USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=25 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 67 TYR OH : rot 166:sc= 1.23 USER MOD Set 1.2: A 79 LYS NZ :NH3+ -146:sc= 0.108 (180deg=-1.21!) USER MOD Set 1.3: A 110 HEC O2D : rot -165:sc= -0.0869 USER MOD Single : A 1 GLY N :NH3+ 154:sc= 1.26 (180deg=1.07) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -101:sc= 1.01 (180deg=-0.98!) USER MOD Single : A 12 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.0059) USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= 1.2 (180deg=1.19) USER MOD Single : A 16 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.5!) USER MOD Single : A 19 THR OG1 : rot -130:sc= -0.0188 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= -0.347 X(o=-0.35,f=-0.68) USER MOD Single : A 27 LYS NZ :NH3+ -119:sc= -0.0568 (180deg=-1.15) USER MOD Single : A 28 THR OG1 : rot 10:sc= 0.848 USER MOD Single : A 31 ASN : amide:sc= 0.018 K(o=0.018,f=-0.53) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 79:sc= 0.646 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -33:sc= 0.95 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 88:sc= 0.134 USER MOD Single : A 52 ASN : amide:sc= -0.427 X(o=-0.43,f=-0.29) USER MOD Single : A 53 LYS NZ :NH3+ 163:sc=-0.00695 (180deg=-0.0967) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -151:sc= 0.0276 (180deg=-1.07!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -129:sc= 0.0473 USER MOD Single : A 65 MET CE :methyl 170:sc= 0 (180deg=-0.0741) USER MOD Single : A 70 ASN : amide:sc= 0.186 K(o=0.19,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 130:sc= 0 USER MOD Single : A 78 THR OG1 : rot 84:sc= 0.218 USER MOD Single : A 80 MET CE :methyl -135:sc= 0 (180deg=-0.043) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0429 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -88:sc= 1.24 USER MOD Single : A 103 ASN : amide:sc= -0.238 K(o=-0.24,f=-2.8!) USER MOD Single : A 110 HEC O2A : rot -120:sc= -0.571 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.338 -4.146 -15.516 1.00 10.00 N ATOM 2 CA GLY A 1 -3.956 -4.012 -15.134 1.00 10.00 C ATOM 3 C GLY A 1 -3.356 -5.374 -15.439 1.00 10.00 C ATOM 4 O GLY A 1 -4.057 -6.379 -15.328 1.00 10.00 O ATOM 0 H1 GLY A 1 -5.916 -3.475 -14.970 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.439 -3.943 -16.531 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.659 -5.116 -15.323 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.461 -3.222 -15.699 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -3.856 -3.759 -14.078 1.00 10.00 H new ATOM 10 N ASP A 2 -2.131 -5.398 -15.925 1.00 10.00 N ATOM 11 CA ASP A 2 -1.379 -6.626 -16.128 1.00 10.00 C ATOM 12 C ASP A 2 -0.973 -7.232 -14.781 1.00 10.00 C ATOM 13 O ASP A 2 -0.183 -6.636 -14.052 1.00 10.00 O ATOM 14 CB ASP A 2 -0.098 -6.374 -16.925 1.00 10.00 C ATOM 15 CG ASP A 2 0.588 -7.700 -17.223 1.00 10.00 C ATOM 16 OD1 ASP A 2 -0.019 -8.760 -16.952 1.00 10.00 O ATOM 17 OD2 ASP A 2 1.779 -7.646 -17.589 1.00 10.00 O ATOM 0 H ASP A 2 -1.621 -4.557 -16.194 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.028 -7.306 -16.680 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.333 -5.857 -17.856 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.572 -5.725 -16.360 1.00 10.00 H new ATOM 22 N VAL A 3 -1.457 -8.431 -14.455 1.00 10.00 N ATOM 23 CA VAL A 3 -0.987 -9.158 -13.283 1.00 10.00 C ATOM 24 C VAL A 3 0.507 -9.479 -13.397 1.00 10.00 C ATOM 25 O VAL A 3 1.219 -9.424 -12.392 1.00 10.00 O ATOM 26 CB VAL A 3 -1.853 -10.414 -13.061 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.299 -11.296 -11.933 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.308 -10.009 -12.765 1.00 10.00 C ATOM 0 H VAL A 3 -2.176 -8.918 -14.990 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.096 -8.527 -12.401 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.826 -11.003 -13.978 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.937 -12.171 -11.808 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.289 -11.617 -12.185 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.277 -10.727 -11.004 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.910 -10.904 -12.610 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.338 -9.391 -11.868 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.707 -9.445 -13.608 1.00 10.00 H new ATOM 38 N GLU A 4 0.999 -9.807 -14.597 1.00 10.00 N ATOM 39 CA GLU A 4 2.406 -10.140 -14.759 1.00 10.00 C ATOM 40 C GLU A 4 3.249 -8.917 -14.426 1.00 10.00 C ATOM 41 O GLU A 4 4.059 -8.952 -13.501 1.00 10.00 O ATOM 42 CB GLU A 4 2.702 -10.623 -16.181 1.00 10.00 C ATOM 43 CG GLU A 4 2.712 -12.148 -16.320 1.00 10.00 C ATOM 44 CD GLU A 4 4.141 -12.674 -16.318 1.00 10.00 C ATOM 45 OE1 GLU A 4 4.810 -12.521 -15.271 1.00 10.00 O ATOM 46 OE2 GLU A 4 4.605 -13.121 -17.384 1.00 10.00 O ATOM 0 H GLU A 4 0.448 -9.847 -15.454 1.00 10.00 H new ATOM 0 HA GLU A 4 2.656 -10.954 -14.079 1.00 10.00 H new ATOM 0 HB2 GLU A 4 1.956 -10.209 -16.859 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.670 -10.231 -16.495 1.00 10.00 H new ATOM 0 HG2 GLU A 4 2.152 -12.598 -15.500 1.00 10.00 H new ATOM 0 HG3 GLU A 4 2.213 -12.438 -17.244 1.00 10.00 H new ATOM 53 N LYS A 5 3.089 -7.827 -15.176 1.00 10.00 N ATOM 54 CA LYS A 5 3.848 -6.632 -14.891 1.00 10.00 C ATOM 55 C LYS A 5 3.583 -6.177 -13.469 1.00 10.00 C ATOM 56 O LYS A 5 4.541 -5.892 -12.769 1.00 10.00 O ATOM 57 CB LYS A 5 3.655 -5.543 -15.946 1.00 10.00 C ATOM 58 CG LYS A 5 4.446 -5.909 -17.213 1.00 10.00 C ATOM 59 CD LYS A 5 5.117 -4.701 -17.881 1.00 10.00 C ATOM 60 CE LYS A 5 4.490 -4.437 -19.255 1.00 10.00 C ATOM 61 NZ LYS A 5 5.316 -3.521 -20.064 1.00 10.00 N ATOM 0 H LYS A 5 2.451 -7.756 -15.969 1.00 10.00 H new ATOM 0 HA LYS A 5 4.910 -6.870 -14.955 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.597 -5.436 -16.184 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.993 -4.582 -15.558 1.00 10.00 H new ATOM 0 HG2 LYS A 5 5.209 -6.644 -16.957 1.00 10.00 H new ATOM 0 HG3 LYS A 5 3.774 -6.384 -17.928 1.00 10.00 H new ATOM 0 HD2 LYS A 5 5.008 -3.820 -17.249 1.00 10.00 H new ATOM 0 HD3 LYS A 5 6.186 -4.884 -17.991 1.00 10.00 H new ATOM 0 HE2 LYS A 5 4.366 -5.381 -19.786 1.00 10.00 H new ATOM 0 HE3 LYS A 5 3.495 -4.011 -19.125 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 4.861 -3.366 -20.986 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 5.413 -2.612 -19.568 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 6.257 -3.939 -20.209 1.00 10.00 H new ATOM 75 N GLY A 6 2.339 -6.196 -13.000 1.00 10.00 N ATOM 76 CA GLY A 6 2.011 -5.888 -11.621 1.00 10.00 C ATOM 77 C GLY A 6 2.906 -6.608 -10.608 1.00 10.00 C ATOM 78 O GLY A 6 3.400 -5.994 -9.658 1.00 10.00 O ATOM 0 H GLY A 6 1.528 -6.428 -13.574 1.00 10.00 H new ATOM 0 HA2 GLY A 6 2.093 -4.812 -11.467 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.972 -6.158 -11.433 1.00 10.00 H new ATOM 82 N LYS A 7 3.122 -7.913 -10.816 1.00 10.00 N ATOM 83 CA LYS A 7 3.937 -8.745 -9.958 1.00 10.00 C ATOM 84 C LYS A 7 5.333 -8.151 -9.931 1.00 10.00 C ATOM 85 O LYS A 7 5.876 -7.843 -8.871 1.00 10.00 O ATOM 86 CB LYS A 7 3.904 -10.193 -10.483 1.00 10.00 C ATOM 87 CG LYS A 7 4.666 -11.159 -9.569 1.00 10.00 C ATOM 88 CD LYS A 7 4.719 -12.566 -10.187 1.00 10.00 C ATOM 89 CE LYS A 7 4.548 -13.645 -9.106 1.00 10.00 C ATOM 90 NZ LYS A 7 4.953 -14.986 -9.578 1.00 10.00 N ATOM 0 H LYS A 7 2.721 -8.419 -11.606 1.00 10.00 H new ATOM 0 HA LYS A 7 3.563 -8.775 -8.935 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.869 -10.521 -10.573 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.336 -10.225 -11.483 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.679 -10.790 -9.405 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.181 -11.203 -8.594 1.00 10.00 H new ATOM 0 HD2 LYS A 7 3.934 -12.668 -10.936 1.00 10.00 H new ATOM 0 HD3 LYS A 7 5.670 -12.707 -10.700 1.00 10.00 H new ATOM 0 HE2 LYS A 7 5.141 -13.376 -8.232 1.00 10.00 H new ATOM 0 HE3 LYS A 7 3.506 -13.674 -8.788 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 4.819 -15.678 -8.813 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 4.371 -15.257 -10.396 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 5.955 -14.968 -9.857 1.00 10.00 H new ATOM 104 N LYS A 8 5.906 -7.966 -11.118 1.00 10.00 N ATOM 105 CA LYS A 8 7.259 -7.465 -11.207 1.00 10.00 C ATOM 106 C LYS A 8 7.337 -6.035 -10.654 1.00 10.00 C ATOM 107 O LYS A 8 8.294 -5.706 -9.967 1.00 10.00 O ATOM 108 CB LYS A 8 7.832 -7.606 -12.627 1.00 10.00 C ATOM 109 CG LYS A 8 8.307 -9.031 -12.982 1.00 10.00 C ATOM 110 CD LYS A 8 7.197 -10.084 -12.856 1.00 10.00 C ATOM 111 CE LYS A 8 7.353 -11.314 -13.763 1.00 10.00 C ATOM 112 NZ LYS A 8 6.860 -11.070 -15.135 1.00 10.00 N ATOM 0 H LYS A 8 5.456 -8.154 -12.014 1.00 10.00 H new ATOM 0 HA LYS A 8 7.901 -8.083 -10.579 1.00 10.00 H new ATOM 0 HB2 LYS A 8 7.071 -7.300 -13.345 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.670 -6.918 -12.738 1.00 10.00 H new ATOM 0 HG2 LYS A 8 8.691 -9.036 -14.002 1.00 10.00 H new ATOM 0 HG3 LYS A 8 9.135 -9.305 -12.329 1.00 10.00 H new ATOM 0 HD2 LYS A 8 7.154 -10.420 -11.820 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.241 -9.609 -13.077 1.00 10.00 H new ATOM 0 HE2 LYS A 8 8.404 -11.601 -13.803 1.00 10.00 H new ATOM 0 HE3 LYS A 8 6.810 -12.153 -13.329 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 5.915 -11.491 -15.244 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 6.805 -10.046 -15.307 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 7.512 -11.502 -15.820 1.00 10.00 H new ATOM 126 N ILE A 9 6.337 -5.186 -10.897 1.00 10.00 N ATOM 127 CA ILE A 9 6.289 -3.820 -10.419 1.00 10.00 C ATOM 128 C ILE A 9 6.382 -3.844 -8.904 1.00 10.00 C ATOM 129 O ILE A 9 7.324 -3.285 -8.357 1.00 10.00 O ATOM 130 CB ILE A 9 5.017 -3.111 -10.927 1.00 10.00 C ATOM 131 CG1 ILE A 9 5.142 -2.792 -12.428 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.746 -1.799 -10.183 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.817 -2.300 -13.021 1.00 10.00 C ATOM 0 H ILE A 9 5.519 -5.446 -11.448 1.00 10.00 H new ATOM 0 HA ILE A 9 7.129 -3.245 -10.808 1.00 10.00 H new ATOM 0 HB ILE A 9 4.189 -3.796 -10.745 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.910 -2.032 -12.575 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.470 -3.684 -12.962 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.840 -1.338 -10.577 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.617 -2.003 -9.120 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.588 -1.121 -10.322 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.950 -2.086 -14.082 1.00 10.00 H new ATOM 0 HD12 ILE A 9 3.055 -3.070 -12.899 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.502 -1.393 -12.505 1.00 10.00 H new ATOM 145 N PHE A 10 5.442 -4.497 -8.220 1.00 10.00 N ATOM 146 CA PHE A 10 5.480 -4.574 -6.765 1.00 10.00 C ATOM 147 C PHE A 10 6.890 -4.955 -6.278 1.00 10.00 C ATOM 148 O PHE A 10 7.448 -4.314 -5.384 1.00 10.00 O ATOM 149 CB PHE A 10 4.410 -5.560 -6.292 1.00 10.00 C ATOM 150 CG PHE A 10 4.380 -5.727 -4.790 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.864 -4.697 -3.983 1.00 10.00 C ATOM 152 CD2 PHE A 10 4.997 -6.841 -4.193 1.00 10.00 C ATOM 153 CE1 PHE A 10 3.913 -4.806 -2.586 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.068 -6.938 -2.794 1.00 10.00 C ATOM 155 CZ PHE A 10 4.480 -5.946 -1.993 1.00 10.00 C ATOM 0 H PHE A 10 4.651 -4.976 -8.650 1.00 10.00 H new ATOM 0 HA PHE A 10 5.259 -3.599 -6.332 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.433 -5.218 -6.633 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.588 -6.530 -6.756 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.429 -3.821 -4.440 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.416 -7.622 -4.810 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.516 -4.015 -1.967 1.00 10.00 H new ATOM 0 HE2 PHE A 10 5.574 -7.774 -2.335 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.464 -6.060 -0.919 1.00 10.00 H new ATOM 165 N VAL A 11 7.485 -5.952 -6.943 1.00 10.00 N ATOM 166 CA VAL A 11 8.807 -6.491 -6.642 1.00 10.00 C ATOM 167 C VAL A 11 9.960 -5.549 -7.033 1.00 10.00 C ATOM 168 O VAL A 11 11.072 -5.681 -6.526 1.00 10.00 O ATOM 169 CB VAL A 11 8.938 -7.871 -7.304 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.318 -8.505 -7.089 1.00 10.00 C ATOM 171 CG2 VAL A 11 7.884 -8.815 -6.722 1.00 10.00 C ATOM 0 H VAL A 11 7.039 -6.419 -7.733 1.00 10.00 H new ATOM 0 HA VAL A 11 8.894 -6.592 -5.560 1.00 10.00 H new ATOM 0 HB VAL A 11 8.797 -7.722 -8.375 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.352 -9.478 -7.579 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.086 -7.858 -7.514 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.499 -8.630 -6.021 1.00 10.00 H new ATOM 0 HG21 VAL A 11 7.975 -9.795 -7.190 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.036 -8.911 -5.647 1.00 10.00 H new ATOM 0 HG23 VAL A 11 6.889 -8.412 -6.914 1.00 10.00 H new ATOM 181 N GLN A 12 9.727 -4.618 -7.956 1.00 10.00 N ATOM 182 CA GLN A 12 10.722 -3.670 -8.448 1.00 10.00 C ATOM 183 C GLN A 12 10.468 -2.258 -7.929 1.00 10.00 C ATOM 184 O GLN A 12 11.221 -1.343 -8.259 1.00 10.00 O ATOM 185 CB GLN A 12 10.714 -3.691 -9.976 1.00 10.00 C ATOM 186 CG GLN A 12 11.153 -5.074 -10.491 1.00 10.00 C ATOM 187 CD GLN A 12 12.663 -5.265 -10.425 1.00 10.00 C ATOM 188 OE1 GLN A 12 13.368 -4.994 -11.390 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.172 -5.742 -9.292 1.00 10.00 N ATOM 0 H GLN A 12 8.814 -4.500 -8.394 1.00 10.00 H new ATOM 0 HA GLN A 12 11.702 -3.971 -8.078 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.715 -3.458 -10.345 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.384 -2.922 -10.361 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.665 -5.850 -9.901 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.818 -5.198 -11.521 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.557 -5.957 -8.507 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.177 -5.892 -9.208 1.00 10.00 H new ATOM 198 N LYS A 13 9.399 -2.068 -7.153 1.00 10.00 N ATOM 199 CA LYS A 13 9.017 -0.781 -6.612 1.00 10.00 C ATOM 200 C LYS A 13 9.047 -0.785 -5.089 1.00 10.00 C ATOM 201 O LYS A 13 9.603 0.141 -4.501 1.00 10.00 O ATOM 202 CB LYS A 13 7.616 -0.406 -7.097 1.00 10.00 C ATOM 203 CG LYS A 13 7.545 -0.201 -8.615 1.00 10.00 C ATOM 204 CD LYS A 13 8.451 0.903 -9.171 1.00 10.00 C ATOM 205 CE LYS A 13 8.486 2.166 -8.290 1.00 10.00 C ATOM 206 NZ LYS A 13 9.135 3.310 -8.962 1.00 10.00 N ATOM 0 H LYS A 13 8.769 -2.824 -6.884 1.00 10.00 H new ATOM 0 HA LYS A 13 9.738 -0.044 -6.964 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.915 -1.189 -6.808 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.296 0.508 -6.597 1.00 10.00 H new ATOM 0 HG2 LYS A 13 7.803 -1.140 -9.104 1.00 10.00 H new ATOM 0 HG3 LYS A 13 6.514 0.027 -8.886 1.00 10.00 H new ATOM 0 HD2 LYS A 13 9.464 0.514 -9.276 1.00 10.00 H new ATOM 0 HD3 LYS A 13 8.109 1.175 -10.170 1.00 10.00 H new ATOM 0 HE2 LYS A 13 7.468 2.441 -8.015 1.00 10.00 H new ATOM 0 HE3 LYS A 13 9.017 1.944 -7.364 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 9.072 4.151 -8.354 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 10.135 3.086 -9.141 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 8.656 3.499 -9.865 1.00 10.00 H new ATOM 220 N CYS A 14 8.404 -1.776 -4.462 1.00 10.00 N ATOM 221 CA CYS A 14 8.279 -1.843 -3.014 1.00 10.00 C ATOM 222 C CYS A 14 9.115 -3.031 -2.513 1.00 10.00 C ATOM 223 O CYS A 14 10.232 -2.831 -2.043 1.00 10.00 O ATOM 224 CB CYS A 14 6.819 -1.829 -2.564 1.00 10.00 C ATOM 225 SG CYS A 14 5.562 -1.542 -3.884 1.00 10.00 S ATOM 0 H CYS A 14 7.957 -2.552 -4.951 1.00 10.00 H new ATOM 0 HA CYS A 14 8.686 -0.946 -2.546 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.600 -2.782 -2.083 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.702 -1.055 -1.805 1.00 10.00 H new ATOM 230 N ALA A 15 8.606 -4.259 -2.655 1.00 10.00 N ATOM 231 CA ALA A 15 9.247 -5.524 -2.285 1.00 10.00 C ATOM 232 C ALA A 15 9.940 -5.544 -0.918 1.00 10.00 C ATOM 233 O ALA A 15 9.393 -6.064 0.050 1.00 10.00 O ATOM 234 CB ALA A 15 10.189 -5.999 -3.400 1.00 10.00 C ATOM 0 H ALA A 15 7.679 -4.405 -3.056 1.00 10.00 H new ATOM 0 HA ALA A 15 8.425 -6.231 -2.171 1.00 10.00 H new ATOM 0 HB1 ALA A 15 10.655 -6.939 -3.106 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.621 -6.147 -4.318 1.00 10.00 H new ATOM 0 HB3 ALA A 15 10.961 -5.248 -3.568 1.00 10.00 H new ATOM 240 N GLN A 16 11.141 -4.978 -0.793 1.00 10.00 N ATOM 241 CA GLN A 16 11.820 -4.861 0.487 1.00 10.00 C ATOM 242 C GLN A 16 11.210 -3.687 1.271 1.00 10.00 C ATOM 243 O GLN A 16 11.915 -2.817 1.775 1.00 10.00 O ATOM 244 CB GLN A 16 13.347 -4.755 0.286 1.00 10.00 C ATOM 245 CG GLN A 16 14.067 -6.121 0.309 1.00 10.00 C ATOM 246 CD GLN A 16 15.456 -6.062 0.957 1.00 10.00 C ATOM 247 OE1 GLN A 16 15.968 -5.001 1.295 1.00 10.00 O ATOM 248 NE2 GLN A 16 16.076 -7.217 1.183 1.00 10.00 N ATOM 0 H GLN A 16 11.665 -4.590 -1.577 1.00 10.00 H new ATOM 0 HA GLN A 16 11.670 -5.759 1.086 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.547 -4.264 -0.666 1.00 10.00 H new ATOM 0 HB3 GLN A 16 13.765 -4.119 1.067 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.451 -6.840 0.850 1.00 10.00 H new ATOM 0 HG3 GLN A 16 14.165 -6.490 -0.712 1.00 10.00 H new ATOM 0 HE21 GLN A 16 15.640 -8.094 0.897 1.00 10.00 H new ATOM 0 HE22 GLN A 16 16.987 -7.226 1.642 1.00 10.00 H new ATOM 257 N CYS A 17 9.885 -3.712 1.441 1.00 10.00 N ATOM 258 CA CYS A 17 9.177 -2.858 2.386 1.00 10.00 C ATOM 259 C CYS A 17 7.801 -3.430 2.727 1.00 10.00 C ATOM 260 O CYS A 17 7.387 -3.346 3.884 1.00 10.00 O ATOM 261 CB CYS A 17 9.094 -1.408 1.954 1.00 10.00 C ATOM 262 SG CYS A 17 9.115 -0.458 3.506 1.00 10.00 S ATOM 0 H CYS A 17 9.270 -4.335 0.917 1.00 10.00 H new ATOM 0 HA CYS A 17 9.778 -2.854 3.296 1.00 10.00 H new ATOM 0 HB2 CYS A 17 9.933 -1.138 1.313 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.184 -1.216 1.385 1.00 10.00 H new ATOM 267 N HIS A 18 7.105 -4.024 1.745 1.00 10.00 N ATOM 268 CA HIS A 18 5.834 -4.695 1.965 1.00 10.00 C ATOM 269 C HIS A 18 5.921 -6.131 1.512 1.00 10.00 C ATOM 270 O HIS A 18 6.743 -6.486 0.676 1.00 10.00 O ATOM 271 CB HIS A 18 4.734 -4.047 1.140 1.00 10.00 C ATOM 272 CG HIS A 18 4.153 -2.844 1.808 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.187 -2.815 2.794 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.322 -1.579 1.341 1.00 10.00 C ATOM 275 CE1 HIS A 18 2.755 -1.543 2.872 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.428 -0.756 2.011 1.00 10.00 N ATOM 0 H HIS A 18 7.418 -4.047 0.774 1.00 10.00 H new ATOM 0 HA HIS A 18 5.611 -4.626 3.030 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.134 -3.761 0.167 1.00 10.00 H new ATOM 0 HB3 HIS A 18 3.944 -4.775 0.958 1.00 10.00 H new ATOM 0 HD1 HIS A 18 2.864 -3.604 3.354 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.027 -1.269 0.583 1.00 10.00 H new ATOM 0 HE1 HIS A 18 1.975 -1.200 3.535 1.00 10.00 H new ATOM 284 N THR A 19 4.987 -6.928 2.017 1.00 10.00 N ATOM 285 CA THR A 19 4.836 -8.306 1.635 1.00 10.00 C ATOM 286 C THR A 19 3.352 -8.540 1.416 1.00 10.00 C ATOM 287 O THR A 19 2.556 -8.256 2.314 1.00 10.00 O ATOM 288 CB THR A 19 5.393 -9.180 2.758 1.00 10.00 C ATOM 289 OG1 THR A 19 6.657 -8.718 3.180 1.00 10.00 O ATOM 290 CG2 THR A 19 5.548 -10.607 2.266 1.00 10.00 C ATOM 0 H THR A 19 4.308 -6.620 2.713 1.00 10.00 H new ATOM 0 HA THR A 19 5.378 -8.554 0.722 1.00 10.00 H new ATOM 0 HB THR A 19 4.695 -9.135 3.594 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.289 -9.467 3.199 1.00 10.00 H new ATOM 0 HG21 THR A 19 5.945 -11.228 3.069 1.00 10.00 H new ATOM 0 HG22 THR A 19 4.577 -10.993 1.956 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.233 -10.627 1.419 1.00 10.00 H new ATOM 298 N VAL A 20 2.997 -9.022 0.225 1.00 10.00 N ATOM 299 CA VAL A 20 1.627 -9.322 -0.162 1.00 10.00 C ATOM 300 C VAL A 20 1.400 -10.829 -0.232 1.00 10.00 C ATOM 301 O VAL A 20 0.398 -11.282 -0.772 1.00 10.00 O ATOM 302 CB VAL A 20 1.306 -8.621 -1.481 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.413 -7.106 -1.311 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.193 -9.046 -2.646 1.00 10.00 C ATOM 0 H VAL A 20 3.674 -9.218 -0.512 1.00 10.00 H new ATOM 0 HA VAL A 20 0.941 -8.942 0.595 1.00 10.00 H new ATOM 0 HB VAL A 20 0.288 -8.921 -1.730 1.00 10.00 H new ATOM 0 HG11 VAL A 20 1.182 -6.617 -2.257 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.707 -6.775 -0.549 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.426 -6.845 -1.005 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.900 -8.502 -3.544 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.234 -8.824 -2.411 1.00 10.00 H new ATOM 0 HG23 VAL A 20 2.080 -10.117 -2.817 1.00 10.00 H new ATOM 314 N GLU A 21 2.328 -11.582 0.353 1.00 10.00 N ATOM 315 CA GLU A 21 2.296 -13.020 0.474 1.00 10.00 C ATOM 316 C GLU A 21 1.884 -13.342 1.912 1.00 10.00 C ATOM 317 O GLU A 21 1.957 -12.484 2.802 1.00 10.00 O ATOM 318 CB GLU A 21 3.708 -13.559 0.189 1.00 10.00 C ATOM 319 CG GLU A 21 4.308 -13.079 -1.147 1.00 10.00 C ATOM 320 CD GLU A 21 4.008 -14.020 -2.308 1.00 10.00 C ATOM 321 OE1 GLU A 21 2.809 -14.211 -2.594 1.00 10.00 O ATOM 322 OE2 GLU A 21 4.990 -14.516 -2.900 1.00 10.00 O ATOM 0 H GLU A 21 3.163 -11.175 0.775 1.00 10.00 H new ATOM 0 HA GLU A 21 1.595 -13.475 -0.226 1.00 10.00 H new ATOM 0 HB2 GLU A 21 4.370 -13.259 1.001 1.00 10.00 H new ATOM 0 HB3 GLU A 21 3.676 -14.649 0.190 1.00 10.00 H new ATOM 0 HG2 GLU A 21 3.917 -12.088 -1.379 1.00 10.00 H new ATOM 0 HG3 GLU A 21 5.388 -12.978 -1.038 1.00 10.00 H new ATOM 329 N LYS A 22 1.533 -14.605 2.147 1.00 10.00 N ATOM 330 CA LYS A 22 1.172 -15.126 3.458 1.00 10.00 C ATOM 331 C LYS A 22 2.378 -15.252 4.394 1.00 10.00 C ATOM 332 O LYS A 22 2.213 -15.451 5.594 1.00 10.00 O ATOM 333 CB LYS A 22 0.439 -16.451 3.229 1.00 10.00 C ATOM 334 CG LYS A 22 -0.110 -17.149 4.482 1.00 10.00 C ATOM 335 CD LYS A 22 0.797 -18.301 4.954 1.00 10.00 C ATOM 336 CE LYS A 22 -0.014 -19.371 5.704 1.00 10.00 C ATOM 337 NZ LYS A 22 0.649 -20.690 5.662 1.00 10.00 N ATOM 0 H LYS A 22 1.492 -15.309 1.411 1.00 10.00 H new ATOM 0 HA LYS A 22 0.514 -14.429 3.977 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -0.391 -16.269 2.547 1.00 10.00 H new ATOM 0 HB3 LYS A 22 1.121 -17.137 2.726 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -0.215 -16.420 5.285 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -1.107 -17.537 4.272 1.00 10.00 H new ATOM 0 HD2 LYS A 22 1.294 -18.752 4.095 1.00 10.00 H new ATOM 0 HD3 LYS A 22 1.579 -17.910 5.605 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -0.149 -19.065 6.741 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -1.008 -19.449 5.263 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 0.072 -21.385 6.178 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 0.755 -20.994 4.673 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 1.587 -20.621 6.105 1.00 10.00 H new ATOM 351 N GLY A 23 3.592 -15.121 3.856 1.00 10.00 N ATOM 352 CA GLY A 23 4.807 -15.083 4.654 1.00 10.00 C ATOM 353 C GLY A 23 4.752 -13.934 5.660 1.00 10.00 C ATOM 354 O GLY A 23 4.937 -14.145 6.856 1.00 10.00 O ATOM 0 H GLY A 23 3.755 -15.039 2.852 1.00 10.00 H new ATOM 0 HA2 GLY A 23 4.933 -16.029 5.180 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.673 -14.963 4.003 1.00 10.00 H new ATOM 358 N GLY A 24 4.499 -12.721 5.155 1.00 10.00 N ATOM 359 CA GLY A 24 4.528 -11.491 5.934 1.00 10.00 C ATOM 360 C GLY A 24 5.937 -11.145 6.430 1.00 10.00 C ATOM 361 O GLY A 24 6.707 -12.011 6.839 1.00 10.00 O ATOM 0 H GLY A 24 4.264 -12.571 4.174 1.00 10.00 H new ATOM 0 HA2 GLY A 24 4.148 -10.670 5.326 1.00 10.00 H new ATOM 0 HA3 GLY A 24 3.859 -11.590 6.789 1.00 10.00 H new ATOM 365 N LYS A 25 6.296 -9.860 6.393 1.00 10.00 N ATOM 366 CA LYS A 25 7.545 -9.361 6.949 1.00 10.00 C ATOM 367 C LYS A 25 7.307 -7.934 7.440 1.00 10.00 C ATOM 368 O LYS A 25 7.467 -6.980 6.680 1.00 10.00 O ATOM 369 CB LYS A 25 8.689 -9.429 5.922 1.00 10.00 C ATOM 370 CG LYS A 25 9.097 -10.871 5.579 1.00 10.00 C ATOM 371 CD LYS A 25 10.364 -10.891 4.714 1.00 10.00 C ATOM 372 CE LYS A 25 10.867 -12.314 4.417 1.00 10.00 C ATOM 373 NZ LYS A 25 11.477 -12.971 5.595 1.00 10.00 N ATOM 0 H LYS A 25 5.718 -9.133 5.971 1.00 10.00 H new ATOM 0 HA LYS A 25 7.855 -9.989 7.784 1.00 10.00 H new ATOM 0 HB2 LYS A 25 8.383 -8.916 5.010 1.00 10.00 H new ATOM 0 HB3 LYS A 25 9.555 -8.895 6.313 1.00 10.00 H new ATOM 0 HG2 LYS A 25 9.270 -11.432 6.497 1.00 10.00 H new ATOM 0 HG3 LYS A 25 8.283 -11.367 5.050 1.00 10.00 H new ATOM 0 HD2 LYS A 25 10.163 -10.379 3.773 1.00 10.00 H new ATOM 0 HD3 LYS A 25 11.151 -10.331 5.219 1.00 10.00 H new ATOM 0 HE2 LYS A 25 10.034 -12.920 4.061 1.00 10.00 H new ATOM 0 HE3 LYS A 25 11.600 -12.273 3.611 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 11.796 -13.926 5.333 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 12.290 -12.411 5.922 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 10.773 -13.038 6.358 1.00 10.00 H new ATOM 387 N HIS A 26 6.926 -7.803 8.713 1.00 10.00 N ATOM 388 CA HIS A 26 6.709 -6.534 9.403 1.00 10.00 C ATOM 389 C HIS A 26 8.043 -5.802 9.613 1.00 10.00 C ATOM 390 O HIS A 26 8.516 -5.661 10.736 1.00 10.00 O ATOM 391 CB HIS A 26 5.935 -6.783 10.715 1.00 10.00 C ATOM 392 CG HIS A 26 6.345 -8.017 11.489 1.00 10.00 C ATOM 393 ND1 HIS A 26 5.741 -9.254 11.404 1.00 10.00 N ATOM 394 CD2 HIS A 26 7.375 -8.124 12.387 1.00 10.00 C ATOM 395 CE1 HIS A 26 6.402 -10.087 12.227 1.00 10.00 C ATOM 396 NE2 HIS A 26 7.406 -9.445 12.843 1.00 10.00 N ATOM 0 H HIS A 26 6.754 -8.610 9.312 1.00 10.00 H new ATOM 0 HA HIS A 26 6.095 -5.874 8.790 1.00 10.00 H new ATOM 0 HB2 HIS A 26 6.059 -5.913 11.360 1.00 10.00 H new ATOM 0 HB3 HIS A 26 4.873 -6.858 10.481 1.00 10.00 H new ATOM 0 HD2 HIS A 26 8.043 -7.330 12.688 1.00 10.00 H new ATOM 0 HE1 HIS A 26 6.158 -11.129 12.372 1.00 10.00 H new ATOM 0 HE2 HIS A 26 8.064 -9.843 13.513 1.00 10.00 H new ATOM 404 N LYS A 27 8.654 -5.352 8.513 1.00 10.00 N ATOM 405 CA LYS A 27 9.955 -4.692 8.507 1.00 10.00 C ATOM 406 C LYS A 27 9.828 -3.167 8.554 1.00 10.00 C ATOM 407 O LYS A 27 10.668 -2.495 9.145 1.00 10.00 O ATOM 408 CB LYS A 27 10.810 -5.204 7.341 1.00 10.00 C ATOM 409 CG LYS A 27 10.248 -4.789 5.981 1.00 10.00 C ATOM 410 CD LYS A 27 11.115 -5.211 4.784 1.00 10.00 C ATOM 411 CE LYS A 27 11.220 -6.729 4.612 1.00 10.00 C ATOM 412 NZ LYS A 27 12.321 -7.300 5.414 1.00 10.00 N ATOM 0 H LYS A 27 8.245 -5.440 7.583 1.00 10.00 H new ATOM 0 HA LYS A 27 10.482 -4.957 9.423 1.00 10.00 H new ATOM 0 HB2 LYS A 27 11.826 -4.822 7.443 1.00 10.00 H new ATOM 0 HB3 LYS A 27 10.872 -6.291 7.389 1.00 10.00 H new ATOM 0 HG2 LYS A 27 9.254 -5.220 5.865 1.00 10.00 H new ATOM 0 HG3 LYS A 27 10.129 -3.706 5.965 1.00 10.00 H new ATOM 0 HD2 LYS A 27 10.700 -4.778 3.874 1.00 10.00 H new ATOM 0 HD3 LYS A 27 12.116 -4.797 4.906 1.00 10.00 H new ATOM 0 HE2 LYS A 27 10.279 -7.193 4.905 1.00 10.00 H new ATOM 0 HE3 LYS A 27 11.377 -6.965 3.560 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 13.010 -7.756 4.783 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 12.791 -6.542 5.949 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 