USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 656 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 81 HEC HAC : A 81 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 81 HEC HAB : A 81 HEC CAB : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 81 HEC H2D : A 81 HEC O2D : A 81 HEC CGD :(short bond) USER MOD NoAdj-H: A 81 HEC H2A : A 81 HEC O2A : A 81 HEC CGA :(short bond) USER MOD Single : A 1 ASN : amide:sc= 0.0726 K(o=0.073,f=-3!) USER MOD Single : A 1 ASN N :NH3+ -148:sc= 0.0576 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.01 K(o=-1,f=-4.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -1.24 K(o=-1.2,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= -0.193 (180deg=-0.799) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= -6.16 K(o=-6.2,f=-13!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -16:sc= -1.16 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0552) USER MOD Single : A 32 TYR OH : rot 60:sc= -0.93 USER MOD Single : A 36 LYS NZ :NH3+ 153:sc= -0.111 (180deg=-0.765) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.00399) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -120:sc= -1.21! USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 156:sc=-0.00706 (180deg=-0.202) USER MOD Single : A 62 GLN : amide:sc= -0.393 K(o=-0.39,f=-1.9!) USER MOD Single : A 63 ASN : amide:sc= -1.57 K(o=-1.6,f=-2.3!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00159 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -6.93! C(o=-6.9!,f=-11!) USER MOD Single : A 74 GLN : amide:sc= -0.0125 K(o=-0.012,f=-1.4!) USER MOD Single : A 78 SER OG : rot -32:sc= 0.449 USER MOD Single : A 80 LYS NZ :NH3+ 149:sc= -0.047 (180deg=-0.412) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 64.212 -10.799 5.065 1.00 0.00 N ATOM 2 CA ASN A 1 63.147 -10.992 6.091 1.00 0.00 C ATOM 3 C ASN A 1 62.727 -9.631 6.650 1.00 0.00 C ATOM 4 O ASN A 1 63.119 -8.596 6.148 1.00 0.00 O ATOM 5 CB ASN A 1 63.681 -11.869 7.226 1.00 0.00 C ATOM 6 CG ASN A 1 62.668 -12.974 7.538 1.00 0.00 C ATOM 7 OD1 ASN A 1 61.551 -12.697 7.929 1.00 0.00 O ATOM 8 ND2 ASN A 1 63.013 -14.224 7.382 1.00 0.00 N ATOM 0 H1 ASN A 1 64.130 -11.536 4.336 1.00 0.00 H new ATOM 0 H2 ASN A 1 64.104 -9.863 4.625 1.00 0.00 H new ATOM 0 H3 ASN A 1 65.146 -10.863 5.518 1.00 0.00 H new ATOM 0 HA ASN A 1 62.286 -11.479 5.633 1.00 0.00 H new ATOM 0 HB2 ASN A 1 64.637 -12.308 6.942 1.00 0.00 H new ATOM 0 HB3 ASN A 1 63.860 -11.263 8.114 1.00 0.00 H new ATOM 0 HD21 ASN A 1 62.345 -14.967 7.588 1.00 0.00 H new ATOM 0 HD22 ASN A 1 63.950 -14.457 7.054 1.00 0.00 H new ATOM 17 N GLU A 2 61.931 -9.624 7.684 1.00 0.00 N ATOM 18 CA GLU A 2 61.485 -8.329 8.273 1.00 0.00 C ATOM 19 C GLU A 2 62.299 -8.034 9.535 1.00 0.00 C ATOM 20 O GLU A 2 61.929 -7.207 10.344 1.00 0.00 O ATOM 21 CB GLU A 2 60.001 -8.423 8.634 1.00 0.00 C ATOM 22 CG GLU A 2 59.202 -7.446 7.770 1.00 0.00 C ATOM 23 CD GLU A 2 57.777 -7.327 8.314 1.00 0.00 C ATOM 24 OE1 GLU A 2 57.422 -8.123 9.168 1.00 0.00 O ATOM 25 OE2 GLU A 2 57.065 -6.443 7.869 1.00 0.00 O ATOM 0 H GLU A 2 61.570 -10.458 8.146 1.00 0.00 H new ATOM 0 HA GLU A 2 61.636 -7.528 7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 2 59.642 -9.440 8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 2 59.857 -8.193 9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 2 59.684 -6.468 7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 2 59.180 -7.793 6.737 1.00 0.00 H new ATOM 32 N GLN A 3 63.402 -8.708 9.712 1.00 0.00 N ATOM 33 CA GLN A 3 64.232 -8.473 10.920 1.00 0.00 C ATOM 34 C GLN A 3 65.387 -7.530 10.582 1.00 0.00 C ATOM 35 O GLN A 3 65.699 -6.621 11.325 1.00 0.00 O ATOM 36 CB GLN A 3 64.796 -9.805 11.418 1.00 0.00 C ATOM 37 CG GLN A 3 63.845 -10.406 12.455 1.00 0.00 C ATOM 38 CD GLN A 3 63.821 -9.517 13.700 1.00 0.00 C ATOM 39 OE1 GLN A 3 64.468 -8.490 13.740 1.00 0.00 O ATOM 40 NE2 GLN A 3 63.098 -9.872 14.726 1.00 0.00 N ATOM 0 H GLN A 3 63.763 -9.413 9.069 1.00 0.00 H new ATOM 0 HA GLN A 3 63.614 -8.022 11.696 1.00 0.00 H new ATOM 0 HB2 GLN A 3 64.922 -10.494 10.583 1.00 0.00 H new ATOM 0 HB3 GLN A 3 65.782 -9.653 11.858 1.00 0.00 H new ATOM 0 HG2 GLN A 3 62.842 -10.493 12.037 1.00 0.00 H new ATOM 0 HG3 GLN A 3 64.168 -11.413 12.720 1.00 0.00 H new ATOM 0 HE21 GLN A 3 62.554 -10.734 14.693 1.00 0.00 H new ATOM 0 HE22 GLN A 3 63.076 -9.287 15.561 1.00 0.00 H new ATOM 49 N LEU A 4 66.033 -7.748 9.472 1.00 0.00 N ATOM 50 CA LEU A 4 67.178 -6.876 9.087 1.00 0.00 C ATOM 51 C LEU A 4 66.704 -5.430 8.908 1.00 0.00 C ATOM 52 O LEU A 4 67.501 -4.515 8.833 1.00 0.00 O ATOM 53 CB LEU A 4 67.777 -7.376 7.770 1.00 0.00 C ATOM 54 CG LEU A 4 68.370 -8.772 7.972 1.00 0.00 C ATOM 55 CD1 LEU A 4 67.713 -9.754 7.001 1.00 0.00 C ATOM 56 CD2 LEU A 4 69.876 -8.728 7.705 1.00 0.00 C ATOM 0 H LEU A 4 65.817 -8.495 8.812 1.00 0.00 H new ATOM 0 HA LEU A 4 67.931 -6.911 9.875 1.00 0.00 H new ATOM 0 HB2 LEU A 4 67.009 -7.405 6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 4 68.549 -6.688 7.426 1.00 0.00 H new ATOM 0 HG LEU A 4 68.188 -9.097 8.996 1.00 0.00 H new ATOM 0 HD11 LEU A 4 68.137 -10.748 7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 4 66.639 -9.786 7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 4 67.894 -9.429 5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 4 70.300 -9.722 7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 4 70.054 -8.402 6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 4 70.348 -8.029 8.396 1.00 0.00 H new ATOM 68 N ALA A 5 65.419 -5.213 8.829 1.00 0.00 N ATOM 69 CA ALA A 5 64.913 -3.822 8.644 1.00 0.00 C ATOM 70 C ALA A 5 64.362 -3.283 9.967 1.00 0.00 C ATOM 71 O ALA A 5 64.206 -2.091 10.142 1.00 0.00 O ATOM 72 CB ALA A 5 63.801 -3.821 7.592 1.00 0.00 C ATOM 0 H ALA A 5 64.700 -5.935 