB ASP A 24 -24.456 5.508 3.357 1.00 0.00 C ATOM 328 CG ASP A 24 -25.833 6.174 3.517 1.00 0.00 C ATOM 329 OD1 ASP A 24 -26.849 5.502 2.890 1.00 0.00 O ATOM 330 OD2 ASP A 24 -25.986 7.205 4.166 1.00 0.00 O ATOM 0 H ASP A 24 -24.943 6.368 0.979 1.00 0.00 H new ATOM 0 HA ASP A 24 -22.996 4.493 2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -24.360 4.785 4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -23.709 6.283 3.531 1.00 0.00 H new ATOM 335 N GLY A 25 -24.225 2.315 2.258 1.00 0.00 N ATOM 336 CA GLY A 25 -24.940 1.010 2.340 1.00 0.00 C ATOM 337 C GLY A 25 -25.258 0.616 3.794 1.00 0.00 C ATOM 338 O GLY A 25 -26.211 1.120 4.390 1.00 0.00 O ATOM 0 H GLY A 25 -23.237 2.265 2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -25.867 1.068 1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -24.330 0.233 1.879 1.00 0.00 H new ATOM 342 N VAL A 26 -24.416 -0.250 4.366 1.00 0.00 N ATOM 343 CA VAL A 26 -24.329 -0.433 5.855 1.00 0.00 C ATOM 344 C VAL A 26 -23.381 0.645 6.499 1.00 0.00 C ATOM 345 O VAL A 26 -23.763 1.253 7.501 1.00 0.00 O ATOM 346 CB VAL A 26 -23.955 -1.907 6.253 1.00 0.00 C ATOM 347 CG1 VAL A 26 -23.917 -2.145 7.782 1.00 0.00 C ATOM 348 CG2 VAL A 26 -24.893 -2.985 5.658 1.00 0.00 C ATOM 0 H VAL A 26 -23.777 -0.844 3.838 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.322 -0.267 6.272 1.00 0.00 H new ATOM 0 HB VAL A 26 -22.958 -2.014 5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -23.652 -3.183 7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -23.174 -1.488 8.234 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -24.897 -1.932 8.208 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -24.564 -3.972 5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -25.912 -2.811 6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -24.864 -2.932 4.570 1.00 0.00 H new ATOM 358 N GLY A 27 -22.172 0.875 5.946 1.00 0.00 N ATOM 359 CA GLY A 27 -21.334 2.048 6.300 1.00 0.00 C ATOM 360 C GLY A 27 -21.426 3.267 5.331 1.00 0.00 C ATOM 361 O GLY A 27 -22.103 3.182 4.298 1.00 0.00 O ATOM 0 H GLY A 27 -21.749 0.262 5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.613 2.381 7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.294 1.726 6.350 1.00 0.00 H new ATOM 365 N PRO A 28 -20.742 4.419 5.601 1.00 0.00 N ATOM 366 CA PRO A 28 -20.754 5.602 4.691 1.00 0.00 C ATOM 367 C PRO A 28 -20.051 5.415 3.302 1.00 0.00 C ATOM 368 O PRO A 28 -19.443 4.384 3.005 1.00 0.00 O ATOM 369 CB PRO A 28 -20.094 6.675 5.588 1.00 0.00 C ATOM 370 CG PRO A 28 -19.178 5.902 6.531 1.00 0.00 C ATOM 371 CD PRO A 28 -19.984 4.649 6.849 1.00 0.00 C ATOM 0 HA PRO A 28 -21.758 5.850 4.346 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.530 7.393 4.993 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.844 7.240 6.143 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -18.226 5.659 6.059 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.951 6.474 7.431 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.339 3.804 7.092 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.646 4.800 7.702 1.00 0.00 H new ATOM 379 N HIS A 29 -20.106 6.440 2.438 1.00 0.00 N ATOM 380 CA HIS A 29 -19.353 6.440 1.153 1.00 0.00 C ATOM 381 C HIS A 29 -17.817 6.661 1.365 1.00 0.00 C ATOM 382 O HIS A 29 -17.412 7.694 1.907 1.00 0.00 O ATOM 383 CB HIS A 29 -20.011 7.465 0.190 1.00 0.00 C ATOM 384 CG HIS A 29 -19.883 8.962 0.491 1.00 0.00 C ATOM 385 ND1 HIS A 29 -20.769 9.660 1.299 1.00 0.00 N ATOM 386 CD2 HIS A 29 -18.900 9.822 -0.030 1.00 0.00 C ATOM 387 CE1 HIS A 29 -20.228 10.916 1.178 1.00 0.00 C ATOM 388 NE2 HIS A 29 -19.101 11.110 0.424 1.00 0.00 N ATOM 0 H HIS A 29 -20.660 7.282 2.596 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.416 5.456 0.689 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.598 7.294 -0.804 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -21.074 7.231 0.138 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.102 9.518 -0.691 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -20.692 11.753 1.678 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -18.565 11.960 0.249 1.00 0.00 H new ATOM 396 N LEU A 30 -16.956 5.716 0.949 1.00 0.00 N ATOM 397 CA LEU A 30 -15.465 5.886 1.071 1.00 0.00 C ATOM 398 C LEU A 30 -14.735 6.661 -0.088 1.00 0.00 C ATOM 399 O LEU A 30 -13.524 6.878 0.007 1.00 0.00 O ATOM 400 CB LEU A 30 -14.795 4.515 1.383 1.00 0.00 C ATOM 401 CG LEU A 30 -15.151 3.849 2.739 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.558 2.436 2.828 1.00 0.00 C ATOM 403 CD2 LEU A 30 -14.702 4.643 3.980 1.00 0.00 C ATOM 0 H LEU A 30 -17.244 4.832 0.529 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.334 6.568 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.058 3.820 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.714 4.650 1.345 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.241 3.820 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.821 1.991 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.958 1.822 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.473 2.490 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.992 4.104 4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.619 4.764 3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.177 5.624 3.976 1.00 0.00 H new ATOM 415 N ASN A 31 -15.442 7.146 -1.129 1.00 0.00 N ATOM 416 CA ASN A 31 -14.874 8.040 -2.179 1.00 0.00 C ATOM 417 C ASN A 31 -14.517 9.450 -1.606 1.00 0.00 C ATOM 418 O ASN A 31 -15.380 10.185 -1.113 1.00 0.00 O ATOM 419 CB ASN A 31 -15.788 8.092 -3.435 1.00 0.00 C ATOM 420 CG ASN A 31 -17.262 8.472 -3.232 1.00 0.00 C ATOM 421 OD1 ASN A 31 -18.031 7.725 -2.637 1.00 0.00 O ATOM 422 ND2 ASN A 31 -17.724 9.604 -3.706 1.00 0.00 N ATOM 0 H ASN A 31 -16.429 6.932 -1.273 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.929 7.611 -2.514 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.352 8.803 -4.137 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.757 7.113 -3.913 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.706 9.848 -3.576 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.102 10.240 -4.204 1.00 0.00 H new ATOM 429 N GLY A 32 -13.213 9.750 -1.562 1.00 0.00 N ATOM 430 CA GLY A 32 -12.683 10.920 -0.811 1.00 0.00 C ATOM 431 C GLY A 32 -12.545 10.758 0.723 1.00 0.00 C ATOM 432 O GLY A 32 -12.858 11.700 1.454 1.00 0.00 O ATOM 0 H GLY A 32 -12.494 9.203 -2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.702 11.168 -1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.334 11.772 -1.006 1.00 0.00 H new ATOM 436 N VAL A 33 -12.105 9.585 1.219 1.00 0.00 N ATOM 437 CA VAL A 33 -11.818 9.361 2.677 1.00 0.00 C ATOM 438 C VAL A 33 -10.347 9.674 3.138 1.00 0.00 C ATOM 439 O VAL A 33 -10.159 10.068 4.292 1.00 0.00 O ATOM 440 CB VAL A 33 -12.349 7.957 3.127 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.491 6.764 2.653 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.547 7.854 4.658 1.00 0.00 C ATOM 0 H VAL A 33 -11.935 8.764 0.638 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.381 10.122 3.218 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.316 7.885 2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.933 5.834 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.453 6.753 1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.481 6.862 3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.916 6.860 4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.595 8.027 5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.270 8.603 4.983 1.00 0.00 H new ATOM 452 N VAL A 34 -9.312 9.507 2.289 1.00 0.00 N ATOM 453 CA VAL A 34 -7.882 9.761 2.665 1.00 0.00 C ATOM 454 C VAL A 34 -7.644 11.302 2.860 1.00 0.00 C ATOM 455 O VAL A 34 -7.731 12.081 1.907 1.00 0.00 O ATOM 456 CB VAL A 34 -6.887 9.105 1.639 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.409 9.230 2.080 1.00 0.00 C ATOM 458 CG2 VAL A 34 -7.132 7.599 1.369 1.00 0.00 C ATOM 0 H VAL A 34 -9.430 9.194 1.325 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.675 9.278 3.620 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.083 9.671 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.766 8.760 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.145 10.283 2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.273 8.734 3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.399 7.234 0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.035 7.042 2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.135 7.460 0.966 1.00 0.00 H new ATOM 468 N GLY A 35 -7.404 11.730 4.113 1.00 0.00 N ATOM 469 CA GLY A 35 -7.508 13.167 4.510 1.00 0.00 C ATOM 470 C GLY A 35 -8.848 13.696 5.097 1.00 0.00 C ATOM 471 O GLY A 35 -8.891 14.855 5.512 1.00 0.00 O ATOM 0 H GLY A 35 -7.136 11.109 4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.728 13.362 5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.275 13.768 3.631 1.00 0.00 H new ATOM 475 N ARG A 36 -9.927 12.897 5.146 1.00 0.00 N ATOM 476 CA ARG A 36 -11.275 13.350 5.587 1.00 0.00 C ATOM 477 C ARG A 36 -11.442 13.302 7.138 1.00 0.00 C ATOM 478 O ARG A 36 -11.007 12.354 7.793 1.00 0.00 O ATOM 479 CB ARG A 36 -12.304 12.420 4.891 1.00 0.00 C ATOM 480 CG ARG A 36 -13.786 12.869 4.983 1.00 0.00 C ATOM 481 CD ARG A 36 -14.804 11.730 4.833 1.00 0.00 C ATOM 482 NE ARG A 36 -14.913 11.243 3.433 1.00 0.00 N ATOM 483 CZ ARG A 36 -15.685 10.236 3.034 1.00 0.00 C ATOM 484 NH1 ARG A 36 -16.413 9.509 3.841 1.00 0.00 N ATOM 485 NH2 ARG A 36 -15.729 9.937 1.776 1.00 0.00 N ATOM 0 H ARG A 36 -9.898 11.912 4.881 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.426 14.393 5.309 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.034 12.334 3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.218 11.424 5.325 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.946 13.359 5.944 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.976 13.614 4.210 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.516 10.902 5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.781 12.074 5.171 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.353 11.717 2.724 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.410 9.701 4.843 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.984 8.750 3.469 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.176 10.471 1.105 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.316 9.167 1.455 1.00 0.00 H new ATOM 499 N THR A 37 -12.159 14.279 7.712 1.00 0.00 N ATOM 500 CA THR A 37 -12.526 14.297 9.161 1.00 0.00 C ATOM 501 C THR A 37 -13.265 13.007 9.668 1.00 0.00 C ATOM 502 O THR A 37 -14.100 12.421 8.968 1.00 0.00 O ATOM 503 CB THR A 37 -13.310 15.624 9.412 1.00 0.00 C ATOM 504 OG1 THR A 37 -12.505 16.749 9.050 1.00 0.00 O ATOM 505 CG2 THR A 37 -13.749 15.876 10.862 1.00 0.00 C ATOM 0 H THR A 37 -12.508 15.086 7.195 1.00 0.00 H new ATOM 0 HA THR A 37 -11.620 14.276 9.766 1.00 0.00 H new ATOM 0 HB THR A 37 -14.206 15.508 8.802 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.581 16.597 9.339 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.284 16.824 10.921 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.404 15.069 11.189 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.871 15.915 11.507 1.00 0.00 H new ATOM 513 N VAL A 38 -12.938 12.572 10.901 1.00 0.00 N ATOM 514 CA VAL A 38 -13.579 11.387 11.550 1.00 0.00 C ATOM 515 C VAL A 38 -15.079 11.704 11.899 1.00 0.00 C ATOM 516 O VAL A 38 -15.387 12.754 12.471 1.00 0.00 O ATOM 517 CB VAL A 38 -12.736 10.895 12.779 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.325 9.622 13.427 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.257 10.557 12.462 1.00 0.00 C ATOM 0 H VAL A 38 -12.229 13.021 11.480 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.593 10.552 10.849 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.778 11.754 13.449 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.705 9.324 14.272 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.338 9.826 13.774 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.349 8.817 12.692 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.756 10.227 13.372 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.217 9.763 11.717 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.756 11.444 12.074 1.00 0.00 H new ATOM 529 N ALA A 39 -16.007 10.822 11.471 1.00 0.00 N ATOM 530 CA ALA A 39 -17.462 11.148 11.332 1.00 0.00 C ATOM 531 C ALA A 39 -17.879 12.203 10.238 1.00 0.00 C ATOM 532 O ALA A 39 -18.972 12.775 10.302 1.00 0.00 O ATOM 533 CB ALA A 39 -18.125 11.387 12.708 1.00 0.00 C ATOM 0 H ALA A 39 -15.780 9.863 11.210 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.879 10.239 10.899 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.180 11.621 12.568 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.030 10.489 13.318 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.632 12.220 13.210 1.00 0.00 H new ATOM 539 N GLY A 40 -17.075 12.406 9.176 1.00 0.00 N ATOM 540 CA GLY A 40 -17.309 13.471 8.163 1.00 0.00 C ATOM 541 C GLY A 40 -18.238 13.122 6.978 1.00 0.00 C ATOM 542 O GLY A 40 -17.900 13.388 5.824 1.00 0.00 O ATOM 0 H GLY A 40 -16.246 11.842 8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.724 14.339 8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.343 13.772 7.758 1.00 0.00 H new ATOM 546 N VAL A 41 -19.418 12.570 7.282 1.00 0.00 N ATOM 547 CA VAL A 41 -20.560 12.484 6.315 1.00 0.00 C ATOM 548 C VAL A 41 -21.836 12.983 7.065 1.00 0.00 C ATOM 549 O VAL A 41 -22.489 12.217 7.783 1.00 0.00 O ATOM 550 CB VAL A 41 -20.733 11.063 5.661 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.939 10.971 4.694 1.00 0.00 C ATOM 552 CG2 VAL A 41 -19.492 10.606 4.861 1.00 0.00 C ATOM 0 H VAL A 41 -19.625 12.167 8.196 1.00 0.00 H new ATOM 0 HA VAL A 41 -20.360 13.122 5.454 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.892 10.414 6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -21.998 9.964 4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.858 11.195 5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -21.812 11.689 3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.676 9.619 4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -19.295 11.316 4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.628 10.560 5.524 1.00 0.00 H new ATOM 562 N ASP A 42 -22.219 14.258 6.858 1.00 0.00 N ATOM 563 CA ASP A 42 -23.457 14.842 7.455 1.00 0.00 C ATOM 564 C ASP A 42 -24.728 14.298 6.723 1.00 0.00 C ATOM 565 O ASP A 42 -25.038 14.690 5.594 1.00 0.00 O ATOM 566 CB ASP A 42 -23.379 16.393 7.407 1.00 0.00 C ATOM 567 CG ASP A 42 -22.278 17.024 8.264 1.00 0.00 C ATOM 568 OD1 ASP A 42 -22.697 17.295 9.536 1.00 0.00 O ATOM 569 OD2 ASP A 42 -21.146 17.247 7.843 1.00 0.00 O ATOM 0 H ASP A 42 -21.692 14.913 6.281 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.535 14.540 8.500 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.231 16.700 6.372 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -24.340 16.798 7.725 1.00 0.00 H new ATOM 574 N GLY A 43 -25.405 13.328 7.354 1.00 0.00 N ATOM 575 CA GLY A 43 -26.301 12.387 6.629 1.00 0.00 C ATOM 576 C GLY A 43 -26.271 10.937 7.162 1.00 0.00 C ATOM 577 O GLY A 43 -27.334 10.358 7.390 1.00 0.00 O ATOM 0 H GLY A 43 -25.356 13.167 8.360 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -27.323 12.761 6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -26.023 12.379 5.575 1.00 0.00 H new ATOM 581 N PHE A 44 -25.076 10.345 7.355 1.00 0.00 N ATOM 582 CA PHE A 44 -24.944 9.000 7.978 1.00 0.00 C ATOM 583 C PHE A 44 -25.059 9.064 9.542 1.00 0.00 C ATOM 584 O PHE A 44 -24.434 9.902 10.201 1.00 0.00 O ATOM 585 CB PHE A 44 -23.605 8.369 7.491 1.00 0.00 C ATOM 586 CG PHE A 44 -23.416 6.897 7.907 1.00 0.00 C ATOM 587 CD1 PHE A 44 -24.002 5.872 7.160 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.767 6.583 9.106 1.00 0.00 C ATOM 589 CE1 PHE A 44 -23.953 4.556 7.611 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.732 5.270 9.567 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.322 4.257 8.817 1.00 0.00 C ATOM 0 H PHE A 44 -24.187 10.770 7.092 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.769 8.361 7.664 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.558 8.437 6.404 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.775 8.956 7.884 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.496 6.102 6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.290 7.365 9.678 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.404 3.767 7.027 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -22.248 5.038 10.504 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.291 3.237 9.170 1.00 0.00 H new ATOM 601 N ASN A 45 -25.817 8.120 10.132 1.00 0.00 N ATOM 602 CA ASN A 45 -25.935 7.984 11.610 1.00 0.00 C ATOM 603 C ASN A 45 -24.700 7.248 12.236 1.00 0.00 C ATOM 604 O ASN A 45 -24.700 6.026 12.419 1.00 0.00 O ATOM 605 CB ASN A 45 -27.295 7.285 11.884 1.00 0.00 C ATOM 606 CG ASN A 45 -27.744 7.281 13.340 1.00 0.00 C ATOM 607 OD1 ASN A 45 -28.394 8.199 13.826 1.00 0.00 O ATOM 608 ND2 ASN A 45 -27.427 6.258 14.083 1.00 0.00 N ATOM 0 H ASN A 45 -26.362 7.433 9.611 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.925 8.957 12.100 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -28.063 7.775 11.286 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.231 6.253 11.538 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -27.720 6.227 15.060 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -26.886 5.489 13.688 1.00 0.00 H new ATOM 615 N TYR A 46 -23.665 8.023 12.594 1.00 0.00 N ATOM 616 CA TYR A 46 -22.449 7.503 13.275 1.00 0.00 C ATOM 617 C TYR A 46 -22.664 7.212 14.799 1.00 0.00 C ATOM 618 O TYR A 46 -23.501 7.839 15.459 1.00 0.00 O ATOM 619 CB TYR A 46 -21.295 8.534 13.081 1.00 0.00 C ATOM 620 CG TYR A 46 -20.720 8.667 11.661 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.777 7.747 11.194 1.00 0.00 C ATOM 622 CD2 TYR A 46 -21.110 9.725 10.834 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.223 7.888 9.926 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.558 9.863 9.564 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.607 8.950 9.113 1.00 0.00 C ATOM 626 OH TYR A 46 -19.003 9.138 7.900 1.00 0.00 O ATOM 0 H TYR A 46 -23.638 9.028 12.424 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.199 6.544 12.821 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.657 9.513 13.395 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.481 8.264 13.754 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.477 6.921 11.822 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -21.843 10.438 11.182 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.495 7.173 9.572 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -20.867 10.679 8.927 1.00 0.00 H new ATOM 0 HH TYR A 46 -18.713 10.071 7.820 1.00 0.00 H new ATOM 636 N SER A 47 -21.854 6.307 15.389 1.00 0.00 N ATOM 