11.939 -8.005 6.076 1.00 10.00 H new ATOM 426 N THR A 28 8.798 -2.617 7.907 1.00 10.00 N ATOM 427 CA THR A 28 8.446 -1.200 7.940 1.00 10.00 C ATOM 428 C THR A 28 6.964 -1.093 7.599 1.00 10.00 C ATOM 429 O THR A 28 6.191 -0.659 8.444 1.00 10.00 O ATOM 430 CB THR A 28 9.335 -0.337 7.032 1.00 10.00 C ATOM 431 OG1 THR A 28 10.682 -0.334 7.453 1.00 10.00 O ATOM 432 CG2 THR A 28 8.867 1.121 6.998 1.00 10.00 C ATOM 0 H THR A 28 8.165 -3.167 7.326 1.00 10.00 H new ATOM 0 HA THR A 28 8.627 -0.797 8.937 1.00 10.00 H new ATOM 0 HB THR A 28 9.255 -0.785 6.042 1.00 10.00 H new ATOM 0 HG1 THR A 28 10.808 -1.010 8.152 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.522 1.698 6.345 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.846 1.167 6.620 1.00 10.00 H new ATOM 0 HG23 THR A 28 8.900 1.537 8.005 1.00 10.00 H new ATOM 440 N GLY A 29 6.553 -1.495 6.390 1.00 10.00 N ATOM 441 CA GLY A 29 5.142 -1.537 6.030 1.00 10.00 C ATOM 442 C GLY A 29 4.523 -2.832 6.532 1.00 10.00 C ATOM 443 O GLY A 29 5.241 -3.826 6.659 1.00 10.00 O ATOM 0 H GLY A 29 7.184 -1.795 5.647 1.00 10.00 H new ATOM 0 HA2 GLY A 29 4.621 -0.682 6.462 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.031 -1.465 4.948 1.00 10.00 H new ATOM 447 N PRO A 30 3.218 -2.849 6.848 1.00 10.00 N ATOM 448 CA PRO A 30 2.591 -4.075 7.263 1.00 10.00 C ATOM 449 C PRO A 30 2.296 -4.972 6.079 1.00 10.00 C ATOM 450 O PRO A 30 2.497 -4.625 4.910 1.00 10.00 O ATOM 451 CB PRO A 30 1.346 -3.667 8.064 1.00 10.00 C ATOM 452 CG PRO A 30 0.984 -2.282 7.524 1.00 10.00 C ATOM 453 CD PRO A 30 2.274 -1.738 6.893 1.00 10.00 C ATOM 0 HA PRO A 30 3.245 -4.678 7.893 1.00 10.00 H new ATOM 0 HB2 PRO A 30 0.530 -4.376 7.919 1.00 10.00 H new ATOM 0 HB3 PRO A 30 1.554 -3.635 9.133 1.00 10.00 H new ATOM 0 HG2 PRO A 30 0.183 -2.345 6.787 1.00 10.00 H new ATOM 0 HG3 PRO A 30 0.632 -1.629 8.323 1.00 10.00 H new ATOM 0 HD2 PRO A 30 2.082 -1.352 5.892 1.00 10.00 H new ATOM 0 HD3 PRO A 30 2.675 -0.913 7.482 1.00 10.00 H new ATOM 461 N ASN A 31 1.901 -6.191 6.445 1.00 10.00 N ATOM 462 CA ASN A 31 1.658 -7.267 5.518 1.00 10.00 C ATOM 463 C ASN A 31 0.432 -6.867 4.724 1.00 10.00 C ATOM 464 O ASN A 31 -0.696 -6.925 5.201 1.00 10.00 O ATOM 465 CB ASN A 31 1.424 -8.557 6.315 1.00 10.00 C ATOM 466 CG ASN A 31 1.116 -9.797 5.477 1.00 10.00 C ATOM 467 OD1 ASN A 31 0.337 -10.640 5.906 1.00 10.00 O ATOM 468 ND2 ASN A 31 1.746 -9.970 4.315 1.00 10.00 N ATOM 0 H ASN A 31 1.741 -6.451 7.418 1.00 10.00 H new ATOM 0 HA ASN A 31 2.496 -7.447 4.844 1.00 10.00 H new ATOM 0 HB2 ASN A 31 2.310 -8.757 6.918 1.00 10.00 H new ATOM 0 HB3 ASN A 31 0.598 -8.392 7.007 1.00 10.00 H new ATOM 0 HD21 ASN A 31 1.583 -10.815 3.767 1.00 10.00 H new ATOM 0 HD22 ASN A 31 2.391 -9.257 3.974 1.00 10.00 H new ATOM 475 N LEU A 32 0.722 -6.405 3.521 1.00 10.00 N ATOM 476 CA LEU A 32 -0.189 -5.782 2.593 1.00 10.00 C ATOM 477 C LEU A 32 -1.169 -6.867 2.085 1.00 10.00 C ATOM 478 O LEU A 32 -2.258 -6.578 1.600 1.00 10.00 O ATOM 479 CB LEU A 32 0.740 -5.145 1.539 1.00 10.00 C ATOM 480 CG LEU A 32 0.370 -3.775 0.962 1.00 10.00 C ATOM 481 CD1 LEU A 32 1.415 -3.275 -0.046 1.00 10.00 C ATOM 482 CD2 LEU A 32 -0.946 -3.852 0.224 1.00 10.00 C ATOM 0 H LEU A 32 1.669 -6.462 3.146 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.839 -5.003 2.991 1.00 10.00 H new ATOM 0 HB2 LEU A 32 1.732 -5.060 1.982 1.00 10.00 H new ATOM 0 HB3 LEU A 32 0.822 -5.843 0.706 1.00 10.00 H new ATOM 0 HG LEU A 32 0.314 -3.092 1.809 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.113 -2.301 -0.430 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.383 -3.186 0.447 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.492 -3.983 -0.872 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.195 -2.871 -0.180 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -0.864 -4.570 -0.592 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.730 -4.171 0.911 1.00 10.00 H new ATOM 494 N HIS A 33 -0.815 -8.150 2.235 1.00 10.00 N ATOM 495 CA HIS A 33 -1.736 -9.267 2.055 1.00 10.00 C ATOM 496 C HIS A 33 -3.044 -9.041 2.830 1.00 10.00 C ATOM 497 O HIS A 33 -3.029 -8.557 3.959 1.00 10.00 O ATOM 498 CB HIS A 33 -1.029 -10.565 2.460 1.00 10.00 C ATOM 499 CG HIS A 33 -1.911 -11.747 2.741 1.00 10.00 C ATOM 500 ND1 HIS A 33 -2.254 -12.767 1.880 1.00 10.00 N ATOM 501 CD2 HIS A 33 -2.332 -12.094 3.993 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.922 -13.685 2.606 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.989 -13.322 3.900 1.00 10.00 N ATOM 0 H HIS A 33 0.130 -8.439 2.487 1.00 10.00 H new ATOM 0 HA HIS A 33 -2.020 -9.344 1.006 1.00 10.00 H new ATOM 0 HB2 HIS A 33 -0.335 -10.838 1.665 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -0.432 -10.365 3.350 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -2.183 -11.520 4.895 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -3.347 -14.592 2.203 1.00 10.00 H new ATOM 0 HE2 HIS A 33 -3.431 -13.840 4.660 1.00 10.00 H new ATOM 511 N GLY A 34 -4.188 -9.363 2.218 1.00 10.00 N ATOM 512 CA GLY A 34 -5.496 -9.123 2.815 1.00 10.00 C ATOM 513 C GLY A 34 -5.890 -7.643 2.894 1.00 10.00 C ATOM 514 O GLY A 34 -6.891 -7.317 3.531 1.00 10.00 O ATOM 0 H GLY A 34 -4.228 -9.797 1.296 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.250 -9.658 2.237 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -5.507 -9.544 3.820 1.00 10.00 H new ATOM 518 N LEU A 35 -5.150 -6.743 2.235 1.00 10.00 N ATOM 519 CA LEU A 35 -5.512 -5.335 2.109 1.00 10.00 C ATOM 520 C LEU A 35 -6.932 -5.189 1.562 1.00 10.00 C ATOM 521 O LEU A 35 -7.774 -4.496 2.133 1.00 10.00 O ATOM 522 CB LEU A 35 -4.477 -4.693 1.175 1.00 10.00 C ATOM 523 CG LEU A 35 -4.700 -3.287 0.591 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.294 -2.222 1.606 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.887 -3.131 -0.694 1.00 10.00 C ATOM 0 H LEU A 35 -4.273 -6.980 1.770 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.505 -4.838 3.079 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.531 -4.667 1.716 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.344 -5.371 0.332 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.758 -3.159 0.362 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.457 -1.232 1.180 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.895 -2.332 2.509 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.240 -2.340 1.856 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -4.046 -2.135 -1.106 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.828 -3.268 -0.474 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -4.206 -3.879 -1.420 1.00 10.00 H new ATOM 537 N PHE A 36 -7.192 -5.850 0.436 1.00 10.00 N ATOM 538 CA PHE A 36 -8.493 -5.834 -0.201 1.00 10.00 C ATOM 539 C PHE A 36 -9.475 -6.687 0.589 1.00 10.00 C ATOM 540 O PHE A 36 -9.393 -7.912 0.575 1.00 10.00 O ATOM 541 CB PHE A 36 -8.355 -6.298 -1.651 1.00 10.00 C ATOM 542 CG PHE A 36 -7.431 -5.444 -2.500 1.00 10.00 C ATOM 543 CD1 PHE A 36 -7.287 -4.067 -2.255 1.00 10.00 C ATOM 544 CD2 PHE A 36 -6.802 -6.011 -3.619 1.00 10.00 C ATOM 545 CE1 PHE A 36 -6.560 -3.268 -3.141 1.00 10.00 C ATOM 546 CE2 PHE A 36 -6.070 -5.200 -4.506 1.00 10.00 C ATOM 547 CZ PHE A 36 -5.927 -3.831 -4.255 1.00 10.00 C ATOM 0 H PHE A 36 -6.498 -6.412 -0.057 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.891 -4.819 -0.213 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -7.988 -7.324 -1.657 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.343 -6.310 -2.111 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -7.740 -3.626 -1.379 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -6.880 -7.073 -3.800 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -6.486 -2.205 -2.964 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -5.617 -5.636 -5.384 1.00 10.00 H new ATOM 0 HZ PHE A 36 -5.334 -3.215 -4.914 1.00 10.00 H new ATOM 557 N GLY A 37 -10.415 -6.012 1.253 1.00 10.00 N ATOM 558 CA GLY A 37 -11.450 -6.621 2.070 1.00 10.00 C ATOM 559 C GLY A 37 -11.197 -6.375 3.555 1.00 10.00 C ATOM 560 O GLY A 37 -11.588 -7.187 4.390 1.00 10.00 O ATOM 0 H GLY A 37 -10.473 -4.994 1.232 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.423 -6.215 1.792 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.485 -7.693 1.877 1.00 10.00 H new ATOM 564 N ARG A 38 -10.571 -5.243 3.897 1.00 10.00 N ATOM 565 CA ARG A 38 -10.334 -4.845 5.270 1.00 10.00 C ATOM 566 C ARG A 38 -10.234 -3.316 5.303 1.00 10.00 C ATOM 567 O ARG A 38 -9.649 -2.704 4.410 1.00 10.00 O ATOM 568 CB ARG A 38 -9.069 -5.551 5.778 1.00 10.00 C ATOM 569 CG ARG A 38 -8.865 -5.402 7.291 1.00 10.00 C ATOM 570 CD ARG A 38 -7.571 -6.114 7.716 1.00 10.00 C ATOM 571 NE ARG A 38 -7.823 -7.452 8.280 1.00 10.00 N ATOM 572 CZ ARG A 38 -6.854 -8.284 8.698 1.00 10.00 C ATOM 573 NH1 ARG A 38 -5.571 -7.930 8.555 1.00 10.00 N ATOM 574 NH2 ARG A 38 -7.167 -9.458 9.261 1.00 10.00 N ATOM 0 H ARG A 38 -10.214 -4.576 3.212 1.00 10.00 H new ATOM 0 HA ARG A 38 -11.146 -5.139 5.935 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -9.125 -6.610 5.527 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -8.200 -5.146 5.258 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -8.814 -4.346 7.558 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -9.716 -5.825 7.825 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -6.910 -6.205 6.854 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -7.050 -5.504 8.454 1.00 10.00 H new ATOM 0 HE ARG A 38 -8.791 -7.765 8.358 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -5.334 -7.033 8.131 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -4.831 -8.557 8.870 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -8.145 -9.725 9.374 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -6.427 -10.086 9.576 1.00 10.00 H new ATOM 588 N LYS A 39 -10.860 -2.701 6.309 1.00 10.00 N ATOM 589 CA LYS A 39 -10.795 -1.266 6.561 1.00 10.00 C ATOM 590 C LYS A 39 -9.389 -0.898 7.057 1.00 10.00 C ATOM 591 O LYS A 39 -8.590 -1.775 7.379 1.00 10.00 O ATOM 592 CB LYS A 39 -11.891 -0.909 7.576 1.00 10.00 C ATOM 593 CG LYS A 39 -13.277 -1.086 6.933 1.00 10.00 C ATOM 594 CD LYS A 39 -14.427 -1.010 7.953 1.00 10.00 C ATOM 595 CE LYS A 39 -15.270 -2.298 8.056 1.00 10.00 C ATOM 596 NZ LYS A 39 -14.781 -3.243 9.085 1.00 10.00 N ATOM 0 H LYS A 39 -11.438 -3.201 6.984 1.00 10.00 H new ATOM 0 HA LYS A 39 -10.972 -0.692 5.651 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.805 -1.546 8.456 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -11.766 0.120 7.913 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -13.420 -0.317 6.174 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -13.314 -2.048 6.422 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -14.012 -0.782 8.935 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -15.082 -0.181 7.684 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -16.302 -2.030 8.281 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -15.275 -2.798 7.088 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -15.391 -4.085 9.101 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -13.806 -3.527 8.861 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -14.802 -2.782 10.017 1.00 10.00 H new ATOM 610 N THR A 40 -9.074 0.396 7.118 1.00 10.00 N ATOM 611 CA THR A 40 -7.806 0.891 7.614 1.00 10.00 C ATOM 612 C THR A 40 -7.732 0.698 9.128 1.00 10.00 C ATOM 613 O THR A 40 -8.681 0.234 9.756 1.00 10.00 O ATOM 614 CB THR A 40 -7.705 2.378 7.257 1.00 10.00 C ATOM 615 OG1 THR A 40 -8.792 3.073 7.827 1.00 10.00 O ATOM 616 CG2 THR A 40 -7.758 2.597 5.747 1.00 10.00 C ATOM 0 H THR A 40 -9.709 1.136 6.817 1.00 10.00 H new ATOM 0 HA THR A 40 -6.978 0.345 7.162 1.00 10.00 H new ATOM 0 HB THR A 40 -6.753 2.743 7.642 1.00 10.00 H new ATOM 0 HG1 THR A 40 -8.618 3.229 8.779 1.00 10.00 H new ATOM 0 HG21 THR A 40 -7.684 3.663 5.531 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.928 2.072 5.274 1.00 10.00 H new ATOM 0 HG23 THR A 40 -8.700 2.212 5.356 1.00 10.00 H new ATOM 624 N GLY A 41 -6.619 1.126 9.723 1.00 10.00 N ATOM 625 CA GLY A 41 -6.377 0.968 11.152 1.00 10.00 C ATOM 626 C GLY A 41 -6.582 -0.475 11.610 1.00 10.00 C ATOM 627 O GLY A 41 -7.073 -0.717 12.711 1.00 10.00 O ATOM 0 H GLY A 41 -5.861 1.592 9.225 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -5.359 1.281 11.384 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -7.047 1.624 11.708 1.00 10.00 H new ATOM 631 N GLN A 42 -6.215 -1.432 10.755 1.00 10.00 N ATOM 632 CA GLN A 42 -6.373 -2.857 10.980 1.00 10.00 C ATOM 633 C GLN A 42 -5.149 -3.528 10.376 1.00 10.00 C ATOM 634 O GLN A 42 -4.907 -3.393 9.179 1.00 10.00 O ATOM 635 CB GLN A 42 -7.610 -3.382 10.246 1.00 10.00 C ATOM 636 CG GLN A 42 -8.955 -2.800 10.706 1.00 10.00 C ATOM 637 CD GLN A 42 -9.704 -3.763 11.614 1.00 10.00 C ATOM 638 OE1 GLN A 42 -10.650 -4.417 11.185 1.00 10.00 O ATOM 639 NE2 GLN A 42 -9.283 -3.865 12.870 1.00 10.00 N ATOM 0 H GLN A 42 -5.784 -1.220 9.855 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.482 -3.061 12.045 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.492 -3.178 9.182 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -7.645 -4.465 10.361 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.784 -1.861 11.233 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.569 -2.569 9.835 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -8.493 -3.305 13.190 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -9.750 -4.504 13.514 1.00 10.00 H new ATOM 648 N ALA A 43 -4.381 -4.248 11.188 1.00 10.00 N ATOM 649 CA ALA A 43 -3.168 -4.916 10.761 1.00 10.00 C ATOM 650 C ALA A 43 -2.775 -5.858 11.906 1.00 10.00 C ATOM 651 O ALA A 43 -3.475 -5.874 12.921 