USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 102 THR OG1 : rot -90:sc= 1.32 USER MOD Set 1.2: A 103 ASN : amide:sc= 1.12 K(o=2.4,f=1.1) USER MOD Set 2.1: A 67 TYR OH : rot -21:sc= 0.47 USER MOD Set 2.2: A 78 THR OG1 : rot 68:sc= 1.95 USER MOD Set 3.1: A 49 THR OG1 : rot 180:sc= 0.0373 USER MOD Set 3.2: A 105 HEC O2D : rot -142:sc= 0.793 USER MOD Set 4.1: A 40 THR OG1 : rot 100:sc= 1.64 USER MOD Set 4.2: A 48 TYR OH : rot 180:sc= -0.49 USER MOD Set 4.3: A 105 HEC O2A : rot -92:sc= 2.44 USER MOD Set 5.1: A 12 GLN : amide:sc= 0.955 K(o=2,f=-8.1!) USER MOD Set 5.2: A 13 LYS NZ :NH3+ 160:sc= 1.07 (180deg=-0.605) USER MOD Single : A 1 GLY N :NH3+ -167:sc= 1.23 (180deg=1.11) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 147:sc= 0.918 (180deg=-1.05!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0394 X(o=-0.039,f=-0.039) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 157:sc= -0.0517 (180deg=-0.346) USER MOD Single : A 26 HIS : no HD1:sc= -2.15 K(o=-2.1,f=-1.5) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 31 ASN : amide:sc= 0.0747 K(o=0.075,f=-2.4!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= -0.007 (180deg=-0.128) USER MOD Single : A 42 GLN : amide:sc= 0.951 K(o=0.95,f=-0.032) USER MOD Single : A 47 THR OG1 : rot -51:sc= 0.232 USER MOD Single : A 52 ASN : amide:sc= 1.02 K(o=1,f=-1.1!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0303 K(o=-0.03,f=-0.63) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.15) USER MOD Single : A 63 THR OG1 : rot -156:sc= 0.645 USER MOD Single : A 65 MET CE :methyl -173:sc= -0.0341 (180deg=-0.1) USER MOD Single : A 70 ASN : amide:sc= 1.1 K(o=1.1,f=-0.43) USER MOD Single : A 72 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.12) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -15:sc=-0.00979 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.0709 (180deg=-0.0709) USER MOD Single : A 86 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.17) 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= 0.0573 USER MOD Single : A 97 TYR OH : rot -150:sc= 0.855 USER MOD Single : A 99 LYS NZ :NH3+ 166:sc= 1.21 (180deg=0.875) USER MOD Single : A 100 LYS NZ :NH3+ -159:sc= -0.125 (180deg=-0.721) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.458 9.697 6.144 1.00 0.00 N ATOM 2 CA GLY A 1 -10.095 9.998 4.752 1.00 0.00 C ATOM 3 C GLY A 1 -9.614 11.434 4.564 1.00 0.00 C ATOM 4 O GLY A 1 -10.215 12.191 3.808 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.564 8.669 6.261 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.711 10.042 6.780 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.356 10.166 6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.312 9.312 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.958 9.822 4.110 1.00 0.00 H new ATOM 10 N ASP A 2 -8.534 11.794 5.260 1.00 0.00 N ATOM 11 CA ASP A 2 -7.814 13.053 5.117 1.00 0.00 C ATOM 12 C ASP A 2 -6.320 12.740 4.949 1.00 0.00 C ATOM 13 O ASP A 2 -5.878 11.633 5.249 1.00 0.00 O ATOM 14 CB ASP A 2 -8.103 13.945 6.334 1.00 0.00 C ATOM 15 CG ASP A 2 -6.988 14.948 6.545 1.00 0.00 C ATOM 16 OD1 ASP A 2 -6.755 15.748 5.614 1.00 0.00 O ATOM 17 OD2 ASP A 2 -6.266 14.781 7.548 1.00 0.00 O ATOM 0 H ASP A 2 -8.122 11.187 5.969 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.142 13.603 4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.047 14.470 6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.215 13.327 7.225 1.00 0.00 H new ATOM 22 N VAL A 3 -5.542 13.702 4.453 1.00 0.00 N ATOM 23 CA VAL A 3 -4.115 13.561 4.220 1.00 0.00 C ATOM 24 C VAL A 3 -3.335 13.573 5.536 1.00 0.00 C ATOM 25 O VAL A 3 -2.438 12.749 5.723 1.00 0.00 O ATOM 26 CB VAL A 3 -3.640 14.660 3.249 1.00 0.00 C ATOM 27 CG1 VAL A 3 -2.117 14.650 3.065 1.00 0.00 C ATOM 28 CG2 VAL A 3 -4.299 14.485 1.872 1.00 0.00 C ATOM 0 H VAL A 3 -5.901 14.622 4.198 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.921 12.593 3.758 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.932 15.613 3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.829 15.441 2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.633 14.816 4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.805 13.686 2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.952 15.270 1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.031 13.511 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.382 14.550 1.976 1.00 0.00 H new ATOM 38 N GLU A 4 -3.635 14.510 6.440 1.00 0.00 N ATOM 39 CA GLU A 4 -2.909 14.630 7.698 1.00 0.00 C ATOM 40 C GLU A 4 -3.198 13.396 8.547 1.00 0.00 C ATOM 41 O GLU A 4 -2.284 12.726 9.030 1.00 0.00 O ATOM 42 CB GLU A 4 -3.330 15.904 8.442 1.00 0.00 C ATOM 43 CG GLU A 4 -2.846 17.195 7.764 1.00 0.00 C ATOM 44 CD GLU A 4 -1.502 17.653 8.315 1.00 0.00 C ATOM 45 OE1 GLU A 4 -1.447 17.949 9.525 1.00 0.00 O ATOM 46 OE2 GLU A 4 -0.531 17.652 7.526 1.00 0.00 O ATOM 0 H GLU A 4 -4.379 15.197 6.319 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.839 14.698 7.500 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.417 15.928 8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.939 15.868 9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.762 17.032 6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.586 17.982 7.910 1.00 0.00 H new ATOM 53 N LYS A 5 -4.484 13.095 8.711 1.00 0.00 N ATOM 54 CA LYS A 5 -4.927 11.914 9.426 1.00 0.00 C ATOM 55 C LYS A 5 -4.368 10.679 8.733 1.00 0.00 C ATOM 56 O LYS A 5 -3.702 9.875 9.382 1.00 0.00 O ATOM 57 CB LYS A 5 -6.454 11.910 9.536 1.00 0.00 C ATOM 58 CG LYS A 5 -6.964 12.976 10.513 1.00 0.00 C ATOM 59 CD LYS A 5 -6.969 12.398 11.937 1.00 0.00 C ATOM 60 CE LYS A 5 -7.367 13.459 12.969 1.00 0.00 C ATOM 61 NZ LYS A 5 -7.504 12.882 14.323 1.00 0.00 N ATOM 0 H LYS A 5 -5.246 13.669 8.349 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.548 11.913 10.448 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.889 12.083 8.552 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.791 10.927 9.864 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.328 13.860 10.469 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.969 13.292 10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.663 11.559 11.989 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.980 12.008 12.177 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.617 14.250 12.985 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.310 13.919 12.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.774 13.630 14.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.237 12.144 14.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.597 12.465 14.616 1.00 0.00 H new ATOM 75 N GLY A 6 -4.543 10.574 7.413 1.00 0.00 N ATOM 76 CA GLY A 6 -4.093 9.411 6.668 1.00 0.00 C ATOM 77 C GLY A 6 -2.615 9.151 6.917 1.00 0.00 C ATOM 78 O GLY A 6 -2.244 8.039 7.281 1.00 0.00 O ATOM 0 H GLY A 6 -4.996 11.288 6.842 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.675 8.538 6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.266 9.566 5.603 1.00 0.00 H new ATOM 82 N LYS A 7 -1.763 10.168 6.752 1.00 0.00 N ATOM 83 CA LYS A 7 -0.328 9.972 6.882 1.00 0.00 C ATOM 84 C LYS A 7 0.083 9.597 8.302 1.00 0.00 C ATOM 85 O LYS A 7 1.013 8.815 8.493 1.00 0.00 O ATOM 86 CB LYS A 7 0.459 11.109 6.219 1.00 0.00 C ATOM 87 CG LYS A 7 0.641 12.308 7.129 1.00 0.00 C ATOM 88 CD LYS A 7 0.951 13.563 6.300 1.00 0.00 C ATOM 89 CE LYS A 7 1.151 14.791 7.200 1.00 0.00 C ATOM 90 NZ LYS A 7 1.044 16.054 6.443 1.00 0.00 N ATOM 0 H LYS A 7 -2.045 11.123 6.531 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.042 9.090 6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.438 10.738 5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.059 11.422 5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.262 12.467 7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.451 12.119 7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.849 13.396 5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.136 13.750 5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.407 14.782 7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.130 14.736 7.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.634 16.790 7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.990 16.352 6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.433 15.911 5.614 1.00 0.00 H new ATOM 104 N LYS A 8 -0.639 10.106 9.301 1.00 0.00 N ATOM 105 CA LYS A 8 -0.331 9.811 10.688 1.00 0.00 C ATOM 106 C LYS A 8 -0.702 8.367 10.998 1.00 0.00 C ATOM 107 O LYS A 8 0.102 7.617 11.549 1.00 0.00 O ATOM 108 CB LYS A 8 -1.076 10.784 11.616 1.00 0.00 C ATOM 109 CG LYS A 8 -0.533 12.218 11.516 1.00 0.00 C ATOM 110 CD LYS A 8 0.502 12.558 12.601 1.00 0.00 C ATOM 111 CE LYS A 8 1.734 11.639 12.569 1.00 0.00 C ATOM 112 NZ LYS A 8 2.783 12.068 13.516 1.00 0.00 N ATOM 0 H LYS A 8 -1.440 10.724 9.169 1.00 0.00 H new ATOM 0 HA LYS A 8 0.738 9.938 10.857 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.137 10.781 11.365 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.991 10.437 12.646 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.079 12.359 10.535 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.365 12.919 11.586 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.824 13.592 12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.029 12.488 13.581 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.429 10.620 12.806 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.145 11.622 11.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.592 11.417 13.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.095 13.031 13.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.402 12.059 14.484 1.00 0.00 H new ATOM 126 N ILE A 9 -1.929 7.985 10.654 1.00 0.00 N ATOM 127 CA ILE A 9 -2.469 6.688 10.982 1.00 0.00 C ATOM 128 C ILE A 9 -1.702 5.638 10.181 1.00 0.00 C ATOM 129 O ILE A 9 -1.291 4.620 10.731 1.00 0.00 O ATOM 130 CB ILE A 9 -3.975 6.731 10.697 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.734 7.667 11.660 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.579 5.335 10.769 1.00 0.00 C ATOM 133 CD1 ILE A 9 -4.898 7.119 13.086 1.00 0.00 C ATOM 0 H ILE A 9 -2.575 8.580 10.135 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.351 6.420 12.032 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.085 7.129 9.688 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.208 8.620 11.709 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.722 7.869 11.246 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.648 5.390 10.563 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.100 4.693 10.030 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.422 4.922 11.765 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.443 7.842 13.693 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.453 6.181 13.054 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.915 6.944 13.524 1.00 0.00 H new ATOM 145 N PHE A 10 -1.441 5.922 8.903 1.00 0.00 N ATOM 146 CA PHE A 10 -0.520 5.151 8.087 1.00 0.00 C ATOM 147 C PHE A 10 0.776 4.911 8.839 1.00 0.00 C ATOM 148 O PHE A 10 1.073 3.777 9.195 1.00 0.00 O ATOM 149 CB PHE A 10 -0.255 5.903 6.772 1.00 0.00 C ATOM 150 CG PHE A 10 0.881 5.364 5.930 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.668 4.297 5.055 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.192 5.813 6.147 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.760 3.648 4.462 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.290 5.142 5.608 1.00 0.00 C ATOM 155 CZ PHE A 10 3.070 4.053 4.754 1.00 0.00 C ATOM 0 H PHE A 10 -1.871 6.703 8.407 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.961 4.181 7.859 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.166 5.886 6.174 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.047 6.947 7.007 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.338 3.972 4.835 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.355 6.698 6.745 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.591 2.831 3.776 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.295 5.457 5.846 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.908 3.527 4.322 1.00 0.00 H new ATOM 165 N VAL A 11 1.551 5.959 9.109 1.00 0.00 N ATOM 166 CA VAL A 11 2.834 5.788 9.751 1.00 0.00 C ATOM 167 C VAL A 11 2.676 4.999 11.064 1.00 0.00 C ATOM 168 O VAL A 11 3.528 4.177 11.394 1.00 0.00 O ATOM 169 CB VAL A 11 3.529 7.159 9.886 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.603 7.139 10.969 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.160 7.665 8.580 1.00 0.00 C ATOM 0 H VAL A 11 1.308 6.925 8.892 1.00 0.00 H new ATOM 0 HA VAL A 11 3.500 5.179 9.140 1.00 0.00 H new ATOM 0 HB VAL A 11 2.730 7.847 10.160 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.071 8.121 11.036 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.149 6.888 11.927 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.358 6.394 10.719 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.629 8.633 8.754 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.912 6.953 8.240 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.387 7.768 7.818 1.00 0.00 H new ATOM 181 N GLN A 12 1.569 5.190 11.790 1.00 0.00 N ATOM 182 CA GLN A 12 1.303 4.446 13.012 1.00 0.00 C ATOM 183 C GLN A 12 1.253 2.918 12.807 1.00 0.00 C ATOM 184 O GLN A 12 1.601 2.200 13.742 1.00 0.00 O ATOM 185 CB GLN A 12 0.024 4.959 13.695 1.00 0.00 C ATOM 186 CG GLN A 12 0.063 4.698 15.210 1.00 0.00 C ATOM 187 CD GLN A 12 -1.322 4.553 15.839 1.00 0.00 C ATOM 188 OE1 GLN A 12 -2.251 4.025 15.225 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.466 4.971 17.093 1.00 0.00 N ATOM 0 H GLN A 12 0.841 5.861 11.544 1.00 0.00 H new ATOM 0 HA GLN A 12 2.152 4.628 13.671 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.088 6.027 13.510 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.846 4.467 13.260 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.636 3.791 15.400 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.591 5.517 15.698 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.681 5.405 17.579 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.361 4.858 17.569 1.00 0.00 H new ATOM 198 N LYS A 13 0.780 2.398 11.658 1.00 0.00 N ATOM 199 CA LYS A 13 0.642 0.943 11.464 1.00 0.00 C ATOM 200 C LYS A 13 1.112 0.370 10.118 1.00 0.00 C ATOM 201 O LYS A 13 0.947 -0.827 9.888 1.00 0.00 O ATOM 202 CB LYS A 13 -0.781 0.484 11.787 1.00 0.00 C ATOM 203 CG LYS A 13 -1.854 1.137 10.919 1.00 0.00 C ATOM 204 CD LYS A 13 -2.651 2.163 11.724 1.00 0.00 C ATOM 205 CE LYS A 13 -3.590 1.550 12.774 1.00 0.00 C ATOM 206 NZ LYS A 13 -3.065 1.708 14.148 1.00 0.00 N ATOM 0 H LYS A 13 0.490 2.959 10.857 1.00 0.00 H new ATOM 0 HA LYS A 13 1.352 0.523 12.177 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.839 -0.598 11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.993 0.700 12.834 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.389 1.623 10.061 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.526 0.373 10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.954 2.835 12.225 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.240 2.769 11.036 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.570 2.023 12.704 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.731 0.491 12.