USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 883 hydrogens (36 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 105 IMD HN3 : A 105 IMD N3 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 13 LYS NZ :NH3+ -170:sc= -0.14 (180deg=-0.642!) USER MOD Set 1.2: A 86 LYS NZ :NH3+ 147:sc= 1.32 (180deg=-0.321) USER MOD Set 2.1: A 63 THR OG1 : rot 160:sc= 0.0327 USER MOD Set 2.2: A 74 TYR OH : rot -92:sc= 0.0312 USER MOD Set 3.1: A 55 LYS NZ :NH3+ 158:sc= -0.254 (180deg=-0.986) USER MOD Set 3.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 52 ASN : amide:sc= 0.302 K(o=1.1,f=-1.2!) USER MOD Set 5.2: A 110 HEC O2D : rot -110:sc= 0.84 USER MOD Single : A 1 GLY N :NH3+ 163:sc= 0.663 (180deg=0.453) 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+ 169:sc= -1.12! (180deg=-1.24!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.206 K(o=-0.21,f=-2.1!) USER MOD Single : A 19 THR OG1 : rot -172:sc= 0.104 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= -0.0707 X(o=-0.071,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.128 K(o=-0.13,f=-4!) USER MOD Single : A 33 HIS : no HE2:sc= 0.315 K(o=0.32,f=-2.5!) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0924) USER MOD Single : A 40 THR OG1 : rot -71:sc= 0.664 USER MOD Single : A 42 GLN : amide:sc=-0.00432 X(o=-0.0043,f=-0.49) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0555 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.781 X(o=-0.78,f=-0.6) 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 79 LYS NZ :NH3+ -102:sc= -0.203 (180deg=-0.935) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 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 -83:sc= 1.18 USER MOD Single : A 103 ASN : amide:sc= -0.194 K(o=-0.19,f=-2.7!) USER MOD Single : A 110 HEC O2A : rot 178:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.501 -4.424 -15.046 1.00 10.00 N ATOM 2 CA GLY A 1 -4.074 -4.243 -14.925 1.00 10.00 C ATOM 3 C GLY A 1 -3.489 -5.629 -15.197 1.00 10.00 C ATOM 4 O GLY A 1 -4.214 -6.618 -15.098 1.00 10.00 O ATOM 0 H1 GLY A 1 -5.992 -3.621 -14.603 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.760 -4.476 -16.052 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.781 -5.306 -14.570 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.705 -3.509 -15.641 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -3.802 -3.885 -13.932 1.00 10.00 H new ATOM 10 N ASP A 2 -2.252 -5.683 -15.639 1.00 10.00 N ATOM 11 CA ASP A 2 -1.483 -6.902 -15.853 1.00 10.00 C ATOM 12 C ASP A 2 -1.004 -7.478 -14.514 1.00 10.00 C ATOM 13 O ASP A 2 -0.233 -6.836 -13.805 1.00 10.00 O ATOM 14 CB ASP A 2 -0.266 -6.616 -16.737 1.00 10.00 C ATOM 15 CG ASP A 2 0.303 -7.900 -17.311 1.00 10.00 C ATOM 16 OD1 ASP A 2 0.309 -8.893 -16.552 1.00 10.00 O ATOM 17 OD2 ASP A 2 0.752 -7.866 -18.475 1.00 10.00 O ATOM 0 H ASP A 2 -1.725 -4.841 -15.872 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.130 -7.626 -16.347 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.551 -5.946 -17.548 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.499 -6.104 -16.154 1.00 10.00 H new ATOM 22 N VAL A 3 -1.426 -8.695 -14.165 1.00 10.00 N ATOM 23 CA VAL A 3 -0.945 -9.391 -12.974 1.00 10.00 C ATOM 24 C VAL A 3 0.557 -9.666 -13.094 1.00 10.00 C ATOM 25 O VAL A 3 1.288 -9.538 -12.110 1.00 10.00 O ATOM 26 CB VAL A 3 -1.746 -10.693 -12.774 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.266 -11.530 -11.576 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.234 -10.385 -12.562 1.00 10.00 C ATOM 0 H VAL A 3 -2.112 -9.225 -14.702 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.096 -8.762 -12.097 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.586 -11.272 -13.684 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.874 -12.431 -11.495 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.222 -11.808 -11.721 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.361 -10.945 -10.662 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.782 -11.317 -12.423 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.354 -9.758 -11.678 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.625 -9.861 -13.434 1.00 10.00 H new ATOM 38 N GLU A 4 1.033 -10.065 -14.279 1.00 10.00 N ATOM 39 CA GLU A 4 2.435 -10.391 -14.455 1.00 10.00 C ATOM 40 C GLU A 4 3.265 -9.152 -14.205 1.00 10.00 C ATOM 41 O GLU A 4 4.142 -9.171 -13.342 1.00 10.00 O ATOM 42 CB GLU A 4 2.742 -10.923 -15.856 1.00 10.00 C ATOM 43 CG GLU A 4 2.654 -12.446 -15.960 1.00 10.00 C ATOM 44 CD GLU A 4 3.950 -13.016 -16.519 1.00 10.00 C ATOM 45 OE1 GLU A 4 4.898 -13.142 -15.706 1.00 10.00 O ATOM 46 OE2 GLU A 4 4.002 -13.239 -17.744 1.00 10.00 O ATOM 0 H GLU A 4 0.465 -10.167 -15.120 1.00 10.00 H new ATOM 0 HA GLU A 4 2.681 -11.179 -13.743 1.00 10.00 H new ATOM 0 HB2 GLU A 4 2.046 -10.477 -16.567 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.743 -10.604 -16.147 1.00 10.00 H new ATOM 0 HG2 GLU A 4 2.456 -12.873 -14.977 1.00 10.00 H new ATOM 0 HG3 GLU A 4 1.819 -12.725 -16.603 1.00 10.00 H new ATOM 53 N LYS A 5 3.024 -8.088 -14.969 1.00 10.00 N ATOM 54 CA LYS A 5 3.790 -6.883 -14.737 1.00 10.00 C ATOM 55 C LYS A 5 3.559 -6.403 -13.314 1.00 10.00 C ATOM 56 O LYS A 5 4.535 -6.158 -12.626 1.00 10.00 O ATOM 57 CB LYS A 5 3.557 -5.796 -15.781 1.00 10.00 C ATOM 58 CG LYS A 5 4.423 -5.999 -17.036 1.00 10.00 C ATOM 59 CD LYS A 5 5.008 -4.658 -17.522 1.00 10.00 C ATOM 60 CE LYS A 5 4.602 -4.335 -18.962 1.00 10.00 C ATOM 61 NZ LYS A 5 5.331 -5.159 -19.946 1.00 10.00 N ATOM 0 H LYS A 5 2.335 -8.040 -15.720 1.00 10.00 H new ATOM 0 HA LYS A 5 4.845 -7.130 -14.853 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.505 -5.788 -16.065 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.777 -4.822 -15.344 1.00 10.00 H new ATOM 0 HG2 LYS A 5 5.232 -6.695 -16.816 1.00 10.00 H new ATOM 0 HG3 LYS A 5 3.823 -6.447 -17.828 1.00 10.00 H new ATOM 0 HD2 LYS A 5 4.671 -3.857 -16.864 1.00 10.00 H new ATOM 0 HD3 LYS A 5 6.095 -4.692 -17.452 1.00 10.00 H new ATOM 0 HE2 LYS A 5 3.530 -4.495 -19.080 1.00 10.00 H new ATOM 0 HE3 LYS A 5 4.791 -3.280 -19.163 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 5.024 -4.906 -20.907 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 6.353 -4.988 -19.853 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 5.131 -6.165 -19.773 1.00 10.00 H new ATOM 75 N GLY A 6 2.315 -6.349 -12.840 1.00 10.00 N ATOM 76 CA GLY A 6 1.991 -5.999 -11.467 1.00 10.00 C ATOM 77 C GLY A 6 2.899 -6.672 -10.436 1.00 10.00 C ATOM 78 O GLY A 6 3.373 -6.026 -9.498 1.00 10.00 O ATOM 0 H GLY A 6 1.495 -6.551 -13.412 1.00 10.00 H new ATOM 0 HA2 GLY A 6 2.060 -4.918 -11.350 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.956 -6.276 -11.264 1.00 10.00 H new ATOM 82 N LYS A 7 3.150 -7.973 -10.618 1.00 10.00 N ATOM 83 CA LYS A 7 3.989 -8.759 -9.740 1.00 10.00 C ATOM 84 C LYS A 7 5.372 -8.140 -9.740 1.00 10.00 C ATOM 85 O LYS A 7 5.923 -7.816 -8.690 1.00 10.00 O ATOM 86 CB LYS A 7 3.993 -10.220 -10.216 1.00 10.00 C ATOM 87 CG LYS A 7 4.838 -11.146 -9.336 1.00 10.00 C ATOM 88 CD LYS A 7 4.860 -12.561 -9.939 1.00 10.00 C ATOM 89 CE LYS A 7 4.606 -13.636 -8.872 1.00 10.00 C ATOM 90 NZ LYS A 7 4.634 -15.001 -9.440 1.00 10.00 N ATOM 0 H LYS A 7 2.764 -8.508 -11.396 1.00 10.00 H new ATOM 0 HA LYS A 7 3.615 -8.760 -8.716 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.968 -10.589 -10.239 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.369 -10.260 -11.238 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.854 -10.759 -9.256 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.428 -11.177 -8.326 1.00 10.00 H new ATOM 0 HD2 LYS A 7 4.102 -12.636 -10.719 1.00 10.00 H new ATOM 0 HD3 LYS A 7 5.825 -12.740 -10.413 1.00 10.00 H new ATOM 0 HE2 LYS A 7 5.360 -13.554 -8.089 1.00 10.00 H new ATOM 0 HE3 LYS A 7 3.638 -13.459 -8.403 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 4.458 -15.695 -8.685 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 3.898 -15.089 -10.169 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 5.566 -15.181 -9.865 1.00 10.00 H new ATOM 104 N LYS A 8 5.935 -7.968 -10.934 1.00 10.00 N ATOM 105 CA LYS A 8 7.277 -7.444 -11.036 1.00 10.00 C ATOM 106 C LYS A 8 7.317 -5.994 -10.540 1.00 10.00 C ATOM 107 O LYS A 8 8.252 -5.626 -9.847 1.00 10.00 O ATOM 108 CB LYS A 8 7.868 -7.628 -12.442 1.00 10.00 C ATOM 109 CG LYS A 8 8.373 -9.060 -12.724 1.00 10.00 C ATOM 110 CD LYS A 8 7.253 -10.103 -12.612 1.00 10.00 C ATOM 111 CE LYS A 8 7.490 -11.428 -13.363 1.00 10.00 C ATOM 112 NZ LYS A 8 6.276 -11.830 -14.116 1.00 10.00 N ATOM 0 H LYS A 8 5.485 -8.182 -11.824 1.00 10.00 H new ATOM 0 HA LYS A 8 7.927 -8.025 -10.382 1.00 10.00 H new ATOM 0 HB2 LYS A 8 7.110 -7.368 -13.181 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.694 -6.929 -12.573 1.00 10.00 H new ATOM 0 HG2 LYS A 8 8.806 -9.100 -13.724 1.00 10.00 H new ATOM 0 HG3 LYS A 8 9.169 -9.307 -12.022 1.00 10.00 H new ATOM 0 HD2 LYS A 8 7.097 -10.329 -11.557 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.330 -9.658 -12.983 1.00 10.00 H new ATOM 0 HE2 LYS A 8 8.329 -11.317 -14.049 1.00 10.00 H new ATOM 0 HE3 LYS A 8 7.759 -12.210 -12.654 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 6.509 -12.615 -14.758 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 5.539 -12.136 -13.449 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 5.928 -11.022 -14.670 1.00 10.00 H new ATOM 126 N ILE A 9 6.307 -5.174 -10.832 1.00 10.00 N ATOM 127 CA ILE A 9 6.210 -3.800 -10.385 1.00 10.00 C ATOM 128 C ILE A 9 6.307 -3.773 -8.866 1.00 10.00 C ATOM 129 O ILE A 9 7.225 -3.157 -8.342 1.00 10.00 O ATOM 130 CB ILE A 9 4.916 -3.155 -10.905 1.00 10.00 C ATOM 131 CG1 ILE A 9 4.995 -2.954 -12.426 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.692 -1.791 -10.249 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.642 -2.529 -13.000 1.00 10.00 C ATOM 0 H ILE A 9 5.514 -5.464 -11.404 1.00 10.00 H new ATOM 0 HA ILE A 9 7.032 -3.209 -10.790 1.00 10.00 H new ATOM 0 HB ILE A 9 4.090 -3.821 -10.658 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.745 -2.197 -12.657 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.320 -3.880 -12.901 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.771 -1.351 -10.630 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.615 -1.915 -9.169 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.531 -1.134 -10.480 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.730 -2.395 -14.078 1.00 10.00 H new ATOM 0 HD12 ILE A 9 2.900 -3.299 -12.790 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.331 -1.590 -12.542 1.00 10.00 H new ATOM 145 N PHE A 10 5.401 -4.448 -8.155 1.00 10.00 N ATOM 146 CA PHE A 10 5.457 -4.518 -6.697 1.00 10.00 C ATOM 147 C PHE A 10 6.898 -4.782 -6.214 1.00 10.00 C ATOM 148 O PHE A 10 7.391 -4.128 -5.290 1.00 10.00 O ATOM 149 CB PHE A 10 4.464 -5.586 -6.223 1.00 10.00 C ATOM 150 CG PHE A 10 4.461 -5.817 -4.727 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.643 -5.039 -3.886 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.297 -6.803 -4.173 1.00 10.00 C ATOM 153 CE1 PHE A 10 3.612 -5.295 -2.505 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.304 -7.024 -2.788 1.00 10.00 C ATOM 155 CZ PHE A 10 4.433 -6.298 -1.960 1.00 10.00 C ATOM 0 H PHE A 10 4.618 -4.955 -8.569 1.00 10.00 H new ATOM 0 HA PHE A 10 5.168 -3.563 -6.259 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.461 -5.296 -6.536 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.695 -6.527 -6.723 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.040 -4.246 -4.302 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.935 -7.391 -4.816 1.00 10.00 H new ATOM 0 HE1 PHE A 10 2.959 -4.722 -1.863 1.00 10.00 H new ATOM 0 HE2 PHE A 10 5.978 -7.751 -2.359 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.394 -6.510 -0.902 1.00 10.00 H new ATOM 165 N VAL A 11 7.592 -5.693 -6.906 1.00 10.00 N ATOM 166 CA VAL A 11 8.961 -6.098 -6.610 1.00 10.00 C ATOM 167 C VAL A 11 10.023 -5.082 -7.082 1.00 10.00 C ATOM 168 O VAL A 11 11.129 -5.034 -6.552 1.00 10.00 O ATOM 169 CB VAL A 11 9.203 -7.509 -7.175 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.623 -8.037 -6.910 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.206 -8.504 -6.572 1.00 10.00 C ATOM 0 H VAL A 11 7.199 -6.181 -7.711 1.00 10.00 H new ATOM 0 HA VAL A 11 9.077 -6.122 -5.526 1.00 10.00 H new ATOM 0 HB VAL A 11 9.070 -7.421 -8.253 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.725 -9.036 -7.335 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.351 -7.370 -7.372 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.801 -8.080 -5.835 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.390 -9.497 -6.982 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.328 -8.530 -5.489 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.190 -8.194 -6.816 1.00 10.00 H new ATOM 181 N GLN A 12 9.723 -4.276 -8.095 1.00 10.00 N ATOM 182 CA GLN A 12 10.629 -3.283 -8.664 1.00 10.00 C ATOM 183 C GLN A 12 10.359 -1.893 -8.097 1.00 10.00 C ATOM 184 O GLN A 12 11.077 -0.948 -8.419 1.00 10.00 O ATOM 185 CB GLN A 12 10.460 -3.276 -10.181 1.00 10.00 C ATOM 186 CG GLN A 12 10.924 -4.624 -10.764 1.00 10.00 C ATOM 187 CD GLN A 12 12.437 -4.671 -10.945 1.00 10.00 C ATOM 188 OE1 GLN A 12 12.957 -4.236 -11.965 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.157 -5.202 -9.959 1.00 10.00 N ATOM 0 H GLN A 12 8.814 -4.296 -8.558 1.00 10.00 H new ATOM 0 HA GLN A 12 11.653 -3.549 -8.402 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.416 -3.098 -10.439 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.039 -2.462 -10.617 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.612 -5.433 -10.103 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.437 -4.791 -11.725 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.693 -5.556 -9.122 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.172 -5.255 -10.040 1.00 10.00 H new ATOM 198 N LYS A 13 9.297 -1.756 -7.305 1.00 10.00 N ATOM 199 CA LYS A 13 8.876 -0.504 -6.717 1.00 10.00 C ATOM 200 C LYS A 13 9.043 -0.530 -5.207 1.00 10.00 C ATOM 201 O LYS A 13 9.543 0.438 -4.638 1.00 10.00 O ATOM 202 CB LYS A 13 7.413 -0.258 -7.071 1.00 10.00 C ATOM 203 CG LYS A 13 7.202 -0.098 -8.575 1.00 10.00 C ATOM 204 CD LYS A 13 8.025 1.066 -9.125 1.00 10.00 C ATOM 205 CE LYS A 13 7.455 1.548 -10.457 1.00 10.00 C ATOM 206 NZ LYS A 13 7.835 0.641 -11.553 1.00 10.00 N ATOM 0 H LYS A 13 8.695 -2.540 -7.053 1.00 10.00 H new ATOM 0 HA LYS A 13 9.497 0.300 -7.112 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.808 -1.089 -6.707 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.063 0.639 -6.559 1.00 10.00 H new ATOM 0 HG2 LYS A 13 7.483 -1.019 -9.085 1.00 10.00 H new ATOM 0 HG3 LYS A 13 6.145 0.070 -8.781 1.00 10.00 H new ATOM 0 HD2 LYS A 13 8.029 1.886 -8.407 1.00 10.00 H new ATOM 0 HD3 LYS A 13 9.061 0.754 -9.258 1.00 10.00 H new ATOM 0 HE2 LYS A 13 6.369 1.609 -10.391 1.00 10.00 H new ATOM 0 HE3 LYS A 13 7.818 2.553 -10.670 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 7.584 1.074 -12.465 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 8.860 0.470 -11.522 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 7.330 -0.262 -11.447 1.00 10.00 H new ATOM 220 N CYS A 14 8.577 -1.604 -4.563 1.00 10.00 N ATOM 221 CA CYS A 14 8.497 -1.668 -3.116 1.00 10.00 C ATOM 222 C CYS A 14 9.317 -2.875 -2.630 1.00 10.00 C ATOM 223 O CYS A 14 10.440 -2.684 -2.171 1.00 10.00 O ATOM 224 CB CYS A 14 7.048 -1.577 -2.639 1.00 10.00 C ATOM 225 SG CYS A 14 5.791 -1.247 -3.955 1.00 10.00 S ATOM 0 H CYS A 14 8.248 -2.446 -5.035 1.00 10.00 H new ATOM 0 HA CYS A 14 8.956 -0.799 -2.645 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.789 -2.511 -2.141 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.980 -0.787 -1.891 1.00 10.00 H new ATOM 230 N ALA A 15 8.808 -4.106 -2.775 1.00 10.00 N ATOM 231 CA ALA A 15 9.464 -5.373 -2.408 1.00 10.00 C ATOM 232 C ALA A 15 10.140 -5.396 -1.033 1.00 10.00 C ATOM 233 O ALA A 15 9.618 -5.949 -0.070 1.00 10.00 O ATOM 234 CB ALA A 15 10.467 -5.803 -3.489 1.00 10.00 C ATOM 0 H ALA A 15 7.880 -4.255 -3.172 1.00 10.00 H new ATOM 0 HA ALA A 15 8.644 -6.087 -2.338 1.00 10.00 H new ATOM 0 HB1 ALA A 15 10.938 -6.741 -3.195 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.945 -5.940 -4.436 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.230 -5.034 -3.604 1.00 10.00 H new ATOM 240 N GLN A 16 11.325 -4.803 -0.916 1.00 10.00 N ATOM 241 CA GLN A 16 12.090 -4.710 0.317 1.00 10.00 C ATOM 242 C GLN A 16 11.494 -3.584 1.179 1.00 10.00 C ATOM 243 O GLN A 16 12.200 -2.724 1.697 1.00 10.00 O ATOM 244 CB GLN A 16 13.584 -4.544 -0.040 1.00 10.00 C ATOM 245 CG GLN A 16 14.385 -5.865 0.039 1.00 10.00 C ATOM 246 CD GLN A 16 15.481 -5.875 1.112 1.00 10.00 C ATOM 247 OE1 GLN A 16 15.649 -4.936 1.881 1.00 10.00 O ATOM 248 NE2 GLN A 16 16.246 -6.960 1.192 1.00 10.00 N ATOM 0 H GLN A 16 11.792 -4.360 -1.707 1.00 10.00 H new ATOM 0 HA GLN A 16 12.028 -5.615 0.922 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.666 -4.138 -1.048 1.00 10.00 H new ATOM 0 HB3 GLN A 16 14.032 -3.815 0.635 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.693 -6.684 0.235 1.00 10.00 H new ATOM 0 HG3 GLN A 16 14.841 -6.058 -0.932 1.00 10.00 H new ATOM 0 HE21 GLN A 16 16.099 -7.737 0.547 1.00 10.00 H new ATOM 0 HE22 GLN A 16 16.980 -7.015 1.898 1.00 10.00 H new ATOM 257 N CYS A 17 10.173 -3.639 1.372 1.00 10.00 N ATOM 258 CA CYS A 17 9.432 -2.843 2.339 1.00 10.00 C ATOM 259 C CYS A 17 8.057 -3.468 2.591 1.00 10.00 C ATOM 260 O CYS A 17 7.610 -3.480 3.737 1.00 10.00 O ATOM 261 CB CYS A 17 9.322 -1.374 1.971 1.00 10.00 C ATOM 262 SG CYS A 17 8.911 -0.521 3.529 1.00 10.00 S ATOM 0 H CYS A 17 9.573 -4.265 0.835 1.00 10.00 H new ATOM 0 HA CYS A 17 10.007 -2.858 3.265 1.00 10.00 H new ATOM 0 HB2 CYS A 17 10.257 -1.002 1.553 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.550 -1.213 1.218 1.00 10.00 H new ATOM 267 N HIS A 18 7.399 -3.996 1.547 1.00 10.00 N ATOM 268 CA HIS A 18 6.090 -4.628 1.647 1.00 10.00 C ATOM 269 C HIS A 18 6.143 -6.079 1.242 1.00 10.00 C ATOM 270 O HIS A 18 6.951 -6.471 0.407 1.00 10.00 O ATOM 271 CB HIS A 18 5.109 -3.949 0.704 1.00 10.00 C ATOM 272 CG HIS A 18 4.357 -2.874 1.399 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.283 -3.039 2.240 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.477 -1.558 1.112 1.00 10.00 C ATOM 275 CE1 HIS A 18 2.704 -1.836 2.371 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.437 -0.888 1.741 1.00 10.00 N ATOM 0 H HIS A 18 7.774 -3.992 0.598 1.00 10.00 H new ATOM 0 HA HIS A 18 5.777 -4.539 2.687 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.648 -3.529 -0.146 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.412 -4.687 0.307 1.00 10.00 H new ATOM 0 HD1 HIS A 18 2.984 -3.909 2.680 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.246 -1.108 0.501 1.00 10.00 H new ATOM 0 HE1 HIS A 18 1.783 -1.650 2.904 1.00 10.00 H new ATOM 284 N THR A 19 5.182 -6.838 1.760 1.00 10.00 N ATOM 285 CA THR A 19 5.056 -8.236 1.453 1.00 10.00 C ATOM 286 C THR A 19 3.571 -8.568 1.320 1.00 10.00 C ATOM 287 O THR A 19 2.765 -8.108 2.125 1.00 10.00 O ATOM 288 CB THR A 19 5.762 -9.033 2.557 1.00 10.00 C ATOM 289 OG1 THR A 19 7.057 -8.543 2.862 1.00 10.00 O ATOM 290 CG2 THR A 19 5.897 -10.450 2.057 1.00 10.00 C ATOM 0 H THR A 19 4.473 -6.488 2.405 1.00 10.00 H new ATOM 0 HA THR A 19 5.530 -8.500 0.507 1.00 10.00 H new ATOM 0 HB THR A 19 5.170 -8.952 3.469 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.507 -9.164 3.472 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.396 -11.057 2.813 1.00 10.00 H new ATOM 0 HG22 THR A 19 4.908 -10.861 1.857 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.485 -10.458 1.139 1.00 10.00 H new ATOM 298 N VAL A 20 3.190 -9.312 0.282 1.00 10.00 N ATOM 299 CA VAL A 20 1.799 -9.669 0.023 1.00 10.00 C ATOM 300 C VAL A 20 1.630 -11.184 0.084 1.00 10.00 C ATOM 301 O VAL A 20 0.692 -11.730 -0.482 1.00 10.00 O ATOM 302 CB VAL A 20 1.325 -9.029 -1.294 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.121 -7.531 -1.060 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.299 -9.229 -2.457 1.00 10.00 C ATOM 0 H VAL A 20 3.844 -9.685 -0.406 1.00 10.00 H new ATOM 0 HA VAL A 20 1.149 -9.265 0.799 1.00 10.00 H new ATOM 0 HB VAL A 20 0.397 -9.524 -1.579 1.00 10.00 H new ATOM 0 HG11 VAL A 20 0.785 -7.061 -1.984 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.371 -7.383 -0.284 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.062 -7.080 -0.745 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.900 -8.752 -3.352 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.261 -8.783 -2.206 1.00 10.00 H new ATOM 0 HG23 VAL A 20 2.431 -10.295 -2.642 1.00 10.00 H new ATOM 314 N GLU A 21 2.493 -11.858 0.841 1.00 10.00 N ATOM 315 CA GLU A 21 2.465 -13.293 1.031 1.00 10.00 C ATOM 316 C GLU A 21 2.546 -13.568 2.534 1.00 10.00 C ATOM 317 O GLU A 21 3.226 -12.856 3.279 1.00 10.00 O ATOM 318 CB GLU A 21 3.578 -13.938 0.190 1.00 10.00 C ATOM 319 CG GLU A 21 4.999 -13.537 0.619 1.00 10.00 C ATOM 320 CD GLU A 21 5.817 -12.912 -0.505 1.00 10.00 C ATOM 321 OE1 GLU A 21 5.318 -11.921 -1.083 1.00 10.00 O ATOM 322 OE2 GLU A 21 6.940 -13.411 -0.731 1.00 10.00 O ATOM 0 H GLU A 21 3.250 -11.401 1.350 1.00 10.00 H new ATOM 0 HA GLU A 21 1.540 -13.748 0.678 1.00 10.00 H new ATOM 0 HB2 GLU A 21 3.483 -15.022 0.251 1.00 10.00 H new ATOM 0 HB3 GLU A 21 3.434 -13.664 -0.855 1.00 10.00 H new ATOM 0 HG2 GLU A 21 4.935 -12.831 1.447 1.00 10.00 H new ATOM 0 HG3 GLU A 21 5.521 -14.419 0.991 1.00 10.00 H new ATOM 329 N LYS A 22 1.787 -14.559 3.000 1.00 10.00 N ATOM 330 CA LYS A 22 1.800 -14.965 4.395 1.00 10.00 C ATOM 331 C LYS A 22 3.194 -15.495 4.754 1.00 10.00 C ATOM 332 O LYS A 22 3.847 -16.144 3.942 1.00 10.00 O ATOM 333 CB LYS A 22 0.683 -16.000 4.642 1.00 10.00 C ATOM 334 CG LYS A 22 -0.398 -15.471 5.598 1.00 10.00 C ATOM 335 CD LYS A 22 0.061 -15.674 7.049 1.00 10.00 C ATOM 336 CE LYS A 22 -0.655 -14.784 8.076 1.00 10.00 C ATOM 337 NZ LYS A 22 -2.009 -15.267 8.421 1.00 10.00 N ATOM 0 H LYS A 22 1.148 -15.100 2.417 1.00 10.00 H new ATOM 0 HA LYS A 22 1.597 -14.116 5.047 1.00 10.00 H new ATOM 0 HB2 LYS A 22 0.224 -16.270 3.691 1.00 10.00 H new ATOM 0 HB3 LYS A 22 1.118 -16.910 5.056 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -0.582 -14.414 5.408 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -1.339 -15.994 5.426 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -0.093 -16.718 7.322 1.00 10.00 H new ATOM 0 HD3 LYS A 22 1.133 -15.484 7.107 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -0.053 -14.731 8.983 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -0.727 -13.771 7.681 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -2.440 -14.625 9.117 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -2.597 -15.293 7.564 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -1.944 -16.223 8.825 1.00 10.00 H new ATOM 351 N GLY A 23 3.657 -15.204 5.974 1.00 10.00 N ATOM 352 CA GLY A 23 4.974 -15.624 6.437 1.00 10.00 C ATOM 353 C GLY A 23 6.103 -14.896 5.705 1.00 10.00 C ATOM 354 O GLY A 23 7.210 -15.417 5.600 1.00 10.00 O ATOM 0 H GLY A 23 3.127 -14.671 6.664 1.00 10.00 H new ATOM 0 HA2 GLY A 23 5.058 -15.437 7.508 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.083 -16.699 6.292 1.00 10.00 H new ATOM 358 N GLY A 24 5.842 -13.666 5.253 1.00 10.00 N ATOM 359 CA GLY A 24 6.794 -12.858 4.503 1.00 10.00 C ATOM 360 C GLY A 24 7.449 -11.758 5.346 1.00 10.00 C ATOM 361 O GLY A 24 8.080 -10.843 4.808 1.00 10.00 O ATOM 0 H GLY A 24 4.947 -13.201 5.403 1.00 10.00 H new ATOM 0 HA2 GLY A 24 7.570 -13.506 4.097 1.00 10.00 H new ATOM 0 HA3 GLY A 24 6.284 -12.401 3.655 1.00 10.00 H new ATOM 365 N LYS A 25 7.317 -11.871 6.673 1.00 10.00 N ATOM 366 CA LYS A 25 7.879 -10.966 7.667 1.00 10.00 C ATOM 367 C LYS A 25 7.277 -9.556 7.540 1.00 10.00 C ATOM 368 O LYS A 25 6.399 -9.317 6.714 1.00 10.00 O ATOM 369 CB LYS A 25 9.422 -10.995 7.636 1.00 10.00 C ATOM 370 CG LYS A 25 9.976 -12.404 7.351 1.00 10.00 C ATOM 371 CD LYS A 25 11.333 -12.689 8.012 1.00 10.00 C ATOM 372 CE LYS A 25 11.145 -13.123 9.477 1.00 10.00 C ATOM 373 NZ LYS A 25 12.395 -13.628 10.087 1.00 10.00 N ATOM 0 H LYS A 25 6.789 -12.634 7.097 1.00 10.00 H new ATOM 0 HA LYS A 25 7.597 -11.316 8.660 1.00 10.00 H new ATOM 0 HB2 LYS A 25 9.781 -10.305 6.872 1.00 10.00 H new ATOM 0 HB3 LYS A 25 9.809 -10.642 8.592 1.00 10.00 H new ATOM 0 HG2 LYS A 25 9.253 -13.144 7.696 1.00 10.00 H new ATOM 0 HG3 LYS A 25 10.075 -12.533 6.273 1.00 10.00 H new ATOM 0 HD2 LYS A 25 11.855 -13.471 7.460 1.00 10.00 H new ATOM 0 HD3 LYS A 25 11.958 -11.797 7.969 1.00 10.00 H new ATOM 0 HE2 LYS A 25 10.778 -12.277 10.058 1.00 10.00 H new ATOM 0 HE3 LYS A 25 10.382 -13.899 9.527 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 12.213 -13.906 11.072 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 12.734 -14.452 9.551 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 13.118 -12.881 10.066 1.00 10.00 H new ATOM 387 N HIS A 26 7.727 -8.630 8.388 1.00 10.00 N ATOM 388 CA HIS A 26 7.260 -7.251 8.419 1.00 10.00 C ATOM 389 C HIS A 26 8.421 -6.396 8.921 1.00 10.00 C ATOM 390 O HIS A 26 8.761 -6.447 10.097 1.00 10.00 O ATOM 391 CB HIS A 26 5.990 -7.122 9.282 1.00 10.00 C ATOM 392 CG HIS A 26 5.951 -7.981 10.526 1.00 10.00 C ATOM 393 ND1 HIS A 26 5.241 -9.154 10.662 1.00 10.00 N ATOM 394 CD2 HIS A 26 6.563 -7.730 11.727 1.00 10.00 C ATOM 395 CE1 HIS A 26 5.442 -9.607 11.912 1.00 10.00 C ATOM 396 NE2 HIS A 26 6.249 -8.780 12.595 1.00 10.00 N ATOM 0 H HIS A 26 8.443 -8.827 9.087 1.00 10.00 H new ATOM 0 HA HIS A 26 6.967 -6.905 7.428 1.00 10.00 H new ATOM 0 HB2 HIS A 26 5.880 -6.079 9.580 1.00 10.00 H new ATOM 0 HB3 HIS A 26 5.127 -7.370 8.664 1.00 10.00 H new ATOM 0 HD2 HIS A 26 7.178 -6.874 11.961 1.00 10.00 H new ATOM 0 HE1 HIS A 26 5.012 -10.513 12.312 1.00 10.00 H new ATOM 0 HE2 HIS A 26 6.570 -8.895 13.556 1.00 10.00 H new ATOM 404 N LYS A 27 9.089 -5.681 8.011 1.00 10.00 N ATOM 405 CA LYS A 27 10.220 -4.827 8.353 1.00 10.00 C ATOM 406 C LYS A 27 9.703 -3.417 8.640 1.00 10.00 C ATOM 407 O LYS A 27 9.660 -2.997 9.791 1.00 10.00 O ATOM 408 CB LYS A 27 11.255 -4.863 7.218 1.00 10.00 C ATOM 409 CG LYS A 27 12.048 -6.183 7.232 1.00 10.00 C ATOM 410 CD LYS A 27 12.256 -6.759 5.822 1.00 10.00 C ATOM 411 CE LYS A 27 11.002 -7.530 5.372 1.00 10.00 C ATOM 412 NZ LYS A 27 11.111 -8.061 3.995 1.00 10.00 N ATOM 0 H LYS A 27 8.857 -5.681 7.018 1.00 10.00 H new ATOM 0 HA LYS A 27 10.723 -5.185 9.251 1.00 10.00 H new ATOM 0 HB2 LYS A 27 10.751 -4.748 6.258 1.00 10.00 H new ATOM 0 HB3 LYS A 27 11.941 -4.022 7.320 1.00 10.00 H new ATOM 0 HG2 LYS A 27 13.018 -6.015 7.699 1.00 10.00 H new ATOM 0 HG3 LYS A 27 11.521 -6.914 7.845 1.00 10.00 H new ATOM 0 HD2 LYS A 27 12.468 -5.953 5.120 1.00 10.00 H new ATOM 0 HD3 LYS A 27 13.121 -7.422 5.816 1.00 10.00 H new ATOM 0 HE2 LYS A 27 10.824 -8.356 6.061 1.00 10.00 H new ATOM 0 HE3 LYS A 27 10.136 -6.871 5.434 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 10.238 -8.569 3.749 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 11.253 -7.274 3.330 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 11.919 -8.713 3.937 1.00 10.00 H new ATOM 426 N THR A 28 9.310 -2.697 7.588 1.00 10.00 N ATOM 427 CA THR A 28 8.684 -1.387 