USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 883 hydrogens (36 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 105 IMD HN3 : A 105 IMD N3 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 52 ASN : amide:sc= 1.19 K(o=3.4,f=1.9) USER MOD Set 1.2: A 110 HEC O2A : rot -18:sc= 2.2! USER MOD Set 2.1: A 87 LYS NZ :NH3+ -158:sc= 0.00325 (180deg=0) USER MOD Set 2.2: A 89 THR OG1 : rot -140:sc= 0.0548 USER MOD Set 3.1: A 67 TYR OH : rot 168:sc= 0 USER MOD Set 3.2: A 78 THR OG1 : rot 180:sc= -0.0442 USER MOD Single : A 1 GLY N :NH3+ 162:sc= 1.31 (180deg=0.982) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -150:sc= 1.15 (180deg=0.516) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= 1.17 (180deg=0.5) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 19 THR OG1 : rot -159:sc= 0.952 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.982 K(o=-0.98,f=-4.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.746 K(o=0.75,f=-4.5!) USER MOD Single : A 33 HIS : no HD1:sc=-0.00257 X(o=-0.0026,f=-0.13) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 130:sc= 1.32 USER MOD Single : A 42 GLN : amide:sc= -0.183 K(o=-0.18,f=-2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc=-0.00319 X(o=-0.0032,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= 0.666 (180deg=0.19) USER MOD Single : A 58 THR OG1 : rot 29:sc= 0.158 USER MOD Single : A 60 LYS NZ :NH3+ -139:sc= -0.246 (180deg=-1.1) USER MOD Single : A 63 THR OG1 : rot -16:sc= 1.61 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.839 K(o=-0.84,f=-2.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 155:sc= -0.335 (180deg=-2.03) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -115:sc= 1.14 USER MOD Single : A 99 LYS NZ :NH3+ 122:sc= 1.22 (180deg=-0.633) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -91:sc= 1.22 USER MOD Single : A 103 ASN : amide:sc= -0.0801 K(o=-0.08,f=-0.74) USER MOD Single : A 110 HEC O2D : rot 167:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.474 -3.814 -15.054 1.00 10.00 N ATOM 2 CA GLY A 1 -4.049 -3.821 -14.845 1.00 10.00 C ATOM 3 C GLY A 1 -3.631 -5.254 -15.121 1.00 10.00 C ATOM 4 O GLY A 1 -4.422 -6.168 -14.894 1.00 10.00 O ATOM 0 H1 GLY A 1 -5.887 -2.973 -14.602 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.675 -3.793 -16.074 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.890 -4.671 -14.637 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.546 -3.125 -15.516 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -3.796 -3.523 -13.828 1.00 10.00 H new ATOM 10 N ASP A 2 -2.465 -5.433 -15.704 1.00 10.00 N ATOM 11 CA ASP A 2 -1.868 -6.739 -15.922 1.00 10.00 C ATOM 12 C ASP A 2 -1.342 -7.327 -14.608 1.00 10.00 C ATOM 13 O ASP A 2 -0.507 -6.716 -13.943 1.00 10.00 O ATOM 14 CB ASP A 2 -0.702 -6.651 -16.902 1.00 10.00 C ATOM 15 CG ASP A 2 -0.283 -8.058 -17.290 1.00 10.00 C ATOM 16 OD1 ASP A 2 -1.167 -8.826 -17.721 1.00 10.00 O ATOM 17 OD2 ASP A 2 0.901 -8.374 -17.066 1.00 10.00 O ATOM 0 H ASP A 2 -1.892 -4.662 -16.047 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.648 -7.381 -16.331 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.995 -6.087 -17.787 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.134 -6.120 -16.447 1.00 10.00 H new ATOM 22 N VAL A 3 -1.794 -8.527 -14.239 1.00 10.00 N ATOM 23 CA VAL A 3 -1.309 -9.228 -13.053 1.00 10.00 C ATOM 24 C VAL A 3 0.186 -9.543 -13.183 1.00 10.00 C ATOM 25 O VAL A 3 0.936 -9.373 -12.221 1.00 10.00 O ATOM 26 CB VAL A 3 -2.153 -10.501 -12.833 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.605 -11.389 -11.706 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.604 -10.114 -12.514 1.00 10.00 C ATOM 0 H VAL A 3 -2.508 -9.039 -14.757 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.420 -8.589 -12.177 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.105 -11.078 -13.757 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.238 -12.269 -11.596 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.589 -11.701 -11.950 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.598 -10.828 -10.771 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -4.196 -11.016 -12.360 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.628 -9.505 -11.610 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.020 -9.545 -13.346 1.00 10.00 H new ATOM 38 N GLU A 4 0.628 -10.018 -14.352 1.00 10.00 N ATOM 39 CA GLU A 4 2.017 -10.418 -14.532 1.00 10.00 C ATOM 40 C GLU A 4 2.925 -9.212 -14.338 1.00 10.00 C ATOM 41 O GLU A 4 3.832 -9.242 -13.506 1.00 10.00 O ATOM 42 CB GLU A 4 2.244 -11.057 -15.909 1.00 10.00 C ATOM 43 CG GLU A 4 2.209 -12.591 -15.837 1.00 10.00 C ATOM 44 CD GLU A 4 3.356 -13.167 -15.012 1.00 10.00 C ATOM 45 OE1 GLU A 4 4.534 -12.963 -15.374 1.00 10.00 O ATOM 46 OE2 GLU A 4 3.055 -13.783 -13.965 1.00 10.00 O ATOM 0 H GLU A 4 0.044 -10.132 -15.180 1.00 10.00 H new ATOM 0 HA GLU A 4 2.259 -11.172 -13.783 1.00 10.00 H new ATOM 0 HB2 GLU A 4 1.479 -10.708 -16.603 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.206 -10.733 -16.306 1.00 10.00 H new ATOM 0 HG2 GLU A 4 1.260 -12.909 -15.405 1.00 10.00 H new ATOM 0 HG3 GLU A 4 2.252 -12.999 -16.847 1.00 10.00 H new ATOM 53 N LYS A 5 2.681 -8.137 -15.085 1.00 10.00 N ATOM 54 CA LYS A 5 3.431 -6.915 -14.911 1.00 10.00 C ATOM 55 C LYS A 5 3.310 -6.478 -13.463 1.00 10.00 C ATOM 56 O LYS A 5 4.332 -6.277 -12.826 1.00 10.00 O ATOM 57 CB LYS A 5 2.999 -5.830 -15.886 1.00 10.00 C ATOM 58 CG LYS A 5 3.330 -6.241 -17.323 1.00 10.00 C ATOM 59 CD LYS A 5 3.901 -5.079 -18.149 1.00 10.00 C ATOM 60 CE LYS A 5 5.404 -4.879 -17.876 1.00 10.00 C ATOM 61 NZ LYS A 5 6.076 -4.166 -18.983 1.00 10.00 N ATOM 0 H LYS A 5 1.968 -8.097 -15.814 1.00 10.00 H new ATOM 0 HA LYS A 5 4.481 -7.099 -15.140 1.00 10.00 H new ATOM 0 HB2 LYS A 5 1.928 -5.651 -15.790 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.502 -4.894 -15.644 1.00 10.00 H new ATOM 0 HG2 LYS A 5 4.050 -7.060 -17.307 1.00 10.00 H new ATOM 0 HG3 LYS A 5 2.429 -6.618 -17.807 1.00 10.00 H new ATOM 0 HD2 LYS A 5 3.745 -5.274 -19.210 1.00 10.00 H new ATOM 0 HD3 LYS A 5 3.362 -4.162 -17.911 1.00 10.00 H new ATOM 0 HE2 LYS A 5 5.533 -4.317 -16.951 1.00 10.00 H new ATOM 0 HE3 LYS A 5 5.878 -5.849 -17.728 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 7.085 -4.052 -18.760 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 5.975 -4.714 -19.861 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 5.641 -3.230 -19.108 1.00 10.00 H new ATOM 75 N GLY A 6 2.092 -6.407 -12.924 1.00 10.00 N ATOM 76 CA GLY A 6 1.830 -6.061 -11.538 1.00 10.00 C ATOM 77 C GLY A 6 2.751 -6.762 -10.538 1.00 10.00 C ATOM 78 O GLY A 6 3.279 -6.133 -9.616 1.00 10.00 O ATOM 0 H GLY A 6 1.243 -6.594 -13.458 1.00 10.00 H new ATOM 0 HA2 GLY A 6 1.933 -4.983 -11.417 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.796 -6.311 -11.301 1.00 10.00 H new ATOM 82 N LYS A 7 2.943 -8.071 -10.723 1.00 10.00 N ATOM 83 CA LYS A 7 3.804 -8.895 -9.905 1.00 10.00 C ATOM 84 C LYS A 7 5.195 -8.288 -9.968 1.00 10.00 C ATOM 85 O LYS A 7 5.802 -7.984 -8.942 1.00 10.00 O ATOM 86 CB LYS A 7 3.733 -10.332 -10.434 1.00 10.00 C ATOM 87 CG LYS A 7 4.548 -11.349 -9.629 1.00 10.00 C ATOM 88 CD LYS A 7 4.416 -12.752 -10.247 1.00 10.00 C ATOM 89 CE LYS A 7 5.181 -12.860 -11.578 1.00 10.00 C ATOM 90 NZ LYS A 7 4.935 -14.132 -12.287 1.00 10.00 N ATOM 0 H LYS A 7 2.485 -8.591 -11.471 1.00 10.00 H new ATOM 0 HA LYS A 7 3.503 -8.930 -8.858 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.690 -10.650 -10.446 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.081 -10.343 -11.467 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.596 -11.051 -9.609 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.202 -11.366 -8.596 1.00 10.00 H new ATOM 0 HD2 LYS A 7 4.796 -13.496 -9.547 1.00 10.00 H new ATOM 0 HD3 LYS A 7 3.363 -12.979 -10.413 1.00 10.00 H new ATOM 0 HE2 LYS A 7 4.894 -12.030 -12.223 1.00 10.00 H new ATOM 0 HE3 LYS A 7 6.249 -12.759 -11.385 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 5.776 -14.387 -12.844 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 4.737 -14.883 -11.595 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 4.119 -14.023 -12.923 1.00 10.00 H new ATOM 104 N LYS A 8 5.695 -8.077 -11.186 1.00 10.00 N ATOM 105 CA LYS A 8 7.015 -7.510 -11.345 1.00 10.00 C ATOM 106 C LYS A 8 7.076 -6.098 -10.768 1.00 10.00 C ATOM 107 O LYS A 8 8.045 -5.764 -10.106 1.00 10.00 O ATOM 108 CB LYS A 8 7.512 -7.565 -12.794 1.00 10.00 C ATOM 109 CG LYS A 8 7.197 -8.881 -13.517 1.00 10.00 C ATOM 110 CD LYS A 8 7.458 -10.161 -12.706 1.00 10.00 C ATOM 111 CE LYS A 8 8.963 -10.419 -12.529 1.00 10.00 C ATOM 112 NZ LYS A 8 9.241 -11.653 -11.763 1.00 10.00 N ATOM 0 H LYS A 8 5.208 -8.289 -12.057 1.00 10.00 H new ATOM 0 HA LYS A 8 7.703 -8.132 -10.772 1.00 10.00 H new ATOM 0 HB2 LYS A 8 7.065 -6.741 -13.351 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.591 -7.408 -12.803 1.00 10.00 H new ATOM 0 HG2 LYS A 8 6.149 -8.869 -13.816 1.00 10.00 H new ATOM 0 HG3 LYS A 8 7.789 -8.924 -14.431 1.00 10.00 H new ATOM 0 HD2 LYS A 8 6.985 -10.076 -11.728 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.999 -11.012 -13.209 1.00 10.00 H new ATOM 0 HE2 LYS A 8 9.434 -10.490 -13.510 1.00 10.00 H new ATOM 0 HE3 LYS A 8 9.416 -9.569 -12.019 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 10.269 -11.781 -11.672 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 8.816 -11.577 -10.817 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 8.833 -12.470 -12.261 1.00 10.00 H new ATOM 126 N ILE A 9 6.055 -5.270 -10.988 1.00 10.00 N ATOM 127 CA ILE A 9 5.996 -3.911 -10.498 1.00 10.00 C ATOM 128 C ILE A 9 6.194 -3.917 -8.993 1.00 10.00 C ATOM 129 O ILE A 9 7.151 -3.320 -8.512 1.00 10.00 O ATOM 130 CB ILE A 9 4.674 -3.256 -10.927 1.00 10.00 C ATOM 131 CG1 ILE A 9 4.674 -3.002 -12.442 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.437 -1.933 -10.201 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.367 -2.360 -12.903 1.00 10.00 C ATOM 0 H ILE A 9 5.231 -5.541 -11.525 1.00 10.00 H new ATOM 0 HA ILE A 9 6.796 -3.310 -10.931 1.00 10.00 H new ATOM 0 HB ILE A 9 3.871 -3.945 -10.663 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.511 -2.354 -12.703 1.00 10.00 H new ATOM 0 HG13 ILE A 9 4.824 -3.944 -12.970 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.492 -1.501 -10.531 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.399 -2.110 -9.126 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.250 -1.243 -10.427 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.403 -2.195 -13.980 1.00 10.00 H new ATOM 0 HD12 ILE A 9 2.533 -3.020 -12.665 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.231 -1.406 -12.394 1.00 10.00 H new ATOM 145 N PHE A 10 5.327 -4.608 -8.251 1.00 10.00 N ATOM 146 CA PHE A 10 5.462 -4.713 -6.804 1.00 10.00 C ATOM 147 C PHE A 10 6.913 -5.049 -6.420 1.00 10.00 C ATOM 148 O PHE A 10 7.514 -4.403 -5.558 1.00 10.00 O ATOM 149 CB PHE A 10 4.466 -5.758 -6.295 1.00 10.00 C ATOM 150 CG PHE A 10 4.524 -5.964 -4.798 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.819 -5.100 -3.941 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.353 -6.966 -4.260 1.00 10.00 C ATOM 153 CE1 PHE A 10 3.912 -5.262 -2.550 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.449 -7.124 -2.869 1.00 10.00 C ATOM 155 CZ PHE A 10 4.700 -6.296 -2.019 1.00 10.00 C ATOM 0 H PHE A 10 4.522 -5.104 -8.634 1.00 10.00 H new ATOM 0 HA PHE A 10 5.232 -3.758 -6.331 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.457 -5.453 -6.574 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.661 -6.708 -6.793 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.206 -4.312 -4.353 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.915 -7.613 -4.917 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.379 -4.593 -1.890 1.00 10.00 H new ATOM 0 HE2 PHE A 10 6.098 -7.881 -2.454 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.730 -6.455 -0.951 1.00 10.00 H new ATOM 165 N VAL A 11 7.493 -6.025 -7.123 1.00 10.00 N ATOM 166 CA VAL A 11 8.855 -6.497 -6.903 1.00 10.00 C ATOM 167 C VAL A 11 9.927 -5.482 -7.340 1.00 10.00 C ATOM 168 O VAL A 11 11.049 -5.503 -6.842 1.00 10.00 O ATOM 169 CB VAL A 11 9.024 -7.861 -7.595 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.448 -8.421 -7.483 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.064 -8.877 -6.969 1.00 10.00 C ATOM 0 H VAL A 11 7.015 -6.518 -7.877 1.00 10.00 H new ATOM 0 HA VAL A 11 9.010 -6.614 -5.830 1.00 10.00 H new ATOM 0 HB VAL A 11 8.807 -7.700 -8.651 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.501 -9.384 -7.991 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.149 -7.727 -7.946 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.707 -8.550 -6.432 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.185 -9.842 -7.460 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.285 -8.980 -5.907 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.037 -8.532 -7.094 1.00 10.00 H new ATOM 181 N GLN A 12 9.615 -4.614 -8.299 1.00 10.00 N ATOM 182 CA GLN A 12 10.539 -3.659 -8.896 1.00 10.00 C ATOM 183 C GLN A 12 10.312 -2.246 -8.368 1.00 10.00 C ATOM 184 O GLN A 12 10.975 -1.318 -8.836 1.00 10.00 O ATOM 185 CB GLN A 12 10.339 -3.668 -10.411 1.00 10.00 C ATOM 186 CG GLN A 12 10.779 -5.005 -11.024 1.00 10.00 C ATOM 187 CD GLN A 12 12.289 -5.078 -11.211 1.00 10.00 C ATOM 188 OE1 GLN A 12 12.820 -4.545 -12.178 1.00 10.00 O ATOM 189 NE2 GLN A 12 12.992 -5.736 -10.294 1.00 10.00 N ATOM 0 H GLN A 12 8.677 -4.556 -8.695 1.00 10.00 H new ATOM 0 HA GLN A 12 11.555 -3.954 -8.634 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.289 -3.487 -10.642 