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.842 1.602 14.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.343 0.982 14.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.640 2.652 14.251 1.00 0.00 H new ATOM 220 N CYS A 14 1.691 1.183 9.239 1.00 0.00 N ATOM 221 CA CYS A 14 2.130 0.769 7.912 1.00 0.00 C ATOM 222 C CYS A 14 3.641 0.997 7.810 1.00 0.00 C ATOM 223 O CYS A 14 4.363 0.120 7.351 1.00 0.00 O ATOM 224 CB CYS A 14 1.428 1.545 6.822 1.00 0.00 C ATOM 225 SG CYS A 14 -0.395 1.638 6.847 1.00 0.00 S ATOM 0 H CYS A 14 1.871 2.168 9.434 1.00 0.00 H new ATOM 0 HA CYS A 14 1.884 -0.284 7.776 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.811 2.565 6.843 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.724 1.113 5.866 1.00 0.00 H new ATOM 230 N ALA A 15 4.131 2.168 8.243 1.00 0.00 N ATOM 231 CA ALA A 15 5.528 2.588 8.090 1.00 0.00 C ATOM 232 C ALA A 15 6.555 1.590 8.604 1.00 0.00 C ATOM 233 O ALA A 15 7.628 1.484 8.017 1.00 0.00 O ATOM 234 CB ALA A 15 5.773 3.930 8.754 1.00 0.00 C ATOM 0 H ALA A 15 3.554 2.862 8.719 1.00 0.00 H new ATOM 0 HA ALA A 15 5.670 2.659 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.817 4.215 8.624 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.131 4.684 8.298 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.547 3.856 9.818 1.00 0.00 H new ATOM 240 N GLN A 16 6.249 0.867 9.686 1.00 0.00 N ATOM 241 CA GLN A 16 7.107 -0.198 10.185 1.00 0.00 C ATOM 242 C GLN A 16 7.554 -1.110 9.036 1.00 0.00 C ATOM 243 O GLN A 16 8.707 -1.535 8.992 1.00 0.00 O ATOM 244 CB GLN A 16 6.356 -0.978 11.278 1.00 0.00 C ATOM 245 CG GLN A 16 7.284 -1.350 12.437 1.00 0.00 C ATOM 246 CD GLN A 16 8.397 -2.317 12.036 1.00 0.00 C ATOM 247 OE1 GLN A 16 9.577 -1.998 12.138 1.00 0.00 O ATOM 248 NE2 GLN A 16 8.030 -3.514 11.589 1.00 0.00 N ATOM 0 H GLN A 16 5.401 1.007 10.235 1.00 0.00 H new ATOM 0 HA GLN A 16 8.010 0.227 10.623 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.527 -0.377 11.652 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.925 -1.883 10.850 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.730 -0.442 12.842 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.694 -1.798 13.236 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.040 -3.750 11.516 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.738 -4.197 11.319 1.00 0.00 H new ATOM 257 N CYS A 17 6.627 -1.379 8.112 1.00 0.00 N ATOM 258 CA CYS A 17 6.870 -2.120 6.893 1.00 0.00 C ATOM 259 C CYS A 17 7.213 -1.193 5.710 1.00 0.00 C ATOM 260 O CYS A 17 8.012 -1.596 4.876 1.00 0.00 O ATOM 261 CB CYS A 17 5.694 -3.017 6.592 1.00 0.00 C ATOM 262 SG CYS A 17 5.456 -4.295 7.874 1.00 0.00 S ATOM 0 H CYS A 17 5.659 -1.072 8.205 1.00 0.00 H new ATOM 0 HA CYS A 17 7.748 -2.749 7.044 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.790 -2.413 6.511 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.844 -3.498 5.625 1.00 0.00 H new ATOM 267 N HIS A 18 6.624 0.014 5.603 1.00 0.00 N ATOM 268 CA HIS A 18 6.658 0.850 4.394 1.00 0.00 C ATOM 269 C HIS A 18 7.063 2.303 4.670 1.00 0.00 C ATOM 270 O HIS A 18 6.191 3.157 4.814 1.00 0.00 O ATOM 271 CB HIS A 18 5.248 0.906 3.795 1.00 0.00 C ATOM 272 CG HIS A 18 4.760 -0.372 3.199 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.002 -0.767 1.909 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.703 -1.096 3.676 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.119 -1.729 1.620 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.325 -1.991 2.664 1.00 0.00 N ATOM 0 H HIS A 18 6.103 0.440 6.370 1.00 0.00 H new ATOM 0 HA HIS A 18 7.395 0.399 3.730 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.551 1.214 4.575 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.228 1.678 3.026 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.720 -0.397 1.287 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.245 -0.997 4.649 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.055 -2.230 0.666 1.00 0.00 H new ATOM 284 N THR A 19 8.342 2.664 4.662 1.00 0.00 N ATOM 285 CA THR A 19 8.721 4.031 5.007 1.00 0.00 C ATOM 286 C THR A 19 8.589 5.019 3.826 1.00 0.00 C ATOM 287 O THR A 19 9.524 5.752 3.496 1.00 0.00 O ATOM 288 CB THR A 19 10.118 4.004 5.630 1.00 0.00 C ATOM 289 OG1 THR A 19 11.046 3.421 4.733 1.00 0.00 O ATOM 290 CG2 THR A 19 10.133 3.191 6.929 1.00 0.00 C ATOM 0 H THR A 19 9.118 2.046 4.426 1.00 0.00 H new ATOM 0 HA THR A 19 8.017 4.421 5.742 1.00 0.00 H new ATOM 0 HB THR A 19 10.395 5.036 5.845 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.936 3.412 5.143 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.140 3.191 7.347 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.443 3.637 7.645 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.827 2.166 6.720 1.00 0.00 H new ATOM 298 N VAL A 20 7.410 5.090 3.195 1.00 0.00 N ATOM 299 CA VAL A 20 7.096 6.072 2.173 1.00 0.00 C ATOM 300 C VAL A 20 6.813 7.426 2.846 1.00 0.00 C ATOM 301 O VAL A 20 5.665 7.783 3.123 1.00 0.00 O ATOM 302 CB VAL A 20 5.980 5.543 1.255 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.731 5.056 1.994 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.614 6.594 0.207 1.00 0.00 C ATOM 0 H VAL A 20 6.640 4.451 3.391 1.00 0.00 H new ATOM 0 HA VAL A 20 7.942 6.243 1.508 1.00 0.00 H new ATOM 0 HB VAL A 20 6.389 4.659 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.996 4.701 1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.001 4.242 2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.306 5.878 2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.823 6.207 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.266 7.499 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.491 6.827 -0.397 1.00 0.00 H new ATOM 314 N GLU A 21 7.886 8.171 3.122 1.00 0.00 N ATOM 315 CA GLU A 21 7.838 9.483 3.751 1.00 0.00 C ATOM 316 C GLU A 21 9.188 10.176 3.572 1.00 0.00 C ATOM 317 O GLU A 21 9.245 11.373 3.319 1.00 0.00 O ATOM 318 CB GLU A 21 7.440 9.368 5.230 1.00 0.00 C ATOM 319 CG GLU A 21 8.327 8.415 6.046 1.00 0.00 C ATOM 320 CD GLU A 21 7.855 8.347 7.490 1.00 0.00 C ATOM 321 OE1 GLU A 21 8.010 9.385 8.174 1.00 0.00 O ATOM 322 OE2 GLU A 21 7.359 7.268 7.876 1.00 0.00 O ATOM 0 H GLU A 21 8.835 7.866 2.906 1.00 0.00 H new ATOM 0 HA GLU A 21 7.073 10.091 3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.477 10.359 5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.406 9.027 5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.304 7.419 5.603 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.362 8.755 6.012 1.00 0.00 H new ATOM 329 N LYS A 22 10.284 9.423 3.719 1.00 0.00 N ATOM 330 CA LYS A 22 11.630 9.878 3.435 1.00 0.00 C ATOM 331 C LYS A 22 12.579 8.687 3.524 1.00 0.00 C ATOM 332 O LYS A 22 12.210 7.635 4.044 1.00 0.00 O ATOM 333 CB LYS A 22 12.041 10.999 4.396 1.00 0.00 C ATOM 334 CG LYS A 22 11.587 10.761 5.842 1.00 0.00 C ATOM 335 CD LYS A 22 12.458 11.563 6.818 1.00 0.00 C ATOM 336 CE LYS A 22 11.734 11.782 8.153 1.00 0.00 C ATOM 337 NZ LYS A 22 10.795 12.920 8.085 1.00 0.00 N ATOM 0 H LYS A 22 10.248 8.458 4.047 1.00 0.00 H new ATOM 0 HA LYS A 22 11.674 10.293 2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.126 11.104 4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.623 11.942 4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.543 11.052 5.954 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.649 9.699 6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.396 11.035 6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.712 12.527 6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.190 10.877 8.425 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.467 11.962 8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.325 13.037 9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.318 13.788 7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.081 12.737 7.352 1.00 0.00 H new ATOM 351 N GLY A 23 13.794 8.845 2.997 1.00 0.00 N ATOM 352 CA GLY A 23 14.788 7.785 2.933 1.00 0.00 C ATOM 353 C GLY A 23 14.432 6.815 1.811 1.00 0.00 C ATOM 354 O GLY A 23 15.151 6.727 0.821 1.00 0.00 O ATOM 0 H GLY A 23 14.115 9.727 2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.777 8.210 2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.831 7.256 3.885 1.00 0.00 H new ATOM 358 N GLY A 24 13.300 6.122 1.963 1.00 0.00 N ATOM 359 CA GLY A 24 12.806 5.147 1.005 1.00 0.00 C ATOM 360 C GLY A 24 13.603 3.850 1.092 1.00 0.00 C ATOM 361 O GLY A 24 14.783 3.797 0.754 1.00 0.00 O ATOM 0 H GLY A 24 12.693 6.231 2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.752 4.945 1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.875 5.554 -0.004 1.00 0.00 H new ATOM 365 N LYS A 25 12.958 2.791 1.574 1.00 0.00 N ATOM 366 CA LYS A 25 13.566 1.492 1.788 1.00 0.00 C ATOM 367 C LYS A 25 12.423 0.477 1.867 1.00 0.00 C ATOM 368 O LYS A 25 11.292 0.876 2.132 1.00 0.00 O ATOM 369 CB LYS A 25 14.382 1.574 3.093 1.00 0.00 C ATOM 370 CG LYS A 25 15.690 0.776 3.079 1.00 0.00 C ATOM 371 CD LYS A 25 15.465 -0.716 3.365 1.00 0.00 C ATOM 372 CE LYS A 25 16.604 -1.322 4.197 1.00 0.00 C ATOM 373 NZ LYS A 25 16.677 -0.741 5.556 1.00 0.00 N ATOM 0 H LYS A 25 11.972 2.819 1.832 1.00 0.00 H new ATOM 0 HA LYS A 25 14.243 1.188 0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.612 2.620 3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.763 1.217 3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.172 0.889 2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.372 1.188 3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.521 -0.845 3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.378 -1.256 2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.462 -2.400 4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.552 -1.160 3.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.161 -1.406 6.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.206 0.154 5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.715 -0.562 5.909 1.00 0.00 H new ATOM 387 N HIS A 26 12.707 -0.811 1.635 1.00 0.00 N ATOM 388 CA HIS A 26 11.742 -1.885 1.847 1.00 0.00 C ATOM 389 C HIS A 26 11.487 -2.011 3.361 1.00 0.00 C ATOM 390 O HIS A 26 10.771 -1.212 3.945 1.00 0.00 O ATOM 391 CB HIS A 26 12.249 -3.166 1.142 1.00 0.00 C ATOM 392 CG HIS A 26 11.581 -4.484 1.461 1.00 0.00 C ATOM 393 ND1 HIS A 26 12.222 -5.608 1.939 1.00 0.00 N ATOM 394 CD2 HIS A 26 10.295 -4.847 1.177 1.00 0.00 C ATOM 395 CE1 HIS A 26 11.322 -6.605 1.986 1.00 0.00 C ATOM 396 NE2 HIS A 26 10.124 -6.180 1.561 1.00 0.00 N ATOM 0 H HIS A 26 13.613 -1.133 1.295 1.00 0.00 H new ATOM 0 HA HIS A 26 10.771 -1.680 1.396 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.167 -3.006 0.067 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.310 -3.270 1.369 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.541 -4.214 0.733 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.535 -7.610 2.320 1.00 0.00 H new ATOM 0 HE2 HIS A 26 9.260 -6.721 1.525 1.00 0.00 H new ATOM 404 N LYS A 27 12.135 -2.979 4.014 1.00 0.00 N ATOM 405 CA LYS A 27 11.950 -3.338 5.425 1.00 0.00 C ATOM 406 C LYS A 27 10.628 -4.093 5.622 1.00 0.00 C ATOM 407 O LYS A 27 9.884 -3.832 6.559 1.00 0.00 O ATOM 408 CB LYS A 27 12.085 -2.119 6.368 1.00 0.00 C ATOM 409 CG LYS A 27 12.233 -2.488 7.856 1.00 0.00 C ATOM 410 CD LYS A 27 13.676 -2.802 8.268 1.00 0.00 C ATOM 411 CE LYS A 27 13.661 -3.533 9.622 1.00 0.00 C ATOM 412 NZ LYS A 27 15.007 -3.668 10.216 1.00 0.00 N ATOM 0 H LYS A 27 12.835 -3.561 3.554 1.00 0.00 H new ATOM 0 HA LYS A 27 12.759 -4.013 5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.951 -1.531 6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.209 -1.482 6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.861 -1.664 8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.606 -3.353 8.072 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.158 -3.421 7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.255 -1.882 8.343 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.016 -2.992 10.314 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.226 -4.524 9.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.937 -4.167 11.