USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=24 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 58 THR OG1 : rot 180:sc= -0.271 USER MOD Set 1.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 52 ASN : amide:sc= -1.45 K(o=-1.5,f=-2) USER MOD Set 2.2: A 78 THR OG1 : rot 122:sc= -0.0196 USER MOD Set 3.1: A 19 THR OG1 : rot 21:sc= 0.0223 USER MOD Set 3.2: A 31 ASN : amide:sc=-0.00193 K(o=0.02,f=-4.6!) USER MOD Single : A 1 GLY N :NH3+ -161:sc= -1.7! (180deg=-2.8!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= 1.19 (180deg=1.01) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.123 K(o=-0.12,f=-3.8!) USER MOD Single : A 13 LYS NZ :NH3+ 169:sc= 1.11 (180deg=1.04) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0288) USER MOD Single : A 26 HIS : no HD1:sc= -0.0161 X(o=-0.016,f=-0.016) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00641 USER MOD Single : A 33 HIS : no HD1:sc= -0.155 X(o=-0.16,f=-0.6) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -104:sc= 1.17 USER MOD Single : A 42 GLN : amide:sc= -0.116 K(o=-0.12,f=-4.2!) USER MOD Single : A 47 THR OG1 : rot 140:sc= 0.223 USER MOD Single : A 48 TYR OH : rot 165:sc= 0.385 USER MOD Single : A 49 THR OG1 : rot 170:sc= 0.107 USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.135) USER MOD Single : A 54 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.014) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -170:sc= -0.0348 USER MOD Single : A 65 MET CE :methyl -175:sc= -0.0767 (180deg=-0.15) USER MOD Single : A 67 TYR OH : rot 165:sc= 0.137 USER MOD Single : A 70 ASN : amide:sc= -0.139 K(o=-0.14,f=-0.81) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0819) USER MOD Single : A 74 TYR OH : rot 0:sc= -0.421 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.197 (180deg=-0.197) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0681 USER MOD Single : A 97 TYR OH : rot 165:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -137:sc= -0.013 (180deg=-0.909) USER MOD Single : A 100 LYS NZ :NH3+ -149:sc= 0.946 (180deg=-1.32!) USER MOD Single : A 102 THR OG1 : rot -120:sc= 0.632 USER MOD Single : A 103 ASN : amide:sc= 0.0463 K(o=0.046,f=-2.3!) USER MOD Single : A 105 HEC O2A : rot 168:sc= 0.222 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.162 10.038 3.493 1.00 0.00 N ATOM 2 CA GLY A 1 -10.813 10.533 4.813 1.00 0.00 C ATOM 3 C GLY A 1 -9.804 11.634 4.542 1.00 0.00 C ATOM 4 O GLY A 1 -9.831 12.157 3.426 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.062 9.519 3.544 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.261 10.839 2.837 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.414 9.401 3.152 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.688 10.915 5.339 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.386 9.745 5.434 1.00 0.00 H new ATOM 10 N ASP A 2 -8.942 11.966 5.491 1.00 0.00 N ATOM 11 CA ASP A 2 -8.016 13.088 5.373 1.00 0.00 C ATOM 12 C ASP A 2 -6.602 12.605 5.093 1.00 0.00 C ATOM 13 O ASP A 2 -6.200 11.523 5.513 1.00 0.00 O ATOM 14 CB ASP A 2 -8.032 13.960 6.637 1.00 0.00 C ATOM 15 CG ASP A 2 -9.197 14.934 6.643 1.00 0.00 C ATOM 16 OD1 ASP A 2 -9.264 15.726 5.679 1.00 0.00 O ATOM 17 OD2 ASP A 2 -9.976 14.881 7.616 1.00 0.00 O ATOM 0 H ASP A 2 -8.863 11.461 6.374 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.350 13.695 4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.090 13.320 7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.096 14.514 6.707 1.00 0.00 H new ATOM 22 N VAL A 3 -5.818 13.454 4.430 1.00 0.00 N ATOM 23 CA VAL A 3 -4.386 13.250 4.260 1.00 0.00 C ATOM 24 C VAL A 3 -3.683 13.294 5.619 1.00 0.00 C ATOM 25 O VAL A 3 -2.789 12.492 5.879 1.00 0.00 O ATOM 26 CB VAL A 3 -3.807 14.256 3.241 1.00 0.00 C ATOM 27 CG1 VAL A 3 -4.258 15.710 3.458 1.00 0.00 C ATOM 28 CG2 VAL A 3 -2.273 14.227 3.230 1.00 0.00 C ATOM 0 H VAL A 3 -6.165 14.308 3.994 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.206 12.259 3.843 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.207 13.924 2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.805 16.348 2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.344 15.769 3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.945 16.044 4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.901 14.947 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.897 14.485 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.930 13.228 2.961 1.00 0.00 H new ATOM 38 N GLU A 4 -4.093 14.227 6.482 1.00 0.00 N ATOM 39 CA GLU A 4 -3.501 14.446 7.793 1.00 0.00 C ATOM 40 C GLU A 4 -3.694 13.209 8.662 1.00 0.00 C ATOM 41 O GLU A 4 -2.728 12.643 9.173 1.00 0.00 O ATOM 42 CB GLU A 4 -4.095 15.708 8.432 1.00 0.00 C ATOM 43 CG GLU A 4 -3.465 16.981 7.843 1.00 0.00 C ATOM 44 CD GLU A 4 -2.141 17.326 8.518 1.00 0.00 C ATOM 45 OE1 GLU A 4 -2.171 17.584 9.738 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.103 17.287 7.820 1.00 0.00 O ATOM 0 H GLU A 4 -4.864 14.863 6.279 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.428 14.609 7.693 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.173 15.726 8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.932 15.684 9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.302 16.844 6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.158 17.815 7.956 1.00 0.00 H new ATOM 53 N LYS A 5 -4.946 12.770 8.787 1.00 0.00 N ATOM 54 CA LYS A 5 -5.254 11.526 9.468 1.00 0.00 C ATOM 55 C LYS A 5 -4.544 10.384 8.758 1.00 0.00 C ATOM 56 O LYS A 5 -3.876 9.595 9.415 1.00 0.00 O ATOM 57 CB LYS A 5 -6.765 11.291 9.480 1.00 0.00 C ATOM 58 CG LYS A 5 -7.452 12.109 10.581 1.00 0.00 C ATOM 59 CD LYS A 5 -7.807 11.173 11.745 1.00 0.00 C ATOM 60 CE LYS A 5 -8.341 11.960 12.949 1.00 0.00 C ATOM 61 NZ LYS A 5 -9.015 11.078 13.921 1.00 0.00 N ATOM 0 H LYS A 5 -5.761 13.263 8.422 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.910 11.579 10.501 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.184 11.560 8.510 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.968 10.231 9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.793 12.906 10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.352 12.585 10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.555 10.451 11.419 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.924 10.606 12.041 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.517 12.479 13.439 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.039 12.723 12.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.363 11.644 14.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.816 10.601 13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.342 10.365 14.268 1.00 0.00 H new ATOM 75 N GLY A 6 -4.665 10.297 7.433 1.00 0.00 N ATOM 76 CA GLY A 6 -4.134 9.179 6.672 1.00 0.00 C ATOM 77 C GLY A 6 -2.661 8.965 6.980 1.00 0.00 C ATOM 78 O GLY A 6 -2.296 7.882 7.427 1.00 0.00 O ATOM 0 H GLY A 6 -5.134 11.001 6.863 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.694 8.274 6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.264 9.365 5.606 1.00 0.00 H new ATOM 82 N LYS A 7 -1.817 9.983 6.799 1.00 0.00 N ATOM 83 CA LYS A 7 -0.389 9.834 7.050 1.00 0.00 C ATOM 84 C LYS A 7 -0.086 9.420 8.484 1.00 0.00 C ATOM 85 O LYS A 7 0.807 8.606 8.718 1.00 0.00 O ATOM 86 CB LYS A 7 0.421 11.025 6.531 1.00 0.00 C ATOM 87 CG LYS A 7 0.184 12.274 7.356 1.00 0.00 C ATOM 88 CD LYS A 7 0.850 13.508 6.725 1.00 0.00 C ATOM 89 CE LYS A 7 0.182 14.766 7.291 1.00 0.00 C ATOM 90 NZ LYS A 7 1.062 15.944 7.410 1.00 0.00 N ATOM 0 H LYS A 7 -2.098 10.911 6.482 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.040 8.991 6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.482 10.776 6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.154 11.220 5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.888 12.448 7.452 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.575 12.125 8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.918 13.515 6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.747 13.480 5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.664 15.027 6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.221 14.532 8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.487 16.789 7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.735 15.797 8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.585 16.078 6.521 1.00 0.00 H new ATOM 104 N LYS A 8 -0.854 9.939 9.439 1.00 0.00 N ATOM 105 CA LYS A 8 -0.634 9.646 10.843 1.00 0.00 C ATOM 106 C LYS A 8 -0.927 8.176 11.097 1.00 0.00 C ATOM 107 O LYS A 8 -0.092 7.456 11.637 1.00 0.00 O ATOM 108 CB LYS A 8 -1.527 10.542 11.725 1.00 0.00 C ATOM 109 CG LYS A 8 -0.741 11.630 12.468 1.00 0.00 C ATOM 110 CD LYS A 8 -0.332 11.194 13.884 1.00 0.00 C ATOM 111 CE LYS A 8 0.572 9.948 13.898 1.00 0.00 C ATOM 112 NZ LYS A 8 1.187 9.706 15.220 1.00 0.00 N ATOM 0 H LYS A 8 -1.637 10.567 9.259 1.00 0.00 H new ATOM 0 HA LYS A 8 0.405 9.853 11.100 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.287 11.013 11.102 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.051 9.920 12.451 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.152 11.883 11.897 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.347 12.534 12.530 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.187 12.017 14.375 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.230 10.990 14.468 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.014 9.075 13.609 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.358 10.066 13.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.785 8.856 15.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.769 10.525 15.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.440 9.566 15.930 1.00 0.00 H new ATOM 126 N ILE A 9 -2.134 7.752 10.737 1.00 0.00 N ATOM 127 CA ILE A 9 -2.666 6.449 11.054 1.00 0.00 C ATOM 128 C ILE A 9 -1.851 5.415 10.286 1.00 0.00 C ATOM 129 O ILE A 9 -1.435 4.408 10.853 1.00 0.00 O ATOM 130 CB ILE A 9 -4.153 6.467 10.677 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.924 7.369 11.661 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.743 5.057 10.700 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.431 7.396 11.391 1.00 0.00 C ATOM 0 H ILE A 9 -2.781 8.330 10.201 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.594 6.191 12.111 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.247 6.860 9.665 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.749 7.020 12.679 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.531 8.384 11.600 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.798 5.100 10.429 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.210 4.428 9.987 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.642 4.637 11.701 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.919 8.048 12.116 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.614 7.772 10.384 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.835 6.387 11.480 1.00 0.00 H new ATOM 145 N PHE A 10 -1.607 5.693 9.004 1.00 0.00 N ATOM 146 CA PHE A 10 -0.693 4.936 8.173 1.00 0.00 C ATOM 147 C PHE A 10 0.602 4.713 8.939 1.00 0.00 C ATOM 148 O PHE A 10 0.886 3.589 9.336 1.00 0.00 O ATOM 149 CB PHE A 10 -0.453 5.699 6.859 1.00 0.00 C ATOM 150 CG PHE A 10 0.707 5.214 6.022 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.576 4.085 5.205 1.00 0.00 C ATOM 152 CD2 PHE A 10 1.974 5.778 6.222 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.725 3.470 4.681 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.123 5.111 5.793 1.00 0.00 C ATOM 155 CZ PHE A 10 2.995 3.963 5.004 1.00 0.00 C ATOM 0 H PHE A 10 -2.052 6.468 8.512 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.114 3.962 7.924 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.360 5.643 6.257 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.292 6.751 7.095 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.403 3.689 4.979 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.062 6.736 6.712 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.629 2.615 4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.101 5.478 6.068 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.878 3.456 4.643 1.00 0.00 H new ATOM 165 N VAL A 11 1.369 5.772 9.207 1.00 0.00 N ATOM 166 CA VAL A 11 2.635 5.620 9.889 1.00 0.00 C ATOM 167 C VAL A 11 2.454 4.802 11.179 1.00 0.00 C ATOM 168 O VAL A 11 3.254 3.916 11.464 1.00 0.00 O ATOM 169 CB VAL A 11 3.287 7.002 10.100 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.349 6.954 11.192 1.00 0.00 C ATOM 171 CG2 VAL A 11 3.940 7.562 8.826 1.00 0.00 C ATOM 0 H VAL A 11 1.130 6.732 8.961 1.00 0.00 H new ATOM 0 HA VAL A 11 3.330 5.048 9.275 1.00 0.00 H new ATOM 0 HB VAL A 11 2.469 7.661 10.391 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.789 7.944 11.316 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.892 6.640 12.130 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.127 6.244 10.912 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.380 8.536 9.041 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.718 6.879 8.486 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.185 7.669 8.047 1.00 0.00 H new ATOM 181 N GLN A 12 1.377 5.060 11.928 1.00 0.00 N ATOM 182 CA GLN A 12 1.078 4.355 13.167 1.00 0.00 C ATOM 183 C GLN A 12 1.000 2.826 12.995 1.00 0.00 C ATOM 184 O GLN A 12 1.396 2.126 13.924 1.00 0.00 O ATOM 185 CB GLN A 12 -0.173 4.968 13.826 1.00 0.00 C ATOM 186 CG GLN A 12 -0.162 4.955 15.364 1.00 0.00 C ATOM 187 CD GLN A 12 -0.715 3.685 16.004 1.00 0.00 C ATOM 188 OE1 GLN A 12 -1.306 2.837 15.346 1.00 0.00 O ATOM 189 NE2 GLN A 12 -0.573 3.572 17.322 1.00 0.00 N ATOM 0 H GLN A 12 0.686 5.770 11.685 1.00 0.00 H new ATOM 0 HA GLN A 12 1.916 4.496 13.849 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.278 5.998 13.486 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.052 4.426 13.478 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.863 5.099 15.706 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.740 5.806 15.723 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.076 4.293 17.845 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.961 2.764 17.809 1.00 0.00 H new ATOM 198 N LYS A 13 0.510 2.292 11.860 1.00 0.00 N ATOM 199 CA LYS A 13 0.396 0.837 11.675 1.00 0.00 C ATOM 200 C LYS A 13 0.763 0.316 10.273 1.00 0.00 C ATOM 201 O LYS A 13 0.347 -0.776 9.886 1.00 0.00 O ATOM 202 CB LYS A 13 -0.948 0.289 12.203 1.00 0.00 C ATOM 203 CG LYS A 13 -2.068 1.297 12.486 1.00 0.00 C ATOM 204 CD LYS A 13 -2.797 1.735 11.214 1.00 0.00 C ATOM 205 CE LYS A 13 -3.713 0.629 10.669 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.750 1.173 9.772 1.00 0.00 N ATOM 0 H LYS A 13 0.190 2.844 11.064 1.00 0.00 H new ATOM 0 HA LYS A 13 1.182 0.417 12.303 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.323 -0.434 11.479 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.748 -0.258 13.125 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.785 0.854 13.178 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.648 2.173 12.980 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.389 2.626 11.423 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.066 2.009 10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.115 -0.106 10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.188 0.107 11.