637 CA SER A 47 -21.798 6.155 16.874 1.00 0.00 C ATOM 638 C SER A 47 -21.141 7.377 17.597 1.00 0.00 C ATOM 639 O SER A 47 -20.204 7.998 17.082 1.00 0.00 O ATOM 640 CB SER A 47 -21.139 4.811 17.289 1.00 0.00 C ATOM 641 OG SER A 47 -19.713 4.800 17.169 1.00 0.00 O ATOM 0 H SER A 47 -21.237 5.677 14.877 1.00 0.00 H new ATOM 0 HA SER A 47 -22.833 6.132 17.214 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.408 4.590 18.322 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.551 4.011 16.674 1.00 0.00 H new ATOM 0 HG SER A 47 -19.333 4.192 17.838 1.00 0.00 H new ATOM 647 N ASP A 48 -21.611 7.698 18.817 1.00 0.00 N ATOM 648 CA ASP A 48 -21.036 8.801 19.651 1.00 0.00 C ATOM 649 C ASP A 48 -19.474 8.788 19.868 1.00 0.00 C ATOM 650 O ASP A 48 -18.893 9.862 19.690 1.00 0.00 O ATOM 651 CB ASP A 48 -21.822 8.932 20.983 1.00 0.00 C ATOM 652 CG ASP A 48 -23.261 9.430 20.830 1.00 0.00 C ATOM 653 OD1 ASP A 48 -23.569 10.613 20.725 1.00 0.00 O ATOM 654 OD2 ASP A 48 -24.161 8.409 20.806 1.00 0.00 O ATOM 0 H ASP A 48 -22.392 7.213 19.260 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.173 9.702 19.052 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.839 7.960 21.476 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.284 9.614 21.641 1.00 0.00 H new ATOM 659 N PRO A 49 -18.740 7.670 20.158 1.00 0.00 N ATOM 660 CA PRO A 49 -17.249 7.638 20.089 1.00 0.00 C ATOM 661 C PRO A 49 -16.544 7.951 18.733 1.00 0.00 C ATOM 662 O PRO A 49 -15.449 8.514 18.747 1.00 0.00 O ATOM 663 CB PRO A 49 -16.912 6.222 20.594 1.00 0.00 C ATOM 664 CG PRO A 49 -18.165 5.730 21.315 1.00 0.00 C ATOM 665 CD PRO A 49 -19.322 6.385 20.578 1.00 0.00 C ATOM 0 HA PRO A 49 -16.859 8.468 20.678 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.653 5.563 19.766 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -16.055 6.240 21.267 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.239 4.643 21.281 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.154 6.016 22.367 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.650 5.790 19.726 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.189 6.523 21.224 1.00 0.00 H new ATOM 673 N MET A 50 -17.153 7.615 17.580 1.00 0.00 N ATOM 674 CA MET A 50 -16.732 8.167 16.257 1.00 0.00 C ATOM 675 C MET A 50 -16.999 9.701 16.079 1.00 0.00 C ATOM 676 O MET A 50 -16.118 10.415 15.593 1.00 0.00 O ATOM 677 CB MET A 50 -17.402 7.290 15.167 1.00 0.00 C ATOM 678 CG MET A 50 -16.881 7.498 13.731 1.00 0.00 C ATOM 679 SD MET A 50 -15.175 6.943 13.564 1.00 0.00 S ATOM 680 CE MET A 50 -15.420 5.239 13.042 1.00 0.00 C ATOM 0 H MET A 50 -17.938 6.966 17.527 1.00 0.00 H new ATOM 0 HA MET A 50 -15.647 8.113 16.172 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.267 6.242 15.435 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.474 7.486 15.177 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.513 6.952 13.030 1.00 0.00 H new ATOM 0 HG3 MET A 50 -16.949 8.553 13.467 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.532 4.888 12.516 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.595 4.612 13.916 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.281 5.183 12.377 1.00 0.00 H new ATOM 690 N LYS A 51 -18.175 10.211 16.495 1.00 0.00 N ATOM 691 CA LYS A 51 -18.472 11.676 16.514 1.00 0.00 C ATOM 692 C LYS A 51 -17.561 12.514 17.474 1.00 0.00 C ATOM 693 O LYS A 51 -16.997 13.524 17.046 1.00 0.00 O ATOM 694 CB LYS A 51 -19.982 11.911 16.799 1.00 0.00 C ATOM 695 CG LYS A 51 -20.968 11.336 15.749 1.00 0.00 C ATOM 696 CD LYS A 51 -22.445 11.729 15.961 1.00 0.00 C ATOM 697 CE LYS A 51 -23.097 11.095 17.201 1.00 0.00 C ATOM 698 NZ LYS A 51 -24.515 11.490 17.292 1.00 0.00 N ATOM 0 H LYS A 51 -18.947 9.633 16.827 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.229 12.049 15.519 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.221 11.476 17.769 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.154 12.984 16.880 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.657 11.670 14.759 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.892 10.249 15.758 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.512 12.814 16.044 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -23.016 11.442 15.078 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.018 10.009 17.147 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.567 11.409 18.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.943 11.055 18.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.583 12.525 17.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -25.020 11.169 16.442 1.00 0.00 H new ATOM 711 N ALA A 52 -17.378 12.085 18.737 1.00 0.00 N ATOM 712 CA ALA A 52 -16.394 12.695 19.671 1.00 0.00 C ATOM 713 C ALA A 52 -14.934 12.108 19.642 1.00 0.00 C ATOM 714 O ALA A 52 -14.241 12.142 20.664 1.00 0.00 O ATOM 715 CB ALA A 52 -17.070 12.579 21.055 1.00 0.00 C ATOM 0 H ALA A 52 -17.902 11.310 19.144 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.189 13.723 19.372 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.416 13.005 21.816 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -18.016 13.120 21.044 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.255 11.529 21.283 1.00 0.00 H new ATOM 721 N HIS A 53 -14.422 11.643 18.482 1.00 0.00 N ATOM 722 CA HIS A 53 -13.014 11.163 18.352 1.00 0.00 C ATOM 723 C HIS A 53 -11.960 12.320 18.257 1.00 0.00 C ATOM 724 O HIS A 53 -11.048 12.377 19.086 1.00 0.00 O ATOM 725 CB HIS A 53 -12.952 10.154 17.170 1.00 0.00 C ATOM 726 CG HIS A 53 -11.679 9.308 17.115 1.00 0.00 C ATOM 727 ND1 HIS A 53 -10.646 9.527 16.214 1.00 0.00 N ATOM 728 CD2 HIS A 53 -11.401 8.198 17.932 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.812 8.502 16.583 1.00 0.00 C ATOM 730 NE2 HIS A 53 -10.177 7.651 17.595 1.00 0.00 N ATOM 0 H HIS A 53 -14.958 11.587 17.616 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.725 10.650 19.269 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -13.812 9.487 17.234 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.046 10.706 16.235 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -12.050 7.826 18.711 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.868 8.365 16.077 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.687 6.847 17.986 1.00 0.00 H new ATOM 738 N GLY A 54 -12.071 13.216 17.255 1.00 0.00 N ATOM 739 CA GLY A 54 -11.099 14.323 17.053 1.00 0.00 C ATOM 740 C GLY A 54 -9.889 13.957 16.177 1.00 0.00 C ATOM 741 O GLY A 54 -8.831 13.577 16.683 1.00 0.00 O ATOM 0 H GLY A 54 -12.825 13.199 16.568 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.618 15.167 16.599 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.739 14.656 18.027 1.00 0.00 H new ATOM 745 N GLY A 55 -10.053 14.104 14.861 1.00 0.00 N ATOM 746 CA GLY A 55 -8.980 13.788 13.890 1.00 0.00 C ATOM 747 C GLY A 55 -9.402 13.795 12.405 1.00 0.00 C ATOM 748 O GLY A 55 -10.556 14.050 12.041 1.00 0.00 O ATOM 0 H GLY A 55 -10.916 14.440 14.433 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.171 14.506 14.023 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.576 12.805 14.130 1.00 0.00 H new ATOM 752 N ASP A 56 -8.427 13.473 11.544 1.00 0.00 N ATOM 753 CA ASP A 56 -8.653 13.275 10.082 1.00 0.00 C ATOM 754 C ASP A 56 -8.007 11.932 9.611 1.00 0.00 C ATOM 755 O ASP A 56 -6.986 11.474 10.141 1.00 0.00 O ATOM 756 CB ASP A 56 -8.107 14.474 9.258 1.00 0.00 C ATOM 757 CG ASP A 56 -8.756 15.837 9.531 1.00 0.00 C ATOM 758 OD1 ASP A 56 -9.906 16.136 9.214 1.00 0.00 O ATOM 759 OD2 ASP A 56 -7.910 16.688 10.175 1.00 0.00 O ATOM 0 H ASP A 56 -7.456 13.340 11.828 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.728 13.222 9.908 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.037 14.560 9.447 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.226 14.244 8.199 1.00 0.00 H new ATOM 764 N TRP A 57 -8.595 11.305 8.577 1.00 0.00 N ATOM 765 CA TRP A 57 -8.212 9.938 8.126 1.00 0.00 C ATOM 766 C TRP A 57 -6.944 9.913 7.215 1.00 0.00 C ATOM 767 O TRP A 57 -6.992 9.669 6.007 1.00 0.00 O ATOM 768 CB TRP A 57 -9.455 9.260 7.480 1.00 0.00 C ATOM 769 CG TRP A 57 -10.519 8.713 8.442 1.00 0.00 C ATOM 770 CD1 TRP A 57 -11.876 9.100 8.466 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.387 7.765 9.450 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.596 8.408 9.456 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.654 7.602 10.062 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.254 7.072 9.958 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.794 6.779 11.203 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.414 6.276 11.090 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.663 6.140 11.710 1.00 0.00 C ATOM 0 H TRP A 57 -9.346 11.722 8.027 1.00 0.00 H new ATOM 0 HA TRP A 57 -7.907 9.356 8.995 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -9.933 9.984 6.820 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.108 8.438 6.854 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.308 9.837 7.805 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.589 8.484 9.676 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.291 7.161 9.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.758 6.648 11.