USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC H2D : A 105 HEC O2D : A 105 HEC CGD :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot -135:sc= 1.34 USER MOD Set 1.2: A 78 THR OG1 : rot 30:sc= 1.15 USER MOD Set 2.1: A 26 HIS : no HD1:sc= -0.211 K(o=-0.44,f=-0.95) USER MOD Set 2.2: A 31 ASN : amide:sc= -0.228 K(o=-0.44,f=-4.6!) USER MOD Set 3.1: A 12 GLN : amide:sc= 1.04 K(o=2.3,f=-8.7!) USER MOD Set 3.2: A 13 LYS NZ :NH3+ -172:sc= 1.28 (180deg=0) USER MOD Set 4.1: A 7 LYS NZ :NH3+ -136:sc= 2.45 (180deg=0.357) USER MOD Set 4.2: A 97 TYR OH : rot -131:sc= 0.553 USER MOD Single : A 1 GLY N :NH3+ -110:sc= -0.561 (180deg=-3.82!) USER MOD Single : A 5 LYS NZ :NH3+ -139:sc= 0.884 (180deg=0.0318!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0065 X(o=-0.0065,f=-0.0065) USER MOD Single : A 19 THR OG1 : rot 52:sc= 0.409 USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0181) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=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 33 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 90:sc= 0.555 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.511 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0503 USER MOD Single : A 49 THR OG1 : rot -95:sc= 1.26 USER MOD Single : A 52 ASN : amide:sc= -0.315! K(o=-0.31!,f=-0.9) USER MOD Single : A 53 LYS NZ :NH3+ -123:sc= 1.26 (180deg=-0.0316) USER MOD Single : A 54 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.51) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 0.517 (180deg=-0.199) USER MOD Single : A 63 THR OG1 : rot 16:sc= 0.18 USER MOD Single : A 65 MET CE :methyl -124:sc=-0.00347 (180deg=-0.284) USER MOD Single : A 70 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.8) USER MOD Single : A 72 LYS NZ :NH3+ 163:sc=-0.00928 (180deg=-0.186) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -11:sc= -0.251 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.154 (180deg=-0.154) USER MOD Single : A 86 LYS NZ :NH3+ -156:sc= -0.327 (180deg=-1.6) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 1.14 (180deg=1.14) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0563 USER MOD Single : A 99 LYS NZ :NH3+ 177:sc= 0.722 (180deg=0.541) USER MOD Single : A 100 LYS NZ :NH3+ 154:sc= 2.06 (180deg=0.482!) USER MOD Single : A 102 THR OG1 : rot -90:sc= 0.508 USER MOD Single : A 103 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.24) USER MOD Single : A 105 HEC O2A : rot -131:sc= -0.521 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.037 9.950 2.990 1.00 0.00 N ATOM 2 CA GLY A 1 -10.955 10.206 4.433 1.00 0.00 C ATOM 3 C GLY A 1 -10.456 11.630 4.658 1.00 0.00 C ATOM 4 O GLY A 1 -10.994 12.526 4.016 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.035 9.884 2.705 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.580 10.728 2.473 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.554 9.056 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.933 10.073 4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.280 9.492 4.904 1.00 0.00 H new ATOM 10 N ASP A 2 -9.452 11.829 5.511 1.00 0.00 N ATOM 11 CA ASP A 2 -8.985 13.118 6.005 1.00 0.00 C ATOM 12 C ASP A 2 -7.639 13.510 5.381 1.00 0.00 C ATOM 13 O ASP A 2 -7.334 14.697 5.312 1.00 0.00 O ATOM 14 CB ASP A 2 -8.904 12.992 7.527 1.00 0.00 C ATOM 15 CG ASP A 2 -8.176 14.136 8.210 1.00 0.00 C ATOM 16 OD1 ASP A 2 -6.941 14.206 8.060 1.00 0.00 O ATOM 17 OD2 ASP A 2 -8.839 14.847 8.997 1.00 0.00 O ATOM 0 H ASP A 2 -8.915 11.051 5.895 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.670 13.918 5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.915 12.928 7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.402 12.057 7.776 1.00 0.00 H new ATOM 22 N VAL A 3 -6.860 12.522 4.914 1.00 0.00 N ATOM 23 CA VAL A 3 -5.583 12.605 4.207 1.00 0.00 C ATOM 24 C VAL A 3 -4.441 12.782 5.203 1.00 0.00 C ATOM 25 O VAL A 3 -3.529 11.954 5.266 1.00 0.00 O ATOM 26 CB VAL A 3 -5.603 13.682 3.107 1.00 0.00 C ATOM 27 CG1 VAL A 3 -4.225 13.994 2.518 1.00 0.00 C ATOM 28 CG2 VAL A 3 -6.553 13.350 1.958 1.00 0.00 C ATOM 0 H VAL A 3 -7.142 11.550 5.037 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.412 11.664 3.684 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.964 14.567 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.323 14.762 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.565 14.352 3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.805 13.090 2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.520 14.148 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.249 12.412 1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.568 13.253 2.342 1.00 0.00 H new ATOM 38 N GLU A 4 -4.494 13.849 5.998 1.00 0.00 N ATOM 39 CA GLU A 4 -3.494 14.081 7.026 1.00 0.00 C ATOM 40 C GLU A 4 -3.581 12.972 8.072 1.00 0.00 C ATOM 41 O GLU A 4 -2.580 12.334 8.407 1.00 0.00 O ATOM 42 CB GLU A 4 -3.706 15.471 7.629 1.00 0.00 C ATOM 43 CG GLU A 4 -3.270 16.569 6.646 1.00 0.00 C ATOM 44 CD GLU A 4 -1.756 16.586 6.460 1.00 0.00 C ATOM 45 OE1 GLU A 4 -1.081 17.181 7.324 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.280 15.976 5.474 1.00 0.00 O ATOM 0 H GLU A 4 -5.220 14.563 5.946 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.489 14.055 6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.757 15.604 7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.138 15.560 8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.754 16.409 5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.603 17.540 7.013 1.00 0.00 H new ATOM 53 N LYS A 5 -4.789 12.689 8.557 1.00 0.00 N ATOM 54 CA LYS A 5 -4.985 11.537 9.417 1.00 0.00 C ATOM 55 C LYS A 5 -4.624 10.264 8.674 1.00 0.00 C ATOM 56 O LYS A 5 -4.010 9.407 9.288 1.00 0.00 O ATOM 57 CB LYS A 5 -6.362 11.482 10.073 1.00 0.00 C ATOM 58 CG LYS A 5 -6.605 12.687 10.987 1.00 0.00 C ATOM 59 CD LYS A 5 -7.924 12.484 11.744 1.00 0.00 C ATOM 60 CE LYS A 5 -8.379 13.777 12.436 1.00 0.00 C ATOM 61 NZ LYS A 5 -9.061 14.696 11.501 1.00 0.00 N ATOM 0 H LYS A 5 -5.630 13.235 8.370 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.302 11.641 10.260 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.131 11.450 9.301 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.453 10.563 10.652 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.780 12.797 11.691 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.646 13.603 10.398 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.696 12.150 11.050 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.801 11.696 12.487 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.052 13.531 13.258 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.515 14.279 12.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.755 15.672 11.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.818 14.439 10.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.090 14.624 11.632 1.00 0.00 H new ATOM 75 N GLY A 6 -4.897 10.145 7.371 1.00 0.00 N ATOM 76 CA GLY A 6 -4.379 9.036 6.579 1.00 0.00 C ATOM 77 C GLY A 6 -2.882 8.839 6.836 1.00 0.00 C ATOM 78 O GLY A 6 -2.474 7.756 7.255 1.00 0.00 O ATOM 0 H GLY A 6 -5.473 10.804 6.847 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.919 8.122 6.827 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.549 9.229 5.520 1.00 0.00 H new ATOM 82 N LYS A 7 -2.061 9.878 6.633 1.00 0.00 N ATOM 83 CA LYS A 7 -0.611 9.740 6.761 1.00 0.00 C ATOM 84 C LYS A 7 -0.183 9.394 8.181 1.00 0.00 C ATOM 85 O LYS A 7 0.743 8.609 8.392 1.00 0.00 O ATOM 86 CB LYS A 7 0.155 10.900 6.100 1.00 0.00 C ATOM 87 CG LYS A 7 0.561 12.009 7.055 1.00 0.00 C ATOM 88 CD LYS A 7 1.107 13.265 6.345 1.00 0.00 C ATOM 89 CE LYS A 7 2.643 13.343 6.281 1.00 0.00 C ATOM 90 NZ LYS A 7 3.261 12.487 5.246 1.00 0.00 N ATOM 0 H LYS A 7 -2.376 10.815 6.382 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.312 8.869 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.051 10.502 5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.465 11.326 5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.301 12.290 7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.320 11.629 7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.711 13.294 5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.732 14.150 6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.934 14.378 6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.049 13.064 7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.090 12.002 5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.570 11.781 4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.559 13.075 4.442 1.00 0.00 H new ATOM 104 N LYS A 8 -0.873 9.967 9.159 1.00 0.00 N ATOM 105 CA LYS A 8 -0.519 9.779 10.551 1.00 0.00 C ATOM 106 C LYS A 8 -0.859 8.352 10.983 1.00 0.00 C ATOM 107 O LYS A 8 -0.042 7.669 11.597 1.00 0.00 O ATOM 108 CB LYS A 8 -1.220 10.863 11.388 1.00 0.00 C ATOM 109 CG LYS A 8 -0.480 11.239 12.681 1.00 0.00 C ATOM 110 CD LYS A 8 0.624 12.301 12.500 1.00 0.00 C ATOM 111 CE LYS A 8 1.888 11.783 11.790 1.00 0.00 C ATOM 112 NZ LYS A 8 3.044 12.691 11.947 1.00 0.00 N ATOM 0 H LYS A 8 -1.684 10.567 9.008 1.00 0.00 H new ATOM 0 HA LYS A 8 0.554 9.894 10.707 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.338 11.758 10.777 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.222 10.517 11.644 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.206 11.607 13.406 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.035 10.339 13.105 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.218 13.137 11.931 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.904 12.688 13.480 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.146 10.801 12.187 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.676 11.652 10.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.867 12.294 11.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.812 13.621 11.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.268 12.797 12.957 1.00 0.00 H new ATOM 126 N ILE A 9 -2.060 7.897 10.632 1.00 0.00 N ATOM 127 CA ILE A 9 -2.623 6.616 11.021 1.00 0.00 C ATOM 128 C ILE A 9 -1.849 5.519 10.303 1.00 0.00 C ATOM 129 O ILE A 9 -1.503 4.500 10.899 1.00 0.00 O ATOM 130 CB ILE A 9 -4.124 6.647 10.677 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.832 7.548 11.705 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.762 5.257 10.624 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.298 7.813 11.364 1.00 0.00 C ATOM 0 H ILE A 9 -2.691 8.439 10.042 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.536 6.415 12.089 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.239 7.050 9.671 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.773 7.082 12.689 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.303 8.499 11.770 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.819 5.351 10.377 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.264 4.657 9.863 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.658 4.772 11.594 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.739 8.454 12.127 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.363 8.306 10.394 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.840 6.868 11.327 1.00 0.00 H new ATOM 145 N PHE A 10 -1.555 5.761 9.025 1.00 0.00 N ATOM 146 CA PHE A 10 -0.620 4.972 8.256 1.00 0.00 C ATOM 147 C PHE A 10 0.675 4.812 9.021 1.00 0.00 C ATOM 148 O PHE A 10 1.001 3.706 9.421 1.00 0.00 O ATOM 149 CB PHE A 10 -0.369 5.693 6.920 1.00 0.00 C ATOM 150 CG PHE A 10 0.783 5.172 6.096 1.00 0.00 C ATOM 151 CD1 PHE A 10 2.085 5.638 6.319 1.00 0.00 C ATOM 152 CD2 PHE A 10 0.580 4.123 5.201 1.00 0.00 C ATOM 153 CE1 PHE A 10 3.189 4.971 5.789 1.00 0.00 C ATOM 154 CE2 PHE A 10 1.675 3.482 4.614 1.00 0.00 C ATOM 155 CZ PHE A 10 2.980 3.870 4.945 1.00 0.00 C ATOM 0 H PHE A 10 -1.973 6.526 8.495 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.027 3.978 8.070 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.277 5.631 6.320 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.195 6.749 7.126 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.236 6.528 6.911 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.424 3.805 4.961 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.191 5.297 6.025 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.514 2.685 3.903 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.824 3.322 4.551 1.00 0.00 H new ATOM 165 N VAL A 11 1.427 5.887 9.249 1.00 0.00 N ATOM 166 CA VAL A 11 2.714 5.762 9.897 1.00 0.00 C ATOM 167 C VAL A 11 2.569 5.009 11.232 1.00 0.00 C ATOM 168 O VAL A 11 3.433 4.212 11.592 1.00 0.00 O ATOM 169 CB VAL A 11 3.376 7.150 10.005 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.415 7.188 11.121 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.040 7.629 8.705 1.00 0.00 C ATOM 0 H VAL A 11 1.165 6.839 8.995 1.00 0.00 H new ATOM 0 HA VAL A 11 3.392 5.153 9.299 1.00 0.00 H new ATOM 0 HB VAL A 11 2.553 7.829 10.227 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.862 8.181 11.169 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.935 6.960 12.073 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.192 6.450 10.920 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.482 8.613 8.863 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.818 6.924 8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.291 7.691 7.915 1.00 0.00 H new ATOM 181 N GLN A 12 1.453 5.219 11.939 1.00 0.00 N ATOM 182 CA GLN A 12 1.149 4.539 13.190 1.00 0.00 C ATOM 183 C GLN A 12 1.146 2.999 13.076 1.00 0.00 C ATOM 184 O GLN A 12 1.440 2.348 14.076 1.00 0.00 O ATOM 185 CB GLN A 12 -0.151 5.121 13.783 1.00 0.00 C ATOM 186 CG GLN A 12 -0.158 5.271 15.311 1.00 0.00 C ATOM 187 CD GLN A 12 -0.394 3.971 16.073 1.00 0.00 C ATOM 188 OE1 GLN A 12 -1.238 3.159 15.695 1.00 0.00 O ATOM 189 NE2 GLN A 12 0.298 3.790 17.192 1.00 0.00 N ATOM 0 H GLN A 12 0.729 5.877 11.649 1.00 0.00 H new ATOM 0 HA GLN A 12 1.961 4.734 13.891 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.330 6.099 13.336 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.984 4.480 13.492 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.796 5.694 15.626 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.932 5.986 15.590 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.991 4.480 17.480 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.136 2.961 17.763 1.00 0.00 H new ATOM 198 N LYS A 13 0.807 2.396 11.919 1.00 0.00 N ATOM 199 CA LYS A 13 0.794 0.927 11.779 1.00 0.00 C ATOM 200 C LYS A 13 1.162 0.317 10.416 1.00 0.00 C ATOM 201 O LYS A 13 1.076 -0.900 10.256 1.00 0.00 O ATOM 202 CB LYS A 13 -0.553 0.376 12.238 1.00 0.00 C ATOM 203 CG LYS A 13 -1.771 1.080 11.640 1.00 0.00 C ATOM 204 CD LYS A 13 -2.430 1.932 12.724 1.00 0.00 C ATOM 205 CE LYS A 13 -3.182 1.051 13.742 1.00 0.00 C ATOM 206 NZ LYS A 13 -3.426 1.770 15.007 1.00 0.00 N ATOM 0 H LYS A 13 0.540 2.900 11.073 1.00 0.00 H new ATOM 0 HA LYS A 13 1.621 0.617 12.418 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.602 -0.683 11.984 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.607 0.446 13.324 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.470 1.705 10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.479 0.347 11.254 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.671 2.521 13.239 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.124 2.636 12.265 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.133 0.732 13.315 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.603 0.149 13.