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.619 -4.208 9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.415 -2.724 10.370 1.00 0.00 H new ATOM 426 N THR A 28 10.383 -5.115 4.802 1.00 0.00 N ATOM 427 CA THR A 28 9.201 -5.976 4.884 1.00 0.00 C ATOM 428 C THR A 28 7.983 -5.298 4.256 1.00 0.00 C ATOM 429 O THR A 28 6.863 -5.715 4.515 1.00 0.00 O ATOM 430 CB THR A 28 8.891 -6.449 6.326 1.00 0.00 C ATOM 431 OG1 THR A 28 10.078 -6.564 7.084 1.00 0.00 O ATOM 432 CG2 THR A 28 8.171 -7.804 6.361 1.00 0.00 C ATOM 0 H THR A 28 11.015 -5.374 4.044 1.00 0.00 H new ATOM 0 HA THR A 28 9.435 -6.873 4.311 1.00 0.00 H new ATOM 0 HB THR A 28 8.234 -5.691 6.753 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.859 -6.862 7.991 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.978 -8.087 7.396 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.226 -7.728 5.824 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.797 -8.561 5.888 1.00 0.00 H new ATOM 440 N GLY A 29 8.174 -4.293 3.405 1.00 0.00 N ATOM 441 CA GLY A 29 7.081 -3.628 2.723 1.00 0.00 C ATOM 442 C GLY A 29 7.734 -2.669 1.745 1.00 0.00 C ATOM 443 O GLY A 29 8.604 -1.906 2.143 1.00 0.00 O ATOM 0 H GLY A 29 9.095 -3.921 3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.448 -4.347 2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.445 -3.095 3.429 1.00 0.00 H new ATOM 447 N PRO A 30 7.462 -2.762 0.442 1.00 0.00 N ATOM 448 CA PRO A 30 8.186 -1.964 -0.531 1.00 0.00 C ATOM 449 C PRO A 30 7.857 -0.492 -0.291 1.00 0.00 C ATOM 450 O PRO A 30 6.682 -0.155 -0.171 1.00 0.00 O ATOM 451 CB PRO A 30 7.711 -2.464 -1.899 1.00 0.00 C ATOM 452 CG PRO A 30 6.345 -3.087 -1.599 1.00 0.00 C ATOM 453 CD PRO A 30 6.478 -3.621 -0.179 1.00 0.00 C ATOM 0 HA PRO A 30 9.270 -2.057 -0.462 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.631 -1.649 -2.618 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.401 -3.195 -2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.546 -2.349 -1.673 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.108 -3.885 -2.303 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.526 -3.581 0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.801 -4.662 -0.175 1.00 0.00 H new ATOM 461 N ASN A 31 8.863 0.388 -0.204 1.00 0.00 N ATOM 462 CA ASN A 31 8.614 1.826 -0.239 1.00 0.00 C ATOM 463 C ASN A 31 7.718 2.162 -1.432 1.00 0.00 C ATOM 464 O ASN A 31 8.164 2.119 -2.574 1.00 0.00 O ATOM 465 CB ASN A 31 9.911 2.640 -0.288 1.00 0.00 C ATOM 466 CG ASN A 31 10.908 2.144 -1.333 1.00 0.00 C ATOM 467 OD1 ASN A 31 11.487 1.072 -1.176 1.00 0.00 O ATOM 468 ND2 ASN A 31 11.147 2.925 -2.384 1.00 0.00 N ATOM 0 H ASN A 31 9.845 0.129 -0.110 1.00 0.00 H new ATOM 0 HA ASN A 31 8.108 2.101 0.686 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.668 3.682 -0.496 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.384 2.613 0.694 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.828 2.639 -3.088 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.649 3.810 -2.486 1.00 0.00 H new ATOM 475 N LEU A 32 6.449 2.459 -1.140 1.00 0.00 N ATOM 476 CA LEU A 32 5.363 2.501 -2.108 1.00 0.00 C ATOM 477 C LEU A 32 5.733 3.379 -3.305 1.00 0.00 C ATOM 478 O LEU A 32 5.584 2.954 -4.447 1.00 0.00 O ATOM 479 CB LEU A 32 4.078 2.989 -1.420 1.00 0.00 C ATOM 480 CG LEU A 32 3.619 2.135 -0.222 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.341 2.717 0.389 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.338 0.685 -0.615 1.00 0.00 C ATOM 0 H LEU A 32 6.145 2.683 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 32 5.186 1.497 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.232 4.013 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.276 3.015 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 32 4.436 2.152 0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.029 2.103 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.532 3.734 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.551 2.728 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.018 0.125 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.551 0.658 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.244 0.236 -1.021 1.00 0.00 H new ATOM 494 N HIS A 33 6.240 4.586 -3.025 1.00 0.00 N ATOM 495 CA HIS A 33 6.923 5.480 -3.958 1.00 0.00 C ATOM 496 C HIS A 33 6.028 6.043 -5.069 1.00 0.00 C ATOM 497 O HIS A 33 5.889 7.255 -5.177 1.00 0.00 O ATOM 498 CB HIS A 33 8.187 4.816 -4.522 1.00 0.00 C ATOM 499 CG HIS A 33 9.004 5.745 -5.385 1.00 0.00 C ATOM 500 ND1 HIS A 33 9.669 6.872 -4.958 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.167 5.656 -6.741 1.00 0.00 C ATOM 502 CE1 HIS A 33 10.229 7.442 -6.039 1.00 0.00 C ATOM 503 NE2 HIS A 33 9.952 6.737 -7.149 1.00 0.00 N ATOM 0 H HIS A 33 6.179 4.984 -2.088 1.00 0.00 H new ATOM 0 HA HIS A 33 7.216 6.352 -3.374 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.803 4.460 -3.696 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.902 3.942 -5.107 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.761 4.887 -7.381 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.822 8.345 -6.018 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.255 6.949 -8.100 1.00 0.00 H new ATOM 511 N GLY A 34 5.454 5.185 -5.910 1.00 0.00 N ATOM 512 CA GLY A 34 4.642 5.563 -7.049 1.00 0.00 C ATOM 513 C GLY A 34 3.645 4.446 -7.336 1.00 0.00 C ATOM 514 O GLY A 34 3.942 3.555 -8.125 1.00 0.00 O ATOM 0 H GLY A 34 5.549 4.175 -5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.115 6.495 -6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.273 5.738 -7.920 1.00 0.00 H new ATOM 518 N LEU A 35 2.468 4.497 -6.708 1.00 0.00 N ATOM 519 CA LEU A 35 1.406 3.516 -6.904 1.00 0.00 C ATOM 520 C LEU A 35 0.458 3.991 -8.003 1.00 0.00 C ATOM 521 O LEU A 35 0.383 3.397 -9.076 1.00 0.00 O ATOM 522 CB LEU A 35 0.638 3.303 -5.592 1.00 0.00 C ATOM 523 CG LEU A 35 1.495 2.806 -4.422 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.593 2.754 -3.186 1.00 0.00 C ATOM 525 CD2 LEU A 35 2.081 1.415 -4.690 1.00 0.00 C ATOM 0 H LEU A 35 2.226 5.231 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 35 1.848 2.567 -7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.167 4.243 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.163 2.586 -5.768 1.00 0.00 H new ATOM 0 HG LEU A 35 2.336 3.484 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.169 2.404 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.203 3.750 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.236 2.071 -3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.681 1.102 -3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.271 0.703 -4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.709 1.450 -5.581 1.00 0.00 H new ATOM 537 N PHE A 36 -0.263 5.080 -7.732 1.00 0.00 N ATOM 538 CA PHE A 36 -1.319 5.595 -8.586 1.00 0.00 C ATOM 539 C PHE A 36 -0.782 5.820 -10.004 1.00 0.00 C ATOM 540 O PHE A 36 0.096 6.657 -10.224 1.00 0.00 O ATOM 541 CB PHE A 36 -1.942 6.846 -7.942 1.00 0.00 C ATOM 542 CG PHE A 36 -2.667 6.560 -6.631 1.00 0.00 C ATOM 543 CD1 PHE A 36 -1.952 6.437 -5.425 1.00 0.00 C ATOM 544 CD2 PHE A 36 -4.051 6.315 -6.631 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.584 5.953 -4.265 1.00 0.00 C ATOM 546 CE2 PHE A 36 -4.696 5.885 -5.459 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.963 5.688 -4.278 1.00 0.00 C ATOM 0 H PHE A 36 -0.120 5.638 -6.890 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.126 4.869 -8.684 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.157 7.580 -7.761 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.643 7.296 -8.645 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.909 6.717 -5.390 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.622 6.458 -7.537 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.010 5.786 -3.366 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.761 5.705 -5.467 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.457 5.335 -3.385 1.00 0.00 H new ATOM 557 N GLY A 37 -1.275 5.021 -10.957 1.00 0.00 N ATOM 558 CA GLY A 37 -0.913 5.107 -12.366 1.00 0.00 C ATOM 559 C GLY A 37 0.192 4.130 -12.784 1.00 0.00 C ATOM 560 O GLY A 37 0.384 3.918 -13.979 1.00 0.00 O ATOM 0 H GLY A 37 -1.951 4.283 -10.760 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.800 4.918 -12.971 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.588 6.124 -12.586 1.00 0.00 H new ATOM 564 N ARG A 38 0.930 3.541 -11.839 1.00 0.00 N ATOM 565 CA ARG A 38 2.019 2.614 -12.119 1.00 0.00 C ATOM 566 C ARG A 38 1.556 1.186 -11.857 1.00 0.00 C ATOM 567 O ARG A 38 1.076 0.865 -10.770 1.00 0.00 O ATOM 568 CB ARG A 38 3.225 2.989 -11.255 1.00 0.00 C ATOM 569 CG ARG A 38 4.028 4.087 -11.964 1.00 0.00 C ATOM 570 CD ARG A 38 4.798 4.982 -10.985 1.00 0.00 C ATOM 571 NE ARG A 38 5.073 6.301 -11.578 1.00 0.00 N ATOM 572 CZ ARG A 38 4.139 7.246 -11.786 1.00 0.00 C ATOM 573 NH1 ARG A 38 2.875 7.032 -11.396 1.00 0.00 N ATOM 574 NH2 ARG A 38 4.472 8.389 -12.396 1.00 0.00 N ATOM 0 H ARG A 38 0.781 3.701 -10.843 1.00 0.00 H new ATOM 0 HA ARG A 38 2.315 2.677 -13.166 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.893 3.338 -10.277 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.853 2.114 -11.085 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.731 3.627 -12.659 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.351 4.702 -12.556 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.221 5.105 -10.069 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.736 4.501 -10.709 1.00 0.00 H new ATOM 0 HE ARG A 38 6.034 6.512 -11.849 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.623 6.154 -10.942 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.165 7.747 -11.553 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.433 8.542 -12.702 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.765 9.107 -12.555 1.00 0.00 H new ATOM 588 N LYS A 39 1.689 0.326 -12.869 1.00 0.00 N ATOM 589 CA LYS A 39 1.352 -1.073 -12.722 1.00 0.00 C ATOM 590 C LYS A 39 2.341 -1.777 -11.791 1.00 0.00 C ATOM 591 O LYS A 39 3.552 -1.589 -11.928 1.00 0.00 O ATOM 592 CB LYS A 39 1.148 -1.763 -14.079 1.00 0.00 C ATOM 593 CG LYS A 39 2.396 -2.081 -14.915 1.00 0.00 C ATOM 594 CD LYS A 39 3.062 -0.829 -15.506 1.00 0.00 C ATOM 595 CE LYS A 39 4.084 -1.179 -16.599 1.00 0.00 C ATOM 596 NZ LYS A 39 3.453 -1.715 -17.823 1.00 0.00 N ATOM 0 H LYS A 39 2.029 0.584 -13.796 1.00 0.00 H new ATOM 0 HA LYS A 39 0.381 -1.148 -12.232 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.616 -2.698 -13.903 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.494 -1.132 -14.681 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.118 -2.609 -14.292 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.120 -2.755 -15.726 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.297 -0.174 -15.922 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.559 -0.273 -14.711 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.658 -0.288 -16.852 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.790 -1.912 -16.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.144 -1.711 -18.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.132 -2.689 -17.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.638 -1.123 -18.081 1.00 0.00 H new ATOM 610 N THR A 40 1.832 -2.571 -10.845 1.00 0.00 N ATOM 611 CA THR A 40 2.666 -3.407 -9.999 1.00 0.00 C ATOM 612 C THR A 40 3.130 -4.635 -10.785 1.00 0.00 C ATOM 613 O THR A 40 3.154 -4.636 -12.014 1.00 0.00 O ATOM 614 CB THR A 40 1.917 -3.757 -8.713 1.00 0.00 C ATOM 615 OG1 THR A 40 2.796 -4.363 -7.790 1.00 0.00 O ATOM 616 CG2 THR A 40 0.715 -4.685 -8.896 1.00 0.00 C ATOM 0 H THR A 40 0.834 -2.647 -10.650 1.00 0.00 H new ATOM 0 HA THR A 40 3.565 -2.868 -9.698 1.00 0.00 H new ATOM 0 HB THR A 40 1.531 -2.804 -8.351 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.080 -3.701 -7.125 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.251 -4.874 -7.928 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.010 -4.215 -9.560 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.046 -5.628 -9.330 1.00 0.00 H new ATOM 624 N GLY A 41 3.472 -5.696 -10.059 1.00 0.00 N ATOM 625 CA GLY A 41 3.909 -6.964 -10.606 1.00 0.00 C ATOM 626 C GLY A 41 5.329 -6.874 -11.175 1.00 0.00 C ATOM 627 O GLY A 41 5.683 -7.621 -12.082 1.00 0.00 O ATOM 0 H GLY A 41 3.450 -5.690 -9.039 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.876 -7.727 -9.828 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.221 -7.279 -11.391 1.00 0.00 H new ATOM 631 N GLN A 42 6.133 -5.929 -10.671 1.00 0.00 N ATOM 632 CA GLN A 42 7.416 -5.546 -11.239 1.00 0.00 C ATOM 633 C GLN A 42 8.015 -4.416 -10.395 1.00 0.00 C ATOM 634 O GLN A 42 7.547 -3.282 -10.463 1.00 0.00 O ATOM 635 CB GLN A 42 7.272 -5.092 -12.705 1.00 0.00 C ATOM 636 CG GLN A 42 6.026 -4.225 -12.962 1.00 0.00 C ATOM 637 CD GLN A 42 6.291 -3.068 -13.918 1.00 0.00 C ATOM 638 OE1 GLN A 42 6.962 -3.219 -14.933 1.00 0.00 O ATOM 639 NE2 GLN A 42 5.755 -1.887 -13.618 1.00 0.00 N ATOM 0 H GLN A 42 5.895 -5.399 -9.833 1.00 0.00 H new ATOM 0 HA GLN A 42 8.076 -6.414 -11.228 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.161 -4.530 -12.992 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.231 -5.972 -13.347 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.233 -4.851 -13.370 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.664 -3.829 -12.013 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.200 -1.780 -12.769 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.900 -1.089 -14.237 1.00 0.00 H new ATOM 648 N ALA A 43 9.051 -4.719 -9.615 1.00 0.00 N ATOM 649 CA ALA A 43 9.882 -3.728 -8.936 1.00 0.00 C ATOM 650 C ALA A 43 11.353 -4.156 -9.001 1.00 0.00 C ATOM 651 O ALA A 43 11.636 -5.352 -9.047 1.00 0.00 O ATOM 652 CB ALA A 43 9.410 -3.551 -7.488 1.00 0.00 C ATOM 0 H ALA A 43 9.342 -5.680 -9.434 1.00 0.00 H new ATOM 0 HA ALA A 43 9.787 -2.764 -9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.035 -2.810 -6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.373 -3.214 -7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.485 -4.503 -6.962 1.00 0.00 H new ATOM 658 N PRO A 44 12.305 -3.210 -9.046 1.00 0.00 N ATOM 659 CA PRO A 44 13.723 -3.527 -9.056 1.00 0.00 C ATOM 660 C PRO A 44 14.161 -4.006 -7.670 