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.560 5.755 11.497 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.751 5.529 12.596 1.00 0.00 H new ATOM 788 N THR A 58 -5.786 10.115 7.853 1.00 0.00 N ATOM 789 CA THR A 58 -4.443 9.974 7.218 1.00 0.00 C ATOM 790 C THR A 58 -4.068 8.474 6.903 1.00 0.00 C ATOM 791 O THR A 58 -4.610 7.580 7.566 1.00 0.00 O ATOM 792 CB THR A 58 -3.368 10.666 8.126 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.319 10.100 9.433 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.546 12.186 8.292 1.00 0.00 C ATOM 0 H THR A 58 -5.739 10.384 8.836 1.00 0.00 H new ATOM 0 HA THR A 58 -4.471 10.473 6.249 1.00 0.00 H new ATOM 0 HB THR A 58 -2.439 10.485 7.586 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.635 10.560 9.963 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.758 12.577 8.935 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.490 12.668 7.316 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.517 12.392 8.743 1.00 0.00 H new ATOM 802 N PRO A 59 -3.148 8.121 5.948 1.00 0.00 N ATOM 803 CA PRO A 59 -2.718 6.703 5.714 1.00 0.00 C ATOM 804 C PRO A 59 -2.271 5.860 6.956 1.00 0.00 C ATOM 805 O PRO A 59 -2.758 4.746 7.165 1.00 0.00 O ATOM 806 CB PRO A 59 -1.620 6.861 4.641 1.00 0.00 C ATOM 807 CG PRO A 59 -1.187 8.327 4.673 1.00 0.00 C ATOM 808 CD PRO A 59 -2.451 9.084 5.069 1.00 0.00 C ATOM 0 HA PRO A 59 -3.569 6.093 5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.776 6.203 4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.999 6.590 3.656 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.384 8.489 5.392 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.815 8.653 3.702 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.220 10.013 5.590 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.054 9.348 4.200 1.00 0.00 H new ATOM 816 N GLU A 60 -1.411 6.447 7.800 1.00 0.00 N ATOM 817 CA GLU A 60 -1.144 5.974 9.192 1.00 0.00 C ATOM 818 C GLU A 60 -2.394 5.687 10.104 1.00 0.00 C ATOM 819 O GLU A 60 -2.531 4.563 10.595 1.00 0.00 O ATOM 820 CB GLU A 60 -0.067 6.894 9.837 1.00 0.00 C ATOM 821 CG GLU A 60 -0.481 8.363 10.121 1.00 0.00 C ATOM 822 CD GLU A 60 0.620 9.299 10.618 1.00 0.00 C ATOM 823 OE1 GLU A 60 1.773 8.953 10.866 1.00 0.00 O ATOM 824 OE2 GLU A 60 0.157 10.577 10.751 1.00 0.00 O ATOM 0 H GLU A 60 -0.869 7.273 7.546 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.751 4.961 9.105 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.247 6.442 10.778 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.805 6.907 9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.898 8.783 9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.281 8.355 10.861 1.00 0.00 H new ATOM 831 N ALA A 61 -3.318 6.654 10.282 1.00 0.00 N ATOM 832 CA ALA A 61 -4.595 6.437 11.019 1.00 0.00 C ATOM 833 C ALA A 61 -5.589 5.404 10.392 1.00 0.00 C ATOM 834 O ALA A 61 -6.126 4.564 11.119 1.00 0.00 O ATOM 835 CB ALA A 61 -5.246 7.821 11.212 1.00 0.00 C ATOM 0 H ALA A 61 -3.208 7.603 9.924 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.347 5.964 11.969 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.188 7.708 11.750 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.576 8.462 11.785 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.436 8.273 10.238 1.00 0.00 H new ATOM 841 N LEU A 62 -5.796 5.424 9.059 1.00 0.00 N ATOM 842 CA LEU A 62 -6.516 4.345 8.324 1.00 0.00 C ATOM 843 C LEU A 62 -5.897 2.917 8.473 1.00 0.00 C ATOM 844 O LEU A 62 -6.638 1.997 8.819 1.00 0.00 O ATOM 845 CB LEU A 62 -6.656 4.743 6.824 1.00 0.00 C ATOM 846 CG LEU A 62 -7.672 5.866 6.491 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.447 6.387 5.063 1.00 0.00 C ATOM 848 CD2 LEU A 62 -9.130 5.387 6.626 1.00 0.00 C ATOM 0 H LEU A 62 -5.473 6.182 8.457 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.498 4.263 8.790 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.676 5.053 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.937 3.853 6.261 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.506 6.666 7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.168 7.175 4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.436 6.786 4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.576 5.570 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.806 6.207 6.383 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.305 4.557 5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.312 5.058 7.649 1.00 0.00 H new ATOM 860 N GLN A 63 -4.580 2.705 8.264 1.00 0.00 N ATOM 861 CA GLN A 63 -3.936 1.379 8.519 1.00 0.00 C ATOM 862 C GLN A 63 -3.927 0.886 10.014 1.00 0.00 C ATOM 863 O GLN A 63 -4.100 -0.311 10.262 1.00 0.00 O ATOM 864 CB GLN A 63 -2.579 1.296 7.760 1.00 0.00 C ATOM 865 CG GLN A 63 -1.317 1.889 8.437 1.00 0.00 C ATOM 866 CD GLN A 63 -0.620 0.986 9.466 1.00 0.00 C ATOM 867 OE1 GLN A 63 -0.592 -0.240 9.365 1.00 0.00 O ATOM 868 NE2 GLN A 63 -0.021 1.558 10.481 1.00 0.00 N ATOM 0 H GLN A 63 -3.939 3.421 7.923 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.590 0.618 8.092 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.380 0.245 7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.705 1.795 6.799 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.597 2.144 7.659 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.596 2.820 8.930 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.037 2.573 10.576 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.461 0.988 11.176 1.00 0.00 H new ATOM 877 N GLU A 64 -3.793 1.785 11.009 1.00 0.00 N ATOM 878 CA GLU A 64 -4.119 1.484 12.436 1.00 0.00 C ATOM 879 C GLU A 64 -5.611 1.062 12.683 1.00 0.00 C ATOM 880 O GLU A 64 -5.851 -0.011 13.245 1.00 0.00 O ATOM 881 CB GLU A 64 -3.704 2.697 13.317 1.00 0.00 C ATOM 882 CG GLU A 64 -2.181 2.951 13.439 1.00 0.00 C ATOM 883 CD GLU A 64 -1.841 4.245 14.173 1.00 0.00 C ATOM 884 OE1 GLU A 64 -1.741 4.066 15.519 1.00 0.00 O ATOM 885 OE2 GLU A 64 -1.677 5.326 13.615 1.00 0.00 O ATOM 0 H GLU A 64 -3.459 2.737 10.858 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.544 0.603 12.722 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.172 3.594 12.911 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.110 2.551 14.318 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.721 2.113 13.963 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.744 2.982 12.441 1.00 0.00 H new ATOM 892 N PHE A 65 -6.604 1.860 12.234 1.00 0.00 N ATOM 893 CA PHE A 65 -8.045 1.483 12.281 1.00 0.00 C ATOM 894 C PHE A 65 -8.442 0.194 11.485 1.00 0.00 C ATOM 895 O PHE A 65 -9.206 -0.616 12.002 1.00 0.00 O ATOM 896 CB PHE A 65 -8.820 2.751 11.833 1.00 0.00 C ATOM 897 CG PHE A 65 -10.354 2.655 11.911 1.00 0.00 C ATOM 898 CD1 PHE A 65 -11.017 2.774 13.138 1.00 0.00 C ATOM 899 CD2 PHE A 65 -11.098 2.423 10.750 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.403 2.653 13.202 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.482 2.304 10.821 1.00 0.00 C ATOM 902 CZ PHE A 65 -13.135 2.417 12.043 1.00 0.00 C ATOM 0 H PHE A 65 -6.437 2.781 11.829 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.307 1.181 13.295 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.495 3.590 12.448 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.540 2.982 10.805 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.451 2.960 14.039 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.597 2.336 9.797 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.909 2.742 14.152 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.052 2.123 9.922 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.210 2.322 12.092 1.00 0.00 H new ATOM 912 N LEU A 66 -7.928 -0.036 10.267 1.00 0.00 N ATOM 913 CA LEU A 66 -8.103 -1.338 9.558 1.00 0.00 C ATOM 914 C LEU A 66 -7.279 -2.548 10.122 1.00 0.00 C ATOM 915 O LEU A 66 -7.614 -3.687 9.798 1.00 0.00 O ATOM 916 CB LEU A 66 -7.848 -1.131 8.037 1.00 0.00 C ATOM 917 CG LEU A 66 -8.746 -0.104 7.292 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.292 0.046 5.832 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.240 -0.461 7.351 1.00 0.00 C ATOM 0 H LEU A 66 -7.387 0.653 9.744 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.135 -1.637 9.741 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.810 -0.825 7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.960 -2.096 7.543 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.628 0.848 7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.931 0.769 5.325 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.259 0.394 5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.363 -0.918 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.816 0.293 6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.400 -1.436 6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.566 -0.493 8.391 1.00 0.00 H new ATOM 931 N THR A 67 -6.262 -2.345 10.986 1.00 0.00 N ATOM 932 CA THR A 67 -5.683 -3.429 11.838 1.00 0.00 C ATOM 933 C THR A 67 -6.678 -3.894 12.961 1.00 0.00 C ATOM 934 O THR A 67 -7.015 -5.079 13.005 1.00 0.00 O ATOM 935 CB THR A 67 -4.286 -3.008 12.400 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.429 -2.518 11.374 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.511 -4.166 13.050 1.00 0.00 C ATOM 0 H THR A 67 -5.816 -1.437 11.119 1.00 0.00 H new ATOM 0 HA THR A 67 -5.524 -4.303 11.206 1.00 0.00 H new ATOM 0 HB THR A 67 -4.525 -2.244 13.140 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.619 -1.570 11.214 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.552 -3.801 13.417 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.089 -4.569 13.882 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.342 -4.950 12.312 1.00 0.00 H new ATOM 945 