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.228 0.391 9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.446 1.708 10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.308 1.804 9.073 1.00 0.00 H new ATOM 220 N CYS A 14 1.584 1.060 9.530 1.00 0.00 N ATOM 221 CA CYS A 14 2.067 0.683 8.204 1.00 0.00 C ATOM 222 C CYS A 14 3.579 0.943 8.113 1.00 0.00 C ATOM 223 O CYS A 14 4.320 0.121 7.577 1.00 0.00 O ATOM 224 CB CYS A 14 1.352 1.449 7.115 1.00 0.00 C ATOM 225 SG CYS A 14 -0.477 1.488 7.148 1.00 0.00 S ATOM 0 H CYS A 14 1.939 1.963 9.843 1.00 0.00 H new ATOM 0 HA CYS A 14 1.863 -0.378 8.059 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.708 2.479 7.143 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.659 1.031 6.156 1.00 0.00 H new ATOM 230 N ALA A 15 4.060 2.082 8.637 1.00 0.00 N ATOM 231 CA ALA A 15 5.461 2.494 8.522 1.00 0.00 C ATOM 232 C ALA A 15 6.458 1.439 8.970 1.00 0.00 C ATOM 233 O ALA A 15 7.536 1.361 8.392 1.00 0.00 O ATOM 234 CB ALA A 15 5.744 3.777 9.285 1.00 0.00 C ATOM 0 H ALA A 15 3.481 2.744 9.154 1.00 0.00 H new ATOM 0 HA ALA A 15 5.600 2.654 7.453 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.795 4.044 9.171 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.121 4.580 8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.520 3.629 10.341 1.00 0.00 H new ATOM 240 N GLN A 16 6.119 0.639 9.986 1.00 0.00 N ATOM 241 CA GLN A 16 6.945 -0.470 10.429 1.00 0.00 C ATOM 242 C GLN A 16 7.487 -1.283 9.246 1.00 0.00 C ATOM 243 O GLN A 16 8.622 -1.752 9.287 1.00 0.00 O ATOM 244 CB GLN A 16 6.124 -1.366 11.367 1.00 0.00 C ATOM 245 CG GLN A 16 7.058 -1.960 12.417 1.00 0.00 C ATOM 246 CD GLN A 16 6.384 -3.066 13.219 1.00 0.00 C ATOM 247 OE1 GLN A 16 5.556 -2.799 14.082 1.00 0.00 O ATOM 248 NE2 GLN A 16 6.732 -4.321 12.946 1.00 0.00 N ATOM 0 H GLN A 16 5.258 0.750 10.522 1.00 0.00 H new ATOM 0 HA GLN A 16 7.806 -0.069 10.963 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.335 -0.788 11.847 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.638 -2.160 10.801 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.948 -2.357 11.928 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.391 -1.173 13.093 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.424 -4.512 12.222 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.306 -5.092 13.461 1.00 0.00 H new ATOM 257 N CYS A 17 6.656 -1.444 8.211 1.00 0.00 N ATOM 258 CA CYS A 17 6.972 -2.148 6.987 1.00 0.00 C ATOM 259 C CYS A 17 7.223 -1.165 5.828 1.00 0.00 C ATOM 260 O CYS A 17 7.928 -1.518 4.886 1.00 0.00 O ATOM 261 CB CYS A 17 5.842 -3.100 6.686 1.00 0.00 C ATOM 262 SG CYS A 17 5.643 -4.350 8.003 1.00 0.00 S ATOM 0 H CYS A 17 5.708 -1.068 8.214 1.00 0.00 H new ATOM 0 HA CYS A 17 7.895 -2.714 7.109 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.914 -2.539 6.573 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.030 -3.599 5.736 1.00 0.00 H new ATOM 267 N HIS A 18 6.658 0.053 5.871 1.00 0.00 N ATOM 268 CA HIS A 18 6.625 0.977 4.736 1.00 0.00 C ATOM 269 C HIS A 18 7.052 2.393 5.120 1.00 0.00 C ATOM 270 O HIS A 18 6.194 3.253 5.317 1.00 0.00 O ATOM 271 CB HIS A 18 5.182 1.042 4.235 1.00 0.00 C ATOM 272 CG HIS A 18 4.704 -0.226 3.615 1.00 0.00 C ATOM 273 ND1 HIS A 18 4.988 -0.604 2.330 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.696 -1.018 4.094 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.153 -1.608 2.043 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.367 -1.920 3.074 1.00 0.00 N ATOM 0 H HIS A 18 6.207 0.424 6.707 1.00 0.00 H new ATOM 0 HA HIS A 18 7.320 0.611 3.980 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.528 1.297 5.069 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.096 1.847 3.506 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.695 -0.201 1.715 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.241 -0.959 5.072 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.119 -2.109 1.087 1.00 0.00 H new ATOM 284 N THR A 19 8.344 2.712 5.182 1.00 0.00 N ATOM 285 CA THR A 19 8.749 4.016 5.685 1.00 0.00 C ATOM 286 C THR A 19 8.704 5.080 4.576 1.00 0.00 C ATOM 287 O THR A 19 9.737 5.620 4.183 1.00 0.00 O ATOM 288 CB THR A 19 10.113 3.891 6.368 1.00 0.00 C ATOM 289 OG1 THR A 19 11.046 3.260 5.511 1.00 0.00 O ATOM 290 CG2 THR A 19 10.027 3.063 7.653 1.00 0.00 C ATOM 0 H THR A 19 9.109 2.100 4.897 1.00 0.00 H new ATOM 0 HA THR A 19 8.041 4.363 6.438 1.00 0.00 H new ATOM 0 HB THR A 19 10.436 4.905 6.606 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.743 3.340 4.582 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.014 2.996 8.110 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.337 3.541 8.348 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.668 2.061 7.417 1.00 0.00 H new ATOM 298 N VAL A 20 7.501 5.383 4.065 1.00 0.00 N ATOM 299 CA VAL A 20 7.267 6.391 3.038 1.00 0.00 C ATOM 300 C VAL A 20 7.939 7.716 3.418 1.00 0.00 C ATOM 301 O VAL A 20 7.491 8.417 4.321 1.00 0.00 O ATOM 302 CB VAL A 20 5.762 6.563 2.733 1.00 0.00 C ATOM 303 CG1 VAL A 20 5.096 5.229 2.400 1.00 0.00 C ATOM 304 CG2 VAL A 20 4.967 7.222 3.862 1.00 0.00 C ATOM 0 H VAL A 20 6.646 4.917 4.368 1.00 0.00 H new ATOM 0 HA VAL A 20 7.727 6.043 2.113 1.00 0.00 H new ATOM 0 HB VAL A 20 5.740 7.229 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.039 5.392 2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.575 4.792 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.198 4.550 3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.920 7.306 3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.044 6.614 4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.370 8.216 4.059 1.00 0.00 H new ATOM 314 N GLU A 21 9.040 8.032 2.737 1.00 0.00 N ATOM 315 CA GLU A 21 9.841 9.224 2.949 1.00 0.00 C ATOM 316 C GLU A 21 10.847 9.291 1.795 1.00 0.00 C ATOM 317 O GLU A 21 12.027 9.571 1.984 1.00 0.00 O ATOM 318 CB GLU A 21 10.479 9.190 4.356 1.00 0.00 C ATOM 319 CG GLU A 21 10.322 10.532 5.087 1.00 0.00 C ATOM 320 CD GLU A 21 10.487 10.386 6.597 1.00 0.00 C ATOM 321 OE1 GLU A 21 11.271 9.503 7.005 1.00 0.00 O ATOM 322 OE2 GLU A 21 9.817 11.158 7.316 1.00 0.00 O ATOM 0 H GLU A 21 9.408 7.437 1.995 1.00 0.00 H new ATOM 0 HA GLU A 21 9.249 10.139 2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.016 8.399 4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.538 8.945 4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.060 11.239 4.709 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.339 10.950 4.869 1.00 0.00 H new ATOM 329 N LYS A 22 10.339 9.002 0.585 1.00 0.00 N ATOM 330 CA LYS A 22 11.040 9.037 -0.695 1.00 0.00 C ATOM 331 C LYS A 22 12.530 8.673 -0.600 1.00 0.00 C ATOM 332 O LYS A 22 13.398 9.463 -0.969 1.00 0.00 O ATOM 333 CB LYS A 22 10.767 10.373 -1.404 1.00 0.00 C ATOM 334 CG LYS A 22 10.812 11.561 -0.433 1.00 0.00 C ATOM 335 CD LYS A 22 10.887 12.896 -1.180 1.00 0.00 C ATOM 336 CE LYS A 22 12.344 13.202 -1.557 1.00 0.00 C ATOM 337 NZ LYS A 22 12.449 14.432 -2.364 1.00 0.00 N ATOM 0 H LYS A 22 9.365 8.720 0.476 1.00 0.00 H new ATOM 0 HA LYS A 22 10.632 8.242 -1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.504 10.522 -2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.789 10.335 -1.885 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.926 11.547 0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.676 11.462 0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.271 12.855 -2.078 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.488 13.695 -0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.940 13.309 -0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.760 12.363 -2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.446 14.608 -2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.900 14.320 -3.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.075 15.236 -1.821 1.00 0.00 H new ATOM 351 N GLY A 23 12.800 7.453 -0.124 1.00 0.00 N ATOM 352 CA GLY A 23 14.139 6.898 0.023 1.00 0.00 C ATOM 353 C GLY A 23 14.337 6.298 1.415 1.00 0.00 C ATOM 354 O GLY A 23 15.337 6.571 2.070 1.00 0.00 O ATOM 0 H GLY A 23 12.068 6.810 0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.303 6.131 -0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.880 7.678 -0.149 1.00 0.00 H new ATOM 358 N GLY A 24 13.383 5.469 1.852 1.00 0.00 N ATOM 359 CA GLY A 24 13.453 4.753 3.116 1.00 0.00 C ATOM 360 C GLY A 24 14.149 3.412 2.920 1.00 0.00 C ATOM 361 O GLY A 24 15.357 3.359 2.695 1.00 0.00 O ATOM 0 H GLY A 24 12.531 5.278 1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.995 5.349 3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.449 4.596 3.510 1.00 0.00 H new ATOM 365 N LYS A 25 13.397 2.316 3.016 1.00 0.00 N ATOM 366 CA LYS A 25 13.953 0.970 2.989 1.00 0.00 C ATOM 367 C LYS A 25 12.878 -0.025 2.539 1.00 0.00 C ATOM 368 O LYS A 25 11.766 -0.002 3.054 1.00 0.00 O ATOM 369 CB LYS A 25 14.513 0.637 4.388 1.00 0.00 C ATOM 370 CG LYS A 25 15.872 -0.076 4.364 1.00 0.00 C ATOM 371 CD LYS A 25 15.751 -1.511 3.838 1.00 0.00 C ATOM 372 CE LYS A 25 17.051 -2.313 3.982 1.00 0.00 C ATOM 373 NZ LYS A 25 17.357 -2.637 5.391 1.00 0.00 N ATOM 0 H LYS A 25 12.382 2.340 3.115 1.00 0.00 H new ATOM 0 HA LYS A 25 14.771 0.903 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.609 1.561 4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.795 0.010 4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.566 0.484 3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.293 -0.091 5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.953 -2.023 4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.461 -1.484 2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.971 -3.236 3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.876 -1.743 3.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.186 -3.264 5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.560 -1.760 5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.540 -3.115 5.822 1.00 0.00 H new ATOM 387 N HIS A 26 13.215 -0.885 1.570 1.00 0.00 N ATOM 388 CA HIS A 26 12.369 -1.992 1.136 1.00 0.00 C ATOM 389 C HIS A 26 12.538 -3.205 2.062 1.00 0.00 C ATOM 390 O HIS A 26 13.114 -3.084 3.141 1.00 0.00 O ATOM 391 CB HIS A 26 12.682 -2.349 -0.323 1.00 0.00 C ATOM 392 CG HIS A 26 12.892 -1.174 -1.251 1.00 0.00 C ATOM 393 ND1 HIS A 26 14.111 -0.709 -1.696 1.00 0.00 N ATOM 394 CD2 HIS A 26 11.921 -0.445 -1.886 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.871 0.288 -2.566 1.00 0.00 C ATOM 396 NE2 HIS A 26 12.552 0.484 -2.718 1.00 0.00 N ATOM 0 H HIS A 26 14.097 -0.826 1.061 1.00 0.00 H new ATOM 0 HA HIS A 26 11.325 -1.684 1.195 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.578 -2.969 -0.343 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.865 -2.956 -0.713 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.855 -0.567 -1.765 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.637 0.855 -3.074 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.101 1.173 -3.320 1.00 0.00 H new ATOM 404 N LYS A 27 12.112 -4.385 1.589 1.00 0.00 N ATOM 405 CA LYS A 27 12.189 -5.676 2.266 1.00 0.00 C ATOM 406 C LYS A 27 11.002 -5.821 3.224 1.00 0.00 C ATOM 407 O LYS A 27 10.973 -5.206 4.283 1.00 0.00 O ATOM 408 CB LYS A 27 13.546 -5.923 2.965 1.00 0.00 C ATOM 409 CG LYS A 27 14.154 -7.297 2.643 1.00 0.00 C ATOM 410 CD LYS A 27 14.995 -7.217 1.359 1.00 0.00 C ATOM 411 CE LYS A 27 15.673 -8.561 1.051 1.00 0.00 C ATOM 412 NZ LYS A 27 16.677 -8.446 -0.030 1.00 0.00 N ATOM 0 H LYS A 27 11.680 -4.462 0.668 1.00 0.00 H new ATOM 0 HA LYS A 27 12.127 -6.456 1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.248 -5.144 2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.413 -5.836 4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.776 -7.631 3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.361 -8.035 2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.359 -6.928 0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.753 -6.441 1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.155 -8.938 1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.916 -9.291 0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.108 -9.376 -0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.214 -8.111 -0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.415 -7.770 0.252 1.00 0.00 H new ATOM 426 N THR A 28 10.031 -6.663 2.858 1.00 0.00 N ATOM 427 CA THR A 28 8.815 -6.901 3.634 1.00 0.00 C ATOM 428 