1.00 10.00 H new ATOM 0 HB3 GLN A 12 10.909 -2.855 -10.860 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.453 -5.823 -10.381 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.287 -5.141 -11.987 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.518 -6.168 -9.501 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.005 -5.809 -10.384 1.00 10.00 H new ATOM 198 N LYS A 13 9.316 -2.056 -7.504 1.00 10.00 N ATOM 199 CA LYS A 13 8.966 -0.784 -6.899 1.00 10.00 C ATOM 200 C LYS A 13 9.171 -0.873 -5.386 1.00 10.00 C ATOM 201 O LYS A 13 9.698 0.065 -4.791 1.00 10.00 O ATOM 202 CB LYS A 13 7.494 -0.442 -7.177 1.00 10.00 C ATOM 203 CG LYS A 13 7.100 0.185 -8.527 1.00 10.00 C ATOM 204 CD LYS A 13 7.796 -0.339 -9.784 1.00 10.00 C ATOM 205 CE LYS A 13 8.969 0.559 -10.184 1.00 10.00 C ATOM 206 NZ LYS A 13 9.921 -0.171 -11.037 1.00 10.00 N ATOM 0 H LYS A 13 8.711 -2.818 -7.198 1.00 10.00 H new ATOM 0 HA LYS A 13 9.601 -0.008 -7.326 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.919 -1.361 -7.064 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.164 0.239 -6.393 1.00 10.00 H new ATOM 0 HG2 LYS A 13 6.026 0.052 -8.658 1.00 10.00 H new ATOM 0 HG3 LYS A 13 7.283 1.258 -8.465 1.00 10.00 H new ATOM 0 HD2 LYS A 13 8.155 -1.353 -9.608 1.00 10.00 H new ATOM 0 HD3 LYS A 13 7.080 -0.392 -10.604 1.00 10.00 H new ATOM 0 HE2 LYS A 13 8.597 1.436 -10.715 1.00 10.00 H new ATOM 0 HE3 LYS A 13 9.478 0.920 -9.290 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 10.361 0.489 -11.709 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 10.658 -0.604 -10.444 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 9.418 -0.915 -11.561 1.00 10.00 H new ATOM 220 N CYS A 14 8.706 -1.965 -4.763 1.00 10.00 N ATOM 221 CA CYS A 14 8.616 -2.086 -3.315 1.00 10.00 C ATOM 222 C CYS A 14 9.447 -3.296 -2.845 1.00 10.00 C ATOM 223 O CYS A 14 10.572 -3.109 -2.391 1.00 10.00 O ATOM 224 CB CYS A 14 7.160 -2.072 -2.851 1.00 10.00 C ATOM 225 SG CYS A 14 5.910 -1.667 -4.147 1.00 10.00 S ATOM 0 H CYS A 14 8.381 -2.793 -5.262 1.00 10.00 H new ATOM 0 HA CYS A 14 9.058 -1.216 -2.830 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.921 -3.051 -2.435 1.00 10.00 H new ATOM 0 HB3 CYS A 14 7.063 -1.349 -2.041 1.00 10.00 H new ATOM 230 N ALA A 15 8.928 -4.524 -2.979 1.00 10.00 N ATOM 231 CA ALA A 15 9.553 -5.797 -2.585 1.00 10.00 C ATOM 232 C ALA A 15 10.295 -5.798 -1.240 1.00 10.00 C ATOM 233 O ALA A 15 9.783 -6.283 -0.237 1.00 10.00 O ATOM 234 CB ALA A 15 10.455 -6.331 -3.706 1.00 10.00 C ATOM 0 H ALA A 15 8.005 -4.665 -3.390 1.00 10.00 H new ATOM 0 HA ALA A 15 8.711 -6.470 -2.425 1.00 10.00 H new ATOM 0 HB1 ALA A 15 10.906 -7.272 -3.393 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.860 -6.495 -4.605 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.240 -5.605 -3.918 1.00 10.00 H new ATOM 240 N GLN A 16 11.524 -5.286 -1.192 1.00 10.00 N ATOM 241 CA GLN A 16 12.366 -5.260 -0.001 1.00 10.00 C ATOM 242 C GLN A 16 11.913 -4.106 0.909 1.00 10.00 C ATOM 243 O GLN A 16 12.706 -3.278 1.350 1.00 10.00 O ATOM 244 CB GLN A 16 13.845 -5.214 -0.449 1.00 10.00 C ATOM 245 CG GLN A 16 14.584 -6.541 -0.207 1.00 10.00 C ATOM 246 CD GLN A 16 15.394 -6.556 1.093 1.00 10.00 C ATOM 247 OE1 GLN A 16 15.000 -5.983 2.106 1.00 10.00 O ATOM 248 NE2 GLN A 16 16.542 -7.230 1.082 1.00 10.00 N ATOM 0 H GLN A 16 11.973 -4.866 -2.006 1.00 10.00 H new ATOM 0 HA GLN A 16 12.266 -6.160 0.606 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.891 -4.966 -1.510 1.00 10.00 H new ATOM 0 HB3 GLN A 16 14.357 -4.415 0.087 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.858 -7.354 -0.184 1.00 10.00 H new ATOM 0 HG3 GLN A 16 15.253 -6.734 -1.046 1.00 10.00 H new ATOM 0 HE21 GLN A 16 16.850 -7.698 0.230 1.00 10.00 H new ATOM 0 HE22 GLN A 16 17.113 -7.278 1.926 1.00 10.00 H new ATOM 257 N CYS A 17 10.612 -4.091 1.210 1.00 10.00 N ATOM 258 CA CYS A 17 9.953 -3.215 2.169 1.00 10.00 C ATOM 259 C CYS A 17 8.541 -3.728 2.476 1.00 10.00 C ATOM 260 O CYS A 17 8.097 -3.616 3.616 1.00 10.00 O ATOM 261 CB CYS A 17 9.911 -1.760 1.740 1.00 10.00 C ATOM 262 SG CYS A 17 9.598 -0.822 3.269 1.00 10.00 S ATOM 0 H CYS A 17 9.956 -4.730 0.761 1.00 10.00 H new ATOM 0 HA CYS A 17 10.559 -3.243 3.074 1.00 10.00 H new ATOM 0 HB2 CYS A 17 10.851 -1.458 1.278 1.00 10.00 H new ATOM 0 HB3 CYS A 17 9.125 -1.589 1.005 1.00 10.00 H new ATOM 267 N HIS A 18 7.836 -4.282 1.479 1.00 10.00 N ATOM 268 CA HIS A 18 6.513 -4.868 1.643 1.00 10.00 C ATOM 269 C HIS A 18 6.506 -6.310 1.196 1.00 10.00 C ATOM 270 O HIS A 18 7.138 -6.679 0.213 1.00 10.00 O ATOM 271 CB HIS A 18 5.502 -4.145 0.767 1.00 10.00 C ATOM 272 CG HIS A 18 4.864 -3.001 1.471 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.766 -3.073 2.294 1.00 10.00 N ATOM 274 CD2 HIS A 18 5.054 -1.703 1.126 1.00 10.00 C ATOM 275 CE1 HIS A 18 3.257 -1.833 2.370 1.00 10.00 C ATOM 276 NE2 HIS A 18 4.043 -0.950 1.711 1.00 10.00 N ATOM 0 H HIS A 18 8.183 -4.332 0.521 1.00 10.00 H new ATOM 0 HA HIS A 18 6.257 -4.785 2.699 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.997 -3.784 -0.134 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.732 -4.848 0.448 1.00 10.00 H new ATOM 0 HD1 HIS A 18 3.407 -3.908 2.758 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.851 -1.322 0.505 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.344 -1.575 2.887 1.00 10.00 H new ATOM 284 N THR A 19 5.651 -7.075 1.854 1.00 10.00 N ATOM 285 CA THR A 19 5.322 -8.426 1.492 1.00 10.00 C ATOM 286 C THR A 19 3.811 -8.431 1.258 1.00 10.00 C ATOM 287 O THR A 19 3.107 -7.642 1.888 1.00 10.00 O ATOM 288 CB THR A 19 5.742 -9.317 2.662 1.00 10.00 C ATOM 289 OG1 THR A 19 7.074 -9.068 3.071 1.00 10.00 O ATOM 290 CG2 THR A 19 5.638 -10.771 2.252 1.00 10.00 C ATOM 0 H THR A 19 5.154 -6.752 2.684 1.00 10.00 H new ATOM 0 HA THR A 19 5.824 -8.793 0.597 1.00 10.00 H new ATOM 0 HB THR A 19 5.076 -9.092 3.495 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.417 -9.845 3.560 1.00 10.00 H new ATOM 0 HG21 THR A 19 5.937 -11.406 3.086 1.00 10.00 H new ATOM 0 HG22 THR A 19 4.609 -10.998 1.974 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.293 -10.957 1.401 1.00 10.00 H new ATOM 298 N VAL A 20 3.317 -9.256 0.332 1.00 10.00 N ATOM 299 CA VAL A 20 1.891 -9.414 0.062 1.00 10.00 C ATOM 300 C VAL A 20 1.519 -10.898 0.039 1.00 10.00 C ATOM 301 O VAL A 20 0.571 -11.301 -0.629 1.00 10.00 O ATOM 302 CB VAL A 20 1.531 -8.698 -1.246 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.618 -7.179 -1.095 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.351 -9.147 -2.457 1.00 10.00 C ATOM 0 H VAL A 20 3.908 -9.841 -0.259 1.00 10.00 H new ATOM 0 HA VAL A 20 1.308 -8.953 0.859 1.00 10.00 H new ATOM 0 HB VAL A 20 0.500 -8.989 -1.445 1.00 10.00 H new ATOM 0 HG11 VAL A 20 1.357 -6.704 -2.040 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.926 -6.850 -0.320 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.634 -6.899 -0.817 1.00 10.00 H new ATOM 0 HG21 VAL A 20 2.032 -8.591 -3.339 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.408 -8.957 -2.271 1.00 10.00 H new ATOM 0 HG23 VAL A 20 2.198 -10.213 -2.625 1.00 10.00 H new ATOM 314 N GLU A 21 2.268 -11.696 0.795 1.00 10.00 N ATOM 315 CA GLU A 21 2.213 -13.145 0.793 1.00 10.00 C ATOM 316 C GLU A 21 1.889 -13.581 2.224 1.00 10.00 C ATOM 317 O GLU A 21 1.644 -12.738 3.083 1.00 10.00 O ATOM 318 CB GLU A 21 3.568 -13.693 0.310 1.00 10.00 C ATOM 319 CG GLU A 21 4.121 -13.011 -0.962 1.00 10.00 C ATOM 320 CD GLU A 21 3.305 -13.268 -2.234 1.00 10.00 C ATOM 321 OE1 GLU A 21 2.737 -14.376 -2.313 1.00 10.00 O ATOM 322 OE2 GLU A 21 3.304 -12.379 -3.122 1.00 10.00 O ATOM 0 H GLU A 21 2.957 -11.330 1.452 1.00 10.00 H new ATOM 0 HA GLU A 21 1.449 -13.533 0.120 1.00 10.00 H new ATOM 0 HB2 GLU A 21 4.297 -13.581 1.112 1.00 10.00 H new ATOM 0 HB3 GLU A 21 3.466 -14.761 0.119 1.00 10.00 H new ATOM 0 HG2 GLU A 21 4.170 -11.936 -0.789 1.00 10.00 H new ATOM 0 HG3 GLU A 21 5.142 -13.354 -1.127 1.00 10.00 H new ATOM 329 N LYS A 22 1.890 -14.884 2.504 1.00 10.00 N ATOM 330 CA LYS A 22 1.536 -15.380 3.824 1.00 10.00 C ATOM 331 C LYS A 22 2.655 -15.095 4.830 1.00 10.00 C ATOM 332 O LYS A 22 2.866 -13.959 5.249 1.00 10.00 O ATOM 333 CB LYS A 22 1.107 -16.850 3.703 1.00 10.00 C ATOM 334 CG LYS A 22 0.333 -17.319 4.938 1.00 10.00 C ATOM 335 CD LYS A 22 0.051 -18.822 4.807 1.00 10.00 C ATOM 336 CE LYS A 22 -1.136 -19.239 5.684 1.00 10.00 C ATOM 337 NZ LYS A 22 -1.506 -20.653 5.464 1.00 10.00 N ATOM 0 H LYS A 22 2.133 -15.611 1.831 1.00 10.00 H new ATOM 0 HA LYS A 22 0.676 -14.848 4.232 1.00 10.00 H new ATOM 0 HB2 LYS A 22 0.487 -16.976 2.816 1.00 10.00 H new ATOM 0 HB3 LYS A 22 1.989 -17.476 3.567 1.00 10.00 H new ATOM 0 HG2 LYS A 22 0.909 -17.121 5.842 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -0.602 -16.767 5.029 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -0.159 -19.067 3.766 1.00 10.00 H new ATOM 0 HD3 LYS A 22 0.937 -19.388 5.095 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -0.884 -19.087 6.734 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -1.992 -18.600 5.466 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -2.312 -20.900 6.073 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -1.770 -20.792 4.468 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -0.697 -21.264 5.696 1.00 10.00 H new ATOM 351 N GLY A 23 3.415 -16.115 5.216 1.00 10.00 N ATOM 352 CA GLY A 23 4.517 -15.974 6.158 1.00 10.00 C ATOM 353 C GLY A 23 5.753 -15.336 5.519 1.00 10.00 C ATOM 354 O GLY A 23 6.873 -15.749 5.811 1.00 10.00 O ATOM 0 H GLY A 23 3.281 -17.069 4.881 1.00 10.00 H new ATOM 0 HA2 GLY A 23 4.194 -15.366 7.003 1.00 10.00 H new ATOM 0 HA3 GLY A 23 4.781 -16.955 6.553 1.00 10.00 H new ATOM 358 N GLY A 24 5.583 -14.296 4.695 1.00 10.00 N ATOM 359 CA GLY A 24 6.692 -13.603 4.051 1.00 10.00 C ATOM 360 C GLY A 24 7.218 -12.446 4.904 1.00 10.00 C ATOM 361 O GLY A 24 7.769 -11.477 4.380 1.00 10.00 O ATOM 0 H GLY A 24 4.667 -13.914 4.459 1.00 10.00 H new ATOM 0 HA2 GLY A 24 7.500 -14.310 3.861 1.00 10.00 H new ATOM 0 HA3 GLY A 24 6.368 -13.221 3.083 1.00 10.00 H new ATOM 365 N LYS A 25 7.073 -12.580 6.225 1.00 10.00 N ATOM 366 CA LYS A 25 7.646 -11.708 7.239 1.00 10.00 C ATOM 367 C LYS A 25 7.068 -10.295 7.141 1.00 10.00 C ATOM 368 O LYS A 25 6.160 -10.047 6.350 1.00 10.00 O ATOM 369 CB LYS A 25 9.181 -11.771 7.180 1.00 10.00 C ATOM 370 CG LYS A 25 9.646 -13.227 7.343 1.00 10.00 C ATOM 371 CD LYS A 25 11.164 -13.361 7.183 1.00 10.00 C ATOM 372 CE LYS A 25 11.608 -14.721 7.745 1.00 10.00 C ATOM 373 NZ LYS A 25 12.948 -15.121 7.271 1.00 10.00 N ATOM 0 H LYS A 25 6.525 -13.339 6.630 1.00 10.00 H new ATOM 0 HA LYS A 25 7.364 -12.060 8.231 1.00 10.00 H new ATOM 0 HB2 LYS A 25 9.535 -11.370 6.230 1.00 10.00 H new ATOM 0 HB3 LYS A 25 9.611 -11.152 7.967 1.00 10.00 H new ATOM 0 HG2 LYS A 25 9.350 -13.595 8.325 1.00 10.00 H new ATOM 0 HG3 LYS A 25 9.146 -13.853 6.604 1.00 10.00 H new ATOM 0 HD2 LYS A 25 11.440 -13.280 6.132 1.00 10.00 H new ATOM 0 HD3 LYS A 25 11.671 -12.552 7.709 1.00 10.00 H new ATOM 0 HE2 LYS A 25 11.610 -14.677 8.834 1.00 10.00 H new ATOM 0 HE3 LYS A 25 10.883 -15.483 7.458 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 13.199 -16.044 7.679 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 12.943 -15.191 6.233 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 13.647 -14.410 7.566 1.00 10.00 H new ATOM 387 N HIS A 26 7.503 -9.389 8.017 1.00 10.00 N ATOM 388 CA HIS A 26 7.008 -8.020 8.091 1.00 10.00 C ATOM 389 C HIS A 26 8.262 -7.153 8.163 1.00 10.00 C ATOM 390 O HIS A 26 9.106 -7.396 9.026 1.00 10.00 O ATOM 391 CB HIS A 26 6.091 -7.834 9.319 1.00 10.00 C ATOM 392 CG HIS A 26 5.182 -9.005 9.635 1.00 10.00 C ATOM 393 ND1 HIS A 26 4.598 -9.861 8.726 1.00 10.00 N ATOM 394 CD2 HIS A 26 4.921 -9.502 10.885 1.00 10.00 C ATOM 395 CE1 HIS A 26 4.005 -10.850 9.415 1.00 10.00 C ATOM 396 NE2 HIS A 26 4.176 -10.676 10.735 1.00 10.00 N ATOM 0 H HIS A 26 8.225 -9.594 8.708 1.00 10.00 H new ATOM 0 HA HIS A 26 6.393 -7.748 7.233 1.00 10.00 H new ATOM 0 HB2 HIS A 26 6.715 -7.635 10.190 1.00 10.00 H new ATOM 0 HB3 HIS A 26 5.474 -6.950 9.160 1.00 10.00 H new ATOM 0 HD2 HIS A 26 5.235 -9.064 11.821 1.00 10.00 H new ATOM 0 HE1 HIS A 26 3.465 -11.672 8.968 1.00 10.00 H new ATOM 0 HE2 HIS A 26 3.831 -11.280 11.481 1.00 10.00 H new ATOM 404 N LYS A 27 8.444 -6.236 7.211 1.00 10.00 N ATOM 405 CA LYS A 27 9.632 -5.394 7.119 1.00 10.00 C ATOM 406 C LYS A 27 9.213 -3.977 7.536 1.00 10.00 C ATOM 407 O LYS A 27 8.315 -3.839 8.365 1.00 10.00 O ATOM 408 CB LYS A 27 10.211 -5.510 5.695 1.00 10.00 C ATOM 409 CG LYS A 27 10.632 -6.947 5.322 1.00 10.00 C ATOM 410 CD LYS A 27 12.004 -7.359 5.886 1.00 10.00 C ATOM 411 CE LYS A 27 13.147 -6.778 5.034 1.00 10.00 C ATOM 412 NZ LYS A 27 14.483 -7.052 5.602 1.00 10.00 N ATOM 0 H LYS A 27 7.761 -6.057 6.475 1.00 10.00 H new ATOM 0 HA LYS A 27 10.438 -5.700 7.786 1.00 10.00 H new ATOM 0 HB2 LYS A 27 9.468 -5.159 4.979 1.00 10.00 H new ATOM 0 HB3 LYS A 27 11.075 -4.851 5.607 1.00 10.00 H new ATOM 0 HG2 LYS A 27 9.876 -7.643 5.686 1.00 10.00 H new ATOM 0 HG3 LYS A 27 10.654 -7.039 4.236 1.00 10.00 H new ATOM 0 HD2 LYS A 27 12.098 -7.010 6.914 1.00 10.00 H new ATOM 0 HD3 LYS A 27 12.080 -8.446 5.910 1.00 10.00 H new ATOM 0 HE2 LYS A 27 13.092 -7.195 4.029 1.00 10.00 H new ATOM 0 HE3 LYS A 27 13.012 -5.701 4.940 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 15.213 -6.638 4.988 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 14.550 -6.631 6.551 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 14.628 -8.080 5.668 1.00 10.00 H new ATOM 426 N THR A 28 9.831 -2.920 6.995 1.00 10.00 N ATOM 427 CA THR A 28 9.384 -1.562 7.283 1.00 10.00 C ATOM 428 C THR A 28 7.909 -1.396 6.901 1.00 10.00 C ATOM 429 O THR A 28 7.139 -0.854 7.692 1.00 10.00 O ATOM 430 CB THR A 28 10.338 -0.521 6.672 1.00 10.00 C ATOM 431 OG1 THR A 28 11.591 -0.599 7.318 1.00 10.00 O ATOM 432 CG2 THR A 28 9.806 0.912 6.763 1.00 10.00 C ATOM 0 H THR A 28 10.631 -2.982 6.365 1.00 10.00 H new ATOM 0 HA THR A 28 9.430 -1.376 8.356 1.00 10.00 H new ATOM 0 HB THR A 28 10.431 -0.758 5.612 1.00 10.00 H new ATOM 0 HG1 THR A 28 12.201 0.062 6.929 1.00 10.00 H new ATOM 0 HG21 THR A 28 10.526 1.597 6.314 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.858 0.983 6.230 1.00 10.00 H new ATOM 0 HG23 THR A 28 9.655 1.178 7.809 1.00 10.00 H new ATOM 440 N GLY A 29 7.490 -1.870 5.723 1.00 10.00 N ATOM 441 CA GLY A 29 6.080 -1.921 5.381 1.00 10.00 C ATOM 442 C GLY A 29 5.461 -3.199 5.945 1.00 10.00 C ATOM 443 O GLY A 29 6.109 -4.249 5.937 1.00 10.00 O ATOM 0 H GLY A 29 8.113 -2.222 4.996 1.00 10.00 H new ATOM 0 HA2 GLY A 29 5.566 -1.048 5.783 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.957 -1.892 4.298 1.00 10.00 H new ATOM 447 N PRO A 30 4.215 -3.142 6.442 1.00 10.00 N ATOM 448 CA PRO A 30 3.557 -4.333 6.928 1.00 10.00 C ATOM 449 C PRO A 30 3.280 -5.303 5.782 1.00 10.00 C ATOM 450 O PRO A 30 3.132 -4.904 4.620 1.00 10.00 O ATOM 451 CB PRO A 30 2.284 -3.861 7.638 1.00 10.00 C ATOM 452 CG PRO A 30 2.007 -2.466 7.073 1.00 10.00 C ATOM 453 CD PRO A 30 3.373 -1.964 6.599 1.00 10.00 C ATOM 0 HA PRO A 30 4.181 -4.890 7.627 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.451 -4.537 7.445 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.424 -3.828 8.718 1.00 10.00 H new ATOM 0 HG2 PRO A 30 1.292 -2.506 6.251 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.584 -1.808 7.832 1.00 10.00 H new ATOM 0 HD2 PRO A 30 3.282 -1.424 5.657 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.805 -1.272 7.323 1.00 10.00 H new ATOM 461 N ASN A 31 3.223 -6.592 6.136 1.00 10.00 N ATOM 462 CA ASN A 31 2.804 -7.635 5.219 1.00 10.00 C ATOM 463 C ASN A 31 1.358 -7.374 4.843 1.00 10.00 C ATOM 464 O ASN A 31 0.450 -7.599 5.638 1.00 10.00 O ATOM 465 CB ASN A 31 2.946 -9.022 5.835 1.00 10.00 C ATOM 466 CG ASN A 31 2.495 -10.101 4.853 1.00 10.00 C ATOM 467 OD1 ASN A 31 2.841 -10.063 3.675 1.00 10.00 O ATOM 468 ND2 ASN A 31 1.731 -11.079 5.319 1.00 10.00 N ATOM 0 H ASN A 31 3.467 -6.931 7.066 1.00 10.00 H new ATOM 0 HA ASN A 31 3.444 -7.614 4.337 1.00 10.00 H new ATOM 0 HB2 ASN A 31 3.984 -9.194 6.119 1.00 10.00 H new ATOM 0 HB3 ASN A 31 2.352 -9.082 6.747 1.00 10.00 H new ATOM 0 HD21 ASN A 31 1.417 -11.822 4.695 1.00 10.00 H new ATOM 0 HD22 ASN A 31 1.457 -11.088 6.301 1.00 10.00 H new ATOM 475 N LEU A 32 1.179 -6.839 3.645 1.00 10.00 N ATOM 476 CA LEU A 32 -0.066 -6.260 3.189 1.00 10.00 C ATOM 477 C LEU A 32 -1.213 -7.279 3.212 1.00 10.00 C ATOM 478 O LEU A 32 -2.316 -6.946 3.633 1.00 10.00 O ATOM 479 CB LEU A 32 0.173 -5.717 1.780 1.00 10.00 C ATOM 480 CG LEU A 32 0.508 -4.229 1.697 1.00 10.00 C ATOM 481 CD1 LEU A 32 1.460 -4.022 0.510 1.00 10.00 C ATOM 482 CD2 LEU A 32 -0.754 -3.456 1.429 1.00 10.00 C ATOM 0 H LEU A 32 1.921 -6.797 2.946 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.371 -5.456 3.859 1.00 10.00 H new ATOM 0 HB2 LEU A 32 0.988 -6.281 1.325 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -0.718 -5.905 1.181 1.00 10.00 H new ATOM 0 HG LEU A 32 0.963 -3.891 2.628 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.715 -2.965 0.428 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.368 -4.604 0.666 1.00 10.00 H new ATOM 0 HD13 LEU A 32 0.973 -4.350 -0.408 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -0.523 -2.392 1.368 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -1.190 -3.787 0.487 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.464 -3.628 2.238 1.00 10.00 H new ATOM 494 N HIS A 33 -0.927 -8.488 2.711 1.00 10.00 N ATOM 495 CA HIS A 33 -1.742 -9.704 2.703 1.00 10.00 C ATOM 496 C HIS A 33 -3.087 -9.569 3.439 1.00 10.00 C ATOM 497 O HIS A 33 -3.144 -9.614 4.666 1.00 10.00 O ATOM 498 CB HIS A 33 -0.869 -10.843 3.235 1.00 10.00 C ATOM 499 CG HIS A 33 -1.404 -12.231 2.993 1.00 10.00 C ATOM 500 ND1 HIS A 33 -1.326 -12.958 1.822 1.00 10.00 N ATOM 501 CD2 HIS A 33 -1.837 -13.080 3.972 1.00 10.00 C ATOM 502 CE1 HIS A 33 -1.761 -14.203 2.091 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.071 -14.330 3.394 1.00 10.00 N ATOM 0 H HIS A 33 -0.029 -8.652 2.256 1.00 10.00 H new ATOM 0 HA HIS A 33 -2.053 -9.918 1.681 1.00 10.00 H new ATOM 0 HB2 HIS A 33 0.117 -10.767 2.778 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -0.735 -10.705 4.308 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -1.975 -12.828 5.013 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -1.849 -14.993 1.360 1.00 10.00 H new ATOM 0 HE2 HIS A 33 -2.409 -15.169 3.865 1.00 10.00 H new ATOM 511 N GLY A 34 -4.163 -9.385 2.669 1.00 10.00 N ATOM 512 CA GLY A 34 -5.488 -9.014 3.145 1.00 10.00 C ATOM 513 C GLY A 34 -5.671 -7.495 3.211 1.00 10.00 C ATOM 514 O GLY A 34 -6.444 -7.004 4.032 1.00 10.00 O ATOM 0 H GLY A 34 -4.128 -9.496 1.656 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.243 -9.441 2.485 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -5.650 -9.442 4.134 1.00 10.00 H new ATOM 518 N LEU A 35 -4.987 -6.752 2.330 1.00 10.00 N ATOM 519 CA LEU A 35 -5.122 -5.305 2.226 1.00 10.00 C ATOM 520 C LEU A 35 -6.584 -4.956 1.946 1.00 10.00 C ATOM 521 O LEU A 35 -7.240 -4.261 2.721 1.00 10.00 O ATOM 522 CB LEU A 35 -4.196 -4.779 1.108 1.00 10.00 C ATOM 523 CG LEU A 35 -4.298 -3.261 0.862 1.00 10.00 C ATOM 524 CD1 LEU A 35 -3.694 -2.417 1.987 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.703 -2.876 -0.487 1.00 10.00 C ATOM 0 H LEU A 35 -4.321 -7.148 1.667 1.00 10.00 H new ATOM 0 HA LEU A 35 -4.827 -4.830 3.162 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.165 -5.026 1.360 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.431 -5.302 0.181 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.364 -3.034 0.850 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -3.801 -1.359 1.746 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.213 -2.631 2.921 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -2.637 -2.659 2.096 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.791 -1.799 -0.629 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.651 -3.161 -0.516 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -4.241 -3.392 -1.282 1.00 10.00 H new ATOM 537 N PHE A 36 -7.090 -5.452 0.815 1.00 10.00 N ATOM 538 CA PHE A 36 -8.469 -5.245 0.414 1.00 10.00 C ATOM 539 C PHE A 36 -9.403 -5.926 1.406 1.00 10.00 C ATOM 540 O PHE A 36 -9.119 -7.026 1.874 1.00 10.00 O ATOM 541 CB PHE A 36 -8.704 -5.783 -1.001 1.00 10.00 C ATOM 542 CG PHE A 36 -7.740 -5.235 -2.032 1.00 10.00 C ATOM 543 CD1 PHE A 36 -7.953 -3.968 -2.595 1.00 10.00 C ATOM 544 CD2 PHE A 36 -6.580 -5.952 -2.355 1.00 10.00 C ATOM 545 CE1 PHE A 36 -6.990 -3.399 -3.449 1.00 10.00 C ATOM 546 CE2 PHE A 36 -5.607 -5.379 -3.187 1.00 10.00 C ATOM 547 CZ PHE A 36 -5.810 -4.104 -3.741 1.00 10.00 C ATOM 0 H PHE A 36 -6.547 -6.009 0.155 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.678 -4.175 0.409 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.624 -6.870 -0.984 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.723 -5.543 -1.306 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -8.860 -3.427 -2.372 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -6.435 -6.948 -1.963 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -7.157 -2.423 -3.879 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -4.698 -5.920 -3.403 1.00 10.00 H new ATOM 0 HZ PHE A 36 -5.063 -3.668 -4.388 1.00 10.00 H new ATOM 557 N GLY A 37 -10.525 -5.274 1.713 1.00 10.00 N ATOM 558 CA GLY A 37 -11.526 -5.791 2.632 1.00 10.00 C ATOM 559 C GLY A 37 -11.406 -5.105 3.988 1.00 10.00 C ATOM 560 O GLY A 37 -12.415 -4.711 4.570 1.00 10.00 O ATOM 0 H GLY A 37 -10.762 -4.362 1.323 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.523 -5.629 2.222 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.400 -6.867 2.749 1.00 10.00 H new ATOM 564 N ARG A 38 -10.180 -4.958 4.495 1.00 10.00 N ATOM 565 CA ARG A 38 -9.943 -4.383 5.809 1.00 10.00 C ATOM 566 C ARG A 38 -9.806 -2.854 5.712 1.00 10.00 C ATOM 567 O ARG A 38 -9.463 -2.307 4.662 1.00 10.00 O ATOM 568 CB ARG A 38 -8.743 -5.100 6.453 1.00 10.00 C ATOM 569 CG ARG A 38 -8.691 -4.914 7.981 1.00 10.00 C ATOM 570 CD ARG A 38 -8.330 -6.201 8.752 1.00 10.00 C ATOM 571 NE ARG A 38 -9.304 -6.478 9.826 1.00 10.00 N ATOM 572 CZ ARG A 38 -9.130 -7.342 10.841 1.00 10.00 C ATOM 573 NH1 ARG A 38 -7.976 -8.004 10.970 1.00 10.00 N ATOM 574 NH2 ARG A 38 -10.120 -7.545 11.720 1.00 10.00 N ATOM 0 H ARG A 38 -9.330 -5.235 4.004 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.794 -4.543 6.471 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.794 -6.164 6.222 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -7.820 -4.722 6.013 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -7.960 -4.142 8.219 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -9.660 -4.554 8.327 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -8.299 -7.044 8.061 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -7.332 -6.102 9.180 1.00 10.00 H new ATOM 0 HE ARG A 38 -10.187 -5.969 9.795 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -7.224 -7.854 10.297 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -7.847 -8.659 11.741 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -11.003 -7.045 11.618 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -9.991 -8.200 12.491 1.00 10.00 H new ATOM 588 N LYS A 39 -10.134 -2.153 6.803 1.00 10.00 N ATOM 589 CA LYS A 39 -9.933 -0.711 6.915 1.00 10.00 C ATOM 590 C LYS A 39 -8.448 -0.418 7.137 1.00 10.00 C ATOM 591 O LYS A 39 -7.665 -1.321 7.423 1.00 10.00 O ATOM 592 CB LYS A 39 -10.787 -0.137 8.065 1.00 10.00 C ATOM 593 CG LYS A 39 -11.918 0.767 7.550 1.00 10.00 C ATOM 594 CD LYS A 39 -13.005 -0.036 6.821 1.00 10.00 C ATOM 595 CE LYS A 39 -14.051 -0.627 7.778 1.00 10.00 C ATOM 596 NZ LYS A 39 -15.154 0.320 8.054 1.00 10.00 N ATOM 0 H LYS A 39 -10.548 -2.575 7.634 1.00 10.00 H new ATOM 0 HA LYS A 39 -10.251 -0.229 5.990 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.214 -0.957 8.643 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -10.149 0.432 8.741 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -12.363 1.304 8.387 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -11.505 1.516 6.874 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -13.504 0.610 6.098 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -12.537 -0.843 6.258 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -14.459 -1.542 7.348 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -13.568 -0.903 8.715 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -15.836 -0.121 8.704 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -14.770 1.183 8.489 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -15.633 0.564 7.164 1.00 10.00 H new ATOM 610 N THR A 40 -8.077 0.858 7.035 1.00 10.00 N ATOM 611 CA THR A 40 -6.704 1.303 7.191 1.00 10.00 C ATOM 612 C THR A 40 -6.117 0.963 8.556 1.00 10.00 C ATOM 613 O THR A 40 -5.244 0.108 8.684 1.00 10.00 O ATOM 614 CB THR A 40 -6.644 2.808 6.916 1.00 10.00 C ATOM 615 OG1 THR A 40 -7.585 3.471 7.746 1.00 10.00 O ATOM 616 CG2 THR A 40 -6.989 3.124 5.461 1.00 10.00 C ATOM 0 H THR A 40 -8.732 1.615 6.840 1.00 10.00 H new ATOM 0 HA THR A 40 -6.087 0.766 6.471 1.00 10.00 H new ATOM 0 HB THR A 40 -5.628 3.146 7.121 1.00 10.00 H new ATOM 0 HG1 THR A 40 -7.147 4.217 8.206 1.00 10.00 H new ATOM 0 HG21 THR A 40 -6.937 4.201 5.300 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.279 2.624 4.802 1.00 10.00 H new ATOM 0 HG23 THR A 40 -7.997 2.773 5.242 1.00 10.00 H new ATOM 624 N GLY A 41 -6.583 1.643 9.600 1.00 10.00 N ATOM 625 CA GLY A 41 -6.074 1.443 10.947 1.00 10.00 C ATOM 626 C GLY A 41 -6.678 0.192 11.581 1.00 10.00 C ATOM 627 O GLY A 41 -7.276 0.276 12.651 1.00 10.00 O ATOM 0 H GLY A 41 -7.321 2.344 9.533 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -4.988 1.353 10.919 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -6.306 2.314 11.560 1.00 10.00 H new ATOM 631 N GLN A 42 -6.529 -0.951 10.907 1.00 10.00 N ATOM 632 CA GLN A 42 -6.956 -2.275 11.345 1.00 10.00 C ATOM 633 C GLN A 42 -5.876 -3.286 10.946 1.00 10.00 C ATOM 634 O GLN A 42 -6.162 -4.327 10.359 1.00 10.00 O ATOM 635 CB GLN A 42 -8.322 -2.618 10.717 1.00 10.00 C ATOM 636 CG GLN A 42 -9.515 -1.959 11.417 1.00 10.00 C ATOM 637 CD GLN A 42 -9.891 -2.696 12.702 1.00 10.00 C ATOM 638 OE1 GLN A 42 -9.129 -2.735 13.659 1.00 10.00 O ATOM 639 NE2 GLN A 42 -11.071 -3.310 12.738 1.00 10.00 N ATOM 0 H GLN A 42 -6.082 -0.975 9.991 1.00 10.00 H new ATOM 0 HA GLN A 42 -7.081 -2.304 12.427 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.315 -2.314 9.670 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.456 -3.700 10.734 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -9.274 -0.922 11.649 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -10.371 -1.944 10.742 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -11.693 -3.267 11.931 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -11.353 -3.824 13.573 1.00 10.00 H new ATOM 648 N ALA A 43 -4.616 -2.976 11.257 1.00 10.00 N ATOM 649 CA ALA A 43 -3.503 -3.855 10.930 1.00 10.00 C ATOM 650 C ALA A 43 -3.489 -5.062 11.879 1.00 10.00 C ATOM 651 O ALA A 43 -3.982 -4.944 13.000 1.00 10.00 O ATOM 652 CB ALA A 43 -2.200 -3.067 11.020 1.00 10.00 C ATOM 0 H ALA A 43 -4.345 -2.118 11.737 1.00 10.00 H new ATOM 