1.00 0.00 C ATOM 661 O PRO A 44 13.615 -3.570 -6.656 1.00 0.00 O ATOM 662 CB PRO A 44 14.421 -2.221 -9.448 1.00 0.00 C ATOM 663 CG PRO A 44 13.480 -1.148 -8.900 1.00 0.00 C ATOM 664 CD PRO A 44 12.096 -1.770 -9.088 1.00 0.00 C ATOM 0 HA PRO A 44 13.971 -4.329 -9.751 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.416 -2.148 -9.008 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.543 -2.137 -10.528 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.685 -0.930 -7.852 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.578 -0.210 -9.446 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.412 -1.450 -8.302 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.655 -1.465 -10.037 1.00 0.00 H new ATOM 672 N GLY A 45 15.151 -4.903 -7.612 1.00 0.00 N ATOM 673 CA GLY A 45 15.731 -5.380 -6.362 1.00 0.00 C ATOM 674 C GLY A 45 14.841 -6.409 -5.663 1.00 0.00 C ATOM 675 O GLY A 45 15.284 -7.511 -5.352 1.00 0.00 O ATOM 0 H GLY A 45 15.573 -5.319 -8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.706 -5.824 -6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.897 -4.534 -5.695 1.00 0.00 H new ATOM 679 N PHE A 46 13.588 -6.040 -5.396 1.00 0.00 N ATOM 680 CA PHE A 46 12.598 -6.844 -4.702 1.00 0.00 C ATOM 681 C PHE A 46 11.277 -6.653 -5.434 1.00 0.00 C ATOM 682 O PHE A 46 10.920 -5.520 -5.733 1.00 0.00 O ATOM 683 CB PHE A 46 12.495 -6.336 -3.260 1.00 0.00 C ATOM 684 CG PHE A 46 11.259 -6.777 -2.500 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.951 -8.142 -2.339 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.338 -5.803 -2.077 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.745 -8.523 -1.718 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.111 -6.195 -1.525 1.00 0.00 C ATOM 689 CZ PHE A 46 8.850 -7.543 -1.264 1.00 0.00 C ATOM 0 H PHE A 46 13.225 -5.128 -5.673 1.00 0.00 H new ATOM 0 HA PHE A 46 12.863 -7.901 -4.683 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.376 -6.670 -2.712 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.522 -5.246 -3.274 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.639 -8.896 -2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.576 -4.754 -2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.510 -9.569 -1.592 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.362 -5.450 -1.300 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.964 -7.828 -0.716 1.00 0.00 H new ATOM 699 N THR A 47 10.562 -7.746 -5.720 1.00 0.00 N ATOM 700 CA THR A 47 9.270 -7.694 -6.389 1.00 0.00 C ATOM 701 C THR A 47 8.326 -8.731 -5.780 1.00 0.00 C ATOM 702 O THR A 47 7.670 -9.512 -6.465 1.00 0.00 O ATOM 703 CB THR A 47 9.458 -7.734 -7.911 1.00 0.00 C ATOM 704 OG1 THR A 47 8.293 -7.326 -8.603 1.00 0.00 O ATOM 705 CG2 THR A 47 9.956 -9.082 -8.426 1.00 0.00 C ATOM 0 H THR A 47 10.869 -8.691 -5.491 1.00 0.00 H new ATOM 0 HA THR A 47 8.766 -6.743 -6.217 1.00 0.00 H new ATOM 0 HB THR A 47 10.246 -7.011 -8.122 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.520 -7.823 -8.263 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.067 -9.039 -9.510 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.920 -9.312 -7.972 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.238 -9.859 -8.165 1.00 0.00 H new ATOM 713 N TYR A 48 8.220 -8.670 -4.451 1.00 0.00 N ATOM 714 CA TYR A 48 7.136 -9.296 -3.711 1.00 0.00 C ATOM 715 C TYR A 48 7.276 -10.819 -3.710 1.00 0.00 C ATOM 716 O TYR A 48 8.375 -11.351 -3.866 1.00 0.00 O ATOM 717 CB TYR A 48 5.778 -8.824 -4.257 1.00 0.00 C ATOM 718 CG TYR A 48 5.708 -7.401 -4.779 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.407 -6.360 -4.136 1.00 0.00 C ATOM 720 CD2 TYR A 48 5.097 -7.162 -6.022 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.607 -5.137 -4.796 1.00 0.00 C ATOM 722 CE2 TYR A 48 5.247 -5.918 -6.647 1.00 0.00 C ATOM 723 CZ TYR A 48 5.989 -4.900 -6.032 1.00 0.00 C ATOM 724 OH TYR A 48 6.235 -3.742 -6.700 1.00 0.00 O ATOM 0 H TYR A 48 8.891 -8.180 -3.859 1.00 0.00 H new ATOM 0 HA TYR A 48 7.192 -8.984 -2.668 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.484 -9.496 -5.063 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.037 -8.932 -3.465 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.789 -6.503 -3.136 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.512 -7.937 -6.495 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.236 -4.380 -4.352 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.788 -5.742 -7.609 1.00 0.00 H new ATOM 0 HH TYR A 48 5.730 -3.735 -7.540 1.00 0.00 H new ATOM 734 N THR A 49 6.158 -11.511 -3.506 1.00 0.00 N ATOM 735 CA THR A 49 6.011 -12.925 -3.809 1.00 0.00 C ATOM 736 C THR A 49 5.477 -13.046 -5.234 1.00 0.00 C ATOM 737 O THR A 49 4.724 -12.178 -5.659 1.00 0.00 O ATOM 738 CB THR A 49 5.012 -13.542 -2.824 1.00 0.00 C ATOM 739 OG1 THR A 49 3.841 -12.747 -2.726 1.00 0.00 O ATOM 740 CG2 THR A 49 5.637 -13.677 -1.438 1.00 0.00 C ATOM 0 H THR A 49 5.313 -11.092 -3.117 1.00 0.00 H new ATOM 0 HA THR A 49 6.965 -13.445 -3.722 1.00 0.00 H new ATOM 0 HB THR A 49 4.746 -14.529 -3.202 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.217 -13.160 -2.093 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.912 -14.117 -0.753 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.517 -14.318 -1.496 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.929 -12.692 -1.073 1.00 0.00 H new ATOM 748 N ASP A 50 5.801 -14.128 -5.951 1.00 0.00 N ATOM 749 CA ASP A 50 5.279 -14.441 -7.287 1.00 0.00 C ATOM 750 C ASP A 50 3.761 -14.293 -7.373 1.00 0.00 C ATOM 751 O ASP A 50 3.251 -13.870 -8.403 1.00 0.00 O ATOM 752 CB ASP A 50 5.759 -15.837 -7.725 1.00 0.00 C ATOM 753 CG ASP A 50 7.053 -15.773 -8.535 1.00 0.00 C ATOM 754 OD1 ASP A 50 8.065 -15.276 -7.991 1.00 0.00 O ATOM 755 OD2 ASP A 50 7.005 -16.150 -9.724 1.00 0.00 O ATOM 0 H ASP A 50 6.454 -14.832 -5.607 1.00 0.00 H new ATOM 0 HA ASP A 50 5.680 -13.708 -7.987 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.914 -16.459 -6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.982 -16.316 -8.321 1.00 0.00 H new ATOM 760 N ALA A 51 3.032 -14.575 -6.298 1.00 0.00 N ATOM 761 CA ALA A 51 1.592 -14.364 -6.257 1.00 0.00 C ATOM 762 C ALA A 51 1.212 -12.909 -6.562 1.00 0.00 C ATOM 763 O ALA A 51 0.214 -12.665 -7.239 1.00 0.00 O ATOM 764 CB ALA A 51 1.073 -14.838 -4.898 1.00 0.00 C ATOM 0 H ALA A 51 3.422 -14.954 -5.435 1.00 0.00 H new ATOM 0 HA ALA A 51 1.114 -14.950 -7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.005 -14.688 -4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.298 -15.897 -4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.556 -14.267 -4.105 1.00 0.00 H new ATOM 770 N ASN A 52 2.015 -11.943 -6.102 1.00 0.00 N ATOM 771 CA ASN A 52 1.805 -10.529 -6.396 1.00 0.00 C ATOM 772 C ASN A 52 2.577 -10.109 -7.651 1.00 0.00 C ATOM 773 O ASN A 52 2.040 -9.395 -8.493 1.00 0.00 O ATOM 774 CB ASN A 52 2.162 -9.695 -5.166 1.00 0.00 C ATOM 775 CG ASN A 52 1.601 -8.275 -5.226 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.518 -7.656 -6.281 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.187 -7.746 -4.082 1.00 0.00 N ATOM 0 H ASN A 52 2.829 -12.125 -5.515 1.00 0.00 H new ATOM 0 HA ASN A 52 0.753 -10.351 -6.619 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.783 -10.193 -4.274 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.247 -9.648 -5.068 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.790 -6.806 -4.069 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.265 -8.279 -3.216 1.00 0.00 H new ATOM 784 N LYS A 53 3.809 -10.602 -7.846 1.00 0.00 N ATOM 785 CA LYS A 53 4.564 -10.362 -9.077 1.00 0.00 C ATOM 786 C LYS A 53 3.678 -10.688 -10.286 1.00 0.00 C ATOM 787 O LYS A 53 3.654 -9.965 -11.276 1.00 0.00 O ATOM 788 CB LYS A 53 5.920 -11.093 -9.088 1.00 0.00 C ATOM 789 CG LYS A 53 6.058 -12.136 -10.211 1.00 0.00 C ATOM 790 CD LYS A 53 7.321 -12.975 -10.059 1.00 0.00 C ATOM 791 CE LYS A 53 8.620 -12.338 -10.526 1.00 0.00 C ATOM 792 NZ LYS A 53 9.714 -13.309 -10.317 1.00 0.00 N ATOM 0 H LYS A 53 4.303 -11.173 -7.160 1.00 0.00 H new ATOM 0 HA LYS A 53 4.828 -9.306 -9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.717 -10.357 -9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.063 -11.587 -8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.186 -12.790 -10.208 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.073 -11.630 -11.176 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.430 -13.240 -9.007 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.180 -13.905 -10.609 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.552 -12.064 -11.579 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.815 -11.421 -9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.613 -12.892 -10.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.777 -13.549 -9.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.522 -14.171 -10.866 1.00 0.00 H new ATOM 806 N ASN A 54 2.932 -11.791 -10.178 1.00 0.00 N ATOM 807 CA ASN A 54 2.135 -12.333 -11.259 1.00 0.00 C ATOM 808 C ASN A 54 0.860 -11.503 -11.501 1.00 0.00 C ATOM 809 O ASN A 54 0.188 -11.690 -12.511 1.00 0.00 O ATOM 810 CB ASN A 54 1.800 -13.802 -10.966 1.00 0.00 C ATOM 811 CG ASN A 54 1.164 -14.530 -12.147 1.00 0.00 C ATOM 812 OD1 ASN A 54 1.452 -14.245 -13.304 1.00 0.00 O ATOM 813 ND2 ASN A 54 0.324 -15.523 -11.866 1.00 0.00 N ATOM 0 H ASN A 54 2.870 -12.335 -9.317 1.00 0.00 H new ATOM 0 HA ASN A 54 2.719 -12.281 -12.178 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.712 -14.324 -10.677 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.122 -13.849 -10.113 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.095 -16.065 -12.621 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.099 -15.742 -10.895 1.00 0.00 H new ATOM 820 N LYS A 55 0.478 -10.615 -10.571 1.00 0.00 N ATOM 821 CA LYS A 55 -0.766 -9.852 -10.688 1.00 0.00 C ATOM 822 C LYS A 55 -0.697 -8.805 -11.800 1.00 0.00 C ATOM 823 O LYS A 55 -1.601 -8.738 -12.628 1.00 0.00 O ATOM 824 CB LYS A 55 -1.152 -9.210 -9.342 1.00 0.00 C ATOM 825 CG LYS A 55 -2.114 -10.101 -8.545 1.00 0.00 C ATOM 826 CD LYS A 55 -3.542 -9.526 -8.604 1.00 0.00 C ATOM 827 CE LYS A 55 -4.635 -10.596 -8.494 1.00 0.00 C ATOM 828 NZ LYS A 55 -4.913 -11.218 -9.806 1.00 0.00 N ATOM 0 H LYS A 55 1.016 -10.410 -9.729 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.550 -10.558 -10.963 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.252 -9.028 -8.754 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.617 -8.241 -9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.104 -11.113 -8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.784 -10.169 -7.508 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.668 -8.804 -7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.669 -8.983 -9.541 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.326 -11.363 -7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.548 -10.147 -8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.656 -11.937 -9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.231 -10.489 -10.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.047 -11.666 -10.168 1.00 0.00 H new ATOM 842 N GLY A 56 0.330 -7.952 -11.783 1.00 0.00 N ATOM 843 CA GLY A 56 0.495 -6.900 -12.784 1.00 0.00 C ATOM 844 C GLY A 56 -0.719 -5.970 -12.891 1.00 0.00 C ATOM 845 O GLY A 56 -1.061 -5.510 -13.979 1.00 0.00 O ATOM 0 H GLY A 56 1.067 -7.972 -11.078 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.377 -6.308 -12.538 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.680 -7.358 -13.756 1.00 0.00 H new ATOM 849 N ILE A 57 -1.360 -5.674 -11.756 1.00 0.00 N ATOM 850 CA ILE A 57 -2.475 -4.736 -11.667 1.00 0.00 C ATOM 851 C ILE A 57 -1.941 -3.311 -11.580 1.00 0.00 C ATOM 852 O ILE A 57 -0.750 -3.106 -11.757 1.00 0.00 O ATOM 853 CB ILE A 57 -3.408 -5.096 -10.500 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.765 -5.186 -9.101 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.129 -6.406 -10.841 1.00 0.00 C ATOM 856 CD1 ILE A 57 -2.759 -3.844 -8.363 1.00 0.00 C ATOM 0 H ILE A 57 -1.111 -6.089 -10.858 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.081 -4.805 -12.570 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.095 -4.255 -10.407 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.305 -5.921 -8.504 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.741 -5.546 -9.199 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.796 -6.678 -10.023 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.709 -6.275 -11.754 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.395 -7.198 -10.988 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.295 -3.969 -7.385 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.195 -3.113 -8.942 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.783 -3.494 -8.236 1.00 0.00 H new ATOM 868 N THR A 58 -2.790 -2.313 -11.327 1.00 0.00 N ATOM 869 CA THR A 58 -2.389 -0.928 -11.172 1.00 0.00 C ATOM 870 C THR A 58 -2.975 -0.406 -9.869 1.00 0.00 C ATOM 871 O THR A 58 -4.193 -0.359 -9.728 1.00 0.00 O ATOM 872 CB THR A 58 -2.865 -0.159 -12.406 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.240 -0.713 -13.548 1.00 0.00 O ATOM 874 CG2 THR A 58 -2.517 1.324 -12.318 1.00 0.00 C ATOM 0 H THR A 58 -3.795 -2.456 -11.223 1.00 0.00 H new ATOM 0 HA THR A 58 -1.308 -0.807 -11.109 1.00 0.00 H new ATOM 0 HB THR A 58 -3.950 -0.245 -12.469 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.536 -0.232 -14.349 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.872 1.835 -13.213 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.994 1.758 -11.439 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.436 1.440 -12.239 1.00 0.00 H new ATOM 882 N TRP A 59 -2.099 -0.042 -8.930 1.00 0.00 N ATOM 883 CA TRP A 59 -2.429 0.422 -7.595 1.00 0.00 C ATOM 884 C TRP A 59 -3.028 1.825 -7.640 1.00 0.00 C ATOM 885 O TRP A 59 -2.417 2.804 -7.220 1.00 0.00 O ATOM 886 CB TRP A 59 -1.187 0.367 -6.709 1.00 0.00 C ATOM 887 CG TRP A 59 -0.697 -0.988 -6.339 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.565 -1.422 -6.506 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.400 -2.052 -5.631 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.673 -2.710 -6.035 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.505 -3.151 -5.470 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.693 -2.193 -5.086 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.880 -4.335 -4.819 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -3.077 -3.372 -4.426 1.00 0.00 C ATOM 895 CH2 TRP A 59 -2.174 -4.438 -4.282 1.00 0.00 C ATOM 0 H TRP A 59 -1.093 -0.067 -9.095 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.185 -0.235 -7.165 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.381 0.894 -7.218 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.398 0.916 -5.791 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.369 -0.848 -6.942 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.522 -3.271 -6.096 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.399 -1.381 -5.