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.810 1.110 15.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.532 2.170 15.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.108 2.538 14.844 1.00 0.00 H new ATOM 220 N CYS A 14 1.574 1.117 9.442 1.00 0.00 N ATOM 221 CA CYS A 14 1.980 0.663 8.119 1.00 0.00 C ATOM 222 C CYS A 14 3.493 0.875 8.012 1.00 0.00 C ATOM 223 O CYS A 14 4.218 -0.008 7.571 1.00 0.00 O ATOM 224 CB CYS A 14 1.275 1.425 7.019 1.00 0.00 C ATOM 225 SG CYS A 14 -0.554 1.524 7.017 1.00 0.00 S ATOM 0 H CYS A 14 1.637 2.129 9.554 1.00 0.00 H new ATOM 0 HA CYS A 14 1.713 -0.387 7.997 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.657 2.446 7.033 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.579 0.984 6.070 1.00 0.00 H new ATOM 230 N ALA A 15 3.984 2.050 8.433 1.00 0.00 N ATOM 231 CA ALA A 15 5.372 2.469 8.247 1.00 0.00 C ATOM 232 C ALA A 15 6.419 1.527 8.821 1.00 0.00 C ATOM 233 O ALA A 15 7.514 1.452 8.271 1.00 0.00 O ATOM 234 CB ALA A 15 5.606 3.856 8.809 1.00 0.00 C ATOM 0 H ALA A 15 3.415 2.743 8.919 1.00 0.00 H new ATOM 0 HA ALA A 15 5.504 2.457 7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.647 4.140 8.656 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.957 4.569 8.300 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.382 3.859 9.876 1.00 0.00 H new ATOM 240 N GLN A 16 6.106 0.836 9.920 1.00 0.00 N ATOM 241 CA GLN A 16 6.955 -0.219 10.456 1.00 0.00 C ATOM 242 C GLN A 16 7.461 -1.125 9.325 1.00 0.00 C ATOM 243 O GLN A 16 8.618 -1.537 9.324 1.00 0.00 O ATOM 244 CB GLN A 16 6.162 -1.008 11.511 1.00 0.00 C ATOM 245 CG GLN A 16 7.027 -1.369 12.722 1.00 0.00 C ATOM 246 CD GLN A 16 8.168 -2.328 12.389 1.00 0.00 C ATOM 247 OE1 GLN A 16 9.335 -1.993 12.558 1.00 0.00 O ATOM 248 NE2 GLN A 16 7.839 -3.531 11.931 1.00 0.00 N ATOM 0 H GLN A 16 5.256 0.996 10.460 1.00 0.00 H new ATOM 0 HA GLN A 16 7.834 0.214 10.934 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.306 -0.418 11.839 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.767 -1.919 11.062 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.443 -0.456 13.147 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.396 -1.819 13.488 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.857 -3.777 11.802 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.568 -4.209 11.708 1.00 0.00 H new ATOM 257 N CYS A 17 6.580 -1.394 8.358 1.00 0.00 N ATOM 258 CA CYS A 17 6.868 -2.137 7.148 1.00 0.00 C ATOM 259 C CYS A 17 7.231 -1.193 5.983 1.00 0.00 C ATOM 260 O CYS A 17 8.161 -1.487 5.236 1.00 0.00 O ATOM 261 CB CYS A 17 5.686 -3.023 6.833 1.00 0.00 C ATOM 262 SG CYS A 17 5.384 -4.245 8.161 1.00 0.00 S ATOM 0 H CYS A 17 5.610 -1.083 8.407 1.00 0.00 H new ATOM 0 HA CYS A 17 7.744 -2.769 7.299 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.797 -2.408 6.695 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.862 -3.544 5.892 1.00 0.00 H new ATOM 267 N HIS A 18 6.521 -0.064 5.807 1.00 0.00 N ATOM 268 CA HIS A 18 6.569 0.770 4.601 1.00 0.00 C ATOM 269 C HIS A 18 6.981 2.216 4.897 1.00 0.00 C ATOM 270 O HIS A 18 6.118 3.082 5.015 1.00 0.00 O ATOM 271 CB HIS A 18 5.162 0.824 3.993 1.00 0.00 C ATOM 272 CG HIS A 18 4.679 -0.455 3.390 1.00 0.00 C ATOM 273 ND1 HIS A 18 4.888 -0.832 2.088 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.653 -1.210 3.885 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.033 -1.822 1.813 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.267 -2.100 2.873 1.00 0.00 N ATOM 0 H HIS A 18 5.885 0.299 6.517 1.00 0.00 H new ATOM 0 HA HIS A 18 7.306 0.326 3.932 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.460 1.129 4.769 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.145 1.598 3.226 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.571 -0.430 1.446 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.220 -1.135 4.872 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.969 -2.329 0.862 1.00 0.00 H new ATOM 284 N THR A 19 8.267 2.555 4.971 1.00 0.00 N ATOM 285 CA THR A 19 8.638 3.910 5.370 1.00 0.00 C ATOM 286 C THR A 19 8.552 4.930 4.216 1.00 0.00 C ATOM 287 O THR A 19 9.552 5.584 3.909 1.00 0.00 O ATOM 288 CB THR A 19 10.020 3.894 6.030 1.00 0.00 C ATOM 289 OG1 THR A 19 11.032 3.596 5.091 1.00 0.00 O ATOM 290 CG2 THR A 19 10.117 2.909 7.201 1.00 0.00 C ATOM 0 H THR A 19 9.048 1.931 4.767 1.00 0.00 H new ATOM 0 HA THR A 19 7.905 4.253 6.100 1.00 0.00 H new ATOM 0 HB THR A 19 10.166 4.899 6.426 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.953 4.199 4.322 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.120 2.946 7.625 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.390 3.181 7.966 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.910 1.900 6.845 1.00 0.00 H new ATOM 298 N VAL A 20 7.380 5.097 3.588 1.00 0.00 N ATOM 299 CA VAL A 20 7.137 6.056 2.525 1.00 0.00 C ATOM 300 C VAL A 20 6.995 7.476 3.104 1.00 0.00 C ATOM 301 O VAL A 20 5.906 8.052 3.121 1.00 0.00 O ATOM 302 CB VAL A 20 5.962 5.577 1.652 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.610 5.473 2.367 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.836 6.444 0.401 1.00 0.00 C ATOM 0 H VAL A 20 6.554 4.546 3.821 1.00 0.00 H new ATOM 0 HA VAL A 20 7.992 6.117 1.852 1.00 0.00 H new ATOM 0 HB VAL A 20 6.217 4.552 1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.852 5.128 1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.688 4.765 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.327 6.452 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.001 6.091 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.661 7.480 0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.756 6.381 -0.180 1.00 0.00 H new ATOM 314 N GLU A 21 8.119 8.025 3.576 1.00 0.00 N ATOM 315 CA GLU A 21 8.257 9.430 3.957 1.00 0.00 C ATOM 316 C GLU A 21 9.716 9.845 3.790 1.00 0.00 C ATOM 317 O GLU A 21 10.029 10.760 3.033 1.00 0.00 O ATOM 318 CB GLU A 21 7.799 9.688 5.406 1.00 0.00 C ATOM 319 CG GLU A 21 6.284 9.885 5.533 1.00 0.00 C ATOM 320 CD GLU A 21 5.914 10.574 6.837 1.00 0.00 C ATOM 321 OE1 GLU A 21 6.430 10.139 7.887 1.00 0.00 O ATOM 322 OE2 GLU A 21 5.113 11.533 6.755 1.00 0.00 O ATOM 0 H GLU A 21 8.977 7.490 3.706 1.00 0.00 H new ATOM 0 HA GLU A 21 7.614 10.024 3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.104 8.849 6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.308 10.573 5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.922 10.478 4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.785 8.917 5.478 1.00 0.00 H new ATOM 329 N LYS A 22 10.614 9.164 4.508 1.00 0.00 N ATOM 330 CA LYS A 22 12.043 9.356 4.310 1.00 0.00 C ATOM 331 C LYS A 22 12.453 8.825 2.931 1.00 0.00 C ATOM 332 O LYS A 22 11.636 8.227 2.233 1.00 0.00 O ATOM 333 CB LYS A 22 12.843 8.725 5.461 1.00 0.00 C ATOM 334 CG LYS A 22 12.650 7.210 5.620 1.00 0.00 C ATOM 335 CD LYS A 22 13.650 6.677 6.662 1.00 0.00 C ATOM 336 CE LYS A 22 13.050 5.597 7.572 1.00 0.00 C ATOM 337 NZ LYS A 22 12.060 6.154 8.522 1.00 10.00 N ATOM 0 H LYS A 22 10.373 8.480 5.226 1.00 0.00 H new ATOM 0 HA LYS A 22 12.276 10.421 4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.902 8.928 5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.560 9.214 6.393 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.629 6.993 5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.802 6.710 4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.519 6.268 6.147 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.003 7.506 7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.573 4.832 6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.849 5.107 8.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.782 5.420 9.204 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 12.481 6.957 9.031 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 11.221 6.477 7.999 1.00 10.00 H new ATOM 351 N GLY A 23 13.731 9.015 2.576 1.00 0.00 N ATOM 352 CA GLY A 23 14.324 8.669 1.287 1.00 0.00 C ATOM 353 C GLY A 23 13.762 7.390 0.662 1.00 0.00 C ATOM 354 O GLY A 23 13.464 7.357 -0.529 1.00 0.00 O ATOM 0 H GLY A 23 14.408 9.434 3.214 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.170 9.497 0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 23 15.401 8.556 1.414 1.00 0.00 H new ATOM 358 N GLY A 24 13.621 6.334 1.466 1.00 0.00 N ATOM 359 CA GLY A 24 13.007 5.091 1.059 1.00 0.00 C ATOM 360 C GLY A 24 13.580 3.955 1.892 1.00 0.00 C ATOM 361 O GLY A 24 14.570 4.125 2.605 1.00 0.00 O ATOM 0 H GLY A 24 13.940 6.330 2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.926 5.145 1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.191 4.910 -0.000 1.00 0.00 H new ATOM 365 N LYS A 25 12.945 2.793 1.786 1.00 0.00 N ATOM 366 CA LYS A 25 13.420 1.512 2.268 1.00 0.00 C ATOM 367 C LYS A 25 12.530 0.451 1.618 1.00 0.00 C ATOM 368 O LYS A 25 11.627 0.791 0.855 1.00 0.00 O ATOM 369 CB LYS A 25 13.416 1.452 3.809 1.00 0.00 C ATOM 370 CG LYS A 25 14.699 0.835 4.392 1.00 0.00 C ATOM 371 CD LYS A 25 15.911 1.767 4.205 1.00 0.00 C ATOM 372 CE LYS A 25 17.225 1.160 4.721 1.00 0.00 C ATOM 373 NZ LYS A 25 17.254 1.030 6.192 1.00 0.00 N ATOM 0 H LYS A 25 12.033 2.722 1.335 1.00 0.00 H new ATOM 0 HA LYS A 25 14.460 1.339 1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.292 2.460 4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.556 0.870 4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.556 0.631 5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.896 -0.121 3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.019 2.005 3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.723 2.706 4.725 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.368 0.178 4.271 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.059 1.783 4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.161 0.616 6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.145 1.969 6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.476 0.414 6.501 1.00 0.00 H new ATOM 387 N HIS A 26 12.819 -0.819 1.890 1.00 0.00 N ATOM 388 CA HIS A 26 12.056 -1.966 1.442 1.00 0.00 C ATOM 389 C HIS A 26 12.200 -3.017 2.546 1.00 0.00 C ATOM 390 O HIS A 26 12.695 -2.687 3.623 1.00 0.00 O ATOM 391 CB HIS A 26 12.616 -2.497 0.113 1.00 0.00 C ATOM 392 CG HIS A 26 12.845 -1.467 -0.966 1.00 0.00 C ATOM 393 ND1 HIS A 26 13.945 -0.643 -1.065 1.00 0.00 N ATOM 394 CD2 HIS A 26 12.094 -1.289 -2.098 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.849 0.024 -2.227 1.00 0.00 C ATOM 396 NE2 HIS A 26 12.752 -0.354 -2.900 1.00 0.00 N ATOM 0 H HIS A 26 13.628 -1.081 2.454 1.00 0.00 H new ATOM 0 HA HIS A 26 11.011 -1.711 1.266 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.562 -2.999 0.315 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.930 -3.252 -0.272 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.161 -1.783 -2.329 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.557 0.763 -2.572 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.456 -0.023 -3.818 1.00 0.00 H new ATOM 404 N LYS A 27 11.897 -4.280 2.220 1.00 0.00 N ATOM 405 CA LYS A 27 11.992 -5.463 3.068 1.00 0.00 C ATOM 406 C LYS A 27 10.713 -5.599 3.883 1.00 0.00 C ATOM 407 O LYS A 27 10.458 -4.810 4.786 1.00 0.00 O ATOM 408 CB LYS A 27 13.238 -5.515 3.965 1.00 0.00 C ATOM 409 CG LYS A 27 14.539 -5.334 3.174 1.00 0.00 C ATOM 410 CD LYS A 27 15.735 -5.662 4.074 1.00 0.00 C ATOM 411 CE LYS A 27 17.050 -5.422 3.319 1.00 0.00 C ATOM 412 NZ LYS A 27 18.224 -5.880 4.092 1.00 0.00 N ATOM 0 H LYS A 27 11.555 -4.513 1.288 1.00 0.00 H new ATOM 0 HA LYS A 27 12.109 -6.317 2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.167 -4.737 4.725 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.265 -6.470 4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.539 -5.985 2.300 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.615 -4.310 2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.704 -5.044 4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.679 -6.700 4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.019 -5.944 2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.153 -4.359 3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.091 -5.700 3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.269 -5.364 4.