7.696 1.00 10.00 C ATOM 428 C THR A 28 7.215 -1.498 7.281 1.00 10.00 C ATOM 429 O THR A 28 6.337 -1.281 8.113 1.00 10.00 O ATOM 430 CB THR A 28 9.511 -0.350 6.927 1.00 10.00 C ATOM 431 OG1 THR A 28 10.750 -0.166 7.576 1.00 10.00 O ATOM 432 CG2 THR A 28 8.815 1.009 6.842 1.00 10.00 C ATOM 0 H THR A 28 9.421 -3.016 6.625 1.00 10.00 H new ATOM 0 HA THR A 28 8.672 -1.027 8.725 1.00 10.00 H new ATOM 0 HB THR A 28 9.641 -0.733 5.915 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.281 0.495 7.085 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.444 1.706 6.288 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.859 0.897 6.331 1.00 10.00 H new ATOM 0 HG23 THR A 28 8.646 1.394 7.847 1.00 10.00 H new ATOM 440 N GLY A 29 6.918 -1.830 6.020 1.00 10.00 N ATOM 441 CA GLY A 29 5.540 -1.979 5.582 1.00 10.00 C ATOM 442 C GLY A 29 4.921 -3.219 6.213 1.00 10.00 C ATOM 443 O GLY A 29 5.576 -4.262 6.257 1.00 10.00 O ATOM 0 H GLY A 29 7.614 -1.998 5.294 1.00 10.00 H new ATOM 0 HA2 GLY A 29 4.965 -1.095 5.858 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.502 -2.057 4.495 1.00 10.00 H new ATOM 447 N PRO A 30 3.672 -3.145 6.700 1.00 10.00 N ATOM 448 CA PRO A 30 2.988 -4.344 7.106 1.00 10.00 C ATOM 449 C PRO A 30 2.742 -5.213 5.884 1.00 10.00 C ATOM 450 O PRO A 30 2.524 -4.723 4.770 1.00 10.00 O ATOM 451 CB PRO A 30 1.697 -3.902 7.793 1.00 10.00 C ATOM 452 CG PRO A 30 1.440 -2.483 7.282 1.00 10.00 C ATOM 453 CD PRO A 30 2.807 -1.980 6.804 1.00 10.00 C ATOM 0 HA PRO A 30 3.570 -4.947 7.803 1.00 10.00 H new ATOM 0 HB2 PRO A 30 0.870 -4.567 7.544 1.00 10.00 H new ATOM 0 HB3 PRO A 30 1.802 -3.917 8.878 1.00 10.00 H new ATOM 0 HG2 PRO A 30 0.713 -2.482 6.470 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.039 -1.846 8.070 1.00 10.00 H new ATOM 0 HD2 PRO A 30 2.719 -1.477 5.841 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.219 -1.255 7.506 1.00 10.00 H new ATOM 461 N ASN A 31 2.814 -6.522 6.115 1.00 10.00 N ATOM 462 CA ASN A 31 2.491 -7.508 5.115 1.00 10.00 C ATOM 463 C ASN A 31 1.011 -7.363 4.765 1.00 10.00 C ATOM 464 O ASN A 31 0.147 -7.837 5.497 1.00 10.00 O ATOM 465 CB ASN A 31 2.863 -8.915 5.595 1.00 10.00 C ATOM 466 CG ASN A 31 2.164 -9.327 6.888 1.00 10.00 C ATOM 467 OD1 ASN A 31 2.231 -8.618 7.890 1.00 10.00 O ATOM 468 ND2 ASN A 31 1.525 -10.494 6.895 1.00 10.00 N ATOM 0 H ASN A 31 3.101 -6.919 7.010 1.00 10.00 H new ATOM 0 HA ASN A 31 3.075 -7.346 4.209 1.00 10.00 H new ATOM 0 HB2 ASN A 31 2.615 -9.633 4.814 1.00 10.00 H new ATOM 0 HB3 ASN A 31 3.942 -8.965 5.744 1.00 10.00 H new ATOM 0 HD21 ASN A 31 1.073 -10.823 7.748 1.00 10.00 H new ATOM 0 HD22 ASN A 31 1.487 -11.060 6.047 1.00 10.00 H new ATOM 475 N LEU A 32 0.738 -6.648 3.673 1.00 10.00 N ATOM 476 CA LEU A 32 -0.588 -6.222 3.243 1.00 10.00 C ATOM 477 C LEU A 32 -1.592 -7.378 3.309 1.00 10.00 C ATOM 478 O LEU A 32 -2.622 -7.246 3.962 1.00 10.00 O ATOM 479 CB LEU A 32 -0.471 -5.698 1.810 1.00 10.00 C ATOM 480 CG LEU A 32 0.017 -4.260 1.628 1.00 10.00 C ATOM 481 CD1 LEU A 32 1.148 -4.275 0.587 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.080 -3.390 1.066 1.00 10.00 C ATOM 0 H LEU A 32 1.472 -6.337 3.037 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.956 -5.440 3.907 1.00 10.00 H new ATOM 0 HB2 LEU A 32 0.206 -6.356 1.264 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -1.450 -5.785 1.338 1.00 10.00 H new ATOM 0 HG LEU A 32 0.339 -3.872 2.594 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.517 -3.261 0.436 1.00 10.00 H new ATOM 0 HD12 LEU A 32 1.961 -4.908 0.942 1.00 10.00 H new ATOM 0 HD13 LEU A 32 0.769 -4.667 -0.357 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -0.711 -2.372 0.945 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -1.394 -3.780 0.098 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.929 -3.389 1.749 1.00 10.00 H new ATOM 494 N HIS A 33 -1.279 -8.472 2.598 1.00 10.00 N ATOM 495 CA HIS A 33 -1.957 -9.769 2.590 1.00 10.00 C ATOM 496 C HIS A 33 -3.344 -9.756 3.260 1.00 10.00 C ATOM 497 O HIS A 33 -3.498 -10.149 4.416 1.00 10.00 O ATOM 498 CB HIS A 33 -1.002 -10.831 3.141 1.00 10.00 C ATOM 499 CG HIS A 33 -1.376 -12.233 2.735 1.00 10.00 C ATOM 500 ND1 HIS A 33 -0.979 -12.909 1.597 1.00 10.00 N ATOM 501 CD2 HIS A 33 -2.064 -13.112 3.520 1.00 10.00 C ATOM 502 CE1 HIS A 33 -1.400 -14.181 1.729 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.050 -14.357 2.893 1.00 10.00 N ATOM 0 H HIS A 33 -0.480 -8.468 1.964 1.00 10.00 H new ATOM 0 HA HIS A 33 -2.198 -10.028 1.559 1.00 10.00 H new ATOM 0 HB2 HIS A 33 0.009 -10.617 2.794 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -0.986 -10.767 4.229 1.00 10.00 H new ATOM 0 HD1 HIS A 33 -0.465 -12.519 0.807 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -2.537 -12.883 4.463 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -1.237 -14.958 0.997 1.00 10.00 H new ATOM 511 N GLY A 34 -4.340 -9.266 2.516 1.00 10.00 N ATOM 512 CA GLY A 34 -5.694 -8.982 2.969 1.00 10.00 C ATOM 513 C GLY A 34 -6.002 -7.483 2.963 1.00 10.00 C ATOM 514 O GLY A 34 -6.970 -7.055 3.588 1.00 10.00 O ATOM 0 H GLY A 34 -4.210 -9.047 1.528 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.406 -9.500 2.327 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -5.828 -9.375 3.977 1.00 10.00 H new ATOM 518 N LEU A 35 -5.203 -6.689 2.236 1.00 10.00 N ATOM 519 CA LEU A 35 -5.415 -5.258 2.056 1.00 10.00 C ATOM 520 C LEU A 35 -6.861 -4.981 1.648 1.00 10.00 C ATOM 521 O LEU A 35 -7.567 -4.182 2.262 1.00 10.00 O ATOM 522 CB LEU A 35 -4.453 -4.760 0.962 1.00 10.00 C ATOM 523 CG LEU A 35 -4.661 -3.333 0.407 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.366 -2.212 1.402 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.824 -3.168 -0.858 1.00 10.00 C ATOM 0 H LEU A 35 -4.377 -7.037 1.750 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.222 -4.735 2.993 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.439 -4.820 1.357 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.511 -5.456 0.125 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.724 -3.234 0.187 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.539 -1.247 0.925 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -5.021 -2.312 2.267 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.327 -2.276 1.725 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.964 -2.164 -1.258 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.771 -3.321 -0.620 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -4.138 -3.901 -1.601 1.00 10.00 H new ATOM 537 N PHE A 36 -7.281 -5.656 0.577 1.00 10.00 N ATOM 538 CA PHE A 36 -8.617 -5.538 0.032 1.00 10.00 C ATOM 539 C PHE A 36 -9.582 -6.256 0.965 1.00 10.00 C ATOM 540 O PHE A 36 -9.610 -7.484 0.992 1.00 10.00 O ATOM 541 CB PHE A 36 -8.695 -6.113 -1.385 1.00 10.00 C ATOM 542 CG PHE A 36 -7.859 -5.370 -2.409 1.00 10.00 C ATOM 543 CD1 PHE A 36 -6.477 -5.591 -2.458 1.00 10.00 C ATOM 544 CD2 PHE A 36 -8.450 -4.495 -3.337 1.00 10.00 C ATOM 545 CE1 PHE A 36 -5.700 -5.006 -3.464 1.00 10.00 C ATOM 546 CE2 PHE A 36 -7.651 -3.815 -4.275 1.00 10.00 C ATOM 547 CZ PHE A 36 -6.272 -4.078 -4.346 1.00 10.00 C ATOM 0 H PHE A 36 -6.688 -6.307 0.063 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.887 -4.484 -0.041 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.375 -7.155 -1.359 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.735 -6.107 -1.710 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -6.008 -6.217 -1.714 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -9.519 -4.344 -3.330 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -4.657 -5.270 -3.561 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -8.097 -3.091 -4.940 1.00 10.00 H new ATOM 0 HZ PHE A 36 -5.658 -3.569 -5.074 1.00 10.00 H new ATOM 557 N GLY A 37 -10.375 -5.485 1.707 1.00 10.00 N ATOM 558 CA GLY A 37 -11.376 -5.997 2.633 1.00 10.00 C ATOM 559 C GLY A 37 -11.014 -5.653 4.072 1.00 10.00 C ATOM 560 O GLY A 37 -11.205 -6.461 4.977 1.00 10.00 O ATOM 0 H GLY A 37 -10.336 -4.466 1.679 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.351 -5.576 2.389 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.459 -7.078 2.523 1.00 10.00 H new ATOM 564 N ARG A 38 -10.519 -4.434 4.292 1.00 10.00 N ATOM 565 CA ARG A 38 -10.229 -3.903 5.606 1.00 10.00 C ATOM 566 C ARG A 38 -10.165 -2.384 5.466 1.00 10.00 C ATOM 567 O ARG A 38 -10.221 -1.857 4.352 1.00 10.00 O ATOM 568 CB ARG A 38 -8.903 -4.484 6.136 1.00 10.00 C ATOM 569 CG ARG A 38 -9.017 -5.081 7.549 1.00 10.00 C ATOM 570 CD ARG A 38 -8.931 -6.610 7.538 1.00 10.00 C ATOM 571 NE ARG A 38 -8.805 -7.128 8.911 1.00 10.00 N ATOM 572 CZ ARG A 38 -8.268 -8.313 9.245 1.00 10.00 C ATOM 573 NH1 ARG A 38 -7.882 -9.164 8.288 1.00 10.00 N ATOM 574 NH2 ARG A 38 -8.122 -8.641 10.534 1.00 10.00 N ATOM 0 H ARG A 38 -10.307 -3.781 3.538 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.999 -4.179 6.326 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.554 -5.256 5.451 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -8.148 -3.698 6.142 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -8.222 -4.678 8.177 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -9.963 -4.775 7.996 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -9.820 -7.027 7.066 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -8.075 -6.928 6.943 1.00 10.00 H new ATOM 0 HE ARG A 38 -9.153 -6.540 9.668 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -7.996 -8.913 7.306 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -7.474 -10.064 8.540 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -8.418 -7.991 11.262 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -7.714 -9.541 10.788 1.00 10.00 H new ATOM 588 N LYS A 39 -10.060 -1.694 6.601 1.00 10.00 N ATOM 589 CA LYS A 39 -9.780 -0.273 6.668 1.00 10.00 C ATOM 590 C LYS A 39 -8.346 -0.090 7.149 1.00 10.00 C ATOM 591 O LYS A 39 -7.763 -1.008 7.715 1.00 10.00 O ATOM 592 CB LYS A 39 -10.784 0.398 7.618 1.00 10.00 C ATOM 593 CG LYS A 39 -11.892 1.125 6.843 1.00 10.00 C ATOM 594 CD LYS A 39 -13.173 1.198 7.686 1.00 10.00 C ATOM 595 CE LYS A 39 -14.105 0.006 7.405 1.00 10.00 C ATOM 596 NZ LYS A 39 -15.113 0.319 6.368 1.00 10.00 N ATOM 0 H LYS A 39 -10.171 -2.125 7.519 1.00 10.00 H new ATOM 0 HA LYS A 39 -9.884 0.194 5.689 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.228 -0.354 8.270 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -10.261 1.108 8.259 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -11.563 2.131 6.582 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -12.093 0.603 5.908 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -12.912 1.215 8.744 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -13.698 2.129 7.472 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -13.511 -0.850 7.086 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -14.611 -0.283 8.326 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -15.535 -0.564 6.016 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -15.857 0.919 6.777 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -14.656 0.822 5.581 1.00 10.00 H new ATOM 610 N THR A 40 -7.808 1.108 6.929 1.00 10.00 N ATOM 611 CA THR A 40 -6.475 1.521 7.362 1.00 10.00 C ATOM 612 C THR A 40 -6.146 0.999 8.765 1.00 10.00 C ATOM 613 O THR A 40 -5.364 0.068 8.942 1.00 10.00 O ATOM 614 CB THR A 40 -6.420 3.052 7.287 1.00 10.00 C ATOM 615 OG1 THR A 40 -7.407 3.623 8.134 1.00 10.00 O ATOM 616 CG2 THR A 40 -6.731 3.518 5.863 1.00 10.00 C ATOM 0 H THR A 40 -8.306 1.843 6.427 1.00 10.00 H new ATOM 0 HA THR A 40 -5.716 1.091 6.708 1.00 10.00 H new ATOM 0 HB THR A 40 -5.421 3.364 7.592 1.00 10.00 H new ATOM 0 HG1 THR A 40 -8.296 3.469 7.751 1.00 10.00 H new ATOM 0 HG21 THR A 40 -6.690 4.606 5.819 1.00 10.00 H new ATOM 0 HG22 THR A 40 -5.997 3.099 5.175 1.00 10.00 H new ATOM 0 HG23 THR A 40 -7.728 3.181 5.580 1.00 10.00 H new ATOM 624 N GLY A 41 -6.813 1.566 9.771 1.00 10.00 N ATOM 625 CA GLY A 41 -6.607 1.263 11.173 1.00 10.00 C ATOM 626 C GLY A 41 -7.173 -0.093 11.599 1.00 10.00 C ATOM 627 O GLY A 41 -7.781 -0.179 12.665 1.00 10.00 O ATOM 0 H GLY A 41 -7.534 2.271 9.619 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -5.538 1.284 11.387 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -7.068 2.045 11.776 1.00 10.00 H new ATOM 631 N GLN A 42 -6.981 -1.140 10.792 1.00 10.00 N ATOM 632 CA GLN A 42 -7.402 -2.509 11.054 1.00 10.00 C ATOM 633 C GLN A 42 -6.260 -3.457 10.671 1.00 10.00 C ATOM 634 O GLN A 42 -6.485 -4.507 10.069 1.00 10.00 O ATOM 635 CB GLN A 42 -8.674 -2.824 10.249 1.00 10.00 C ATOM 636 CG GLN A 42 -9.849 -1.886 10.551 1.00 10.00 C ATOM 637 CD GLN A 42 -10.356 -2.048 11.980 1.00 10.00 C ATOM 638 OE1 GLN A 42 -10.430 -3.159 12.493 1.00 10.00 O ATOM 639 NE2 GLN A 42 -10.730 -0.954 12.634 1.00 10.00 N ATOM 0 H GLN A 42 -6.504 -1.046 9.895 1.00 10.00 H new ATOM 0 HA GLN A 42 -7.632 -2.639 12.112 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.442 -2.769 9.185 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.978 -3.850 10.456 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -9.539 -0.853 10.391 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -10.662 -2.087 9.853 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -10.658 -0.041 12.184 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -11.089 -1.027 13.586 1.00 10.00 H new ATOM 648 N ALA A 43 -5.025 -3.074 11.012 1.00 10.00 N ATOM 649 CA ALA A 43 -3.840 -3.860 10.696 1.00 10.00 C ATOM 650 C ALA A 43 -3.914 -5.225 11.396 1.00 10.00 C ATOM 651 O ALA A 43 -4.538 -5.316 12.454 1.00 10.00 O ATOM 652 CB ALA A 43 -2.583 -3.094 11.119 1.00 10.00 C ATOM 0 H ALA A 43 -4.825 -2.209 11.515 1.00 10.00 H new