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.184 -5.156 -4.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -4.076 -3.460 -4.025 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.474 -5.335 -3.760 1.00 0.00 H new ATOM 906 N LYS A 60 -4.254 1.877 -8.142 1.00 0.00 N ATOM 907 CA LYS A 60 -5.118 3.048 -8.203 1.00 0.00 C ATOM 908 C LYS A 60 -6.228 2.963 -7.143 1.00 0.00 C ATOM 909 O LYS A 60 -6.315 1.999 -6.372 1.00 0.00 O ATOM 910 CB LYS A 60 -5.699 3.134 -9.619 1.00 0.00 C ATOM 911 CG LYS A 60 -6.650 1.961 -9.872 1.00 0.00 C ATOM 912 CD LYS A 60 -6.577 1.363 -11.279 1.00 0.00 C ATOM 913 CE LYS A 60 -7.381 2.167 -12.313 1.00 0.00 C ATOM 914 NZ LYS A 60 -8.068 1.265 -13.257 1.00 0.00 N ATOM 0 H LYS A 60 -4.699 1.051 -8.542 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.547 3.951 -7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.231 4.077 -9.745 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.893 3.123 -10.352 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.435 1.175 -9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.671 2.294 -9.687 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.535 1.315 -11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.950 0.339 -11.253 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.113 2.794 -11.804 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.715 2.834 -12.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.550 1.828 -13.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.371 0.638 -13.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.768 0.693 -12.743 1.00 0.00 H new ATOM 928 N GLU A 61 -7.122 3.955 -7.152 1.00 0.00 N ATOM 929 CA GLU A 61 -8.250 4.067 -6.226 1.00 0.00 C ATOM 930 C GLU A 61 -9.405 3.124 -6.591 1.00 0.00 C ATOM 931 O GLU A 61 -10.530 3.545 -6.848 1.00 0.00 O ATOM 932 CB GLU A 61 -8.698 5.526 -6.033 1.00 0.00 C ATOM 933 CG GLU A 61 -8.806 6.360 -7.319 1.00 0.00 C ATOM 934 CD GLU A 61 -7.456 6.914 -7.740 1.00 0.00 C ATOM 935 OE1 GLU A 61 -7.055 7.944 -7.157 1.00 0.00 O ATOM 936 OE2 GLU A 61 -6.815 6.237 -8.575 1.00 0.00 O ATOM 0 H GLU A 61 -7.079 4.723 -7.822 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.893 3.730 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.669 5.527 -5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.996 6.017 -5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.213 5.743 -8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.505 7.182 -7.163 1.00 0.00 H new ATOM 943 N GLU A 62 -9.111 1.830 -6.524 1.00 0.00 N ATOM 944 CA GLU A 62 -10.070 0.732 -6.496 1.00 0.00 C ATOM 945 C GLU A 62 -9.358 -0.455 -5.848 1.00 0.00 C ATOM 946 O GLU A 62 -9.782 -0.998 -4.827 1.00 0.00 O ATOM 947 CB GLU A 62 -10.602 0.385 -7.907 1.00 0.00 C ATOM 948 CG GLU A 62 -9.618 0.667 -9.057 1.00 0.00 C ATOM 949 CD GLU A 62 -9.809 -0.216 -10.286 1.00 0.00 C ATOM 950 OE1 GLU A 62 -10.034 -1.428 -10.101 1.00 0.00 O ATOM 951 OE2 GLU A 62 -9.633 0.322 -11.404 1.00 0.00 O ATOM 0 H GLU A 62 -8.146 1.502 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.953 1.013 -5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.871 -0.671 -7.929 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.517 0.950 -8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.718 1.710 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.601 0.538 -8.687 1.00 0.00 H new ATOM 958 N THR A 63 -8.210 -0.802 -6.424 1.00 0.00 N ATOM 959 CA THR A 63 -7.429 -1.961 -6.075 1.00 0.00 C ATOM 960 C THR A 63 -6.834 -1.765 -4.688 1.00 0.00 C ATOM 961 O THR A 63 -6.836 -2.690 -3.882 1.00 0.00 O ATOM 962 CB THR A 63 -6.348 -2.140 -7.143 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.602 -0.946 -7.255 1.00 0.00 O ATOM 964 CG2 THR A 63 -6.961 -2.425 -8.517 1.00 0.00 C ATOM 0 H THR A 63 -7.791 -0.254 -7.176 1.00 0.00 H new ATOM 0 HA THR A 63 -8.042 -2.862 -6.043 1.00 0.00 H new ATOM 0 HB THR A 63 -5.722 -2.980 -6.842 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.190 -0.900 -8.143 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.165 -2.547 -9.252 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.553 -3.339 -8.469 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.601 -1.593 -8.810 1.00 0.00 H new ATOM 972 N LEU A 64 -6.341 -0.552 -4.398 1.00 0.00 N ATOM 973 CA LEU A 64 -5.888 -0.238 -3.053 1.00 0.00 C ATOM 974 C LEU A 64 -7.011 -0.468 -2.054 1.00 0.00 C ATOM 975 O LEU A 64 -6.774 -1.020 -0.990 1.00 0.00 O ATOM 976 CB LEU A 64 -5.433 1.221 -2.952 1.00 0.00 C ATOM 977 CG LEU A 64 -3.911 1.388 -3.079 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.579 1.969 -4.447 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.366 2.308 -1.984 1.00 0.00 C ATOM 0 H LEU A 64 -6.250 0.210 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.046 -0.892 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.923 1.803 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.759 1.632 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.445 0.409 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.500 2.088 -4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.937 1.295 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.062 2.940 -4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.287 2.409 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.833 3.289 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.590 1.882 -1.006 1.00 0.00 H new ATOM 991 N MET A 65 -8.221 -0.008 -2.364 1.00 0.00 N ATOM 992 CA MET A 65 -9.314 -0.058 -1.424 1.00 0.00 C ATOM 993 C MET A 65 -9.651 -1.517 -1.106 1.00 0.00 C ATOM 994 O MET A 65 -9.705 -1.897 0.065 1.00 0.00 O ATOM 995 CB MET A 65 -10.477 0.752 -2.005 1.00 0.00 C ATOM 996 CG MET A 65 -11.447 1.172 -0.907 1.00 0.00 C ATOM 997 SD MET A 65 -12.564 2.522 -1.354 1.00 0.00 S ATOM 998 CE MET A 65 -11.425 3.924 -1.342 1.00 0.00 C ATOM 0 H MET A 65 -8.460 0.404 -3.266 1.00 0.00 H new ATOM 0 HA MET A 65 -9.056 0.395 -0.467 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.092 1.636 -2.514 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.002 0.157 -2.752 1.00 0.00 H new ATOM 0 HG2 MET A 65 -12.044 0.307 -0.619 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.873 1.470 -0.030 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.985 4.849 -1.476 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.896 3.955 -0.389 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.705 3.815 -2.153 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.829 -2.339 -2.147 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.131 -3.755 -1.960 1.00 0.00 C ATOM 1010 C GLU A 66 -9.012 -4.452 -1.173 1.00 0.00 C ATOM 1011 O GLU A 66 -9.269 -5.142 -0.189 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.395 -4.428 -3.316 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.181 -5.733 -3.120 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.393 -6.503 -4.418 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -11.360 -5.853 -5.485 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.557 -7.738 -4.315 1.00 0.00 O ATOM 0 H GLU A 66 -9.769 -2.046 -3.122 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.041 -3.848 -1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.955 -3.752 -3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.449 -4.637 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.649 -6.367 -2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.151 -5.503 -2.678 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.758 -4.255 -1.592 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.586 -4.843 -0.954 1.00 0.00 C ATOM 1025 C TYR A 67 -6.538 -4.484 0.523 1.00 0.00 C ATOM 1026 O TYR A 67 -6.525 -5.363 1.375 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.330 -4.351 -1.675 1.00 0.00 C ATOM 1028 CG TYR A 67 -4.001 -4.941 -1.227 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.820 -6.337 -1.168 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.884 -4.100 -1.076 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.551 -6.887 -0.915 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.603 -4.655 -0.915 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.434 -6.044 -0.807 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.185 -6.578 -0.712 1.00 0.00 O ATOM 0 H TYR A 67 -7.530 -3.672 -2.397 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.641 -5.929 -1.024 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.449 -4.554 -2.739 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.276 -3.268 -1.561 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.665 -6.992 -1.319 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.011 -3.027 -1.084 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.436 -7.955 -0.804 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.740 -4.006 -0.874 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.248 -7.505 -0.400 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.507 -3.195 0.842 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.423 -2.746 2.221 1.00 0.00 C ATOM 1046 C LEU A 68 -7.594 -3.254 3.054 1.00 0.00 C ATOM 1047 O LEU A 68 -7.397 -3.588 4.220 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.293 -1.217 2.323 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.852 -0.680 2.286 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.958 -1.430 3.276 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.228 -0.707 0.890 1.00 0.00 C ATOM 0 H LEU A 68 -6.539 -2.440 0.157 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.512 -3.178 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.854 -0.765 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.763 -0.889 3.250 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.920 0.367 2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.946 -1.029 3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.350 -1.306 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.941 -2.490 3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.212 -0.315 0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.204 -1.733 0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.823 -0.093 0.214 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.801 -3.327 2.483 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.909 -3.937 3.204 1.00 0.00 C ATOM 1065 C GLU A 69 -9.585 -5.407 3.522 1.00 0.00 C ATOM 1066 O GLU A 69 -9.775 -5.865 4.649 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.209 -3.807 2.396 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.442 -4.096 3.269 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.456 -4.978 2.553 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -14.299 -4.400 1.835 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -13.367 -6.212 2.744 1.00 0.00 O ATOM 0 H GLU A 69 -9.027 -2.981 1.551 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.054 -3.413 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.282 -2.802 1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.187 -4.499 1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.126 -4.583 4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.915 -3.155 3.550 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.122 -6.155 2.515 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.150 -7.612 2.525 1.00 0.00 C ATOM 1080 C ASN A 70 -7.982 -8.191 1.702 1.00 0.00 C ATOM 1081 O ASN A 70 -8.180 -8.774 0.637 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.532 -8.044 1.998 1.00 0.00 C ATOM 1083 CG ASN A 70 -11.231 -9.006 2.947 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -10.709 -10.074 3.251 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -12.420 -8.648 3.421 1.00 0.00 N ATOM 0 H ASN A 70 -8.716 -5.759 1.667 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.013 -8.005 3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.156 -7.162 1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.416 -8.517 1.023 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.924 -9.268 4.056 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.829 -7.754 3.150 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.733 -8.066 2.173 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.570 -8.186 1.303 1.00 0.00 C ATOM 1094 C PRO A 71 -5.373 -9.611 0.795 1.00 0.00 C ATOM 1095 O PRO A 71 -5.226 -9.840 -0.405 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.383 -7.650 2.111 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.843 -7.753 3.566 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.363 -7.586 3.489 1.00 0.00 C ATOM 0 HA PRO A 71 -5.692 -7.606 0.388 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.483 -8.239 1.935 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.148 -6.621 1.839 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.569 -8.713 4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.388 -6.979 4.184 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.862 -8.158 4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.652 -6.544 3.623 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.423 -10.573 1.718 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.374 -11.997 1.415 1.00 0.00 C ATOM 1108 C LYS A 72 -6.546 -12.463 0.539 1.00 0.00 C ATOM 1109 O LYS A 72 -6.485 -13.562 -0.006 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.305 -12.772 2.740 1.00 0.00 C ATOM 1111 CG LYS A 72 -3.854 -12.831 3.245 1.00 0.00 C ATOM 1112 CD LYS A 72 -3.741 -12.830 4.774 1.00 0.00 C ATOM 1113 CE LYS A 72 -3.908 -11.400 5.307 1.00 0.00 C ATOM 1114 NZ LYS A 72 -3.658 -11.298 6.757 1.00 0.00 N ATOM 0 H LYS A 72 -5.500 -10.376 2.716 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.482 -12.198 0.822 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.938 -12.290 3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.690 -13.782 2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.377 -13.730 2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.304 -11.979 2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.503 -13.480 5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.773 -13.230 5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.223 -10.737 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.918 -11.053 5.