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.139 -6.899 4.280 1.00 0.00 H new ATOM 426 N THR A 28 9.890 -6.587 3.522 1.00 0.00 N ATOM 427 CA THR A 28 8.618 -6.831 4.185 1.00 0.00 C ATOM 428 C THR A 28 7.664 -5.642 3.982 1.00 0.00 C ATOM 429 O THR A 28 6.728 -5.489 4.751 1.00 0.00 O ATOM 430 CB THR A 28 8.856 -7.191 5.670 1.00 0.00 C ATOM 431 OG1 THR A 28 10.001 -8.020 5.773 1.00 0.00 O ATOM 432 CG2 THR A 28 7.693 -7.964 6.306 1.00 0.00 C ATOM 0 H THR A 28 10.092 -7.237 2.762 1.00 0.00 H new ATOM 0 HA THR A 28 8.123 -7.690 3.733 1.00 0.00 H new ATOM 0 HB THR A 28 8.971 -6.242 6.194 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.156 -8.249 6.713 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.928 -8.183 7.348 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.786 -7.361 6.258 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.538 -8.897 5.765 1.00 0.00 H new ATOM 440 N GLY A 29 7.860 -4.846 2.923 1.00 0.00 N ATOM 441 CA GLY A 29 7.051 -3.667 2.639 1.00 0.00 C ATOM 442 C GLY A 29 7.848 -2.703 1.755 1.00 0.00 C ATOM 443 O GLY A 29 8.774 -2.062 2.244 1.00 0.00 O ATOM 0 H GLY A 29 8.595 -5.010 2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.128 -3.958 2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.767 -3.175 3.569 1.00 0.00 H new ATOM 447 N PRO A 30 7.569 -2.623 0.444 1.00 0.00 N ATOM 448 CA PRO A 30 8.233 -1.678 -0.448 1.00 0.00 C ATOM 449 C PRO A 30 7.938 -0.231 -0.036 1.00 0.00 C ATOM 450 O PRO A 30 6.845 0.063 0.439 1.00 0.00 O ATOM 451 CB PRO A 30 7.664 -1.950 -1.848 1.00 0.00 C ATOM 452 CG PRO A 30 7.009 -3.327 -1.742 1.00 0.00 C ATOM 453 CD PRO A 30 6.598 -3.422 -0.279 1.00 0.00 C ATOM 0 HA PRO A 30 9.315 -1.805 -0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.939 -1.188 -2.135 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.450 -1.943 -2.603 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.149 -3.413 -2.406 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.703 -4.122 -2.015 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.587 -3.043 -0.129 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.605 -4.456 0.065 1.00 0.00 H new ATOM 461 N ASN A 31 8.853 0.712 -0.271 1.00 0.00 N ATOM 462 CA ASN A 31 8.467 2.117 -0.274 1.00 0.00 C ATOM 463 C ASN A 31 7.417 2.331 -1.365 1.00 0.00 C ATOM 464 O ASN A 31 7.657 2.017 -2.529 1.00 0.00 O ATOM 465 CB ASN A 31 9.670 3.047 -0.484 1.00 0.00 C ATOM 466 CG ASN A 31 10.462 2.769 -1.763 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.577 1.630 -2.200 1.00 0.00 O ATOM 468 ND2 ASN A 31 11.043 3.802 -2.367 1.00 0.00 N ATOM 0 H ASN A 31 9.840 0.532 -0.457 1.00 0.00 H new ATOM 0 HA ASN A 31 8.051 2.368 0.702 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.318 4.078 -0.505 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.339 2.956 0.371 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.597 3.654 -3.211 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.935 4.742 -1.987 1.00 0.00 H new ATOM 475 N LEU A 32 6.252 2.871 -0.998 1.00 0.00 N ATOM 476 CA LEU A 32 5.105 3.010 -1.888 1.00 0.00 C ATOM 477 C LEU A 32 5.299 4.192 -2.848 1.00 0.00 C ATOM 478 O LEU A 32 4.472 5.100 -2.919 1.00 0.00 O ATOM 479 CB LEU A 32 3.821 3.152 -1.053 1.00 0.00 C ATOM 480 CG LEU A 32 3.625 2.056 0.009 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.392 2.363 0.861 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.447 0.693 -0.655 1.00 0.00 C ATOM 0 H LEU A 32 6.080 3.229 -0.058 1.00 0.00 H new ATOM 0 HA LEU A 32 5.014 2.115 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.831 4.123 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.963 3.146 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 32 4.512 2.034 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.263 1.581 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.524 3.324 1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.509 2.404 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.310 -0.070 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.572 0.716 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.332 0.458 -1.246 1.00 0.00 H new ATOM 494 N HIS A 33 6.401 4.189 -3.598 1.00 0.00 N ATOM 495 CA HIS A 33 6.714 5.218 -4.571 1.00 0.00 C ATOM 496 C HIS A 33 5.846 5.032 -5.815 1.00 0.00 C ATOM 497 O HIS A 33 6.050 4.109 -6.612 1.00 0.00 O ATOM 498 CB HIS A 33 8.214 5.197 -4.903 1.00 0.00 C ATOM 499 CG HIS A 33 9.036 6.082 -3.998 1.00 0.00 C ATOM 500 ND1 HIS A 33 8.869 6.249 -2.640 1.00 0.00 N ATOM 501 CD2 HIS A 33 10.003 6.964 -4.405 1.00 0.00 C ATOM 502 CE1 HIS A 33 9.731 7.202 -2.240 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.445 7.661 -3.279 1.00 0.00 N ATOM 0 H HIS A 33 7.108 3.456 -3.540 1.00 0.00 H new ATOM 0 HA HIS A 33 6.490 6.200 -4.154 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.581 4.173 -4.831 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.355 5.514 -5.936 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.359 7.096 -5.416 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.834 7.549 -1.223 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.169 8.379 -3.252 1.00 0.00 H new ATOM 511 N GLY A 34 4.896 5.945 -5.999 1.00 0.00 N ATOM 512 CA GLY A 34 4.157 6.116 -7.234 1.00 0.00 C ATOM 513 C GLY A 34 2.758 5.511 -7.164 1.00 0.00 C ATOM 514 O GLY A 34 1.794 6.255 -7.286 1.00 0.00 O ATOM 0 H GLY A 34 4.616 6.601 -5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.079 7.179 -7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.709 5.653 -8.052 1.00 0.00 H new ATOM 518 N LEU A 35 2.649 4.190 -6.962 1.00 0.00 N ATOM 519 CA LEU A 35 1.383 3.452 -6.884 1.00 0.00 C ATOM 520 C LEU A 35 0.430 3.813 -8.037 1.00 0.00 C ATOM 521 O LEU A 35 0.444 3.161 -9.080 1.00 0.00 O ATOM 522 CB LEU A 35 0.731 3.648 -5.503 1.00 0.00 C ATOM 523 CG LEU A 35 0.989 2.523 -4.493 1.00 0.00 C ATOM 524 CD1 LEU A 35 2.473 2.166 -4.366 1.00 0.00 C ATOM 525 CD2 LEU A 35 0.437 3.004 -3.145 1.00 0.00 C ATOM 0 H LEU A 35 3.465 3.589 -6.845 1.00 0.00 H new ATOM 0 HA LEU A 35 1.604 2.391 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.091 4.585 -5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.345 3.753 -5.639 1.00 0.00 H new ATOM 0 HG LEU A 35 0.496 1.612 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.593 1.364 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.852 1.837 -5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.031 3.042 -4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.598 2.234 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.951 3.918 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.631 3.203 -3.239 1.00 0.00 H new ATOM 537 N PHE A 36 -0.375 4.858 -7.840 1.00 0.00 N ATOM 538 CA PHE A 36 -1.361 5.394 -8.757 1.00 0.00 C ATOM 539 C PHE A 36 -0.741 5.635 -10.128 1.00 0.00 C ATOM 540 O PHE A 36 -0.066 6.642 -10.332 1.00 0.00 O ATOM 541 CB PHE A 36 -1.930 6.687 -8.158 1.00 0.00 C ATOM 542 CG PHE A 36 -2.617 6.467 -6.822 1.00 0.00 C ATOM 543 CD1 PHE A 36 -3.874 5.837 -6.792 1.00 0.00 C ATOM 544 CD2 PHE A 36 -1.939 6.718 -5.615 1.00 0.00 C ATOM 545 CE1 PHE A 36 -4.433 5.441 -5.568 1.00 0.00 C ATOM 546 CE2 PHE A 36 -2.497 6.301 -4.393 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.766 5.700 -4.367 1.00 0.00 C ATOM 0 H PHE A 36 -0.346 5.386 -6.968 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.172 4.679 -8.897 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.123 7.409 -8.031 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.641 7.124 -8.859 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.410 5.658 -7.713 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.989 7.231 -5.627 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.386 4.932 -5.553 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.949 6.443 -3.473 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.224 5.439 -3.424 1.00 0.00 H new ATOM 557 N GLY A 37 -0.983 4.720 -11.070 1.00 0.00 N ATOM 558 CA GLY A 37 -0.508 4.878 -12.438 1.00 0.00 C ATOM 559 C GLY A 37 0.782 4.102 -12.715 1.00 0.00 C ATOM 560 O GLY A 37 1.343 4.247 -13.800 1.00 0.00 O ATOM 0 H GLY A 37 -1.507 3.861 -10.905 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.283 4.542 -13.127 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.340 5.936 -12.639 1.00 0.00 H new ATOM 564 N ARG A 38 1.254 3.269 -11.779 1.00 0.00 N ATOM 565 CA ARG A 38 2.438 2.437 -11.967 1.00 0.00 C ATOM 566 C ARG A 38 2.027 0.968 -12.075 1.00 0.00 C ATOM 567 O ARG A 38 1.423 0.400 -11.168 1.00 0.00 O ATOM 568 CB ARG A 38 3.490 2.725 -10.878 1.00 0.00 C ATOM 569 CG ARG A 38 4.641 3.543 -11.493 1.00 0.00 C ATOM 570 CD ARG A 38 5.365 4.458 -10.501 1.00 0.00 C ATOM 571 NE ARG A 38 6.003 3.753 -9.371 1.00 0.00 N ATOM 572 CZ ARG A 38 7.224 3.200 -9.382 1.00 0.00 C ATOM 573 NH1 ARG A 38 7.870 3.015 -10.538 1.00 0.00 N ATOM 574 NH2 ARG A 38 7.786 2.858 -8.221 1.00 0.00 N ATOM 0 H ARG A 38 0.818 3.156 -10.864 1.00 0.00 H new ATOM 0 HA ARG A 38 2.927 2.688 -12.908 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.037 3.275 -10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.871 1.790 -10.467 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.365 2.856 -11.931 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.245 4.150 -12.307 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.127 5.023 -11.037 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.651 5.181 -10.106 1.00 0.00 H new ATOM 0 HE ARG A 38 5.467 3.680 -8.506 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.434 3.295 -11.416 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.799 2.594 -10.541 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.287 3.019 -7.346 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.714 2.436 -8.209 1.00 0.00 H new ATOM 588 N LYS A 39 2.340 0.375 -13.232 1.00 0.00 N ATOM 589 CA LYS A 39 2.027 -0.997 -13.582 1.00 0.00 C ATOM 590 C LYS A 39 2.855 -1.929 -12.692 1.00 0.00 C ATOM 591 O LYS A 39 4.051 -2.099 -12.925 1.00 0.00 O ATOM 592 CB LYS A 39 2.280 -1.196 -15.090 1.00 0.00 C ATOM 593 CG LYS A 39 1.264 -0.362 -15.893 1.00 0.00 C ATOM 594 CD LYS A 39 1.593 -0.180 -17.383 1.00 0.00 C ATOM 595 CE LYS A 39 1.503 -1.472 -18.211 1.00 0.00 C ATOM 596 NZ LYS A 39 2.824 -2.089 -18.445 1.00 0.00 N ATOM 0 H LYS A 39 2.839 0.866 -13.974 1.00 0.00 H new ATOM 0 HA LYS A 39 0.978 -1.235 -13.405 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.296 -0.893 -15.343 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.188 -2.251 -15.350 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.285 -0.834 -15.809 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.183 0.623 -15.433 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.911 0.558 -17.806 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.600 0.227 -17.474 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.859 -2.185 -17.696 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.033 -1.253 -19.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.707 -2.956 -19.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.433 -1.421 -18.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.264 -2.325 -17.532 1.00 0.00 H new ATOM 610 N THR A 40 2.235 -2.484 -11.645 1.00 0.00 N ATOM 611 CA THR A 40 2.896 -3.368 -10.699 1.00 0.00 C ATOM 612 C THR A 40 3.321 -4.674 -11.367 1.00 0.00 C ATOM 613 O THR A 40 3.082 -4.912 -12.550 1.00 0.00 O ATOM 614 CB THR A 40 2.012 -3.593 -9.461 1.00 0.00 C ATOM 615 OG1 THR A 40 2.830 -3.620 -8.307 1.00 0.00 O ATOM 616 CG2 THR A 40 1.167 -4.873 -9.457 1.00 0.00 C ATOM 0 H THR A 40 1.250 -2.326 -11.435 1.00 0.00 H new ATOM 0 HA THR A 40 3.812 -2.888 -10.354 1.00 0.00 H new ATOM 0 HB THR A 40 1.306 -2.763 -9.477 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.919 -2.713 -7.948 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.587 -4.923 -8.536 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.491 -4.865 -10.312 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.822 -5.742 -9.520 1.00 0.00 H new ATOM 624 N GLY A 41 3.925 -5.544 -10.563 1.00 0.00 N ATOM 625 CA GLY A 41 4.372 -6.849 -11.002 1.00 0.00 C ATOM 626 C GLY A 41 5.804 -6.786 -11.542 1.00 0.00 C ATOM 627 O GLY A 41 6.254 -7.690 -12.249 1.00 0.00 O ATOM 0 H GLY A 41 4.117 -5.355 -9.579 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.324 -7.552 -10.171 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.704 -7.225 -11.777 1.00 0.00 H new ATOM 631 N GLN A 42 6.539 -5.718 -11.218 1.00 0.00 N ATOM 632 CA GLN A 42 7.877 -5.467 -11.725 1.00 0.00 C ATOM 633 C GLN A 42 8.540 -4.394 -10.860 1.00 0.00 C ATOM 634 O GLN A 42 8.321 -3.204 -11.081 1.00 0.00 O ATOM 635 CB GLN A 42 7.786 -5.030 -13.198 1.00 0.00 C ATOM 636 CG GLN A 42 9.165 -4.776 -13.822 1.00 0.00 C ATOM 637 CD GLN A 42 9.043 -4.277 -15.258 1.00 0.00 C ATOM 638 OE1 GLN A 42 9.353 -3.129 -15.555 1.00 0.00 O ATOM 639 NE2 GLN A 42 8.591 -5.135 -16.169 1.00 0.00 N ATOM 0 H GLN A 42 6.207 -4.993 -10.582 1.00 0.00 H new ATOM 0 HA GLN A 42 8.485 -6.371 -11.678 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.268 -5.799 -13.771 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.186 -4.122 -13.268 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.706 -4.042 -13.225 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.749 -5.696 -13.803 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.340 -6.085 -15.895 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.495 -4.843 -17.142 1.00 0.00 H new ATOM 648 N ALA A 43 9.367 -4.807 -9.899 1.00 0.00 N ATOM 649 CA ALA A 43 10.320 -3.932 -9.222 1.00 0.00 C ATOM 650 C ALA A 43 11.685 -4.627 -9.194 1.00 0.00 C ATOM 651 O ALA A 43 11.735 -5.850 -9.086 1.00 0.00 O ATOM 652 CB ALA A 43 9.830 -3.627 -7.805 1.00 0.00 C ATOM 0 H ALA A 43 9.393 -5.771 -9.566 1.00 0.00 H new ATOM 0 HA ALA A 43 10.411 -2.986 -9.755 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.545 -2.974 -7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.860 -3.132 -7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.735 -4.557 -7.245 1.00 0.00 H new ATOM 658 N