ATOM 0 HA ALA A 43 -3.794 -4.031 9.621 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.699 -3.686 10.881 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -2.539 -2.144 10.586 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -2.615 -2.906 12.192 1.00 10.00 H new ATOM 658 N PRO A 44 -3.298 -6.287 10.848 1.00 10.00 N ATOM 659 CA PRO A 44 -3.409 -7.613 11.431 1.00 10.00 C ATOM 660 C PRO A 44 -2.551 -7.737 12.692 1.00 10.00 C ATOM 661 O PRO A 44 -3.081 -7.816 13.796 1.00 10.00 O ATOM 662 CB PRO A 44 -3.012 -8.593 10.322 1.00 10.00 C ATOM 663 CG PRO A 44 -2.169 -7.772 9.341 1.00 10.00 C ATOM 664 CD PRO A 44 -2.568 -6.314 9.587 1.00 10.00 C ATOM 0 HA PRO A 44 -4.422 -7.830 11.771 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -2.443 -9.432 10.723 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -3.892 -9.010 9.832 1.00 10.00 H new ATOM 0 HG2 PRO A 44 -1.104 -7.923 9.516 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -2.368 -8.066 8.310 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -1.687 -5.675 9.636 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -3.188 -5.940 8.773 1.00 10.00 H new ATOM 672 N GLY A 45 -1.228 -7.769 12.527 1.00 10.00 N ATOM 673 CA GLY A 45 -0.272 -7.838 13.622 1.00 10.00 C ATOM 674 C GLY A 45 0.832 -6.827 13.354 1.00 10.00 C ATOM 675 O GLY A 45 1.996 -7.189 13.208 1.00 10.00 O ATOM 0 H GLY A 45 -0.787 -7.747 11.608 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.764 -7.621 14.570 1.00 10.00 H new ATOM 0 HA3 GLY A 45 0.144 -8.843 13.701 1.00 10.00 H new ATOM 679 N PHE A 46 0.435 -5.558 13.244 1.00 10.00 N ATOM 680 CA PHE A 46 1.321 -4.427 13.018 1.00 10.00 C ATOM 681 C PHE A 46 0.915 -3.311 13.986 1.00 10.00 C ATOM 682 O PHE A 46 -0.138 -3.400 14.617 1.00 10.00 O ATOM 683 CB PHE A 46 1.190 -3.980 11.559 1.00 10.00 C ATOM 684 CG PHE A 46 2.047 -2.792 11.161 1.00 10.00 C ATOM 685 CD1 PHE A 46 3.449 -2.909 11.144 1.00 10.00 C ATOM 686 CD2 PHE A 46 1.444 -1.575 10.788 1.00 10.00 C ATOM 687 CE1 PHE A 46 4.243 -1.802 10.798 1.00 10.00 C ATOM 688 CE2 PHE A 46 2.239 -0.471 10.434 1.00 10.00 C ATOM 689 CZ PHE A 46 3.640 -0.578 10.462 1.00 10.00 C ATOM 0 H PHE A 46 -0.546 -5.286 13.313 1.00 10.00 H new ATOM 0 HA PHE A 46 2.363 -4.691 13.198 1.00 10.00 H new ATOM 0 HB2 PHE A 46 1.445 -4.822 10.915 1.00 10.00 H new ATOM 0 HB3 PHE A 46 0.146 -3.734 11.365 1.00 10.00 H new ATOM 0 HD1 PHE A 46 3.915 -3.850 11.397 1.00 10.00 H new ATOM 0 HD2 PHE A 46 0.367 -1.490 10.774 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.319 -1.892 10.790 1.00 10.00 H new ATOM 0 HE2 PHE A 46 1.774 0.458 10.141 1.00 10.00 H new ATOM 0 HZ PHE A 46 4.253 0.280 10.226 1.00 10.00 H new ATOM 699 N THR A 47 1.746 -2.277 14.108 1.00 10.00 N ATOM 700 CA THR A 47 1.594 -1.187 15.055 1.00 10.00 C ATOM 701 C THR A 47 1.078 0.051 14.309 1.00 10.00 C ATOM 702 O THR A 47 1.276 0.176 13.106 1.00 10.00 O ATOM 703 CB THR A 47 2.967 -0.957 15.705 1.00 10.00 C ATOM 704 OG1 THR A 47 3.892 -0.538 14.724 1.00 10.00 O ATOM 705 CG2 THR A 47 3.525 -2.258 16.299 1.00 10.00 C ATOM 0 H THR A 47 2.576 -2.177 13.523 1.00 10.00 H new ATOM 0 HA THR A 47 0.869 -1.412 15.838 1.00 10.00 H new ATOM 0 HB THR A 47 2.833 -0.209 16.486 1.00 10.00 H new ATOM 0 HG1 THR A 47 4.767 -0.390 15.141 1.00 10.00 H new ATOM 0 HG21 THR A 47 4.497 -2.064 16.752 1.00 10.00 H new ATOM 0 HG22 THR A 47 2.840 -2.634 17.058 1.00 10.00 H new ATOM 0 HG23 THR A 47 3.635 -3.001 15.509 1.00 10.00 H new ATOM 713 N TYR A 48 0.376 0.964 14.983 1.00 10.00 N ATOM 714 CA TYR A 48 -0.142 2.161 14.326 1.00 10.00 C ATOM 715 C TYR A 48 0.919 3.266 14.336 1.00 10.00 C ATOM 716 O TYR A 48 2.053 3.057 14.765 1.00 10.00 O ATOM 717 CB TYR A 48 -1.430 2.601 15.034 1.00 10.00 C ATOM 718 CG TYR A 48 -2.441 1.484 15.217 1.00 10.00 C ATOM 719 CD1 TYR A 48 -3.057 0.897 14.094 1.00 10.00 C ATOM 720 CD2 TYR A 48 -2.733 1.000 16.506 1.00 10.00 C ATOM 721 CE1 TYR A 48 -4.005 -0.128 14.267 1.00 10.00 C ATOM 722 CE2 TYR A 48 -3.679 -0.025 16.675 1.00 10.00 C ATOM 723 CZ TYR A 48 -4.307 -0.596 15.557 1.00 10.00 C ATOM 724 OH TYR A 48 -5.385 -1.405 15.750 1.00 10.00 O ATOM 0 H TYR A 48 0.155 0.897 15.977 1.00 10.00 H new ATOM 0 HA TYR A 48 -0.378 1.947 13.284 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.174 3.011 16.011 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -1.891 3.406 14.462 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -2.801 1.234 13.100 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -2.230 1.417 17.366 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -4.501 -0.555 13.408 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -3.924 -0.374 17.667 1.00 10.00 H new ATOM 0 HH TYR A 48 -5.452 -1.640 16.699 1.00 10.00 H new ATOM 734 N THR A 49 0.557 4.458 13.859 1.00 10.00 N ATOM 735 CA THR A 49 1.444 5.619 13.827 1.00 10.00 C ATOM 736 C THR A 49 0.615 6.905 13.961 1.00 10.00 C ATOM 737 O THR A 49 0.910 7.906 13.320 1.00 10.00 O ATOM 738 CB THR A 49 2.285 5.553 12.534 1.00 10.00 C ATOM 739 OG1 THR A 49 3.022 4.344 12.495 1.00 10.00 O ATOM 740 CG2 THR A 49 3.296 6.692 12.341 1.00 10.00 C ATOM 0 H THR A 49 -0.371 4.645 13.480 1.00 10.00 H new ATOM 0 HA THR A 49 2.138 5.619 14.667 1.00 10.00 H new ATOM 0 HB THR A 49 1.546 5.633 11.737 1.00 10.00 H new ATOM 0 HG1 THR A 49 3.551 4.310 11.671 1.00 10.00 H new ATOM 0 HG21 THR A 49 3.832 6.548 11.403 1.00 10.00 H new ATOM 0 HG22 THR A 49 2.769 7.646 12.315 1.00 10.00 H new ATOM 0 HG23 THR A 49 4.006 6.692 13.168 1.00 10.00 H new ATOM 748 N ASP A 50 -0.446 6.860 14.777 1.00 10.00 N ATOM 749 CA ASP A 50 -1.300 8.004 15.121 1.00 10.00 C ATOM 750 C ASP A 50 -1.624 8.879 13.902 1.00 10.00 C ATOM 751 O ASP A 50 -1.554 10.105 13.940 1.00 10.00 O ATOM 752 CB ASP A 50 -0.670 8.791 16.280 1.00 10.00 C ATOM 753 CG ASP A 50 -0.930 8.098 17.607 1.00 10.00 C ATOM 754 OD1 ASP A 50 -2.003 8.374 18.183 1.00 10.00 O ATOM 755 OD2 ASP A 50 -0.077 7.270 17.991 1.00 10.00 O ATOM 0 H ASP A 50 -0.744 5.997 15.231 1.00 10.00 H new ATOM 0 HA ASP A 50 -2.266 7.629 15.460 1.00 10.00 H new ATOM 0 HB2 ASP A 50 0.404 8.887 16.119 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -1.080 9.801 16.305 1.00 10.00 H new ATOM 760 N ALA A 51 -1.986 8.219 12.801 1.00 10.00 N ATOM 761 CA ALA A 51 -2.158 8.842 11.496 1.00 10.00 C ATOM 762 C ALA A 51 -2.863 7.858 10.574 1.00 10.00 C ATOM 763 O ALA A 51 -3.829 8.200 9.895 1.00 10.00 O ATOM 764 CB ALA A 51 -0.796 9.237 10.912 1.00 10.00 C ATOM 0 H ALA A 51 -2.171 7.216 12.796 1.00 10.00 H new ATOM 0 HA ALA A 51 -2.759 9.746 11.596 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -0.939 9.702 9.936 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.304 9.943 11.581 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.175 8.348 10.803 1.00 10.00 H new ATOM 770 N ASN A 52 -2.400 6.606 10.571 1.00 10.00 N ATOM 771 CA ASN A 52 -3.058 5.553 9.819 1.00 10.00 C ATOM 772 C ASN A 52 -4.519 5.426 10.223 1.00 10.00 C ATOM 773 O ASN A 52 -5.401 5.467 9.374 1.00 10.00 O ATOM 774 CB ASN A 52 -2.347 4.224 10.012 1.00 10.00 C ATOM 775 CG ASN A 52 -2.941 3.194 9.050 1.00 10.00 C ATOM 776 OD1 ASN A 52 -3.731 2.367 9.482 1.00 10.00 O ATOM 777 ND2 ASN A 52 -2.659 3.291 7.752 1.00 10.00 N ATOM 0 H ASN A 52 -1.571 6.304 11.083 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.012 5.823 8.764 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -1.279 4.339 9.827 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -2.458 3.884 11.042 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -3.107 2.664 7.084 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -1.995 3.993 7.425 1.00 10.00 H new ATOM 784 N LYS A 53 -4.782 5.332 11.528 1.00 10.00 N ATOM 785 CA LYS A 53 -6.146 5.220 12.021 1.00 10.00 C ATOM 786 C LYS A 53 -6.977 6.427 11.584 1.00 10.00 C ATOM 787 O LYS A 53 -8.154 6.292 11.261 1.00 10.00 O ATOM 788 CB LYS A 53 -6.170 5.079 13.553 1.00 10.00 C ATOM 789 CG LYS A 53 -7.118 3.949 13.989 1.00 10.00 C ATOM 790 CD LYS A 53 -6.326 2.670 14.313 1.00 10.00 C ATOM 791 CE LYS A 53 -6.185 2.485 15.828 1.00 10.00 C ATOM 792 NZ LYS A 53 -7.269 1.637 16.367 1.00 10.00 N ATOM 0 H LYS A 53 -4.068 5.332 12.256 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.586 4.320 11.590 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -5.164 4.875 13.919 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -6.488 6.019 14.003 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -7.687 4.262 14.864 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -7.838 3.746 13.197 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -6.831 1.805 13.882 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -5.338 2.723 13.855 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -5.219 2.032 16.053 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -6.203 3.458 16.319 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -7.147 1.529 17.394 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -8.188 2.083 16.172 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -7.235 0.701 15.915 1.00 10.00 H new ATOM 806 N ASN A 54 -6.346 7.605 11.577 1.00 10.00 N ATOM 807 CA ASN A 54 -6.976 8.852 11.175 1.00 10.00 C ATOM 808 C ASN A 54 -7.370 8.829 9.696 1.00 10.00 C ATOM 809 O ASN A 54 -8.219 9.607 9.275 1.00 10.00 O ATOM 810 CB ASN A 54 -6.032 10.027 11.469 1.00 10.00 C ATOM 811 CG ASN A 54 -6.811 11.283 11.838 1.00 10.00 C ATOM 812 OD1 ASN A 54 -6.900 12.229 11.064 1.00 10.00 O ATOM 813 ND2 ASN A 54 -7.365 11.306 13.049 1.00 10.00 N ATOM 0 H ASN A 54 -5.371 7.714 11.855 1.00 10.00 H new ATOM 0 HA ASN A 54 -7.892 8.977 11.752 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -5.359 9.761 12.284 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -5.411 10.225 10.595 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -7.883 12.129 13.357 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -7.271 10.501 13.668 1.00 10.00 H new ATOM 820 N LYS A 55 -6.749 7.944 8.908 1.00 10.00 N ATOM 821 CA LYS A 55 -7.042 7.778 7.497 1.00 10.00 C ATOM 822 C LYS A 55 -8.461 7.229 7.335 1.00 10.00 C ATOM 823 O LYS A 55 -9.295 7.868 6.704 1.00 10.00 O ATOM 824 CB LYS A 55 -5.960 6.894 6.871 1.00 10.00 C ATOM 825 CG LYS A 55 -5.735 7.217 5.393 1.00 10.00 C ATOM 826 CD LYS A 55 -4.454 6.587 4.830 1.00 10.00 C ATOM 827 CE LYS A 55 -3.141 7.341 5.109 1.00 10.00 C ATOM 828 NZ LYS A 55 -2.592 7.139 6.467 1.00 10.00 N ATOM 0 H LYS A 55 -6.019 7.318 9.247 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.020 8.730 6.967 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -5.025 7.025 7.416 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -6.244 5.847 6.973 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -6.590 6.866 4.816 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -5.688 8.299 5.266 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -4.362 5.579 5.235 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -4.568 6.487 3.751 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -2.395 7.027 4.379 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -3.309 8.407 4.954 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -1.573 7.349 6.464 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -3.075 7.774 7.135 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -2.741 6.152 6.759 1.00 10.00 H new ATOM 842 N GLY A 56 -8.736 6.061 7.924 1.00 10.00 N ATOM 843 CA GLY A 56 -10.083 5.524 8.061 1.00 10.00 C ATOM 844 C GLY A 56 -10.826 5.419 6.726 1.00 10.00 C ATOM 845 O GLY A 56 -11.878 6.022 6.538 1.00 10.00 O ATOM 0 H GLY A 56 -8.016 5.458 8.322 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.029 4.536 8.519 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -10.654 6.159 8.739 1.00 10.00 H new ATOM 849 N ILE A 57 -10.287 4.612 5.811 1.00 10.00 N ATOM 850 CA ILE A 57 -10.751 4.455 4.441 1.00 10.00 C ATOM 851 C ILE A 57 -10.504 3.014 4.022 1.00 10.00 C ATOM 852 O ILE A 57 -9.685 2.327 4.641 1.00 10.00 O ATOM 853 CB ILE A 57 -10.029 5.435 3.496 1.00 10.00 C ATOM 854 CG1 ILE A 57 -8.518 5.442 3.705 1.00 10.00 C ATOM 855 CG2 ILE A 57 -10.643 6.832 3.607 1.00 10.00 C ATOM 856 CD1 ILE A 57 -7.818 6.362 2.703 1.00 10.00 C ATOM 0 H ILE A 57 -9.479 4.026 6.019 1.00 10.00 H new ATOM 0 HA ILE A 57 -11.815 4.683 4.382 1.00 10.00 H new ATOM 0 HB ILE A 57 -10.179 5.085 2.475 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -8.291 5.768 4.720 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.131 4.428 3.602 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -10.122 7.513 2.934 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -11.698 6.789 3.335 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -10.547 7.191 4.632 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -6.743 6.343 2.881 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -8.024 6.020 1.689 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -8.188 7.380 2.824 1.00 10.00 H new ATOM 868 N THR A 58 -11.256 2.564 3.017 1.00 10.00 N ATOM 869 CA THR A 58 -11.229 1.217 2.490 1.00 10.00 C ATOM 870 C THR A 58 -10.203 1.138 1.367 1.00 10.00 C ATOM 871 O THR A 58 -9.956 2.126 0.680 1.00 10.00 O ATOM 872 CB THR A 58 -12.628 0.886 1.951 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.047 1.907 1.068 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.650 0.807 3.088 1.00 10.00 C ATOM 0 H THR A 58 -11.927 3.161 2.533 1.00 10.00 H new ATOM 0 HA THR A 58 -10.954 0.504 3.268 1.00 10.00 H new ATOM 0 HB THR A 58 -12.571 -0.076 1.442 1.00 10.00 H new ATOM 0 HG1 THR A 58 -13.939 1.695 0.723 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.632 0.571 2.679 1.00 10.00 H new ATOM 0 HG22 THR A 58 -13.353 0.028 3.790 1.00 10.00 H new ATOM 0 HG23 THR A 58 -13.693 1.765 3.606 1.00 