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.947 -10.357 7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.206 -12.027 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.645 -11.437 6.945 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.613 -11.664 0.409 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.731 -11.992 -0.463 1.00 0.00 C ATOM 1130 C LYS A 73 -8.444 -11.443 -1.862 1.00 0.00 C ATOM 1131 O LYS A 73 -8.523 -12.180 -2.842 1.00 0.00 O ATOM 1132 CB LYS A 73 -10.027 -11.427 0.129 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.260 -12.201 -0.344 1.00 0.00 C ATOM 1134 CD LYS A 73 -12.519 -11.516 0.201 1.00 0.00 C ATOM 1135 CE LYS A 73 -13.768 -12.357 -0.096 1.00 0.00 C ATOM 1136 NZ LYS A 73 -15.004 -11.668 0.332 1.00 0.00 N ATOM 0 H LYS A 73 -7.718 -10.779 0.905 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.856 -13.072 -0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.973 -11.461 1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.127 -10.379 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.290 -12.232 -1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.213 -13.233 0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.422 -11.368 1.277 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.625 -10.528 -0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.820 -12.568 -1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.691 -13.317 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.827 -12.266 0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.965 -11.489 1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.090 -10.764 -0.174 1.00 0.00 H new ATOM 1150 N TYR A 74 -8.099 -10.152 -1.948 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.762 -9.481 -3.196 1.00 0.00 C ATOM 1152 C TYR A 74 -6.672 -10.246 -3.948 1.00 0.00 C ATOM 1153 O TYR A 74 -6.768 -10.457 -5.158 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.304 -8.051 -2.883 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.935 -7.232 -4.107 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.921 -6.930 -5.062 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.600 -6.854 -4.346 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.577 -6.267 -6.251 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.249 -6.217 -5.548 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.239 -5.928 -6.501 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.895 -5.364 -7.692 1.00 0.00 O ATOM 0 H TYR A 74 -8.047 -9.539 -1.134 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.642 -9.449 -3.838 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.099 -7.537 -2.343 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.443 -8.095 -2.217 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.948 -7.209 -4.880 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.843 -7.054 -3.602 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.342 -6.018 -6.972 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.220 -5.950 -5.739 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.626 -5.484 -8.334 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.622 -10.647 -3.226 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.532 -11.452 -3.755 1.00 0.00 C ATOM 1173 C ILE A 75 -4.416 -12.728 -2.910 1.00 0.00 C ATOM 1174 O ILE A 75 -4.066 -12.637 -1.731 1.00 0.00 O ATOM 1175 CB ILE A 75 -3.235 -10.619 -3.777 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.329 -9.588 -4.912 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -2.014 -11.512 -4.022 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.202 -8.551 -4.894 1.00 0.00 C ATOM 0 H ILE A 75 -5.509 -10.414 -2.239 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.724 -11.752 -4.785 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.120 -10.126 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.315 -10.111 -5.868 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.287 -9.072 -4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.112 -10.900 -4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.940 -12.253 -3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.120 -12.019 -4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.334 -7.856 -5.724 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.228 -8.002 -3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.241 -9.056 -4.993 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.653 -13.922 -3.485 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.544 -15.184 -2.769 1.00 0.00 C ATOM 1192 C PRO A 76 -3.067 -15.570 -2.610 1.00 0.00 C ATOM 1193 O PRO A 76 -2.599 -16.538 -3.205 1.00 0.00 O ATOM 1194 CB PRO A 76 -5.325 -16.186 -3.625 1.00 0.00 C ATOM 1195 CG PRO A 76 -5.090 -15.675 -5.046 1.00 0.00 C ATOM 1196 CD PRO A 76 -5.070 -14.157 -4.861 1.00 0.00 C ATOM 0 HA PRO A 76 -4.947 -15.143 -1.757 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.955 -17.203 -3.495 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.385 -16.197 -3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.151 -16.045 -5.459 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.882 -15.989 -5.725 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.380 -13.688 -5.563 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.055 -13.729 -5.048 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.332 -14.801 -1.804 1.00 0.00 N ATOM 1205 CA GLY A 77 -0.906 -14.989 -1.578 1.00 0.00 C ATOM 1206 C GLY A 77 -0.191 -13.644 -1.643 1.00 0.00 C ATOM 1207 O GLY A 77 0.161 -13.164 -2.713 1.00 0.00 O ATOM 0 H GLY A 77 -2.723 -14.017 -1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.741 -15.452 -0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.496 -15.666 -2.327 1.00 0.00 H new ATOM 1211 N THR A 78 0.011 -13.017 -0.493 1.00 0.00 N ATOM 1212 CA THR A 78 0.721 -11.764 -0.350 1.00 0.00 C ATOM 1213 C THR A 78 1.689 -11.939 0.814 1.00 0.00 C ATOM 1214 O THR A 78 1.354 -12.620 1.782 1.00 0.00 O ATOM 1215 CB THR A 78 -0.304 -10.635 -0.136 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.324 -9.388 0.075 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.277 -10.882 1.022 1.00 0.00 C ATOM 0 H THR A 78 -0.329 -13.384 0.396 1.00 0.00 H new ATOM 0 HA THR A 78 1.295 -11.491 -1.236 1.00 0.00 H new ATOM 0 HB THR A 78 -0.879 -10.621 -1.062 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.770 -9.103 -0.750 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.965 -10.041 1.105 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.842 -11.795 0.834 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.717 -10.986 1.952 1.00 0.00 H new ATOM 1225 N LYS A 79 2.880 -11.338 0.734 1.00 0.00 N ATOM 1226 CA LYS A 79 3.752 -11.241 1.897 1.00 0.00 C ATOM 1227 C LYS A 79 3.178 -10.213 2.884 1.00 0.00 C ATOM 1228 O LYS A 79 3.655 -10.120 4.011 1.00 0.00 O ATOM 1229 CB LYS A 79 5.176 -10.906 1.425 1.00 0.00 C ATOM 1230 CG LYS A 79 6.244 -10.872 2.533 1.00 0.00 C ATOM 1231 CD LYS A 79 7.629 -10.517 1.963 1.00 0.00 C ATOM 1232 CE LYS A 79 8.410 -11.775 1.556 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.691 -11.445 0.896 1.00 0.00 N ATOM 0 H LYS A 79 3.255 -10.917 -0.116 1.00 0.00 H new ATOM 0 HA LYS A 79 3.805 -12.189 2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.475 -11.640 0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.158 -9.935 0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.962 -10.141 3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.289 -11.842 3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.511 -9.865 1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.198 -9.959 2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.604 -12.382 2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.800 -12.378 0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.185 -12.323 0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.506 -10.887 0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.285 -10.892 1.547 1.00 0.00 H new ATOM 1247 N MET A 80 2.172 -9.427 2.482 1.00 0.00 N ATOM 1248 CA MET A 80 1.579 -8.421 3.338 1.00 0.00 C ATOM 1249 C MET A 80 0.749 -9.051 4.449 1.00 0.00 C ATOM 1250 O MET A 80 -0.067 -9.945 4.224 1.00 0.00 O ATOM 1251 CB MET A 80 0.708 -7.509 2.494 1.00 0.00 C ATOM 1252 CG MET A 80 0.152 -6.309 3.253 1.00 0.00 C ATOM 1253 SD MET A 80 0.137 -4.834 2.218 1.00 0.00 S ATOM 1254 CE MET A 80 -1.536 -4.190 2.430 1.00 0.00 C ATOM 0 H MET A 80 1.754 -9.479 1.553 1.00 0.00 H new ATOM 0 HA MET A 80 2.378 -7.849 3.809 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.290 -7.151 1.645 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.123 -8.088 2.090 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.860 -6.528 3.594 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.755 -6.126 4.142 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.655 -3.283 1.837 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.258 -4.937 2.099 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.707 -3.961 3.482 1.00 0.00 H new ATOM 1264 N ILE A 81 0.945 -8.535 5.658 1.00 0.00 N ATOM 1265 CA ILE A 81 0.349 -9.046 6.876 1.00 0.00 C ATOM 1266 C ILE A 81 -0.519 -7.933 7.460 1.00 0.00 C ATOM 1267 O ILE A 81 -0.091 -7.176 8.327 1.00 0.00 O ATOM 1268 CB ILE A 81 1.459 -9.494 7.837 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.510 -10.415 7.188 1.00 0.00 C ATOM 1270 CG2 ILE A 81 0.869 -10.149 9.096 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.954 -11.713 6.590 1.00 0.00 C ATOM 0 H ILE A 81 1.543 -7.724 5.816 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.277 -9.919 6.690 1.00 0.00 H new ATOM 0 HB ILE A 81 1.987 -8.584 8.121 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.021 -9.860 6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.260 -10.670 7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.678 -10.457 9.759 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.229 -9.434 9.612 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.282 -11.022 8.811 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.769 -12.293 6.157 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.470 -12.296 7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.227 -11.474 5.814 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.749 -7.829 6.960 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.755 -6.910 7.466 1.00 0.00 C ATOM 1285 C PHE A 82 -4.101 -7.631 7.368 1.00 0.00 C ATOM 1286 O PHE A 82 -4.169 -8.687 6.729 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.675 -5.605 6.662 1.00 0.00 C ATOM 1288 CG PHE A 82 -3.285 -4.394 7.335 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.727 -3.904 8.532 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.296 -3.664 6.688 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -3.216 -2.717 9.106 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.751 -2.457 7.240 1.00 0.00 C ATOM 1293 CZ PHE A 82 -4.238 -1.996 8.465 1.00 0.00 C ATOM 0 H PHE A 82 -2.076 -8.394 6.177 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.604 -6.628 8.508 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.628 -5.393 6.448 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.172 -5.757 5.704 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.921 -4.441 9.010 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.723 -4.032 5.766 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.806 -2.360 10.039 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.500 -1.878 6.720 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.627 -1.093 8.911 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.140 -7.151 8.050 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.413 -7.852 8.162 1.00 0.00 C ATOM 1305 C ALA A 83 -7.477 -6.853 8.607 1.00 0.00 C ATOM 1306 O ALA A 83 -7.405 -6.348 9.725 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.287 -8.995 9.177 1.00 0.00 C ATOM 0 H ALA A 83 -5.119 -6.258 8.543 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.696 -8.280 7.201 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.241 -9.517 9.258 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.519 -9.693 8.845 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.012 -8.589 10.150 1.00 0.00 H new ATOM 1313 N GLY A 84 -8.438 -6.537 7.734 1.00 0.00 N ATOM 1314 CA GLY A 84 -9.289 -5.380 7.952 1.00 0.00 C ATOM 1315 C GLY A 84 -8.438 -4.116 7.835 1.00 0.00 C ATOM 1316 O GLY A 84 -7.325 -4.170 7.314 1.00 0.00 O ATOM 0 H GLY A 84 -8.639 -7.062 6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.096 -5.361 