0 HA ALA A 43 -3.614 -4.232 9.913 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.362 -3.720 10.776 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -2.228 -2.235 10.316 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -2.077 -2.682 12.032 1.00 10.00 H new ATOM 658 N PRO A 44 -2.943 -6.221 11.469 1.00 10.00 N ATOM 659 CA PRO A 44 -2.987 -7.420 12.290 1.00 10.00 C ATOM 660 C PRO A 44 -1.985 -7.370 13.442 1.00 10.00 C ATOM 661 O PRO A 44 -2.372 -7.467 14.603 1.00 10.00 O ATOM 662 CB PRO A 44 -2.745 -8.591 11.332 1.00 10.00 C ATOM 663 CG PRO A 44 -1.976 -7.975 10.159 1.00 10.00 C ATOM 664 CD PRO A 44 -2.419 -6.509 10.142 1.00 10.00 C ATOM 0 HA PRO A 44 -3.951 -7.526 12.788 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -2.170 -9.383 11.811 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -3.684 -9.034 11.002 1.00 10.00 H new ATOM 0 HG2 PRO A 44 -0.899 -8.063 10.300 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -2.217 -8.474 9.220 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -1.581 -5.853 9.905 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -3.180 -6.342 9.380 1.00 10.00 H new ATOM 672 N GLY A 45 -0.698 -7.239 13.122 1.00 10.00 N ATOM 673 CA GLY A 45 0.371 -7.152 14.103 1.00 10.00 C ATOM 674 C GLY A 45 1.410 -6.174 13.583 1.00 10.00 C ATOM 675 O GLY A 45 2.538 -6.551 13.277 1.00 10.00 O ATOM 0 H GLY A 45 -0.369 -7.190 12.158 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.020 -6.817 15.064 1.00 10.00 H new ATOM 0 HA3 GLY A 45 0.819 -8.132 14.266 1.00 10.00 H new ATOM 679 N PHE A 46 0.988 -4.917 13.441 1.00 10.00 N ATOM 680 CA PHE A 46 1.831 -3.809 13.007 1.00 10.00 C ATOM 681 C PHE A 46 1.506 -2.585 13.878 1.00 10.00 C ATOM 682 O PHE A 46 0.456 -2.556 14.519 1.00 10.00 O ATOM 683 CB PHE A 46 1.541 -3.527 11.529 1.00 10.00 C ATOM 684 CG PHE A 46 2.134 -2.248 10.967 1.00 10.00 C ATOM 685 CD1 PHE A 46 3.519 -2.155 10.736 1.00 10.00 C ATOM 686 CD2 PHE A 46 1.309 -1.129 10.733 1.00 10.00 C ATOM 687 CE1 PHE A 46 4.082 -0.937 10.313 1.00 10.00 C ATOM 688 CE2 PHE A 46 1.871 0.078 10.283 1.00 10.00 C ATOM 689 CZ PHE A 46 3.262 0.187 10.121 1.00 10.00 C ATOM 0 H PHE A 46 0.026 -4.637 13.630 1.00 10.00 H new ATOM 0 HA PHE A 46 2.889 -4.047 13.115 1.00 10.00 H new ATOM 0 HB2 PHE A 46 1.912 -4.366 10.940 1.00 10.00 H new ATOM 0 HB3 PHE A 46 0.460 -3.494 11.391 1.00 10.00 H new ATOM 0 HD1 PHE A 46 4.150 -3.019 10.883 1.00 10.00 H new ATOM 0 HD2 PHE A 46 0.244 -1.199 10.900 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.145 -0.866 10.136 1.00 10.00 H new ATOM 0 HE2 PHE A 46 1.234 0.921 10.062 1.00 10.00 H new ATOM 0 HZ PHE A 46 3.701 1.135 9.849 1.00 10.00 H new ATOM 699 N THR A 47 2.384 -1.579 13.873 1.00 10.00 N ATOM 700 CA THR A 47 2.262 -0.347 14.643 1.00 10.00 C ATOM 701 C THR A 47 1.861 0.795 13.704 1.00 10.00 C ATOM 702 O THR A 47 2.710 1.344 13.008 1.00 10.00 O ATOM 703 CB THR A 47 3.604 -0.079 15.340 1.00 10.00 C ATOM 704 OG1 THR A 47 3.878 -1.161 16.210 1.00 10.00 O ATOM 705 CG2 THR A 47 3.598 1.224 16.146 1.00 10.00 C ATOM 0 H THR A 47 3.233 -1.606 13.308 1.00 10.00 H new ATOM 0 HA THR A 47 1.489 -0.430 15.407 1.00 10.00 H new ATOM 0 HB THR A 47 4.370 0.020 14.571 1.00 10.00 H new ATOM 0 HG1 THR A 47 4.733 -1.008 16.663 1.00 10.00 H new ATOM 0 HG21 THR A 47 4.571 1.364 16.618 1.00 10.00 H new ATOM 0 HG22 THR A 47 3.393 2.063 15.480 1.00 10.00 H new ATOM 0 HG23 THR A 47 2.826 1.173 16.914 1.00 10.00 H new ATOM 713 N TYR A 48 0.573 1.153 13.696 1.00 10.00 N ATOM 714 CA TYR A 48 0.043 2.257 12.909 1.00 10.00 C ATOM 715 C TYR A 48 0.392 3.584 13.576 1.00 10.00 C ATOM 716 O TYR A 48 0.868 3.610 14.711 1.00 10.00 O ATOM 717 CB TYR A 48 -1.482 2.103 12.771 1.00 10.00 C ATOM 718 CG TYR A 48 -2.230 1.972 14.089 1.00 10.00 C ATOM 719 CD1 TYR A 48 -2.415 3.095 14.922 1.00 10.00 C ATOM 720 CD2 TYR A 48 -2.664 0.706 14.527 1.00 10.00 C ATOM 721 CE1 TYR A 48 -2.957 2.940 16.209 1.00 10.00 C ATOM 722 CE2 TYR A 48 -3.243 0.560 15.799 1.00 10.00 C ATOM 723 CZ TYR A 48 -3.362 1.670 16.651 1.00 10.00 C ATOM 724 OH TYR A 48 -3.879 1.510 17.902 1.00 10.00 O ATOM 0 H TYR A 48 -0.138 0.672 14.247 1.00 10.00 H new ATOM 0 HA TYR A 48 0.489 2.244 11.914 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.873 2.965 12.231 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -1.691 1.224 12.161 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -2.139 4.078 14.569 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -2.552 -0.154 13.884 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -3.062 3.797 16.858 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -3.597 -0.408 16.122 1.00 10.00 H new ATOM 0 HH TYR A 48 -4.108 0.568 18.043 1.00 10.00 H new ATOM 734 N THR A 49 0.084 4.684 12.888 1.00 10.00 N ATOM 735 CA THR A 49 0.243 6.032 13.397 1.00 10.00 C ATOM 736 C THR A 49 -1.122 6.732 13.478 1.00 10.00 C ATOM 737 O THR A 49 -2.132 6.227 12.973 1.00 10.00 O ATOM 738 CB THR A 49 1.187 6.782 12.451 1.00 10.00 C ATOM 739 OG1 THR A 49 0.541 6.901 11.195 1.00 10.00 O ATOM 740 CG2 THR A 49 2.535 6.067 12.287 1.00 10.00 C ATOM 0 H THR A 49 -0.291 4.654 11.940 1.00 10.00 H new ATOM 0 HA THR A 49 0.663 6.015 14.403 1.00 10.00 H new ATOM 0 HB THR A 49 1.405 7.763 12.874 1.00 10.00 H new ATOM 0 HG1 THR A 49 1.125 7.380 10.571 1.00 10.00 H new ATOM 0 HG21 THR A 49 3.169 6.637 11.608 1.00 10.00 H new ATOM 0 HG22 THR A 49 3.024 5.986 13.258 1.00 10.00 H new ATOM 0 HG23 THR A 49 2.371 5.070 11.879 1.00 10.00 H new ATOM 748 N ASP A 50 -1.148 7.932 14.064 1.00 10.00 N ATOM 749 CA ASP A 50 -2.296 8.822 14.223 1.00 10.00 C ATOM 750 C ASP A 50 -2.697 9.481 12.899 1.00 10.00 C ATOM 751 O ASP A 50 -2.913 10.687 12.820 1.00 10.00 O ATOM 752 CB ASP A 50 -1.942 9.884 15.279 1.00 10.00 C ATOM 753 CG ASP A 50 -0.665 10.659 14.950 1.00 10.00 C ATOM 754 OD1 ASP A 50 0.354 9.972 14.702 1.00 10.00 O ATOM 755 OD2 ASP A 50 -0.719 11.906 14.980 1.00 10.00 O ATOM 0 H ASP A 50 -0.303 8.335 14.469 1.00 10.00 H new ATOM 0 HA ASP A 50 -3.157 8.239 14.550 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -2.771 10.585 15.372 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -1.825 9.399 16.248 1.00 10.00 H new ATOM 760 N ALA A 51 -2.838 8.679 11.845 1.00 10.00 N ATOM 761 CA ALA A 51 -3.066 9.183 10.500 1.00 10.00 C ATOM 762 C ALA A 51 -3.599 8.086 9.589 1.00 10.00 C ATOM 763 O ALA A 51 -4.462 8.329 8.742 1.00 10.00 O ATOM 764 CB ALA A 51 -1.758 9.718 9.931 1.00 10.00 C ATOM 0 H ALA A 51 -2.797 7.662 11.904 1.00 10.00 H new ATOM 0 HA ALA A 51 -3.807 9.981 10.552 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.927 10.096 8.923 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -1.389 10.525 10.564 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -1.020 8.916 9.899 1.00 10.00 H new ATOM 770 N ASN A 52 -3.064 6.871 9.728 1.00 10.00 N ATOM 771 CA ASN A 52 -3.610 5.721 9.031 1.00 10.00 C ATOM 772 C ASN A 52 -5.008 5.420 9.575 1.00 10.00 C ATOM 773 O ASN A 52 -5.975 5.371 8.817 1.00 10.00 O ATOM 774 CB ASN A 52 -2.656 4.522 9.123 1.00 10.00 C ATOM 775 CG ASN A 52 -2.664 3.747 7.808 1.00 10.00 C ATOM 776 OD1 ASN A 52 -2.293 4.292 6.770 1.00 10.00 O ATOM 777 ND2 ASN A 52 -3.140 2.508 7.826 1.00 10.00 N ATOM 0 H ASN A 52 -2.256 6.666 10.316 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.710 5.941 7.968 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -1.646 4.866 9.346 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -2.958 3.869 9.942 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -3.208 1.975 6.959 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -3.438 2.089 8.707 1.00 10.00 H new ATOM 784 N LYS A 53 -5.138 5.298 10.901 1.00 10.00 N ATOM 785 CA LYS A 53 -6.434 5.101 11.545 1.00 10.00 C ATOM 786 C LYS A 53 -7.341 6.291 11.273 1.00 10.00 C ATOM 787 O LYS A 53 -8.499 6.113 10.904 1.00 10.00 O ATOM 788 CB LYS A 53 -6.260 4.858 13.058 1.00 10.00 C ATOM 789 CG LYS A 53 -7.242 3.828 13.657 1.00 10.00 C ATOM 790 CD LYS A 53 -8.239 4.409 14.672 1.00 10.00 C ATOM 791 CE LYS A 53 -9.382 5.180 13.988 1.00 10.00 C ATOM 792 NZ LYS A 53 -10.717 4.726 14.429 1.00 10.00 N ATOM 0 H LYS A 53 -4.352 5.333 11.550 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.906 4.214 11.123 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -5.240 4.520 13.244 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -6.383 5.806 13.582 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -7.800 3.363 12.845 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -6.668 3.038 14.142 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -8.657 3.601 15.272 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -7.712 5.075 15.356 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -9.276 6.244 14.200 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -9.300 5.061 12.908 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -11.450 5.277 13.939 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -10.833 3.717 14.203 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -10.809 4.864 15.456 1.00 10.00 H new ATOM 806 N ASN A 54 -6.801 7.502 11.431 1.00 10.00 N ATOM 807 CA ASN A 54 -7.549 8.730 11.202 1.00 10.00 C ATOM 808 C ASN A 54 -8.148 8.769 9.795 1.00 10.00 C ATOM 809 O ASN A 54 -9.182 9.393 9.584 1.00 10.00 O ATOM 810 CB ASN A 54 -6.657 9.953 11.448 1.00 10.00 C ATOM 811 CG ASN A 54 -7.491 11.132 11.932 1.00 10.00 C ATOM 812 OD1 ASN A 54 -7.755 12.072 11.193 1.00 10.00 O ATOM 813 ND2 ASN A 54 -7.909 11.080 13.195 1.00 10.00 N ATOM 0 H ASN A 54 -5.835 7.653 11.721 1.00 10.00 H new ATOM 0 HA ASN A 54 -8.377 8.754 11.910 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -5.894 9.711 12.188 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -6.136 10.221 10.529 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -8.470 11.841 13.578 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -7.668 10.279 13.779 1.00 10.00 H new ATOM 820 N LYS A 55 -7.507 8.083 8.841 1.00 10.00 N ATOM 821 CA LYS A 55 -8.015 7.974 7.484 1.00 10.00 C ATOM 822 C LYS A 55 -9.353 7.230 7.485 1.00 10.00 C ATOM 823 O LYS A 55 -10.326 7.697 6.905 1.00 10.00 O ATOM 824 CB LYS A 55 -6.964 7.277 6.608 1.00 10.00 C ATOM 825 CG LYS A 55 -6.912 7.888 5.206 1.00 10.00 C ATOM 826 CD LYS A 55 -5.597 7.533 4.495 1.00 10.00 C ATOM 827 CE LYS A 55 -4.452 8.523 4.796 1.00 10.00 C ATOM 828 NZ LYS A 55 -3.732 8.284 6.069 1.00 10.00 N ATOM 0 H LYS A 55 -6.626 7.593 8.995 1.00 10.00 H new ATOM 0 HA LYS A 55 -8.198 8.964 7.067 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -5.984 7.358 7.079 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.196 6.214 6.535 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.756 7.527 4.618 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -7.011 8.971 5.274 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.289 6.531 4.794 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -5.770 7.505 3.419 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -3.734 8.483 3.977 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -4.861 9.533 4.812 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -2.817 8.778 6.048 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -4.301 8.643 6.862 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -3.572 7.264 6.191 1.00 10.00 H new ATOM 842 N GLY A 56 -9.386 6.065 8.137 1.00 10.00 N ATOM 843 CA GLY A 56 -10.574 5.232 8.263 1.00 10.00 C ATOM 844 C GLY A 56 -11.253 4.940 6.924 1.00 10.00 C ATOM 845 O GLY A 56 -12.478 4.983 6.832 1.00 10.00 O ATOM 0 H GLY A 56 -8.567 5.670 8.600 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.300 4.289 8.737 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.287 5.725 8.924 1.00 10.00 H new ATOM 849 N ILE A 57 -10.463 4.593 5.905 1.00 10.00 N ATOM 850 CA ILE A 57 -10.946 4.247 4.571 1.00 10.00 C ATOM 851 C ILE A 57 -10.716 2.763 4.293 1.00 10.00 C ATOM 852 O ILE A 57 -9.897 2.120 4.953 1.00 10.00 O ATOM 853 CB ILE A 57 -10.351 5.186 3.495 1.00 10.00 C ATOM 854 CG1 ILE A 57 -8.818 5.138 3.405 1.00 10.00 C ATOM 855 CG2 ILE A 57 -10.848 6.614 3.738 1.00 10.00 C ATOM 856 CD1 ILE A 57 -8.243 6.055 2.323 1.00 10.00 C ATOM 0 H ILE A 57 -9.448 4.544 5.989 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.023 4.406 4.526 1.00 10.00 H new ATOM 0 HB ILE A 57 -10.702 4.828 2.527 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -8.396 5.418 4.370 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.505 4.113 3.206 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -10.430 7.278 2.981 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -11.936 6.635 3.679 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -10.532 6.946 4.727 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -7.156 5.971 2.315 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -8.637 5.761 1.350 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -8.526 7.087 2.532 1.00 10.00 H new ATOM 868 N THR A 58 -11.484 2.213 3.349 1.00 10.00 N ATOM 869 CA THR A 58 -11.290 0.856 2.869 1.00 10.00 C ATOM 870 C THR A 58 -10.141 0.906 1.874 1.00 10.00 C ATOM 871 O THR A 58 -10.185 1.699 0.936 1.00 10.00 O ATOM 872 CB THR A 58 -12.576 0.304 2.223 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.064 1.130 1.185 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.684 0.129 3.261 1.00 10.00 C ATOM 0 H THR A 58 -12.258 2.703 2.900 1.00 10.00 H new ATOM 0 HA THR A 58 -11.055 0.181 3.692 1.00 10.00 H new ATOM 0 HB THR A 58 -12.301 -0.662 1.799 1.00 10.00 H new ATOM 0 HG1 THR A 58 -12.316 1.604 0.765 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.579 -0.262 2.776 1.00 10.00 H new ATOM 0 HG22 THR A 58 -13.354 -0.569 4.031 1.00 10.00 H new ATOM 0 HG23 THR A 58 -13.910 1.093 3.718 1.00 10.00 