N ASN A 68 -7.151 -2.989 13.846 1.00 0.00 N ATOM 946 CA ASN A 68 -8.250 -3.289 14.806 1.00 0.00 C ATOM 947 C ASN A 68 -9.163 -2.015 14.942 1.00 0.00 C ATOM 948 O ASN A 68 -8.741 -1.063 15.615 1.00 0.00 O ATOM 949 CB ASN A 68 -7.652 -3.779 16.155 1.00 0.00 C ATOM 950 CG ASN A 68 -8.677 -4.278 17.190 1.00 0.00 C ATOM 951 OD1 ASN A 68 -9.776 -3.756 17.353 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.342 -5.285 17.959 1.00 0.00 N ATOM 0 H ASN A 68 -6.790 -2.038 13.920 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.882 -4.100 14.445 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.947 -4.585 15.949 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.082 -2.962 16.598 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.989 -5.618 18.674 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.434 -5.735 17.843 1.00 0.00 H new ATOM 959 N PRO A 69 -10.409 -1.945 14.378 1.00 0.00 N ATOM 960 CA PRO A 69 -11.258 -0.724 14.486 1.00 0.00 C ATOM 961 C PRO A 69 -11.856 -0.389 15.890 1.00 0.00 C ATOM 962 O PRO A 69 -11.938 0.791 16.244 1.00 0.00 O ATOM 963 CB PRO A 69 -12.292 -0.900 13.356 1.00 0.00 C ATOM 964 CG PRO A 69 -12.244 -2.358 12.906 1.00 0.00 C ATOM 965 CD PRO A 69 -10.935 -2.948 13.431 1.00 0.00 C ATOM 0 HA PRO A 69 -10.653 0.175 14.369 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.291 -0.641 13.708 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -12.065 -0.235 12.523 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.099 -2.910 13.296 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.289 -2.427 11.819 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.105 -3.905 13.925 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.231 -3.129 12.619 1.00 0.00 H new ATOM 973 N LYS A 70 -12.223 -1.405 16.691 1.00 0.00 N ATOM 974 CA LYS A 70 -12.631 -1.226 18.117 1.00 0.00 C ATOM 975 C LYS A 70 -11.524 -0.739 19.112 1.00 0.00 C ATOM 976 O LYS A 70 -11.835 -0.011 20.057 1.00 0.00 O ATOM 977 CB LYS A 70 -13.318 -2.518 18.647 1.00 0.00 C ATOM 978 CG LYS A 70 -14.640 -2.965 17.969 1.00 0.00 C ATOM 979 CD LYS A 70 -14.454 -3.979 16.820 1.00 0.00 C ATOM 980 CE LYS A 70 -15.797 -4.454 16.246 1.00 0.00 C ATOM 981 NZ LYS A 70 -15.578 -5.511 15.242 1.00 0.00 N ATOM 0 H LYS A 70 -12.249 -2.376 16.379 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.333 -0.393 18.089 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.604 -3.337 18.560 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.517 -2.380 19.710 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.291 -3.405 18.724 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.152 -2.084 17.581 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.862 -3.523 16.027 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.891 -4.839 17.183 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.431 -4.831 17.049 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.324 -3.615 15.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.476 -5.728 14.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.883 -5.185 14.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.220 -6.367 15.712 1.00 0.00 H new ATOM 994 N ALA A 71 -10.254 -1.114 18.905 1.00 0.00 N ATOM 995 CA ALA A 71 -9.100 -0.517 19.634 1.00 0.00 C ATOM 996 C ALA A 71 -8.807 0.994 19.339 1.00 0.00 C ATOM 997 O ALA A 71 -8.570 1.756 20.280 1.00 0.00 O ATOM 998 CB ALA A 71 -7.878 -1.412 19.356 1.00 0.00 C ATOM 0 H ALA A 71 -9.987 -1.834 18.234 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.354 -0.495 20.694 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.007 -1.009 19.873 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.078 -2.422 19.714 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.683 -1.439 18.284 1.00 0.00 H new ATOM 1004 N VAL A 72 -8.831 1.434 18.064 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.657 2.877 17.692 1.00 0.00 C ATOM 1006 C VAL A 72 -9.918 3.755 18.017 1.00 0.00 C ATOM 1007 O VAL A 72 -9.760 4.814 18.634 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.139 2.999 16.214 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -8.042 4.452 15.683 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.743 2.363 16.015 1.00 0.00 C ATOM 0 H VAL A 72 -8.969 0.818 17.263 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.883 3.304 18.330 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.901 2.461 15.651 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.676 4.441 14.656 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.028 4.916 15.712 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.354 5.022 16.307 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.436 2.477 14.975 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.021 2.860 16.663 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.787 1.303 16.266 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.135 3.360 17.595 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.393 4.080 17.958 1.00 0.00 C ATOM 1022 C VAL A 73 -13.168 3.161 18.962 1.00 0.00 C ATOM 1023 O VAL A 73 -13.840 2.201 18.561 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.216 4.469 16.682 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.513 5.235 17.028 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.455 5.334 15.647 1.00 0.00 C ATOM 0 H VAL A 73 -11.284 2.545 17.000 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.186 5.034 18.442 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.430 3.497 16.236 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -15.046 5.481 16.110 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.146 4.612 17.659 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.263 6.153 17.559 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.109 5.550 14.802 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.144 6.269 16.113 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.576 4.793 15.297 1.00 0.00 H new ATOM 1036 N LYS A 74 -13.075 3.462 20.272 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.638 2.591 21.343 1.00 0.00 C ATOM 1038 C LYS A 74 -15.191 2.731 21.467 1.00 0.00 C ATOM 1039 O LYS A 74 -15.712 3.698 22.028 1.00 0.00 O ATOM 1040 CB LYS A 74 -12.858 2.902 22.650 1.00 0.00 C ATOM 1041 CG LYS A 74 -13.126 1.915 23.809 1.00 0.00 C ATOM 1042 CD LYS A 74 -12.299 2.248 25.066 1.00 0.00 C ATOM 1043 CE LYS A 74 -12.573 1.269 26.217 1.00 0.00 C ATOM 1044 NZ LYS A 74 -11.748 1.627 27.388 1.00 0.00 N ATOM 0 H LYS A 74 -12.615 4.302 20.623 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.502 1.537 21.099 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.791 2.902 22.429 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.115 3.908 22.980 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.187 1.932 24.060 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.893 0.902 23.481 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.238 2.226 24.817 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.529 3.262 25.392 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.629 1.294 26.484 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.349 0.250 25.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.938 0.961 28.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.741 1.581 27.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.983 2.592 27.696 1.00 0.00 H new ATOM 1057 N GLY A 75 -15.915 1.755 20.898 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.370 1.891 20.604 1.00 0.00 C ATOM 1059 C GLY A 75 -17.754 2.432 19.199 1.00 0.00 C ATOM 1060 O GLY A 75 -18.706 3.207 19.049 1.00 0.00 O ATOM 0 H GLY A 75 -15.523 0.853 20.627 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.835 0.913 20.730 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.808 2.551 21.353 1.00 0.00 H new ATOM 1064 N THR A 76 -17.066 1.950 18.154 1.00 0.00 N ATOM 1065 CA THR A 76 -17.514 2.091 16.742 1.00 0.00 C ATOM 1066 C THR A 76 -18.625 1.053 16.380 1.00 0.00 C ATOM 1067 O THR A 76 -18.462 -0.149 16.613 1.00 0.00 O ATOM 1068 CB THR A 76 -16.289 2.014 15.776 1.00 0.00 C ATOM 1069 OG1 THR A 76 -16.703 2.223 14.434 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.460 0.717 15.749 1.00 0.00 C ATOM 0 H THR A 76 -16.182 1.450 18.253 1.00 0.00 H new ATOM 0 HA THR A 76 -17.969 3.074 16.622 1.00 0.00 H new ATOM 0 HB THR A 76 -15.644 2.789 16.189 1.00 0.00 H new ATOM 0 HG1 THR A 76 -17.337 2.969 14.400 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.647 0.820 15.030 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.047 0.529 16.740 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.099 -0.117 15.458 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.717 1.490 15.724 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.695 0.547 15.086 1.00 0.00 C ATOM 1080 C LYS A 77 -20.255 -0.153 13.739 1.00 0.00 C ATOM 1081 O LYS A 77 -21.107 -0.585 12.956 1.00 0.00 O ATOM 1082 CB LYS A 77 -22.083 1.248 14.999 1.00 0.00 C ATOM 1083 CG LYS A 77 -22.199 2.478 14.062 1.00 0.00 C ATOM 1084 CD LYS A 77 -23.648 2.871 13.695 1.00 0.00 C ATOM 1085 CE LYS A 77 -24.151 2.353 12.333 1.00 0.00 C ATOM 1086 NZ LYS A 77 -24.306 0.883 12.303 1.00 0.00 N ATOM 0 H LYS A 77 -19.955 2.476 15.615 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.748 -0.320 15.745 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.815 0.508 14.677 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.367 1.561 16.004 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.715 3.330 14.540 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.648 2.273 13.144 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -24.315 2.501 14.474 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -23.724 3.958 13.701 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -25.109 2.820 12.103 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.453 2.657 11.