8.884 1.00 0.00 H new ATOM 0 HA ALA A 5 65.734 -3.185 8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 5 63.430 -2.805 7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 5 64.194 -4.194 6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 5 62.985 -4.463 7.924 1.00 0.00 H new ATOM 78 N LYS A 6 64.059 -4.146 10.897 1.00 0.00 N ATOM 79 CA LYS A 6 63.513 -3.671 12.199 1.00 0.00 C ATOM 80 C LYS A 6 64.660 -3.392 13.175 1.00 0.00 C ATOM 81 O LYS A 6 64.712 -2.355 13.805 1.00 0.00 O ATOM 82 CB LYS A 6 62.595 -4.746 12.787 1.00 0.00 C ATOM 83 CG LYS A 6 61.229 -4.136 13.108 1.00 0.00 C ATOM 84 CD LYS A 6 60.133 -5.172 12.845 1.00 0.00 C ATOM 85 CE LYS A 6 58.789 -4.633 13.340 1.00 0.00 C ATOM 86 NZ LYS A 6 57.784 -4.716 12.243 1.00 0.00 N ATOM 0 H LYS A 6 64.166 -5.157 10.812 1.00 0.00 H new ATOM 0 HA LYS A 6 62.948 -2.753 12.038 1.00 0.00 H new ATOM 0 HB2 LYS A 6 62.480 -5.567 12.079 1.00 0.00 H new ATOM 0 HB3 LYS A 6 63.039 -5.163 13.691 1.00 0.00 H new ATOM 0 HG2 LYS A 6 61.198 -3.814 14.149 1.00 0.00 H new ATOM 0 HG3 LYS A 6 61.061 -3.250 12.496 1.00 0.00 H new ATOM 0 HD2 LYS A 6 60.077 -5.395 11.779 1.00 0.00 H new ATOM 0 HD3 LYS A 6 60.372 -6.106 13.354 1.00 0.00 H new ATOM 0 HE2 LYS A 6 58.450 -5.208 14.202 1.00 0.00 H new ATOM 0 HE3 LYS A 6 58.899 -3.600 13.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 56.871 -4.350 12.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 58.107 -4.149 11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 57.672 -5.707 11.949 1.00 0.00 H new ATOM 100 N GLN A 7 65.573 -4.313 13.312 1.00 0.00 N ATOM 101 CA GLN A 7 66.710 -4.107 14.254 1.00 0.00 C ATOM 102 C GLN A 7 67.598 -2.963 13.762 1.00 0.00 C ATOM 103 O GLN A 7 68.140 -2.207 14.544 1.00 0.00 O ATOM 104 CB GLN A 7 67.537 -5.389 14.337 1.00 0.00 C ATOM 105 CG GLN A 7 67.084 -6.214 15.542 1.00 0.00 C ATOM 106 CD GLN A 7 67.903 -5.814 16.771 1.00 0.00 C ATOM 107 OE1 GLN A 7 68.217 -6.642 17.602 1.00 0.00 O ATOM 108 NE2 GLN A 7 68.265 -4.569 16.921 1.00 0.00 N ATOM 0 H GLN A 7 65.581 -5.202 12.811 1.00 0.00 H new ATOM 0 HA GLN A 7 66.317 -3.856 15.239 1.00 0.00 H new ATOM 0 HB2 GLN A 7 67.420 -5.969 13.422 1.00 0.00 H new ATOM 0 HB3 GLN A 7 68.596 -5.146 14.427 1.00 0.00 H new ATOM 0 HG2 GLN A 7 66.023 -6.050 15.730 1.00 0.00 H new ATOM 0 HG3 GLN A 7 67.211 -7.277 15.337 1.00 0.00 H new ATOM 0 HE21 GLN A 7 68.001 -3.874 16.223 1.00 0.00 H new ATOM 0 HE22 GLN A 7 68.812 -4.292 17.736 1.00 0.00 H new ATOM 117 N LYS A 8 67.760 -2.835 12.476 1.00 0.00 N ATOM 118 CA LYS A 8 68.624 -1.744 11.940 1.00 0.00 C ATOM 119 C LYS A 8 67.951 -0.389 12.179 1.00 0.00 C ATOM 120 O LYS A 8 68.517 0.494 12.791 1.00 0.00 O ATOM 121 CB LYS A 8 68.843 -1.953 10.441 1.00 0.00 C ATOM 122 CG LYS A 8 70.318 -2.272 10.185 1.00 0.00 C ATOM 123 CD LYS A 8 70.541 -2.501 8.689 1.00 0.00 C ATOM 124 CE LYS A 8 71.884 -3.200 8.477 1.00 0.00 C ATOM 125 NZ LYS A 8 72.947 -2.472 9.227 1.00 0.00 N ATOM 0 H LYS A 8 67.333 -3.437 11.772 1.00 0.00 H new ATOM 0 HA LYS A 8 69.587 -1.762 12.451 1.00 0.00 H new ATOM 0 HB2 LYS A 8 68.215 -2.767 10.080 1.00 0.00 H new ATOM 0 HB3 LYS A 8 68.552 -1.058 9.891 1.00 0.00 H new ATOM 0 HG2 LYS A 8 70.944 -1.451 10.535 1.00 0.00 H new ATOM 0 HG3 LYS A 8 70.612 -3.159 10.747 1.00 0.00 H new ATOM 0 HD2 LYS A 8 69.734 -3.108 8.278 1.00 0.00 H new ATOM 0 HD3 LYS A 8 70.526 -1.549 8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 8 71.826 -4.234 8.818 1.00 0.00 H new ATOM 0 HE3 LYS A 8 72.128 -3.228 7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 73.878 -2.716 8.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 72.793 -1.447 9.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 72.913 -2.744 10.230 1.00 0.00 H new ATOM 139 N GLY A 9 66.748 -0.217 11.705 1.00 0.00 N ATOM 140 CA GLY A 9 66.049 1.084 11.915 1.00 0.00 C ATOM 141 C GLY A 9 65.562 1.639 10.573 1.00 0.00 C ATOM 142 O GLY A 9 65.130 2.772 10.481 1.00 0.00 O ATOM 0 H GLY A 9 66.220 -0.917 11.184 1.00 0.00 H new ATOM 0 HA2 GLY A 9 65.204 0.948 12.590 1.00 0.00 H new ATOM 0 HA3 GLY A 9 66.724 1.797 12.389 1.00 0.00 H new ATOM 146 N CYS A 10 65.624 0.855 9.532 1.00 0.00 N ATOM 147 CA CYS A 10 65.161 1.346 8.204 1.00 0.00 C ATOM 148 C CYS A 10 63.656 1.619 8.260 1.00 0.00 C ATOM 149 O CYS A 10 63.164 2.564 7.676 1.00 0.00 O ATOM 150 CB CYS A 10 65.442 0.286 7.137 1.00 0.00 C ATOM 151 SG CYS A 10 67.168 -0.254 7.254 1.00 0.00 S ATOM 0 H CYS A 10 65.975 -0.103 9.544 1.00 0.00 H new ATOM 0 HA CYS A 10 65.693 2.264 7.953 1.00 0.00 H new ATOM 0 HB2 CYS A 10 64.774 -0.565 7.271 1.00 0.00 H new ATOM 0 HB3 CYS A 10 65.244 0.693 6.145 1.00 0.00 H new ATOM 156 N MET A 11 62.923 0.795 8.957 1.00 0.00 N ATOM 157 CA MET A 11 61.451 1.002 9.052 1.00 0.00 C ATOM 158 C MET A 11 61.161 2.303 9.801 1.00 0.00 C ATOM 159 O MET A 11 60.044 2.780 9.825 1.00 0.00 O ATOM 160 CB MET A 11 60.822 -0.170 9.807 1.00 0.00 C ATOM 161 CG MET A 11 60.899 -1.433 8.947 1.00 0.00 C ATOM 162 SD MET A 11 59.302 -1.713 8.143 1.00 0.00 S ATOM 163 CE MET A 11 59.877 -2.893 6.898 1.00 0.00 C ATOM 0 H MET A 11 63.281 -0.014 9.465 1.00 0.00 H new ATOM 0 HA MET A 11 61.029 1.061 8.049 1.00 0.00 H new ATOM 0 HB2 MET A 11 61.342 -0.329 10.752 1.00 0.00 H new ATOM 0 HB3 MET A 11 59.783 0.055 10.049 1.00 0.00 H new ATOM 0 HG2 MET A 11 61.683 -1.328 8.197 1.00 0.00 H new ATOM 0 HG3 MET A 11 61.163 -2.291 9.565 1.00 0.00 H new ATOM 0 HE1 MET A 11 59.037 -3.205 6.277 1.00 0.00 H new ATOM 0 HE2 MET A 11 60.635 -2.421 6.272 1.00 0.00 H new ATOM 0 HE3 MET A 11 60.306 -3.764 7.393 1.00 0.00 H new ATOM 173 N ALA A 12 62.156 2.884 10.414 1.00 0.00 N ATOM 174 CA ALA A 12 61.931 4.154 11.159 1.00 0.00 C ATOM 175 C ALA A 12 61.223 5.153 10.245 1.00 0.00 C ATOM 176 O ALA A 12 60.318 5.853 10.654 1.00 0.00 O ATOM 177 CB ALA A 12 63.277 4.729 