H new ATOM 882 N TRP A 59 -9.101 0.100 2.079 1.00 10.00 N ATOM 883 CA TRP A 59 -8.039 0.044 1.098 1.00 10.00 C ATOM 884 C TRP A 59 -8.555 -0.633 -0.160 1.00 10.00 C ATOM 885 O TRP A 59 -8.692 -1.852 -0.202 1.00 10.00 O ATOM 886 CB TRP A 59 -6.821 -0.658 1.669 1.00 10.00 C ATOM 887 CG TRP A 59 -6.024 0.224 2.561 1.00 10.00 C ATOM 888 CD1 TRP A 59 -5.858 0.067 3.888 1.00 10.00 C ATOM 889 CD2 TRP A 59 -5.273 1.415 2.189 1.00 10.00 C ATOM 890 NE1 TRP A 59 -5.010 1.060 4.338 1.00 10.00 N ATOM 891 CE2 TRP A 59 -4.689 1.964 3.360 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.012 2.078 0.974 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -3.926 3.137 3.351 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -4.258 3.261 0.946 1.00 10.00 C ATOM 895 CH2 TRP A 59 -3.754 3.817 2.137 1.00 10.00 C ATOM 0 H TRP A 59 -8.979 -0.503 2.892 1.00 10.00 H new ATOM 0 HA TRP A 59 -7.724 1.054 0.835 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.141 -1.539 2.225 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.191 -1.008 0.852 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -6.310 -0.703 4.496 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -4.661 1.114 5.295 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -5.398 1.670 0.051 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -3.479 3.511 4.260 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.063 3.749 0.003 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -3.236 4.765 2.116 1.00 10.00 H new ATOM 906 N LYS A 60 -8.861 0.166 -1.178 1.00 10.00 N ATOM 907 CA LYS A 60 -9.318 -0.313 -2.463 1.00 10.00 C ATOM 908 C LYS A 60 -8.518 0.346 -3.574 1.00 10.00 C ATOM 909 O LYS A 60 -7.835 1.344 -3.343 1.00 10.00 O ATOM 910 CB LYS A 60 -10.825 -0.101 -2.612 1.00 10.00 C ATOM 911 CG LYS A 60 -11.217 1.382 -2.554 1.00 10.00 C ATOM 912 CD LYS A 60 -12.683 1.626 -2.941 1.00 10.00 C ATOM 913 CE LYS A 60 -13.007 1.141 -4.369 1.00 10.00 C ATOM 914 NZ LYS A 60 -13.544 -0.233 -4.423 1.00 10.00 N ATOM 0 H LYS A 60 -8.794 1.182 -1.124 1.00 10.00 H new ATOM 0 HA LYS A 60 -9.148 -1.387 -2.535 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -11.157 -0.525 -3.560 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -11.345 -0.642 -1.822 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -11.044 1.759 -1.546 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -10.570 1.950 -3.222 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -13.333 1.114 -2.231 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -12.903 2.691 -2.864 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -13.730 1.822 -4.819 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -12.102 1.192 -4.974 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -13.124 -0.738 -5.229 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -13.310 -0.732 -3.541 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -14.577 -0.198 -4.537 1.00 10.00 H new ATOM 928 N GLU A 61 -8.622 -0.212 -4.782 1.00 10.00 N ATOM 929 CA GLU A 61 -7.895 0.269 -5.940 1.00 10.00 C ATOM 930 C GLU A 61 -7.948 1.798 -6.040 1.00 10.00 C ATOM 931 O GLU A 61 -6.912 2.419 -6.211 1.00 10.00 O ATOM 932 CB GLU A 61 -8.351 -0.484 -7.198 1.00 10.00 C ATOM 933 CG GLU A 61 -9.860 -0.378 -7.492 1.00 10.00 C ATOM 934 CD GLU A 61 -10.540 -1.725 -7.743 1.00 10.00 C ATOM 935 OE1 GLU A 61 -10.089 -2.478 -8.643 1.00 10.00 O ATOM 936 OE2 GLU A 61 -11.505 -1.989 -6.990 1.00 10.00 O ATOM 0 H GLU A 61 -9.219 -1.015 -4.977 1.00 10.00 H new ATOM 0 HA GLU A 61 -6.834 0.046 -5.831 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -7.798 -0.101 -8.056 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.087 -1.536 -7.092 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.350 0.114 -6.652 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -10.006 0.259 -8.364 1.00 10.00 H new ATOM 943 N GLU A 62 -9.118 2.401 -5.819 1.00 10.00 N ATOM 944 CA GLU A 62 -9.308 3.846 -5.702 1.00 10.00 C ATOM 945 C GLU A 62 -8.300 4.494 -4.739 1.00 10.00 C ATOM 946 O GLU A 62 -7.523 5.369 -5.118 1.00 10.00 O ATOM 947 CB GLU A 62 -10.749 4.112 -5.227 1.00 10.00 C ATOM 948 CG GLU A 62 -11.518 5.095 -6.110 1.00 10.00 C ATOM 949 CD GLU A 62 -12.957 5.220 -5.619 1.00 10.00 C ATOM 950 OE1 GLU A 62 -13.576 4.150 -5.423 1.00 10.00 O ATOM 951 OE2 GLU A 62 -13.397 6.369 -5.417 1.00 10.00 O ATOM 0 H GLU A 62 -9.987 1.878 -5.713 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.137 4.297 -6.680 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.291 3.167 -5.194 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -10.720 4.499 -4.208 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -11.032 6.071 -6.091 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -11.506 4.753 -7.145 1.00 10.00 H new ATOM 958 N THR A 63 -8.325 4.081 -3.470 1.00 10.00 N ATOM 959 CA THR A 63 -7.549 4.727 -2.429 1.00 10.00 C ATOM 960 C THR A 63 -6.069 4.547 -2.729 1.00 10.00 C ATOM 961 O THR A 63 -5.311 5.511 -2.702 1.00 10.00 O ATOM 962 CB THR A 63 -7.934 4.166 -1.057 1.00 10.00 C ATOM 963 OG1 THR A 63 -7.807 2.764 -1.015 1.00 10.00 O ATOM 964 CG2 THR A 63 -9.389 4.504 -0.730 1.00 10.00 C ATOM 0 H THR A 63 -8.884 3.292 -3.144 1.00 10.00 H new ATOM 0 HA THR A 63 -7.763 5.795 -2.407 1.00 10.00 H new ATOM 0 HB THR A 63 -7.257 4.619 -0.333 1.00 10.00 H new ATOM 0 HG1 THR A 63 -7.740 2.414 -1.928 1.00 10.00 H new ATOM 0 HG21 THR A 63 -9.646 4.098 0.248 1.00 10.00 H new ATOM 0 HG22 THR A 63 -9.517 5.586 -0.719 1.00 10.00 H new ATOM 0 HG23 THR A 63 -10.042 4.069 -1.486 1.00 10.00 H new ATOM 972 N LEU A 64 -5.665 3.313 -3.051 1.00 10.00 N ATOM 973 CA LEU A 64 -4.307 3.056 -3.508 1.00 10.00 C ATOM 974 C LEU A 64 -3.950 3.982 -4.676 1.00 10.00 C ATOM 975 O LEU A 64 -2.904 4.627 -4.656 1.00 10.00 O ATOM 976 CB LEU A 64 -4.101 1.592 -3.911 1.00 10.00 C ATOM 977 CG LEU A 64 -3.829 0.645 -2.730 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.999 -0.304 -2.467 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.580 -0.186 -3.046 1.00 10.00 C ATOM 0 H LEU A 64 -6.259 2.486 -3.002 1.00 10.00 H new ATOM 0 HA LEU A 64 -3.641 3.262 -2.670 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -4.987 1.245 -4.443 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -3.266 1.533 -4.609 1.00 10.00 H new ATOM 0 HG LEU A 64 -3.687 1.254 -1.837 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -4.759 -0.952 -1.624 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -5.893 0.276 -2.236 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -5.180 -0.913 -3.353 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -2.374 -0.863 -2.217 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -2.748 -0.765 -3.954 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -1.728 0.478 -3.192 1.00 10.00 H new ATOM 991 N MET A 65 -4.806 4.071 -5.692 1.00 10.00 N ATOM 992 CA MET A 65 -4.552 4.888 -6.865 1.00 10.00 C ATOM 993 C MET A 65 -4.331 6.354 -6.490 1.00 10.00 C ATOM 994 O MET A 65 -3.539 7.012 -7.164 1.00 10.00 O ATOM 995 CB MET A 65 -5.634 4.694 -7.941 1.00 10.00 C ATOM 996 CG MET A 65 -5.450 3.334 -8.628 1.00 10.00 C ATOM 997 SD MET A 65 -6.859 2.637 -9.534 1.00 10.00 S ATOM 998 CE MET A 65 -6.835 3.626 -11.044 1.00 10.00 C ATOM 0 H MET A 65 -5.697 3.575 -5.720 1.00 10.00 H new ATOM 0 HA MET A 65 -3.620 4.545 -7.314 1.00 10.00 H new ATOM 0 HB2 MET A 65 -6.624 4.751 -7.488 1.00 10.00 H new ATOM 0 HB3 MET A 65 -5.574 5.495 -8.678 1.00 10.00 H new ATOM 0 HG2 MET A 65 -4.616 3.422 -9.325 1.00 10.00 H new ATOM 0 HG3 MET A 65 -5.154 2.613 -7.866 1.00 10.00 H new ATOM 0 HE1 MET A 65 -7.647 3.310 -11.699 1.00 10.00 H new ATOM 0 HE2 MET A 65 -6.962 4.679 -10.791 1.00 10.00 H new ATOM 0 HE3 MET A 65 -5.882 3.488 -11.555 1.00 10.00 H new ATOM 1008 N GLU A 66 -4.962 6.833 -5.415 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.802 8.193 -4.919 1.00 10.00 C ATOM 1010 C GLU A 66 -3.815 8.280 -3.743 1.00 10.00 C ATOM 1011 O GLU A 66 -3.745 9.310 -3.075 1.00 10.00 O ATOM 1012 CB GLU A 66 -6.187 8.728 -4.543 1.00 10.00 C ATOM 1013 CG GLU A 66 -7.068 8.935 -5.785 1.00 10.00 C ATOM 1014 CD GLU A 66 -6.508 10.030 -6.686 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -6.244 11.125 -6.139 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -6.327 9.746 -7.890 1.00 10.00 O ATOM 0 H GLU A 66 -5.608 6.273 -4.859 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.366 8.811 -5.704 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.675 8.031 -3.862 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -6.081 9.673 -4.010 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -7.137 8.002 -6.344 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -8.080 9.198 -5.476 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.034 7.223 -3.500 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.066 7.145 -2.413 1.00 10.00 C ATOM 1025 C TYR A 67 -0.686 6.866 -2.995 1.00 10.00 C ATOM 1026 O TYR A 67 0.250 7.639 -2.803 1.00 10.00 O ATOM 1027 CB TYR A 67 -2.502 6.047 -1.437 1.00 10.00 C ATOM 1028 CG TYR A 67 -1.620 5.878 -0.213 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -1.421 6.959 0.666 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.056 4.622 0.088 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -0.664 6.786 1.837 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -0.337 4.442 1.283 1.00 10.00 C ATOM 1033 CZ TYR A 67 -0.162 5.519 2.169 1.00 10.00 C ATOM 1034 OH TYR A 67 0.541 5.356 3.328 1.00 10.00 O ATOM 0 H TYR A 67 -3.062 6.379 -4.071 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.018 8.087 -1.867 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -3.518 6.261 -1.105 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.535 5.099 -1.974 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -1.851 7.924 0.440 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.176 3.798 -0.599 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -0.468 7.630 2.482 1.00 10.00 H new ATOM 0 HE2 TYR A 67 0.081 3.475 1.520 1.00 10.00 H new ATOM 0 HH TYR A 67 0.649 4.400 3.513 1.00 10.00 H new ATOM 1044 N LEU A 68 -0.559 5.781 -3.761 1.00 10.00 N ATOM 1045 CA LEU A 68 0.681 5.423 -4.430 1.00 10.00 C ATOM 1046 C LEU A 68 1.106 6.499 -5.429 1.00 10.00 C ATOM 1047 O LEU A 68 2.285 6.564 -5.768 1.00 10.00 O ATOM 1048 CB LEU A 68 0.561 4.069 -5.139 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.005 2.922 -4.293 1.00 10.00 C ATOM 1050 CD1 LEU A 68 0.028 1.651 -5.149 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.757 2.724 -2.981 1.00 10.00 C ATOM 0 H LEU A 68 -1.322 5.126 -3.932 1.00 10.00 H new ATOM 0 HA LEU A 68 1.448 5.344 -3.660 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.072 4.195 -6.017 1.00 10.00 H new ATOM 0 HB3 LEU A 68 1.549 3.779 -5.497 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.027 3.164 -4.002 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.369 0.815 -4.574 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -0.579 1.798 -6.042 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.056 1.435 -5.440 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.313 1.899 -2.423 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.801 2.495 -3.197 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.701 3.636 -2.387 1.00 10.00 H new ATOM 1063 N GLU A 69 0.168 7.329 -5.908 1.00 10.00 N ATOM 1064 CA GLU A 69 0.476 8.497 -6.720 1.00 10.00 C ATOM 1065 C GLU A 69 0.173 9.804 -6.000 1.00 10.00 C ATOM 1066 O GLU A 69 -0.040 10.827 -6.642 1.00 10.00 O ATOM 1067 CB GLU A 69 -0.218 8.388 -8.084 1.00 10.00 C ATOM 1068 CG GLU A 69 0.719 8.721 -9.256 1.00 10.00 C ATOM 1069 CD GLU A 69 0.204 9.884 -10.082 1.00 10.00 C ATOM 1070 OE1 GLU A 69 -0.743 9.601 -10.857 1.00 10.00 O ATOM 1071 OE2 GLU A 69 0.781 10.985 -9.948 1.00 10.00 O ATOM 0 H GLU A 69 -0.829 7.201 -5.737 1.00 10.00 H new ATOM 0 HA GLU A 69 1.551 8.516 -6.897 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -0.605 7.377 -8.210 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -1.074 9.062 -8.106 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.710 8.961 -8.871 1.00 10.00 H new ATOM 0 HG3 GLU A 69 0.828 7.844 -9.894 1.00 10.00 H new ATOM 1078 N ASN A 70 0.165 9.792 -4.665 1.00 10.00 N ATOM 1079 CA ASN A 70 -0.071 10.998 -3.885 1.00 10.00 C ATOM 1080 C ASN A 70 0.061 10.690 -2.390 1.00 10.00 C ATOM 1081 O ASN A 70 -0.883 10.877 -1.621 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.438 11.605 -4.279 1.00 10.00 C ATOM 1083 CG ASN A 70 -1.316 12.902 -5.080 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -0.347 13.650 -4.955 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -2.322 13.205 -5.894 1.00 10.00 N ATOM 0 H ASN A 70 0.320 8.954 -4.104 1.00 10.00 H new ATOM 0 HA ASN A 70 0.683 11.754 -4.105 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -1.996 10.875 -4.865 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -2.016 11.797 -3.375 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -2.301 14.072 -6.430 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -3.116 12.570 -5.982 1.00 10.00 H new ATOM 1092 N PRO A 71 1.246 10.241 -1.936 1.00 10.00 N ATOM 1093 CA PRO A 71 1.427 9.878 -0.545 1.00 10.00 C ATOM 1094 C PRO A 71 1.220 11.113 0.325 1.00 10.00 C ATOM 1095 O PRO A 71 0.524 11.053 1.334 1.00 10.00 O ATOM 1096 CB PRO A 71 2.836 9.289 -0.433 1.00 10.00 C ATOM 1097 CG PRO A 71 3.585 9.814 -1.659 1.00 10.00 C ATOM 1098 CD PRO A 71 2.487 10.099 -2.687 1.00 10.00 C ATOM 0 HA PRO A 71 0.705 9.138 -0.199 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.322 9.603 0.491 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.808 8.199 -0.424 1.00 10.00 H new ATOM 0 HG2 PRO A 71 4.151 10.715 -1.423 1.00 10.00 H new ATOM 0 