7.219 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.753 -5.433 8.937 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.946 -2.983 8.325 1.00 0.00 N ATOM 1321 CA ILE A 85 -8.240 -1.719 8.273 1.00 0.00 C ATOM 1322 C ILE A 85 -8.464 -0.996 9.599 1.00 0.00 C ATOM 1323 O ILE A 85 -7.515 -0.751 10.337 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.633 -0.968 6.985 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -7.957 0.406 6.886 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -10.150 -0.824 6.775 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -7.162 0.583 5.594 1.00 0.00 C ATOM 0 H ILE A 85 -9.863 -2.925 8.769 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.159 -1.826 8.189 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.264 -1.605 6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.717 1.185 6.949 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.291 0.540 7.738 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.339 -0.284 5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.605 -1.813 6.719 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.582 -0.273 7.610 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.707 1.573 5.580 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.382 -0.176 5.540 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.830 0.479 4.739 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.726 -0.739 9.954 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.097 -0.285 11.281 1.00 0.00 C ATOM 1341 C LYS A 86 -11.616 -0.358 11.415 1.00 0.00 C ATOM 1342 O LYS A 86 -12.137 -0.964 12.346 1.00 0.00 O ATOM 1343 CB LYS A 86 -9.524 1.118 11.551 1.00 0.00 C ATOM 1344 CG LYS A 86 -10.484 2.073 12.281 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.780 3.327 12.810 1.00 0.00 C ATOM 1346 CE LYS A 86 -8.866 3.014 14.005 1.00 0.00 C ATOM 1347 NZ LYS A 86 -7.554 3.670 13.854 1.00 0.00 N ATOM 0 H LYS A 86 -10.518 -0.843 9.319 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.666 -0.931 12.046 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.614 1.017 12.142 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.238 1.568 10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.283 2.369 11.601 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.952 1.546 13.112 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.190 3.776 12.011 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.526 4.063 13.108 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.340 3.349 14.927 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.730 1.936 14.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.962 3.457 14.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.087 3.318 12.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.687 4.699 13.779 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.319 0.305 10.495 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.767 0.439 10.534 1.00 0.00 C ATOM 1363 C LYS A 87 -14.246 0.907 9.161 1.00 0.00 C ATOM 1364 O LYS A 87 -14.977 0.200 8.478 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.172 1.425 11.647 1.00 0.00 C ATOM 1366 CG LYS A 87 -15.694 1.515 11.810 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.047 2.626 12.811 1.00 0.00 C ATOM 1368 CE LYS A 87 -17.563 2.838 12.942 1.00 0.00 C ATOM 1369 NZ LYS A 87 -18.245 1.701 13.594 1.00 0.00 N ATOM 0 H LYS A 87 -11.889 0.768 9.694 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.237 -0.518 10.762 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.725 1.111 12.590 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.773 2.413 11.418 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.160 1.720 10.846 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.088 0.560 12.158 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.632 2.376 13.788 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.579 3.558 12.495 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.750 3.746 13.516 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.991 2.993 11.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.264 1.897 13.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.092 0.838 13.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.859 1.567 14.550 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.828 2.115 8.772 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.164 2.720 7.488 1.00 0.00 C ATOM 1385 C LYS A 88 -13.287 3.949 7.256 1.00 0.00 C ATOM 1386 O LYS A 88 -12.708 4.097 6.187 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.653 3.106 7.414 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.035 3.422 5.960 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.413 4.087 5.868 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.700 4.472 4.406 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.977 5.199 4.252 1.00 0.00 N ATOM 0 H LYS A 88 -13.236 2.707 9.354 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.977 1.984 6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.269 2.291 7.793 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.846 3.972 8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.284 4.079 5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.035 2.502 5.375 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.182 3.407 6.234 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.444 4.973 6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -16.886 5.091 4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.723 3.570 3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -19.123 5.435 3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -19.760 4.600 4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -18.948 6.074 4.813 1.00 0.00 H new ATOM 1405 N THR A 89 -13.191 4.830 8.254 1.00 0.00 N ATOM 1406 CA THR A 89 -12.411 6.060 8.197 1.00 0.00 C ATOM 1407 C THR A 89 -11.039 5.812 7.580 1.00 0.00 C ATOM 1408 O THR A 89 -10.693 6.429 6.572 1.00 0.00 O ATOM 1409 CB THR A 89 -12.266 6.600 9.623 1.00 0.00 C ATOM 1410 OG1 THR A 89 -12.009 5.518 10.504 1.00 0.00 O ATOM 1411 CG2 THR A 89 -13.563 7.293 10.040 1.00 0.00 C ATOM 0 H THR A 89 -13.668 4.701 9.146 1.00 0.00 H new ATOM 0 HA THR A 89 -12.922 6.788 7.567 1.00 0.00 H new ATOM 0 HB THR A 89 -11.444 7.314 9.663 1.00 0.00 H new ATOM 0 HG1 THR A 89 -11.913 5.857 11.419 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.460 7.677 11.055 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.770 8.118 9.359 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.385 6.578 10.004 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.302 4.889 8.200 1.00 0.00 N ATOM 1420 CA GLU A 90 -8.978 4.428 7.801 1.00 0.00 C ATOM 1421 C GLU A 90 -8.958 3.946 6.347 1.00 0.00 C ATOM 1422 O GLU A 90 -8.013 4.231 5.615 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.498 3.374 8.818 1.00 0.00 C ATOM 1424 CG GLU A 90 -6.971 3.390 8.974 1.00 0.00 C ATOM 1425 CD GLU A 90 -6.460 2.759 10.273 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -6.925 3.188 11.356 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -5.552 1.911 10.189 1.00 0.00 O ATOM 0 H GLU A 90 -10.635 4.419 9.041 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.269 5.256 7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.965 3.562 9.785 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.821 2.384 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.526 2.864 8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.624 4.422 8.925 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.032 3.281 5.904 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.176 2.786 4.538 1.00 0.00 C ATOM 1436 C ARG A 91 -10.224 3.921 3.520 1.00 0.00 C ATOM 1437 O ARG A 91 -10.112 3.660 2.325 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.456 1.940 4.419 1.00 0.00 C ATOM 1439 CG ARG A 91 -11.429 0.964 3.229 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.818 0.846 2.595 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.208 2.121 1.958 1.00 0.00 N ATOM 1442 CZ ARG A 91 -14.379 2.360 1.350 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -15.266 1.356 1.247 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -14.653 3.580 0.859 1.00 0.00 N ATOM 0 H ARG A 91 -10.835 3.071 6.497 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.300 2.175 4.319 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.598 1.375 5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.314 2.604 4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.712 1.310 2.484 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.092 -0.017 3.564 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.819 0.047 1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.549 0.575 3.356 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.530 2.883 1.983 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -15.042 0.436 1.627 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.164 1.513 0.789 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.968 4.331 0.948 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.546 3.755 0.398 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.431 5.161 3.972 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.398 6.322 3.105 1.00 0.00 C ATOM 1460 C GLU A 92 -9.198 7.216 3.456 1.00 0.00 C ATOM 1461 O GLU A 92 -8.608 7.832 2.582 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.770 7.005 3.195 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.074 7.763 1.902 1.00 0.00 C ATOM 1464 CD GLU A 92 -12.308 6.810 0.720 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -13.078 5.823 0.889 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -11.680 7.076 -0.328 1.00 0.00 O ATOM 0 H GLU A 92 -10.625 5.379 4.949 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.238 6.056 2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.543 6.259 3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.786 7.693 4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.956 8.386 2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.245 8.432 1.670 1.00 0.00 H new ATOM 1473 N ASP A 93 -8.819 7.277 4.736 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.688 8.021 5.287 1.00 0.00 C ATOM 1475 C ASP A 93 -6.388 7.577 4.630 1.00 0.00 C ATOM 1476 O ASP A 93 -5.666 8.371 4.031 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.637 7.798 6.813 1.00 0.00 C ATOM 1478 CG ASP A 93 -7.460 9.053 7.630 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -8.117 10.053 7.266 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -6.777 8.948 8.664 1.00 0.00 O ATOM 0 H ASP A 93 -9.330 6.773 5.461 1.00 0.00 H new ATOM 0 HA ASP A 93 -7.815 9.084 5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.558 7.305 7.125 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.818 7.116 7.039 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.098 6.284 4.709 1.00 0.00 N ATOM 1486 CA LEU A 94 -4.928 5.707 4.068 1.00 0.00 C ATOM 1487 C LEU A 94 -4.971 6.008 2.577 1.00 0.00 C ATOM 1488 O LEU A 94 -3.992 6.463 1.986 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.930 4.200 4.340 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.346 3.858 5.720 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -2.849 3.707 5.548 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.539 4.896 6.831 1.00 0.00 C ATOM 0 H LEU A 94 -6.668 5.609 5.219 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.008 6.136 4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.950 3.822 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.353 3.692 3.567 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.884 2.966 6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.395 3.463 6.509 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.643 2.908 4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.429 4.641 5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.081 4.533 7.751 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.069 5.835 6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.604 5.059 6.995 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.149 5.817 1.986 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.351 6.006 0.562 1.00 0.00 C ATOM 1506 C ILE A 95 -6.535 7.501 0.246 1.00 0.00 C ATOM 1507 O ILE A 95 -6.879 7.851 -0.883 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.507 5.095 0.088 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.440 3.686 0.719 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.548 4.949 -1.443 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -6.087 2.987 0.564 1.00 0.00 C ATOM 0 H ILE A 95 -6.988 5.526 2.488 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.472 5.702 -0.006 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.418 5.592 0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.675 3.765 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.211 3.062 0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.377 4.300 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.684 5.930 -1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.612 4.514 -1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.129 2.005 1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.856 2.872 -0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.311 3.586 1.041 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.275 8.404 1.202 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.238 9.837 0.973 1.00 0.00 C ATOM 1525 C ALA A 96 -4.776 10.250 1.018 1.00 0.00 C ATOM 1526 O ALA A 96 -4.279 10.866 0.079 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.086 10.558 2.022 1.00 0.00 C ATOM 0 H ALA A 96 -6.083 8.144 2.169 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.661 10.107 0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.052 11.632 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.117 10.212 1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.694 10.344 3.016 