11.606 1.00 0.00 C ATOM 0 H ALA A 12 63.114 2.534 10.431 1.00 0.00 H new ATOM 0 HA ALA A 12 61.314 3.961 12.036 1.00 0.00 H new ATOM 0 HB1 ALA A 12 63.113 5.658 12.151 1.00 0.00 H new ATOM 0 HB2 ALA A 12 63.782 4.012 12.254 1.00 0.00 H new ATOM 0 HB3 ALA A 12 63.897 4.926 10.731 1.00 0.00 H new ATOM 183 N CYS A 13 61.628 5.219 9.010 1.00 0.00 N ATOM 184 CA CYS A 13 60.981 6.165 8.061 1.00 0.00 C ATOM 185 C CYS A 13 60.440 5.385 6.863 1.00 0.00 C ATOM 186 O CYS A 13 60.392 5.886 5.757 1.00 0.00 O ATOM 187 CB CYS A 13 62.012 7.178 7.566 1.00 0.00 C ATOM 188 SG CYS A 13 63.102 7.663 8.927 1.00 0.00 S ATOM 0 H CYS A 13 62.382 4.657 8.615 1.00 0.00 H new ATOM 0 HA CYS A 13 60.168 6.685 8.567 1.00 0.00 H new ATOM 0 HB2 CYS A 13 62.599 6.746 6.755 1.00 0.00 H new ATOM 0 HB3 CYS A 13 61.507 8.056 7.162 1.00 0.00 H new ATOM 193 N HIS A 14 60.044 4.159 7.066 1.00 0.00 N ATOM 194 CA HIS A 14 59.523 3.356 5.927 1.00 0.00 C ATOM 195 C HIS A 14 58.328 2.516 6.380 1.00 0.00 C ATOM 196 O HIS A 14 57.822 2.671 7.474 1.00 0.00 O ATOM 197 CB HIS A 14 60.628 2.428 5.417 1.00 0.00 C ATOM 198 CG HIS A 14 61.428 3.131 4.356 1.00 0.00 C ATOM 199 ND1 HIS A 14 61.071 3.100 3.017 1.00 0.00 N ATOM 200 CD2 HIS A 14 62.576 3.882 4.420 1.00 0.00 C ATOM 201 CE1 HIS A 14 61.988 3.811 2.336 1.00 0.00 C ATOM 202 NE2 HIS A 14 62.927 4.310 3.144 1.00 0.00 N ATOM 0 H HIS A 14 60.059 3.681 7.967 1.00 0.00 H new ATOM 0 HA HIS A 14 59.205 4.029 5.131 1.00 0.00 H new ATOM 0 HB2 HIS A 14 61.278 2.133 6.241 1.00 0.00 H new ATOM 0 HB3 HIS A 14 60.192 1.515 5.012 1.00 0.00 H new ATOM 0 HD1 HIS A 14 60.260 2.625 2.620 1.00 0.00 H new ATOM 0 HD2 HIS A 14 63.123 4.106 5.324 1.00 0.00 H new ATOM 0 HE1 HIS A 14 61.967 3.960 1.267 1.00 0.00 H new ATOM 210 N ASP A 15 57.879 1.625 5.540 1.00 0.00 N ATOM 211 CA ASP A 15 56.719 0.765 5.902 1.00 0.00 C ATOM 212 C ASP A 15 56.170 0.111 4.633 1.00 0.00 C ATOM 213 O ASP A 15 55.910 0.774 3.649 1.00 0.00 O ATOM 214 CB ASP A 15 55.629 1.623 6.549 1.00 0.00 C ATOM 215 CG ASP A 15 55.403 1.162 7.990 1.00 0.00 C ATOM 216 OD1 ASP A 15 55.489 -0.031 8.230 1.00 0.00 O ATOM 217 OD2 ASP A 15 55.149 2.009 8.829 1.00 0.00 O ATOM 0 H ASP A 15 58.269 1.455 4.613 1.00 0.00 H new ATOM 0 HA ASP A 15 57.035 -0.005 6.606 1.00 0.00 H new ATOM 0 HB2 ASP A 15 55.921 2.673 6.534 1.00 0.00 H new ATOM 0 HB3 ASP A 15 54.702 1.542 5.981 1.00 0.00 H new ATOM 222 N LEU A 16 55.997 -1.183 4.646 1.00 0.00 N ATOM 223 CA LEU A 16 55.470 -1.878 3.435 1.00 0.00 C ATOM 224 C LEU A 16 54.327 -1.063 2.833 1.00 0.00 C ATOM 225 O LEU A 16 54.431 -0.541 1.742 1.00 0.00 O ATOM 226 CB LEU A 16 54.948 -3.259 3.825 1.00 0.00 C ATOM 227 CG LEU A 16 56.094 -4.106 4.385 1.00 0.00 C ATOM 228 CD1 LEU A 16 55.655 -5.569 4.471 1.00 0.00 C ATOM 229 CD2 LEU A 16 57.310 -3.995 3.462 1.00 0.00 C ATOM 0 H LEU A 16 56.197 -1.789 5.442 1.00 0.00 H new ATOM 0 HA LEU A 16 56.271 -1.981 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 16 54.157 -3.162 4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 16 54.510 -3.751 2.957 1.00 0.00 H new ATOM 0 HG LEU A 16 56.357 -3.746 5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 16 56.471 -6.171 4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 16 54.789 -5.651 5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 16 55.391 -5.929 3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 16 58.126 -4.598 3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 16 57.046 -4.354 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 16 57.626 -2.954 3.400 1.00 0.00 H new ATOM 241 N LYS A 17 53.236 -0.953 3.537 1.00 0.00 N ATOM 242 CA LYS A 17 52.088 -0.172 3.005 1.00 0.00 C ATOM 243 C LYS A 17 51.677 0.888 4.027 1.00 0.00 C ATOM 244 O LYS A 17 50.508 1.118 4.262 1.00 0.00 O ATOM 245 CB LYS A 17 50.909 -1.108 2.733 1.00 0.00 C ATOM 246 CG LYS A 17 50.535 -1.036 1.251 1.00 0.00 C ATOM 247 CD LYS A 17 49.019 -0.881 1.109 1.00 0.00 C ATOM 248 CE LYS A 17 48.565 -1.504 -0.211 1.00 0.00 C ATOM 249 NZ LYS A 17 47.261 -0.910 -0.621 1.00 0.00 N ATOM 0 H LYS A 17 53.090 -1.370 4.456 1.00 0.00 H new ATOM 0 HA LYS A 17 52.381 0.314 2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 17 51.172 -2.131 3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 17 50.056 -0.825 3.349 1.00 0.00 H new ATOM 0 HG2 LYS A 17 51.042 -0.195 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 17 50.868 -1.938 0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 17 48.513 -1.365 1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 17 48.746 0.174 1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 17 49.314 -1.331 -0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 17 48.466 -2.584 -0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 46.953 -1.335 -1.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 46.548 -1.097 0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 47.370 0.117 -0.743 1.00 0.00 H new ATOM 263 N ALA A 18 52.633 1.535 4.634 1.00 0.00 N ATOM 264 CA ALA A 18 52.306 2.582 5.642 1.00 0.00 C ATOM 265 C ALA A 18 53.240 3.776 5.447 1.00 0.00 C ATOM 266 O ALA A 18 54.156 3.994 6.216 1.00 0.00 O ATOM 267 CB ALA A 18 52.493 2.013 7.047 1.00 0.00 C ATOM 0 H ALA A 18 53.629 1.383 4.475 1.00 0.00 H new ATOM 0 HA ALA A 18 51.271 2.901 5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 18 52.254 2.779 7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 18 51.831 1.158 7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 18 53.528 1.695 7.176 1.00 0.00 H new ATOM 273 N LYS A 19 53.021 4.543 4.418 1.00 0.00 N ATOM 274 CA LYS A 19 53.898 5.718 4.161 1.00 0.00 C ATOM 275 C LYS A 19 53.896 6.648 5.376 1.00 0.00 C ATOM 276 O LYS A 19 52.908 6.781 6.070 1.00 0.00 O ATOM 277 CB LYS A 19 53.387 6.478 2.936 1.00 0.00 C ATOM 278 CG LYS A 19 53.864 5.772 1.666 1.00 0.00 C ATOM 279 CD LYS A 19 53.427 6.575 0.440 1.00 0.00 C ATOM 280 CE LYS A 19 52.811 5.633 -0.595 1.00 0.00 C ATOM 281 NZ LYS A 19 51.488 6.163 -1.026 1.00 0.00 N ATOM 0 H LYS A 19 52.270 4.407 3.741 1.00 0.00 H new ATOM 0 HA LYS A 19 54.915 5.371 3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 19 52.298 6.526 2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 19 53.751 7.505 2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 19 54.949 5.671 1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 19 53.450 4.765 1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 19 52.703 7.337 0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 19 54.282 7.096 0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 19 53.474 5.538 -1.455 1.00 0.00 H new ATOM 0 HE3 LYS A 19 52.694 4.636 -0.