C THR A 28 7.871 -5.694 3.562 1.00 0.00 C ATOM 429 O THR A 28 7.041 -5.520 4.443 1.00 0.00 O ATOM 430 CB THR A 28 9.146 -7.327 5.083 1.00 0.00 C ATOM 431 OG1 THR A 28 10.288 -8.165 5.074 1.00 0.00 O ATOM 432 CG2 THR A 28 8.016 -8.108 5.764 1.00 0.00 C ATOM 0 H THR A 28 10.071 -7.208 1.997 1.00 0.00 H new ATOM 0 HA THR A 28 8.280 -7.739 3.187 1.00 0.00 H new ATOM 0 HB THR A 28 9.308 -6.405 5.641 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.502 -8.436 5.991 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.317 -8.374 6.777 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.119 -7.490 5.803 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.808 -9.015 5.197 1.00 0.00 H new ATOM 440 N GLY A 29 7.965 -4.896 2.494 1.00 0.00 N ATOM 441 CA GLY A 29 7.183 -3.681 2.323 1.00 0.00 C ATOM 442 C GLY A 29 8.073 -2.676 1.600 1.00 0.00 C ATOM 443 O GLY A 29 9.148 -2.362 2.105 1.00 0.00 O ATOM 0 H GLY A 29 8.597 -5.084 1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.280 -3.881 1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.864 -3.289 3.289 1.00 0.00 H new ATOM 447 N PRO A 30 7.724 -2.226 0.386 1.00 0.00 N ATOM 448 CA PRO A 30 8.492 -1.209 -0.292 1.00 0.00 C ATOM 449 C PRO A 30 8.131 0.164 0.256 1.00 0.00 C ATOM 450 O PRO A 30 7.009 0.399 0.703 1.00 0.00 O ATOM 451 CB PRO A 30 8.123 -1.309 -1.772 1.00 0.00 C ATOM 452 CG PRO A 30 6.726 -1.923 -1.770 1.00 0.00 C ATOM 453 CD PRO A 30 6.613 -2.663 -0.436 1.00 0.00 C ATOM 0 HA PRO A 30 9.563 -1.349 -0.145 1.00 0.00 H new ATOM 0 HB2 PRO A 30 8.127 -0.330 -2.250 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.831 -1.933 -2.318 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.958 -1.154 -1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.595 -2.605 -2.610 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.663 -2.440 0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.647 -3.742 -0.589 1.00 0.00 H new ATOM 461 N ASN A 31 9.066 1.102 0.130 1.00 0.00 N ATOM 462 CA ASN A 31 8.731 2.512 0.176 1.00 0.00 C ATOM 463 C ASN A 31 7.751 2.791 -0.963 1.00 0.00 C ATOM 464 O ASN A 31 8.083 2.573 -2.128 1.00 0.00 O ATOM 465 CB ASN A 31 10.001 3.355 0.037 1.00 0.00 C ATOM 466 CG ASN A 31 10.428 3.904 1.385 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.847 3.154 2.258 1.00 0.00 O ATOM 468 ND2 ASN A 31 10.330 5.218 1.557 1.00 0.00 N ATOM 0 H ASN A 31 10.058 0.906 -0.004 1.00 0.00 H new ATOM 0 HA ASN A 31 8.271 2.774 1.128 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.802 2.748 -0.385 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.824 4.177 -0.657 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.609 5.639 2.443 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.975 5.806 0.803 1.00 0.00 H new ATOM 475 N LEU A 32 6.545 3.243 -0.619 1.00 0.00 N ATOM 476 CA LEU A 32 5.413 3.405 -1.523 1.00 0.00 C ATOM 477 C LEU A 32 5.601 4.636 -2.425 1.00 0.00 C ATOM 478 O LEU A 32 4.794 5.562 -2.396 1.00 0.00 O ATOM 479 CB LEU A 32 4.124 3.505 -0.683 1.00 0.00 C ATOM 480 CG LEU A 32 3.907 2.361 0.325 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.604 2.586 1.103 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.824 1.012 -0.396 1.00 0.00 C ATOM 0 H LEU A 32 6.324 3.517 0.338 1.00 0.00 H new ATOM 0 HA LEU A 32 5.341 2.542 -2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.136 4.449 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.270 3.538 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 32 4.754 2.351 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.459 1.772 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.661 3.532 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.765 2.614 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.671 0.218 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.990 1.025 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.752 0.832 -0.938 1.00 0.00 H new ATOM 494 N HIS A 33 6.677 4.649 -3.220 1.00 0.00 N ATOM 495 CA HIS A 33 7.154 5.814 -3.958 1.00 0.00 C ATOM 496 C HIS A 33 6.075 6.469 -4.820 1.00 0.00 C ATOM 497 O HIS A 33 5.856 7.672 -4.715 1.00 0.00 O ATOM 498 CB HIS A 33 8.369 5.431 -4.823 1.00 0.00 C ATOM 499 CG HIS A 33 9.704 5.766 -4.205 1.00 0.00 C ATOM 500 ND1 HIS A 33 10.799 4.933 -4.120 1.00 0.00 N ATOM 501 CD2 HIS A 33 10.106 7.013 -3.803 1.00 0.00 C ATOM 502 CE1 HIS A 33 11.829 5.664 -3.658 1.00 0.00 C ATOM 503 NE2 HIS A 33 11.453 6.934 -3.443 1.00 0.00 N ATOM 0 H HIS A 33 7.254 3.821 -3.369 1.00 0.00 H new ATOM 0 HA HIS A 33 7.446 6.556 -3.215 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.334 4.360 -5.024 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.290 5.938 -5.784 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.490 7.900 -3.770 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.824 5.281 -3.484 1.00 0.00 H new ATOM 0 HE2 HIS A 33 12.036 7.692 -3.087 1.00 0.00 H new ATOM 511 N GLY A 34 5.460 5.700 -5.722 1.00 0.00 N ATOM 512 CA GLY A 34 4.603 6.261 -6.759 1.00 0.00 C ATOM 513 C GLY A 34 3.519 5.280 -7.174 1.00 0.00 C ATOM 514 O GLY A 34 3.334 5.038 -8.362 1.00 0.00 O ATOM 0 H GLY A 34 5.543 4.684 -5.751 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.144 7.180 -6.396 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.206 6.527 -7.627 1.00 0.00 H new ATOM 518 N LEU A 35 2.830 4.705 -6.184 1.00 0.00 N ATOM 519 CA LEU A 35 1.812 3.677 -6.356 1.00 0.00 C ATOM 520 C LEU A 35 0.837 3.964 -7.494 1.00 0.00 C ATOM 521 O LEU A 35 0.591 3.090 -8.321 1.00 0.00 O ATOM 522 CB LEU A 35 1.008 3.521 -5.061 1.00 0.00 C ATOM 523 CG LEU A 35 1.773 2.858 -3.911 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.845 2.876 -2.692 1.00 0.00 C ATOM 525 CD2 LEU A 35 2.154 1.413 -4.253 1.00 0.00 C ATOM 0 H LEU A 35 2.975 4.956 -5.206 1.00 0.00 H new ATOM 0 HA LEU A 35 2.349 2.762 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.672 4.506 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.115 2.933 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 35 2.700 3.397 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.349 2.412 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.591 3.906 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.066 2.322 -2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.695 0.972 -3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.251 0.835 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.787 1.404 -5.140 1.00 0.00 H new ATOM 537 N PHE A 36 0.245 5.156 -7.521 1.00 0.00 N ATOM 538 CA PHE A 36 -0.890 5.421 -8.391 1.00 0.00 C ATOM 539 C PHE A 36 -0.380 5.609 -9.817 1.00 0.00 C ATOM 540 O PHE A 36 -0.036 6.724 -10.204 1.00 0.00 O ATOM 541 CB PHE A 36 -1.717 6.593 -7.847 1.00 0.00 C ATOM 542 CG PHE A 36 -2.433 6.277 -6.537 1.00 0.00 C ATOM 543 CD1 PHE A 36 -1.702 6.149 -5.341 1.00 0.00 C ATOM 544 CD2 PHE A 36 -3.812 5.993 -6.524 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.334 5.799 -4.137 1.00 0.00 C ATOM 546 CE2 PHE A 36 -4.434 5.617 -5.321 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.717 5.576 -4.121 1.00 0.00 C ATOM 0 H PHE A 36 0.534 5.950 -6.950 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.579 4.577 -8.413 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.061 7.451 -7.696 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.455 6.884 -8.594 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.636 6.323 -5.350 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.389 6.064 -7.434 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.758 5.702 -3.229 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.482 5.356 -5.323 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.225 5.374 -3.190 1.00 0.00 H new ATOM 557 N GLY A 37 -0.299 4.507 -10.574 1.00 0.00 N ATOM 558 CA GLY A 37 0.397 4.459 -11.861 1.00 0.00 C ATOM 559 C GLY A 37 1.516 3.405 -11.908 1.00 0.00 C ATOM 560 O GLY A 37 2.032 3.094 -12.980 1.00 0.00 O ATOM 0 H GLY A 37 -0.719 3.617 -10.306 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.325 4.247 -12.649 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.822 5.440 -12.073 1.00 0.00 H new ATOM 564 N ARG A 38 1.918 2.853 -10.761 1.00 0.00 N ATOM 565 CA ARG A 38 3.015 1.906 -10.642 1.00 0.00 C ATOM 566 C ARG A 38 2.595 0.559 -11.221 1.00 0.00 C ATOM 567 O ARG A 38 1.987 -0.246 -10.516 1.00 0.00 O ATOM 568 CB ARG A 38 3.369 1.750 -9.160 1.00 0.00 C ATOM 569 CG ARG A 38 4.626 0.921 -8.885 1.00 0.00 C ATOM 570 CD ARG A 38 5.927 1.700 -9.150 1.00 0.00 C ATOM 571 NE ARG A 38 6.945 1.358 -8.142 1.00 0.00 N ATOM 572 CZ ARG A 38 8.172 1.896 -8.054 1.00 0.00 C ATOM 573 NH1 ARG A 38 8.602 2.743 -8.997 1.00 0.00 N ATOM 574 NH2 ARG A 38 8.961 1.585 -7.018 1.00 0.00 N ATOM 0 H ARG A 38 1.473 3.062 -9.867 1.00 0.00 H new ATOM 0 HA ARG A 38 3.883 2.269 -11.192 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.502 2.741 -8.726 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.526 1.288 -8.646 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.614 0.585 -7.848 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.610 0.028 -9.509 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.301 1.467 -10.147 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.728 2.771 -9.126 1.00 0.00 H new ATOM 0 HE ARG A 38 6.696 0.651 -7.450 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.997 2.980 -9.783 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.534 3.151 -8.929 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.629 0.942 -6.299 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.894 1.991 -6.947 1.00 0.00 H new ATOM 588 N LYS A 39 2.954 0.306 -12.482 1.00 0.00 N ATOM 589 CA LYS A 39 2.780 -0.989 -13.128 1.00 0.00 C ATOM 590 C LYS A 39 3.336 -2.105 -12.233 1.00 0.00 C ATOM 591 O LYS A 39 4.545 -2.319 -12.146 1.00 0.00 O ATOM 592 CB LYS A 39 3.352 -0.964 -14.553 1.00 0.00 C ATOM 593 CG LYS A 39 4.878 -0.791 -14.657 1.00 0.00 C ATOM 594 CD LYS A 39 5.229 0.209 -15.768 1.00 0.00 C ATOM 595 CE LYS A 39 6.700 0.079 -16.193 1.00 0.00 C ATOM 596 NZ LYS A 39 7.107 1.158 -17.120 1.00 0.00 N ATOM 0 H LYS A 39 3.379 1.008 -13.088 1.00 0.00 H new ATOM 0 HA LYS A 39 1.720 -1.209 -13.250 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.075 -1.893 -15.052 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.875 -0.152 -15.102 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.276 -0.441 -13.705 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.346 -1.753 -14.864 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.583 0.040 -16.630 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.037 1.224 -15.420 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.336 0.102 -15.308 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.855 -0.888 -16.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.106 1.033 -17.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.518 1.121 -17.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.984 2.080 -16.655 1.00 0.00 H new ATOM 610 N THR A 40 2.435 -2.748 -11.495 1.00 0.00 N ATOM 611 CA THR A 40 2.717 -3.696 -10.451 1.00 0.00 C ATOM 612 C THR A 40 3.161 -5.012 -11.088 1.00 0.00 C ATOM 613 O THR A 40 3.015 -5.204 -12.293 1.00 0.00 O ATOM 614 CB THR A 40 1.391 -3.841 -9.707 1.00 0.00 C ATOM 615 OG1 THR A 40 0.833 -2.557 -9.452 1.00 0.00 O ATOM 616 CG2 THR A 40 1.518 -4.625 -8.408 1.00 0.00 C ATOM 0 H THR A 40 1.434 -2.604 -11.627 1.00 0.00 H new ATOM 0 HA THR A 40 3.515 -3.390 -9.775 1.00 0.00 H new ATOM 0 HB THR A 40 0.727 -4.414 -10.354 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.959 -2.327 -8.508 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.542 -4.693 -7.927 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.887 -5.628 -8.623 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.216 -4.116 -7.743 1.00 0.00 H new ATOM 624 N GLY A 41 3.672 -5.943 -10.285 1.00 0.00 N ATOM 625 CA GLY A 41 3.993 -7.264 -10.795 1.00 0.00 C ATOM 626 C GLY A 41 5.350 -7.262 -11.498 1.00 0.00 C ATOM 627 O GLY A 41 5.574 -8.005 -12.449 1.00 0.00 O ATOM 0 H GLY A 41 3.869 -5.806 -9.294 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.005 -7.982 -9.975 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.219 -7.588 -11.491 1.00 0.00 H new ATOM 631 N GLN A 42 6.257 -6.392 -11.043 1.00 0.00 N ATOM 632 CA GLN A 42 7.548 -6.168 -11.675 1.00 0.00 C ATOM 633 C GLN A 42 8.486 -5.616 -10.601 1.00 0.00 C ATOM 634 O GLN A 42 9.294 -6.363 -10.053 1.00 0.00 O ATOM 635 CB GLN A 42 7.348 -5.253 -12.905 1.00 0.00 C ATOM 636 CG GLN A 42 8.431 -5.408 -13.980 1.00 0.00 C ATOM 637 CD GLN A 42 9.737 -4.674 -13.684 1.00 0.00 C ATOM 638 OE1 GLN A 42 9.866 -3.966 -12.691 1.00 0.00 O ATOM 639 NE2 GLN A 42 10.717 -4.819 -14.571 1.00 0.00 N ATOM 0 H GLN A 42 6.107 -5.818 -10.213 1.00 0.00 H new ATOM 0 HA GLN A 42 8.007 -7.077 -12.063 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.376 -5.466 -13.350 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.326 -4.215 -12.573 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.648 -6.469 -14.107 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.035 -5.047 -14.929 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.581 -5.415 -15.388 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.604 -4.335 -14.434 1.00 0.00 H new ATOM 648 N ALA A 43 8.286 -4.343 -10.241 1.00 0.00 N ATOM 649 CA ALA A 43 8.941 -3.631 -9.156 1.00 0.00 C ATOM 650 C ALA A 43 10.458 -3.447 -9.354 1.00 0.00 C ATOM 651 O ALA A 43 11.224 -4.388 -9.167 1.00 0.00 O ATOM 652 CB ALA A 43 8.610 -4.311 -7.837 1.00 0.00 C ATOM 0 H ALA A 43 7.618 -3.752 -10.736 1.00 0.00 H new ATOM 0 HA ALA A 43 8.548 -2.614 -9.147 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.100 -3.780 -7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.531 -4.299 -7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.962 -5.342 -7.861 1.00 0.00 H new ATOM 658 N PRO A 44 10.925 -2.229 -9.683 1.00 0.00 N ATOM 659 CA PRO A 44 12.321 -1.990 -10.031 1.00 0.00 C ATOM 660 C PRO A 44 13.277 -1.998 -8.835 1.00 0.00 C ATOM 661 O PRO A 44 14.478 -2.158 -9.027 1.00 0.00 O ATOM 662 CB PRO A 44 12.326 -0.640 -10.756 1.00 0.00 C ATOM 663 CG PRO A 44 11.148 0.100 -10.126 1.00 0.00 C ATOM 664 CD PRO A 44 10.138 -1.020 -9.879 1.00 0.00 C ATOM 0 HA PRO A 44 12.697 -2.802 -10.654 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.264 -0.106 -10.605 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.197 -0.760 -11.832 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.433 0.600 -9.200 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.749 0.865 -10.791 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.524 -0.807 -9.004 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.460 -1.128 -10.725 1.00 0.00 H new ATOM 672 N GLY A 45 12.768 -1.785 -7.619 1.00 0.00 N ATOM 673 CA GLY A 45 13.601 -1.588 -6.436 1.00 0.00 C ATOM 674 C GLY A 45 13.689 -2.836 -5.557 1.00 0.00 C ATOM 675 O GLY A 45 14.762 -3.224 -5.104 1.00 0.00 O ATOM 0 H GLY A 45 11.767 -1.745 -7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.604 -1.298 -6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.199 -0.763 -5.848 1.00 0.00 H new ATOM 679 N PHE A 46 12.536 -3.440 -5.277 1.00 0.00 N ATOM 680 CA PHE A 46 12.357 -4.628 -4.458 1.00 0.00 C ATOM 681 C PHE A 46 11.158 -5.322 -5.068 1.00 0.00 C ATOM 682 O PHE A 46 10.281 -4.620 -5.558 1.00 0.00 O ATOM 683 CB PHE A 46 12.069 -4.207 -3.008 1.00 0.00 C ATOM 684 CG PHE A 46 10.936 -4.922 -2.281 1.00 0.00 C ATOM 685 CD1 PHE A 46 9.610 -4.523 -2.509 1.00 0.00 C ATOM 686 CD2 PHE A 46 11.186 -5.993 -1.404 1.00 0.00 C ATOM 687 CE1 PHE A 46 8.554 -5.145 -1.831 1.00 0.00 C ATOM 688 CE2 PHE A 46 10.125 -6.630 -0.735 1.00 0.00 C ATOM 689 CZ PHE A 46 8.808 -6.185 -0.922 1.00 0.00 C ATOM 0 H PHE A 46 11.650 -3.088 -5.640 1.00 0.00 H new ATOM 0 HA PHE A 46 13.234 -5.275 -4.435 1.00 0.00 H new ATOM 0 HB2 PHE A 46 12.982 -4.347 -2.429 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.850 -3.139 -3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.402 -3.730 -3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 46 12.200 -6.329 -1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.538 -4.823 -2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.325 -7.463 -0.077 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.997 -6.638 -0.372 1.00 0.00 H new ATOM 699 N THR A 47 11.096 -6.652 -5.022 1.00 0.00 N ATOM 700 CA THR A 47 9.901 -7.372 -5.415 1.00 0.00 C ATOM 701 C THR A 47 9.517 -8.371 -4.328 1.00 0.00 C ATOM 702 O THR A 47 10.136 -8.440 -3.266 1.00 0.00 O ATOM 703 CB THR A 47 10.054 -7.977 -6.818 1.00 0.00 C ATOM 704 OG1 THR A 47 8.771 -8.274 -7.350 1.00 0.00 O ATOM 705 CG2 THR A 47 10.918 -9.239 -6.788 1.00 0.00 C ATOM 0 H THR A 47 11.865 -7.248 -4.715 1.00 0.00 H new ATOM 0 HA THR A 47 9.061 -6.682 -5.502 1.00 0.00 H new ATOM 0 HB THR A 47 10.554 -7.247 -7.455 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.749 -8.041 -8.302 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.007 -9.643 -7.796 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.909 -8.992 -6.407 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.454 -9.982 -6.139 1.00 0.00 H new ATOM 713 N TYR A 48 8.455 -9.108 -4.619 1.00 0.00 N ATOM 714 CA TYR A 48 7.579 -9.766 -3.666 1.00 0.00 C ATOM 715 C TYR A 48 7.188 -11.162 -4.147 1.00 0.00 C ATOM 716 O TYR A 48 7.657 -11.641 -5.180 1.00 0.00 O ATOM 717 CB TYR A 48 6.350 -8.867 -3.431 1.00 0.00 C ATOM 718 CG TYR A 48 6.000 -7.937 -4.579 1.00 0.00 C ATOM 719 CD1 TYR A 48 5.319 -8.400 -5.714 1.00 0.00 C ATOM 720 CD2 TYR A 48 6.424 -6.605 -4.526 1.00 0.00 C ATOM 721 CE1 TYR A 48 4.898 -7.478 -6.690 1.00 0.00 C ATOM 722 CE2 TYR A 48 6.155 -5.723 -5.589 1.00 0.00 C ATOM 723 CZ TYR A 48 5.365 -6.160 -6.667 1.00 0.00 C ATOM 724 OH TYR A 48 5.144 -5.367 -7.754 1.00 0.00 O ATOM 0 H TYR A 48 8.167 -9.271 -5.584 1.00 0.00 H new ATOM 0 HA TYR A 48 8.100 -9.908 -2.719 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.489 -9.503 -3.224 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.525 -8.266 -2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.120 -9.454 -5.838 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.963 -6.250 -3.660 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.210 -7.790 -7.462 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.552 -4.719 -5.577 1.00 0.00 H new ATOM 0 HH TYR A 48 5.302 -4.430 -7.513 1.00 0.00 H new ATOM 734 N THR A 49 6.333 -11.810 -3.358 1.00 0.00 N ATOM 735 CA THR A 49 5.780 -13.129 -3.610 1.00 0.00 C ATOM 736 C THR A 49 5.049 -13.167 -4.945 1.00 0.00 C ATOM 737 O THR A 49 4.403 -12.189 -5.307 1.00 0.00 O ATOM 738 CB THR A 49 4.764 -13.434 -2.504 1.00 0.00 C ATOM 739 OG1 THR A 49 4.135 -12.226 -2.103 1.00 0.00 O ATOM 740 CG2 THR A 49 5.455 -14.034 -1.288 1.00 0.00 C ATOM 0 H THR A 49 5.994 -11.406 -2.485 1.00 0.00 H new ATOM 0 HA THR A 49 6.591 -13.857 -3.630 1.00 0.00 H new ATOM 0 HB THR A 49 4.034 -14.144 -2.894 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.377 -12.431 -1.517 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.715 -14.243 -0.515 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.953 -14.961 -1.573 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.192 -13.329 -0.904 1.00 0.00 H new ATOM 748 N ASP A 50 5.076 -14.321 -5.619 1.00 0.00 N ATOM 749 CA ASP A 50 4.396 -14.557 -6.891 1.00 0.00 C ATOM 750 C ASP A 50 2.939 -14.104 -6.856 1.00 0.00 C ATOM 751 O ASP A 50 2.461 -13.486 -7.795 1.00 0.00 O ATOM 752 CB ASP A 50 4.486 -16.034 -7.268 1.00 0.00 C ATOM 753 CG ASP A 50 3.765 -16.259 -8.590 1.00 0.00 C ATOM 754 OD1 ASP A 50 4.336 -15.842 -9.620 1.00 0.00 O ATOM 755 OD2 ASP A 50 2.646 -16.806 -8.533 1.00 0.00 O ATOM 0 H ASP A 50 5.586 -15.138 -5.283 1.00 0.00 H new ATOM 0 HA ASP A 50 4.901 -13.960 -7.650 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.530 -16.337 -7.353 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.039 -16.649 -6.487 1.00 0.00 H new ATOM 760 N ALA A 51 2.238 -14.344 -5.751 1.00 0.00 N ATOM 761 CA ALA A 51 0.846 -13.937 -5.613 1.00 0.00 C ATOM 762 C ALA A 51 0.655 -12.443 -5.896 1.00 0.00 C ATOM 763 O ALA A 51 -0.352 -12.048 -6.484 1.00 0.00 O ATOM 764 CB ALA A 51 0.345 -14.331 -4.221 1.00 0.00 C ATOM 0 H ALA A 51 2.617 -14.822 -4.933 1.00 0.00 H new ATOM 0 HA ALA A 51 0.248 -14.457 -6.361 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.697 -14.029 -4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.425 -15.411 -4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.949 -13.833 -3.462 1.00 0.00 H new ATOM 770 N ASN A 52 1.632 -11.615 -5.513 1.00 0.00 N ATOM 771 CA ASN A 52 1.649 -10.216 -5.918 1.00 0.00 C ATOM 772 C ASN A 52 2.312 -10.047 -7.284 1.00 0.00 C ATOM 773 O ASN A 52 1.813 -9.302 -8.124 1.00 0.00 O ATOM 774 CB ASN A 52 2.378 -9.371 -4.875 1.00 0.00 C ATOM 775 CG ASN A 52 1.447 -8.809 -3.818 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.043 -9.513 -2.902 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.120 -7.528 -3.944 1.00 0.00 N ATOM 0 H ASN A 52 2.417 -11.893 -4.925 1.00 0.00 H new ATOM 0 HA ASN A 52 0.616 -9.875 -5.995 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.143 -9.979 -4.392 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.891 -8.549 -5.374 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.506 -7.089 -3.259 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.483 -6.983 -4.726 1.00 0.00 H new ATOM 784 N LYS A 53 3.452 -10.701 -7.509 1.00 0.00 N ATOM 785 CA LYS A 53 4.293 -10.489 -8.680 1.00 0.00 C ATOM 786 C LYS A 53 3.529 -10.808 -9.968 1.00 0.00 C ATOM 787 O LYS A 53 3.782 -10.227 -11.018 1.00 0.00 O ATOM 788 CB LYS A 53 5.607 -11.267 -8.559 1.00 0.00 C ATOM 789 CG LYS A 53 6.689 -10.613 -9.425 1.00 0.00 C ATOM 790 CD LYS A 53 8.033 -11.307 -9.203 1.00 0.00 C ATOM 791 CE LYS A 53 9.091 -10.635 -10.086 1.00 0.00 C ATOM 792 NZ LYS A 53 10.403 -11.304 -9.979 1.00 0.00 N ATOM 0 H LYS A 53 3.820 -11.405 -6.869 1.00 0.00 H new ATOM 0 HA LYS A 53 4.560 -9.434 -8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.929 -11.292 -7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.457 -12.301 -8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.409 -10.674 -10.477 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.773 -9.555 -9.178 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.322 -11.243 -8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.955 -12.366 -9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.760 -10.649 -11.124 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.193 -9.589 -9.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.127 -10.726 -10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.653 -11.419 -8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.354 -12.238 -10.433 1.00 0.00 H new ATOM 806 N ASN A 54 2.574 -11.725 -9.863 1.00 0.00 N ATOM 807 CA ASN A 54 1.723 -12.187 -10.934 1.00 0.00 C ATOM 808 C ASN A 54 0.630 -11.164 -11.276 1.00 0.00 C ATOM 809 O ASN A 54 0.096 -11.203 -12.379 1.00 0.00 O ATOM 810 CB ASN A 54 1.103 -13.526 -10.516 1.00 0.00 C ATOM 811 CG ASN A 54 0.294 -14.154 -11.641 1.00 0.00 C ATOM 812 OD1 ASN A 54 -0.930 -14.063 -11.661 1.00 0.00 O ATOM 813 ND2 ASN A 54 0.970 -14.811 -12.579 1.00 0.00 N ATOM 0 H ASN A 54 2.368 -12.186 -8.977 1.00 0.00 H new ATOM 0 HA ASN A 54 2.323 -12.316 -11.835 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.893 -14.212 -10.211 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.461 -13.373 -9.649 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.471 -15.260 -13.347 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.987 -14.866 -12.530 1.00 0.00 H new ATOM 820 N LYS A 55 0.260 -10.274 -10.339 1.00 0.00 N ATOM 821 CA LYS A 55 -0.926 -9.427 -10.468 1.00 0.00 C ATOM 822 C LYS A 55 -0.966 -8.624 -11.775 1.00 0.00 C ATOM 823 O LYS A 55 -1.987 -8.610 -12.457 1.00 0.00 O ATOM 824 CB LYS A 55 -1.014 -8.440 -9.297 1.00 0.00 C ATOM 825 CG LYS A 55 -1.615 -8.985 -7.991 1.00 0.00 C ATOM 826 CD LYS A 55 -3.077 -8.535 -7.787 1.00 0.00 C ATOM 827 CE LYS A 55 -4.117 -9.322 -8.596 1.00 0.00 C ATOM 828 NZ LYS A 55 -4.332 -10.684 -8.057 1.00 0.00 N ATOM 0 H LYS A 55 0.778 -10.126 -9.473 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.774 -10.112 -10.468 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.011 -8.071 -9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.608 -7.583 -9.616 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.570 -10.074 -8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.012 -8.648 -7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.323 -8.619 -6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.157 -7.480 -8.050 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.062 -8.779 -8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.791 -9.391 -9.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.042 -11.178 -8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.437 -11.213 -8.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.669 -10.620 -7.075 1.00 0.00 H new ATOM 842 N GLY A 56 0.102 -7.877 -12.065 1.00 0.00 N ATOM 843 CA GLY A 56 0.168 -7.020 -13.244 1.00 0.00 C ATOM 844 C GLY A 56 -0.859 -5.878 -13.228 1.00 0.00 C ATOM 845 O GLY A 56 -1.346 -5.476 -14.281 1.00 0.00 O ATOM 0 H GLY A 56 0.943 -7.851 -11.488 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.170 -6.597 -13.320 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.010 -7.628 -14.135 1.00 0.00 H new ATOM 849 N ILE A 57 -1.181 -5.339 -12.044 1.00 0.00 N ATOM 850 CA ILE A 57 -2.055 -4.175 -11.900 1.00 0.00 C ATOM 851 C ILE A 57 -1.233 -2.878 -11.970 1.00 0.00 C ATOM 852 O ILE A 57 -0.175 -2.857 -12.593 1.00 0.00 O ATOM 853 CB ILE A 57 -2.928 -4.306 -10.636 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.103 -4.410 -9.344 1.00 0.00 C ATOM 855 CG2 ILE A 57 -3.881 -5.499 -10.794 1.00 0.00 C ATOM 856 CD1 ILE A 57 -2.854 -3.902 -8.117 1.00 0.00 C ATOM 0 H ILE A 57 -0.838 -5.704 -11.155 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.754 -4.129 -12.735 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.510 -3.390 -10.537 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.817 -5.450 -9.184 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.181 -3.840 -9.461 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.499 -5.592 -9.901 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.521 -5.341 -11.662 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.301 -6.412 -10.931 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.220 -4.001 -7.236 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.116 -2.854 -8.259 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.763 -4.488 -7.978 1.00 0.00 H new ATOM 868 N THR A 58 -1.718 -1.768 -11.401 1.00 0.00 N ATOM 869 CA THR A 58 -1.136 -0.448 -11.565 1.00 0.00 C ATOM 870 C THR A 58 -1.307 0.380 -10.280 1.00 0.00 C ATOM 871 O THR A 58 -1.352 1.609 -10.337 1.00 0.00 O ATOM 872 CB THR A 58 -1.847 0.187 -12.772 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.097 -0.783 -13.775 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.016 1.307 -13.370 1.00 0.00 C ATOM 0 H THR A 58 -2.544 -1.772 -10.803 1.00 0.00 H new ATOM 0 HA THR A 58 -0.062 -0.494 -11.745 1.00 0.00 H new ATOM 0 HB THR A 58 -2.792 0.594 -12.413 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.551 -0.360 -14.533 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.544 1.737 -14.221 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.851 2.079 -12.618 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.056 0.911 -13.701 1.00 0.00 H new ATOM 882 N TRP A 59 -1.469 -0.314 -9.142 1.00 0.00 N ATOM 883 CA TRP A 59 -1.912 0.214 -7.851 1.00 0.00 C ATOM 884 C TRP A 59 -2.733 1.501 -7.948 1.00 0.00 C ATOM 885 O TRP A 59 -2.342 2.545 -7.437 1.00 0.00 O ATOM 886 CB TRP A 59 -0.724 0.335 -6.896 1.00 0.00 C ATOM 887 CG TRP A 59 -0.220 -0.972 -6.394 1.00 0.00 C ATOM 888 CD1 TRP A 59 1.024 -1.455 -6.584 1.00 0.00 C ATOM 889 CD2 TRP A 59 -0.927 -1.969 -5.597 1.00 0.00 C ATOM 890 NE1 TRP A 59 1.129 -2.687 -5.984 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.055 -3.077 -5.388 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.209 -2.038 -5.008 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.447 -4.208 -4.655 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.592 -3.145 -4.230 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.719 -4.233 -4.059 1.00 0.00 C ATOM 0 H TRP A 59 -1.282 -1.316 -9.101 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.614 -0.509 -7.436 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.087 0.855 -7.405 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.015 0.952 -6.046 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.814 -0.953 -7.123 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.981 -3.248 -5.979 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.907 -1.227 -5.