10.00 H new ATOM 882 N TRP A 59 -9.657 -0.051 1.137 1.00 10.00 N ATOM 883 CA TRP A 59 -8.695 -0.288 0.081 1.00 10.00 C ATOM 884 C TRP A 59 -9.369 -1.144 -0.980 1.00 10.00 C ATOM 885 O TRP A 59 -9.525 -2.345 -0.793 1.00 10.00 O ATOM 886 CB TRP A 59 -7.495 -0.982 0.702 1.00 10.00 C ATOM 887 CG TRP A 59 -6.901 -0.220 1.843 1.00 10.00 C ATOM 888 CD1 TRP A 59 -7.047 -0.500 3.157 1.00 10.00 C ATOM 889 CD2 TRP A 59 -6.071 0.973 1.772 1.00 10.00 C ATOM 890 NE1 TRP A 59 -6.282 0.387 3.891 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.701 1.351 3.091 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.577 1.759 0.713 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.893 2.472 3.344 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -4.758 2.875 0.957 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.447 3.258 2.271 1.00 10.00 C ATOM 0 H TRP A 59 -9.876 -0.882 1.687 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.354 0.632 -0.393 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.795 -1.970 1.050 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.733 -1.131 -0.063 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -7.661 -1.288 3.567 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -6.161 0.336 4.903 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -5.832 1.500 -0.304 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.617 2.727 4.357 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.365 3.442 0.127 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -3.869 4.151 2.455 1.00 10.00 H new ATOM 906 N LYS A 60 -9.821 -0.526 -2.071 1.00 10.00 N ATOM 907 CA LYS A 60 -10.492 -1.249 -3.141 1.00 10.00 C ATOM 908 C LYS A 60 -10.024 -0.748 -4.498 1.00 10.00 C ATOM 909 O LYS A 60 -10.847 -0.521 -5.374 1.00 10.00 O ATOM 910 CB LYS A 60 -12.013 -1.147 -2.973 1.00 10.00 C ATOM 911 CG LYS A 60 -12.572 0.268 -3.240 1.00 10.00 C ATOM 912 CD LYS A 60 -13.631 0.264 -4.361 1.00 10.00 C ATOM 913 CE LYS A 60 -14.923 0.962 -3.919 1.00 10.00 C ATOM 914 NZ LYS A 60 -16.070 0.559 -4.756 1.00 10.00 N ATOM 0 H LYS A 60 -9.732 0.477 -2.233 1.00 10.00 H new ATOM 0 HA LYS A 60 -10.228 -2.305 -3.085 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -12.493 -1.852 -3.652 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -12.279 -1.448 -1.960 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -13.013 0.663 -2.325 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.755 0.936 -3.514 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -13.230 0.764 -5.243 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -13.852 -0.764 -4.650 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -15.130 0.721 -2.876 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -14.792 2.043 -3.976 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -16.927 1.049 -4.430 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -15.882 0.812 -5.747 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -16.210 -0.469 -4.682 1.00 10.00 H new ATOM 928 N GLU A 61 -8.723 -0.492 -4.631 1.00 10.00 N ATOM 929 CA GLU A 61 -8.108 0.135 -5.795 1.00 10.00 C ATOM 930 C GLU A 61 -8.321 1.645 -5.808 1.00 10.00 C ATOM 931 O GLU A 61 -7.391 2.361 -6.129 1.00 10.00 O ATOM 932 CB GLU A 61 -8.491 -0.546 -7.120 1.00 10.00 C ATOM 933 CG GLU A 61 -9.571 0.135 -7.981 1.00 10.00 C ATOM 934 CD GLU A 61 -10.271 -0.863 -8.898 1.00 10.00 C ATOM 935 OE1 GLU A 61 -9.649 -1.906 -9.202 1.00 10.00 O ATOM 936 OE2 GLU A 61 -11.438 -0.586 -9.246 1.00 10.00 O ATOM 0 H GLU A 61 -8.046 -0.725 -3.904 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.033 -0.021 -5.700 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -7.588 -0.639 -7.724 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.829 -1.557 -6.894 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.306 0.612 -7.333 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -9.116 0.923 -8.581 1.00 10.00 H new ATOM 943 N GLU A 62 -9.509 2.130 -5.442 1.00 10.00 N ATOM 944 CA GLU A 62 -9.887 3.536 -5.544 1.00 10.00 C ATOM 945 C GLU A 62 -8.971 4.431 -4.708 1.00 10.00 C ATOM 946 O GLU A 62 -8.096 5.107 -5.244 1.00 10.00 O ATOM 947 CB GLU A 62 -11.368 3.634 -5.144 1.00 10.00 C ATOM 948 CG GLU A 62 -12.000 5.001 -5.414 1.00 10.00 C ATOM 949 CD GLU A 62 -13.412 4.808 -5.954 1.00 10.00 C ATOM 950 OE1 GLU A 62 -13.514 4.521 -7.165 1.00 10.00 O ATOM 951 OE2 GLU A 62 -14.353 4.849 -5.133 1.00 10.00 O ATOM 0 H GLU A 62 -10.249 1.542 -5.059 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.764 3.902 -6.564 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.930 2.873 -5.685 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.462 3.406 -4.082 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -12.027 5.589 -4.497 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -11.397 5.557 -6.132 1.00 10.00 H new ATOM 958 N THR A 63 -9.117 4.379 -3.381 1.00 10.00 N ATOM 959 CA THR A 63 -8.218 5.073 -2.473 1.00 10.00 C ATOM 960 C THR A 63 -6.763 4.814 -2.872 1.00 10.00 C ATOM 961 O THR A 63 -5.963 5.735 -2.865 1.00 10.00 O ATOM 962 CB THR A 63 -8.529 4.652 -1.024 1.00 10.00 C ATOM 963 OG1 THR A 63 -9.499 5.515 -0.465 1.00 10.00 O ATOM 964 CG2 THR A 63 -7.301 4.625 -0.116 1.00 10.00 C ATOM 0 H THR A 63 -9.859 3.857 -2.915 1.00 10.00 H new ATOM 0 HA THR A 63 -8.371 6.150 -2.538 1.00 10.00 H new ATOM 0 HB THR A 63 -8.906 3.631 -1.082 1.00 10.00 H new ATOM 0 HG1 THR A 63 -9.923 5.077 0.303 1.00 10.00 H new ATOM 0 HG21 THR A 63 -7.597 4.320 0.888 1.00 10.00 H new ATOM 0 HG22 THR A 63 -6.572 3.917 -0.510 1.00 10.00 H new ATOM 0 HG23 THR A 63 -6.856 5.619 -0.076 1.00 10.00 H new ATOM 972 N LEU A 64 -6.410 3.573 -3.217 1.00 10.00 N ATOM 973 CA LEU A 64 -5.052 3.188 -3.587 1.00 10.00 C ATOM 974 C LEU A 64 -4.531 3.990 -4.783 1.00 10.00 C ATOM 975 O LEU A 64 -3.446 4.562 -4.712 1.00 10.00 O ATOM 976 CB LEU A 64 -5.014 1.675 -3.854 1.00 10.00 C ATOM 977 CG LEU A 64 -4.192 0.904 -2.820 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.845 -0.446 -2.510 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.746 0.718 -3.305 1.00 10.00 C ATOM 0 H LEU A 64 -7.072 2.798 -3.247 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.383 3.421 -2.758 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -6.033 1.288 -3.862 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -4.598 1.497 -4.846 1.00 10.00 H new ATOM 0 HG LEU A 64 -4.165 1.486 -1.899 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -4.245 -0.979 -1.772 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -5.847 -0.283 -2.114 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -4.908 -1.038 -3.423 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -2.179 0.167 -2.555 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -2.745 0.161 -4.242 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -2.287 1.694 -3.463 1.00 10.00 H new ATOM 991 N MET A 65 -5.299 4.038 -5.871 1.00 10.00 N ATOM 992 CA MET A 65 -5.013 4.797 -7.072 1.00 10.00 C ATOM 993 C MET A 65 -4.586 6.212 -6.697 1.00 10.00 C ATOM 994 O MET A 65 -3.594 6.697 -7.228 1.00 10.00 O ATOM 995 CB MET A 65 -6.232 4.758 -8.025 1.00 10.00 C ATOM 996 CG MET A 65 -6.166 3.564 -8.994 1.00 10.00 C ATOM 997 SD MET A 65 -6.485 3.904 -10.752 1.00 10.00 S ATOM 998 CE MET A 65 -8.291 3.935 -10.806 1.00 10.00 C ATOM 0 H MET A 65 -6.177 3.522 -5.935 1.00 10.00 H new ATOM 0 HA MET A 65 -4.180 4.349 -7.614 1.00 10.00 H new ATOM 0 HB2 MET A 65 -7.149 4.699 -7.439 1.00 10.00 H new ATOM 0 HB3 MET A 65 -6.277 5.686 -8.595 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.176 3.115 -8.911 1.00 10.00 H new ATOM 0 HG3 MET A 65 -6.884 2.816 -8.658 1.00 10.00 H new ATOM 0 HE1 MET A 65 -8.621 4.134 -11.826 1.00 10.00 H new ATOM 0 HE2 MET A 65 -8.681 2.971 -10.480 1.00 10.00 H new ATOM 0 HE3 MET A 65 -8.661 4.719 -10.145 1.00 10.00 H new ATOM 1008 N GLU A 66 -5.261 6.839 -5.735 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.915 8.181 -5.308 1.00 10.00 C ATOM 1010 C GLU A 66 -3.718 8.126 -4.358 1.00 10.00 C ATOM 1011 O GLU A 66 -2.723 8.792 -4.583 1.00 10.00 O ATOM 1012 CB GLU A 66 -6.161 8.832 -4.705 1.00 10.00 C ATOM 1013 CG GLU A 66 -7.052 9.395 -5.820 1.00 10.00 C ATOM 1014 CD GLU A 66 -8.512 9.454 -5.390 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -9.089 8.362 -5.208 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -9.015 10.588 -5.239 1.00 10.00 O ATOM 0 H GLU A 66 -6.053 6.431 -5.238 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.601 8.804 -6.146 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.717 8.100 -4.119 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -5.870 9.631 -4.023 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -6.711 10.394 -6.091 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -6.959 8.774 -6.711 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.777 7.311 -3.311 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.750 7.165 -2.291 1.00 10.00 C ATOM 1025 C TYR A 67 -1.363 7.004 -2.901 1.00 10.00 C ATOM 1026 O TYR A 67 -0.432 7.743 -2.580 1.00 10.00 O ATOM 1027 CB TYR A 67 -3.113 5.962 -1.406 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.327 5.839 -0.110 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -2.177 6.960 0.724 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.769 4.607 0.287 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.432 6.875 1.909 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -1.093 4.501 1.516 1.00 10.00 C ATOM 1033 CZ TYR A 67 -0.924 5.637 2.327 1.00 10.00 C ATOM 1034 OH TYR A 67 -0.295 5.544 3.533 1.00 10.00 O ATOM 0 H TYR A 67 -4.581 6.706 -3.144 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.713 8.071 -1.686 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -4.174 6.020 -1.163 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.968 5.050 -1.986 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -2.640 7.896 0.450 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.861 3.743 -0.354 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.250 7.761 2.498 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.703 3.546 1.837 1.00 10.00 H new ATOM 0 HH TYR A 67 -0.001 4.620 3.678 1.00 10.00 H new ATOM 1044 N LEU A 68 -1.225 6.030 -3.797 1.00 10.00 N ATOM 1045 CA LEU A 68 0.028 5.805 -4.480 1.00 10.00 C ATOM 1046 C LEU A 68 0.322 6.977 -5.423 1.00 10.00 C ATOM 1047 O LEU A 68 1.484 7.363 -5.569 1.00 10.00 O ATOM 1048 CB LEU A 68 0.010 4.461 -5.219 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.421 3.257 -4.364 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -0.177 1.975 -5.168 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.257 3.209 -2.989 1.00 10.00 C ATOM 0 H LEU A 68 -1.972 5.388 -4.061 1.00 10.00 H new ATOM 0 HA LEU A 68 0.834 5.753 -3.748 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.663 4.541 -6.073 1.00 10.00 H new ATOM 0 HB3 LEU A 68 1.007 4.268 -5.616 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.483 3.359 -4.142 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.478 1.111 -4.575 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -0.761 2.005 -6.088 1.00 10.00 H new ATOM 0 HD13 LEU A 68 0.882 1.896 -5.414 1.00 10.00 H new ATOM 0 HD21 LEU A 68 -0.094 2.335 -2.441 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.338 3.147 -3.118 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.010 4.111 -2.430 1.00 10.00 H new ATOM 1063 N GLU A 69 -0.693 7.519 -6.108 1.00 10.00 N ATOM 1064 CA GLU A 69 -0.575 8.660 -7.017 1.00 10.00 C ATOM 1065 C GLU A 69 -0.806 9.984 -6.299 1.00 10.00 C ATOM 1066 O GLU A 69 -1.404 10.890 -6.859 1.00 10.00 O ATOM 1067 CB GLU A 69 -1.526 8.460 -8.213 1.00 10.00 C ATOM 1068 CG GLU A 69 -1.090 9.122 -9.530 1.00 10.00 C ATOM 1069 CD GLU A 69 -1.655 10.518 -9.748 1.00 10.00 C ATOM 1070 OE1 GLU A 69 -2.894 10.618 -9.866 1.00 10.00 O ATOM 1071 OE2 GLU A 69 -0.817 11.438 -9.865 1.00 10.00 O ATOM 0 H GLU A 69 -1.646 7.163 -6.041 1.00 10.00 H new ATOM 0 HA GLU A 69 0.445 8.709 -7.397 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.642 7.390 -8.387 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -2.508 8.847 -7.941 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -0.002 9.176 -9.553 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -1.395 8.486 -10.361 1.00 10.00 H new ATOM 1078 N ASN A 70 -0.310 10.103 -5.066 1.00 10.00 N ATOM 1079 CA ASN A 70 -0.450 11.274 -4.209 1.00 10.00 C ATOM 1080 C ASN A 70 -0.085 10.850 -2.781 1.00 10.00 C ATOM 1081 O ASN A 70 -0.924 10.873 -1.879 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.870 11.881 -4.293 1.00 10.00 C ATOM 1083 CG ASN A 70 -1.965 13.135 -5.160 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -1.284 14.123 -4.901 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -2.839 13.121 -6.161 1.00 10.00 N ATOM 0 H ASN A 70 0.221 9.354 -4.622 1.00 10.00 H new ATOM 0 HA ASN A 70 0.222 12.065 -4.542 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -2.552 11.128 -4.687 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -2.210 12.123 -3.286 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -2.961 13.950 -6.743 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -3.388 12.282 -6.347 1.00 10.00 H new ATOM 1092 N PRO A 71 1.192 10.510 -2.529 1.00 10.00 N ATOM 1093 CA PRO A 71 1.635 10.182 -1.186 1.00 10.00 C ATOM 1094 C PRO A 71 1.668 11.417 -0.278 1.00 10.00 C ATOM 1095 O PRO A 71 1.969 11.276 0.905 1.00 10.00 O ATOM 1096 CB PRO A 71 3.018 9.542 -1.342 1.00 10.00 C ATOM 1097 CG PRO A 71 3.532 9.996 -2.712 1.00 10.00 C ATOM 1098 CD PRO A 71 2.298 10.483 -3.477 1.00 10.00 C ATOM 0 HA PRO A 71 0.942 9.495 -0.700 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.690 9.862 -0.546 