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 51.070 5.522 -1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 50.857 6.232 -0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 51.612 7.106 -1.447 1.00 0.00 H new ATOM 295 N LYS A 20 55.000 7.294 5.631 1.00 0.00 N ATOM 296 CA LYS A 20 55.080 8.221 6.795 1.00 0.00 C ATOM 297 C LYS A 20 56.252 9.184 6.582 1.00 0.00 C ATOM 298 O LYS A 20 56.129 10.174 5.889 1.00 0.00 O ATOM 299 CB LYS A 20 55.287 7.426 8.091 1.00 0.00 C ATOM 300 CG LYS A 20 55.950 6.079 7.786 1.00 0.00 C ATOM 301 CD LYS A 20 55.809 5.157 8.999 1.00 0.00 C ATOM 302 CE LYS A 20 56.897 5.488 10.022 1.00 0.00 C ATOM 303 NZ LYS A 20 56.772 4.574 11.192 1.00 0.00 N ATOM 0 H LYS A 20 55.855 7.219 5.080 1.00 0.00 H new ATOM 0 HA LYS A 20 54.150 8.783 6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 20 55.908 7.997 8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 20 54.328 7.264 8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 20 55.485 5.622 6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 20 57.003 6.225 7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 20 54.823 5.278 9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 20 55.892 4.115 8.689 1.00 0.00 H new ATOM 0 HE2 LYS A 20 57.882 5.383 9.568 1.00 0.00 H new ATOM 0 HE3 LYS A 20 56.804 6.525 10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 57.511 4.798 11.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 55.836 4.696 11.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 56.881 3.589 10.876 1.00 0.00 H new ATOM 317 N VAL A 21 57.390 8.900 7.155 1.00 0.00 N ATOM 318 CA VAL A 21 58.560 9.804 6.959 1.00 0.00 C ATOM 319 C VAL A 21 59.110 9.594 5.548 1.00 0.00 C ATOM 320 O VAL A 21 59.292 10.528 4.792 1.00 0.00 O ATOM 321 CB VAL A 21 59.647 9.473 7.983 1.00 0.00 C ATOM 322 CG1 VAL A 21 60.918 10.256 7.649 1.00 0.00 C ATOM 323 CG2 VAL A 21 59.167 9.861 9.381 1.00 0.00 C ATOM 0 H VAL A 21 57.560 8.087 7.747 1.00 0.00 H new ATOM 0 HA VAL A 21 58.251 10.841 7.091 1.00 0.00 H new ATOM 0 HB VAL A 21 59.858 8.404 7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 21 61.693 10.020 8.379 1.00 0.00 H new ATOM 0 HG12 VAL A 21 61.263 9.982 6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 21 60.705 11.325 7.678 1.00 0.00 H new ATOM 0 HG21 VAL A 21 59.942 9.625 10.110 1.00 0.00 H new ATOM 0 HG22 VAL A 21 58.955 10.930 9.409 1.00 0.00 H new ATOM 0 HG23 VAL A 21 58.261 9.305 9.622 1.00 0.00 H new ATOM 333 N GLY A 22 59.368 8.366 5.186 1.00 0.00 N ATOM 334 CA GLY A 22 59.898 8.083 3.824 1.00 0.00 C ATOM 335 C GLY A 22 58.826 7.348 3.013 1.00 0.00 C ATOM 336 O GLY A 22 57.682 7.290 3.414 1.00 0.00 O ATOM 0 H GLY A 22 59.234 7.546 5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 22 60.174 9.013 3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 22 60.801 7.477 3.890 1.00 0.00 H new ATOM 340 N PRO A 23 59.234 6.806 1.896 1.00 0.00 N ATOM 341 CA PRO A 23 58.333 6.062 0.999 1.00 0.00 C ATOM 342 C PRO A 23 58.097 4.646 1.535 1.00 0.00 C ATOM 343 O PRO A 23 58.856 4.144 2.339 1.00 0.00 O ATOM 344 CB PRO A 23 59.101 6.021 -0.325 1.00 0.00 C ATOM 345 CG PRO A 23 60.594 6.224 0.030 1.00 0.00 C ATOM 346 CD PRO A 23 60.631 6.885 1.421 1.00 0.00 C ATOM 0 HA PRO A 23 57.348 6.520 0.902 1.00 0.00 H new ATOM 0 HB2 PRO A 23 58.949 5.069 -0.833 1.00 0.00 H new ATOM 0 HB3 PRO A 23 58.753 6.802 -1.001 1.00 0.00 H new ATOM 0 HG2 PRO A 23 61.123 5.271 0.040 1.00 0.00 H new ATOM 0 HG3 PRO A 23 61.086 6.854 -0.711 1.00 0.00 H new ATOM 0 HD2 PRO A 23 61.311 6.361 2.093 1.00 0.00 H new ATOM 0 HD3 PRO A 23 60.974 7.918 1.362 1.00 0.00 H new ATOM 354 N ALA A 24 57.052 4.000 1.094 1.00 0.00 N ATOM 355 CA ALA A 24 56.775 2.617 1.580 1.00 0.00 C ATOM 356 C ALA A 24 57.602 1.620 0.766 1.00 0.00 C ATOM 357 O ALA A 24 57.696 1.716 -0.440 1.00 0.00 O ATOM 358 CB ALA A 24 55.286 2.301 1.415 1.00 0.00 C ATOM 0 H ALA A 24 56.380 4.368 0.421 1.00 0.00 H new ATOM 0 HA ALA A 24 57.044 2.542 2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 24 55.087 1.290 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 24 54.697 3.012 1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 24 55.013 2.375 0.362 1.00 0.00 H new ATOM 364 N TYR A 25 58.200 0.661 1.419 1.00 0.00 N ATOM 365 CA TYR A 25 59.021 -0.342 0.689 1.00 0.00 C ATOM 366 C TYR A 25 58.227 -0.886 -0.502 1.00 0.00 C ATOM 367 O TYR A 25 58.768 -1.118 -1.565 1.00 0.00 O ATOM 368 CB TYR A 25 59.366 -1.489 1.640 1.00 0.00 C ATOM 369 CG TYR A 25 60.636 -1.171 2.400 1.00 0.00 C ATOM 370 CD1 TYR A 25 61.116 0.146 2.457 1.00 0.00 C ATOM 371 CD2 TYR A 25 61.332 -2.195 3.054 1.00 0.00 C ATOM 372 CE1 TYR A 25 62.288 0.434 3.166 1.00 0.00 C ATOM 373 CE2 TYR A 25 62.503 -1.906 3.762 1.00 0.00 C ATOM 374 CZ TYR A 25 62.982 -0.591 3.819 1.00 0.00 C ATOM 375 OH TYR A 25 64.136 -0.307 4.519 1.00 0.00 O ATOM 0 H TYR A 25 58.154 0.530 2.430 1.00 0.00 H new ATOM 0 HA TYR A 25 59.937 0.125 0.326 1.00 0.00 H new ATOM 0 HB2 TYR A 25 58.546 -1.651 2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 25 59.492 -2.413 1.076 1.00 0.00 H new ATOM 0 HD1 TYR A 25 60.581 0.938 1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 25 60.964 -3.209 3.012 1.00 0.00 H new ATOM 0 HE1 TYR A 25 62.657 1.448 3.209 1.00 0.00 H new ATOM 0 HE2 TYR A 25 63.038 -2.697 4.265 1.00 0.00 H new ATOM 0 HH TYR A 25 64.469 0.576 4.256 1.00 0.00 H new ATOM 385 N ALA A 26 56.950 -1.093 -0.333 1.00 0.00 N ATOM 386 CA ALA A 26 56.126 -1.623 -1.456 1.00 0.00 C ATOM 387 C ALA A 26 56.131 -0.620 -2.613 1.00 0.00 C ATOM 388 O ALA A 26 56.263 -0.987 -3.763 1.00 0.00 O ATOM 389 CB ALA A 26 54.689 -1.841 -0.978 1.00 0.00 C ATOM 0 H ALA A 26 56.442 -0.918 0.534 1.00 0.00 H new ATOM 0 HA ALA A 26 56.544 -2.571 -1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.087 -2.229 -1.800 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.684 -2.556 -0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.271 -0.894 -0.638 1.00 0.00 H new ATOM 395 N ASP A 27 55.989 0.642 -2.316 1.00 0.00 N ATOM 396 CA ASP A 27 55.984 1.667 -3.397 1.00 0.00 C ATOM 397 C ASP A 27 57.350 1.693 -4.085 1.00 0.00 C ATOM 398 O ASP A 27 57.451 1.926 -5.274 1.00 0.00 O ATOM 399 CB ASP A 27 55.693 3.042 -2.793 1.00 0.00 C ATOM 400 CG ASP A 27 54.183 3.291 -2.794 1.00 0.00 C ATOM 401 OD1 ASP A 27 53.480 2.555 -2.122 1.00 0.00 O ATOM 402 OD2 ASP A 27 53.756 4.214 -3.467 1.00 0.00 O ATOM 0 H ASP A 27 55.876 1.008 -1.371 1.00 0.00 H new ATOM 0 HA ASP A 27 55.214 1.419 -4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 27 56.080 3.093 -1.775 1.00 0.00 H new ATOM 0 HB3 ASP A 27 56.201 3.818 -3.366 1.00 0.00 H new ATOM 407 N VAL A 28 58.401 1.458 -3.350 1.00 0.00 N ATOM 408 CA VAL A 28 59.756 1.471 -3.963 1.00 0.00 C ATOM 409 C VAL A 28 59.832 0.387 -5.039 1.00 0.00 C ATOM 410 O VAL A 28 60.200 0.646 -6.168 1.00 0.00 O ATOM 411 CB VAL A 28 60.807 1.199 -2.884 1.00 0.00 C ATOM 412 CG1 VAL A 28 62.149 0.877 -3.543 1.00 0.00 C ATOM 413 CG2 VAL A 28 60.960 2.440 -2.001 1.00 0.00 C ATOM 0 H VAL A 28 58.379 1.257 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 28 59.946 2.445 -4.413 1.00 0.00 H new ATOM 0 HB VAL A 28 60.490 0.352 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 28 62.896 0.684 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 28 62.042 -0.005 -4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.467 1.723 -4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 28 61.708 2.249 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 28 61.276 3.285 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 28 60.005 2.671 -1.529 1.00 0.00 H new ATOM 423 N ALA A 29 59.484 -0.822 -4.700 1.00 0.00 N ATOM 424 CA ALA A 29 59.534 -1.918 -5.706 1.00 0.00 C ATOM 425 C ALA A 29 58.726 -1.507 -6.939 1.00 0.00 C ATOM 426 O ALA A 29 59.135 -1.719 -8.063 1.00 0.00 O ATOM 427 CB ALA A 29 58.935 -3.191 -5.105 1.00 0.00 C ATOM 0 H ALA A 29 59.167 -1.099 -3.771 1.00 0.00 H new ATOM 0 HA ALA A 29 60.569 -2.106 -5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 29 58.972 -3.993 -5.842 1.00 0.00 H new ATOM 0 HB2 ALA A 29 59.507 -3.481 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 29 57.899 -3.007 -4.821 1.00 0.00 H new ATOM 433 N LYS A 30 57.580 -0.916 -6.735 1.00 0.00 N ATOM 434 CA LYS A 30 56.744 -0.487 -7.890 1.00 0.00 C ATOM 435 C LYS A 30 57.570 0.409 -8.817 1.00 0.00 C ATOM 436 O LYS A 30 57.572 0.239 -10.021 1.00 0.00 O ATOM 437 CB LYS A 30 55.530 0.293 -7.376 1.00 0.00 C ATOM 438 CG LYS A 30 54.336 -0.653 -7.236 1.00 0.00 C ATOM 439 CD LYS A 30 53.035 0.135 -7.407 1.00 0.00 C ATOM 440 CE LYS A 30 51.872 -0.838 -7.606 1.00 0.00 C ATOM 441 NZ LYS A 30 50.822 -0.195 -8.446 1.00 0.00 N ATOM 0 H LYS A 30 57.187 -0.712 -5.816 1.00 0.00 H new ATOM 0 HA LYS A 30 56.408 -1.365 -8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 30 55.760 0.751 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 30 55.287 1.103 -8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 30 54.395 -1.443 -7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 30 54.355 -1.137 -6.259 1.00 0.00 H new ATOM 0 HD2 LYS A 30 52.856 0.757 -6.530 1.00 0.00 H new ATOM 0 HD3 LYS A 30 53.113 0.805 -8.263 1.00 0.00 H new ATOM 0 HE2 LYS A 30 52.226 -1.751 -8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 30 51.455 -1.125 -6.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 50.032 -0.857 -8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 50.477 0.664 -7.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 51.224 0.057 -9.371 1.00 0.00 H new ATOM 455 N LYS A 31 58.271 1.364 -8.268 1.00 0.00 N ATOM 456 CA LYS A 31 59.091 2.270 -9.116 1.00 0.00 C ATOM 457 C LYS A 31 60.231 1.483 -9.769 1.00 0.00 C ATOM 458 O LYS A 31 60.752 1.867 -10.797 1.00 0.00 O ATOM 459 CB LYS A 31 59.676 3.388 -8.250 1.00 0.00 C ATOM 460 CG LYS A 31 58.655 3.800 -7.187 1.00 0.00 C ATOM 461 CD LYS A 31 58.628 5.324 -7.066 1.00 0.00 C ATOM 462 CE LYS A 31 57.623 5.900 -8.066 1.00 0.00 C ATOM 463 NZ LYS A 31 58.355 6.606 -9.155 1.00 0.00 N ATOM 0 H LYS A 31 58.310 1.555 -7.267 1.00 0.00 H new ATOM 0 HA LYS A 31 58.460 2.700 -9.894 1.00 0.00 H new ATOM 0 HB2 LYS A 31 60.596 3.049 -7.773 1.00 0.00 H new ATOM 0 HB3 LYS A 31 59.936 4.245 -8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 31 57.666 3.429 -7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 31 58.914 3.353 -6.227 1.00 0.00 H new ATOM 0 HD2 LYS A 31 58.354 5.614 -6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 31 59.621 5.732 -7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 31 57.011 5.101 -8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 31 56.946 6.590 -7.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 57.677 7.125 -9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 59.035 7.275 -8.