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.222 -5.050 -4.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.564 -3.159 -3.760 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.025 -5.086 -3.471 1.00 0.00 H new ATOM 906 N LYS A 60 -3.905 1.401 -8.577 1.00 0.00 N ATOM 907 CA LYS A 60 -4.807 2.530 -8.741 1.00 0.00 C ATOM 908 C LYS A 60 -5.727 2.662 -7.518 1.00 0.00 C ATOM 909 O LYS A 60 -5.752 1.778 -6.654 1.00 0.00 O ATOM 910 CB LYS A 60 -5.630 2.334 -10.022 1.00 0.00 C ATOM 911 CG LYS A 60 -6.378 0.990 -10.033 1.00 0.00 C ATOM 912 CD LYS A 60 -5.821 -0.034 -11.032 1.00 0.00 C ATOM 913 CE LYS A 60 -6.299 0.294 -12.456 1.00 0.00 C ATOM 914 NZ LYS A 60 -5.934 -0.758 -13.428 1.00 0.00 N ATOM 0 H LYS A 60 -4.251 0.533 -8.985 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.228 3.450 -8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.348 3.148 -10.118 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.970 2.387 -10.888 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.343 0.560 -9.032 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.427 1.173 -10.265 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.732 -0.031 -10.997 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.146 -1.037 -10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.381 0.422 -12.453 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.866 1.243 -12.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.277 -0.492 -14.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.900 -0.864 -13.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.368 -1.659 -13.143 1.00 0.00 H new ATOM 928 N GLU A 61 -6.563 3.709 -7.505 1.00 0.00 N ATOM 929 CA GLU A 61 -7.531 4.004 -6.438 1.00 0.00 C ATOM 930 C GLU A 61 -8.758 3.082 -6.441 1.00 0.00 C ATOM 931 O GLU A 61 -9.874 3.511 -6.157 1.00 0.00 O ATOM 932 CB GLU A 61 -7.917 5.498 -6.449 1.00 0.00 C ATOM 933 CG GLU A 61 -8.600 6.035 -7.709 1.00 0.00 C ATOM 934 CD GLU A 61 -8.834 7.532 -7.527 1.00 0.00 C ATOM 935 OE1 GLU A 61 -7.826 8.269 -7.600 1.00 0.00 O ATOM 936 OE2 GLU A 61 -9.986 7.911 -7.233 1.00 0.00 O ATOM 0 H GLU A 61 -6.586 4.395 -8.259 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.029 3.790 -5.495 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.578 5.682 -5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.012 6.082 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.978 5.852 -8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.546 5.520 -7.876 1.00 0.00 H new ATOM 943 N GLU A 62 -8.528 1.798 -6.707 1.00 0.00 N ATOM 944 CA GLU A 62 -9.538 0.761 -6.780 1.00 0.00 C ATOM 945 C GLU A 62 -8.934 -0.463 -6.094 1.00 0.00 C ATOM 946 O GLU A 62 -9.383 -0.918 -5.042 1.00 0.00 O ATOM 947 CB GLU A 62 -9.884 0.474 -8.255 1.00 0.00 C ATOM 948 CG GLU A 62 -10.023 1.736 -9.120 1.00 0.00 C ATOM 949 CD GLU A 62 -10.378 1.358 -10.556 1.00 0.00 C ATOM 950 OE1 GLU A 62 -11.551 0.994 -10.772 1.00 0.00 O ATOM 951 OE2 GLU A 62 -9.456 1.386 -11.403 1.00 0.00 O ATOM 0 H GLU A 62 -7.588 1.443 -6.884 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.467 1.052 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.110 -0.163 -8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.818 -0.087 -8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.795 2.385 -8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.090 2.300 -9.105 1.00 0.00 H new ATOM 958 N THR A 63 -7.829 -0.935 -6.674 1.00 0.00 N ATOM 959 CA THR A 63 -7.094 -2.090 -6.214 1.00 0.00 C ATOM 960 C THR A 63 -6.513 -1.815 -4.834 1.00 0.00 C ATOM 961 O THR A 63 -6.499 -2.702 -3.989 1.00 0.00 O ATOM 962 CB THR A 63 -6.014 -2.418 -7.251 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.331 -1.241 -7.656 1.00 0.00 O ATOM 964 CG2 THR A 63 -6.668 -3.031 -8.493 1.00 0.00 C ATOM 0 H THR A 63 -7.417 -0.503 -7.501 1.00 0.00 H new ATOM 0 HA THR A 63 -7.747 -2.957 -6.114 1.00 0.00 H new ATOM 0 HB THR A 63 -5.309 -3.114 -6.796 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.759 -1.443 -8.426 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.900 -3.264 -9.231 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.193 -3.945 -8.214 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.377 -2.321 -8.919 1.00 0.00 H new ATOM 972 N LEU A 64 -6.057 -0.579 -4.589 1.00 0.00 N ATOM 973 CA LEU A 64 -5.660 -0.189 -3.249 1.00 0.00 C ATOM 974 C LEU A 64 -6.805 -0.380 -2.261 1.00 0.00 C ATOM 975 O LEU A 64 -6.588 -0.933 -1.191 1.00 0.00 O ATOM 976 CB LEU A 64 -5.205 1.273 -3.233 1.00 0.00 C ATOM 977 CG LEU A 64 -3.675 1.418 -3.203 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.193 2.009 -4.521 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.252 2.316 -2.040 1.00 0.00 C ATOM 0 H LEU A 64 -5.958 0.150 -5.295 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.830 -0.828 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.597 1.781 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.630 1.772 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.226 0.434 -3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.108 2.111 -4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.479 1.350 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.647 2.989 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.166 2.411 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.701 3.302 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.587 1.876 -1.100 1.00 0.00 H new ATOM 991 N MET A 65 -8.010 0.095 -2.581 1.00 0.00 N ATOM 992 CA MET A 65 -9.105 0.039 -1.639 1.00 0.00 C ATOM 993 C MET A 65 -9.466 -1.419 -1.352 1.00 0.00 C ATOM 994 O MET A 65 -9.630 -1.797 -0.194 1.00 0.00 O ATOM 995 CB MET A 65 -10.285 0.857 -2.168 1.00 0.00 C ATOM 996 CG MET A 65 -11.342 0.925 -1.067 1.00 0.00 C ATOM 997 SD MET A 65 -12.684 2.121 -1.261 1.00 0.00 S ATOM 998 CE MET A 65 -11.760 3.664 -1.091 1.00 0.00 C ATOM 0 H MET A 65 -8.241 0.518 -3.480 1.00 0.00 H new ATOM 0 HA MET A 65 -8.812 0.485 -0.689 1.00 0.00 H new ATOM 0 HB2 MET A 65 -9.960 1.859 -2.447 1.00 0.00 H new ATOM 0 HB3 MET A 65 -10.698 0.395 -3.065 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.787 -0.065 -0.968 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.834 1.141 -0.127 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.453 4.505 -1.097 1.00 0.00 H new ATOM 0 HE2 MET A 65 -11.207 3.656 -0.152 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.062 3.763 -1.922 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.573 -2.232 -2.407 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.866 -3.653 -2.282 1.00 0.00 C ATOM 1010 C GLU A 66 -8.830 -4.334 -1.373 1.00 0.00 C ATOM 1011 O GLU A 66 -9.178 -5.009 -0.403 1.00 0.00 O ATOM 1012 CB GLU A 66 -9.928 -4.267 -3.689 1.00 0.00 C ATOM 1013 CG GLU A 66 -10.661 -5.615 -3.705 1.00 0.00 C ATOM 1014 CD GLU A 66 -10.791 -6.189 -5.113 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -10.369 -5.498 -6.066 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.269 -7.339 -5.204 1.00 0.00 O ATOM 0 H GLU A 66 -9.458 -1.918 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.834 -3.807 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.432 -3.574 -4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.915 -4.402 -4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.125 -6.324 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.654 -5.491 -3.273 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.543 -4.123 -1.666 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.439 -4.691 -0.903 1.00 0.00 C ATOM 1025 C TYR A 67 -6.532 -4.272 0.559 1.00 0.00 C ATOM 1026 O TYR A 67 -6.603 -5.119 1.437 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.107 -4.243 -1.527 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.865 -4.961 -1.025 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.872 -6.362 -0.938 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.656 -4.270 -0.824 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.726 -7.068 -0.564 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.473 -4.989 -0.561 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.521 -6.385 -0.386 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.423 -7.124 -0.097 1.00 0.00 O ATOM 0 H TYR A 67 -7.240 -3.545 -2.450 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.493 -5.779 -0.937 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.170 -4.378 -2.607 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.984 -3.175 -1.346 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.779 -6.903 -1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.635 -3.191 -0.871 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.772 -8.136 -0.413 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.529 -4.469 -0.494 1.00 0.00 H new ATOM 0 HH TYR A 67 0.382 -6.581 -0.232 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.541 -2.972 0.837 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.567 -2.472 2.205 1.00 0.00 C ATOM 1046 C LEU A 68 -7.835 -2.886 2.956 1.00 0.00 C ATOM 1047 O LEU A 68 -7.784 -3.031 4.176 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.350 -0.951 2.253 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.874 -0.507 2.276 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.090 -1.193 3.401 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.146 -0.717 0.945 1.00 0.00 C ATOM 0 H LEU A 68 -6.531 -2.241 0.125 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.732 -2.941 2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.836 -0.502 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.847 -0.555 3.139 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.910 0.567 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.055 -0.853 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.538 -0.941 4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.120 -2.273 3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.113 -0.382 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.162 -1.775 0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.644 -0.144 0.163 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.962 -3.087 2.265 1.00 0.00 N ATOM 1064 CA GLU A 69 -10.131 -3.675 2.904 1.00 0.00 C ATOM 1065 C GLU A 69 -9.826 -5.122 3.309 1.00 0.00 C ATOM 1066 O GLU A 69 -10.157 -5.535 4.420 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.370 -3.618 1.988 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.633 -3.985 2.790 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.829 -4.341 1.915 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.833 -5.482 1.413 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.738 -3.481 1.812 1.00 0.00 O ATOM 0 H GLU A 69 -9.084 -2.854 1.280 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.361 -3.092 3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.475 -2.619 1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.247 -4.306 1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.407 -4.828 3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.901 -3.147 3.434 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.275 -5.911 2.379 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.339 -7.364 2.457 1.00 0.00 C ATOM 1080 C ASN A 70 -8.126 -8.017 1.781 1.00 0.00 C ATOM 1081 O ASN A 70 -8.263 -8.725 0.785 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.664 -7.790 1.800 1.00 0.00 C ATOM 1083 CG ASN A 70 -11.375 -8.889 2.575 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -10.751 -9.802 3.109 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -12.701 -8.807 2.654 1.00 0.00 N ATOM 0 H ASN A 70 -8.778 -5.559 1.561 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.309 -7.697 3.495 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.321 -6.924 1.720 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.467 -8.135 0.785 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.226 -9.514 3.168 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.192 -8.037 2.200 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.908 -7.813 2.292 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.696 -7.990 1.505 1.00 0.00 C ATOM 1094 C PRO A 71 -5.458 -9.449 1.130 1.00 0.00 C ATOM 1095 O PRO A 71 -5.225 -9.777 -0.034 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.561 -7.378 2.330 1.00 0.00 C ATOM 1097 CG PRO A 71 -5.116 -7.345 3.755 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.629 -7.232 3.585 1.00 0.00 C ATOM 0 HA PRO A 71 -5.771 -7.487 0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.654 -7.979 2.269 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.305 -6.379 1.978 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.847 -8.247 4.305 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.717 -6.499 4.315 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.155 -7.764 4.378 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.954 -6.192 3.628 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.581 -10.333 2.120 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.491 -11.771 1.937 1.00 0.00 C ATOM 1108 C LYS A 72 -6.586 -12.324 1.012 1.00 0.00 C ATOM 1109 O LYS A 72 -6.509 -13.487 0.618 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.550 -12.440 3.317 1.00 0.00 C ATOM 1111 CG LYS A 72 -4.316 -12.074 4.156 1.00 0.00 C ATOM 1112 CD LYS A 72 -4.279 -12.801 5.507 1.00 0.00 C ATOM 1113 CE LYS A 72 -4.240 -14.331 5.336 1.00 0.00 C ATOM 1114 NZ LYS A 72 -3.370 -14.987 6.332 1.00 0.00 N ATOM 0 H LYS A 72 -5.749 -10.059 3.088 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.545 -11.997 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.455 -12.128 3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.607 -13.522 3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.415 -12.317 3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.305 -10.998 4.327 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.404 -12.476 6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.156 -12.524 6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.251 -14.729 5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.887 -14.573 4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.377 -16.015 6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.399 -14.628 6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.721 -14.780 7.289 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.615 -11.529 0.692 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.682 -11.917 -0.215 1.00 0.00 C ATOM 1130 C LYS A 73 -8.366 -11.389 -1.614 1.00 0.00 C ATOM 1131 O LYS A 73 -8.435 -12.147 -2.579 1.00 0.00 O ATOM 1132 CB LYS A 73 -10.018 -11.412 0.342 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.205 -12.267 -0.111 1.00 0.00 C ATOM 1134 CD LYS A 73 -12.472 -11.791 0.618 1.00 0.00 C ATOM 1135 CE LYS A 73 -13.638 -12.781 0.496 1.00 0.00 C ATOM 1136 NZ LYS A 73 -13.392 -14.034 1.241 1.00 0.00 N ATOM 0 H LYS A 73 -7.723 -10.586 1.066 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.762 -13.001 -0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.974 -11.405 1.431 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.174 -10.382 0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.338 -12.185 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.017 -13.318 0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.242 -11.636 1.672 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.777 -10.826 0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.549 -12.313 0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.806 -13.013 -0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.261 -14.605 1.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.633 -14.571 0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.108 -13.808 2.216 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.983 -10.110 -1.727 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.515 -9.529 -2.975 1.00 0.00 C ATOM 1152 C TYR A 74 -6.403 -10.372 -3.611 1.00 0.00 C ATOM 1153 O TYR A 74 -6.370 -10.558 -4.832 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.012 -8.110 -2.699 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.645 -7.333 -3.948 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.621 -7.163 -4.942 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.325 -6.903 -4.190 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.275 -6.636 -6.192 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -4.973 -6.396 -5.452 1.00 0.00 C ATOM 1160 CZ TYR A 74 -5.945 -6.297 -6.460 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.575 -6.022 -7.737 1.00 0.00 O ATOM 0 H TYR A 74 -7.992 -9.453 -0.947 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.344 -9.504 -3.682 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.782 -7.562 -2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.140 -8.165 -2.048 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.645 -7.440 -4.741 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.585 -6.963 -3.406 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.033 -6.492 -6.947 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.958 -6.083 -5.646 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.352 -6.109 -8.328 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.463 -10.848 -2.786 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.347 -11.680 -3.223 1.00 0.00 C ATOM 1173 C ILE A 75 -4.306 -12.957 -2.375 1.00 0.00 C ATOM 1174 O ILE A 75 -4.152 -12.865 -1.156 1.00 0.00 O ATOM 1175 CB ILE A 75 -3.036 -10.877 -3.156 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.100 -9.775 -4.224 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.835 -11.790 -3.432 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.949 -8.776 -4.141 1.00 0.00 C ATOM 0 H ILE A 75 -5.460 -10.661 -1.783 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.479 -11.981 -4.262 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.916 -10.445 -2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.099 -10.237 -5.211 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.044 -9.239 -4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.915 -11.207 -3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.803 -12.584 -2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.932 -12.228 -4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.060 -8.027 -4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.962 -8.286 -3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.002 -9.300 -4.271 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.420 -14.149 -2.990 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.481 -15.411 -2.271 1.00 0.00 C ATOM 1192 C PRO A 76 -3.105 -15.783 -1.708 1.00 0.00 C ATOM 1193 O PRO A 76 -2.409 -16.634 -2.254 1.00 0.00 O ATOM 1194 CB PRO A 76 -5.002 -16.431 -3.292 1.00 0.00 C ATOM 1195 CG PRO A 76 -4.469 -15.893 -4.618 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.558 -14.380 -4.423 1.00 0.00 C ATOM 0 HA PRO A 76 -5.139 -15.368 -1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.631 -17.435 -3.085 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.091 -16.487 -3.287 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.446 -16.218 -4.806 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.070 -16.229 -5.463 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.772 -13.868 -4.978 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.509 -13.995 -4.790 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.728 -15.157 -0.591 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.538 -15.517 0.165 1.00 0.00 C ATOM 1206 C GLY A 77 -0.345 -14.653 -0.230 1.00 0.00 C ATOM 1207 O GLY A 77 0.627 -15.139 -0.804 1.00 0.00 O ATOM 0 H GLY A 77 -3.249 -14.379 -0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.734 -15.403 1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.301 -16.567 -0.005 1.00 0.00 H new ATOM 1211 N THR A 78 -0.414 -13.363 0.103 1.00 0.00 N ATOM 1212 CA THR A 78 0.714 -12.461 -0.022 1.00 0.00 C ATOM 1213 C THR A 78 1.686 -12.620 1.160 1.00 0.00 C ATOM 1214 O THR A 78 1.420 -13.346 2.118 1.00 0.00 O ATOM 1215 CB THR A 78 0.212 -11.018 -0.192 1.00 0.00 C ATOM 1216 OG1 THR A 78 1.353 -10.201 -0.191 1.00 0.00 O ATOM 1217 CG2 THR A 78 -0.731 -10.556 0.922 1.00 0.00 C ATOM 0 H THR A 78 -1.258 -12.921 0.467 1.00 0.00 H new ATOM 0 HA THR A 78 1.282 -12.717 -0.916 1.00 0.00 H new ATOM 0 HB THR A 78 -0.364 -10.958 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.391 -9.691 -1.027 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.042 -9.529 0.732 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.608 -11.202 0.947 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.215 -10.607 1.881 1.00 0.00 H new ATOM 1225 N LYS A 79 2.814 -11.909 1.072 1.00 0.00 N ATOM 1226 CA LYS A 79 3.776 -11.683 2.132 1.00 0.00 C ATOM 1227 C LYS A 79 3.321 -10.548 3.059 1.00 0.00 C ATOM 1228 O LYS A 79 3.754 -10.509 4.209 1.00 0.00 O ATOM 1229 CB LYS A 79 5.141 -11.395 1.491 1.00 0.00 C ATOM 1230 CG LYS A 79 6.259 -11.199 2.528 1.00 0.00 C ATOM 1231 CD LYS A 79 7.552 -11.877 2.058 1.00 0.00 C ATOM 1232 CE LYS A 79 8.664 -11.674 3.097 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.845 -12.516 2.814 1.00 0.00 N ATOM 0 H LYS A 79 3.088 -11.452 0.202 1.00 0.00 H new ATOM 0 HA LYS A 79 3.858 -12.571 2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.407 -12.219 0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.065 -10.501 0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.435 -10.135 2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.951 -11.615 3.487 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.378 -12.942 1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.861 -11.463 1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.961 -10.625 3.110 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.280 -11.909 4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.572 -12.349 3.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.568 -13.518 2.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.227 -12.274 1.878 1.00 0.00 H new ATOM 1247 N MET A 80 2.483 -9.614 2.590 1.00 0.00 N ATOM 1248 CA MET A 80 1.930 -8.588 3.467 1.00 0.00 C ATOM 1249 C MET A 80 1.076 -9.237 4.555 1.00 0.00 C ATOM 1250 O MET A 80 0.368 -10.215 4.318 1.00 0.00 O ATOM 1251 CB MET A 80 1.134 -7.588 2.635 1.00 0.00 C ATOM 1252 CG MET A 80 0.397 -6.472 3.380 1.00 0.00 C ATOM 1253 SD MET A 80 0.313 -4.919 2.440 1.00 0.00 S ATOM 1254 CE MET A 80 -1.392 -4.358 2.704 1.00 0.00 C ATOM 0 H MET A 80 2.179 -9.552 1.618 1.00 0.00 H new ATOM 0 HA MET A 80 2.734 -8.047 3.965 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.818 -7.123 1.925 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.400 -8.145 2.053 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.615 -6.805 3.611 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.897 -6.287 4.331 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.552 -3.419 2.175 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.085 -5.110 2.326 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.565 -4.208 3.770 1.00 0.00 H new ATOM 1264 N ILE A 81 1.165 -8.685 5.761 1.00 0.00 N ATOM 1265 CA ILE A 81 0.560 -9.221 6.966 1.00 0.00 C ATOM 1266 C ILE A 81 -0.433 -8.173 7.448 1.00 0.00 C ATOM 1267 O ILE A 81 -0.086 -7.268 8.204 1.00 0.00 O ATOM 1268 CB ILE A 81 1.649 -9.512 8.009 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.783 -10.409 7.484 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.040 -10.106 9.289 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.337 -11.801 7.023 1.00 0.00 C ATOM 0 H ILE A 81 1.680 -7.821 5.927 1.00 0.00 H new ATOM 0 HA ILE A 81 0.045 -10.165 6.786 1.00 0.00 H new ATOM 0 HB ILE A 81 2.104 -8.549 8.241 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.271 -9.904 6.650 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.531 -10.523 8.269 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.832 -10.303 10.011 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.328 -9.399 9.715 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.527 -11.038 9.050 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.202 -12.362 6.670 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.877 -12.331 7.857 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.614 -11.702 6.214 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.668 -8.268 6.966 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.725 -7.345 7.324 1.00 0.00 C ATOM 1285 C PHE A 82 -4.063 -8.036 7.072 1.00 0.00 C ATOM 1286 O PHE A 82 -4.088 -9.125 6.493 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.545 -6.043 6.528 1.00 0.00 C ATOM 1288 CG PHE A 82 -3.140 -4.829 7.203 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.492 -4.294 8.332 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.329 -4.247 6.732 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -3.039 -3.186 8.998 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.875 -3.140 7.400 1.00 0.00 C ATOM 1293 CZ PHE A 82 -4.238 -2.616 8.541 1.00 0.00 C ATOM 0 H PHE A 82 -1.960 -8.994 6.312 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.692 -7.070 8.378 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.481 -5.872 6.365 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.003 -6.162 5.546 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.573 -4.736 8.686 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.821 -4.650 5.859 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.538 -2.772 9.861 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.787 -2.689 7.038 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.671 -1.776 9.064 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.162 -7.434 7.531 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.501 -7.986 7.400 1.00 0.00 C ATOM 1305 C ALA A 83 -7.502 -6.827 7.407 1.00 0.00 C ATOM 1306 O ALA A 83 -7.563 -6.079 6.437 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.745 -9.027 8.499 1.00 0.00 C ATOM 0 H ALA A 83 -5.140 -6.534 8.011 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.627 -8.518 6.457 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.750 -9.437 8.395 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.014 -9.831 8.408 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.645 -8.555 9.476 1.00 0.00 H new ATOM 1313 N GLY A 84 -8.256 -6.654 8.497 1.00 0.00 N ATOM 1314 CA GLY A 84 -9.145 -5.514 8.657 1.00 0.00 C ATOM 1315 C GLY A 84 -8.342 -4.226 8.847 1.00 0.00 C ATOM 1316 O GLY A 84 -7.159 -4.273 9.179 1.00 0.00 O ATOM 0 H GLY A 84 -8.263 -7.300 9.286 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.788 -5.422 7.782 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.797 -5.672 9.516 