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.955 8.455 -1.288 1.00 10.00 H new ATOM 0 HG2 PRO A 71 4.269 10.793 -2.609 1.00 10.00 H new ATOM 0 HG3 PRO A 71 4.021 9.176 -3.238 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.471 11.474 -3.896 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.074 9.818 -4.311 1.00 10.00 H new ATOM 1106 N LYS A 72 1.401 12.619 -0.815 1.00 10.00 N ATOM 1107 CA LYS A 72 1.354 13.854 -0.053 1.00 10.00 C ATOM 1108 C LYS A 72 -0.030 14.504 -0.194 1.00 10.00 C ATOM 1109 O LYS A 72 -0.154 15.585 -0.765 1.00 10.00 O ATOM 1110 CB LYS A 72 2.430 14.842 -0.552 1.00 10.00 C ATOM 1111 CG LYS A 72 3.895 14.420 -0.392 1.00 10.00 C ATOM 1112 CD LYS A 72 4.325 13.316 -1.369 1.00 10.00 C ATOM 1113 CE LYS A 72 5.832 13.353 -1.685 1.00 10.00 C ATOM 1114 NZ LYS A 72 6.133 14.060 -2.948 1.00 10.00 N ATOM 0 H LYS A 72 1.210 12.750 -1.808 1.00 10.00 H new ATOM 0 HA LYS A 72 1.545 13.617 0.994 1.00 10.00 H new ATOM 0 HB2 LYS A 72 2.247 15.035 -1.609 1.00 10.00 H new ATOM 0 HB3 LYS A 72 2.291 15.787 -0.027 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.534 15.291 -0.537 1.00 10.00 H new ATOM 0 HG3 LYS A 72 4.056 14.073 0.629 1.00 10.00 H new ATOM 0 HD2 LYS A 72 4.071 12.344 -0.947 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.761 13.418 -2.296 1.00 10.00 H new ATOM 0 HE2 LYS A 72 6.359 13.842 -0.865 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.212 12.333 -1.745 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.160 14.055 -3.112 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 5.654 13.581 -3.737 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 5.797 15.042 -2.885 1.00 10.00 H new ATOM 1128 N LYS A 73 -1.076 13.855 0.319 1.00 10.00 N ATOM 1129 CA LYS A 73 -2.441 14.375 0.261 1.00 10.00 C ATOM 1130 C LYS A 73 -3.290 13.635 1.291 1.00 10.00 C ATOM 1131 O LYS A 73 -3.856 14.246 2.197 1.00 10.00 O ATOM 1132 CB LYS A 73 -3.005 14.238 -1.169 1.00 10.00 C ATOM 1133 CG LYS A 73 -3.229 15.594 -1.851 1.00 10.00 C ATOM 1134 CD LYS A 73 -4.543 16.232 -1.378 1.00 10.00 C ATOM 1135 CE LYS A 73 -4.580 17.722 -1.745 1.00 10.00 C ATOM 1136 NZ LYS A 73 -5.847 18.362 -1.332 1.00 10.00 N ATOM 0 H LYS A 73 -0.999 12.952 0.787 1.00 10.00 H new ATOM 0 HA LYS A 73 -2.455 15.438 0.503 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -2.318 13.643 -1.770 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -3.949 13.694 -1.132 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -2.395 16.260 -1.629 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -3.252 15.463 -2.933 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -5.389 15.718 -1.835 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -4.643 16.115 -0.299 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -3.743 18.234 -1.269 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -4.451 17.834 -2.822 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -5.831 19.367 -1.598 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -6.644 17.891 -1.805 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -5.958 18.279 -0.301 1.00 10.00 H new ATOM 1150 N TYR A 74 -3.341 12.308 1.175 1.00 10.00 N ATOM 1151 CA TYR A 74 -3.996 11.455 2.156 1.00 10.00 C ATOM 1152 C TYR A 74 -3.205 11.455 3.468 1.00 10.00 C ATOM 1153 O TYR A 74 -2.460 10.520 3.750 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.154 10.038 1.587 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.441 9.782 0.828 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -6.678 9.881 1.495 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -5.400 9.268 -0.479 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -7.870 9.544 0.830 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -6.579 8.820 -1.093 1.00 10.00 C ATOM 1160 CZ TYR A 74 -7.819 9.009 -0.467 1.00 10.00 C ATOM 1161 OH TYR A 74 -8.964 8.681 -1.127 1.00 10.00 O ATOM 0 H TYR A 74 -2.927 11.797 0.395 1.00 10.00 H new ATOM 0 HA TYR A 74 -4.991 11.843 2.373 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.314 9.836 0.923 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.089 9.325 2.409 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -6.711 10.217 2.521 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -4.461 9.218 -1.011 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -8.823 9.696 1.316 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -6.531 8.327 -2.053 1.00 10.00 H new ATOM 0 HH TYR A 74 -9.184 7.742 -0.953 1.00 10.00 H new ATOM 1171 N ILE A 75 -3.415 12.497 4.278 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.901 12.640 5.636 1.00 10.00 C ATOM 1173 C ILE A 75 -1.368 12.795 5.583 1.00 10.00 C ATOM 1174 O ILE A 75 -0.636 11.811 5.688 1.00 10.00 O ATOM 1175 CB ILE A 75 -3.417 11.516 6.575 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -4.951 11.545 6.751 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -2.809 11.643 7.980 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -5.753 11.168 5.501 1.00 10.00 C ATOM 0 H ILE A 75 -3.974 13.299 3.988 1.00 10.00 H new ATOM 0 HA ILE A 75 -3.292 13.550 6.091 1.00 10.00 H new ATOM 0 HB ILE A 75 -3.117 10.584 6.096 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -5.222 10.864 7.558 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -5.247 12.546 7.066 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -3.189 10.842 8.615 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -1.723 11.570 7.915 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -3.083 12.607 8.409 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -6.819 11.218 5.724 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -5.518 11.863 4.695 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -5.493 10.155 5.194 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.859 14.029 5.407 1.00 10.00 N ATOM 1191 CA PRO A 76 0.567 14.302 5.304 1.00 10.00 C ATOM 1192 C PRO A 76 1.290 14.130 6.644 1.00 10.00 C ATOM 1193 O PRO A 76 1.693 15.099 7.281 1.00 10.00 O ATOM 1194 CB PRO A 76 0.688 15.684 4.656 1.00 10.00 C ATOM 1195 CG PRO A 76 -0.633 16.380 4.978 1.00 10.00 C ATOM 1196 CD PRO A 76 -1.634 15.247 5.218 1.00 10.00 C ATOM 0 HA PRO A 76 1.083 13.576 4.676 1.00 10.00 H new ATOM 0 HB2 PRO A 76 1.536 16.238 5.059 1.00 10.00 H new ATOM 0 HB3 PRO A 76 0.842 15.605 3.580 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -0.539 17.016 5.858 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -0.952 17.020 4.155 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -2.248 15.454 6.095 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -2.312 15.145 4.371 1.00 10.00 H new ATOM 1204 N GLY A 77 1.500 12.868 7.030 1.00 10.00 N ATOM 1205 CA GLY A 77 2.313 12.455 8.167 1.00 10.00 C ATOM 1206 C GLY A 77 2.346 10.930 8.209 1.00 10.00 C ATOM 1207 O GLY A 77 1.818 10.319 9.133 1.00 10.00 O ATOM 0 H GLY A 77 1.089 12.077 6.535 1.00 10.00 H new ATOM 0 HA2 GLY A 77 3.323 12.853 8.075 1.00 10.00 H new ATOM 0 HA3 GLY A 77 1.897 12.851 9.094 1.00 10.00 H new ATOM 1211 N THR A 78 2.923 10.300 7.180 1.00 10.00 N ATOM 1212 CA THR A 78 3.059 8.848 7.117 1.00 10.00 C ATOM 1213 C THR A 78 4.512 8.482 6.796 1.00 10.00 C ATOM 1214 O THR A 78 5.251 8.081 7.695 1.00 10.00 O ATOM 1215 CB THR A 78 1.975 8.257 6.186 1.00 10.00 C ATOM 1216 OG1 THR A 78 0.719 8.812 6.530 1.00 10.00 O ATOM 1217 CG2 THR A 78 1.819 6.739 6.311 1.00 10.00 C ATOM 0 H THR A 78 3.307 10.786 6.370 1.00 10.00 H new ATOM 0 HA THR A 78 2.866 8.379 8.082 1.00 10.00 H new ATOM 0 HB THR A 78 2.291 8.495 5.170 1.00 10.00 H new ATOM 0 HG1 THR A 78 0.026 8.443 5.943 1.00 10.00 H new ATOM 0 HG21 THR A 78 1.041 6.396 5.629 1.00 10.00 H new ATOM 0 HG22 THR A 78 2.762 6.254 6.059 1.00 10.00 H new ATOM 0 HG23 THR A 78 1.542 6.485 7.334 1.00 10.00 H new ATOM 1225 N LYS A 79 4.927 8.599 5.533 1.00 10.00 N ATOM 1226 CA LYS A 79 6.290 8.341 5.074 1.00 10.00 C ATOM 1227 C LYS A 79 6.342 8.731 3.605 1.00 10.00 C ATOM 1228 O LYS A 79 6.130 7.909 2.715 1.00 10.00 O ATOM 1229 CB LYS A 79 6.733 6.885 5.298 1.00 10.00 C ATOM 1230 CG LYS A 79 5.817 5.853 4.621 1.00 10.00 C ATOM 1231 CD LYS A 79 5.574 4.605 5.481 1.00 10.00 C ATOM 1232 CE LYS A 79 4.953 4.954 6.846 1.00 10.00 C ATOM 1233 NZ LYS A 79 5.901 4.912 7.982 1.00 10.00 N ATOM 0 H LYS A 79 4.303 8.885 4.779 1.00 10.00 H new ATOM 0 HA LYS A 79 6.994 8.933 5.658 1.00 10.00 H new ATOM 0 HB2 LYS A 79 7.748 6.761 4.921 1.00 10.00 H new ATOM 0 HB3 LYS A 79 6.764 6.684 6.369 1.00 10.00 H new ATOM 0 HG2 LYS A 79 4.860 6.321 4.392 1.00 10.00 H new ATOM 0 HG3 LYS A 79 6.259 5.552 3.671 1.00 10.00 H new ATOM 0 HD2 LYS A 79 4.914 3.921 4.948 1.00 10.00 H new ATOM 0 HD3 LYS A 79 6.518 4.082 5.636 1.00 10.00 H new ATOM 0 HE2 LYS A 79 4.519 5.952 6.789 1.00 10.00 H new ATOM 0 HE3 LYS A 79 4.135 4.262 7.046 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 5.763 4.031 8.517 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 6.876 4.950 7.622 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 5.731 5.726 8.607 1.00 10.00 H new ATOM 1247 N MET A 80 6.540 10.020 3.355 1.00 10.00 N ATOM 1248 CA MET A 80 6.597 10.507 1.996 1.00 10.00 C ATOM 1249 C MET A 80 7.829 9.896 1.353 1.00 10.00 C ATOM 1250 O MET A 80 8.900 9.923 1.960 1.00 10.00 O ATOM 1251 CB MET A 80 6.710 12.031 1.986 1.00 10.00 C ATOM 1252 CG MET A 80 5.550 12.689 2.732 1.00 10.00 C ATOM 1253 SD MET A 80 5.803 14.453 3.028 1.00 10.00 S ATOM 1254 CE MET A 80 5.075 14.560 4.677 1.00 10.00 C ATOM 0 H MET A 80 6.662 10.735 4.072 1.00 10.00 H new ATOM 0 HA MET A 80 5.694 10.232 1.451 1.00 10.00 H new ATOM 0 HB2 MET A 80 7.653 12.329 2.444 1.00 10.00 H new ATOM 0 HB3 MET A 80 6.729 12.388 0.956 1.00 10.00 H new ATOM 0 HG2 MET A 80 4.633 12.551 2.159 1.00 10.00 H new ATOM 0 HG3 MET A 80 5.408 12.184 3.687 1.00 10.00 H new ATOM 0 HE1 MET A 80 5.137 15.587 5.036 1.00 10.00 H new ATOM 0 HE2 MET A 80 4.030 14.253 4.634 1.00 10.00 H new ATOM 0 HE3 MET A 80 5.618 13.904 5.358 1.00 10.00 H new ATOM 1264 N ILE A 81 7.670 9.340 0.153 1.00 10.00 N ATOM 1265 CA ILE A 81 8.780 8.780 -0.587 1.00 10.00 C ATOM 1266 C ILE A 81 8.970 9.498 -1.923 1.00 10.00 C ATOM 1267 O ILE A 81 8.495 10.624 -2.087 1.00 10.00 O ATOM 1268 CB ILE A 81 8.661 7.232 -0.661 1.00 10.00 C ATOM 1269 CG1 ILE A 81 7.263 6.802 -1.147 1.00 10.00 C ATOM 1270 CG2 ILE A 81 8.982 6.564 0.683 1.00 10.00 C ATOM 1271 CD1 ILE A 81 7.185 5.312 -1.507 1.00 10.00 C ATOM 0 H ILE A 81 6.771 9.269 -0.324 1.00 10.00 H new ATOM 0 HA ILE A 81 9.714 8.961 -0.055 1.00 10.00 H new ATOM 0 HB ILE A 81 9.402 6.896 -1.386 1.00 10.00 H new ATOM 0 HG12 ILE A 81 6.531 7.021 -0.370 1.00 10.00 H new ATOM 0 HG13 ILE A 81 6.989 7.396 -2.019 1.00 10.00 H new ATOM 0 HG21 ILE A 81 8.886 5.483 0.584 1.00 10.00 H new ATOM 0 HG22 ILE A 81 10.001 6.812 0.978 1.00 10.00 H new ATOM 0 HG23 ILE A 81 8.287 6.922 1.442 1.00 10.00 H new ATOM 0 HD11 ILE A 81 6.176 5.071 -1.842 1.00 10.00 H new ATOM 0 HD12 ILE A 81 7.894 5.093 -2.305 1.00 10.00 H new ATOM 0 HD13 ILE A 81 7.429 4.713 -0.630 1.00 10.00 H new ATOM 1283 N PHE A 82 9.704 8.863 -2.845 1.00 10.00 N ATOM 1284 CA PHE A 82 9.881 9.286 -4.226 1.00 10.00 C ATOM 1285 C PHE A 82 8.558 9.718 -4.875 1.00 10.00 C ATOM 1286 O PHE A 82 7.481 9.460 -4.340 1.00 10.00 O ATOM 1287 CB PHE A 82 10.554 8.152 -5.028 1.00 10.00 C ATOM 1288 CG PHE A 82 9.665 7.003 -5.499 1.00 10.00 C ATOM 1289 CD1 PHE A 82 8.539 6.585 -4.760 1.00 10.00 C ATOM 1290 CD2 PHE A 82 9.958 6.359 -6.717 1.00 10.00 C ATOM 1291 CE1 PHE A 82 7.674 5.602 -5.269 1.00 10.00 C ATOM 1292 CE2 PHE A 82 9.117 5.343 -7.205 1.00 10.00 C ATOM 1293 CZ PHE A 82 7.970 4.969 -6.485 1.00 10.00 C ATOM 0 H PHE A 82 10.210 8.003 -2.632 1.00 10.00 H new ATOM 0 HA PHE A 82 10.527 10.164 -4.234 1.00 10.00 H new ATOM 0 HB2 PHE A 82 11.027 8.594 -5.905 1.00 10.00 H new ATOM 0 HB3 PHE A 82 11.351 7.732 -4.414 1.00 10.00 H new ATOM 0 HD1 PHE A 82 8.340 7.025 -3.794 1.00 10.00 H new ATOM 0 HD2 PHE A 82 10.834 6.647 -7.279 1.00 10.00 H new ATOM 0 HE1 PHE A 82 6.781 5.334 -4.724 1.00 10.00 H new ATOM 0 HE2 PHE A 82 9.353 4.849 -8.136 1.00 10.00 H new ATOM 0 HZ PHE A 82 7.319 4.197 -6.867 1.00 10.00 H new ATOM 1303 N ALA A 83 8.654 10.353 -6.048 1.00 10.00 N ATOM 1304 CA ALA A 83 7.520 10.834 -6.831 1.00 10.00 C ATOM 1305 C ALA A 83 6.301 9.911 -6.733 1.00 10.00 C ATOM 1306 O ALA A 83 5.239 10.321 -6.267 1.00 10.00 O ATOM 1307 CB ALA A 83 7.958 11.001 -8.289 1.00 10.00 C ATOM 0 H ALA A 83 9.552 10.550 -6.489 1.00 10.00 H new ATOM 0 HA ALA A 83 7.208 11.794 -6.421 1.00 10.00 H new ATOM 0 HB1 ALA A 83 7.117 11.360 -8.883 1.00 10.00 H new ATOM 0 HB2 ALA A 83 8.775 11.721 -8.343 1.00 10.00 H new ATOM 0 HB3 ALA A 83 8.294 10.041 -8.680 1.00 10.00 H new ATOM 1313 N GLY A 84 6.458 8.668 -7.184 1.00 10.00 N ATOM 1314 CA GLY A 84 5.416 7.667 -7.185 1.00 10.00 C ATOM 1315 C GLY A 84 5.762 6.659 -8.270 1.00 10.00 C ATOM 1316 O GLY A 84 6.876 6.683 -8.785 1.00 10.00 O ATOM 0 H GLY A 84 7.341 8.329 -7.567 1.00 10.00 H new ATOM 0 HA2 GLY A 84 5.351 7.179 -6.213 1.00 10.00 H new ATOM 0 HA3 GLY A 84 4.445 8.123 -7.379 1.00 10.00 H new ATOM 1320 N ILE A 85 4.805 5.798 -8.620 1.00 10.00 N ATOM 1321 CA ILE A 85 4.969 4.747 -9.611 1.00 10.00 C ATOM 1322 C ILE A 85 5.400 5.340 -10.952 1.00 10.00 C ATOM 1323 O ILE A 85 6.593 5.419 -11.224 1.00 10.00 O ATOM 1324 CB ILE A 85 3.677 3.915 -9.658 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.520 3.095 -8.392 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.504 3.005 -10.878 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.519 1.963 -8.272 1.00 10.00 C ATOM 0 H ILE A 85 3.872 5.818 -8.208 1.00 10.00 H new ATOM 0 HA ILE A 85 5.774 4.064 -9.340 1.00 10.00 H new ATOM 0 HB ILE A 85 2.890 4.664 -9.745 