1.00 10.00 O ATOM 652 CB ALA A 43 -2.095 -3.859 10.434 1.00 10.00 C ATOM 0 H ALA A 43 -4.592 -4.383 12.177 1.00 10.00 H new ATOM 0 HA ALA A 43 -3.295 -5.501 9.850 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.180 -4.357 10.112 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -2.455 -3.210 9.636 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -1.890 -3.262 11.322 1.00 10.00 H new ATOM 658 N PRO A 44 -1.698 -6.646 11.765 1.00 10.00 N ATOM 659 CA PRO A 44 -1.140 -7.415 12.867 1.00 10.00 C ATOM 660 C PRO A 44 -0.513 -6.459 13.889 1.00 10.00 C ATOM 661 O PRO A 44 -0.678 -5.248 13.763 1.00 10.00 O ATOM 662 CB PRO A 44 -0.155 -8.394 12.217 1.00 10.00 C ATOM 663 CG PRO A 44 0.237 -7.744 10.887 1.00 10.00 C ATOM 664 CD PRO A 44 -0.892 -6.762 10.565 1.00 10.00 C ATOM 0 HA PRO A 44 -1.877 -7.982 13.435 1.00 10.00 H new ATOM 0 HB2 PRO A 44 0.718 -8.553 12.850 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -0.616 -9.369 12.058 1.00 10.00 H new ATOM 0 HG2 PRO A 44 1.194 -7.229 10.969 1.00 10.00 H new ATOM 0 HG3 PRO A 44 0.343 -8.492 10.101 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -0.490 -5.792 10.274 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -1.492 -7.122 9.729 1.00 10.00 H new ATOM 672 N GLY A 45 0.190 -7.000 14.897 1.00 10.00 N ATOM 673 CA GLY A 45 0.749 -6.255 16.029 1.00 10.00 C ATOM 674 C GLY A 45 1.212 -4.851 15.642 1.00 10.00 C ATOM 675 O GLY A 45 0.728 -3.858 16.179 1.00 10.00 O ATOM 0 H GLY A 45 0.389 -7.999 14.945 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.002 -6.181 16.816 1.00 10.00 H new ATOM 0 HA3 GLY A 45 1.591 -6.809 16.443 1.00 10.00 H new ATOM 679 N PHE A 46 2.105 -4.806 14.647 1.00 10.00 N ATOM 680 CA PHE A 46 2.545 -3.600 13.961 1.00 10.00 C ATOM 681 C PHE A 46 2.843 -2.462 14.963 1.00 10.00 C ATOM 682 O PHE A 46 3.452 -2.716 16.000 1.00 10.00 O ATOM 683 CB PHE A 46 1.478 -3.243 12.902 1.00 10.00 C ATOM 684 CG PHE A 46 1.913 -2.247 11.846 1.00 10.00 C ATOM 685 CD1 PHE A 46 3.136 -2.443 11.184 1.00 10.00 C ATOM 686 CD2 PHE A 46 1.128 -1.116 11.540 1.00 10.00 C ATOM 687 CE1 PHE A 46 3.644 -1.448 10.342 1.00 10.00 C ATOM 688 CE2 PHE A 46 1.638 -0.119 10.688 1.00 10.00 C ATOM 689 CZ PHE A 46 2.925 -0.260 10.139 1.00 10.00 C ATOM 0 H PHE A 46 2.556 -5.647 14.288 1.00 10.00 H new ATOM 0 HA PHE A 46 3.492 -3.764 13.447 1.00 10.00 H new ATOM 0 HB2 PHE A 46 1.165 -4.161 12.404 1.00 10.00 H new ATOM 0 HB3 PHE A 46 0.603 -2.844 13.414 1.00 10.00 H new ATOM 0 HD1 PHE A 46 3.685 -3.362 11.325 1.00 10.00 H new ATOM 0 HD2 PHE A 46 0.138 -1.015 11.959 1.00 10.00 H new ATOM 0 HE1 PHE A 46 4.592 -1.595 9.847 1.00 10.00 H new ATOM 0 HE2 PHE A 46 1.043 0.752 10.456 1.00 10.00 H new ATOM 0 HZ PHE A 46 3.359 0.544 9.563 1.00 10.00 H new ATOM 699 N THR A 47 2.404 -1.225 14.689 1.00 10.00 N ATOM 700 CA THR A 47 2.317 -0.170 15.699 1.00 10.00 C ATOM 701 C THR A 47 1.254 0.886 15.371 1.00 10.00 C ATOM 702 O THR A 47 1.301 1.986 15.916 1.00 10.00 O ATOM 703 CB THR A 47 3.707 0.449 15.962 1.00 10.00 C ATOM 704 OG1 THR A 47 3.656 1.391 17.015 1.00 10.00 O ATOM 705 CG2 THR A 47 4.273 1.129 14.712 1.00 10.00 C ATOM 0 H THR A 47 2.100 -0.932 13.760 1.00 10.00 H new ATOM 0 HA THR A 47 1.980 -0.635 16.626 1.00 10.00 H new ATOM 0 HB THR A 47 4.364 -0.374 16.242 1.00 10.00 H new ATOM 0 HG1 THR A 47 2.785 1.840 17.010 1.00 10.00 H new ATOM 0 HG21 THR A 47 5.252 1.552 14.939 1.00 10.00 H new ATOM 0 HG22 THR A 47 4.371 0.395 13.912 1.00 10.00 H new ATOM 0 HG23 THR A 47 3.599 1.925 14.394 1.00 10.00 H new ATOM 713 N TYR A 48 0.297 0.552 14.501 1.00 10.00 N ATOM 714 CA TYR A 48 -0.805 1.412 14.100 1.00 10.00 C ATOM 715 C TYR A 48 -0.349 2.841 13.798 1.00 10.00 C ATOM 716 O TYR A 48 -0.676 3.777 14.526 1.00 10.00 O ATOM 717 CB TYR A 48 -1.919 1.394 15.155 1.00 10.00 C ATOM 718 CG TYR A 48 -2.615 0.061 15.329 1.00 10.00 C ATOM 719 CD1 TYR A 48 -3.647 -0.305 14.446 1.00 10.00 C ATOM 720 CD2 TYR A 48 -2.281 -0.783 16.406 1.00 10.00 C ATOM 721 CE1 TYR A 48 -4.328 -1.521 14.625 1.00 10.00 C ATOM 722 CE2 TYR A 48 -2.977 -1.989 16.593 1.00 10.00 C ATOM 723 CZ TYR A 48 -3.988 -2.366 15.695 1.00 10.00 C ATOM 724 OH TYR A 48 -4.650 -3.543 15.875 1.00 10.00 O ATOM 0 H TYR A 48 0.273 -0.359 14.043 1.00 10.00 H new ATOM 0 HA TYR A 48 -1.206 1.010 13.169 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.495 1.693 16.114 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -2.664 2.143 14.888 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -3.916 0.349 13.630 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -1.491 -0.503 17.087 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -5.113 -1.806 13.940 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -2.734 -2.627 17.429 1.00 10.00 H new ATOM 0 HH TYR A 48 -4.289 -4.005 16.660 1.00 10.00 H new ATOM 734 N THR A 49 0.398 2.992 12.704 1.00 10.00 N ATOM 735 CA THR A 49 0.913 4.283 12.273 1.00 10.00 C ATOM 736 C THR A 49 -0.226 5.300 12.155 1.00 10.00 C ATOM 737 O THR A 49 -1.295 4.945 11.665 1.00 10.00 O ATOM 738 CB THR A 49 1.621 4.104 10.924 1.00 10.00 C ATOM 739 OG1 THR A 49 2.726 3.232 11.065 1.00 10.00 O ATOM 740 CG2 THR A 49 2.099 5.431 10.323 1.00 10.00 C ATOM 0 H THR A 49 0.661 2.218 12.094 1.00 10.00 H new ATOM 0 HA THR A 49 1.622 4.662 13.009 1.00 10.00 H new ATOM 0 HB THR A 49 0.886 3.678 10.241 1.00 10.00 H new ATOM 0 HG1 THR A 49 2.429 2.306 10.947 1.00 10.00 H new ATOM 0 HG21 THR A 49 2.592 5.242 9.370 1.00 10.00 H new ATOM 0 HG22 THR A 49 1.244 6.088 10.165 1.00 10.00 H new ATOM 0 HG23 THR A 49 2.801 5.908 11.007 1.00 10.00 H new ATOM 748 N ASP A 50 0.015 6.553 12.556 1.00 10.00 N ATOM 749 CA ASP A 50 -0.938 7.660 12.563 1.00 10.00 C ATOM 750 C ASP A 50 -1.776 7.660 11.291 1.00 10.00 C ATOM 751 O ASP A 50 -2.994 7.573 11.351 1.00 10.00 O ATOM 752 CB ASP A 50 -0.196 8.998 12.727 1.00 10.00 C ATOM 753 CG ASP A 50 0.842 8.951 13.839 1.00 10.00 C ATOM 754 OD1 ASP A 50 1.804 8.169 13.653 1.00 10.00 O ATOM 755 OD2 ASP A 50 0.641 9.658 14.847 1.00 10.00 O ATOM 0 H ASP A 50 0.932 6.834 12.903 1.00 10.00 H new ATOM 0 HA ASP A 50 -1.613 7.531 13.409 1.00 10.00 H new ATOM 0 HB2 ASP A 50 0.293 9.257 11.788 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -0.917 9.787 12.940 1.00 10.00 H new ATOM 760 N ALA A 51 -1.117 7.724 10.135 1.00 10.00 N ATOM 761 CA ALA A 51 -1.757 7.687 8.829 1.00 10.00 C ATOM 762 C ALA A 51 -2.657 6.453 8.728 1.00 10.00 C ATOM 763 O ALA A 51 -3.863 6.563 8.505 1.00 10.00 O ATOM 764 CB ALA A 51 -0.688 7.709 7.728 1.00 10.00 C ATOM 0 H ALA A 51 -0.102 7.805 10.084 1.00 10.00 H new ATOM 0 HA ALA A 51 -2.387 8.567 8.698 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.171 7.681 6.751 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.096 8.620 7.814 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.037 6.841 7.836 1.00 10.00 H new ATOM 770 N ASN A 52 -2.087 5.274 8.983 1.00 10.00 N ATOM 771 CA ASN A 52 -2.771 3.984 8.971 1.00 10.00 C ATOM 772 C ASN A 52 -3.603 3.785 10.238 1.00 10.00 C ATOM 773 O ASN A 52 -3.567 2.724 10.853 1.00 10.00 O ATOM 774 CB ASN A 52 -1.742 2.854 8.835 1.00 10.00 C ATOM 775 CG ASN A 52 -2.401 1.520 8.511 1.00 10.00 C ATOM 776 OD1 ASN A 52 -2.388 0.582 9.302 1.00 10.00 O ATOM 777 ND2 ASN A 52 -2.972 1.424 7.316 1.00 10.00 N ATOM 0 H ASN A 52 -1.097 5.191 9.212 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.449 3.965 8.118 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -1.028 3.106 8.051 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -1.177 2.764 9.763 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -3.417 0.551 7.032 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -2.965 2.223 6.682 1.00 10.00 H new ATOM 784 N LYS A 53 -4.371 4.797 10.631 1.00 10.00 N ATOM 785 CA LYS A 53 -5.233 4.735 11.800 1.00 10.00 C ATOM 786 C LYS A 53 -6.216 5.898 11.766 1.00 10.00 C ATOM 787 O LYS A 53 -7.418 5.699 11.920 1.00 10.00 O ATOM 788 CB LYS A 53 -4.405 4.734 13.097 1.00 10.00 C ATOM 789 CG LYS A 53 -5.132 3.931 14.181 1.00 10.00 C ATOM 790 CD LYS A 53 -4.435 4.090 15.542 1.00 10.00 C ATOM 791 CE LYS A 53 -5.158 5.077 16.466 1.00 10.00 C ATOM 792 NZ LYS A 53 -6.464 4.552 16.921 1.00 10.00 N ATOM 0 H LYS A 53 -4.411 5.690 10.140 1.00 10.00 H new ATOM 0 HA LYS A 53 -5.796 3.802 11.781 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -3.422 4.302 12.910 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -4.244 5.757 13.437 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -6.166 4.267 14.256 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -5.159 2.878 13.902 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -4.376 3.118 16.031 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -3.412 4.430 15.384 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -4.531 5.290 17.332 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -5.309 6.021 15.942 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -6.787 5.094 17.748 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -7.161 4.643 16.154 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -6.364 3.550 17.181 1.00 10.00 H new ATOM 806 N ASN A 54 -5.701 7.109 11.542 1.00 10.00 N ATOM 807 CA ASN A 54 -6.518 8.305 11.395 1.00 10.00 C ATOM 808 C ASN A 54 -7.358 8.232 10.123 1.00 10.00 C ATOM 809 O ASN A 54 -8.392 8.887 10.059 1.00 10.00 O ATOM 810 CB ASN A 54 -5.658 9.585 11.399 1.00 10.00 C ATOM 811 CG ASN A 54 -5.951 10.462 12.611 1.00 10.00 C ATOM 812 OD1 ASN A 54 -6.540 11.530 12.491 1.00 10.00 O ATOM 813 ND2 ASN A 54 -5.535 10.021 13.795 1.00 10.00 N ATOM 0 H ASN A 54 -4.700 7.283 11.458 1.00 10.00 H new ATOM 0 HA ASN A 54 -7.187 8.351 12.254 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -4.602 9.313 11.394 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -5.846 10.152 10.487 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -5.704 10.576 14.634 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -5.047 9.128 13.864 1.00 10.00 H new ATOM 820 N LYS A 55 -6.918 7.478 9.103 1.00 10.00 N ATOM 821 CA LYS A 55 -7.596 7.508 7.813 1.00 10.00 C ATOM 822 C LYS A 55 -9.059 7.081 7.934 1.00 10.00 C ATOM 823 O LYS A 55 -9.958 7.822 7.549 1.00 10.00 O ATOM 824 CB LYS A 55 -6.834 6.647 6.796 1.00 10.00 C ATOM 825 CG LYS A 55 -6.889 7.264 5.393 1.00 10.00 C ATOM 826 CD LYS A 55 -5.717 6.731 4.555 1.00 10.00 C ATOM 827 CE LYS A 55 -5.460 7.614 3.328 1.00 10.00 C ATOM 828 NZ LYS A 55 -5.985 7.050 2.070 1.00 10.00 N ATOM 0 H LYS A 55 -6.112 6.855 9.151 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.602 8.537 7.453 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -5.795 6.543 7.110 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.261 5.645 6.772 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.836 7.018 4.912 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -6.838 8.351 5.459 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -4.818 6.689 5.170 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -5.931 5.712 4.233 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -5.912 8.592 3.494 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -4.387 7.773 3.224 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -5.404 7.379 1.273 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -5.954 6.011 2.116 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -6.968 7.362 1.933 1.00 10.00 H new ATOM 842 N GLY A 56 -9.285 5.875 8.457 1.00 10.00 N ATOM 843 CA GLY A 56 -10.621 5.353 8.685 1.00 10.00 C ATOM 844 C GLY A 56 -11.385 5.161 7.374 1.00 10.00 C ATOM 845 O GLY A 56 -12.497 5.660 7.226 1.00 10.00 O ATOM 0 H GLY A 56 -8.540 5.235 8.733 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.555 4.400 9.210 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.173 6.036 9.331 1.00 10.00 H new ATOM 849 N ILE A 57 -10.791 4.427 6.426 1.00 10.00 N ATOM 850 CA ILE A 57 -11.368 4.148 5.112 1.00 10.00 C ATOM 851 C ILE A 57 -11.190 2.674 4.747 1.00 10.00 C ATOM 852 O ILE A 57 -10.894 1.858 5.619 1.00 10.00 O ATOM 853 CB ILE A 57 -10.825 5.130 4.042 1.00 10.00 C ATOM 854 CG1 ILE A 57 -9.372 4.866 3.610 1.00 10.00 C ATOM 855 CG2 ILE A 57 -10.995 6.582 4.498 1.00 10.00 C ATOM 856 CD1 ILE A 57 -8.986 5.662 2.365 1.00 10.00 C ATOM 0 H ILE A 57 -9.873 4.002 6.558 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.443 4.323 5.150 1.00 10.00 H new ATOM 0 HB ILE A 57 -11.431 4.950 3.154 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -8.699 5.125 4.428 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -9.241 3.802 3.414 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -10.607 7.252 3.731 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -12.052 6.791 4.661 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -10.447 6.738 5.427 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -7.952 5.443 2.099 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -9.640 5.385 1.538 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -9.090 6.728 2.568 1.00 10.00 H new ATOM 868 N THR A 58 -11.379 2.334 3.469 1.00 10.00 N ATOM 869 CA THR A 58 -11.156 1.005 2.927 1.00 10.00 C ATOM 870 C THR A 58 -10.097 1.065 1.827 1.00 10.00 C ATOM 871 O THR A 58 -9.756 2.138 1.322 1.00 10.00 O ATOM 872 CB THR A 58 -12.478 0.387 2.448 1.00 10.00 C ATOM 873 OG1 THR A 58 -12.281 -0.929 1.964 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.147 1.246 1.377 1.00 10.00 C ATOM 0 H THR A 58 -11.701 3.001 2.768 1.00 10.00 H new ATOM 0 HA THR A 58 -10.774 0.349 3.710 1.00 10.00 H new ATOM 0 HB THR A 58 -13.142 0.345 3.312 1.00 10.00 H new ATOM 0 HG1 THR A 58 -13.138 -1.300 1.667 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.079 0.776 1.063 1.00 10.00 H new ATOM 0 HG22 THR A 58 -13.358 2.235 1.783 1.00 10.00 H new