PRO A 44 12.802 -3.895 -9.320 1.00 0.00 N ATOM 659 CA PRO A 44 14.120 -4.487 -9.185 1.00 0.00 C ATOM 660 C PRO A 44 14.367 -4.853 -7.717 1.00 0.00 C ATOM 661 O PRO A 44 13.806 -4.237 -6.811 1.00 0.00 O ATOM 662 CB PRO A 44 15.090 -3.414 -9.684 1.00 0.00 C ATOM 663 CG PRO A 44 14.366 -2.108 -9.351 1.00 0.00 C ATOM 664 CD PRO A 44 12.891 -2.463 -9.547 1.00 0.00 C ATOM 0 HA PRO A 44 14.240 -5.408 -9.755 1.00 0.00 H new ATOM 0 HB2 PRO A 44 16.055 -3.479 -9.182 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.280 -3.508 -10.753 1.00 0.00 H new ATOM 0 HG2 PRO A 44 14.570 -1.784 -8.330 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.676 -1.297 -10.010 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.259 -1.915 -8.848 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.555 -2.203 -10.551 1.00 0.00 H new ATOM 672 N GLY A 45 15.212 -5.858 -7.470 1.00 0.00 N ATOM 673 CA GLY A 45 15.617 -6.249 -6.127 1.00 0.00 C ATOM 674 C GLY A 45 14.526 -7.034 -5.395 1.00 0.00 C ATOM 675 O GLY A 45 14.729 -8.195 -5.051 1.00 0.00 O ATOM 0 H GLY A 45 15.635 -6.424 -8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.521 -6.856 -6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.868 -5.358 -5.552 1.00 0.00 H new ATOM 679 N PHE A 46 13.379 -6.399 -5.136 1.00 0.00 N ATOM 680 CA PHE A 46 12.249 -6.987 -4.430 1.00 0.00 C ATOM 681 C PHE A 46 10.980 -6.672 -5.204 1.00 0.00 C ATOM 682 O PHE A 46 10.605 -5.507 -5.293 1.00 0.00 O ATOM 683 CB PHE A 46 12.158 -6.396 -3.018 1.00 0.00 C ATOM 684 CG PHE A 46 10.947 -6.831 -2.202 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.586 -8.191 -2.109 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.157 -5.861 -1.553 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.453 -8.570 -1.364 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.072 -6.256 -0.752 1.00 0.00 C ATOM 689 CZ PHE A 46 8.735 -7.611 -0.638 1.00 0.00 C ATOM 0 H PHE A 46 13.212 -5.434 -5.422 1.00 0.00 H new ATOM 0 HA PHE A 46 12.378 -8.066 -4.351 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.060 -6.668 -2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.149 -5.309 -3.098 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.179 -8.942 -2.609 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.386 -4.812 -1.671 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.137 -9.603 -1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.496 -5.512 -0.222 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.924 -7.915 0.007 1.00 0.00 H new ATOM 699 N THR A 47 10.320 -7.702 -5.740 1.00 0.00 N ATOM 700 CA THR A 47 9.074 -7.555 -6.479 1.00 0.00 C ATOM 701 C THR A 47 7.946 -8.346 -5.817 1.00 0.00 C ATOM 702 O THR A 47 7.025 -8.794 -6.495 1.00 0.00 O ATOM 703 CB THR A 47 9.312 -7.871 -7.963 1.00 0.00 C ATOM 704 OG1 THR A 47 8.331 -7.262 -8.787 1.00 0.00 O ATOM 705 CG2 THR A 47 9.442 -9.365 -8.250 1.00 0.00 C ATOM 0 H THR A 47 10.642 -8.667 -5.670 1.00 0.00 H new ATOM 0 HA THR A 47 8.732 -6.521 -6.447 1.00 0.00 H new ATOM 0 HB THR A 47 10.279 -7.435 -8.214 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.511 -7.480 -9.725 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.609 -9.518 -9.316 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.284 -9.771 -7.689 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.526 -9.874 -7.949 1.00 0.00 H new ATOM 713 N TYR A 48 7.980 -8.431 -4.484 1.00 0.00 N ATOM 714 CA TYR A 48 6.873 -8.915 -3.667 1.00 0.00 C ATOM 715 C TYR A 48 6.758 -10.446 -3.740 1.00 0.00 C ATOM 716 O TYR A 48 7.681 -11.119 -4.195 1.00 0.00 O ATOM 717 CB TYR A 48 5.553 -8.218 -4.037 1.00 0.00 C ATOM 718 CG TYR A 48 5.614 -6.820 -4.631 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.558 -5.878 -4.178 1.00 0.00 C ATOM 720 CD2 TYR A 48 4.884 -6.559 -5.804 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.896 -4.788 -4.999 1.00 0.00 C ATOM 722 CE2 TYR A 48 5.125 -5.393 -6.543 1.00 0.00 C ATOM 723 CZ TYR A 48 6.145 -4.514 -6.151 1.00 0.00 C ATOM 724 OH TYR A 48 6.544 -3.530 -7.003 1.00 0.00 O ATOM 0 H TYR A 48 8.796 -8.159 -3.936 1.00 0.00 H new ATOM 0 HA TYR A 48 7.086 -8.657 -2.630 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.028 -8.857 -4.747 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.940 -8.170 -3.137 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.018 -5.992 -3.208 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.134 -7.261 -6.137 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.736 -4.160 -4.742 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.526 -5.171 -7.414 1.00 0.00 H new ATOM 0 HH TYR A 48 5.914 -3.470 -7.751 1.00 0.00 H new ATOM 734 N THR A 49 5.632 -11.002 -3.281 1.00 0.00 N ATOM 735 CA THR A 49 5.313 -12.412 -3.471 1.00 0.00 C ATOM 736 C THR A 49 4.859 -12.628 -4.916 1.00 0.00 C ATOM 737 O THR A 49 4.229 -11.737 -5.465 1.00 0.00 O ATOM 738 CB THR A 49 4.167 -12.804 -2.529 1.00 0.00 C ATOM 739 OG1 THR A 49 3.034 -11.979 -2.750 1.00 0.00 O ATOM 740 CG2 THR A 49 4.589 -12.720 -1.064 1.00 0.00 C ATOM 0 H THR A 49 4.919 -10.483 -2.768 1.00 0.00 H new ATOM 0 HA THR A 49 6.192 -13.020 -3.258 1.00 0.00 H new ATOM 0 HB THR A 49 3.906 -13.839 -2.749 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.044 -11.232 -2.115 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.751 -13.005 -0.427 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.426 -13.396 -0.887 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.892 -11.699 -0.830 1.00 0.00 H new ATOM 748 N ASP A 50 5.099 -13.809 -5.499 1.00 0.00 N ATOM 749 CA ASP A 50 4.556 -14.274 -6.787 1.00 0.00 C ATOM 750 C ASP A 50 3.095 -13.859 -6.967 1.00 0.00 C ATOM 751 O ASP A 50 2.706 -13.375 -8.016 1.00 0.00 O ATOM 752 CB ASP A 50 4.733 -15.794 -6.881 1.00 0.00 C ATOM 753 CG ASP A 50 4.733 -16.263 -8.332 1.00 0.00 C ATOM 754 OD1 ASP A 50 3.760 -15.934 -9.040 1.00 0.00 O ATOM 755 OD2 ASP A 50 5.722 -16.925 -8.708 1.00 0.00 O ATOM 0 H ASP A 50 5.708 -14.503 -5.065 1.00 0.00 H new ATOM 0 HA ASP A 50 5.107 -13.801 -7.600 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.669 -16.084 -6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.930 -16.290 -6.336 1.00 0.00 H new ATOM 760 N ALA A 51 2.281 -13.958 -5.920 1.00 0.00 N ATOM 761 CA ALA A 51 0.873 -13.599 -6.004 1.00 0.00 C ATOM 762 C ALA A 51 0.647 -12.119 -6.344 1.00 0.00 C ATOM 763 O ALA A 51 -0.298 -11.798 -7.066 1.00 0.00 O ATOM 764 CB ALA A 51 0.194 -14.019 -4.700 1.00 0.00 C ATOM 0 H ALA A 51 2.576 -14.286 -5.000 1.00 0.00 H new ATOM 0 HA ALA A 51 0.418 -14.134 -6.837 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.864 -13.759 -4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.298 -15.096 -4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.663 -13.502 -3.863 1.00 0.00 H new ATOM 770 N ASN A 52 1.497 -11.213 -5.848 1.00 0.00 N ATOM 771 CA ASN A 52 1.429 -9.794 -6.204 1.00 0.00 C ATOM 772 C ASN A 52 2.256 -9.516 -7.466 1.00 0.00 C ATOM 773 O ASN A 52 1.850 -8.723 -8.315 1.00 0.00 O ATOM 774 CB ASN A 52 1.874 -8.922 -5.023 1.00 0.00 C ATOM 775 CG ASN A 52 1.504 -7.435 -5.147 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.128 -6.806 -4.166 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.574 -6.822 -6.328 1.00 0.00 N ATOM 0 H ASN A 52 2.245 -11.442 -5.194 1.00 0.00 H new ATOM 0 HA ASN A 52 0.394 -9.535 -6.429 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.430 -9.318 -4.109 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.955 -9.005 -4.914 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.316 -5.838 -6.408 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.886 -7.336 -7.152 1.00 0.00 H new ATOM 784 N LYS A 53 3.419 -10.151 -7.613 1.00 0.00 N ATOM 785 CA LYS A 53 4.277 -10.065 -8.787 1.00 0.00 C ATOM 786 C LYS A 53 3.435 -10.381 -10.020 1.00 0.00 C ATOM 787 O LYS A 53 3.438 -9.658 -11.013 1.00 0.00 O ATOM 788 CB LYS A 53 5.450 -11.031 -8.600 1.00 0.00 C ATOM 789 CG LYS A 53 6.221 -11.475 -9.848 1.00 0.00 C ATOM 790 CD LYS A 53 6.570 -10.303 -10.769 1.00 0.00 C ATOM 791 CE LYS A 53 7.787 -10.615 -11.640 1.00 0.00 C ATOM 792 NZ LYS A 53 7.835 -9.724 -12.817 1.00 0.00 N ATOM 0 H LYS A 53 3.800 -10.761 -6.889 1.00 0.00 H new ATOM 0 HA LYS A 53 4.694 -9.067 -8.921 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.160 -10.566 -7.916 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.071 -11.925 -8.106 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.138 -11.980 -9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.625 -12.202 -10.400 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.716 -10.073 -11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.769 -9.415 -10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.698 -10.499 -11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.749 -11.654 -11.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.849 -10.296 -13.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.996 -9.109 -12.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.694 -9.139 -12.774 1.00 0.00 H new ATOM 806 N ASN A 54 2.666 -11.458 -9.932 1.00 0.00 N ATOM 807 CA ASN A 54 1.852 -11.952 -11.016 1.00 0.00 C ATOM 808 C ASN A 54 0.668 -11.008 -11.315 1.00 0.00 C ATOM 809 O ASN A 54 -0.071 -11.232 -12.269 1.00 0.00 O ATOM 810 CB ASN A 54 1.358 -13.370 -10.694 1.00 0.00 C ATOM 811 CG ASN A 54 0.665 -14.022 -11.888 1.00 0.00 C ATOM 812 OD1 ASN A 54 1.142 -13.942 -13.015 1.00 0.00 O ATOM 813 ND2 ASN A 54 -0.462 -14.691 -11.656 1.00 0.00 N ATOM 0 H ASN A 54 2.595 -12.019 -9.083 1.00 0.00 H new ATOM 0 HA ASN A 54 2.467 -11.988 -11.915 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.202 -13.986 -10.385 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.667 -13.330 -9.852 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.949 -15.152 -12.425 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.839 -14.743 -10.709 1.00 0.00 H new ATOM 820 N LYS A 55 0.416 -9.990 -10.474 1.00 0.00 N ATOM 821 CA LYS A 55 -0.877 -9.303 -10.465 1.00 0.00 C ATOM 822 C LYS A 55 -1.104 -8.436 -11.710 1.00 0.00 C ATOM 823 O LYS A 55 -2.193 -8.463 -12.279 1.00 0.00 O ATOM 824 CB LYS A 55 -1.050 -8.467 -9.187 1.00 0.00 C ATOM 825 CG LYS A 55 -2.533 -8.181 -8.901 1.00 0.00 C ATOM 826 CD LYS A 55 -3.108 -9.245 -7.957 1.00 0.00 C ATOM 827 CE LYS A 55 -4.628 -9.397 -8.087 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.002 -10.199 -9.270 1.00 0.00 N ATOM 0 H LYS A 55 1.089 -9.630 -9.798 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.637 -10.084 -10.482 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.610 -8.996 -8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.510 -7.526 -9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.640 -7.193 -8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.095 -8.171 -9.835 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.633 -10.204 -8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.860 -8.983 -6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.024 -9.870 -7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.087 -8.411 -8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.038 -10.278 -9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.646 -9.735 -10.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.586 -11.149 -9.191 1.00 0.00 H new ATOM 842 N GLY A 56 -0.110 -7.626 -12.086 1.00 0.00 N ATOM 843 CA GLY A 56 -0.163 -6.776 -13.273 1.00 0.00 C ATOM 844 C GLY A 56 -1.346 -5.795 -13.286 1.00 0.00 C ATOM 845 O GLY A 56 -2.067 -5.702 -14.276 1.00 0.00 O ATOM 0 H GLY A 56 0.764 -7.543 -11.566 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.766 -6.210 -13.344 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.219 -7.409 -14.159 1.00 0.00 H new ATOM 849 N ILE A 57 -1.514 -5.028 -12.206 1.00 0.00 N ATOM 850 CA ILE A 57 -2.465 -3.930 -12.075 1.00 0.00 C ATOM 851 C ILE A 57 -1.711 -2.604 -12.050 1.00 0.00 C ATOM 852 O ILE A 57 -0.490 -2.602 -12.099 1.00 0.00 O ATOM 853 CB ILE A 57 -3.257 -4.087 -10.774 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.333 -4.278 -9.561 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.253 -5.242 -10.932 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.025 -3.865 -8.264 1.00 0.00 C ATOM 0 H ILE A 57 -0.962 -5.166 -11.360 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.151 -3.945 -12.922 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.812 -3.169 -10.581 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.027 -5.322 -9.496 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.426 -3.688 -9.696 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.822 -5.361 -10.010 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.936 -5.024 -11.753 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.711 -6.163 -11.145 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.344 -4.012 -7.426 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.308 -2.814 -8.321 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.918 -4.473 -8.118 1.00 0.00 H new ATOM 868 N THR A 58 -2.425 -1.481 -11.939 1.00 0.00 N ATOM 869 CA THR A 58 -1.873 -0.132 -12.044 1.00 0.00 C ATOM 870 C THR A 58 -1.904 0.619 -10.699 1.00 0.00 C ATOM 871 O THR A 58 -1.898 1.851 -10.688 1.00 0.00 O ATOM 872 CB THR A 58 -2.685 0.593 -13.131 1.00 0.00 C ATOM 873 OG1 THR A 58 -3.110 -0.340 -14.111 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.866 1.675 -13.826 1.00 0.00 C ATOM 0 H THR A 58 -3.431 -1.487 -11.769 1.00 0.00 H new ATOM 0 HA THR A 58 -0.818 -0.173 -12.315 1.00 0.00 H new ATOM 0 HB THR A 58 -3.538 1.061 -12.640 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.628 0.124 -14.801 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.477 2.162 -14.586 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.542 2.414 -13.093 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.992 1.224 -14.297 1.00 0.00 H new ATOM 882 N TRP A 59 -1.989 -0.135 -9.589 1.00 0.00 N ATOM 883 CA TRP A 59 -2.240 0.338 -8.228 1.00 0.00 C ATOM 884 C TRP A 59 -3.066 1.616 -8.188 1.00 0.00 C ATOM 885 O TRP A 59 -2.648 2.639 -7.654 1.00 0.00 O ATOM 886 CB TRP A 59 -0.940 0.430 -7.427 1.00 0.00 C ATOM 887 CG TRP A 59 -0.456 -0.888 -6.927 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.724 -1.450 -7.248 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.133 -1.840 -6.053 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.778 -2.728 -6.735 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.340 -3.021 -5.975 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.352 -1.836 -5.336 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.757 -4.148 -5.247 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.736 -2.931 -4.542 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.948 -4.092 -4.506 1.00 0.00 C ATOM 0 H TRP A 59 -1.877 -1.148 -9.626 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.861 -0.409 -7.734 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.168 0.878 -8.052 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.091 1.098 -6.579 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.507 -0.973 -7.819 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.548 -3.378 -6.896 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.001 -0.975 -5.