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.059 9.847 2.073 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.632 10.082 2.138 1.00 0.00 C ATOM 1535 C TYR A 97 -1.925 9.502 0.925 1.00 0.00 C ATOM 1536 O TYR A 97 -1.237 10.238 0.232 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.002 9.517 3.410 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.475 9.556 3.403 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.212 10.655 2.847 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.270 8.481 3.915 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.615 10.733 2.914 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.676 8.524 3.908 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.353 9.650 3.414 1.00 0.00 C ATOM 1544 OH TYR A 97 3.716 9.703 3.387 1.00 0.00 O ATOM 0 H TYR A 97 -4.449 9.362 2.881 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.504 11.164 2.151 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.368 10.080 4.268 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.331 8.486 3.542 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.345 11.445 2.365 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.239 7.617 4.316 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.123 11.626 2.581 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.239 7.684 4.286 1.00 0.00 H new ATOM 0 HH TYR A 97 4.077 8.797 3.293 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.039 8.201 0.656 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.202 7.596 -0.381 1.00 0.00 C ATOM 1556 C LEU A 98 -1.464 8.185 -1.765 1.00 0.00 C ATOM 1557 O LEU A 98 -0.590 8.165 -2.635 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.343 6.076 -0.379 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.931 5.486 0.975 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.044 3.965 0.891 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.487 5.878 1.399 1.00 0.00 C ATOM 0 H LEU A 98 -2.681 7.562 1.125 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.168 7.839 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.375 5.803 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.725 5.649 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.600 5.893 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.755 3.525 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.073 3.689 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.385 3.594 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.715 5.428 2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.200 5.523 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.556 6.963 1.479 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.648 8.770 -1.936 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.083 9.403 -3.168 1.00 0.00 C ATOM 1575 C LYS A 99 -2.229 10.644 -3.470 1.00 0.00 C ATOM 1576 O LYS A 99 -2.161 11.079 -4.619 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.584 9.694 -3.028 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.319 9.871 -4.363 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.833 9.977 -4.112 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.507 8.597 -3.965 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.491 8.544 -2.862 1.00 0.00 N ATOM 0 H LYS A 99 -3.348 8.815 -1.196 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.941 8.752 -4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.050 8.879 -2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.713 10.598 -2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.961 10.767 -4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.108 9.027 -5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.008 10.561 -3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.297 10.518 -4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.005 8.342 -4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.740 7.841 -3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.074 7.688 -2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.990 8.521 -1.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.102 9.385 -2.901 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.543 11.183 -2.452 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.568 12.258 -2.567 1.00 0.00 C ATOM 1597 C LYS A 100 0.845 11.783 -2.222 1.00 0.00 C ATOM 1598 O LYS A 100 1.786 12.354 -2.744 1.00 0.00 O ATOM 1599 CB LYS A 100 -0.999 13.524 -1.798 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.664 13.593 -0.296 1.00 0.00 C ATOM 1601 CD LYS A 100 0.770 14.026 0.077 1.00 0.00 C ATOM 1602 CE LYS A 100 1.033 15.540 0.112 1.00 0.00 C ATOM 1603 NZ LYS A 100 1.042 16.165 -1.228 1.00 0.00 N ATOM 0 H LYS A 100 -1.663 10.864 -1.491 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.535 12.556 -3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.541 14.385 -2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.078 13.633 -1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.362 14.285 0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.846 12.610 0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.008 13.614 1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.461 13.574 -0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.269 16.020 0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.992 15.724 0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.558 17.067 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.510 15.529 -1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.064 16.339 -1.536 1.00 0.00 H new ATOM 1617 N ALA A 101 1.030 10.789 -1.343 1.00 0.00 N ATOM 1618 CA ALA A 101 2.347 10.313 -0.910 1.00 0.00 C ATOM 1619 C ALA A 101 3.158 9.855 -2.111 1.00 0.00 C ATOM 1620 O ALA A 101 4.348 10.121 -2.241 1.00 0.00 O ATOM 1621 CB ALA A 101 2.202 9.129 0.050 1.00 0.00 C ATOM 0 H ALA A 101 0.256 10.287 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 101 2.852 11.137 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.190 8.789 0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.633 9.439 0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.680 8.315 -0.453 1.00 0.00 H new ATOM 1627 N THR A 102 2.471 9.161 -3.015 1.00 0.00 N ATOM 1628 CA THR A 102 3.049 8.651 -4.243 1.00 0.00 C ATOM 1629 C THR A 102 3.503 9.769 -5.186 1.00 0.00 C ATOM 1630 O THR A 102 4.065 9.502 -6.246 1.00 0.00 O ATOM 1631 CB THR A 102 1.995 7.767 -4.900 1.00 0.00 C ATOM 1632 OG1 THR A 102 0.781 8.488 -5.029 1.00 0.00 O ATOM 1633 CG2 THR A 102 1.800 6.518 -4.031 1.00 0.00 C ATOM 0 H THR A 102 1.482 8.937 -2.908 1.00 0.00 H new ATOM 0 HA THR A 102 3.950 8.081 -4.016 1.00 0.00 H new ATOM 0 HB THR A 102 2.316 7.465 -5.897 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.232 8.350 -4.229 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.048 5.872 -4.485 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.744 5.978 -3.953 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.469 6.815 -3.036 1.00 0.00 H new ATOM 1641 N ASN A 103 3.196 11.018 -4.834 1.00 0.00 N ATOM 1642 CA ASN A 103 3.528 12.207 -5.586 1.00 0.00 C ATOM 1643 C ASN A 103 3.677 13.391 -4.626 1.00 0.00 C ATOM 1644 O ASN A 103 3.160 14.474 -4.897 1.00 0.00 O ATOM 1645 CB ASN A 103 2.438 12.426 -6.642 1.00 0.00 C ATOM 1646 CG ASN A 103 1.015 12.489 -6.076 1.00 0.00 C ATOM 1647 OD1 ASN A 103 0.434 13.562 -5.947 1.00 0.00 O ATOM 1648 ND2 ASN A 103 0.403 11.340 -5.771 1.00 0.00 N ATOM 0 H ASN A 103 2.686 11.227 -3.976 1.00 0.00 H new ATOM 0 HA ASN A 103 4.481 12.101 -6.104 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.646 13.354 -7.175 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.490 11.620 -7.374 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.557 11.349 -5.427 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.896 10.454 -5.882 1.00 0.00 H new ATOM 1655 N GLU A 104 4.348 13.165 -3.490 1.00 0.00 N ATOM 1656 CA GLU A 104 4.582 14.216 -2.509 1.00 0.00 C ATOM 1657 C GLU A 104 5.788 15.077 -2.890 1.00 0.00 C ATOM 1658 O GLU A 104 6.624 14.594 -3.688 1.00 0.00 O ATOM 1659 CB GLU A 104 4.621 13.687 -1.063 1.00 0.00 C ATOM 1660 CG GLU A 104 5.649 12.595 -0.708 1.00 0.00 C ATOM 1661 CD GLU A 104 6.488 12.976 0.507 1.00 0.00 C ATOM 1662 OE1 GLU A 104 5.867 13.424 1.499 1.00 0.00 O ATOM 1663 OE2 GLU A 104 7.720 12.789 0.433 1.00 0.00 O ATOM 1664 OXT GLU A 104 5.814 16.231 -2.408 1.00 0.00 O ATOM 0 H GLU A 104 4.737 12.258 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 104 3.718 14.880 -2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.799 14.537 -0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.630 13.300 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.129 11.658 -0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.304 12.422 -1.562 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.787 -3.177 2.571 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.630 -4.349 -0.665 1.00 0.00 C HETATM 1674 CHB HEC A 105 -0.078 -0.677 1.245 1.00 0.00 C HETATM 1675 CHC HEC A 105 0.935 -2.299 5.778 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.899 -5.665 3.883 1.00 0.00 C HETATM 1677 NA HEC A 105 1.326 -2.636 0.637 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.797 -3.226 -0.516 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.329 -2.417 -1.617 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.497 -1.444 -1.101 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.558 -1.548 0.343 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.360 -0.498 -1.918 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.755 -2.556 -3.060 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.243 -2.282 -3.311 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.544 -2.155 -4.799 1.00 0.00 C HETATM 1686 O1A HEC A 105 4.017 -1.072 -5.199 1.00 0.00 O HETATM 1687 O2A HEC A 105 3.270 -3.137 -5.524 1.00 0.00 O HETATM 1688 NB HEC A 105 0.653 -1.724 3.379 1.00 0.00 N HETATM 1689 C1B HEC A 105 -0.014 -0.792 2.652 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.657 0.095 3.600 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.418 -0.395 4.876 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.440 -1.542 4.717 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.425 1.340 3.240 1.00 0.00 C HETATM 1694 CAB HEC A 105 -1.011 0.055 6.212 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.541 0.026 6.256 1.00 0.00 C HETATM 1696 NC HEC A 105 2.283 -3.885 4.476 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.808 -3.353 5.623 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.397 -4.058 6.730 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.337 -4.911 6.202 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.181 -4.871 4.765 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.118 -3.788 8.187 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.504 -5.532 6.938 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.154 -6.776 7.752 1.00 0.00 C HETATM 1704 ND HEC A 105 3.018 -4.756 1.751 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.770 -5.602 2.501 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.491 -6.466 1.605 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.082 -6.180 0.322 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.188 -5.038 0.418 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.551 -7.441 2.043 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.529 -6.911 -0.935 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.382 -7.448 -1.804 1.00 0.00 C HETATM 1712 CGD HEC A 105 3.094 -8.947 -1.673 1.00 0.00 C HETATM 1713 O1D HEC A 105 1.938 -9.291 -1.988 1.00 0.00 O HETATM 1714 O2D HEC A 105 3.986 -9.743 -1.304 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.363 -6.901 2.531 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 5.120 -8.157 2.742 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.939 -7.971 1.173 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.393 -2.761 8.426 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.057 -3.936 8.388 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.703 -4.472 8.802 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.768 2.034 2.715 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.264 1.077 2.596 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.799 1.812 4.148 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.277 0.098 -2.571 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -1.062 -1.073 -2.522 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.913 0.162 -1.249 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 2.474 -6.899 -1.554 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.609 -7.230 -2.848 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.407 -6.521 8.504 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.754 -7.544 7.089 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.050 -7.153 8.245 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.940 0.689 5.488 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.891 -0.990 6.075 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.883 0.359 7.236 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.536 -1.365 -2.800 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.839 -3.089 -2.886 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 5.137 -6.235 -1.536 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.170 -7.744 -0.647 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.522 -3.565 -3.399 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 1.164 -1.871 -3.668 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.607 -6.382 4.299 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.613 -2.042 6.787 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.661 0.145 0.830 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.852 -4.700 -1.673 1.00 0.00 H new HETATM 0 H2D HEC A 105 3.901 -10.583 -1.801 1.00 0.00 H new HETATM 0 H2A HEC A 105 4.055 -3.720 -5.596 1.00 0.00 H new