HG3 PRO A 71 4.298 9.079 -2.033 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.707 11.007 -3.248 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.412 9.287 -3.410 1.00 10.00 H new ATOM 1106 N LYS A 72 1.790 12.249 -0.094 1.00 10.00 N ATOM 1107 CA LYS A 72 1.704 13.495 0.651 1.00 10.00 C ATOM 1108 C LYS A 72 0.487 14.341 0.253 1.00 10.00 C ATOM 1109 O LYS A 72 0.589 15.563 0.161 1.00 10.00 O ATOM 1110 CB LYS A 72 3.017 14.298 0.553 1.00 10.00 C ATOM 1111 CG LYS A 72 3.410 14.884 -0.823 1.00 10.00 C ATOM 1112 CD LYS A 72 3.838 13.815 -1.840 1.00 10.00 C ATOM 1113 CE LYS A 72 5.009 14.225 -2.747 1.00 10.00 C ATOM 1114 NZ LYS A 72 4.607 15.162 -3.815 1.00 10.00 N ATOM 0 H LYS A 72 2.323 12.323 -0.961 1.00 10.00 H new ATOM 0 HA LYS A 72 1.557 13.226 1.697 1.00 10.00 H new ATOM 0 HB2 LYS A 72 2.957 15.123 1.262 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.829 13.651 0.885 1.00 10.00 H new ATOM 0 HG2 LYS A 72 2.565 15.442 -1.227 1.00 10.00 H new ATOM 0 HG3 LYS A 72 4.226 15.594 -0.688 1.00 10.00 H new ATOM 0 HD2 LYS A 72 4.114 12.909 -1.300 1.00 10.00 H new ATOM 0 HD3 LYS A 72 2.982 13.565 -2.466 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.788 14.686 -2.140 1.00 10.00 H new ATOM 0 HE3 LYS A 72 5.443 13.332 -3.198 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 5.436 15.404 -4.395 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 3.883 14.716 -4.414 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 4.218 16.028 -3.389 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.656 13.705 -0.009 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.882 14.397 -0.399 1.00 10.00 C ATOM 1130 C LYS A 73 -3.018 13.953 0.521 1.00 10.00 C ATOM 1131 O LYS A 73 -3.646 14.780 1.179 1.00 10.00 O ATOM 1132 CB LYS A 73 -2.190 14.134 -1.882 1.00 10.00 C ATOM 1133 CG LYS A 73 -2.780 15.360 -2.598 1.00 10.00 C ATOM 1134 CD LYS A 73 -1.671 16.244 -3.189 1.00 10.00 C ATOM 1135 CE LYS A 73 -2.243 17.558 -3.742 1.00 10.00 C ATOM 1136 NZ LYS A 73 -1.410 18.119 -4.828 1.00 10.00 N ATOM 0 H LYS A 73 -0.756 12.691 0.044 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.761 15.475 -0.289 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -1.275 13.829 -2.389 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -2.890 13.302 -1.960 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -3.450 15.033 -3.393 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -3.378 15.942 -1.896 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -0.929 16.462 -2.421 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -1.158 15.704 -3.985 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -3.253 17.384 -4.114 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -2.322 18.286 -2.934 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -1.835 19.005 -5.169 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -0.453 18.310 -4.468 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -1.355 17.437 -5.611 1.00 10.00 H new ATOM 1150 N TYR A 74 -3.258 12.640 0.598 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.249 12.059 1.496 1.00 10.00 C ATOM 1152 C TYR A 74 -3.737 12.111 2.943 1.00 10.00 C ATOM 1153 O TYR A 74 -3.409 11.083 3.533 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.602 10.631 1.042 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.729 10.537 0.026 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -5.699 11.296 -1.159 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -6.822 9.684 0.276 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -6.758 11.210 -2.079 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -7.857 9.565 -0.666 1.00 10.00 C ATOM 1160 CZ TYR A 74 -7.810 10.307 -1.857 1.00 10.00 C ATOM 1161 OH TYR A 74 -8.758 10.106 -2.814 1.00 10.00 O ATOM 0 H TYR A 74 -2.764 11.949 0.033 1.00 10.00 H new ATOM 0 HA TYR A 74 -5.170 12.641 1.459 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.710 10.171 0.616 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.875 10.045 1.919 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -4.860 11.946 -1.362 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -6.864 9.119 1.196 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -6.763 11.839 -2.957 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -8.689 8.903 -0.474 1.00 10.00 H new ATOM 0 HH TYR A 74 -9.411 9.448 -2.495 1.00 10.00 H new ATOM 1171 N ILE A 75 -3.714 13.321 3.511 1.00 10.00 N ATOM 1172 CA ILE A 75 -3.325 13.631 4.884 1.00 10.00 C ATOM 1173 C ILE A 75 -1.801 13.460 5.058 1.00 10.00 C ATOM 1174 O ILE A 75 -1.278 12.357 4.890 1.00 10.00 O ATOM 1175 CB ILE A 75 -4.201 12.854 5.913 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -5.080 13.778 6.785 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -3.419 11.912 6.843 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -6.555 13.684 6.382 1.00 10.00 C ATOM 0 H ILE A 75 -3.983 14.157 2.991 1.00 10.00 H new ATOM 0 HA ILE A 75 -3.528 14.680 5.098 1.00 10.00 H new ATOM 0 HB ILE A 75 -4.834 12.243 5.270 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -4.969 13.505 7.834 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -4.738 14.808 6.686 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -4.111 11.415 7.523 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -2.896 11.164 6.247 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -2.695 12.488 7.419 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -7.148 14.346 7.014 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -6.667 13.981 5.339 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -6.901 12.658 6.506 1.00 10.00 H new ATOM 1190 N PRO A 76 -1.042 14.517 5.394 1.00 10.00 N ATOM 1191 CA PRO A 76 0.399 14.407 5.566 1.00 10.00 C ATOM 1192 C PRO A 76 0.735 13.789 6.933 1.00 10.00 C ATOM 1193 O PRO A 76 1.380 14.420 7.765 1.00 10.00 O ATOM 1194 CB PRO A 76 0.927 15.834 5.388 1.00 10.00 C ATOM 1195 CG PRO A 76 -0.217 16.695 5.922 1.00 10.00 C ATOM 1196 CD PRO A 76 -1.471 15.901 5.544 1.00 10.00 C ATOM 0 HA PRO A 76 0.870 13.740 4.844 1.00 10.00 H new ATOM 0 HB2 PRO A 76 1.848 15.996 5.947 1.00 10.00 H new ATOM 0 HB3 PRO A 76 1.145 16.056 4.343 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -0.142 16.837 7.000 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -0.218 17.686 5.469 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -2.236 15.991 6.315 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -1.906 16.277 4.618 1.00 10.00 H new ATOM 1204 N GLY A 77 0.327 12.533 7.145 1.00 10.00 N ATOM 1205 CA GLY A 77 0.763 11.697 8.260 1.00 10.00 C ATOM 1206 C GLY A 77 1.119 10.322 7.701 1.00 10.00 C ATOM 1207 O GLY A 77 0.640 9.296 8.172 1.00 10.00 O ATOM 0 H GLY A 77 -0.333 12.061 6.527 1.00 10.00 H new ATOM 0 HA2 GLY A 77 1.625 12.142 8.757 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -0.027 11.613 9.006 1.00 10.00 H new ATOM 1211 N THR A 78 1.959 10.317 6.667 1.00 10.00 N ATOM 1212 CA THR A 78 2.693 9.146 6.215 1.00 10.00 C ATOM 1213 C THR A 78 4.176 9.474 6.400 1.00 10.00 C ATOM 1214 O THR A 78 4.516 10.520 6.951 1.00 10.00 O ATOM 1215 CB THR A 78 2.335 8.824 4.749 1.00 10.00 C ATOM 1216 OG1 THR A 78 2.993 7.643 4.311 1.00 10.00 O ATOM 1217 CG2 THR A 78 2.659 9.976 3.788 1.00 10.00 C ATOM 0 H THR A 78 2.150 11.150 6.110 1.00 10.00 H new ATOM 0 HA THR A 78 2.437 8.253 6.786 1.00 10.00 H new ATOM 0 HB THR A 78 1.256 8.671 4.730 1.00 10.00 H new ATOM 0 HG1 THR A 78 2.749 7.459 3.380 1.00 10.00 H new ATOM 0 HG21 THR A 78 2.385 9.690 2.772 1.00 10.00 H new ATOM 0 HG22 THR A 78 2.096 10.863 4.080 1.00 10.00 H new ATOM 0 HG23 THR A 78 3.726 10.194 3.828 1.00 10.00 H new ATOM 1225 N LYS A 79 5.050 8.620 5.873 1.00 10.00 N ATOM 1226 CA LYS A 79 6.470 8.921 5.769 1.00 10.00 C ATOM 1227 C LYS A 79 6.765 9.693 4.477 1.00 10.00 C ATOM 1228 O LYS A 79 7.689 10.500 4.458 1.00 10.00 O ATOM 1229 CB LYS A 79 7.328 7.651 5.914 1.00 10.00 C ATOM 1230 CG LYS A 79 7.044 6.539 4.893 1.00 10.00 C ATOM 1231 CD LYS A 79 5.995 5.537 5.402 1.00 10.00 C ATOM 1232 CE LYS A 79 5.210 4.904 4.246 1.00 10.00 C ATOM 1233 NZ LYS A 79 6.081 4.190 3.290 1.00 10.00 N ATOM 0 H LYS A 79 4.792 7.703 5.508 1.00 10.00 H new ATOM 0 HA LYS A 79 6.748 9.570 6.600 1.00 10.00 H new ATOM 0 HB2 LYS A 79 8.378 7.932 5.835 1.00 10.00 H new ATOM 0 HB3 LYS A 79 7.180 7.247 6.915 1.00 10.00 H new ATOM 0 HG2 LYS A 79 6.696 6.984 3.961 1.00 10.00 H new ATOM 0 HG3 LYS A 79 7.970 6.010 4.668 1.00 10.00 H new ATOM 0 HD2 LYS A 79 6.488 4.755 5.979 1.00 10.00 H new ATOM 0 HD3 LYS A 79 5.305 6.043 6.077 1.00 10.00 H new ATOM 0 HE2 LYS A 79 4.474 4.209 4.650 1.00 10.00 H new ATOM 0 HE3 LYS A 79 4.658 5.682 3.718 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 5.531 3.456 2.800 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 6.457 4.864 2.593 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 6.870 3.747 3.803 1.00 10.00 H new ATOM 1247 N MET A 80 5.991 9.420 3.410 1.00 10.00 N ATOM 1248 CA MET A 80 6.285 9.789 2.024 1.00 10.00 C ATOM 1249 C MET A 80 7.527 9.033 1.542 1.00 10.00 C ATOM 1250 O MET A 80 8.361 8.634 2.354 1.00 10.00 O ATOM 1251 CB MET A 80 6.409 11.317 1.862 1.00 10.00 C ATOM 1252 CG MET A 80 6.516 11.808 0.409 1.00 10.00 C ATOM 1253 SD MET A 80 7.861 12.967 0.050 1.00 10.00 S ATOM 1254 CE MET A 80 7.311 14.391 1.015 1.00 10.00 C ATOM 0 H MET A 80 5.109 8.916 3.500 1.00 10.00 H new ATOM 0 HA MET A 80 5.451 9.492 1.388 1.00 10.00 H new ATOM 0 HB2 MET A 80 5.543 11.788 2.326 1.00 10.00 H new ATOM 0 HB3 MET A 80 7.288 11.656 2.410 1.00 10.00 H new ATOM 0 HG2 MET A 80 6.632 10.939 -0.238 1.00 10.00 H new ATOM 0 HG3 MET A 80 5.573 12.284 0.138 1.00 10.00 H new ATOM 0 HE1 MET A 80 8.030 15.203 0.907 1.00 10.00 H new ATOM 0 HE2 MET A 80 6.335 14.719 0.656 1.00 10.00 H new ATOM 0 HE3 MET A 80 7.236 14.111 2.066 1.00 10.00 H new ATOM 1264 N ILE A 81 7.643 8.794 0.227 1.00 10.00 N ATOM 1265 CA ILE A 81 8.912 8.361 -0.339 1.00 10.00 C ATOM 1266 C ILE A 81 9.340 9.058 -1.627 1.00 10.00 C ATOM 1267 O ILE A 81 10.529 9.295 -1.828 1.00 10.00 O ATOM 1268 CB ILE A 81 9.012 6.821 -0.474 1.00 10.00 C ATOM 1269 CG1 ILE A 81 7.777 6.253 -1.201 1.00 10.00 C ATOM 1270 CG2 ILE A 81 9.239 6.125 0.874 1.00 10.00 C ATOM 1271 CD1 ILE A 81 7.880 4.753 -1.495 1.00 10.00 C ATOM 0 H ILE A 81 6.884 8.893 -0.447 1.00 10.00 H new ATOM 0 HA ILE A 81 9.636 8.690 0.406 1.00 10.00 H new ATOM 0 HB ILE A 81 9.893 6.610 -1.081 1.00 10.00 H new ATOM 0 HG12 ILE A 81 6.891 6.437 -0.594 1.00 10.00 H new ATOM 0 HG13 ILE A 81 7.638 6.791 -2.139 1.00 10.00 H new ATOM 0 HG21 ILE A 81 9.301 5.048 0.721 1.00 10.00 H new ATOM 0 HG22 ILE A 81 10.169 6.483 1.316 1.00 10.00 H new ATOM 0 HG23 ILE A 81 8.409 6.349 1.544 1.00 10.00 H new ATOM 0 HD11 ILE A 81 6.978 4.420 -2.007 1.00 10.00 H new ATOM 0 HD12 ILE A 81 8.747 4.565 -2.128 1.00 10.00 H new ATOM 0 HD13 ILE A 81 7.989 4.205 -0.559 1.00 10.00 H new ATOM 1283 N PHE A 82 8.403 9.380 -2.512 1.00 10.00 N ATOM 1284 CA PHE A 82 8.699 10.030 -3.775 1.00 10.00 C ATOM 1285 C PHE A 82 7.401 10.669 -4.261 1.00 10.00 C ATOM 1286 O PHE A 82 6.389 10.594 -3.562 1.00 10.00 O ATOM 1287 CB PHE A 82 9.325 9.018 -4.757 1.00 10.00 C ATOM 1288 CG PHE A 82 8.658 7.651 -4.842 1.00 10.00 C ATOM 1289 CD1 PHE A 82 7.335 7.536 -5.305 1.00 10.00 C ATOM 1290 CD2 PHE A 82 9.380 6.482 -4.529 1.00 10.00 C ATOM 1291 CE1 PHE A 82 6.729 6.276 -5.434 1.00 10.00 C ATOM 1292 CE2 PHE A 82 8.790 5.217 -4.706 1.00 10.00 C ATOM 1293 CZ PHE A 82 7.461 5.113 -5.151 1.00 10.00 C ATOM 0 H PHE A 82 7.410 9.194 -2.368 1.00 10.00 H new ATOM 0 HA PHE A 82 9.445 10.818 -3.678 1.00 10.00 H new ATOM 0 HB2 PHE A 82 9.321 9.462 -5.753 1.00 10.00 H new ATOM 0 HB3 PHE A 82 10.368 8.872 -4.477 1.00 10.00 H new ATOM 0 HD1 PHE A 82 6.780 8.425 -5.564 1.00 10.00 H new ATOM 0 HD2 PHE A 82 10.389 6.557 -4.152 1.00 10.00 H new ATOM 0 HE1 PHE A 82 5.699 6.202 -5.751 1.00 10.00 H new ATOM 0 HE2 PHE A 82 9.360 4.323 -4.499 1.00 10.00 H new ATOM 0 HZ PHE A 82 7.005 4.142 -5.275 1.00 10.00 H new ATOM 1303 N ALA A 83 7.431 11.304 -5.437 1.00 10.00 N ATOM 1304 CA ALA A 83 6.264 11.926 -6.050 1.00 10.00 C ATOM 1305 C ALA A 83 5.080 10.960 -6.092 1.00 10.00 C ATOM 1306 O ALA A 83 4.067 11.203 -5.437 1.00 10.00 O ATOM 1307 CB ALA A 83 6.617 12.443 -7.451 1.00 10.00 C ATOM 0 H ALA A 83 8.280 11.399 -5.994 1.00 10.00 H new ATOM 0 HA ALA A 83 5.962 12.776 -5.438 1.00 10.00 H new ATOM 0 HB1 ALA A 83 5.738 12.906 -7.900 1.00 10.00 H new ATOM 0 HB2 ALA A 83 7.417 13.180 -7.376 1.00 10.00 H new ATOM 0 HB3 ALA A 83 6.947 11.611 -8.073 1.00 10.00 H new ATOM 1313 N GLY A 84 5.215 9.878 -6.858 1.00 10.00 N ATOM 1314 CA GLY A 84 4.173 8.886 -7.012 1.00 10.00 C ATOM 1315 C GLY A 84 4.670 7.725 -7.869 1.00 10.00 C ATOM 1316 O GLY A 84 5.794 7.784 -8.369 1.00 10.00 O ATOM 0 H GLY A 84 6.061 9.672 -7.390 1.00 10.00 H new ATOM 0 HA2 GLY A 84 3.864 8.518 -6.034 1.00 10.00 H new ATOM 0 HA3 GLY A 84 3.296 9.339 -7.474 1.00 10.00 H new ATOM 1320 N ILE A 85 3.859 6.671 -8.031 1.00 10.00 N ATOM 1321 CA ILE A 85 4.125 5.599 -8.980 1.00 10.00 C ATOM 1322 C ILE A 85 4.291 6.203 -10.376 1.00 10.00 C ATOM 1323 O ILE A 85 3.766 7.275 -10.667 1.00 10.00 O ATOM 1324 CB ILE A 85 3.015 4.519 -8.908 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.414 3.334 -8.026 1.00 10.00 C ATOM 1326 CG2 ILE A 85 2.527 3.989 -10.263 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.466 2.403 -8.629 1.00 10.00 C ATOM 0 H ILE A 85 2.997 6.544 -7.501 1.00 10.00 H new ATOM 0 HA ILE A 85 5.054 5.088 -8.728 1.00 10.00 H new ATOM 0 HB ILE A 85 2.179 5.056 -8.460 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.791 3.717 -7.078 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.521 2.751 -7.802 