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 58.865 5.911 -9.738 1.00 0.00 H new ATOM 477 N TYR A 32 60.625 0.386 -9.180 1.00 0.00 N ATOM 478 CA TYR A 32 61.734 -0.419 -9.770 1.00 0.00 C ATOM 479 C TYR A 32 61.266 -1.863 -9.967 1.00 0.00 C ATOM 480 O TYR A 32 60.116 -2.112 -10.271 1.00 0.00 O ATOM 481 CB TYR A 32 62.938 -0.395 -8.826 1.00 0.00 C ATOM 482 CG TYR A 32 63.303 1.033 -8.503 1.00 0.00 C ATOM 483 CD1 TYR A 32 63.525 1.954 -9.535 1.00 0.00 C ATOM 484 CD2 TYR A 32 63.422 1.437 -7.168 1.00 0.00 C ATOM 485 CE1 TYR A 32 63.866 3.277 -9.232 1.00 0.00 C ATOM 486 CE2 TYR A 32 63.762 2.761 -6.865 1.00 0.00 C ATOM 487 CZ TYR A 32 63.985 3.680 -7.896 1.00 0.00 C ATOM 488 OH TYR A 32 64.321 4.984 -7.596 1.00 0.00 O ATOM 0 H TYR A 32 60.228 0.013 -8.318 1.00 0.00 H new ATOM 0 HA TYR A 32 62.020 0.004 -10.733 1.00 0.00 H new ATOM 0 HB2 TYR A 32 62.705 -0.937 -7.910 1.00 0.00 H new ATOM 0 HB3 TYR A 32 63.785 -0.901 -9.289 1.00 0.00 H new ATOM 0 HD1 TYR A 32 63.433 1.643 -10.565 1.00 0.00 H new ATOM 0 HD2 TYR A 32 63.252 0.727 -6.372 1.00 0.00 H new ATOM 0 HE1 TYR A 32 64.037 3.987 -10.028 1.00 0.00 H new ATOM 0 HE2 TYR A 32 63.852 3.073 -5.835 1.00 0.00 H new ATOM 0 HH TYR A 32 63.646 5.589 -7.967 1.00 0.00 H new ATOM 498 N ALA A 33 62.151 -2.816 -9.800 1.00 0.00 N ATOM 499 CA ALA A 33 61.767 -4.246 -9.974 1.00 0.00 C ATOM 500 C ALA A 33 61.789 -4.602 -11.456 1.00 0.00 C ATOM 501 O ALA A 33 60.960 -4.159 -12.227 1.00 0.00 O ATOM 502 CB ALA A 33 60.368 -4.486 -9.415 1.00 0.00 C ATOM 0 H ALA A 33 63.127 -2.660 -9.549 1.00 0.00 H new ATOM 0 HA ALA A 33 62.478 -4.872 -9.435 1.00 0.00 H new ATOM 0 HB1 ALA A 33 60.098 -5.534 -9.548 1.00 0.00 H new ATOM 0 HB2 ALA A 33 60.353 -4.239 -8.353 1.00 0.00 H new ATOM 0 HB3 ALA A 33 59.652 -3.857 -9.944 1.00 0.00 H new ATOM 508 N GLY A 34 62.734 -5.398 -11.858 1.00 0.00 N ATOM 509 CA GLY A 34 62.819 -5.786 -13.291 1.00 0.00 C ATOM 510 C GLY A 34 63.361 -4.605 -14.091 1.00 0.00 C ATOM 511 O GLY A 34 63.284 -4.576 -15.304 1.00 0.00 O ATOM 0 H GLY A 34 63.454 -5.798 -11.256 1.00 0.00 H new ATOM 0 HA2 GLY A 34 63.470 -6.652 -13.409 1.00 0.00 H new ATOM 0 HA3 GLY A 34 61.836 -6.074 -13.663 1.00 0.00 H new ATOM 515 N ARG A 35 63.906 -3.627 -13.421 1.00 0.00 N ATOM 516 CA ARG A 35 64.452 -2.439 -14.144 1.00 0.00 C ATOM 517 C ARG A 35 65.871 -2.724 -14.654 1.00 0.00 C ATOM 518 O ARG A 35 66.721 -1.856 -14.664 1.00 0.00 O ATOM 519 CB ARG A 35 64.483 -1.238 -13.196 1.00 0.00 C ATOM 520 CG ARG A 35 63.442 -0.209 -13.640 1.00 0.00 C ATOM 521 CD ARG A 35 64.153 1.009 -14.231 1.00 0.00 C ATOM 522 NE ARG A 35 64.932 0.591 -15.431 1.00 0.00 N ATOM 523 CZ ARG A 35 65.774 1.417 -15.989 1.00 0.00 C ATOM 524 NH1 ARG A 35 65.940 2.617 -15.501 1.00 0.00 N ATOM 525 NH2 ARG A 35 66.455 1.040 -17.037 1.00 0.00 N ATOM 0 H ARG A 35 63.998 -3.597 -12.406 1.00 0.00 H new ATOM 0 HA ARG A 35 63.810 -2.222 -14.998 1.00 0.00 H new ATOM 0 HB2 ARG A 35 64.278 -1.562 -12.176 1.00 0.00 H new ATOM 0 HB3 ARG A 35 65.476 -0.789 -13.194 1.00 0.00 H new ATOM 0 HG2 ARG A 35 62.773 -0.648 -14.380 1.00 0.00 H new ATOM 0 HG3 ARG A 35 62.826 0.091 -12.792 1.00 0.00 H new ATOM 0 HD2 ARG A 35 63.425 1.773 -14.504 1.00 0.00 H new ATOM 0 HD3 ARG A 35 64.817 1.453 -13.489 1.00 0.00 H new ATOM 0 HE ARG A 35 64.806 -0.345 -15.818 1.00 0.00 H new ATOM 0 HH11 ARG A 35 65.410 2.912 -14.681 1.00 0.00 H new ATOM 0 HH12 ARG A 35 66.599 3.260 -15.940 1.00 0.00 H new ATOM 0 HH21 ARG A 35 66.328 0.102 -17.417 1.00 0.00 H new ATOM 0 HH22 ARG A 35 67.114 1.683 -17.476 1.00 0.00 H new ATOM 539 N LYS A 36 66.126 -3.928 -15.088 1.00 0.00 N ATOM 540 CA LYS A 36 67.480 -4.279 -15.619 1.00 0.00 C ATOM 541 C LYS A 36 68.527 -4.308 -14.496 1.00 0.00 C ATOM 542 O LYS A 36 69.667 -4.661 -14.725 1.00 0.00 O ATOM 543 CB LYS A 36 67.900 -3.248 -16.668 1.00 0.00 C ATOM 544 CG LYS A 36 66.793 -3.098 -17.712 1.00 0.00 C ATOM 545 CD LYS A 36 67.406 -3.152 -19.112 1.00 0.00 C ATOM 546 CE LYS A 36 67.805 -4.592 -19.439 1.00 0.00 C ATOM 547 NZ LYS A 36 66.580 -5.433 -19.546 1.00 0.00 N ATOM 0 H LYS A 36 65.450 -4.692 -15.099 1.00 0.00 H new ATOM 0 HA LYS A 36 67.423 -5.272 -16.066 1.00 0.00 H new ATOM 0 HB2 LYS A 36 68.096 -2.288 -16.191 1.00 0.00 H new ATOM 0 HB3 LYS A 36 68.827 -3.560 -17.149 1.00 0.00 H new ATOM 0 HG2 LYS A 36 66.057 -3.893 -17.594 1.00 0.00 H new ATOM 0 HG3 LYS A 36 66.268 -2.153 -17.569 1.00 0.00 H new ATOM 0 HD2 LYS A 36 66.691 -2.786 -19.848 1.00 0.00 H new ATOM 0 HD3 LYS A 36 68.279 -2.501 -19.164 1.00 0.00 H new ATOM 0 HE2 LYS A 36 68.363 -4.623 -20.375 1.00 0.00 H new ATOM 0 HE3 LYS A 36 68.462 -4.984 -18.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 66.764 -6.235 -20.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 66.321 -5.790 -18.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 65.799 -4.862 -19.927 1.00 0.00 H new ATOM 561 N ASP A 37 68.168 -3.950 -13.292 1.00 0.00 N ATOM 562 CA ASP A 37 69.171 -3.970 -12.187 1.00 0.00 C ATOM 563 C ASP A 37 68.618 -3.219 -10.976 1.00 0.00 C ATOM 564 O ASP A 37 69.251 -2.326 -10.448 1.00 0.00 O ATOM 565 CB ASP A 37 70.461 -3.288 -12.653 1.00 0.00 C ATOM 566 CG ASP A 37 71.642 -4.253 -12.508 1.00 0.00 C ATOM 567 OD1 ASP A 37 71.417 -5.380 -12.098 1.00 0.00 O ATOM 568 OD2 ASP A 37 72.751 -3.846 -12.808 1.00 0.00 O ATOM 0 H ASP A 37 67.231 -3.647 -13.027 1.00 0.00 H new ATOM 0 HA ASP A 37 69.380 -5.004 -11.912 1.00 0.00 H new ATOM 0 HB2 ASP A 37 70.362 -2.974 -13.692 1.00 0.00 H new ATOM 0 HB3 ASP A 37 70.640 -2.389 -12.064 1.00 0.00 H new ATOM 573 N ALA A 38 67.445 -3.570 -10.527 1.00 0.00 N ATOM 574 CA ALA A 38 66.866 -2.870 -9.347 1.00 0.00 C ATOM 575 C ALA A 38 67.752 -3.129 -8.126 1.00 0.00 C ATOM 576 O ALA A 38 67.725 -2.393 -7.159 1.00 0.00 O ATOM 577 CB ALA A 38 65.458 -3.403 -9.077 1.00 0.00 C ATOM 0 H