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -24.646 0.589 11.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -23.388 0.433 12.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -24.993 0.591 13.027 1.00 0.00 H new ATOM 1099 N MET A 78 -18.940 -0.318 13.492 1.00 0.00 N ATOM 1100 CA MET A 78 -18.404 -1.078 12.336 1.00 0.00 C ATOM 1101 C MET A 78 -18.148 -2.562 12.739 1.00 0.00 C ATOM 1102 O MET A 78 -17.206 -2.860 13.481 1.00 0.00 O ATOM 1103 CB MET A 78 -17.131 -0.351 11.812 1.00 0.00 C ATOM 1104 CG MET A 78 -16.477 -1.059 10.609 1.00 0.00 C ATOM 1105 SD MET A 78 -15.676 0.115 9.443 1.00 0.00 S ATOM 1106 CE MET A 78 -13.996 -0.591 9.589 1.00 0.00 C ATOM 0 H MET A 78 -18.213 0.073 14.090 1.00 0.00 H new ATOM 0 HA MET A 78 -19.126 -1.110 11.520 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.394 0.667 11.526 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.404 -0.277 12.621 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.733 -1.769 10.971 1.00 0.00 H new ATOM 0 HG3 MET A 78 -17.234 -1.634 10.076 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.309 -0.031 8.954 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.664 -0.529 10.625 1.00 0.00 H new ATOM 0 HE3 MET A 78 -14.011 -1.634 9.274 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.947 -3.497 12.192 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.706 -4.954 12.371 1.00 0.00 C ATOM 1118 C ALA A 79 -17.605 -5.508 11.403 1.00 0.00 C ATOM 1119 O ALA A 79 -17.879 -6.144 10.380 1.00 0.00 O ATOM 1120 CB ALA A 79 -20.077 -5.647 12.246 1.00 0.00 C ATOM 0 H ALA A 79 -19.764 -3.277 11.623 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.287 -5.166 13.355 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.954 -6.723 12.370 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.748 -5.267 13.016 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.500 -5.442 11.263 1.00 0.00 H new ATOM 1126 N PHE A 80 -16.339 -5.242 11.761 1.00 0.00 N ATOM 1127 CA PHE A 80 -15.146 -5.690 11.000 1.00 0.00 C ATOM 1128 C PHE A 80 -14.013 -6.053 12.014 1.00 0.00 C ATOM 1129 O PHE A 80 -13.708 -5.286 12.935 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.734 -4.576 9.991 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.633 -4.993 9.001 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.938 -5.855 7.943 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.307 -4.594 9.202 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.925 -6.342 7.121 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -11.296 -5.074 8.372 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.605 -5.960 7.342 1.00 0.00 C ATOM 0 H PHE A 80 -16.105 -4.704 12.595 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.357 -6.584 10.414 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.615 -4.269 9.428 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.393 -3.704 10.550 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.963 -6.144 7.763 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -12.066 -3.911 10.004 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -13.164 -7.016 6.312 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.274 -4.760 8.527 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.818 -6.351 6.714 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.377 -7.222 11.837 1.00 0.00 N ATOM 1147 CA ALA A 81 -12.276 -7.679 12.727 1.00 0.00 C ATOM 1148 C ALA A 81 -10.889 -7.019 12.436 1.00 0.00 C ATOM 1149 O ALA A 81 -10.345 -6.346 13.316 1.00 0.00 O ATOM 1150 CB ALA A 81 -12.265 -9.221 12.680 1.00 0.00 C ATOM 0 H ALA A 81 -13.601 -7.875 11.086 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.469 -7.341 13.745 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.469 -9.599 13.322 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.225 -9.603 13.029 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -12.094 -9.553 11.656 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.316 -7.207 11.232 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.977 -6.658 10.906 1.00 0.00 C ATOM 1158 C GLY A 82 -8.338 -7.183 9.602 1.00 0.00 C ATOM 1159 O GLY A 82 -8.506 -8.342 9.214 1.00 0.00 O ATOM 0 H GLY A 82 -10.751 -7.730 10.472 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.056 -5.573 10.839 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.303 -6.878 11.734 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.529 -6.324 8.971 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.612 -6.713 7.867 1.00 0.00 C ATOM 1165 C LEU A 83 -5.163 -6.913 8.448 1.00 0.00 C ATOM 1166 O LEU A 83 -4.487 -5.900 8.682 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.623 -5.612 6.765 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.905 -5.411 5.919 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.720 -4.217 4.966 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -8.287 -6.653 5.096 1.00 0.00 C ATOM 0 H LEU A 83 -7.484 -5.332 9.205 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.942 -7.649 7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.394 -4.661 7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.805 -5.826 6.077 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.715 -5.224 6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.625 -4.081 4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.527 -3.315 5.546 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.877 -4.409 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.193 -6.447 4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.476 -6.899 4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.463 -7.494 5.767 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.621 -8.145 8.695 1.00 0.00 N ATOM 1183 CA PRO A 84 -3.282 -8.322 9.338 1.00 0.00 C ATOM 1184 C PRO A 84 -2.009 -7.937 8.512 1.00 0.00 C ATOM 1185 O PRO A 84 -1.039 -7.449 9.100 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.322 -9.798 9.780 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.293 -10.482 8.816 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.355 -9.419 8.534 1.00 0.00 C ATOM 0 HA PRO A 84 -3.152 -7.605 10.148 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.332 -10.251 9.728 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.661 -9.891 10.812 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.791 -10.795 7.901 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.732 -11.375 9.260 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.767 -9.520 7.530 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.190 -9.492 9.231 1.00 0.00 H new ATOM 1196 N LYS A 85 -2.010 -8.100 7.176 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.866 -7.715 6.307 1.00 0.00 C ATOM 1198 C LYS A 85 -0.844 -6.179 6.016 1.00 0.00 C ATOM 1199 O LYS A 85 -1.792 -5.618 5.452 1.00 0.00 O ATOM 1200 CB LYS A 85 -0.935 -8.509 4.972 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.731 -10.037 5.078 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.805 -10.735 3.703 1.00 0.00 C ATOM 1203 CE LYS A 85 -0.643 -12.265 3.759 1.00 0.00 C ATOM 1204 NZ LYS A 85 0.747 -12.667 4.064 1.00 0.00 N ATOM 0 H LYS A 85 -2.796 -8.500 6.664 1.00 0.00 H new ATOM 0 HA LYS A 85 0.054 -7.960 6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.906 -8.324 4.512 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.180 -8.108 4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.237 -10.241 5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.490 -10.458 5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.764 -10.500 3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.030 -10.323 3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.312 -12.672 4.517 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.943 -12.696 2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.810 -13.705 4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.384 -12.301 3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.026 -12.278 4.987 1.00 0.00 H new ATOM 1217 N ILE A 86 0.287 -5.524 6.331 1.00 0.00 N ATOM 1218 CA ILE A 86 0.599 -4.130 5.865 1.00 0.00 C ATOM 1219 C ILE A 86 0.457 -3.874 4.322 1.00 0.00 C ATOM 1220 O ILE A 86 -0.155 -2.878 3.933 1.00 0.00 O ATOM 1221 CB ILE A 86 1.975 -3.657 6.454 1.00 0.00 C ATOM 1222 CG1 ILE A 86 2.319 -2.159 6.202 1.00 0.00 C ATOM 1223 CG2 ILE A 86 3.192 -4.508 5.996 1.00 0.00 C ATOM 1224 CD1 ILE A 86 1.367 -1.135 6.841 1.00 0.00 C ATOM 0 H ILE A 86 1.019 -5.931 6.913 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.191 -3.497 6.271 1.00 0.00 H new ATOM 0 HB ILE A 86 1.811 -3.802 7.522 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.326 -1.970 6.573 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.338 -1.987 5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.102 -4.114 6.448 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.050 -5.543 6.308 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.278 -4.465 4.910 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.703 -0.126 6.600 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.359 -1.284 6.454 