1.00 10.00 H new ATOM 0 HG21 ILE A 85 1.752 3.239 -10.103 1.00 10.00 H new ATOM 0 HG22 ILE A 85 2.120 4.812 -10.850 1.00 10.00 H new ATOM 0 HG23 ILE A 85 3.362 3.539 -10.800 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.681 1.596 -7.929 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.089 1.984 -9.562 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.379 2.965 -8.827 1.00 10.00 H new ATOM 1339 N LYS A 86 5.023 5.482 -11.228 1.00 10.00 N ATOM 1340 CA LYS A 86 5.433 5.896 -12.566 1.00 10.00 C ATOM 1341 C LYS A 86 4.306 6.613 -13.310 1.00 10.00 C ATOM 1342 O LYS A 86 4.536 7.677 -13.879 1.00 10.00 O ATOM 1343 CB LYS A 86 5.941 4.692 -13.379 1.00 10.00 C ATOM 1344 CG LYS A 86 6.989 3.882 -12.601 1.00 10.00 C ATOM 1345 CD LYS A 86 7.727 2.837 -13.457 1.00 10.00 C ATOM 1346 CE LYS A 86 9.171 3.199 -13.819 1.00 10.00 C ATOM 1347 NZ LYS A 86 9.258 4.355 -14.731 1.00 10.00 N ATOM 0 H LYS A 86 5.361 4.550 -10.990 1.00 10.00 H new ATOM 0 HA LYS A 86 6.251 6.606 -12.449 1.00 10.00 H new ATOM 0 HB2 LYS A 86 5.101 4.047 -13.637 1.00 10.00 H new ATOM 0 HB3 LYS A 86 6.374 5.042 -14.316 1.00 10.00 H new ATOM 0 HG2 LYS A 86 7.719 4.568 -12.172 1.00 10.00 H new ATOM 0 HG3 LYS A 86 6.499 3.376 -11.769 1.00 10.00 H new ATOM 0 HD2 LYS A 86 7.730 1.887 -12.922 1.00 10.00 H new ATOM 0 HD3 LYS A 86 7.165 2.682 -14.378 1.00 10.00 H new ATOM 0 HE2 LYS A 86 9.725 3.419 -12.907 1.00 10.00 H new ATOM 0 HE3 LYS A 86 9.651 2.338 -14.284 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 10.256 4.556 -14.943 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 8.754 4.139 -15.614 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 8.826 5.186 -14.280 1.00 10.00 H new ATOM 1361 N LYS A 87 3.110 6.012 -13.316 1.00 10.00 N ATOM 1362 CA LYS A 87 1.888 6.559 -13.869 1.00 10.00 C ATOM 1363 C LYS A 87 0.718 5.611 -13.586 1.00 10.00 C ATOM 1364 O LYS A 87 0.878 4.563 -12.959 1.00 10.00 O ATOM 1365 CB LYS A 87 2.047 6.798 -15.372 1.00 10.00 C ATOM 1366 CG LYS A 87 2.300 5.495 -16.131 1.00 10.00 C ATOM 1367 CD LYS A 87 2.485 5.740 -17.630 1.00 10.00 C ATOM 1368 CE LYS A 87 1.244 6.417 -18.232 1.00 10.00 C ATOM 1369 NZ LYS A 87 1.085 6.100 -19.665 1.00 10.00 N ATOM 0 H LYS A 87 2.973 5.085 -12.913 1.00 10.00 H new ATOM 0 HA LYS A 87 1.678 7.518 -13.395 1.00 10.00 H new ATOM 0 HB2 LYS A 87 1.148 7.276 -15.761 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.875 7.486 -15.545 1.00 10.00 H new ATOM 0 HG2 LYS A 87 3.188 5.007 -15.730 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.463 4.814 -15.974 1.00 10.00 H new ATOM 0 HD2 LYS A 87 3.362 6.366 -17.795 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.670 4.793 -18.137 1.00 10.00 H new ATOM 0 HE2 LYS A 87 0.356 6.096 -17.688 1.00 10.00 H new ATOM 0 HE3 LYS A 87 1.322 7.497 -18.105 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 0.498 6.829 -20.119 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 2.020 6.074 -20.121 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 0.625 5.173 -19.766 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.452 5.965 -14.120 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.701 5.233 -13.982 1.00 10.00 C ATOM 1385 C LYS A 88 -1.547 3.790 -14.448 1.00 10.00 C ATOM 1386 O LYS A 88 -1.968 2.882 -13.747 1.00 10.00 O ATOM 1387 CB LYS A 88 -2.827 5.999 -14.695 1.00 10.00 C ATOM 1388 CG LYS A 88 -2.664 6.125 -16.219 1.00 10.00 C ATOM 1389 CD LYS A 88 -3.546 7.240 -16.813 1.00 10.00 C ATOM 1390 CE LYS A 88 -4.738 6.687 -17.611 1.00 10.00 C ATOM 1391 NZ LYS A 88 -5.522 7.765 -18.254 1.00 10.00 N ATOM 0 H LYS A 88 -0.554 6.808 -14.685 1.00 10.00 H new ATOM 0 HA LYS A 88 -1.978 5.166 -12.930 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -3.774 5.501 -14.486 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -2.892 7.000 -14.268 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -1.619 6.327 -16.455 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -2.918 5.175 -16.689 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -3.916 7.874 -16.007 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -2.940 7.871 -17.463 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -4.375 5.998 -18.374 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -5.385 6.115 -16.946 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -6.316 7.349 -18.782 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -5.890 8.409 -17.525 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -4.912 8.295 -18.908 1.00 10.00 H new ATOM 1405 N THR A 89 -0.909 3.590 -15.605 1.00 10.00 N ATOM 1406 CA THR A 89 -0.627 2.290 -16.189 1.00 10.00 C ATOM 1407 C THR A 89 -0.032 1.354 -15.135 1.00 10.00 C ATOM 1408 O THR A 89 -0.611 0.322 -14.799 1.00 10.00 O ATOM 1409 CB THR A 89 0.343 2.522 -17.362 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.128 3.603 -18.155 1.00 10.00 O ATOM 1411 CG2 THR A 89 0.473 1.277 -18.231 1.00 10.00 C ATOM 0 H THR A 89 -0.565 4.362 -16.176 1.00 10.00 H new ATOM 0 HA THR A 89 -1.537 1.812 -16.552 1.00 10.00 H new ATOM 0 HB THR A 89 1.326 2.754 -16.951 1.00 10.00 H new ATOM 0 HG1 THR A 89 0.008 3.397 -19.103 1.00 10.00 H new ATOM 0 HG21 THR A 89 1.165 1.475 -19.050 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.851 0.451 -17.629 1.00 10.00 H new ATOM 0 HG23 THR A 89 -0.503 1.013 -18.637 1.00 10.00 H new ATOM 1419 N GLU A 90 1.114 1.768 -14.591 1.00 10.00 N ATOM 1420 CA GLU A 90 1.800 1.029 -13.555 1.00 10.00 C ATOM 1421 C GLU A 90 0.889 0.827 -12.361 1.00 10.00 C ATOM 1422 O GLU A 90 0.760 -0.290 -11.885 1.00 10.00 O ATOM 1423 CB GLU A 90 3.074 1.759 -13.128 1.00 10.00 C ATOM 1424 CG GLU A 90 4.339 1.195 -13.813 1.00 10.00 C ATOM 1425 CD GLU A 90 5.437 0.765 -12.835 1.00 10.00 C ATOM 1426 OE1 GLU A 90 5.410 1.221 -11.672 1.00 10.00 O ATOM 1427 OE2 GLU A 90 6.351 0.039 -13.282 1.00 10.00 O ATOM 0 H GLU A 90 1.586 2.630 -14.865 1.00 10.00 H new ATOM 0 HA GLU A 90 2.077 0.053 -13.955 1.00 10.00 H new ATOM 0 HB2 GLU A 90 2.978 2.819 -13.365 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.187 1.684 -12.046 1.00 10.00 H new ATOM 0 HG2 GLU A 90 4.057 0.339 -14.426 1.00 10.00 H new ATOM 0 HG3 GLU A 90 4.742 1.951 -14.487 1.00 10.00 H new ATOM 1434 N ARG A 91 0.290 1.905 -11.858 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.525 1.833 -10.655 1.00 10.00 C ATOM 1436 C ARG A 91 -1.593 0.741 -10.819 1.00 10.00 C ATOM 1437 O ARG A 91 -1.757 -0.115 -9.953 1.00 10.00 O ATOM 1438 CB ARG A 91 -1.133 3.218 -10.398 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.414 3.460 -8.913 1.00 10.00 C ATOM 1440 CD ARG A 91 -1.297 4.955 -8.598 1.00 10.00 C ATOM 1441 NE ARG A 91 -2.345 5.784 -9.228 1.00 10.00 N ATOM 1442 CZ ARG A 91 -2.220 6.638 -10.256 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -1.104 6.683 -10.984 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -3.220 7.475 -10.545 1.00 10.00 N ATOM 0 H ARG A 91 0.356 2.837 -12.268 1.00 10.00 H new ATOM 0 HA ARG A 91 0.076 1.560 -9.788 1.00 10.00 H new ATOM 0 HB2 ARG A 91 -0.453 3.986 -10.767 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -2.060 3.316 -10.962 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -2.412 3.103 -8.660 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -0.709 2.895 -8.303 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -1.339 5.093 -7.518 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -0.320 5.310 -8.927 1.00 10.00 H new ATOM 0 HE ARG A 91 -3.281 5.696 -8.832 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -0.326 6.061 -10.764 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -1.028 7.339 -11.761 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -4.073 7.463 -9.986 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -3.131 8.126 -11.325 1.00 10.00 H new ATOM 1458 N GLU A 92 -2.275 0.756 -11.966 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.307 -0.210 -12.323 1.00 10.00 C ATOM 1460 C GLU A 92 -2.722 -1.621 -12.325 1.00 10.00 C ATOM 1461 O GLU A 92 -3.216 -2.500 -11.621 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.936 0.144 -13.688 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.442 0.413 -13.576 1.00 10.00 C ATOM 1464 CD GLU A 92 -6.215 -0.884 -13.393 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -6.499 -1.514 -14.437 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.452 -1.272 -12.233 1.00 10.00 O ATOM 0 H GLU A 92 -2.118 1.459 -12.688 1.00 10.00 H new ATOM 0 HA GLU A 92 -4.102 -0.173 -11.578 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.440 1.024 -14.098 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.765 -0.673 -14.389 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -5.635 1.077 -12.734 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.791 0.925 -14.472 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.678 -1.853 -13.128 1.00 10.00 N ATOM 1474 CA ASP A 93 -1.015 -3.154 -13.213 1.00 10.00 C ATOM 1475 C ASP A 93 -0.670 -3.652 -11.802 1.00 10.00 C ATOM 1476 O ASP A 93 -1.004 -4.771 -11.418 1.00 10.00 O ATOM 1477 CB ASP A 93 0.243 -3.040 -14.091 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.017 -2.985 -15.592 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.200 -3.083 -15.988 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.988 -2.864 -16.327 1.00 10.00 O ATOM 0 H ASP A 93 -1.271 -1.143 -13.736 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.684 -3.880 -13.674 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.790 -2.143 -13.800 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.891 -3.891 -13.881 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.041 -2.791 -11.002 1.00 10.00 N ATOM 1486 CA LEU A 94 0.292 -3.045 -9.609 1.00 10.00 C ATOM 1487 C LEU A 94 -0.936 -3.555 -8.857 1.00 10.00 C ATOM 1488 O LEU A 94 -0.918 -4.668 -8.327 1.00 10.00 O ATOM 1489 CB LEU A 94 0.857 -1.768 -8.965 1.00 10.00 C ATOM 1490 CG LEU A 94 1.977 -2.064 -7.969 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.620 -0.750 -7.529 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.493 -2.790 -6.732 1.00 10.00 C ATOM 0 H LEU A 94 0.258 -1.869 -11.320 1.00 10.00 H new ATOM 0 HA LEU A 94 1.058 -3.818 -9.555 1.00 10.00 H new ATOM 0 HB2 LEU A 94 1.234 -1.107 -9.745 1.00 10.00 H new ATOM 0 HB3 LEU A 94 0.054 -1.235 -8.456 1.00 10.00 H new ATOM 0 HG LEU A 94 2.689 -2.712 -8.480 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.420 -0.957 -6.818 1.00 10.00 H new ATOM 0 HD12 LEU A 94 3.031 -0.237 -8.399 1.00 10.00 H new ATOM 0 HD13 LEU A 94 1.869 -0.118 -7.056 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.335 -2.971 -6.064 1.00 10.00 H new ATOM 0 HD22 LEU A 94 0.748 -2.180 -6.220 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.047 -3.742 -7.020 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.006 -2.750 -8.831 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.276 -3.132 -8.240 1.00 10.00 C ATOM 1506 C ILE A 95 -3.705 -4.507 -8.744 1.00 10.00 C ATOM 1507 O ILE A 95 -4.152 -5.322 -7.950 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.351 -2.051 -8.498 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.402 -1.047 -7.345 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.766 -2.627 -8.663 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.341 0.042 -7.429 1.00 10.00 C ATOM 0 H ILE A 95 -2.005 -1.809 -9.225 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.154 -3.205 -7.159 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.054 -1.572 -9.431 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.387 -0.581 -7.325 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.285 -1.583 -6.403 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.471 -1.815 -8.841 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.783 -3.314 -9.509 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.049 -3.161 -7.756 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.442 0.715 -6.577 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.351 -0.413 -7.417 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.470 0.605 -8.353 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.597 -4.774 -10.043 1.00 10.00 N ATOM 1524 CA ALA A 96 -4.015 -6.047 -10.609 1.00 10.00 C ATOM 1525 C ALA A 96 -3.333 -7.222 -9.921 1.00 10.00 C ATOM 1526 O ALA A 96 -4.008 -8.174 -9.530 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.747 -6.087 -12.102 1.00 10.00 C ATOM 0 H ALA A 96 -3.220 -4.117 -10.726 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.088 -6.138 -10.441 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -4.068 -7.048 -12.504 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.300 -5.286 -12.593 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.680 -5.955 -12.284 1.00 10.00 H new ATOM 1533 N TYR A 97 -2.006 -7.165 -9.766 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.330 -8.176 -8.965 1.00 10.00 C ATOM 1535 C TYR A 97 -1.898 -8.150 -7.563 1.00 10.00 C ATOM 1536 O TYR A 97 -2.461 -9.144 -7.118 1.00 10.00 O ATOM 1537 CB TYR A 97 0.184 -7.982 -8.927 1.00 10.00 C ATOM 1538 CG TYR A 97 0.928 -8.916 -7.975 1.00 10.00 C ATOM 1539 CD1 TYR A 97 0.898 -10.308 -8.190 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.709 -8.403 -6.918 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.640 -11.173 -7.363 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.478 -9.271 -6.115 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.413 -10.665 -6.303 1.00 10.00 C ATOM 1544 OH TYR A 97 3.282 -11.499 -5.655 1.00 10.00 O ATOM 0 H TYR A 97 -1.400 -6.452 -10.172 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.506 -9.146 -9.430 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.579 -8.122 -9.933 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.397 -6.952 -8.642 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.302 -10.714 -8.994 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.718 -7.341 -6.723 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.615 -12.237 -7.544 1.00 10.00 H new ATOM 0 HE2 TYR A 97 3.122 -8.863 -5.350 1.00 10.00 H new ATOM 0 HH TYR A 97 2.994 -11.613 -4.725 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.744 -7.012 -6.886 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.147 -6.829 -5.503 1.00 10.00 C ATOM 1556 C LEU A 98 -3.490 -7.499 -5.195 1.00 10.00 C ATOM 1557 O LEU A 98 -3.541 -8.338 -4.302 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.107 -5.334 -5.131 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.178 -5.067 -3.934 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -0.037 -4.129 -4.306 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.927 -4.488 -2.741 1.00 10.00 C ATOM 0 H LEU A 98 -1.326 -6.178 -7.298 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.428 -7.340 -4.863 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -1.768 -4.755 -5.990 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.114 -4.992 -4.893 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.769 -6.037 -3.652 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.597 -3.964 -3.435 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.554 -4.574 -5.106 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.445 -3.176 -4.643 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -1.229 -4.317 -1.921 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.391 -3.544 -3.026 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.698 -5.189 -2.421 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.546 -7.168 -5.946 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.885 -7.749 -5.872 1.00 10.00 C ATOM 1575 C LYS A 99 -5.845 -9.254 -5.636 1.00 10.00 C ATOM 1576 O LYS A 99 -6.558 -9.757 -4.772 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.650 -7.481 -7.177 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.219 -6.063 -7.235 1.00 10.00 C ATOM 1579 CD LYS A 99 -7.875 -5.789 -8.600 1.00 10.00 C ATOM 1580 CE LYS A 99 -9.365 -5.468 -8.416 1.00 10.00 C ATOM 1581 NZ LYS A 99 -9.986 -4.896 -9.627 1.00 10.00 N ATOM 0 H LYS A 99 -4.482 -6.445 -6.663 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.389 -7.278 -5.028 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -5.983 -7.638 -8.025 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.463 -8.201 -7.273 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -7.953 -5.929 -6.441 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.423 -5.340 -7.058 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -7.374 -4.955 -9.092 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -7.760 -6.658 -9.248 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -9.895 -6.379 -8.138 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -9.481 -4.767 -7.589 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -10.784 -5.494 -9.923 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -10.330 -3.937 -9.421 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -9.282 -4.854 -10.391 1.00 10.00 H new ATOM 1595 N LYS A 100 -5.041 -9.963 -6.429 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.839 -11.385 -6.239 1.00 10.00 C ATOM 1597 C LYS A 100 -3.923 -11.567 -5.035 1.00 10.00 C ATOM 1598 O LYS A 100 -4.344 -12.076 -4.010 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.222 -12.001 -7.496 1.00 10.00 C ATOM 1600 CG LYS A 100 -5.131 -11.864 -8.724 1.00 10.00 C ATOM 1601 CD LYS A 100 -5.987 -13.121 -8.965 1.00 10.00 C ATOM 1602 CE LYS A 100 -6.332 -13.293 -10.456 1.00 10.00 C ATOM 1603 NZ LYS A 100 -6.362 -14.717 -10.851 1.00 10.00 N ATOM 0 H LYS A 100 -4.520 -9.566 -7.211 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.789 -11.889 -6.060 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -3.265 -11.520 -7.701 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -4.016 -13.056 -7.316 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -5.785 -11.002 -8.594 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -4.520 -11.670 -9.605 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -5.450 -14.001 -8.611 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -6.906 -13.053 -8.383 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -7.302 -12.839 -10.660 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -5.598 -12.763 -11.063 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -6.598 -14.792 -11.861 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -5.429 -15.144 -10.680 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -7.080 -15.218 -10.290 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.683 -11.092 -5.157 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.554 -11.376 -4.281 1.00 10.00 C ATOM 1619 C ALA A 101 -1.974 -11.324 -2.819 1.00 10.00 C ATOM 1620 O ALA A 101 -1.866 -12.294 -2.074 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.435 -10.365 -4.557 1.00 10.00 C ATOM 0 H ALA A 101 -2.428 -10.461 -5.917 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.190 -12.383 -4.484 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.413 -10.573 -3.904 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -0.120 -10.446 -5.597 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.801 -9.356 -4.366 1.00 10.00 H new ATOM 1627 N THR A 102 -2.521 -10.177 -2.429 1.00 10.00 N ATOM 1628 CA THR A 102 -2.922 -9.932 -1.061 1.00 10.00 C ATOM 1629 C THR A 102 -4.001 -10.901 -0.574 1.00 10.00 C ATOM 1630 O THR A 102 -4.057 -11.186 0.618 1.00 10.00 O ATOM 1631 CB THR A 102 -3.390 -8.486 -0.921 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.446 -8.232 -1.818 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.233 -7.523 -1.170 1.00 10.00 C ATOM 0 H THR A 102 -2.696 -9.394 -3.059 1.00 10.00 H new ATOM 0 HA THR A 102 -2.052 -10.103 -0.427 1.00 10.00 H new ATOM 0 HB THR A 102 -3.750 -8.331 0.096 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.083 -7.894 -2.663 1.00 10.00 H new ATOM 0 HG21 THR A 102 -2.585 -6.497 -1.066 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.441 -7.710 -0.445 1.00 10.00 H new ATOM 0 HG23 THR A 102 -1.845 -7.673 -2.177 1.00 10.00 H new ATOM 1641 N ASN A 103 -4.866 -11.361 -1.478 1.00 10.00 N ATOM 1642 CA ASN A 103 -5.929 -12.327 -1.226 1.00 10.00 C ATOM 1643 C ASN A 103 -5.478 -13.758 -1.567 1.00 10.00 C ATOM 1644 O ASN A 103 -6.281 -14.681 -1.433 1.00 10.00 O ATOM 1645 CB ASN A 103 -7.167 -11.921 -2.055 1.00 10.00 C ATOM 1646 CG ASN A 103 -8.374 -11.508 -1.215 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -8.581 -11.972 -0.099 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.204 -10.613 -1.750 1.00 10.00 N ATOM 0 H ASN A 103 -4.841 -11.054 -2.450 1.00 10.00 H new ATOM 0 HA ASN A 103 -6.180 -12.322 -0.165 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -6.896 -11.095 -2.712 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -7.452 -12.756 -2.695 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -10.025 -10.304 -1.230 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -9.018 -10.237 -2.680 1.00 10.00 H new ATOM 1655 N GLU A 104 -4.208 -13.932 -1.960 1.00 10.00 N ATOM 1656 CA GLU A 104 -3.601 -15.140 -2.492 1.00 10.00 C ATOM 1657 C GLU A 104 -4.090 -15.448 -3.924 1.00 10.00 C ATOM 1658 O GLU A 104 -3.383 -16.213 -4.616 1.00 10.00 O ATOM 1659 CB GLU A 104 -3.735 -16.304 -1.495 1.00 10.00 C ATOM 1660 CG GLU A 104 -2.399 -17.032 -1.271 1.00 10.00 C ATOM 1661 CD GLU A 104 -2.550 -18.267 -0.388 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -2.986 -19.307 -0.927 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -2.215 -18.161 0.815 1.00 10.00 O ATOM 1664 OXT GLU A 104 -5.135 -14.897 -4.341 1.00 10.00 O ATOM 0 H GLU A 104 -3.535 -13.167 -1.906 1.00 10.00 H new ATOM 0 HA GLU A 104 -2.529 -14.977 -2.605 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -4.104 -15.924 -0.542 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -4.476 -17.013 -1.864 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -1.983 -17.326 -2.234 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -1.687 -16.346 -0.812 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 4.041 4.956 0.335 1.00 10.00 N HETATM 1673 C2 IMD A 105 4.351 3.654 0.206 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.774 2.923 1.173 1.00 10.00 N HETATM 1675 C4 IMD A 105 3.029 3.829 1.931 1.00 10.00 C HETATM 1676 C5 IMD A 105 3.186 5.085 1.407 1.00 10.00 C HETATM 0 HN1 IMD A 105 4.379 5.715 -0.257 1.00 10.00 H new HETATM 0 H5 IMD A 105 2.725 6.005 1.767 1.00 10.00 H new HETATM 0 H4 IMD A 105 2.421 3.577 2.800 1.00 10.00 H new HETATM 0 H2 IMD A 105 4.987 3.246 -0.580 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.841 0.962 1.404 1.00 10.00 FE HETATM 1682 CHA HEC A 110 1.517 1.287 3.872 1.00 10.00 C HETATM 1683 CHB HEC A 110 1.465 0.124 -0.834 1.00 10.00 C HETATM 1684 CHC HEC A 110 6.251 0.976 -1.029 1.00 10.00 C HETATM 1685 CHD HEC A 110 6.352 1.126 3.779 1.00 10.00 C HETATM 1686 NA HEC A 110 1.879 0.816 1.487 1.00 10.00 N HETATM 1687 C1A HEC A 110 1.115 1.007 2.596 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.265 0.832 2.234 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.293 0.477 0.908 1.00 10.00 C HETATM 1690 C4A HEC A 110 1.081 0.460 0.448 1.00 10.00 C HETATM 1691 CMA HEC A 110 -1.525 0.186 0.083 1.00 10.00 C HETATM 1692 CAA HEC A 110 -1.434 0.948 3.180 1.00 10.00 C HETATM 1693 CBA HEC A 110 -1.617 -0.283 4.076 1.00 10.00 C HETATM 1694 CGA HEC A 110 -1.891 0.078 5.541 1.00 10.00 C HETATM 1695 O1A HEC A 110 -1.082 -0.354 6.388 1.00 10.00 O HETATM 1696 O2A HEC A 110 -2.873 0.819 5.788 1.00 10.00 O HETATM 1697 NB HEC A 110 3.861 0.630 -0.547 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.776 0.232 -1.267 1.00 10.00 C HETATM 1699 C2B HEC A 110 3.228 -0.096 -2.605 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.563 0.244 -2.682 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.955 0.662 -1.358 1.00 10.00 C HETATM 1702 CMB HEC A 110 2.425 -0.792 -3.683 1.00 10.00 C HETATM 1703 CAB HEC A 110 5.487 0.095 -3.886 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.949 0.764 -5.164 1.00 10.00 C HETATM 1705 NC HEC A 110 5.906 1.121 1.378 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.667 1.104 0.257 1.00 10.00 C HETATM 1707 C2C HEC A 110 8.061 1.149 0.623 1.00 10.00 C HETATM 1708 C3C HEC A 110 8.099 1.075 1.997 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.723 1.089 2.455 1.00 10.00 C HETATM 1710 CMC HEC A 110 9.223 1.097 -0.354 1.00 10.00 C HETATM 1711 CAC HEC A 110 9.318 0.930 2.890 1.00 10.00 C HETATM 1712 CBC HEC A 110 10.599 1.680 2.504 1.00 10.00 C HETATM 1713 ND HEC A 110 3.925 1.206 3.424 1.00 10.00 N HETATM 1714 C1D HEC A 110 5.043 1.205 4.190 1.00 10.00 C HETATM 1715 C2D HEC A 110 4.651 1.418 5.564 1.00 10.00 C HETATM 1716 C3D HEC A 110 3.282 1.478 5.584 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.831 1.312 4.229 1.00 10.00 C HETATM 1718 CMD HEC A 110 5.555 1.671 6.750 1.00 10.00 C HETATM 1719 CAD HEC A 110 2.427 1.770 6.788 1.00 10.00 C HETATM 1720 CBD HEC A 110 2.155 3.269 6.961 1.00 10.00 C HETATM 1721 CGD HEC A 110 2.159 3.652 8.443 1.00 10.00 C HETATM 1722 O1D HEC A 110 1.058 3.851 9.002 1.00 10.00 O HETATM 1723 O2D HEC A 110 3.285 3.697 8.987 1.00 10.00 O HETATM 0 HMD3 HEC A 110 6.232 0.827 6.878 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 6.135 2.578 6.579 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 4.951 1.791 7.649 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 9.183 0.165 -0.918 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 9.158 1.940 -1.042 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 10.163 1.149 0.195 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 2.122 -1.778 -3.331 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.539 -0.201 -3.915 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 3.035 -0.898 -4.580 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.068 -0.650 0.523 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.167 1.066 0.065 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.230 -0.068 -0.935 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 2.913 3.845 6.429 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 1.192 3.523 6.517 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.933 1.348 1.521 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 10.399 2.751 2.477 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 11.377 1.474 3.240 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.991 0.318 -5.433 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.815 1.831 -4.987 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.659 0.617 -5.978 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -2.443 -0.883 3.695 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -0.721 -0.902 4.021 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 1.479 1.240 6.695 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 2.920 1.387 7.682 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -1.298 1.828 3.808 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -2.345 1.107 2.603 1.00 10.00 H new HETATM 0 HHD HEC A 110 7.133 1.091 4.538 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.973 1.128 -1.831 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.710 -0.239 -1.531 1.00 10.00 H new HETATM 0 HHA HEC A 110 0.761 1.497 4.629 1.00 10.00 H new HETATM 0 H2D HEC A 110 3.211 4.142 9.857 1.00 10.00 H new HETATM 0 H2A HEC A 110 -3.142 1.289 4.971 1.00 10.00 H new