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.165 -5.051 -5.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.642 -2.878 -3.957 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.257 -4.939 -3.911 1.00 0.00 H new ATOM 906 N LYS A 60 -4.274 1.520 -8.740 1.00 0.00 N ATOM 907 CA LYS A 60 -5.197 2.631 -8.804 1.00 0.00 C ATOM 908 C LYS A 60 -6.109 2.625 -7.569 1.00 0.00 C ATOM 909 O LYS A 60 -6.166 1.642 -6.816 1.00 0.00 O ATOM 910 CB LYS A 60 -5.984 2.572 -10.121 1.00 0.00 C ATOM 911 CG LYS A 60 -6.553 1.169 -10.386 1.00 0.00 C ATOM 912 CD LYS A 60 -7.937 1.235 -11.022 1.00 0.00 C ATOM 913 CE LYS A 60 -8.006 1.656 -12.493 1.00 0.00 C ATOM 914 NZ LYS A 60 -9.406 1.983 -12.849 1.00 0.00 N ATOM 0 H LYS A 60 -4.634 0.661 -9.155 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.652 3.575 -8.793 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.800 3.295 -10.089 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.333 2.862 -10.946 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.877 0.619 -11.041 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.609 0.615 -9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.400 0.253 -10.929 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.544 1.930 -10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.365 2.520 -12.665 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.636 0.853 -13.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.483 2.104 -13.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.032 1.211 -12.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.688 2.865 -12.375 1.00 0.00 H new ATOM 928 N GLU A 61 -6.865 3.717 -7.414 1.00 0.00 N ATOM 929 CA GLU A 61 -7.770 4.038 -6.305 1.00 0.00 C ATOM 930 C GLU A 61 -9.056 3.207 -6.286 1.00 0.00 C ATOM 931 O GLU A 61 -10.123 3.689 -5.913 1.00 0.00 O ATOM 932 CB GLU A 61 -8.058 5.548 -6.350 1.00 0.00 C ATOM 933 CG GLU A 61 -8.730 6.013 -7.653 1.00 0.00 C ATOM 934 CD GLU A 61 -8.694 7.524 -7.737 1.00 0.00 C ATOM 935 OE1 GLU A 61 -7.622 8.056 -8.089 1.00 0.00 O ATOM 936 OE2 GLU A 61 -9.679 8.164 -7.307 1.00 0.00 O ATOM 0 H GLU A 61 -6.860 4.457 -8.116 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.274 3.772 -5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.698 5.812 -5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.122 6.091 -6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.218 5.579 -8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.761 5.662 -7.686 1.00 0.00 H new ATOM 943 N GLU A 62 -8.925 1.935 -6.648 1.00 0.00 N ATOM 944 CA GLU A 62 -9.984 0.958 -6.752 1.00 0.00 C ATOM 945 C GLU A 62 -9.380 -0.349 -6.230 1.00 0.00 C ATOM 946 O GLU A 62 -9.815 -0.916 -5.229 1.00 0.00 O ATOM 947 CB GLU A 62 -10.441 0.851 -8.224 1.00 0.00 C ATOM 948 CG GLU A 62 -10.710 2.215 -8.902 1.00 0.00 C ATOM 949 CD GLU A 62 -10.988 2.092 -10.403 1.00 0.00 C ATOM 950 OE1 GLU A 62 -10.897 0.965 -10.939 1.00 0.00 O ATOM 951 OE2 GLU A 62 -11.018 3.129 -11.100 1.00 0.00 O ATOM 0 H GLU A 62 -8.015 1.542 -6.890 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.871 1.221 -6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.678 0.319 -8.792 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.349 0.250 -8.269 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.562 2.693 -8.418 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.849 2.866 -8.750 1.00 0.00 H new ATOM 958 N THR A 63 -8.278 -0.764 -6.863 1.00 0.00 N ATOM 959 CA THR A 63 -7.505 -1.924 -6.474 1.00 0.00 C ATOM 960 C THR A 63 -6.967 -1.745 -5.059 1.00 0.00 C ATOM 961 O THR A 63 -7.026 -2.670 -4.254 1.00 0.00 O ATOM 962 CB THR A 63 -6.387 -2.146 -7.506 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.776 -0.923 -7.898 1.00 0.00 O ATOM 964 CG2 THR A 63 -6.983 -2.770 -8.771 1.00 0.00 C ATOM 0 H THR A 63 -7.898 -0.283 -7.679 1.00 0.00 H new ATOM 0 HA THR A 63 -8.133 -2.815 -6.461 1.00 0.00 H new ATOM 0 HB THR A 63 -5.643 -2.792 -7.040 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.013 -0.219 -7.258 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.193 -2.929 -9.505 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.445 -3.725 -8.522 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.736 -2.100 -9.187 1.00 0.00 H new ATOM 972 N LEU A 64 -6.473 -0.546 -4.738 1.00 0.00 N ATOM 973 CA LEU A 64 -6.014 -0.248 -3.394 1.00 0.00 C ATOM 974 C LEU A 64 -7.144 -0.408 -2.371 1.00 0.00 C ATOM 975 O LEU A 64 -6.923 -0.982 -1.309 1.00 0.00 O ATOM 976 CB LEU A 64 -5.404 1.160 -3.363 1.00 0.00 C ATOM 977 CG LEU A 64 -3.862 1.134 -3.402 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.326 1.738 -4.698 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.266 1.903 -2.223 1.00 0.00 C ATOM 0 H LEU A 64 -6.384 0.229 -5.396 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.241 -0.964 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.777 1.733 -4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.733 1.676 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.566 0.087 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.237 1.704 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.702 1.169 -5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.656 2.774 -4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.178 1.867 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.597 2.941 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.597 1.450 -1.288 1.00 0.00 H new ATOM 991 N MET A 65 -8.351 0.073 -2.674 1.00 0.00 N ATOM 992 CA MET A 65 -9.480 -0.035 -1.766 1.00 0.00 C ATOM 993 C MET A 65 -9.828 -1.494 -1.488 1.00 0.00 C ATOM 994 O MET A 65 -10.257 -1.822 -0.380 1.00 0.00 O ATOM 995 CB MET A 65 -10.704 0.677 -2.345 1.00 0.00 C ATOM 996 CG MET A 65 -10.410 2.136 -2.713 1.00 0.00 C ATOM 997 SD MET A 65 -11.836 3.240 -2.596 1.00 0.00 S ATOM 998 CE MET A 65 -11.924 3.351 -0.799 1.00 0.00 C ATOM 0 H MET A 65 -8.567 0.545 -3.552 1.00 0.00 H new ATOM 0 HA MET A 65 -9.193 0.441 -0.828 1.00 0.00 H new ATOM 0 HB2 MET A 65 -11.046 0.143 -3.232 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.517 0.645 -1.620 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.622 2.511 -2.060 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.023 2.170 -3.731 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.916 3.049 -0.464 1.00 0.00 H new ATOM 0 HE2 MET A 65 -11.176 2.693 -0.357 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.733 4.378 -0.488 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.734 -2.357 -2.500 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.061 -3.768 -2.344 1.00 0.00 C ATOM 1010 C GLU A 66 -8.965 -4.483 -1.538 1.00 0.00 C ATOM 1011 O GLU A 66 -9.249 -5.209 -0.584 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.342 -4.381 -3.724 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.270 -5.600 -3.602 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.703 -6.142 -4.960 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -10.805 -6.376 -5.796 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -12.925 -6.341 -5.126 1.00 0.00 O ATOM 0 H GLU A 66 -9.432 -2.098 -3.439 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.974 -3.894 -1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.799 -3.634 -4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.404 -4.678 -4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.760 -6.387 -3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.153 -5.324 -3.026 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.702 -4.229 -1.887 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.542 -4.789 -1.205 1.00 0.00 C ATOM 1025 C TYR A 67 -6.562 -4.425 0.270 1.00 0.00 C ATOM 1026 O TYR A 67 -6.573 -5.308 1.117 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.268 -4.277 -1.886 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.973 -4.890 -1.384 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.844 -6.284 -1.253 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.867 -4.072 -1.101 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.648 -6.859 -0.806 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.667 -4.650 -0.663 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.549 -6.041 -0.525 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.384 -6.610 -0.120 1.00 0.00 O ATOM 0 H TYR A 67 -7.457 -3.617 -2.665 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.567 -5.877 -1.271 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.348 -4.464 -2.957 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.214 -3.196 -1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.680 -6.921 -1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.941 -3.001 -1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.575 -7.929 -0.679 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.824 -4.017 -0.429 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.022 -6.109 0.641 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.565 -3.135 0.592 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.495 -2.710 1.983 1.00 0.00 C ATOM 1046 C LEU A 68 -7.674 -3.229 2.803 1.00 0.00 C ATOM 1047 O LEU A 68 -7.494 -3.552 3.976 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.325 -1.188 2.105 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.860 -0.721 2.064 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.029 -1.411 3.150 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.188 -0.936 0.705 1.00 0.00 C ATOM 0 H LEU A 68 -6.615 -2.374 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.600 -3.163 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.873 -0.705 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.777 -0.855 3.040 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.895 0.353 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.998 -1.061 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.442 -1.174 4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.054 -2.490 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.157 -0.584 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.199 -1.998 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.729 -0.380 -0.060 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.861 -3.347 2.198 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.984 -3.985 2.875 1.00 0.00 C ATOM 1065 C GLU A 69 -9.632 -5.433 3.227 1.00 0.00 C ATOM 1066 O GLU A 69 -9.766 -5.843 4.379 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.226 -3.926 1.982 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.526 -4.323 2.704 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.508 -5.041 1.781 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -14.178 -4.331 0.992 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -13.559 -6.283 1.859 1.00 0.00 O ATOM 0 H GLU A 69 -9.063 -3.013 1.255 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.198 -3.453 3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.333 -2.915 1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.080 -4.586 1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.287 -4.969 3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.000 -3.430 3.110 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.224 -6.217 2.223 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.186 -7.670 2.339 1.00 0.00 C ATOM 1080 C ASN A 70 -7.942 -8.244 1.656 1.00 0.00 C ATOM 1081 O ASN A 70 -8.057 -8.961 0.664 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.473 -8.208 1.700 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.898 -9.616 2.116 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -11.808 -10.180 1.515 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -10.283 -10.230 3.125 1.00 0.00 N ATOM 0 H ASN A 70 -8.915 -5.862 1.318 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.128 -7.971 3.385 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.286 -7.521 1.937 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.349 -8.194 0.617 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.568 -11.170 3.400 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.527 -9.760 3.623 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.736 -7.963 2.164 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.513 -8.117 1.389 1.00 0.00 C ATOM 1094 C PRO A 71 -5.236 -9.574 1.031 1.00 0.00 C ATOM 1095 O PRO A 71 -4.913 -9.880 -0.116 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.407 -7.454 2.214 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.966 -7.444 3.638 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.476 -7.323 3.438 1.00 0.00 C ATOM 0 HA PRO A 71 -5.588 -7.633 0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.474 -8.014 2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.195 -6.445 1.861 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.706 -8.356 4.176 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.571 -6.609 4.217 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.022 -7.812 4.245 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.791 -6.279 3.427 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.410 -10.481 1.997 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.270 -11.913 1.769 1.00 0.00 C ATOM 1108 C LYS A 72 -6.299 -12.467 0.770 1.00 0.00 C ATOM 1109 O LYS A 72 -6.101 -13.571 0.266 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.312 -12.677 3.108 1.00 0.00 C ATOM 1111 CG LYS A 72 -3.922 -12.864 3.744 1.00 0.00 C ATOM 1112 CD LYS A 72 -3.456 -11.683 4.614 1.00 0.00 C ATOM 1113 CE LYS A 72 -3.840 -11.835 6.097 1.00 0.00 C ATOM 1114 NZ LYS A 72 -3.123 -12.944 6.765 1.00 0.00 N ATOM 0 H LYS A 72 -5.652 -10.238 2.958 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.295 -12.070 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.954 -12.139 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.765 -13.655 2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.934 -13.767 4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.192 -13.025 2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.373 -11.586 4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.889 -10.761 4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.626 -10.903 6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.914 -12.004 6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.189 -12.829 7.