ATOM 0 HG23 THR A 58 -12.482 1.341 0.519 1.00 10.00 H new ATOM 882 N TRP A 59 -9.607 -0.111 1.444 1.00 10.00 N ATOM 883 CA TRP A 59 -8.645 -0.302 0.382 1.00 10.00 C ATOM 884 C TRP A 59 -9.256 -1.228 -0.660 1.00 10.00 C ATOM 885 O TRP A 59 -9.781 -2.283 -0.304 1.00 10.00 O ATOM 886 CB TRP A 59 -7.389 -0.903 0.991 1.00 10.00 C ATOM 887 CG TRP A 59 -6.792 -0.082 2.088 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.835 -0.374 3.407 1.00 10.00 C ATOM 889 CD2 TRP A 59 -6.122 1.207 1.978 1.00 10.00 C ATOM 890 NE1 TRP A 59 -6.095 0.567 4.096 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.675 1.593 3.273 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.871 2.102 0.916 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.985 2.796 3.499 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -5.235 3.335 1.141 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.782 3.678 2.427 1.00 10.00 C ATOM 0 H TRP A 59 -9.885 -0.986 1.887 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.386 0.638 -0.104 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.624 -1.894 1.380 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.645 -1.037 0.206 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -7.362 -1.207 3.850 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.884 0.511 5.092 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -6.173 1.835 -0.086 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.616 3.038 4.485 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -5.093 4.023 0.321 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -4.278 4.619 2.589 1.00 10.00 H new ATOM 906 N LYS A 60 -9.223 -0.827 -1.933 1.00 10.00 N ATOM 907 CA LYS A 60 -9.773 -1.602 -3.022 1.00 10.00 C ATOM 908 C LYS A 60 -9.043 -1.257 -4.326 1.00 10.00 C ATOM 909 O LYS A 60 -8.431 -2.134 -4.924 1.00 10.00 O ATOM 910 CB LYS A 60 -11.289 -1.381 -3.075 1.00 10.00 C ATOM 911 CG LYS A 60 -11.798 -1.781 -4.455 1.00 10.00 C ATOM 912 CD LYS A 60 -13.226 -2.321 -4.463 1.00 10.00 C ATOM 913 CE LYS A 60 -13.572 -2.707 -5.913 1.00 10.00 C ATOM 914 NZ LYS A 60 -13.903 -4.137 -6.053 1.00 10.00 N ATOM 0 H LYS A 60 -8.807 0.056 -2.229 1.00 10.00 H new ATOM 0 HA LYS A 60 -9.617 -2.670 -2.867 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -11.783 -1.973 -2.305 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -11.525 -0.336 -2.874 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -11.745 -0.915 -5.114 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.133 -2.538 -4.870 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -13.311 -3.187 -3.806 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -13.922 -1.569 -4.091 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -14.416 -2.107 -6.254 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -12.728 -2.468 -6.560 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -14.128 -4.346 -7.047 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -13.090 -4.712 -5.754 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -14.725 -4.363 -5.457 1.00 10.00 H new ATOM 928 N GLU A 61 -9.117 -0.004 -4.779 1.00 10.00 N ATOM 929 CA GLU A 61 -8.373 0.459 -5.947 1.00 10.00 C ATOM 930 C GLU A 61 -8.450 1.978 -6.045 1.00 10.00 C ATOM 931 O GLU A 61 -7.418 2.621 -6.164 1.00 10.00 O ATOM 932 CB GLU A 61 -8.781 -0.249 -7.253 1.00 10.00 C ATOM 933 CG GLU A 61 -10.234 -0.018 -7.694 1.00 10.00 C ATOM 934 CD GLU A 61 -10.691 -1.086 -8.690 1.00 10.00 C ATOM 935 OE1 GLU A 61 -10.966 -2.228 -8.243 1.00 10.00 O ATOM 936 OE2 GLU A 61 -10.752 -0.758 -9.891 1.00 10.00 O ATOM 0 H GLU A 61 -9.695 0.716 -4.345 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.329 0.181 -5.805 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -8.118 0.085 -8.051 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.620 -1.320 -7.133 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.887 -0.029 -6.821 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -10.326 0.969 -8.148 1.00 10.00 H new ATOM 943 N GLU A 62 -9.650 2.554 -5.933 1.00 10.00 N ATOM 944 CA GLU A 62 -9.870 3.997 -5.912 1.00 10.00 C ATOM 945 C GLU A 62 -8.991 4.687 -4.870 1.00 10.00 C ATOM 946 O GLU A 62 -8.192 5.567 -5.188 1.00 10.00 O ATOM 947 CB GLU A 62 -11.348 4.252 -5.585 1.00 10.00 C ATOM 948 CG GLU A 62 -12.236 4.084 -6.821 1.00 10.00 C ATOM 949 CD GLU A 62 -13.693 3.859 -6.435 1.00 10.00 C ATOM 950 OE1 GLU A 62 -14.090 4.396 -5.378 1.00 10.00 O ATOM 951 OE2 GLU A 62 -14.371 3.129 -7.187 1.00 10.00 O ATOM 0 H GLU A 62 -10.513 2.016 -5.853 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.608 4.408 -6.887 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.673 3.562 -4.806 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.464 5.260 -5.187 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -12.158 4.971 -7.450 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -11.881 3.241 -7.414 1.00 10.00 H new ATOM 958 N THR A 63 -9.160 4.305 -3.603 1.00 10.00 N ATOM 959 CA THR A 63 -8.464 4.957 -2.513 1.00 10.00 C ATOM 960 C THR A 63 -6.961 4.823 -2.724 1.00 10.00 C ATOM 961 O THR A 63 -6.235 5.813 -2.690 1.00 10.00 O ATOM 962 CB THR A 63 -8.917 4.355 -1.180 1.00 10.00 C ATOM 963 OG1 THR A 63 -8.845 2.942 -1.217 1.00 10.00 O ATOM 964 CG2 THR A 63 -10.363 4.764 -0.895 1.00 10.00 C ATOM 0 H THR A 63 -9.776 3.545 -3.315 1.00 10.00 H new ATOM 0 HA THR A 63 -8.704 6.020 -2.490 1.00 10.00 H new ATOM 0 HB THR A 63 -8.257 4.727 -0.397 1.00 10.00 H new ATOM 0 HG1 THR A 63 -9.698 2.563 -0.919 1.00 10.00 H new ATOM 0 HG21 THR A 63 -10.682 4.334 0.054 1.00 10.00 H new ATOM 0 HG22 THR A 63 -10.430 5.851 -0.842 1.00 10.00 H new ATOM 0 HG23 THR A 63 -11.009 4.399 -1.694 1.00 10.00 H new ATOM 972 N LEU A 64 -6.525 3.587 -2.964 1.00 10.00 N ATOM 973 CA LEU A 64 -5.153 3.231 -3.278 1.00 10.00 C ATOM 974 C LEU A 64 -4.574 4.081 -4.404 1.00 10.00 C ATOM 975 O LEU A 64 -3.536 4.690 -4.196 1.00 10.00 O ATOM 976 CB LEU A 64 -5.060 1.737 -3.607 1.00 10.00 C ATOM 977 CG LEU A 64 -4.330 0.942 -2.522 1.00 10.00 C ATOM 978 CD1 LEU A 64 -5.080 -0.344 -2.224 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.911 0.594 -2.985 1.00 10.00 C ATOM 0 H LEU A 64 -7.147 2.779 -2.943 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.548 3.437 -2.395 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -6.064 1.333 -3.735 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -4.542 1.609 -4.557 1.00 10.00 H new ATOM 0 HG LEU A 64 -4.280 1.555 -1.622 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -4.552 -0.902 -1.451 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -6.086 -0.107 -1.878 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -5.141 -0.948 -3.129 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -2.402 0.029 -2.204 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -2.962 -0.006 -3.893 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -2.359 1.512 -3.187 1.00 10.00 H new ATOM 991 N MET A 65 -5.201 4.139 -5.579 1.00 10.00 N ATOM 992 CA MET A 65 -4.752 4.961 -6.691 1.00 10.00 C ATOM 993 C MET A 65 -4.300 6.339 -6.203 1.00 10.00 C ATOM 994 O MET A 65 -3.185 6.757 -6.510 1.00 10.00 O ATOM 995 CB MET A 65 -5.869 5.079 -7.746 1.00 10.00 C ATOM 996 CG MET A 65 -5.761 4.013 -8.846 1.00 10.00 C ATOM 997 SD MET A 65 -5.867 4.682 -10.532 1.00 10.00 S ATOM 998 CE MET A 65 -5.108 3.336 -11.464 1.00 10.00 C ATOM 0 H MET A 65 -6.047 3.607 -5.783 1.00 10.00 H new ATOM 0 HA MET A 65 -3.891 4.481 -7.156 1.00 10.00 H new ATOM 0 HB2 MET A 65 -6.838 4.991 -7.255 1.00 10.00 H new ATOM 0 HB3 MET A 65 -5.831 6.069 -8.200 1.00 10.00 H new ATOM 0 HG2 MET A 65 -4.814 3.484 -8.734 1.00 10.00 H new ATOM 0 HG3 MET A 65 -6.555 3.279 -8.706 1.00 10.00 H new ATOM 0 HE1 MET A 65 -5.253 3.505 -12.531 1.00 10.00 H new ATOM 0 HE2 MET A 65 -4.041 3.298 -11.244 1.00 10.00 H new ATOM 0 HE3 MET A 65 -5.571 2.391 -11.180 1.00 10.00 H new ATOM 1008 N GLU A 66 -5.118 7.009 -5.388 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.775 8.330 -4.892 1.00 10.00 C ATOM 1010 C GLU A 66 -3.701 8.197 -3.820 1.00 10.00 C ATOM 1011 O GLU A 66 -2.700 8.893 -3.845 1.00 10.00 O ATOM 1012 CB GLU A 66 -6.034 9.030 -4.366 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.683 9.881 -5.464 1.00 10.00 C ATOM 1014 CD GLU A 66 -6.095 11.289 -5.459 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -5.038 11.482 -6.098 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -6.679 12.144 -4.762 1.00 10.00 O ATOM 0 H GLU A 66 -6.017 6.654 -5.063 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.373 8.946 -5.696 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.746 8.287 -4.007 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -5.776 9.661 -3.515 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -6.523 9.416 -6.437 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -7.761 9.929 -5.307 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.877 7.286 -2.871 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.954 7.138 -1.761 1.00 10.00 C ATOM 1025 C TYR A 67 -1.525 6.942 -2.243 1.00 10.00 C ATOM 1026 O TYR A 67 -0.573 7.497 -1.702 1.00 10.00 O ATOM 1027 CB TYR A 67 -3.398 5.952 -0.907 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.713 5.896 0.447 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -2.657 7.056 1.239 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -2.074 4.720 0.896 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -2.030 7.029 2.489 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -1.515 4.675 2.189 1.00 10.00 C ATOM 1033 CZ TYR A 67 -1.538 5.825 3.000 1.00 10.00 C ATOM 1034 OH TYR A 67 -1.263 5.789 4.327 1.00 10.00 O ATOM 0 H TYR A 67 -4.661 6.633 -2.852 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.969 8.052 -1.167 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -4.477 6.004 -0.759 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -3.195 5.028 -1.448 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -3.101 7.973 0.880 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -2.014 3.857 0.250 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.926 7.940 3.060 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -1.071 3.762 2.556 1.00 10.00 H new ATOM 0 HH TYR A 67 -1.145 4.859 4.611 1.00 10.00 H new ATOM 1044 N LEU A 68 -1.393 6.138 -3.285 1.00 10.00 N ATOM 1045 CA LEU A 68 -0.142 5.874 -3.927 1.00 10.00 C ATOM 1046 C LEU A 68 0.261 7.052 -4.823 1.00 10.00 C ATOM 1047 O LEU A 68 1.434 7.427 -4.810 1.00 10.00 O ATOM 1048 CB LEU A 68 -0.181 4.506 -4.601 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.636 3.306 -3.762 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -0.272 2.037 -4.548 1.00 10.00 C ATOM 1051 CD2 LEU A 68 -0.005 3.282 -2.366 1.00 10.00 C ATOM 0 H LEU A 68 -2.179 5.645 -3.708 1.00 10.00 H new ATOM 0 HA LEU A 68 0.664 5.803 -3.197 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.840 4.578 -5.466 1.00 10.00 H new ATOM 0 HB3 LEU A 68 0.819 4.290 -4.978 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.711 3.373 -3.594 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.580 1.158 -3.982 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -0.782 2.047 -5.511 1.00 10.00 H new ATOM 0 HD13 LEU A 68 0.806 2.005 -4.709 1.00 10.00 H new ATOM 0 HD21 LEU A 68 -0.365 2.410 -1.819 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.080 3.231 -2.458 1.00 10.00 H new ATOM 0 HD23 LEU A 68 -0.281 4.188 -1.826 1.00 10.00 H new ATOM 1063 N GLU A 69 -0.635 7.628 -5.633 1.00 10.00 N ATOM 1064 CA GLU A 69 -0.294 8.769 -6.494 1.00 10.00 C ATOM 1065 C GLU A 69 -0.504 10.124 -5.794 1.00 10.00 C ATOM 1066 O GLU A 69 -0.746 11.129 -6.453 1.00 10.00 O ATOM 1067 CB GLU A 69 -1.043 8.669 -7.842 1.00 10.00 C ATOM 1068 CG GLU A 69 -0.132 8.856 -9.069 1.00 10.00 C ATOM 1069 CD GLU A 69 0.524 10.230 -9.117 1.00 10.00 C ATOM 1070 OE1 GLU A 69 1.563 10.367 -8.434 1.00 10.00 O ATOM 1071 OE2 GLU A 69 0.002 11.084 -9.863 1.00 10.00 O ATOM 0 H GLU A 69 -1.605 7.322 -5.711 1.00 10.00 H new ATOM 0 HA GLU A 69 0.774 8.720 -6.705 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.530 7.696 -7.906 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -1.831 9.422 -7.867 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.643 8.089 -9.060 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.718 8.707 -9.976 1.00 10.00 H new ATOM 1078 N ASN A 70 -0.429 10.161 -4.458 1.00 10.00 N ATOM 1079 CA ASN A 70 -0.852 11.292 -3.629 1.00 10.00 C ATOM 1080 C ASN A 70 -0.948 10.857 -2.148 1.00 10.00 C ATOM 1081 O ASN A 70 -2.001 10.972 -1.519 1.00 10.00 O ATOM 1082 CB ASN A 70 -2.203 11.860 -4.144 1.00 10.00 C ATOM 1083 CG ASN A 70 -2.107 13.124 -4.996 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -1.183 13.925 -4.859 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -3.103 13.350 -5.846 1.00 10.00 N ATOM 0 H ASN A 70 -0.062 9.383 -3.910 1.00 10.00 H new ATOM 0 HA ASN A 70 -0.109 12.087 -3.698 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -2.702 11.087 -4.728 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -2.839 12.071 -3.284 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -3.114 14.204 -6.404 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -3.857 12.670 -5.941 1.00 10.00 H new ATOM 1092 N PRO A 71 0.152 10.404 -1.518 1.00 10.00 N ATOM 1093 CA PRO A 71 0.110 10.021 -0.113 1.00 10.00 C ATOM 1094 C PRO A 71 -0.093 11.261 0.763 1.00 10.00 C ATOM 1095 O PRO A 71 -0.973 11.298 1.625 1.00 10.00 O ATOM 1096 CB PRO A 71 1.431 9.295 0.164 1.00 10.00 C ATOM 1097 CG PRO A 71 2.386 9.765 -0.936 1.00 10.00 C ATOM 1098 CD PRO A 71 1.485 10.242 -2.080 1.00 10.00 C ATOM 0 HA PRO A 71 -0.726 9.361 0.120 1.00 10.00 H new ATOM 0 HB2 PRO A 71 1.817 