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.624 3.752 -7.529 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.511 2.683 -8.359 1.00 10.00 H new ATOM 0 HG21 ILE A 85 2.558 2.469 -10.801 1.00 10.00 H new ATOM 0 HG22 ILE A 85 3.506 3.609 -11.785 1.00 10.00 H new ATOM 0 HG23 ILE A 85 4.325 2.289 -10.917 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.345 1.421 -7.342 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.401 1.283 -9.116 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.531 2.369 -8.272 1.00 10.00 H new ATOM 1339 N LYS A 86 4.439 5.713 -11.801 1.00 10.00 N ATOM 1340 CA LYS A 86 4.672 6.303 -13.105 1.00 10.00 C ATOM 1341 C LYS A 86 3.534 7.248 -13.491 1.00 10.00 C ATOM 1342 O LYS A 86 3.768 8.417 -13.773 1.00 10.00 O ATOM 1343 CB LYS A 86 4.798 5.210 -14.165 1.00 10.00 C ATOM 1344 CG LYS A 86 5.856 4.159 -13.829 1.00 10.00 C ATOM 1345 CD LYS A 86 6.301 3.524 -15.160 1.00 10.00 C ATOM 1346 CE LYS A 86 7.813 3.578 -15.429 1.00 10.00 C ATOM 1347 NZ LYS A 86 8.544 2.480 -14.767 1.00 10.00 N ATOM 0 H LYS A 86 3.448 5.606 -11.585 1.00 10.00 H new ATOM 0 HA LYS A 86 5.600 6.872 -13.052 1.00 10.00 H new ATOM 0 HB2 LYS A 86 3.833 4.718 -14.286 1.00 10.00 H new ATOM 0 HB3 LYS A 86 5.044 5.669 -15.123 1.00 10.00 H new ATOM 0 HG2 LYS A 86 6.703 4.615 -13.317 1.00 10.00 H new ATOM 0 HG3 LYS A 86 5.448 3.403 -13.158 1.00 10.00 H new ATOM 0 HD2 LYS A 86 5.981 2.482 -15.173 1.00 10.00 H new ATOM 0 HD3 LYS A 86 5.783 4.027 -15.977 1.00 10.00 H new ATOM 0 HE2 LYS A 86 7.990 3.532 -16.504 1.00 10.00 H new ATOM 0 HE3 LYS A 86 8.207 4.533 -15.082 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 9.357 2.201 -15.353 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 8.881 2.799 -13.836 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 7.910 1.665 -14.645 1.00 10.00 H new ATOM 1361 N LYS A 87 2.308 6.718 -13.557 1.00 10.00 N ATOM 1362 CA LYS A 87 1.127 7.440 -14.012 1.00 10.00 C ATOM 1363 C LYS A 87 -0.126 6.690 -13.574 1.00 10.00 C ATOM 1364 O LYS A 87 -0.356 6.588 -12.377 1.00 10.00 O ATOM 1365 CB LYS A 87 1.191 7.701 -15.521 1.00 10.00 C ATOM 1366 CG LYS A 87 1.452 6.450 -16.377 1.00 10.00 C ATOM 1367 CD LYS A 87 2.751 6.587 -17.169 1.00 10.00 C ATOM 1368 CE LYS A 87 2.678 7.776 -18.142 1.00 10.00 C ATOM 1369 NZ LYS A 87 3.502 7.568 -19.351 1.00 10.00 N ATOM 0 H LYS A 87 2.111 5.754 -13.289 1.00 10.00 H new ATOM 0 HA LYS A 87 1.090 8.426 -13.548 1.00 10.00 H new ATOM 0 HB2 LYS A 87 0.251 8.153 -15.838 1.00 10.00 H new ATOM 0 HB3 LYS A 87 1.977 8.430 -15.717 1.00 10.00 H new ATOM 0 HG2 LYS A 87 1.505 5.571 -15.735 1.00 10.00 H new ATOM 0 HG3 LYS A 87 0.619 6.294 -17.063 1.00 10.00 H new ATOM 0 HD2 LYS A 87 3.587 6.724 -16.483 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.942 5.669 -17.724 1.00 10.00 H new ATOM 0 HE2 LYS A 87 1.641 7.938 -18.436 1.00 10.00 H new ATOM 0 HE3 LYS A 87 3.009 8.680 -17.631 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 3.419 8.396 -19.974 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 4.497 7.440 -19.075 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 3.171 6.721 -19.855 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.891 6.134 -14.518 1.00 10.00 N ATOM 1384 CA LYS A 88 -2.078 5.339 -14.249 1.00 10.00 C ATOM 1385 C LYS A 88 -1.844 3.877 -14.638 1.00 10.00 C ATOM 1386 O LYS A 88 -2.237 2.972 -13.914 1.00 10.00 O ATOM 1387 CB LYS A 88 -3.314 5.969 -14.914 1.00 10.00 C ATOM 1388 CG LYS A 88 -3.378 5.980 -16.455 1.00 10.00 C ATOM 1389 CD LYS A 88 -4.839 6.058 -16.954 1.00 10.00 C ATOM 1390 CE LYS A 88 -5.121 4.966 -18.003 1.00 10.00 C ATOM 1391 NZ LYS A 88 -6.566 4.726 -18.209 1.00 10.00 N ATOM 0 H LYS A 88 -0.691 6.231 -15.514 1.00 10.00 H new ATOM 0 HA LYS A 88 -2.282 5.337 -13.178 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -4.196 5.444 -14.547 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -3.390 7.000 -14.569 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -2.814 6.830 -16.839 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -2.905 5.080 -16.848 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -5.522 5.944 -16.112 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -5.028 7.041 -17.386 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -4.667 5.254 -18.951 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -4.644 4.037 -17.690 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -6.696 3.982 -18.924 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -6.999 4.424 -17.313 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -7.021 5.603 -18.535 1.00 10.00 H new ATOM 1405 N THR A 89 -1.174 3.640 -15.769 1.00 10.00 N ATOM 1406 CA THR A 89 -1.031 2.325 -16.379 1.00 10.00 C ATOM 1407 C THR A 89 -0.308 1.365 -15.433 1.00 10.00 C ATOM 1408 O THR A 89 -0.862 0.358 -14.999 1.00 10.00 O ATOM 1409 CB THR A 89 -0.280 2.529 -17.705 1.00 10.00 C ATOM 1410 OG1 THR A 89 -1.010 3.456 -18.486 1.00 10.00 O ATOM 1411 CG2 THR A 89 -0.017 1.237 -18.488 1.00 10.00 C ATOM 0 H THR A 89 -0.706 4.378 -16.295 1.00 10.00 H new ATOM 0 HA THR A 89 -2.000 1.867 -16.575 1.00 10.00 H new ATOM 0 HB THR A 89 0.713 2.911 -17.466 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.547 3.603 -19.337 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.517 1.472 -19.409 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.586 0.561 -17.882 1.00 10.00 H new ATOM 0 HG23 THR A 89 -0.966 0.759 -18.730 1.00 10.00 H new ATOM 1419 N GLU A 90 0.938 1.705 -15.103 1.00 10.00 N ATOM 1420 CA GLU A 90 1.780 0.871 -14.260 1.00 10.00 C ATOM 1421 C GLU A 90 1.121 0.695 -12.879 1.00 10.00 C ATOM 1422 O GLU A 90 1.115 -0.399 -12.320 1.00 10.00 O ATOM 1423 CB GLU A 90 3.182 1.506 -14.167 1.00 10.00 C ATOM 1424 CG GLU A 90 4.353 0.574 -14.576 1.00 10.00 C ATOM 1425 CD GLU A 90 5.534 0.604 -13.596 1.00 10.00 C ATOM 1426 OE1 GLU A 90 5.297 0.580 -12.377 1.00 10.00 O ATOM 1427 OE2 GLU A 90 6.719 0.723 -14.002 1.00 10.00 O ATOM 0 H GLU A 90 1.387 2.566 -15.414 1.00 10.00 H new ATOM 0 HA GLU A 90 1.891 -0.124 -14.691 1.00 10.00 H new ATOM 0 HB2 GLU A 90 3.205 2.393 -14.800 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.345 1.841 -13.143 1.00 10.00 H new ATOM 0 HG2 GLU A 90 3.982 -0.448 -14.654 1.00 10.00 H new ATOM 0 HG3 GLU A 90 4.706 0.861 -15.566 1.00 10.00 H new ATOM 1434 N ARG A 91 0.540 1.771 -12.330 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.236 1.693 -11.099 1.00 10.00 C ATOM 1436 C ARG A 91 -1.331 0.632 -11.225 1.00 10.00 C ATOM 1437 O ARG A 91 -1.479 -0.217 -10.348 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.842 3.063 -10.765 1.00 10.00 C ATOM 1439 CG ARG A 91 0.222 4.020 -10.232 1.00 10.00 C ATOM 1440 CD ARG A 91 -0.393 5.312 -9.690 1.00 10.00 C ATOM 1441 NE ARG A 91 0.515 6.451 -9.900 1.00 10.00 N ATOM 1442 CZ ARG A 91 1.450 6.904 -9.056 1.00 10.00 C ATOM 1443 NH1 ARG A 91 1.692 6.225 -7.935 1.00 10.00 N ATOM 1444 NH2 ARG A 91 2.146 8.014 -9.330 1.00 10.00 N ATOM 0 H ARG A 91 0.598 2.709 -12.728 1.00 10.00 H new ATOM 0 HA ARG A 91 0.428 1.403 -10.284 1.00 10.00 H new ATOM 0 HB2 ARG A 91 -1.303 3.487 -11.657 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -1.632 2.944 -10.024 1.00 10.00 H new ATOM 0 HG2 ARG A 91 0.789 3.528 -9.442 1.00 10.00 H new ATOM 0 HG3 ARG A 91 0.927 4.259 -11.028 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -1.344 5.503 -10.186 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -0.605 5.201 -8.627 1.00 10.00 H new ATOM 0 HE ARG A 91 0.422 6.949 -10.785 1.00 10.00 H new ATOM 0 HH11 ARG A 91 1.168 5.374 -7.731 1.00 10.00 H new ATOM 0 HH12 ARG A 91 2.401 6.556 -7.281 1.00 10.00 H new ATOM 0 HH21 ARG A 91 1.967 8.528 -10.193 1.00 10.00 H new ATOM 0 HH22 ARG A 91 2.855 8.346 -8.676 1.00 10.00 H new ATOM 1458 N GLU A 92 -2.083 0.679 -12.324 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.169 -0.260 -12.565 1.00 10.00 C ATOM 1460 C GLU A 92 -2.640 -1.693 -12.542 1.00 10.00 C ATOM 1461 O GLU A 92 -3.154 -2.548 -11.820 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.881 0.047 -13.897 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.344 0.418 -13.651 1.00 10.00 C ATOM 1464 CD GLU A 92 -6.086 -0.783 -13.073 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -6.188 -1.800 -13.809 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.475 -0.676 -11.893 1.00 10.00 O ATOM 0 H GLU A 92 -1.955 1.366 -13.067 1.00 10.00 H new ATOM 0 HA GLU A 92 -3.904 -0.151 -11.768 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.373 0.866 -14.407 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.826 -0.821 -14.554 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -5.405 1.261 -12.963 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.812 0.733 -14.584 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.592 -1.953 -13.330 1.00 10.00 N ATOM 1474 CA ASP A 93 -0.931 -3.253 -13.342 1.00 10.00 C ATOM 1475 C ASP A 93 -0.602 -3.674 -11.906 1.00 10.00 C ATOM 1476 O ASP A 93 -0.903 -4.792 -11.492 1.00 10.00 O ATOM 1477 CB ASP A 93 0.350 -3.198 -14.190 1.00 10.00 C ATOM 1478 CG ASP A 93 0.117 -3.255 -15.693 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.068 -3.306 -16.098 1.00 10.00 O ATOM 1480 OD2 ASP A 93 1.141 -3.254 -16.410 1.00 10.00 O ATOM 0 H ASP A 93 -1.184 -1.272 -13.971 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.602 -3.989 -13.786 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.888 -2.280 -13.953 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.996 -4.028 -13.904 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.022 -2.759 -11.125 1.00 10.00 N ATOM 1486 CA LEU A 94 0.241 -2.977 -9.708 1.00 10.00 C ATOM 1487 C LEU A 94 -0.991 -3.532 -8.992 1.00 10.00 C ATOM 1488 O LEU A 94 -0.933 -4.638 -8.449 1.00 10.00 O ATOM 1489 CB LEU A 94 0.737 -1.679 -9.050 1.00 10.00 C ATOM 1490 CG LEU A 94 1.972 -1.927 -8.187 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.583 -0.592 -7.780 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.659 -2.706 -6.923 1.00 10.00 C ATOM 0 H LEU A 94 0.278 -1.844 -11.463 1.00 10.00 H new ATOM 0 HA LEU A 94 1.028 -3.726 -9.618 1.00 10.00 H new ATOM 0 HB2 LEU A 94 0.972 -0.945 -9.821 1.00 10.00 H new ATOM 0 HB3 LEU A 94 -0.058 -1.254 -8.437 1.00 10.00 H new ATOM 0 HG LEU A 94 2.663 -2.518 -8.789 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.465 -0.768 -7.164 1.00 10.00 H new ATOM 0 HD12 LEU A 94 2.869 -0.036 -8.673 1.00 10.00 H new ATOM 0 HD13 LEU A 94 1.853 -0.016 -7.212 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.574 -2.852 -6.350 1.00 10.00 H new ATOM 0 HD22 LEU A 94 0.939 -2.150 -6.322 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.238 -3.676 -7.188 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.100 -2.781 -9.007 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.361 -3.233 -8.429 1.00 10.00 C ATOM 1506 C ILE A 95 -3.731 -4.618 -8.944 1.00 10.00 C ATOM 1507 O ILE A 95 -4.218 -5.432 -8.171 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.499 -2.224 -8.675 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.513 -1.150 -7.582 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.882 -2.904 -8.682 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.380 -0.131 -7.671 1.00 10.00 C ATOM 0 H ILE A 95 -2.143 -1.849 -9.419 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.220 -3.300 -7.350 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.310 -1.779 -9.652 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.464 -0.619 -7.626 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.466 -1.640 -6.610 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.655 -2.156 -8.859 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.915 -3.653 -9.473 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.056 -3.385 -7.719 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.473 0.588 -6.857 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.422 -0.645 -7.594 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.435 0.392 -8.626 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.543 -4.889 -10.233 1.00 10.00 N ATOM 1524 CA ALA A 96 -3.850 -6.198 -10.799 1.00 10.00 C ATOM 1525 C ALA A 96 -3.217 -7.318 -9.996 1.00 10.00 C ATOM 1526 O ALA A 96 -3.895 -8.256 -9.581 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.324 -6.315 -12.217 1.00 10.00 C ATOM 0 H ALA A 96 -3.178 -4.216 -10.907 1.00 10.00 H new ATOM 0 HA ALA A 96 -4.936 -6.289 -10.780 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -3.566 -7.300 -12.615 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -3.785 -5.549 -12.840 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.242 -6.180 -12.216 1.00 10.00 H new ATOM 1533 N TYR A 97 -1.898 -7.226 -9.812 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.201 -8.215 -9.021 1.00 10.00 C ATOM 1535 C TYR A 97 -1.767 -8.177 -7.621 1.00 10.00 C ATOM 1536 O TYR A 97 -2.302 -9.177 -7.151 1.00 10.00 O ATOM 1537 CB TYR A 97 0.298 -7.955 -8.991 1.00 10.00 C ATOM 1538 CG TYR A 97 1.042 -8.874 -8.046 1.00 10.00 C ATOM 1539 CD1 TYR A 97 1.013 -10.266 -8.255 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.766 -8.344 -6.961 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.717 -11.123 -7.394 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.554 -9.194 -6.167 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.505 -10.584 -6.362 1.00 10.00 C ATOM 1544 OH TYR A 97 3.256 -11.402 -5.575 1.00 10.00 O ATOM 0 H TYR A 97 -1.309 -6.487 -10.196 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.344 -9.199 -9.467 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.701 -8.074 -9.997 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.475 -6.921 -8.697 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.448 -10.675 -9.079 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.716 -7.288 -6.740 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.653 -12.193 -7.524 1.00 10.00 H new ATOM 0 HE2 TYR A 97 3.198 -8.778 -5.406 1.00 10.00 H new ATOM 0 HH TYR A 97 3.740 -10.865 -4.913 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.640 -7.011 -6.984 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.068 -6.776 -5.622 1.00 10.00 C ATOM 1556 C LEU A 98 -3.406 -7.444 -5.324 1.00 10.00 C ATOM 1557 O LEU A 98 -3.476 -8.187 -4.359 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.046 -5.273 -5.300 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.052 -4.942 -4.168 1.00 10.00 C ATOM 1560 CD1 LEU A 98 0.056 -4.029 -4.661 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.725 -4.244 -2.996 1.00 10.00 C ATOM 0 H LEU A 98 -1.224 -6.189 -7.421 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.355 -7.250 -4.948 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -1.776 -4.714 -6.196 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.046 -4.949 -5.012 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.648 -5.900 -3.842 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.741 -3.813 -3.841 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.599 -4.520 -5.469 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.376 -3.098 -5.028 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -0.984 -4.032 -2.225 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.172 -3.310 -3.337 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.502 -4.889 -2.585 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.439 -7.257 -6.147 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.731 -7.914 -6.000 1.00 10.00 C ATOM 1575 C LYS A 99 -5.574 -9.386 -5.621 1.00 10.00 C ATOM 1576 O LYS A 99 -6.086 -9.806 -4.586 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.561 -7.799 -7.290 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.486 -6.574 -7.313 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.639 -6.805 -8.299 1.00 10.00 C ATOM 1580 CE LYS A 99 -9.772 -7.524 -7.556 1.00 10.00 C ATOM 1581 NZ LYS A 99 -10.820 -8.031 -8.466 1.00 10.00 N ATOM 0 H LYS A 99 -4.396 -6.630 -6.951 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.256 -7.403 -5.193 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -5.886 -7.751 -8.144 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.162 -8.701 -7.408 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -7.882 -6.388 -6.315 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.922 -5.687 -7.602 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -8.991 -5.855 -8.700 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -8.301 -7.403 -9.145 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -9.357 -8.356 -6.987 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -10.221 -6.839 -6.837 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -11.560 -8.507 -7.912 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -11.238 -7.236 -8.991 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -10.401 -8.706 -9.136 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.884 -10.179 -6.445 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.680 -11.573 -6.138 1.00 10.00 C ATOM 1597 C LYS A 100 -3.684 -11.684 -4.986 1.00 10.00 C ATOM 1598 O LYS A 100 -3.974 -12.368 -4.017 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.247 -12.314 -7.407 1.00 10.00 C ATOM 1600 CG LYS A 100 -3.852 -13.766 -7.112 1.00 10.00 C ATOM 1601 CD LYS A 100 -4.729 -14.816 -7.811 1.00 10.00 C ATOM 1602 CE LYS A 100 -6.174 -14.826 -7.275 1.00 10.00 C ATOM 1603 NZ LYS A 100 -6.571 -16.142 -6.726 1.00 10.00 N ATOM 0 H LYS A 100 -4.464 -9.870 -7.322 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.602 -12.050 -5.805 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -5.061 -12.299 -8.132 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.404 -11.793 -7.862 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -2.816 -13.916 -7.414 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -3.897 -13.931 -6.035 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -4.743 -14.618 -8.883 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -4.287 -15.803 -7.675 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -6.274 -14.068 -6.498 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -6.857 -14.551 -8.079 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -7.550 -16.093 -6.380 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -6.503 -16.864 -7.472 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -5.939 -16.395 -5.940 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.532 -11.025 -5.087 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.408 -11.207 -4.181 1.00 10.00 C ATOM 1619 C ALA A 101 -1.866 -11.035 -2.736 1.00 10.00 C ATOM 1620 O ALA A 101 -1.684 -11.885 -1.877 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.313 -10.195 -4.536 1.00 10.00 C ATOM 0 H ALA A 101 -2.353 -10.336 -5.817 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.006 -12.215 -4.285 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.534 -10.324 -3.862 1.00 10.00 H new ATOM 0 HB2 ALA A 101 0.013 -10.357 -5.563 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.706 -9.183 -4.435 1.00 10.00 H new ATOM 1627 N THR A 102 -2.494 -9.897 -2.475 1.00 10.00 N ATOM 1628 CA THR A 102 -2.992 -9.571 -1.161 1.00 10.00 C ATOM 1629 C THR A 102 -4.064 -10.562 -0.730 1.00 10.00 C ATOM 1630 O THR A 102 -4.100 -10.931 0.437 1.00 10.00 O ATOM 1631 CB THR A 102 -3.526 -8.147 -1.142 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.640 -8.052 -1.998 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.409 -7.189 -1.558 1.00 10.00 C ATOM 0 H THR A 102 -2.669 -9.177 -3.176 1.00 10.00 H new ATOM 0 HA THR A 102 -2.170 -9.640 -0.449 1.00 10.00 H new ATOM 0 HB THR A 102 -3.853 -7.874 -0.138 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.334 -7.929 -2.921 1.00 10.00 H new ATOM 0 HG21 THR A 102 -2.784 -6.166 -1.547 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.576 -7.277 -0.861 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.070 -7.440 -2.563 1.00 10.00 H new ATOM 1641 N ASN A 103 -4.956 -10.949 -1.647 1.00 10.00 N ATOM 1642 CA ASN A 103 -5.957 -11.964 -1.368 1.00 10.00 C ATOM 1643 C ASN A 103 -5.263 -13.220 -0.834 1.00 10.00 C ATOM 1644 O ASN A 103 -5.559 -13.631 0.286 1.00 10.00 O ATOM 1645 CB ASN A 103 -6.816 -12.205 -2.617 1.00 10.00 C ATOM 1646 CG ASN A 103 -8.000 -13.132 -2.386 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -7.892 -14.172 -1.752 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.156 -12.777 -2.941 1.00 10.00 N ATOM 0 H ASN A 103 -4.999 -10.568 -2.592 1.00 10.00 H new ATOM 0 HA ASN A 103 -6.646 -11.634 -0.591 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -7.184 -11.246 -2.982 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.187 -12.625 -3.402 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -9.975 -13.377 -2.842 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -9.223 -11.905 -3.466 1.00 10.00 H new ATOM 1655 N GLU A 104 -4.309 -13.758 -1.602 1.00 10.00 N ATOM 1656 CA GLU A 104 -3.467 -14.885 -1.239 1.00 10.00 C ATOM 1657 C GLU A 104 -2.194 -14.875 -2.095 1.00 10.00 C ATOM 1658 O GLU A 104 -1.123 -15.196 -1.533 1.00 10.00 O ATOM 1659 CB GLU A 104 -4.210 -16.207 -1.460 1.00 10.00 C ATOM 1660 CG GLU A 104 -5.201 -16.544 -0.339 1.00 10.00 C ATOM 1661 CD GLU A 104 -5.587 -18.014 -0.382 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -6.177 -18.412 -1.411 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -5.269 -18.717 0.602 1.00 10.00 O ATOM 1664 OXT GLU A 104 -2.325 -14.604 -3.312 1.00 10.00 O ATOM 0 H GLU A 104 -4.100 -13.398 -2.533 1.00 10.00 H new ATOM 0 HA GLU A 104 -3.207 -14.796 -0.184 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -4.747 -16.159 -2.407 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -3.482 -17.014 -1.546 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -4.757 -16.308 0.628 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -6.093 -15.926 -0.439 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 3.434 5.090 0.857 1.00 10.00 N HETATM 1673 C2 IMD A 105 3.731 3.802 0.610 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.060 2.983 1.435 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.284 3.820 2.240 1.00 10.00 C HETATM 1676 C5 IMD A 105 2.516 5.122 1.881 1.00 10.00 C HETATM 0 HN1 IMD A 105 3.821 5.899 0.371 1.00 10.00 H new HETATM 0 H5 IMD A 105 2.062 6.010 2.321 1.00 10.00 H new HETATM 0 H4 IMD A 105 1.604 3.491 3.026 1.00 10.00 H new HETATM 0 H2 IMD A 105 4.426 3.467 -0.160 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.177 1.020 1.532 1.00 10.00 FE HETATM 1682 CHA HEC A 110 0.751 1.115 3.888 1.00 10.00 C HETATM 1683 CHB HEC A 110 0.931 0.241 -0.883 1.00 10.00 C HETATM 1684 CHC HEC A 110 5.679 1.274 -0.798 1.00 10.00 C HETATM 1685 CHD HEC A 110 5.587 1.217 3.994 1.00 10.00 C HETATM 1686 NA HEC A 110 1.214 0.795 1.497 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.404 0.902 2.577 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.956 0.705 2.147 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.927 0.485 0.790 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.471 0.494 0.397 1.00 10.00 C HETATM 1691 CMA HEC A 110 -2.133 0.339 -0.120 1.00 10.00 C HETATM 1692 CAA HEC A 110 -2.154 0.690 3.068 1.00 10.00 C HETATM 1693 CBA HEC A 110 -2.195 -0.530 4.005 1.00 10.00 C HETATM 1694 CGA HEC A 110 -2.983 -0.312 5.306 1.00 10.00 C HETATM 1695 O1A HEC A 110 -3.509 0.809 5.509 1.00 10.00 O HETATM 1696 O2A HEC A 110 -3.016 -1.277 6.097 1.00 10.00 O HETATM 1697 NB HEC A 110 3.296 0.781 -0.436 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.266 0.386 -1.232 1.00 10.00 C HETATM 1699 C2B HEC A 110 2.805 0.125 -2.553 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.133 0.492 -2.536 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.426 0.899 -1.189 1.00 10.00 C HETATM 1702 CMB HEC A 110 2.083 -0.507 -3.719 1.00 10.00 C HETATM 1703 CAB HEC A 110 5.129 0.448 -3.688 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.537 1.015 -4.985 1.00 10.00 C HETATM 1705 NC HEC A 110 5.234 1.250 1.582 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.032 1.352 0.503 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.403 1.477 0.918 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.400 1.369 2.287 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.008 1.276 2.691 1.00 10.00 C HETATM 1710 CMC HEC A 110 8.588 1.602 -0.020 1.00 10.00 C HETATM 1711 CAC HEC A 110 8.597 1.238 3.208 1.00 10.00 C HETATM 1712 CBC HEC A 110 9.866 2.038 2.877 1.00 10.00 C HETATM 1713 ND HEC A 110 3.171 1.129 3.547 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.267 1.190 4.342 1.00 10.00 C HETATM 1715 C2D HEC A 110 3.829 1.282 5.711 1.00 10.00 C HETATM 1716 C3D HEC A 110 2.460 1.283 5.690 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.054 1.157 4.311 1.00 10.00 C HETATM 1718 CMD HEC A 110 4.708 1.437 6.932 1.00 10.00 C HETATM 1719 CAD HEC A 110 1.574 1.581 6.868 1.00 10.00 C HETATM 1720 CBD HEC A 110 1.651 3.064 7.233 1.00 10.00 C HETATM 1721 CGD HEC A 110 0.416 3.500 7.996 1.00 10.00 C HETATM 1722 O1D HEC A 110 0.151 2.833 9.016 1.00 10.00 O HETATM 1723 O2D HEC A 110 -0.274 4.444 7.530 1.00 10.00 O HETATM 0 HMD3 HEC A 110 5.387 0.587 7.001 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 5.286 2.358 6.850 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 4.085 1.478 7.826 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 8.640 0.721 -0.660 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 8.471 2.493 -0.637 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 9.506 1.682 0.562 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.755 -1.509 -3.444 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.216 0.099 -3.982 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.756 -0.567 -4.574 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.735 -0.509 0.207 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.733 1.248 -0.078 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.798 0.173 -1.144 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 2.540 3.248 7.837 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 1.752 3.661 6.326 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.236 1.743 1.895 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 9.634 3.103 2.872 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 10.629 1.837 3.628 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.662 0.432 -5.271 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.245 2.054 -4.828 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.283 0.963 -5.778 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -2.633 -1.370 3.467 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -1.173 -0.812 4.258 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 0.544 1.311 6.634 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 1.877 0.974 7.721 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -2.151 1.599 3.669 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -3.064 0.707 2.468 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.337 1.191 4.785 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.418 1.518 -1.561 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.220 -0.083 -1.643 1.00 10.00 H new HETATM 0 HHA HEC A 110 -0.042 1.256 4.622 1.00 10.00 H new HETATM 0 H2D HEC A 110 -0.176 5.234 8.101 1.00 10.00 H new HETATM 0 H2A HEC A 110 -3.515 -1.024 6.902 1.00 10.00 H new