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.552 -13.850 6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.123 -12.933 6.479 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.391 -11.746 0.489 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.373 -12.173 -0.498 1.00 0.00 C ATOM 1130 C LYS A 73 -8.015 -11.575 -1.855 1.00 0.00 C ATOM 1131 O LYS A 73 -7.938 -12.305 -2.840 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.775 -11.764 -0.045 1.00 0.00 C ATOM 1133 CG LYS A 73 -10.896 -12.343 -0.923 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.597 -11.229 -1.715 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.715 -11.801 -2.598 1.00 0.00 C ATOM 1136 NZ LYS A 73 -13.503 -10.729 -3.248 1.00 0.00 N ATOM 0 H LYS A 73 -7.612 -10.858 0.939 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.364 -13.259 -0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.925 -12.090 0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.847 -10.676 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.482 -13.080 -1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.622 -12.864 -0.298 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.013 -10.495 -1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.869 -10.707 -2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.281 -12.447 -3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.375 -12.422 -1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.248 -11.154 -3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.937 -10.127 -2.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.877 -10.152 -3.846 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.799 -10.254 -1.918 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.369 -9.590 -3.137 1.00 0.00 C ATOM 1152 C TYR A 74 -6.157 -10.288 -3.771 1.00 0.00 C ATOM 1153 O TYR A 74 -6.140 -10.522 -4.980 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.053 -8.137 -2.794 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.717 -7.285 -4.000 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.763 -6.859 -4.833 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.382 -7.072 -4.391 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.483 -6.287 -6.082 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.098 -6.520 -5.653 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.152 -6.161 -6.507 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.893 -5.837 -7.801 1.00 0.00 O ATOM 0 H TYR A 74 -7.919 -9.625 -1.124 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.167 -9.636 -3.878 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.909 -7.700 -2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.215 -8.112 -2.098 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.788 -6.972 -4.511 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.575 -7.332 -3.722 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.289 -5.945 -6.714 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.074 -6.373 -5.963 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.716 -5.909 -8.327 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.141 -10.610 -2.960 1.00 0.00 N ATOM 1172 CA ILE A 75 -3.965 -11.368 -3.374 1.00 0.00 C ATOM 1173 C ILE A 75 -3.931 -12.694 -2.598 1.00 0.00 C ATOM 1174 O ILE A 75 -3.690 -12.681 -1.389 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.694 -10.515 -3.181 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.589 -9.532 -4.357 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.420 -11.371 -3.200 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.746 -8.297 -4.037 1.00 0.00 C ATOM 0 H ILE A 75 -5.118 -10.342 -1.976 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.011 -11.611 -4.435 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.774 -10.012 -2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.156 -10.047 -5.215 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.591 -9.215 -4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.549 -10.730 -3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.463 -12.105 -2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.342 -11.886 -4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.712 -7.644 -4.909 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.190 -7.760 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.734 -8.605 -3.775 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.144 -13.844 -3.266 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.195 -15.144 -2.616 1.00 0.00 C ATOM 1192 C PRO A 76 -2.783 -15.612 -2.245 1.00 0.00 C ATOM 1193 O PRO A 76 -2.230 -16.509 -2.876 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.882 -16.069 -3.627 1.00 0.00 C ATOM 1195 CG PRO A 76 -4.445 -15.488 -4.970 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.408 -13.985 -4.693 1.00 0.00 C ATOM 0 HA PRO A 76 -4.747 -15.128 -1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.561 -17.104 -3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.966 -16.057 -3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.470 -15.867 -5.277 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.148 -15.735 -5.766 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.631 -13.499 -5.283 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.354 -13.515 -4.963 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.212 -15.004 -1.204 1.00 0.00 N ATOM 1205 CA GLY A 77 -0.939 -15.405 -0.616 1.00 0.00 C ATOM 1206 C GLY A 77 0.050 -14.246 -0.561 1.00 0.00 C ATOM 1207 O GLY A 77 1.223 -14.415 -0.887 1.00 0.00 O ATOM 0 H GLY A 77 -2.634 -14.201 -0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.108 -15.787 0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.511 -16.221 -1.198 1.00 0.00 H new ATOM 1211 N THR A 78 -0.412 -13.073 -0.123 1.00 0.00 N ATOM 1212 CA THR A 78 0.472 -11.953 0.132 1.00 0.00 C ATOM 1213 C THR A 78 1.296 -12.229 1.389 1.00 0.00 C ATOM 1214 O THR A 78 0.846 -12.935 2.294 1.00 0.00 O ATOM 1215 CB THR A 78 -0.309 -10.633 0.259 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.575 -9.610 0.648 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.434 -10.673 1.296 1.00 0.00 C ATOM 0 H THR A 78 -1.397 -12.882 0.060 1.00 0.00 H new ATOM 0 HA THR A 78 1.146 -11.842 -0.718 1.00 0.00 H new ATOM 0 HB THR A 78 -0.758 -10.457 -0.718 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.470 -9.800 0.297 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.936 -9.706 1.326 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.152 -11.447 1.024 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.016 -10.895 2.278 1.00 0.00 H new ATOM 1225 N LYS A 79 2.476 -11.612 1.467 1.00 0.00 N ATOM 1226 CA LYS A 79 3.285 -11.570 2.683 1.00 0.00 C ATOM 1227 C LYS A 79 3.062 -10.247 3.432 1.00 0.00 C ATOM 1228 O LYS A 79 3.911 -9.823 4.212 1.00 0.00 O ATOM 1229 CB LYS A 79 4.759 -11.843 2.332 1.00 0.00 C ATOM 1230 CG LYS A 79 5.598 -12.289 3.539 1.00 0.00 C ATOM 1231 CD LYS A 79 7.011 -12.677 3.082 1.00 0.00 C ATOM 1232 CE LYS A 79 7.826 -13.222 4.264 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.182 -13.649 3.856 1.00 0.00 N ATOM 0 H LYS A 79 2.900 -11.123 0.679 1.00 0.00 H new ATOM 0 HA LYS A 79 2.974 -12.357 3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.805 -12.613 1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.197 -10.940 1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.652 -11.484 4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.121 -13.136 4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.952 -13.429 2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.513 -11.809 2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.905 -12.454 5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.299 -14.066 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.696 -14.010 4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.109 -14.400 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.696 -12.838 3.456 1.00 0.00 H new ATOM 1247 N MET A 80 1.917 -9.593 3.215 1.00 0.00 N ATOM 1248 CA MET A 80 1.602 -8.317 3.836 1.00 0.00 C ATOM 1249 C MET A 80 1.274 -8.409 5.329 1.00 0.00 C ATOM 1250 O MET A 80 1.514 -7.479 6.089 1.00 0.00 O ATOM 1251 CB MET A 80 0.496 -7.654 3.022 1.00 0.00 C ATOM 1252 CG MET A 80 0.012 -6.338 3.624 1.00 0.00 C ATOM 1253 SD MET A 80 0.057 -4.936 2.492 1.00 0.00 S ATOM 1254 CE MET A 80 -1.610 -4.242 2.654 1.00 0.00 C ATOM 0 H MET A 80 1.183 -9.942 2.599 1.00 0.00 H new ATOM 0 HA MET A 80 2.496 -7.694 3.819 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.858 -7.472 2.010 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.347 -8.340 2.940 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.010 -6.470 3.979 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.624 -6.105 4.495 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.707 -3.372 2.005 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.346 -4.993 2.367 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.781 -3.944 3.688 1.00 0.00 H new ATOM 1264 N ILE A 81 0.717 -9.539 5.750 1.00 0.00 N ATOM 1265 CA ILE A 81 0.316 -9.809 7.124 1.00 0.00 C ATOM 1266 C ILE A 81 -0.519 -8.650 7.696 1.00 0.00 C ATOM 1267 O ILE A 81 -0.123 -7.994 8.657 1.00 0.00 O ATOM 1268 CB ILE A 81 1.567 -10.105 7.971 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.619 -10.985 7.273 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.203 -10.708 9.338 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.108 -12.355 6.816 1.00 0.00 C ATOM 0 H ILE A 81 0.526 -10.319 5.121 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.327 -10.689 7.149 1.00 0.00 H new ATOM 0 HB ILE A 81 2.030 -9.129 8.116 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.004 -10.448 6.406 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.457 -11.134 7.954 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.114 -10.902 9.904 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.575 -10.008 9.889 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.661 -11.642 9.191 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.918 -12.904 6.336 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.751 -12.917 7.679 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.291 -12.221 6.107 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.696 -8.396 7.114 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.561 -7.308 7.551 1.00 0.00 C ATOM 1285 C PHE A 82 -4.023 -7.711 7.381 1.00 0.00 C ATOM 1286 O PHE A 82 -4.318 -8.570 6.551 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.215 -6.046 6.751 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.462 -4.764 7.511 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -1.593 -4.417 8.561 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -3.506 -3.897 7.146 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -1.709 -3.167 9.187 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -3.640 -2.659 7.794 1.00 0.00 C ATOM 1293 CZ PHE A 82 -2.713 -2.277 8.782 1.00 0.00 C ATOM 0 H PHE A 82 -2.069 -8.937 6.334 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.404 -7.095 8.608 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.166 -6.088 6.457 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.803 -6.034 5.834 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.835 -5.114 8.886 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.202 -4.182 6.371 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.027 -2.892 9.978 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.455 -1.999 7.534 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.776 -1.296 9.229 1.00 0.00 H new ATOM 1303 N ALA A 83 -4.922 -7.132 8.184 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.336 -7.496 8.211 1.00 0.00 C ATOM 1305 C ALA A 83 -7.147 -6.431 8.959 1.00 0.00 C ATOM 1306 O ALA A 83 -7.884 -6.747 9.890 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.491 -8.872 8.869 1.00 0.00 C ATOM 0 H ALA A 83 -4.682 -6.389 8.840 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.720 -7.548 7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.545 -9.148 8.891 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.934 -9.614 8.297 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.104 -8.834 9.887 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.011 -5.167 8.550 1.00 0.00 N ATOM 1314 CA GLY A 