ALA A 38 66.864 -4.308 -10.924 1.00 0.00 H new ATOM 0 HA ALA A 38 66.815 -1.799 -9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 38 65.034 -2.891 -8.213 1.00 0.00 H new ATOM 0 HB2 ALA A 38 64.828 -3.226 -9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 38 65.506 -4.473 -8.876 1.00 0.00 H new ATOM 583 N VAL A 39 68.537 -4.169 -8.166 1.00 0.00 N ATOM 584 CA VAL A 39 69.425 -4.480 -7.012 1.00 0.00 C ATOM 585 C VAL A 39 70.649 -3.564 -7.047 1.00 0.00 C ATOM 586 O VAL A 39 70.837 -2.731 -6.183 1.00 0.00 O ATOM 587 CB VAL A 39 69.878 -5.939 -7.096 1.00 0.00 C ATOM 588 CG1 VAL A 39 70.520 -6.355 -5.773 1.00 0.00 C ATOM 589 CG2 VAL A 39 68.666 -6.831 -7.376 1.00 0.00 C ATOM 0 H VAL A 39 68.602 -4.818 -8.950 1.00 0.00 H new ATOM 0 HA VAL A 39 68.880 -4.321 -6.082 1.00 0.00 H new ATOM 0 HB VAL A 39 70.606 -6.047 -7.900 1.00 0.00 H new ATOM 0 HG11 VAL A 39 70.842 -7.395 -5.836 1.00 0.00 H new ATOM 0 HG12 VAL A 39 71.383 -5.720 -5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 39 69.794 -6.248 -4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 39 68.986 -7.871 -7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 39 67.940 -6.721 -6.571 1.00 0.00 H new ATOM 0 HG23 VAL A 39 68.208 -6.537 -8.320 1.00 0.00 H new ATOM 599 N ASP A 40 71.484 -3.709 -8.040 1.00 0.00 N ATOM 600 CA ASP A 40 72.692 -2.842 -8.125 1.00 0.00 C ATOM 601 C ASP A 40 72.281 -1.381 -7.940 1.00 0.00 C ATOM 602 O ASP A 40 72.843 -0.665 -7.134 1.00 0.00 O ATOM 603 CB ASP A 40 73.356 -3.018 -9.493 1.00 0.00 C ATOM 604 CG ASP A 40 74.106 -4.351 -9.530 1.00 0.00 C ATOM 605 OD1 ASP A 40 74.827 -4.628 -8.586 1.00 0.00 O ATOM 606 OD2 ASP A 40 73.946 -5.073 -10.500 1.00 0.00 O ATOM 0 H ASP A 40 71.382 -4.389 -8.794 1.00 0.00 H new ATOM 0 HA ASP A 40 73.398 -3.124 -7.344 1.00 0.00 H new ATOM 0 HB2 ASP A 40 72.603 -2.991 -10.281 1.00 0.00 H new ATOM 0 HB3 ASP A 40 74.046 -2.195 -9.683 1.00 0.00 H new ATOM 611 N TYR A 41 71.306 -0.931 -8.681 1.00 0.00 N ATOM 612 CA TYR A 41 70.861 0.483 -8.545 1.00 0.00 C ATOM 613 C TYR A 41 70.435 0.750 -7.100 1.00 0.00 C ATOM 614 O TYR A 41 70.982 1.600 -6.429 1.00 0.00 O ATOM 615 CB TYR A 41 69.677 0.741 -9.477 1.00 0.00 C ATOM 616 CG TYR A 41 69.257 2.187 -9.361 1.00 0.00 C ATOM 617 CD1 TYR A 41 70.203 3.205 -9.531 1.00 0.00 C ATOM 618 CD2 TYR A 41 67.923 2.511 -9.082 1.00 0.00 C ATOM 619 CE1 TYR A 41 69.816 4.546 -9.421 1.00 0.00 C ATOM 620 CE2 TYR A 41 67.536 3.852 -8.973 1.00 0.00 C ATOM 621 CZ TYR A 41 68.483 4.870 -9.142 1.00 0.00 C ATOM 622 OH TYR A 41 68.102 6.192 -9.034 1.00 0.00 O ATOM 0 H TYR A 41 70.799 -1.482 -9.374 1.00 0.00 H new ATOM 0 HA TYR A 41 71.685 1.146 -8.811 1.00 0.00 H new ATOM 0 HB2 TYR A 41 69.953 0.512 -10.506 1.00 0.00 H new ATOM 0 HB3 TYR A 41 68.845 0.087 -9.217 1.00 0.00 H new ATOM 0 HD1 TYR A 41 71.231 2.956 -9.747 1.00 0.00 H new ATOM 0 HD2 TYR A 41 67.193 1.726 -8.951 1.00 0.00 H new ATOM 0 HE1 TYR A 41 70.546 5.331 -9.551 1.00 0.00 H new ATOM 0 HE2 TYR A 41 66.507 4.102 -8.759 1.00 0.00 H new ATOM 0 HH TYR A 41 67.143 6.241 -8.839 1.00 0.00 H new ATOM 632 N LEU A 42 69.458 0.031 -6.619 1.00 0.00 N ATOM 633 CA LEU A 42 68.990 0.245 -5.220 1.00 0.00 C ATOM 634 C LEU A 42 70.191 0.309 -4.276 1.00 0.00 C ATOM 635 O LEU A 42 70.583 1.366 -3.823 1.00 0.00 O ATOM 636 CB LEU A 42 68.075 -0.910 -4.808 1.00 0.00 C ATOM 637 CG LEU A 42 66.656 -0.639 -5.313 1.00 0.00 C ATOM 638 CD1 LEU A 42 65.829 -1.922 -5.229 1.00 0.00 C ATOM 639 CD2 LEU A 42 66.006 0.443 -4.447 1.00 0.00 C ATOM 0 H LEU A 42 68.963 -0.696 -7.135 1.00 0.00 H new ATOM 0 HA LEU A 42 68.440 1.184 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.447 -1.848 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 42 68.073 -1.018 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 42 66.698 -0.302 -6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 42 64.819 -1.728 -5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 42 66.291 -2.694 -5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 42 65.787 -2.260 -4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 42 64.995 0.637 -4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 42 65.965 0.105 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 42 66.594 1.359 -4.506 1.00 0.00 H new ATOM 651 N ALA A 43 70.778 -0.814 -3.973 1.00 0.00 N ATOM 652 CA ALA A 43 71.953 -0.816 -3.055 1.00 0.00 C ATOM 653 C ALA A 43 72.902 0.324 -3.436 1.00 0.00 C ATOM 654 O ALA A 43 73.643 0.826 -2.614 1.00 0.00 O ATOM 655 CB ALA A 43 72.689 -2.152 -3.172 1.00 0.00 C ATOM 0 H ALA A 43 70.496 -1.731 -4.320 1.00 0.00 H new ATOM 0 HA ALA A 43 71.612 -0.677 -2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 43 73.548 -2.154 -2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 43 72.014 -2.964 -2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 43 73.030 -2.291 -4.198 1.00 0.00 H new ATOM 661 N GLY A 44 72.886 0.735 -4.674 1.00 0.00 N ATOM 662 CA GLY A 44 73.789 1.839 -5.105 1.00 0.00 C ATOM 663 C GLY A 44 73.398 3.134 -4.390 1.00 0.00 C ATOM 664 O GLY A 44 74.228 3.810 -3.815 1.00 0.00 O ATOM 0 H GLY A 44 72.286 0.354 -5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 44 74.824 1.585 -4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 44 73.724 1.974 -6.185 1.00 0.00 H new ATOM 668 N LYS A 45 72.141 3.485 -4.420 1.00 0.00 N ATOM 669 CA LYS A 45 71.701 4.737 -3.742 1.00 0.00 C ATOM 670 C LYS A 45 71.461 4.460 -2.255 1.00 0.00 C ATOM 671 O LYS A 45 71.143 5.351 -1.493 1.00 0.00 O ATOM 672 CB LYS A 45 70.405 5.234 -4.385 1.00 0.00 C ATOM 673 CG LYS A 45 70.540 6.720 -4.723 1.00 0.00 C ATOM 674 CD LYS A 45 70.520 6.903 -6.242 1.00 0.00 C ATOM 675 CE LYS A 45 71.736 6.207 -6.857 1.00 0.00 C ATOM 676 NZ LYS A 45 72.939 7.071 -6.690 1.00 0.00 N ATOM 0 H LYS A 45 71.401 2.959 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 