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.996 -3.077 8.647 1.00 0.00 N ATOM 1321 CA ILE A 85 -8.378 -1.762 8.672 1.00 0.00 C ATOM 1322 C ILE A 85 -8.769 -1.023 9.956 1.00 0.00 C ATOM 1323 O ILE A 85 -7.902 -0.740 10.778 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.705 -1.031 7.355 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -7.962 0.309 7.254 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -10.203 -0.808 7.088 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -6.578 0.167 6.618 1.00 0.00 C ATOM 0 H ILE A 85 -9.998 -3.043 8.459 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.291 -1.825 8.713 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.355 -1.715 6.581 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.558 1.007 6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.858 0.739 8.250 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.330 -0.287 6.139 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.712 -1.771 7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.630 -0.208 7.891 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.097 1.144 6.571 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.969 -0.509 7.219 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.680 -0.236 5.610 1.00 0.00 H new ATOM 1339 N LYS A 86 -10.065 -0.734 10.133 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.669 -0.206 11.340 1.00 0.00 C ATOM 1341 C LYS A 86 -12.189 -0.259 11.158 1.00 0.00 C ATOM 1342 O LYS A 86 -12.836 -1.192 11.625 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.150 1.205 11.653 1.00 0.00 C ATOM 1344 CG LYS A 86 -10.980 1.875 12.751 1.00 0.00 C ATOM 1345 CD LYS A 86 -10.153 2.937 13.477 1.00 0.00 C ATOM 1346 CE LYS A 86 -10.882 3.620 14.634 1.00 0.00 C ATOM 1347 NZ LYS A 86 -10.016 4.655 15.234 1.00 0.00 N ATOM 0 H LYS A 86 -10.749 -0.874 9.390 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.394 -0.808 12.206 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.107 1.150 11.966 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.180 1.814 10.749 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.868 2.333 12.315 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.325 1.125 13.463 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.243 2.474 13.859 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.846 3.696 12.758 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.808 4.071 14.276 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.157 2.882 15.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.518 5.115 16.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.144 4.214 15.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.775 5.366 14.514 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.759 0.738 10.472 1.00 0.00 N ATOM 1362 CA LYS A 87 -14.199 0.903 10.310 1.00 0.00 C ATOM 1363 C LYS A 87 -14.452 1.996 9.270 1.00 0.00 C ATOM 1364 O LYS A 87 -14.878 3.095 9.612 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.850 1.253 11.659 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.383 1.315 11.551 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.978 1.626 12.935 1.00 0.00 C ATOM 1368 CE LYS A 87 -18.482 1.935 12.893 1.00 0.00 C ATOM 1369 NZ LYS A 87 -19.293 0.782 12.451 1.00 0.00 N ATOM 0 H LYS A 87 -12.217 1.465 10.006 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.647 -0.028 9.964 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.567 0.509 12.404 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.471 2.213 12.008 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.678 2.082 10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.772 0.367 11.180 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.807 0.776 13.596 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.451 2.477 13.367 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.812 2.246 13.884 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.657 2.775 12.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.298 1.048 12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.001 0.499 11.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.151 -0.013 13.106 1.00 0.00 H new ATOM 1383 N LYS A 88 -14.170 1.695 8.003 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.299 2.606 6.869 1.00 0.00 C ATOM 1385 C LYS A 88 -13.359 3.818 6.943 1.00 0.00 C ATOM 1386 O LYS A 88 -12.518 3.954 6.064 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.755 2.986 6.556 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.487 1.807 5.896 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.935 2.131 5.499 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.015 3.262 4.458 1.00 0.00 C ATOM 1391 NZ LYS A 88 -19.368 3.403 3.879 1.00 0.00 N ATOM 0 H LYS A 88 -13.832 0.773 7.729 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.956 2.033 6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.268 3.273 7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.777 3.852 5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.935 1.498 5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.487 0.960 6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.408 1.235 5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.498 2.417 6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.723 4.203 4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.300 3.067 3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -19.369 4.177 3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -19.639 2.516 3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -20.049 3.616 4.636 1.00 0.00 H new ATOM 1405 N THR A 89 -13.469 4.667 7.966 1.00 0.00 N ATOM 1406 CA THR A 89 -12.629 5.832 8.224 1.00 0.00 C ATOM 1407 C THR A 89 -11.191 5.628 7.734 1.00 0.00 C ATOM 1408 O THR A 89 -10.762 6.273 6.779 1.00 0.00 O ATOM 1409 CB THR A 89 -12.726 6.128 9.729 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.097 6.167 10.073 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.059 7.444 10.129 1.00 0.00 C ATOM 0 H THR A 89 -14.191 4.551 8.677 1.00 0.00 H new ATOM 0 HA THR A 89 -12.979 6.696 7.659 1.00 0.00 H new ATOM 0 HB THR A 89 -12.195 5.342 10.265 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.189 6.353 11.031 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.163 7.593 11.204 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.001 7.410 9.868 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.536 8.269 9.600 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.475 4.662 8.314 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.100 4.371 7.946 1.00 0.00 C ATOM 1421 C GLU A 90 -8.948 3.919 6.498 1.00 0.00 C ATOM 1422 O GLU A 90 -7.977 4.274 5.834 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.520 3.358 8.924 1.00 0.00 C ATOM 1424 CG GLU A 90 -8.432 4.051 10.291 1.00 0.00 C ATOM 1425 CD GLU A 90 -7.494 3.365 11.277 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -6.720 2.495 10.821 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -7.538 3.755 12.463 1.00 0.00 O ATOM 0 H GLU A 90 -10.840 4.062 9.054 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.532 5.299 8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.152 2.472 8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.535 3.026 8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.100 5.079 10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.430 4.098 10.728 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.922 3.163 5.994 1.00 0.00 N ATOM 1435 CA ARG A 91 -9.954 2.751 4.600 1.00 0.00 C ATOM 1436 C ARG A 91 -9.979 3.973 3.677 1.00 0.00 C ATOM 1437 O ARG A 91 -9.616 3.861 2.511 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.183 1.871 4.336 1.00 0.00 C ATOM 1439 CG ARG A 91 -10.951 0.943 3.142 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.250 0.701 2.367 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.293 0.093 3.209 1.00 0.00 N ATOM 1442 CZ ARG A 91 -14.179 -0.797 2.741 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -14.355 -0.956 1.429 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -14.864 -1.584 3.570 1.00 0.00 N ATOM 0 H ARG A 91 -10.710 2.821 6.545 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.052 2.175 4.391 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.407 1.278 5.223 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.052 2.502 4.147 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.205 1.380 2.478 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.550 -0.009 3.490 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.614 1.647 1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.048 0.051 1.516 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.344 0.361 4.192 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.813 -0.397 0.770 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.032 -1.636 1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.718 -1.514 4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.535 -2.256 3.197 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.437 5.125 4.180 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.624 6.327 3.398 1.00 0.00 C ATOM 1460 C GLU A 92 -9.528 7.350 3.709 1.00 0.00 C ATOM 1461 O GLU A 92 -9.227 8.207 2.882 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.025 6.868 3.711 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.582 7.575 2.474 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.084 6.573 1.440 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.025 5.826 1.785 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -12.504 6.578 0.335 1.00 0.00 O ATOM 0 H GLU A 92 -10.689 5.238 5.162 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.547 6.114 2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.685 6.052 4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.980 7.561 4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.397 8.237 2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.807 8.201 2.031 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.001 7.344 4.931 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.892 8.186 5.368 1.00 0.00 C ATOM 1475 C ASP A 93 -6.619 7.717 4.678 1.00 0.00 C ATOM 1476 O ASP A 93 -5.929 8.496 4.025 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.696 8.120 6.892 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.732 8.862 7.718 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -9.010 10.030 7.370 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.183 8.272 8.722 1.00 0.00 O ATOM 0 H ASP A 93 -9.347 6.731 5.669 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.119 9.219 5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.697 7.073 7.196 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.711 8.521 7.132 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.291 6.431 4.802 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.055 5.900 4.245 1.00 0.00 C ATOM 1487 C LEU A 94 -5.018 6.142 2.739 1.00 0.00 C ATOM 1488 O LEU A 94 -4.028 6.631 2.198 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.921 4.403 4.546 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.775 4.016 6.032 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.639 3.003 6.146 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.503 5.163 7.010 1.00 0.00 C ATOM 0 H LEU A 94 -6.867 5.741 5.284 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.215 6.416 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.797 3.893 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.054 4.022 4.006 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.747 3.621 6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.514 2.712 7.189 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.876 2.122 5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.714 3.451 5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.420 4.766 8.022 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.572 5.660 6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.323 5.880 6.967 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.129 5.852 2.064 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.223 5.976 0.619 1.00 0.00 C ATOM 1506 C ILE A 95 -6.382 7.452 0.226 1.00 0.00 C ATOM 1507 O ILE A 95 -6.363 7.773 -0.960 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.344 5.051 0.094 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.216 3.619 0.660 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.388 4.982 -1.444 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -5.861 2.959 0.410 1.00 0.00 C ATOM 0 H ILE A 95 -6.987 5.525 2.508 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.303 5.642 0.139 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.275 5.497 0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.399 3.648 1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.996 2.997 0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.194 4.318 -1.756 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.562 5.979 -1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.438 4.600 -1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.859 1.958 0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.681 2.893 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.075 3.555 0.874 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.473 8.375 1.198 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.456 9.798 0.912 1.00 0.00 C ATOM 1525 C ALA A 96 -5.002 10.242 0.954 1.00 0.00 C ATOM 1526 O ALA A 96 -4.524 10.872 0.011 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.326 10.557 1.914 1.00 0.00 C ATOM 0 H ALA A 96 -6.559 8.148 2.189 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.875 10.012 -0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.301 11.622 1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.353 10.196 1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.946 