84 -7.729 -4.041 9.138 1.00 0.00 C ATOM 1315 C GLY A 84 -6.791 -3.137 9.937 1.00 0.00 C ATOM 1316 O GLY A 84 -5.636 -3.484 10.171 1.00 0.00 O ATOM 0 H GLY A 84 -6.388 -4.896 7.789 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.210 -3.462 8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.521 -4.412 9.789 1.00 0.00 H new ATOM 1320 N ILE A 85 -7.287 -1.956 10.326 1.00 0.00 N ATOM 1321 CA ILE A 85 -6.466 -0.885 10.889 1.00 0.00 C ATOM 1322 C ILE A 85 -7.264 0.043 11.814 1.00 0.00 C ATOM 1323 O ILE A 85 -6.746 0.451 12.854 1.00 0.00 O ATOM 1324 CB ILE A 85 -5.718 -0.139 9.762 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -5.140 1.208 10.230 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -6.570 0.054 8.506 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -4.030 1.731 9.311 1.00 0.00 C ATOM 0 H ILE A 85 -8.277 -1.718 10.257 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.712 -1.334 11.535 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.884 -0.789 9.495 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.942 1.945 10.279 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.747 1.098 11.241 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.990 0.584 7.751 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.870 -0.919 8.117 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.458 0.635 8.755 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.661 2.684 9.692 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.212 1.011 9.282 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.426 1.871 8.305 1.00 0.00 H new ATOM 1339 N LYS A 86 -8.505 0.393 11.453 1.00 0.00 N ATOM 1340 CA LYS A 86 -9.386 1.217 12.261 1.00 0.00 C ATOM 1341 C LYS A 86 -10.816 0.660 12.223 1.00 0.00 C ATOM 1342 O LYS A 86 -11.225 -0.015 13.164 1.00 0.00 O ATOM 1343 CB LYS A 86 -9.262 2.688 11.825 1.00 0.00 C ATOM 1344 CG LYS A 86 -10.055 3.597 12.760 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.523 5.039 12.855 1.00 0.00 C ATOM 1346 CE LYS A 86 -9.839 5.965 11.667 1.00 0.00 C ATOM 1347 NZ LYS A 86 -9.061 5.663 10.445 1.00 0.00 N ATOM 0 H LYS A 86 -8.925 0.100 10.571 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.090 1.186 13.310 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.213 2.985 11.824 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.626 2.802 10.804 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.091 3.627 12.423 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.057 3.158 13.758 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.928 5.493 13.759 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.441 4.996 12.976 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.902 5.893 11.436 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.646 6.996 11.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.004 6.515 9.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.102 5.361 10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.530 4.901 9.914 1.00 0.00 H new ATOM 1361 N LYS A 87 -11.591 0.934 11.163 1.00 0.00 N ATOM 1362 CA LYS A 87 -12.969 0.454 11.070 1.00 0.00 C ATOM 1363 C LYS A 87 -13.504 0.491 9.634 1.00 0.00 C ATOM 1364 O LYS A 87 -13.918 -0.540 9.110 1.00 0.00 O ATOM 1365 CB LYS A 87 -13.878 1.250 12.027 1.00 0.00 C ATOM 1366 CG LYS A 87 -15.224 0.564 12.305 1.00 0.00 C ATOM 1367 CD LYS A 87 -15.050 -0.772 13.052 1.00 0.00 C ATOM 1368 CE LYS A 87 -15.238 -1.989 12.128 1.00 0.00 C ATOM 1369 NZ LYS A 87 -14.682 -3.224 12.719 1.00 0.00 N ATOM 0 H LYS A 87 -11.283 1.485 10.362 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.973 -0.593 11.374 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.354 1.401 12.971 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.063 2.237 11.603 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.854 1.229 12.895 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.742 0.387 11.362 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.057 -0.809 13.499 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.769 -0.825 13.869 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.300 -2.130 11.926 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.754 -1.796 11.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.830 -4.019 12.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.663 -3.100 12.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.161 -3.424 13.620 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.539 1.684 9.034 1.00 0.00 N ATOM 1384 CA LYS A 88 -13.892 1.894 7.631 1.00 0.00 C ATOM 1385 C LYS A 88 -13.216 3.165 7.127 1.00 0.00 C ATOM 1386 O LYS A 88 -12.629 3.166 6.053 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.415 1.922 7.411 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.780 2.199 5.934 1.00 0.00 C ATOM 1389 CD LYS A 88 -16.055 3.692 5.655 1.00 0.00 C ATOM 1390 CE LYS A 88 -15.324 4.281 4.435 1.00 0.00 C ATOM 1391 NZ LYS A 88 -15.819 3.813 3.125 1.00 0.00 N ATOM 0 H LYS A 88 -13.317 2.550 9.524 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.527 1.047 7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -15.844 0.968 7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.859 2.690 8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -14.966 1.858 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.661 1.616 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.128 3.826 5.514 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.775 4.267 6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -15.406 5.367 4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -14.264 4.039 4.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.268 4.262 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.716 2.780 3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -16.822 4.067 3.022 1.00 0.00 H new ATOM 1405 N THR A 89 -13.299 4.262 7.889 1.00 0.00 N ATOM 1406 CA THR A 89 -12.723 5.547 7.516 1.00 0.00 C ATOM 1407 C THR A 89 -11.275 5.405 7.042 1.00 0.00 C ATOM 1408 O THR A 89 -10.893 6.022 6.056 1.00 0.00 O ATOM 1409 CB THR A 89 -12.839 6.497 8.713 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.121 6.322 9.287 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.621 7.958 8.307 1.00 0.00 C ATOM 0 H THR A 89 -13.775 4.276 8.791 1.00 0.00 H new ATOM 0 HA THR A 89 -13.275 5.959 6.671 1.00 0.00 H new ATOM 0 HB THR A 89 -12.061 6.259 9.438 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.219 6.919 10.058 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.712 8.597 9.185 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.626 8.072 7.877 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.370 8.246 7.569 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.488 4.573 7.732 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.174 4.109 7.301 1.00 0.00 C ATOM 1421 C GLU A 90 -9.085 3.785 5.812 1.00 0.00 C ATOM 1422 O GLU A 90 -8.189 4.269 5.132 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.767 2.879 8.115 1.00 0.00 C ATOM 1424 CG GLU A 90 -9.834 1.789 8.360 1.00 0.00 C ATOM 1425 CD GLU A 90 -9.973 0.786 7.230 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -8.929 0.385 6.680 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -11.141 0.473 6.939 1.00 0.00 O ATOM 0 H GLU A 90 -10.762 4.193 8.638 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.489 4.938 7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.920 2.411 7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.412 3.223 9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.586 1.254 9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.798 2.271 8.523 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.017 2.980 5.315 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.048 2.532 3.929 1.00 0.00 C ATOM 1436 C ARG A 91 -10.082 3.727 2.976 1.00 0.00 C ATOM 1437 O ARG A 91 -9.695 3.616 1.818 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.277 1.642 3.703 1.00 0.00 C ATOM 1439 CG ARG A 91 -11.162 0.831 2.408 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.511 0.189 2.090 1.00 0.00 C ATOM 1441 NE ARG A 91 -12.414 -0.629 0.877 1.00 0.00 N ATOM 1442 CZ ARG A 91 -13.263 -1.616 0.570 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -14.405 -1.778 1.236 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -12.916 -2.514 -0.346 1.00 0.00 N ATOM 0 H ARG A 91 -10.787 2.614 5.875 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.144 1.958 3.725 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.394 0.963 4.548 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.173 2.262 3.665 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.852 1.478 1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.397 0.062 2.514 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.834 -0.429 2.928 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.267 0.963 1.955 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.652 -0.433 0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.646 -1.143 1.997 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.038 -2.537 0.985 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.009 -2.447 -0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.556 -3.270 -0.587 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.569 4.868 3.460 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.643 6.101 2.734 1.00 0.00 C ATOM 1460 C GLU A 92 -9.346 6.876 2.998 1.00 0.00 C ATOM 1461 O GLU A 92 -8.674 7.319 2.076 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.914 6.808 3.248 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.742 7.395 2.103 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.510 6.314 1.344 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.220 5.526 2.011 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -13.385 6.301 0.106 1.00 0.00 O ATOM 0 H GLU A 92 -10.934 4.945 4.409 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.721 5.991 1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.522 6.099 3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.633 7.604 3.938 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.444 8.128 2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.085 7.925 1.414 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.023 7.065 4.278 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.948 7.902 4.797 1.00 0.00 C ATOM 1475 C ASP A 93 -6.586 7.486 4.264 1.00 0.00 C ATOM 1476 O ASP A 93 -5.878 8.293 3.678 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.949 7.879 6.341 1.00 0.00 C ATOM 1478 CG ASP A 93 -7.819 9.248 6.975 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -7.470 10.207 6.248 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -8.122 9.308 8.185 1.00 0.00 O ATOM 0 H ASP A 93 -9.542 6.606 5.027 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.134 8.919 4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.873 7.415 6.687 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.128 7.250 6.686 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.216 6.222 4.457 1.00 0.00 N ATOM 1486 CA LEU A 94 -4.971 5.647 3.963 1.00 0.00 C ATOM 1487 C LEU A 94 -4.832 5.908 2.471 1.00 0.00 C ATOM 1488 O LEU A 94 -3.828 6.441 2.000 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.977 4.133 4.228 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.454 3.760 5.620 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -2.937 3.716 5.546 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.816 4.739 6.735 1.00 0.00 C ATOM 0 H LEU A 94 -6.789 5.555 4.974 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.129 6.107 4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.993 3.755 4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.367 3.636 3.473 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.922 2.808 5.872 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.533 3.453 6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.630 2.970 4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.559 4.694 5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.400 4.386 7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.406 5.722 6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.900 4.809 6.820 1.00 0.00 H new ATOM 1504 N ILE A 95 -5.880 5.567 1.733 1.00 0.00 N ATOM 1505 CA ILE A 95 -5.901 5.694 0.290 1.00 0.00 C ATOM 1506 C ILE A 95 -5.910 7.174 -0.112 1.00 0.00 C ATOM 1507 O ILE A 95 -5.674 7.487 -1.276 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.091 4.882 -0.260 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.100 3.445 0.306 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.106 4.836 -1.796 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -5.761 2.718 0.198 1.00 0.00 C ATOM 0 H ILE A 95 -6.743 5.192 2.126 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.998 5.279 -0.157 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.992 5.399 0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.396 3.482 1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.858 2.865 -0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.963 4.253 -2.134 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.179 5.850 -2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.187 4.373 -2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.856 1.717 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.470 2.646 -0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.001 3.272 0.748 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.130 8.097 0.836 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.185 9.515 0.552 1.00 0.00 C ATOM 1525 C ALA A 96 -4.803 10.104 0.831 1.00 0.00 C ATOM 1526 O ALA A 96 -4.310 10.919 0.054 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.313 10.147 1.369 1.00 0.00 C ATOM 0 H ALA A 96 -6.274 7.867 1.819 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.419 9.722 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.359 11.216 