9.543 1.153 1.00 10.00 H new ATOM 0 HB3 PRO A 71 1.299 8.213 0.135 1.00 10.00 H new ATOM 0 HG2 PRO A 71 3.029 10.570 -0.580 1.00 10.00 H new ATOM 0 HG3 PRO A 71 3.039 8.955 -1.262 1.00 10.00 H new ATOM 0 HD2 PRO A 71 1.848 11.183 -2.493 1.00 10.00 H new ATOM 0 HD3 PRO A 71 1.477 9.518 -2.895 1.00 10.00 H new ATOM 1106 N LYS A 72 0.720 12.296 0.525 1.00 10.00 N ATOM 1107 CA LYS A 72 0.672 13.519 1.316 1.00 10.00 C ATOM 1108 C LYS A 72 -0.696 14.186 1.230 1.00 10.00 C ATOM 1109 O LYS A 72 -1.163 14.782 2.195 1.00 10.00 O ATOM 1110 CB LYS A 72 1.736 14.531 0.870 1.00 10.00 C ATOM 1111 CG LYS A 72 3.121 13.901 0.747 1.00 10.00 C ATOM 1112 CD LYS A 72 3.522 13.589 -0.710 1.00 10.00 C ATOM 1113 CE LYS A 72 4.640 14.502 -1.261 1.00 10.00 C ATOM 1114 NZ LYS A 72 4.186 15.392 -2.350 1.00 10.00 N ATOM 0 H LYS A 72 1.422 12.305 -0.215 1.00 10.00 H new ATOM 0 HA LYS A 72 0.870 13.221 2.346 1.00 10.00 H new ATOM 0 HB2 LYS A 72 1.447 14.958 -0.090 1.00 10.00 H new ATOM 0 HB3 LYS A 72 1.775 15.352 1.586 1.00 10.00 H new ATOM 0 HG2 LYS A 72 3.859 14.574 1.183 1.00 10.00 H new ATOM 0 HG3 LYS A 72 3.147 12.980 1.329 1.00 10.00 H new ATOM 0 HD2 LYS A 72 3.850 12.551 -0.772 1.00 10.00 H new ATOM 0 HD3 LYS A 72 2.642 13.684 -1.347 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.038 15.109 -0.447 1.00 10.00 H new ATOM 0 HE3 LYS A 72 5.459 13.882 -1.626 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 4.982 15.977 -2.675 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 3.832 14.819 -3.142 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 3.424 16.007 -2.000 1.00 10.00 H new ATOM 1128 N LYS A 73 -1.302 14.108 0.044 1.00 10.00 N ATOM 1129 CA LYS A 73 -2.600 14.688 -0.256 1.00 10.00 C ATOM 1130 C LYS A 73 -3.627 14.223 0.774 1.00 10.00 C ATOM 1131 O LYS A 73 -4.393 15.027 1.297 1.00 10.00 O ATOM 1132 CB LYS A 73 -3.014 14.262 -1.671 1.00 10.00 C ATOM 1133 CG LYS A 73 -3.654 15.383 -2.494 1.00 10.00 C ATOM 1134 CD LYS A 73 -2.577 16.357 -2.995 1.00 10.00 C ATOM 1135 CE LYS A 73 -3.138 17.315 -4.054 1.00 10.00 C ATOM 1136 NZ LYS A 73 -2.070 17.855 -4.921 1.00 10.00 N ATOM 0 H LYS A 73 -0.887 13.625 -0.753 1.00 10.00 H new ATOM 0 HA LYS A 73 -2.546 15.776 -0.210 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -2.136 13.892 -2.200 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -3.716 13.431 -1.599 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -4.193 14.959 -3.341 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -4.384 15.918 -1.887 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -2.184 16.930 -2.155 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -1.743 15.795 -3.416 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -3.874 16.792 -4.665 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -3.658 18.137 -3.562 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -2.486 18.498 -5.624 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -1.381 18.375 -4.341 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -1.590 17.072 -5.409 1.00 10.00 H new ATOM 1150 N TYR A 74 -3.623 12.919 1.063 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.450 12.369 2.118 1.00 10.00 C ATOM 1152 C TYR A 74 -3.972 12.864 3.478 1.00 10.00 C ATOM 1153 O TYR A 74 -4.779 13.346 4.268 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.435 10.842 2.059 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.513 10.269 1.167 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -6.845 10.234 1.620 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -5.181 9.689 -0.068 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -7.803 9.481 0.923 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -6.136 8.915 -0.748 1.00 10.00 C ATOM 1160 CZ TYR A 74 -7.455 8.842 -0.277 1.00 10.00 C ATOM 1161 OH TYR A 74 -8.302 7.929 -0.820 1.00 10.00 O ATOM 0 H TYR A 74 -3.051 12.230 0.574 1.00 10.00 H new ATOM 0 HA TYR A 74 -5.476 12.707 1.974 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.461 10.508 1.701 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.557 10.445 3.067 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -7.130 10.786 2.503 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -4.199 9.837 -0.492 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -8.807 9.393 1.310 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -5.853 8.373 -1.638 1.00 10.00 H new ATOM 0 HH TYR A 74 -8.447 8.139 -1.766 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.678 12.706 3.771 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.132 13.115 5.058 1.00 10.00 C ATOM 1173 C ILE A 75 -0.627 13.380 4.944 1.00 10.00 C ATOM 1174 O ILE A 75 0.134 12.451 4.674 1.00 10.00 O ATOM 1175 CB ILE A 75 -2.494 12.086 6.150 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -1.875 12.487 7.501 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -2.125 10.636 5.794 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -2.808 12.148 8.666 1.00 10.00 C ATOM 0 H ILE A 75 -1.995 12.298 3.133 1.00 10.00 H new ATOM 0 HA ILE A 75 -2.586 14.058 5.363 1.00 10.00 H new ATOM 0 HB ILE A 75 -3.581 12.105 6.226 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.923 11.973 7.634 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -1.662 13.556 7.502 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -2.412 9.976 6.613 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -2.651 10.339 4.887 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.050 10.564 5.630 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -2.340 12.444 9.605 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -3.750 12.683 8.545 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -2.999 11.075 8.679 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.157 14.623 5.148 1.00 10.00 N ATOM 1191 CA PRO A 76 1.258 14.947 5.060 1.00 10.00 C ATOM 1192 C PRO A 76 1.999 14.519 6.338 1.00 10.00 C ATOM 1193 O PRO A 76 2.580 15.347 7.034 1.00 10.00 O ATOM 1194 CB PRO A 76 1.298 16.456 4.783 1.00 10.00 C ATOM 1195 CG PRO A 76 0.031 16.989 5.449 1.00 10.00 C ATOM 1196 CD PRO A 76 -0.955 15.824 5.354 1.00 10.00 C ATOM 0 HA PRO A 76 1.777 14.409 4.267 1.00 10.00 H new ATOM 0 HB2 PRO A 76 2.193 16.915 5.203 1.00 10.00 H new ATOM 0 HB3 PRO A 76 1.305 16.665 3.713 1.00 10.00 H new ATOM 0 HG2 PRO A 76 0.214 17.273 6.485 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -0.347 17.874 4.937 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -1.549 15.744 6.264 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -1.653 15.972 4.530 1.00 10.00 H new ATOM 1204 N GLY A 77 2.009 13.213 6.629 1.00 10.00 N ATOM 1205 CA GLY A 77 2.778 12.626 7.725 1.00 10.00 C ATOM 1206 C GLY A 77 2.841 11.115 7.527 1.00 10.00 C ATOM 1207 O GLY A 77 2.374 10.354 8.370 1.00 10.00 O ATOM 0 H GLY A 77 1.473 12.526 6.099 1.00 10.00 H new ATOM 0 HA2 GLY A 77 3.784 13.046 7.748 1.00 10.00 H new ATOM 0 HA3 GLY A 77 2.312 12.862 8.682 1.00 10.00 H new ATOM 1211 N THR A 78 3.405 10.695 6.389 1.00 10.00 N ATOM 1212 CA THR A 78 3.417 9.298 5.970 1.00 10.00 C ATOM 1213 C THR A 78 4.850 8.793 5.831 1.00 10.00 C ATOM 1214 O THR A 78 5.266 7.931 6.603 1.00 10.00 O ATOM 1215 CB THR A 78 2.559 9.134 4.700 1.00 10.00 C ATOM 1216 OG1 THR A 78 1.353 9.837 4.895 1.00 10.00 O ATOM 1217 CG2 THR A 78 2.223 7.669 4.402 1.00 10.00 C ATOM 0 H THR A 78 3.868 11.323 5.732 1.00 10.00 H new ATOM 0 HA THR A 78 2.962 8.666 6.733 1.00 10.00 H new ATOM 0 HB THR A 78 3.129 9.520 3.855 1.00 10.00 H new ATOM 0 HG1 THR A 78 1.485 10.781 4.668 1.00 10.00 H new ATOM 0 HG21 THR A 78 1.617 7.611 3.498 1.00 10.00 H new ATOM 0 HG22 THR A 78 3.145 7.106 4.258 1.00 10.00 H new ATOM 0 HG23 THR A 78 1.667 7.246 5.239 1.00 10.00 H new ATOM 1225 N LYS A 79 5.590 9.295 4.839 1.00 10.00 N ATOM 1226 CA LYS A 79 7.006 9.014 4.608 1.00 10.00 C ATOM 1227 C LYS A 79 7.485 9.747 3.350 1.00 10.00 C ATOM 1228 O LYS A 79 8.610 10.229 3.314 1.00 10.00 O ATOM 1229 CB LYS A 79 7.359 7.510 4.555 1.00 10.00 C ATOM 1230 CG LYS A 79 6.691 6.645 3.470 1.00 10.00 C ATOM 1231 CD LYS A 79 5.413 5.931 3.928 1.00 10.00 C ATOM 1232 CE LYS A 79 5.668 4.902 5.040 1.00 10.00 C ATOM 1233 NZ LYS A 79 5.067 5.296 6.334 1.00 10.00 N ATOM 0 H LYS A 79 5.201 9.935 4.147 1.00 10.00 H new ATOM 0 HA LYS A 79 7.541 9.392 5.479 1.00 10.00 H new ATOM 0 HB2 LYS A 79 8.439 7.425 4.431 1.00 10.00 H new ATOM 0 HB3 LYS A 79 7.115 7.076 5.525 1.00 10.00 H new ATOM 0 HG2 LYS A 79 6.453 7.277 2.614 1.00 10.00 H new ATOM 0 HG3 LYS A 79 7.407 5.898 3.126 1.00 10.00 H new ATOM 0 HD2 LYS A 79 4.696 6.672 4.283 1.00 10.00 H new ATOM 0 HD3 LYS A 79 4.957 5.430 3.074 1.00 10.00 H new ATOM 0 HE2 LYS A 79 5.263 3.937 4.735 1.00 10.00 H new ATOM 0 HE3 LYS A 79 6.742 4.771 5.168 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 5.674 4.968 7.113 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 4.980 6.332 6.375 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 4.125 4.865 6.425 1.00 10.00 H new ATOM 1247 N MET A 80 6.608 9.820 2.337 1.00 10.00 N ATOM 1248 CA MET A 80 6.846 10.463 1.050 1.00 10.00 C ATOM 1249 C MET A 80 8.023 9.829 0.332 1.00 10.00 C ATOM 1250 O MET A 80 9.147 10.318 0.427 1.00 10.00 O ATOM 1251 CB MET A 80 7.053 11.975 1.185 1.00 10.00 C ATOM 1252 CG MET A 80 5.891 12.625 1.927 1.00 10.00 C ATOM 1253 SD MET A 80 6.050 12.810 3.718 1.00 10.00 S ATOM 1254 CE MET A 80 7.275 14.139 3.766 1.00 10.00 C ATOM 0 H MET A 80 5.675 9.413 2.403 1.00 10.00 H new ATOM 0 HA MET A 80 5.948 10.309 0.452 1.00 10.00 H new ATOM 0 HB2 MET A 80 7.984 12.171 1.717 1.00 10.00 H new ATOM 0 HB3 MET A 80 7.152 12.421 0.195 1.00 10.00 H new ATOM 0 HG2 MET A 80 5.729 13.614 1.499 1.00 10.00 H new ATOM 0 HG3 MET A 80 4.993 12.040 1.727 1.00 10.00 H new ATOM 0 HE1 MET A 80 8.040 13.902 4.505 1.00 10.00 H new ATOM 0 HE2 MET A 80 7.738 14.242 2.785 1.00 10.00 H new ATOM 0 HE3 MET A 80 6.786 15.075 4.037 1.00 10.00 H new ATOM 1264 N ILE A 81 7.760 8.734 -0.388 1.00 10.00 N ATOM 1265 CA ILE A 81 8.840 8.044 -1.061 1.00 10.00 C ATOM 1266 C ILE A 81 9.368 8.815 -2.275 1.00 10.00 C ATOM 1267 O ILE A 81 8.935 9.941 -2.510 1.00 10.00 O ATOM 1268 CB ILE A 81 8.492 6.565 -1.361 1.00 10.00 C ATOM 1269 CG1 ILE A 81 7.276 6.486 -2.300 1.00 10.00 C ATOM 1270 CG2 ILE A 81 8.285 5.743 -0.082 1.00 10.00 C ATOM 1271 CD1 ILE A 81 7.015 5.071 -2.822 1.00 10.00 C ATOM 0 H ILE A 81 6.834 8.324 -0.512 1.00 10.00 H new ATOM 0 HA ILE A 81 9.677 8.011 -0.364 1.00 10.00 H new ATOM 0 HB ILE A 81 9.346 6.117 -1.869 1.00 10.00 H new ATOM 0 HG12 ILE A 81 6.392 6.841 -1.771 1.00 10.00 H new ATOM 0 HG13 ILE A 81 7.432 7.156 -3.145 1.00 10.00 H new ATOM 0 HG21 ILE A 81 8.043 4.714 -0.346 1.00 10.00 H new ATOM 0 HG22 ILE A 81 9.198 5.760 0.513 1.00 10.00 H new ATOM 0 HG23 ILE A 81 7.466 6.171 0.497 1.00 10.00 H new ATOM 0 HD11 ILE A 81 6.145 5.080 -3.479 1.00 10.00 H new ATOM 0 HD12 ILE A 81 7.885 4.722 -3.378 1.00 10.00 H new ATOM 0 HD13 ILE A 81 6.828 4.402 -1.982 1.00 10.00 H new ATOM 1283 N PHE A 82 10.293 8.198 -3.032 1.00 10.00 N ATOM 1284 CA PHE A 82 10.954 8.761 -4.210 1.00 10.00 C ATOM 1285 C PHE A 82 10.036 9.701 -4.997 1.00 10.00 C ATOM 1286 O PHE A 82 10.439 10.810 -5.333 1.00 10.00 O ATOM 1287 CB PHE A 82 11.541 7.642 -5.098 1.00 10.00 C ATOM 1288 CG PHE A 82 10.563 6.582 -5.591 1.00 10.00 C ATOM 1289 CD1 PHE A 82 9.763 6.829 -6.722 1.00 10.00 C ATOM 1290 CD2 PHE A 82 10.441 5.349 -4.921 1.00 10.00 C ATOM 1291 CE1 PHE A 82 8.683 5.980 -7.014 1.00 10.00 C ATOM 1292 CE2 PHE A 82 9.420 4.450 -5.281 1.00 10.00 C ATOM 1293 CZ PHE A 82 8.466 4.827 -6.242 1.00 10.00 C ATOM 0 H PHE A 82 10.610 7.251 -2.825 1.00 10.00 H new ATOM 0 HA PHE A 82 11.784 9.374 -3.859 1.00 10.00 H new ATOM 0 HB2 PHE A 82 12.008 8.106 -5.967 1.00 10.00 H new ATOM 0 HB3 PHE A 82 12.332 7.143 -4.539 1.00 10.00 H new ATOM 0 HD1 PHE A 82 9.979 7.670 -7.364 1.00 10.00 H new ATOM 0 HD2 PHE A 82 11.131 5.093 -4.131 1.00 10.00 H new ATOM 0 HE1 PHE A 82 8.019 6.214 -7.833 1.00 10.00 H new ATOM 0 HE2 PHE A 82 9.370 3.474 -4.821 1.00 10.00 H new ATOM 0 HZ PHE A 82 7.574 4.235 -6.385 1.00 10.00 H new ATOM 1303 N ALA A 83 8.808 9.248 -5.263 1.00 10.00 N ATOM 1304 CA ALA A 83 7.713 9.989 -5.864 1.00 10.00 C ATOM 1305 C ALA A 83 6.571 8.992 -6.078 1.00 10.00 C ATOM 1306 O ALA A 83 6.646 7.857 -5.602 1.00 10.00 O ATOM 1307 CB ALA A 83 8.169 10.664 -7.168 1.00 10.00 C ATOM 0 H ALA A 83 8.542 8.287 -5.047 1.00 10.00 H new ATOM 0 HA ALA A 83 7.371 10.799 -5.220 1.00 10.00 H new ATOM 0 HB1 ALA A 83 7.335 11.214 -7.604 1.00 10.00 H new ATOM 0 HB2 ALA A 83 8.986 11.353 -6.955 1.00 10.00 H new ATOM 0 HB3 ALA A 83 8.509 9.904 -7.871 1.00 10.00 H new ATOM 1313 N GLY A 84 5.518 9.400 -6.788 1.00 10.00 N ATOM 1314 CA GLY A 84 4.488 8.485 -7.248 1.00 10.00 C ATOM 1315 C GLY A 84 5.073 7.441 -8.207 1.00 10.00 C ATOM 1316 O GLY A 84 6.204 7.563 -8.674 1.00 10.00 O ATOM 0 H GLY A 84 5.361 10.371 -7.056 1.00 10.00 H new ATOM 0 HA2 GLY A 84 4.032 7.985 -6.394 1.00 10.00 H new ATOM 0 HA3 GLY A 84 3.698 9.043 -7.750 1.00 10.00 H new ATOM 1320 N ILE A 85 4.296 6.395 -8.499 1.00 10.00 N ATOM 1321 CA ILE A 85 4.648 5.388 -9.493 1.00 10.00 C ATOM 1322 C ILE A 85 4.825 6.064 -10.855 1.00 10.00 C ATOM 1323 O ILE A 85 4.369 7.182 -11.070 1.00 10.00 O ATOM 1324 CB ILE A 85 3.576 4.278 -9.517 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.868 3.126 -8.560 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.223 3.692 -10.882 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.917 2.146 -9.056 1.00 10.00 C ATOM 0 H ILE A 85 3.398 6.225 -8.046 1.00 10.00 H new ATOM 0 HA ILE A 85 5.594 4.912 -9.235 1.00 10.00 H new ATOM 0 HB ILE A 85 2.703 4.838 -9.182 1.00 10.00 H new ATOM 0 HG12 ILE A 85 4.196 3.538 -7.605 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.942 2.583 -8.372 1.00 10.00 H new ATOM 0 HG21 ILE A 85 2.459 2.924 -10.762 1.00 10.00 H new ATOM 0 HG22 ILE A 85 2.844 4.482 -11.530 1.00 10.00 H new ATOM 0 HG23 ILE A 85 4.114 3.251 -11.330 1.00 10.00 H new ATOM 0 HD11 ILE A 85 5.061 1.361 -8.314 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.585 1.702 -9.994 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.859 2.671 -9.216 1.00 10.00 H new ATOM 1339 N LYS A 86 5.472 5.336 -11.769 1.00 10.00 N ATOM 1340 CA LYS A 86 5.749 5.731 -13.143 1.00 10.00 C ATOM 1341 C LYS A 86 4.615 6.561 -13.756 1.00 10.00 C ATOM 1342 O LYS A 86 4.870 7.657 -14.246 1.00 10.00 O ATOM 1343 CB LYS A 86 6.046 4.491 -14.002 1.00 10.00 C ATOM 1344 CG LYS A 86 7.059 3.540 -13.345 1.00 10.00 C ATOM 1345 CD LYS A 86 7.693 2.609 -14.393 1.00 10.00 C ATOM 1346 CE LYS A 86 8.680 1.625 -13.746 1.00 10.00 C ATOM 1347 NZ LYS A 86 8.991 0.490 -14.640 1.00 10.00 N ATOM 0 H LYS A 86 5.834 4.407 -11.554 1.00 10.00 H new ATOM 0 HA LYS A 86 6.630 6.373 -13.125 1.00 10.00 H new ATOM 0 HB2 LYS A 86 5.117 3.952 -14.188 1.00 10.00 H new ATOM 0 HB3 LYS A 86 6.429 4.810 -14.971 1.00 10.00 H new ATOM 0 HG2 LYS A 86 7.837 4.118 -12.847 1.00 10.00 H new ATOM 0 HG3 LYS A 86 6.563 2.946 -12.577 1.00 10.00 H new ATOM 0 HD2 LYS A 86 6.910 2.054 -14.910 1.00 10.00 H new ATOM 0 HD3 LYS A 86 8.211 3.204 -15.145 1.00 10.00 H new ATOM 0 HE2 LYS A 86 9.601 2.149 -13.491 1.00 10.00 H new ATOM 0 HE3 LYS A 86 8.259 1.248 -12.814 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 9.660 -0.151 -14.167 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 8.116 -0.026 -14.863 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 9.416 0.847 -15.519 1.00 10.00 H new ATOM 1361 N LYS A 87 3.387 6.026 -13.748 1.00 10.00 N ATOM 1362 CA LYS A 87 2.172 6.697 -14.180 1.00 10.00 C ATOM 1363 C LYS A 87 0.950 5.837 -13.819 1.00 10.00 C ATOM 1364 O LYS A 87 1.078 4.782 -13.194 1.00 10.00 O ATOM 1365 CB LYS A 87 2.241 6.982 -15.687 1.00 10.00 C ATOM 1366 CG LYS A 87 2.237 5.687 -16.504 1.00 10.00 C ATOM 1367 CD LYS A 87 3.037 5.785 -17.805 1.00 10.00 C ATOM 1368 CE LYS A 87 4.541 5.915 -17.513 1.00 10.00 C ATOM 1369 NZ LYS A 87 5.360 5.311 -18.580 1.00 10.00 N ATOM 0 H LYS A 87 3.215 5.074 -13.425 1.00 10.00 H new ATOM 0 HA LYS A 87 2.074 7.653 -13.666 1.00 10.00 H new ATOM 0 HB2 LYS A 87 1.393 7.601 -15.980 1.00 10.00 H new ATOM 0 HB3 LYS A 87 3.144 7.551 -15.910 1.00 10.00 H new ATOM 0 HG2 LYS A 87 2.646 4.881 -15.895 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.207 5.418 -16.739 1.00 10.00 H new ATOM 0 HD2 LYS A 87 2.856 4.901 -18.416 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.698 6.646 -18.382 1.00 10.00 H new ATOM 0 HE2 LYS A 87 4.801 6.968 -17.407 1.00 10.00 H new ATOM 0 HE3 LYS A 87 4.770 5.433 -16.562 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 6.368 5.419 -18.347 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 5.130 4.300 -18.664 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 5.161 5.788 -19.483 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.235 6.274 -14.253 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.507 5.635 -13.943 1.00 10.00 C ATOM 1385 C LYS A 88 -1.514 4.180 -14.422 1.00 10.00 C ATOM 1386 O LYS A 88 -1.992 3.297 -13.717 1.00 10.00 O ATOM 1387 CB LYS A 88 -2.656 6.459 -14.551 1.00 10.00 C ATOM 1388 CG LYS A 88 -4.021 5.970 -14.045 1.00 10.00 C ATOM 1389 CD LYS A 88 -5.178 6.901 -14.452 1.00 10.00 C ATOM 1390 CE LYS A 88 -6.110 6.251 -15.489 1.00 10.00 C ATOM 1391 NZ LYS A 88 -7.373 7.004 -15.650 1.00 10.00 N ATOM 0 H LYS A 88 -0.334 7.101 -14.842 1.00 10.00 H new ATOM 0 HA LYS A 88 -1.650 5.607 -12.863 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -2.527 7.511 -14.296 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -2.622 6.388 -15.638 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -4.211 4.970 -14.435 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -3.992 5.888 -12.958 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -5.754 7.170 -13.567 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -4.771 7.826 -14.861 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -5.598 6.192 -16.450 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -6.334 5.229 -15.184 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -7.971 6.532 -16.358 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -7.875 7.039 -14.740 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -7.162 7.972 -15.966 1.00 10.00 H new ATOM 1405 N THR A 89 -0.975 3.944 -15.621 1.00 10.00 N ATOM 1406 CA THR A 89 -0.836 2.632 -16.227 1.00 10.00 C ATOM 1407 C THR A 89 -0.218 1.650 -15.233 1.00 10.00 C ATOM 1408 O THR A 89 -0.892 0.737 -14.757 1.00 10.00 O ATOM 1409 CB THR A 89 0.010 2.793 -17.497 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.530 3.858 -18.257 1.00 10.00 O ATOM 1411 CG2 THR A 89 0.025 1.508 -18.320 1.00 10.00 C ATOM 0 H THR A 89 -0.613 4.693 -16.211 1.00 10.00 H new ATOM 0 HA THR A 89 -1.807 2.219 -16.498 1.00 10.00 H new ATOM 0 HB THR A 89 1.041 3.010 -17.219 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.001 3.978 -19.073 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.633 1.655 -19.213 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.446 0.699 -17.723 1.00 10.00 H new ATOM 0 HG23 THR A 89 -0.993 1.251 -18.612 1.00 10.00 H new ATOM 1419 N GLU A 90 1.048 1.876 -14.878 1.00 10.00 N ATOM 1420 CA GLU A 90 1.726 1.113 -13.862 1.00 10.00 C ATOM 1421 C GLU A 90 0.905 0.960 -12.589 1.00 10.00 C ATOM 1422 O GLU A 90 0.845 -0.144 -12.065 1.00 10.00 O ATOM 1423 CB GLU A 90 3.042 1.794 -13.518 1.00 10.00 C ATOM 1424 CG GLU A 90 4.199 1.278 -14.378 1.00 10.00 C ATOM 1425 CD GLU A 90 4.198 1.788 -15.815 1.00 10.00 C ATOM 1426 OE1 GLU A 90 3.336 2.638 -16.137 1.00 10.00 O ATOM 1427 OE2 GLU A 90 5.113 1.362 -16.553 1.00 10.00 O ATOM 0 H GLU A 90 1.625 2.604 -15.299 1.00 10.00 H new ATOM 0 HA GLU A 90 1.891 0.115 -14.268 1.00 10.00 H new ATOM 0 HB2 GLU A 90 2.940 2.870 -13.656 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.271 1.628 -12.465 1.00 10.00 H new ATOM 0 HG2 GLU A 90 5.140 1.562 -13.906 1.00 10.00 H new ATOM 0 HG3 GLU A 90 4.166 0.189 -14.393 1.00 10.00 H new ATOM 1434 N ARG A 91 0.324 2.038 -12.045 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.471 1.906 -10.834 1.00 10.00 C ATOM 1436 C ARG A 91 -1.548 0.829 -11.029 1.00 10.00 C ATOM 1437 O ARG A 91 -1.750 -0.020 -10.161 1.00 10.00 O ATOM 1438 CB ARG A 91 -1.133 3.243 -10.475 1.00 10.00 C ATOM 1439 CG ARG A 91 -0.126 4.256 -9.929 1.00 10.00 C ATOM 1440 CD ARG A 91 -0.714 5.063 -8.759 1.00 10.00 C ATOM 1441 NE ARG A 91 0.335 5.675 -7.925 1.00 10.00 N ATOM 1442 CZ ARG A 91 1.224 4.976 -7.204 1.00 10.00 C ATOM 1443 NH1 ARG A 91 1.129 3.642 -7.169 1.00 10.00 N ATOM 1444 NH2 ARG A 91 2.196 5.586 -6.515 1.00 10.00 N ATOM 0 H ARG A 91 0.391 2.985 -12.418 1.00 10.00 H new ATOM 0 HA ARG A 91 0.189 1.613 -10.017 1.00 10.00 H new ATOM 0 HB2 ARG A 91 -1.618 3.656 -11.360 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -1.914 3.073 -9.733 1.00 10.00 H new ATOM 0 HG2 ARG A 91 0.772 3.735 -9.598 1.00 10.00 H new ATOM 0 HG3 ARG A 91 0.176 4.936 -10.726 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -1.367 5.843 -9.150 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -1.331 4.410 -8.143 1.00 10.00 H new ATOM 0 HE ARG A 91 0.388 6.693 -7.894 1.00 10.00 H new ATOM 0 HH11 ARG A 91 0.388 3.170 -7.686 1.00 10.00 H new ATOM 0 HH12 ARG A 91 1.798 3.097 -6.625 1.00 10.00 H new ATOM 0 HH21 ARG A 91 2.272 6.603 -6.531 1.00 10.00 H new ATOM 0 HH22 ARG A 91 2.861 5.034 -5.974 1.00 10.00 H new ATOM 1458 N GLU A 92 -2.223 0.873 -12.180 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.289 -0.064 -12.516 1.00 10.00 C ATOM 1460 C GLU A 92 -2.723 -1.489 -12.572 1.00 10.00 C ATOM 1461 O GLU A 92 -3.214 -2.394 -11.896 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.964 0.352 -13.839 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.495 0.264 -13.770 1.00 10.00 C ATOM 1464 CD GLU A 92 -5.989 -1.156 -13.541 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -6.098 -1.879 -14.556 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.232 -1.509 -12.370 1.00 10.00 O ATOM 0 H GLU A 92 -2.042 1.565 -12.907 1.00 10.00 H new ATOM 0 HA GLU A 92 -4.059 -0.045 -11.744 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.673 1.373 -14.087 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.602 -0.287 -14.645 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -5.856 0.905 -12.966 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.920 0.647 -14.698 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.656 -1.688 -13.352 1.00 10.00 N ATOM 1474 CA ASP A 93 -0.966 -2.976 -13.428 1.00 10.00 C ATOM 1475 C ASP A 93 -0.635 -3.476 -12.014 1.00 10.00 C ATOM 1476 O ASP A 93 -0.874 -4.632 -11.672 1.00 10.00 O ATOM 1477 CB ASP A 93 0.318 -2.856 -14.269 1.00 10.00 C ATOM 1478 CG ASP A 93 0.099 -2.837 -15.777 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.075 -2.936 -16.201 1.00 10.00 O ATOM 1480 OD2 ASP A 93 1.124 -2.747 -16.486 1.00 10.00 O ATOM 0 H ASP A 93 -1.249 -0.964 -13.945 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.624 -3.697 -13.914 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.839 -1.943 -13.981 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.975 -3.690 -14.023 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.112 -2.590 -11.166 1.00 10.00 N ATOM 1486 CA LEU A 94 0.200 -2.883 -9.774 1.00 10.00 C ATOM 1487 C LEU A 94 -1.037 -3.443 -9.058 1.00 10.00 C ATOM 1488 O LEU A 94 -0.984 -4.558 -8.531 1.00 10.00 O ATOM 1489 CB LEU A 94 0.766 -1.625 -9.087 1.00 10.00 C ATOM 1490 CG LEU A 94 1.931 -1.931 -8.142 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.524 -0.643 -7.583 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.520 -2.844 -7.007 1.00 10.00 C ATOM 0 H LEU A 94 0.109 -1.632 -11.436 1.00 10.00 H new ATOM 0 HA LEU A 94 0.970 -3.653 -9.723 1.00 10.00 H new ATOM 0 HB2 LEU A 94 1.099 -0.921 -9.849 1.00 10.00 H new ATOM 0 HB3 LEU A 94 -0.030 -1.135 -8.526 1.00 10.00 H new ATOM 0 HG LEU A 94 2.688 -2.451 -8.730 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.350 -0.883 -6.914 1.00 10.00 H new ATOM 0 HD12 LEU A 94 2.889 -0.025 -8.403 1.00 10.00 H new ATOM 0 HD13 LEU A 94 1.757 -0.099 -7.032 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.379 -3.033 -6.363 1.00 10.00 H new ATOM 0 HD22 LEU A 94 0.729 -2.370 -6.427 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.156 -3.788 -7.413 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.152 -2.694 -9.066 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.432 -3.166 -8.544 1.00 10.00 C ATOM 1506 C ILE A 95 -3.765 -4.550 -9.092 1.00 10.00 C ATOM 1507 O ILE A 95 -4.243 -5.395 -8.346 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.575 -2.158 -8.808 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.700 -1.167 -7.649 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.950 -2.835 -8.960 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.638 -0.077 -7.652 1.00 10.00 C ATOM 0 H ILE A 95 -2.185 -1.744 -9.436 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.333 -3.248 -7.462 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.310 -1.659 -9.740 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.685 -0.701 -7.687 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.642 -1.714 -6.708 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.711 -2.076 -9.143 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.922 -3.531 -9.798 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.192 -3.377 -8.046 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.794 0.585 -6.800 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.650 -0.532 -7.582 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.709 0.497 -8.576 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.540 -4.784 -10.382 1.00 10.00 N ATOM 1524 CA ALA A 96 -3.819 -6.072 -11.005 1.00 10.00 C ATOM 1525 C ALA A 96 -3.190 -7.228 -10.243 1.00 10.00 C ATOM 1526 O ALA A 96 -3.858 -8.214 -9.937 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.277 -6.109 -12.420 1.00 10.00 C ATOM 0 H ALA A 96 -3.160 -4.087 -11.023 1.00 10.00 H new ATOM 0 HA ALA A 96 -4.903 -6.184 -10.999 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -3.495 -7.078 -12.868 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -3.747 -5.322 -13.010 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.198 -5.953 -12.401 1.00 10.00 H new ATOM 1533 N TYR A 97 -1.889 -7.122 -9.971 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.224 -8.149 -9.196 1.00 10.00 C ATOM 1535 C TYR A 97 -1.828 -8.179 -7.812 1.00 10.00 C ATOM 1536 O TYR A 97 -2.342 -9.213 -7.390 1.00 10.00 O ATOM 1537 CB TYR A 97 0.274 -7.900 -9.120 1.00 10.00 C ATOM 1538 CG TYR A 97 1.004 -8.829 -8.166 1.00 10.00 C ATOM 1539 CD1 TYR A 97 0.938 -10.226 -8.342 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.744 -8.299 -7.093 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.602 -11.085 -7.448 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.485 -9.156 -6.262 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.383 -10.548 -6.410 1.00 10.00 C ATOM 1544 OH TYR A 97 3.093 -11.362 -5.580 1.00 10.00 O ATOM 0 H TYR A 97 -1.293 -6.351 -10.271 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.367 -9.113 -9.684 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.702 -8.009 -10.117 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.446 -6.869 -8.811 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.375 -10.638 -9.167 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.742 -7.235 -6.908 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.512 -12.156 -7.559 1.00 10.00 H new ATOM 0 HE2 TYR A 97 3.136 -8.742 -5.506 1.00 10.00 H new ATOM 0 HH TYR A 97 3.575 -10.818 -4.922 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.761 -7.033 -7.132 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.289 -6.853 -5.790 1.00 10.00 C ATOM 1556 C LEU A 98 -3.639 -7.554 -5.614 1.00 10.00 C ATOM 1557 O LEU A 98 -3.827 -8.225 -4.608 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.339 -5.362 -5.420 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.375 -5.005 -4.269 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -0.266 -4.083 -4.745 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -2.085 -4.342 -3.090 1.00 10.00 C ATOM 0 H LEU A 98 -1.328 -6.191 -7.512 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.608 -7.333 -5.088 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -2.089 -4.765 -6.297 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.356 -5.096 -5.133 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.955 -5.953 -3.933 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.396 -3.850 -3.911 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.303 -4.575 -5.534 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.700 -3.161 -5.132 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -1.359 -4.113 -2.310 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.562 -3.420 -3.424 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.842 -5.019 -2.694 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.555 -7.456 -6.584 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.838 -8.152 -6.557 1.00 10.00 C ATOM 1575 C LYS A 99 -5.680 -9.620 -6.161 1.00 10.00 C ATOM 1576 O LYS A 99 -6.244 -10.043 -5.154 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.618 -7.980 -7.871 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.440 -6.682 -7.869 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.357 -6.605 -9.100 1.00 10.00 C ATOM 1580 CE LYS A 99 -9.317 -5.409 -8.968 1.00 10.00 C ATOM 1581 NZ LYS A 99 -10.390 -5.416 -9.982 1.00 10.00 N ATOM 0 H LYS A 99 -4.421 -6.884 -7.418 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.440 -7.681 -5.779 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -5.922 -7.971 -8.710 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.282 -8.832 -8.016 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -8.040 -6.630 -6.961 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.769 -5.823 -7.857 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -7.757 -6.502 -10.004 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -8.926 -7.529 -9.198 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -9.764 -5.417 -7.974 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -8.749 -4.483 -9.055 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -11.004 -4.588 -9.843 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -9.970 -5.380 -10.933 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -10.953 -6.285 -9.885 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.918 -10.402 -6.926 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.725 -11.798 -6.613 1.00 10.00 C ATOM 1597 C LYS A 100 -3.757 -11.946 -5.435 1.00 10.00 C ATOM 1598 O LYS A 100 -3.945 -12.821 -4.592 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.242 -12.521 -7.877 1.00 10.00 C ATOM 1600 CG LYS A 100 -4.009 -14.002 -7.560 1.00 10.00 C ATOM 1601 CD LYS A 100 -4.693 -14.956 -8.549 1.00 10.00 C ATOM 1602 CE LYS A 100 -3.884 -15.157 -9.837 1.00 10.00 C ATOM 1603 NZ LYS A 100 -3.059 -16.383 -9.778 1.00 10.00 N ATOM 0 H LYS A 100 -4.430 -10.083 -7.763 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.662 -12.258 -6.300 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -4.981 -12.420 -8.672 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.320 -12.066 -8.239 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -2.937 -14.201 -7.558 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -4.374 -14.212 -6.554 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -4.847 -15.922 -8.068 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -5.679 -14.565 -8.802 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -4.563 -15.216 -10.688 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -3.241 -14.293 -10.001 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -2.526 -16.486 -10.665 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -2.394 -16.316 -8.981 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -3.675 -17.210 -9.646 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.718 -11.111 -5.390 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.638 -11.244 -4.427 1.00 10.00 C ATOM 1619 C ALA A 101 -2.216 -11.182 -3.018 1.00 10.00 C ATOM 1620 O ALA A 101 -1.991 -12.057 -2.193 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.592 -10.146 -4.653 1.00 10.00 C ATOM 0 H ALA A 101 -2.607 -10.321 -6.026 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.139 -12.205 -4.556 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.213 -10.255 -3.926 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -0.185 -10.233 -5.660 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -1.059 -9.168 -4.533 1.00 10.00 H new ATOM 1627 N THR A 102 -3.003 -10.140 -2.763 1.00 10.00 N ATOM 1628 CA THR A 102 -3.562 -9.893 -1.450 1.00 10.00 C ATOM 1629 C THR A 102 -4.615 -10.921 -1.083 1.00 10.00 C ATOM 1630 O THR A 102 -4.729 -11.262 0.093 1.00 10.00 O ATOM 1631 CB THR A 102 -4.143 -8.484 -1.373 1.00 10.00 C ATOM 1632 OG1 THR A 102 -5.205 -8.346 -2.294 1.00 10.00 O ATOM 1633 CG2 THR A 102 -3.053 -7.454 -1.658 1.00 10.00 C ATOM 0 H THR A 102 -3.267 -9.448 -3.464 1.00 10.00 H new ATOM 0 HA THR A 102 -2.751 -9.981 -0.727 1.00 10.00 H new ATOM 0 HB THR A 102 -4.530 -8.314 -0.369 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.850 -8.066 -3.163 1.00 10.00 H new ATOM 0 HG21 THR A 102 -3.476 -6.451 -1.601 1.00 10.00 H new ATOM 0 HG22 THR A 102 -2.256 -7.554 -0.921 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.647 -7.620 -2.656 1.00 10.00 H new ATOM 1641 N ASN A 103 -5.387 -11.357 -2.084 1.00 10.00 N ATOM 1642 CA ASN A 103 -6.389 -12.400 -1.953 1.00 10.00 C ATOM 1643 C ASN A 103 -5.727 -13.666 -1.407 1.00 10.00 C ATOM 1644 O ASN A 103 -6.040 -14.067 -0.288 1.00 10.00 O ATOM 1645 CB ASN A 103 -7.079 -12.590 -3.312 1.00 10.00 C ATOM 1646 CG ASN A 103 -8.260 -13.554 -3.285 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -8.267 -14.550 -2.580 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.294 -13.261 -4.070 1.00 10.00 N ATOM 0 H ASN A 103 -5.324 -10.979 -3.029 1.00 10.00 H new ATOM 0 HA ASN A 103 -7.167 -12.130 -1.239 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -7.424 -11.620 -3.670 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.345 -12.953 -4.032 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -10.110 -13.873 -4.089 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -9.271 -12.424 -4.653 1.00 10.00 H new ATOM 1655 N GLU A 104 -4.769 -14.210 -2.166 1.00 10.00 N ATOM 1656 CA GLU A 104 -4.009 -15.408 -1.819 1.00 10.00 C ATOM 1657 C GLU A 104 -4.934 -16.539 -1.331 1.00 10.00 C ATOM 1658 O GLU A 104 -4.681 -17.107 -0.245 1.00 10.00 O ATOM 1659 CB GLU A 104 -2.846 -15.035 -0.872 1.00 10.00 C ATOM 1660 CG GLU A 104 -1.460 -15.507 -1.348 1.00 10.00 C ATOM 1661 CD GLU A 104 -1.145 -16.949 -0.962 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -0.773 -17.146 0.218 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -1.209 -17.812 -1.865 1.00 10.00 O ATOM 1664 OXT GLU A 104 -5.894 -16.827 -2.082 1.00 10.00 O ATOM 0 H GLU A 104 -4.496 -13.814 -3.065 1.00 10.00 H new ATOM 0 HA GLU A 104 -3.536 -15.828 -2.707 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -2.825 -13.952 -0.751 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -3.043 -15.462 0.111 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -1.403 -15.408 -2.432 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -0.697 -14.851 -0.928 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 3.296 5.096 0.562 1.00 10.00 N HETATM 1673 C2 IMD A 105 3.696 3.814 0.492 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.035 3.055 1.378 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.165 3.925 2.042 1.00 10.00 C HETATM 1676 C5 IMD A 105 2.318 5.182 1.530 1.00 10.00 C HETATM 0 HN1 IMD A 105 3.653 5.868 -0.001 1.00 10.00 H new HETATM 0 H5 IMD A 105 1.773 6.078 1.828 1.00 10.00 H new HETATM 0 H4 IMD A 105 1.476 3.645 2.839 1.00 10.00 H new HETATM 0 H2 IMD A 105 4.457 3.441 -0.194 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.178 1.113 1.637 1.00 10.00 FE HETATM 1682 CHA HEC A 110 0.800 1.452 4.009 1.00 10.00 C HETATM 1683 CHB HEC A 110 0.868 0.181 -0.683 1.00 10.00 C HETATM 1684 CHC HEC A 110 5.625 1.120 -0.783 1.00 10.00 C HETATM 1685 CHD HEC A 110 5.620 1.364 4.035 1.00 10.00 C HETATM 1686 NA HEC A 110 1.219 0.910 1.644 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.426 1.116 2.734 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.944 0.900 2.341 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.936 0.562 1.010 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.451 0.524 0.592 1.00 10.00 C HETATM 1691 CMA HEC A 110 -2.153 0.354 0.133 1.00 10.00 C HETATM 1692 CAA HEC A 110 -2.150 0.974 3.253 1.00 10.00 C HETATM 1693 CBA HEC A 110 -2.405 -0.276 4.121 1.00 10.00 C HETATM 1694 CGA HEC A 110 -1.292 -1.335 4.083 1.00 10.00 C HETATM 1695 O1A HEC A 110 -0.254 -1.102 4.740 1.00 10.00 O HETATM 1696 O2A HEC A 110 -1.471 -2.347 3.377 1.00 10.00 O HETATM 1697 NB HEC A 110 3.245 0.725 -0.349 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.187 0.295 -1.082 1.00 10.00 C HETATM 1699 C2B HEC A 110 2.676 -0.068 -2.398 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.005 0.301 -2.464 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.353 0.764 -1.139 1.00 10.00 C HETATM 1702 CMB HEC A 110 1.898 -0.839 -3.442 1.00 10.00 C HETATM 1703 CAB HEC A 110 4.961 0.176 -3.658 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.389 0.721 -4.979 1.00 10.00 C HETATM 1705 NC HEC A 110 5.221 1.276 1.619 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.003 1.272 0.519 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.383 1.391 0.915 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.399 1.335 2.291 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.014 1.323 2.720 1.00 10.00 C HETATM 1710 CMC HEC A 110 8.564 1.414 -0.037 1.00 10.00 C HETATM 1711 CAC HEC A 110 8.612 1.256 3.204 1.00 10.00 C HETATM 1712 CBC HEC A 110 9.807 2.154 2.866 1.00 10.00 C HETATM 1713 ND HEC A 110 3.209 1.382 3.635 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.309 1.446 4.407 1.00 10.00 C HETATM 1715 C2D HEC A 110 3.902 1.716 5.764 1.00 10.00 C HETATM 1716 C3D HEC A 110 2.534 1.708 5.777 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.101 1.508 4.411 1.00 10.00 C HETATM 1718 CMD HEC A 110 4.801 2.056 6.936 1.00 10.00 C HETATM 1719 CAD HEC A 110 1.681 2.037 6.978 1.00 10.00 C HETATM 1720 CBD HEC A 110 1.528 3.552 7.122 1.00 10.00 C HETATM 1721 CGD HEC A 110 0.840 4.116 5.887 1.00 10.00 C HETATM 1722 O1D HEC A 110 -0.357 3.803 5.693 1.00 10.00 O HETATM 1723 O2D HEC A 110 1.550 4.783 5.103 1.00 10.00 O HETATM 0 HMD3 HEC A 110 5.502 1.239 7.106 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 5.354 2.969 6.717 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 4.194 2.205 7.829 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 8.588 0.487 -0.610 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 8.466 2.259 -0.718 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 9.488 1.512 0.532 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.626 -1.817 -3.045 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 0.993 -0.289 -3.701 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.513 -0.967 -4.333 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.761 -0.453 0.541 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.741 1.271 0.103 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.834 0.094 -0.876 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 0.946 3.786 8.013 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 2.506 4.016 7.249 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.177 1.908 1.871 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 9.495 3.198 2.889 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 10.599 1.996 3.598 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.482 0.174 -5.236 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.155 1.779 -4.865 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.125 0.596 -5.773 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -2.548 0.041 5.154 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -3.337 -0.739 3.798 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 0.700 1.574 6.873 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 2.134 1.623 7.879 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -2.033 1.834 3.912 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -3.034 1.158 2.643 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.384 1.330 4.812 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.363 1.288 -1.568 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.132 -0.191 -1.396 1.00 10.00 H new HETATM 0 HHA HEC A 110 0.021 1.685 4.735 1.00 10.00 H new HETATM 0 H2D HEC A 110 0.975 5.285 4.488 1.00 10.00 H new HETATM 0 H2A HEC A 110 -1.438 -3.149 3.940 1.00 10.00 H new