10.395 2.922 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.286 9.861 2.017 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.863 10.118 2.111 1.00 0.00 C ATOM 1535 C TYR A 97 -2.132 9.555 0.905 1.00 0.00 C ATOM 1536 O TYR A 97 -1.458 10.299 0.204 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.253 9.532 3.387 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.726 9.595 3.421 1.00 0.00 C ATOM 1539 CD1 TYR A 97 -0.057 10.712 2.882 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.039 8.555 3.986 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.315 10.901 3.106 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.428 8.715 4.140 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.052 9.914 3.770 1.00 0.00 C ATOM 1544 OH TYR A 97 3.336 10.171 4.134 1.00 0.00 O ATOM 0 H TYR A 97 -4.679 9.373 2.822 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.744 11.201 2.141 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.650 10.069 4.249 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.568 8.493 3.486 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.606 11.430 2.291 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.439 7.639 4.299 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.800 11.804 2.767 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.018 7.907 4.547 1.00 0.00 H new ATOM 0 HH TYR A 97 3.632 9.500 4.784 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.206 8.247 0.672 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.356 7.635 -0.340 1.00 0.00 C ATOM 1556 C LEU A 98 -1.626 8.209 -1.732 1.00 0.00 C ATOM 1557 O LEU A 98 -0.719 8.241 -2.564 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.454 6.109 -0.282 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.080 5.567 1.108 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.314 4.056 1.140 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.360 5.889 1.527 1.00 0.00 C ATOM 0 H LEU A 98 -2.831 7.605 1.159 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.320 7.889 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.469 5.800 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.794 5.673 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.723 6.071 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.050 3.668 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.364 3.846 0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.695 3.576 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.552 5.476 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.054 5.451 0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.499 6.970 1.552 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.833 8.746 -1.947 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.219 9.378 -3.207 1.00 0.00 C ATOM 1575 C LYS A 99 -2.385 10.628 -3.514 1.00 0.00 C ATOM 1576 O LYS A 99 -2.384 11.084 -4.653 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.722 9.719 -3.207 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.486 8.840 -4.204 1.00 0.00 C ATOM 1579 CD LYS A 99 -7.012 9.029 -4.214 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.471 10.454 -4.558 1.00 0.00 C ATOM 1581 NZ LYS A 99 -7.499 11.335 -3.374 1.00 0.00 N ATOM 0 H LYS A 99 -3.572 8.752 -1.244 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.019 8.656 -3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.130 9.579 -2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.860 10.769 -3.463 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.105 9.041 -5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.268 7.795 -3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.447 8.336 -4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.406 8.760 -3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.802 10.878 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.465 10.416 -5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.366 11.909 -3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.482 10.756 -2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.669 11.961 -3.388 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.708 11.189 -2.506 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.823 12.339 -2.626 1.00 0.00 C ATOM 1597 C LYS A 100 0.617 11.957 -2.263 1.00 0.00 C ATOM 1598 O LYS A 100 1.544 12.546 -2.806 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.386 13.533 -1.829 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.975 13.593 -0.351 1.00 0.00 C ATOM 1601 CD LYS A 100 0.266 14.481 -0.158 1.00 0.00 C ATOM 1602 CE LYS A 100 1.060 14.056 1.081 1.00 0.00 C ATOM 1603 NZ LYS A 100 2.227 14.927 1.317 1.00 0.00 N ATOM 0 H LYS A 100 -1.768 10.837 -1.551 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.781 12.668 -3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.066 14.455 -2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.474 13.504 -1.885 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.801 13.983 0.244 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.767 12.587 0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.902 14.419 -1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.040 15.522 -0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.408 14.079 1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.395 13.026 0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.987 14.376 1.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.565 15.308 0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.954 15.712 1.942 1.00 0.00 H new ATOM 1617 N ALA A 101 0.829 10.976 -1.372 1.00 0.00 N ATOM 1618 CA ALA A 101 2.156 10.476 -1.024 1.00 0.00 C ATOM 1619 C ALA A 101 2.857 9.969 -2.279 1.00 0.00 C ATOM 1620 O ALA A 101 4.030 10.253 -2.506 1.00 0.00 O ATOM 1621 CB ALA A 101 2.068 9.344 0.002 1.00 0.00 C ATOM 0 H ALA A 101 0.074 10.507 -0.872 1.00 0.00 H new ATOM 0 HA ALA A 101 2.725 11.296 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.071 8.992 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.586 9.711 0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.484 8.522 -0.412 1.00 0.00 H new ATOM 1627 N THR A 102 2.084 9.268 -3.116 1.00 0.00 N ATOM 1628 CA THR A 102 2.478 8.793 -4.434 1.00 0.00 C ATOM 1629 C THR A 102 3.089 9.894 -5.309 1.00 0.00 C ATOM 1630 O THR A 102 3.650 9.585 -6.358 1.00 0.00 O ATOM 1631 CB THR A 102 1.242 8.169 -5.098 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.559 7.433 -6.264 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.193 9.228 -5.458 1.00 0.00 C ATOM 0 H THR A 102 1.127 9.009 -2.877 1.00 0.00 H new ATOM 0 HA THR A 102 3.267 8.050 -4.320 1.00 0.00 H new ATOM 0 HB THR A 102 0.833 7.485 -4.355 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.089 7.819 -7.032 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.665 8.746 -5.925 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.129 9.744 -4.553 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.627 9.948 -6.152 1.00 0.00 H new ATOM 1641 N ASN A 103 2.934 11.168 -4.933 1.00 0.00 N ATOM 1642 CA ASN A 103 3.570 12.280 -5.605 1.00 0.00 C ATOM 1643 C ASN A 103 3.894 13.427 -4.641 1.00 0.00 C ATOM 1644 O ASN A 103 3.710 14.590 -5.009 1.00 0.00 O ATOM 1645 CB ASN A 103 2.667 12.709 -6.761 1.00 0.00 C ATOM 1646 CG ASN A 103 1.297 13.228 -6.325 1.00 0.00 C ATOM 1647 OD1 ASN A 103 0.320 12.487 -6.311 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.201 14.509 -5.994 1.00 0.00 N ATOM 0 H ASN A 103 2.354 11.448 -4.142 1.00 0.00 H new ATOM 0 HA ASN A 103 4.537 11.973 -6.003 1.00 0.00 H new ATOM 0 HB2 ASN A 103 3.173 13.487 -7.333 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.526 11.861 -7.431 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.299 14.899 -5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.029 15.104 -6.014 1.00 0.00 H new ATOM 1655 N GLU A 104 4.386 13.110 -3.437 1.00 0.00 N ATOM 1656 CA GLU A 104 4.946 14.123 -2.540 1.00 0.00 C ATOM 1657 C GLU A 104 6.454 14.297 -2.764 1.00 0.00 C ATOM 1658 O GLU A 104 7.073 13.374 -3.342 1.00 0.00 O ATOM 1659 CB GLU A 104 4.553 13.900 -1.064 1.00 0.00 C ATOM 1660 CG GLU A 104 5.275 12.794 -0.268 1.00 0.00 C ATOM 1661 CD GLU A 104 5.307 13.110 1.224 1.00 0.00 C ATOM 1662 OE1 GLU A 104 4.231 13.487 1.745 1.00 0.00 O ATOM 1663 OE2 GLU A 104 6.399 13.003 1.817 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.968 15.364 -2.361 1.00 0.00 O ATOM 0 H GLU A 104 4.407 12.161 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 104 4.489 15.078 -2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.704 14.841 -0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.485 13.686 -1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.771 11.841 -0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.294 12.683 -0.639 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.890 -3.169 2.897 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.853 -4.052 -0.348 1.00 0.00 C HETATM 1674 CHB HEC A 105 -0.019 -0.628 1.644 1.00 0.00 C HETATM 1675 CHC HEC A 105 0.995 -2.481 6.111 1.00 0.00 C HETATM 1676 CHD HEC A 105 4.045 -5.675 4.081 1.00 0.00 C HETATM 1677 NA HEC A 105 1.436 -2.503 0.961 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.965 -2.999 -0.198 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.503 -2.175 -1.292 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.627 -1.254 -0.744 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.650 -1.428 0.699 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.239 -0.285 -1.520 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.889 -2.320 -2.766 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.371 -2.598 -3.113 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.834 -2.021 -4.448 1.00 0.00 C HETATM 1686 O1A HEC A 105 4.318 -0.869 -4.441 1.00 0.00 O HETATM 1687 O2A HEC A 105 3.741 -2.765 -5.451 1.00 0.00 O HETATM 1688 NB HEC A 105 0.705 -1.811 3.729 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.031 -0.848 3.038 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.617 -0.015 4.025 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.389 -0.570 5.271 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.484 -1.696 5.074 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.282 1.301 3.722 1.00 0.00 C HETATM 1694 CAB HEC A 105 -0.984 -0.164 6.608 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.501 -0.345 6.639 1.00 0.00 C HETATM 1696 NC HEC A 105 2.393 -3.963 4.751 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.905 -3.498 5.919 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.529 -4.227 6.993 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.484 -5.035 6.423 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.309 -4.940 4.994 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.268 -4.012 8.463 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.711 -5.617 7.096 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.460 -6.888 7.906 1.00 0.00 C HETATM 1704 ND HEC A 105 3.215 -4.612 2.021 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.964 -5.510 2.711 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.677 -6.322 1.755 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.351 -5.861 0.503 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.417 -4.773 0.688 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.513 -7.542 2.045 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.844 -6.454 -0.806 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.784 -6.769 -1.874 1.00 0.00 C HETATM 1712 CGD HEC A 105 2.403 -6.980 -1.282 1.00 0.00 C HETATM 1713 O1D HEC A 105 1.473 -6.239 -1.669 1.00 0.00 O HETATM 1714 O2D HEC A 105 2.288 -7.882 -0.437 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.330 -7.272 2.714 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 4.893 -8.304 2.518 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.921 -7.933 1.113 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.523 -2.987 8.732 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.214 -4.191 8.675 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.878 -4.703 9.046 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.550 1.990 3.301 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.088 1.145 3.005 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.691 1.722 4.641 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.394 0.368 -2.121 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -0.911 -0.841 -2.174 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.825 0.316 -0.825 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 3.745 -5.952 -2.594 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 4.081 -7.663 -2.422 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.739 -6.679 8.697 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 4.065 -7.665 7.251 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.396 -7.228 8.349 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.957 0.270 5.863 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.746 -1.392 6.462 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.884 -0.043 7.614 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.998 -2.191 -2.320 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.531 -3.676 -3.124 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 5.567 -5.763 -1.240 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.380 -7.375 -0.579 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.292 -3.128 -3.188 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 1.594 -1.404 -3.278 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.730 -6.430 4.466 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.655 -2.278 7.127 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.611 0.211 1.278 1.00 0.00 H new HETATM 0 HHA HEC A 105 3.129 -4.334 -1.364 1.00 0.00 H new HETATM 0 H2A HEC A 105 3.877 -2.236 -6.265 1.00 0.00 H new