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.262 9.683 1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.123 9.994 2.431 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.136 9.631 1.892 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.732 9.908 2.103 1.00 0.00 C ATOM 1535 C TYR A 97 -1.948 9.445 0.899 1.00 0.00 C ATOM 1536 O TYR A 97 -1.225 10.241 0.322 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.156 9.212 3.338 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.624 9.234 3.400 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.093 10.351 2.927 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.097 8.123 3.873 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.492 10.404 3.021 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.504 8.150 3.914 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.207 9.295 3.496 1.00 0.00 C ATOM 1544 OH TYR A 97 3.543 9.451 3.727 1.00 0.00 O ATOM 0 H TYR A 97 -4.561 9.051 2.616 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.648 10.984 2.257 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.554 9.691 4.233 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.497 8.177 3.353 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.442 11.179 2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.432 7.243 4.207 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.019 11.300 2.727 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.047 7.286 4.269 1.00 0.00 H new ATOM 0 HH TYR A 97 4.035 8.712 3.312 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.026 8.165 0.538 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.125 7.655 -0.487 1.00 0.00 C ATOM 1556 C LEU A 98 -1.294 8.395 -1.807 1.00 0.00 C ATOM 1557 O LEU A 98 -0.335 8.533 -2.560 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.236 6.140 -0.633 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.855 5.436 0.676 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.015 3.929 0.476 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.569 5.746 1.157 1.00 0.00 C ATOM 0 H LEU A 98 -2.680 7.485 0.925 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.105 7.854 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.255 5.871 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.584 5.799 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.521 5.812 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.749 3.409 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.050 3.704 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.361 3.597 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.763 5.212 2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.286 5.429 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.671 6.818 1.326 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.487 8.940 -2.033 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.815 9.726 -3.212 1.00 0.00 C ATOM 1575 C LYS A 99 -1.914 10.955 -3.346 1.00 0.00 C ATOM 1576 O LYS A 99 -1.697 11.445 -4.452 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.298 10.121 -3.155 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.023 9.666 -4.419 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.504 10.049 -4.330 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.218 9.502 -5.568 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.651 9.845 -5.608 1.00 0.00 N ATOM 0 H LYS A 99 -3.268 8.843 -1.384 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.638 9.119 -4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.766 9.672 -2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.388 11.202 -3.046 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.570 10.128 -5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.923 8.587 -4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.948 9.639 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.613 11.132 -4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.732 9.892 -6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.109 8.418 -5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.068 9.491 -6.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.135 9.408 -4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.762 10.878 -5.562 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.407 11.445 -2.214 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.442 12.518 -2.131 1.00 0.00 C ATOM 1597 C LYS A 100 0.945 11.987 -1.776 1.00 0.00 C ATOM 1598 O LYS A 100 1.902 12.626 -2.162 1.00 0.00 O ATOM 1599 CB LYS A 100 -0.903 13.637 -1.185 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.889 13.286 0.311 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.882 14.584 1.124 1.00 0.00 C ATOM 1602 CE LYS A 100 -0.584 14.350 2.611 1.00 0.00 C ATOM 1603 NZ LYS A 100 -0.120 15.599 3.244 1.00 0.00 N ATOM 0 H LYS A 100 -1.675 11.084 -1.298 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.368 12.970 -3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.266 14.507 -1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.916 13.929 -1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.763 12.686 0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.010 12.687 0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.136 15.263 0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.850 15.075 1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.480 13.990 3.116 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.176 13.576 2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.337 15.574 4.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.907 15.695 3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.602 16.410 2.807 1.00 0.00 H new ATOM 1617 N ALA A 101 1.096 10.850 -1.080 1.00 0.00 N ATOM 1618 CA ALA A 101 2.400 10.276 -0.730 1.00 0.00 C ATOM 1619 C ALA A 101 3.236 10.079 -1.976 1.00 0.00 C ATOM 1620 O ALA A 101 4.423 10.393 -2.014 1.00 0.00 O ATOM 1621 CB ALA A 101 2.253 8.939 -0.007 1.00 0.00 C ATOM 0 H ALA A 101 0.307 10.299 -0.742 1.00 0.00 H new ATOM 0 HA ALA A 101 2.894 10.978 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.240 8.546 0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.684 9.083 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.729 8.233 -0.651 1.00 0.00 H new ATOM 1627 N THR A 102 2.577 9.573 -3.014 1.00 0.00 N ATOM 1628 CA THR A 102 3.188 9.317 -4.297 1.00 0.00 C ATOM 1629 C THR A 102 3.705 10.607 -4.955 1.00 0.00 C ATOM 1630 O THR A 102 4.440 10.534 -5.936 1.00 0.00 O ATOM 1631 CB THR A 102 2.138 8.578 -5.126 1.00 0.00 C ATOM 1632 OG1 THR A 102 0.914 9.288 -5.109 1.00 0.00 O ATOM 1633 CG2 THR A 102 1.884 7.209 -4.477 1.00 0.00 C ATOM 0 H THR A 102 1.587 9.328 -2.978 1.00 0.00 H new ATOM 0 HA THR A 102 4.082 8.701 -4.202 1.00 0.00 H new ATOM 0 HB THR A 102 2.498 8.479 -6.150 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.368 8.980 -4.356 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.136 6.666 -5.055 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.812 6.638 -4.457 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.523 7.351 -3.458 1.00 0.00 H new ATOM 1641 N ASN A 103 3.318 11.774 -4.424 1.00 0.00 N ATOM 1642 CA ASN A 103 3.763 13.089 -4.863 1.00 0.00 C ATOM 1643 C ASN A 103 3.881 14.093 -3.692 1.00 0.00 C ATOM 1644 O ASN A 103 3.544 15.260 -3.879 1.00 0.00 O ATOM 1645 CB ASN A 103 2.766 13.565 -5.935 1.00 0.00 C ATOM 1646 CG ASN A 103 3.232 14.787 -6.720 1.00 0.00 C ATOM 1647 OD1 ASN A 103 2.543 15.800 -6.783 1.00 0.00 O ATOM 1648 ND2 ASN A 103 4.374 14.683 -7.395 1.00 0.00 N ATOM 0 H ASN A 103 2.660 11.822 -3.646 1.00 0.00 H new ATOM 0 HA ASN A 103 4.769 13.026 -5.278 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.581 12.748 -6.632 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.815 13.796 -5.455 1.00 0.00 H new ATOM 0 HD21 ASN A 103 4.693 15.455 -7.980 1.00 0.00 H new ATOM 0 HD22 ASN A 103 4.931 13.831 -7.327 1.00 0.00 H new ATOM 1655 N GLU A 104 4.336 13.663 -2.502 1.00 0.00 N ATOM 1656 CA GLU A 104 4.644 14.577 -1.394 1.00 0.00 C ATOM 1657 C GLU A 104 6.059 15.127 -1.620 1.00 0.00 C ATOM 1658 O GLU A 104 6.824 14.471 -2.365 1.00 0.00 O ATOM 1659 CB GLU A 104 4.535 13.903 -0.001 1.00 0.00 C ATOM 1660 CG GLU A 104 3.109 13.779 0.591 1.00 0.00 C ATOM 1661 CD GLU A 104 2.878 14.452 1.945 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.268 13.845 2.969 1.00 0.00 O ATOM 1663 OE2 GLU A 104 2.165 15.479 1.982 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.359 16.187 -1.030 1.00 0.00 O ATOM 0 H GLU A 104 4.499 12.680 -2.285 1.00 0.00 H new ATOM 0 HA GLU A 104 3.906 15.379 -1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.965 12.904 -0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.149 14.467 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.403 14.200 -0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.870 12.720 0.690 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.736 -3.281 2.800 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.651 -4.614 -0.363 1.00 0.00 C HETATM 1674 CHB HEC A 105 -0.076 -0.826 1.328 1.00 0.00 C HETATM 1675 CHC HEC A 105 0.841 -2.244 5.940 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.810 -5.688 4.269 1.00 0.00 C HETATM 1677 NA HEC A 105 1.306 -2.843 0.839 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.787 -3.497 -0.284 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.277 -2.774 -1.428 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.484 -1.747 -0.962 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.547 -1.764 0.483 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.304 -0.786 -1.826 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.563 -3.054 -2.885 1.00 0.00 C HETATM 1684 CBA HEC A 105 2.492 -2.036 -3.558 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.943 -2.187 -3.160 1.00 0.00 C HETATM 1686 O1A HEC A 105 4.766 -2.349 -4.088 1.00 0.00 O HETATM 1687 O2A HEC A 105 4.201 -2.098 -1.941 1.00 0.00 O HETATM 1688 NB HEC A 105 0.603 -1.780 3.515 1.00 0.00 N HETATM 1689 C1B HEC A 105 -0.045 -0.878 2.737 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.702 0.054 3.635 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.506 -0.401 4.931 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.368 -1.540 4.837 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.431 1.309 3.216 1.00 0.00 C HETATM 1694 CAB HEC A 105 -1.195 0.019 6.226 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.721 0.047 6.122 1.00 0.00 C HETATM 1696 NC HEC A 105 2.203 -3.883 4.743 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.716 -3.298 5.854 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.308 -3.933 7.002 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.226 -4.837 6.528 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.088 -4.850 5.091 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.065 -3.552 8.437 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.358 -5.480 7.303 1.00 0.00 C HETATM 1703 CBC HEC A 105 3.953 -6.653 8.193 1.00 0.00 C HETATM 1704 ND HEC A 105 3.004 -4.888 2.076 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.747 -5.686 2.885 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.495 -6.597 2.058 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.151 -6.343 0.751 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.211 -5.231 0.762 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.521 -7.606 2.531 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.775 -7.061 -0.431 1.00 0.00 C HETATM 1711 CBD HEC A 105 4.478 -8.571 -0.496 1.00 0.00 C HETATM 1712 CGD HEC A 105 3.179 -8.937 -1.188 1.00 0.00 C HETATM 1713 O1D HEC A 105 2.697 -10.049 -0.881 1.00 0.00 O HETATM 1714 O2D HEC A 105 2.705 -8.140 -2.017 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.334 -7.087 3.039 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 5.051 -8.307 3.221 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.917 -8.151 1.674 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.369 -2.517 8.595 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.005 -3.658 8.667 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.645 -4.204 9.090 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.742 1.974 2.696 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.254 1.047 2.551 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.824 1.813 4.099 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.378 -0.242 -2.480 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -1.020 -1.343 -2.431 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.838 -0.080 -1.191 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 5.300 -9.066 -1.013 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 4.456 -8.966 0.520 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.225 -6.316 8.931 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.511 -7.439 7.580 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 4.833 -7.043 8.704 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -3.020 0.754 5.349 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -3.086 -0.947 5.865 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -3.145 0.354 7.078 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 2.408 -2.139 -4.640 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 2.158 -1.029 -3.307 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 4.421 -6.595 -1.350 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.855 -6.918 -0.397 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 2.008 -4.045 -2.971 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 0.619 -3.080 -3.429 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.480 -6.405 4.743 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.497 -1.941 6.929 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.619 -0.004 0.862 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.893 -5.014 -1.348 1.00 0.00 H new HETATM 0 H2A HEC A 105 4.948 -1.477 -1.809 1.00 0.00 H new