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.363 -1.267 7.923 1.00 0.00 H new ATOM 1236 N GLU A 87 0.966 -4.785 3.467 1.00 0.00 N ATOM 1237 CA GLU A 87 0.715 -4.767 1.996 1.00 0.00 C ATOM 1238 C GLU A 87 -0.793 -4.723 1.577 1.00 0.00 C ATOM 1239 O GLU A 87 -1.156 -3.866 0.774 1.00 0.00 O ATOM 1240 CB GLU A 87 1.450 -5.962 1.325 1.00 0.00 C ATOM 1241 CG GLU A 87 2.997 -5.874 1.309 1.00 0.00 C ATOM 1242 CD GLU A 87 3.669 -7.086 0.674 1.00 0.00 C ATOM 1243 OE1 GLU A 87 3.857 -8.101 1.563 1.00 0.00 O ATOM 1244 OE2 GLU A 87 4.005 -7.142 -0.504 1.00 0.00 O ATOM 0 H GLU A 87 1.562 -5.556 3.768 1.00 0.00 H new ATOM 0 HA GLU A 87 1.120 -3.821 1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.162 -6.878 1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.099 -6.050 0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.296 -4.977 0.767 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.357 -5.763 2.332 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.676 -5.572 2.145 1.00 0.00 N ATOM 1252 CA ASP A 88 -3.155 -5.465 1.939 1.00 0.00 C ATOM 1253 C ASP A 88 -3.801 -4.107 2.388 1.00 0.00 C ATOM 1254 O ASP A 88 -4.597 -3.535 1.637 1.00 0.00 O ATOM 1255 CB ASP A 88 -3.868 -6.675 2.608 1.00 0.00 C ATOM 1256 CG ASP A 88 -3.610 -8.056 1.994 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -3.002 -8.244 0.944 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -4.147 -9.053 2.757 1.00 0.00 O ATOM 0 H ASP A 88 -1.400 -6.343 2.752 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.304 -5.485 0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.570 -6.708 3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.942 -6.490 2.588 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.435 -3.579 3.574 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.818 -2.205 4.016 1.00 0.00 C ATOM 1265 C ARG A 89 -3.302 -1.049 3.090 1.00 0.00 C ATOM 1266 O ARG A 89 -4.109 -0.243 2.619 1.00 0.00 O ATOM 1267 CB ARG A 89 -3.384 -1.986 5.495 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.925 -3.007 6.529 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.770 -2.612 8.009 1.00 0.00 C ATOM 1270 NE ARG A 89 -2.351 -2.476 8.453 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.616 -3.430 9.019 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -1.998 -4.671 9.140 1.00 0.00 N ATOM 1273 NH2 ARG A 89 -0.450 -3.097 9.481 1.00 0.00 N ATOM 0 H ARG A 89 -2.868 -4.083 4.256 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.904 -2.152 3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.295 -2.001 5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.702 -0.989 5.801 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.983 -3.174 6.327 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.416 -3.958 6.372 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.286 -1.667 8.179 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.264 -3.360 8.628 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.905 -1.570 8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.911 -4.960 8.789 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.384 -5.353 9.585 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.127 -2.133 9.403 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.143 -3.800 9.922 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.987 -0.987 2.799 1.00 0.00 N ATOM 1288 CA ALA A 90 -1.409 -0.041 1.808 1.00 0.00 C ATOM 1289 C ALA A 90 -1.918 -0.160 0.329 1.00 0.00 C ATOM 1290 O ALA A 90 -2.177 0.875 -0.290 1.00 0.00 O ATOM 1291 CB ALA A 90 0.119 -0.181 1.934 1.00 0.00 C ATOM 0 H ALA A 90 -1.292 -1.588 3.241 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.758 0.963 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.605 0.492 1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.425 0.074 2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.410 -1.208 1.715 1.00 0.00 H new ATOM 1297 N ASN A 91 -2.134 -1.376 -0.219 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.845 -1.580 -1.519 1.00 0.00 C ATOM 1299 C ASN A 91 -4.307 -1.017 -1.549 1.00 0.00 C ATOM 1300 O ASN A 91 -4.654 -0.286 -2.480 1.00 0.00 O ATOM 1301 CB ASN A 91 -2.831 -3.088 -1.904 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.490 -3.703 -2.321 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -0.559 -3.045 -2.770 1.00 0.00 O ATOM 1304 ND2 ASN A 91 -1.362 -5.004 -2.237 1.00 0.00 N ATOM 0 H ASN A 91 -1.826 -2.245 0.218 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.294 -0.999 -2.259 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.210 -3.655 -1.054 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.536 -3.232 -2.723 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.498 -5.452 -2.543 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.126 -5.569 -1.866 1.00 0.00 H new ATOM 1311 N LEU A 92 -5.144 -1.314 -0.531 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.461 -0.638 -0.332 1.00 0.00 C ATOM 1313 C LEU A 92 -6.397 0.923 -0.204 1.00 0.00 C ATOM 1314 O LEU A 92 -7.186 1.613 -0.852 1.00 0.00 O ATOM 1315 CB LEU A 92 -7.172 -1.340 0.860 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.685 -1.027 1.031 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.418 -2.190 1.712 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -8.944 0.240 1.862 1.00 0.00 C ATOM 0 H LEU A 92 -4.936 -2.021 0.174 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.052 -0.755 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.055 -2.417 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.657 -1.061 1.780 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.063 -0.871 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.474 -1.942 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.316 -3.090 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.986 -2.365 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.018 0.406 1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.517 0.116 2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.481 1.097 1.372 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.472 1.485 0.594 1.00 0.00 N ATOM 1331 CA ILE A 93 -5.255 2.962 0.696 1.00 0.00 C ATOM 1332 C ILE A 93 -4.736 3.610 -0.645 1.00 0.00 C ATOM 1333 O ILE A 93 -5.269 4.650 -1.037 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.408 3.243 1.990 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -5.162 2.845 3.303 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.940 4.717 2.110 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -4.277 2.687 4.550 1.00 0.00 C ATOM 0 H ILE A 93 -4.849 0.940 1.190 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.204 3.484 0.821 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.528 2.610 1.876 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.920 3.601 3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.687 1.906 3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.361 4.842 3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.320 4.973 1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.810 5.374 2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.897 2.411 5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.535 1.909 4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.771 3.630 4.759 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.782 2.998 -1.379 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.498 3.345 -2.803 1.00 0.00 C ATOM 1351 C ALA A 94 -4.706 3.277 -3.803 1.00 0.00 C ATOM 1352 O ALA A 94 -4.890 4.208 -4.593 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.325 2.451 -3.251 1.00 0.00 C ATOM 0 H ALA A 94 -3.187 2.255 -1.012 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.251 4.406 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.079 2.668 -4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.456 2.649 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.610 1.403 -3.157 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.565 2.237 -3.731 1.00 0.00 N ATOM 1360 CA TYR A 95 -6.920 2.253 -4.358 1.00 0.00 C ATOM 1361 C TYR A 95 -7.848 3.441 -3.917 1.00 0.00 C ATOM 1362 O TYR A 95 -8.349 4.145 -4.792 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.542 0.838 -4.177 1.00 0.00 C ATOM 1364 CG TYR A 95 -8.917 0.601 -4.821 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -9.076 0.686 -6.209 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.031 0.331 -4.018 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.339 0.559 -6.779 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.290 0.183 -4.595 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.446 0.322 -5.970 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.702 0.332 -6.516 1.00 0.00 O ATOM 0 H TYR A 95 -5.349 1.367 -3.243 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.812 2.466 -5.422 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.845 0.105 -4.584 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.627 0.638 -3.109 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.215 0.851 -6.840 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.914 0.237 -2.948 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.460 0.644 -7.849 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.145 -0.040 -3.974 1.00 0.00 H new ATOM 0 HH TYR A 95 -12.876 1.207 -6.921 1.00 0.00 H new ATOM 1380 N LEU A 96 -8.034 3.717 -2.612 1.00 0.00 N ATOM 1381 CA LEU A 96 -8.734 4.949 -2.127 1.00 0.00 C ATOM 1382 C LEU A 96 -8.129 6.335 -2.558 1.00 0.00 C ATOM 1383 O LEU A 96 -8.894 7.271 -2.794 1.00 0.00 O ATOM 1384 CB LEU A 96 -8.900 4.879 -0.584 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.810 3.765 -0.001 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.656 3.716 1.529 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -11.290 3.973 -0.370 1.00 0.00 C ATOM 0 H LEU A 96 -7.711 3.107 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.697 4.931 -2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.909 4.764 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.289 5.839 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.493 2.818 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.297 2.933 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.618 3.504 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.945 4.677 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.888 3.170 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.632 4.930 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.399 3.967 -1.455 1.00 0.00 H new ATOM 1399 N GLU A 97 -6.797 6.478 -2.695 1.00 0.00 N ATOM 1400 CA GLU A 97 -6.157 7.645 -3.382 1.00 0.00 C ATOM 1401 C GLU A 97 -6.450 7.788 -4.920 1.00 0.00 C ATOM 1402 O GLU A 97 -6.572 8.918 -5.398 1.00 0.00 O ATOM 1403 CB GLU A 97 -4.628 7.614 -3.097 1.00 0.00 C ATOM 1404 CG GLU A 97 -4.221 7.870 -1.623 1.00 0.00 C ATOM 1405 CD GLU A 97 -2.724 7.746 -1.357 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -2.327 6.451 -1.213 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -1.964 8.704 -1.269 1.00 0.00 O ATOM 0 H GLU A 97 -6.126 5.798 -2.338 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.621 8.536 -2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.239 6.642 -3.400 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.143 8.361 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.548 8.869 -1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.752 7.165 -0.984 1.00 0.00 H new ATOM 1414 N GLY A 98 -6.611 6.690 -5.684 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.322 6.732 -6.998 1.00 0.00 C ATOM 1416 C GLY A 98 -8.855 6.993 -6.979 1.00 0.00 C ATOM 1417 O GLY A 98 -9.365 7.741 -7.813 1.00 0.00 O ATOM 0 H GLY A 98 -6.265 5.766 -5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.857 7.507 -7.607 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.149 5.782 -7.504 1.00 0.00 H new ATOM 1421 N GLN A 99 -9.588 6.377 -6.040 1.00 0.00 N ATOM 1422 CA GLN A 99 -11.058 6.562 -5.856 1.00 0.00 C ATOM 1423 C GLN A 99 -11.373 7.763 -4.897 1.00 0.00 C ATOM 1424 O GLN A 99 -11.888 7.609 -3.783 1.00 0.00 O ATOM 1425 CB GLN A 99 -11.662 5.221 -5.341 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.389 3.914 -6.139 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.167 3.662 -7.433 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -12.964 2.731 -7.535 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -11.910 4.410 -8.478 1.00 0.00 N ATOM 0 H GLN A 99 -9.182 5.724 -5.370 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.520 6.817 -6.810 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.301 5.067 -4.324 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.743 5.349 -5.280 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.327 3.893 -6.383 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.579 3.074 -5.471 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.250 5.184 -8.401 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.370 4.218 -9.368 1.00 0.00 H new ATOM 1438 N GLN A 100 -11.042 8.966 -5.373 1.00 0.00 N ATOM 1439 CA GLN A 100 -11.285 10.239 -4.646 1.00 0.00 C ATOM 1440 C GLN A 100 -12.557 10.932 -5.200 1.00 0.00 C ATOM 1441 O GLN A 100 -12.482 11.679 -6.204 1.00 0.00 O ATOM 1442 CB GLN A 100 -10.004 11.118 -4.685 1.00 0.00 C ATOM 1443 CG GLN A 100 -8.832 10.661 -3.779 1.00 0.00 C ATOM 1444 CD GLN A 100 -9.022 10.882 -2.275 1.00 0.00 C ATOM 1445 OE1 GLN A 100 -9.058 12.001 -1.775 1.00 0.00 O ATOM 1446 NE2 GLN A 100 -9.133 9.841 -1.490 1.00 0.00 N ATOM 1447 OXT GLN A 100 -13.648 10.727 -4.616 1.00 0.00 O ATOM 0 H GLN A 100 -10.594 9.097 -6.280 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.488 10.051 -3.592 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.646 11.157 -5.714 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.278 12.135 -4.404 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.658 9.599 -3.951 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.930 11.186 -4.093 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.106 8.900 -1.883 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.247 9.970 -0.485 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 -16.374 0.191 7.447 1.00 0.00 FE HETATM 1458 CHA HEC A 101 -16.777 3.150 9.143 1.00 0.00 C HETATM 1459 CHB HEC A 101 -13.428 1.702 6.391 1.00 0.00 C HETATM 1460 CHC HEC A 101 -15.515 -2.731 6.218 1.00 0.00 C HETATM 1461 CHD HEC A 101 -19.229 -0.982 8.225 1.00 0.00 C HETATM 1462 NA HEC A 101 -15.303 1.849 7.829 1.00 0.00 N HETATM 1463 C1A HEC A 101 -15.631 2.944 8.490 1.00 0.00 C HETATM 1464 C2A HEC A 101 -14.757 3.986 8.464 1.00 0.00 C HETATM 1465 C3A HEC A 101 -13.767 3.544 7.709 1.00 0.00 C HETATM 1466 C4A HEC A 101 -14.185 2.317 7.300 1.00 0.00 C HETATM 1467 CMA HEC A 101 -12.500 4.365 7.389 1.00 0.00 C HETATM 1468 CAA HEC A 101 -14.834 5.415 9.065 1.00 0.00 C HETATM 1469 CBA HEC A 101 -15.667 6.377 8.180 1.00 0.00 C HETATM 1470 CGA HEC A 101 -15.755 7.843 8.636 1.00 0.00 C HETATM 1471 O1A HEC A 101 -15.572 8.141 9.840 1.00 0.00 O HETATM 1472 O2A HEC A 101 -16.007 8.714 7.774 1.00 0.00 O HETATM 1473 NB HEC A 101 -14.863 -0.327 6.476 1.00 0.00 N HETATM 1474 C1B HEC A 101 -13.741 0.354 5.922 1.00 0.00 C HETATM 1475 C2B HEC A 101 -12.965 -0.393 5.042 1.00 0.00 C HETATM 1476 C3B HEC A 101 -13.459 -1.680 5.098 1.00 0.00 C HETATM 1477 C4B HEC A 101 -14.566 -1.626 5.971 1.00 0.00 C HETATM 1478 CMB HEC A 101 -11.831 0.094 4.131 1.00 0.00 C HETATM 1479 CAB HEC A 101 -12.964 -2.899 4.284 1.00 0.00 C HETATM 1480 CBB HEC A 101 -11.584 -3.395 4.742 1.00 0.00 C HETATM 1481 NC HEC A 101 -17.093 -1.531 7.454 1.00 0.00 N HETATM 1482 C1C HEC A 101 -16.690 -2.601 6.848 1.00 0.00 C HETATM 1483 C2C HEC A 101 -17.593 -3.610 6.816 1.00 0.00 C HETATM 1484 C3C HEC A 101 -18.705 -3.086 7.336 1.00 0.00 C HETATM 1485 C4C HEC A 101 -18.334 -1.829 7.690 1.00 0.00 C HETATM 1486 CMC HEC A 101 -17.497 -5.037 6.249 1.00 0.00 C HETATM 1487 CAC HEC A 101 -20.113 -3.744 7.286 1.00 0.00 C HETATM 1488 CBC HEC A 101 -20.257 -5.053 8.077 1.00 0.00 C HETATM 1489 ND HEC A 101 -17.758 1.020 8.303 1.00 0.00 N HETATM 1490 C1D HEC A 101 -18.980 0.411 8.635 1.00 0.00 C HETATM 1491 C2D HEC A 101 -19.794 1.163 9.497 1.00 0.00 C HETATM 1492 C3D HEC A 101 -19.093 2.314 9.786 1.00 0.00 C HETATM 1493 C4D HEC A 101 -17.888 2.200 9.084 1.00 0.00 C HETATM 1494 CMD HEC A 101 -21.169 0.773 10.052 1.00 0.00 C HETATM 1495 CAD HEC A 101 -19.515 3.441 10.751 1.00 0.00 C HETATM 1496 CBD HEC A 101 -18.881 3.277 12.153 1.00 0.00 C HETATM 1497 CGD HEC A 101 -19.273 4.296 13.229 1.00 0.00 C HETATM 1498 O1D HEC A 101 -20.310 4.980 13.100 1.00 0.00 O HETATM 1499 O2D HEC A 101 -18.553 4.388 14.244 1.00 0.00 O HETATM 0 HMD3 HEC A 101 -21.863 0.616 9.227 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 -21.080 -0.146 10.631 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 -21.542 1.571 10.693 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 -17.290 -4.991 5.180 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 -16.693 -5.575 6.751 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 -18.440 -5.558 6.414 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 -12.216 0.843 3.439 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 -11.040 0.534 4.738 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 -11.430 -0.748 3.568 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 -12.782 5.284 6.875 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 -11.983 4.612 8.316 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 -11.839 3.780 6.750 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 -19.134 2.283 12.523 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 -17.798 3.308 12.038 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 -19.557 -5.792 7.687 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 -20.041 -4.868 9.129 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 -21.275 -5.429 7.977 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 -10.853 -2.595 4.624 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 -11.633 -3.691 5.790 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 -11.286 -4.251 4.137 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 -15.249 6.360 7.174 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 -16.681 5.982 8.111 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 -19.223 4.404 10.332 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 -20.601 3.450 10.844 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 -15.275 5.366 10.060 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 -13.826 5.813 9.183 1.00 0.00 H new HETATM 0 HHD HEC A 101 -20.240 -1.363 8.370 1.00 0.00 H new HETATM 0 HHC HEC A 101 -15.239 -3.724 5.862 1.00 0.00 H new HETATM 0 HHB HEC A 101 -12.556 2.217 5.988 1.00 0.00 H new HETATM 0 HHA HEC A 101 -16.889 4.055 9.740 1.00 0.00 H new HETATM 0 H2D HEC A 101 -19.118 4.496 15.037 1.00 0.00 H new HETATM 0 H2A HEC A 101 -16.970 8.896 7.765 1.00 0.00 H new