45 72.475 5.497 -3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 45 70.192 4.663 -5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 45 69.567 5.079 -3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 45 69.725 7.283 -4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 45 71.469 7.114 -4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 45 69.602 6.487 -6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 45 70.531 7.964 -6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 45 71.898 5.242 -6.376 1.00 0.00 H new ATOM 0 HE3 LYS A 45 71.560 6.011 -7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 73.481 7.086 -7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 72.641 8.038 -6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 73.535 6.692 -5.927 1.00 0.00 H new ATOM 690 N ILE A 46 71.613 3.233 -1.835 1.00 0.00 N ATOM 691 CA ILE A 46 71.394 2.907 -0.397 1.00 0.00 C ATOM 692 C ILE A 46 72.664 3.217 0.398 1.00 0.00 C ATOM 693 O ILE A 46 72.612 3.758 1.485 1.00 0.00 O ATOM 694 CB ILE A 46 71.054 1.423 -0.256 1.00 0.00 C ATOM 695 CG1 ILE A 46 69.643 1.172 -0.794 1.00 0.00 C ATOM 696 CG2 ILE A 46 71.114 1.022 1.219 1.00 0.00 C ATOM 697 CD1 ILE A 46 69.266 -0.293 -0.571 1.00 0.00 C ATOM 0 H ILE A 46 71.879 2.444 -2.424 1.00 0.00 H new ATOM 0 HA ILE A 46 70.570 3.507 -0.012 1.00 0.00 H new ATOM 0 HB ILE A 46 71.772 0.830 -0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 46 68.929 1.823 -0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 46 69.599 1.412 -1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.871 -0.036 1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 46 72.118 1.202 1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 46 70.396 1.614 1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 46 68.261 -0.472 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 46 69.974 -0.935 -1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 46 69.293 -0.518 0.495 1.00 0.00 H new ATOM 709 N LYS A 47 73.804 2.874 -0.133 1.00 0.00 N ATOM 710 CA LYS A 47 75.076 3.146 0.595 1.00 0.00 C ATOM 711 C LYS A 47 75.535 4.580 0.317 1.00 0.00 C ATOM 712 O LYS A 47 76.570 5.011 0.784 1.00 0.00 O ATOM 713 CB LYS A 47 76.150 2.166 0.120 1.00 0.00 C ATOM 714 CG LYS A 47 76.997 1.719 1.311 1.00 0.00 C ATOM 715 CD LYS A 47 78.400 2.317 1.190 1.00 0.00 C ATOM 716 CE LYS A 47 79.189 2.032 2.469 1.00 0.00 C ATOM 717 NZ LYS A 47 80.523 1.473 2.112 1.00 0.00 N ATOM 0 H LYS A 47 73.911 2.417 -1.039 1.00 0.00 H new ATOM 0 HA LYS A 47 74.914 3.022 1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.684 1.301 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 47 76.782 2.639 -0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 47 76.532 2.040 2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 47 77.055 0.631 1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 47 78.916 1.890 0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 47 78.335 3.392 1.022 1.00 0.00 H new ATOM 0 HE2 LYS A 47 79.309 2.948 3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 47 78.643 1.328 3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 81.061 1.278 2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 80.398 0.590 1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 81.043 2.160 1.529 1.00 0.00 H new ATOM 731 N LYS A 48 74.774 5.321 -0.442 1.00 0.00 N ATOM 732 CA LYS A 48 75.170 6.725 -0.747 1.00 0.00 C ATOM 733 C LYS A 48 74.124 7.687 -0.176 1.00 0.00 C ATOM 734 O LYS A 48 74.203 8.885 -0.366 1.00 0.00 O ATOM 735 CB LYS A 48 75.257 6.909 -2.263 1.00 0.00 C ATOM 736 CG LYS A 48 76.642 7.443 -2.633 1.00 0.00 C ATOM 737 CD LYS A 48 77.435 6.352 -3.355 1.00 0.00 C ATOM 738 CE LYS A 48 78.913 6.462 -2.976 1.00 0.00 C ATOM 739 NZ LYS A 48 79.749 6.381 -4.207 1.00 0.00 N ATOM 0 H LYS A 48 73.897 5.015 -0.863 1.00 0.00 H new ATOM 0 HA LYS A 48 76.140 6.936 -0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 48 75.075 5.959 -2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 48 74.486 7.602 -2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 48 76.546 8.321 -3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 48 77.173 7.759 -1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 48 77.051 5.368 -3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 48 77.316 6.454 -4.434 1.00 0.00 H new ATOM 0 HE2 LYS A 48 79.098 7.404 -2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 48 79.183 5.662 -2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 80.754 6.456 -3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 79.580 5.471 -4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 79.497 7.159 -4.849 1.00 0.00 H new ATOM 753 N GLY A 49 73.146 7.174 0.519 1.00 0.00 N ATOM 754 CA GLY A 49 72.098 8.061 1.097 1.00 0.00 C ATOM 755 C GLY A 49 71.007 8.310 0.054 1.00 0.00 C ATOM 756 O GLY A 49 71.014 7.732 -1.015 1.00 0.00 O ATOM 0 H GLY A 49 73.028 6.179 0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 49 71.667 7.601 1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 49 72.540 9.007 1.410 1.00 0.00 H new ATOM 760 N GLY A 50 70.068 9.164 0.355 1.00 0.00 N ATOM 761 CA GLY A 50 68.977 9.449 -0.623 1.00 0.00 C ATOM 762 C GLY A 50 68.687 10.950 -0.641 1.00 0.00 C ATOM 763 O GLY A 50 68.929 11.647 0.324 1.00 0.00 O ATOM 0 H GLY A 50 70.008 9.677 1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 50 69.269 9.112 -1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 50 68.077 8.897 -0.351 1.00 0.00 H new ATOM 767 N SER A 51 68.174 11.458 -1.729 1.00 0.00 N ATOM 768 CA SER A 51 67.877 12.915 -1.794 1.00 0.00 C ATOM 769 C SER A 51 67.564 13.324 -3.238 1.00 0.00 C ATOM 770 O SER A 51 68.412 13.834 -3.942 1.00 0.00 O ATOM 771 CB SER A 51 69.093 13.696 -1.302 1.00 0.00 C ATOM 772 OG SER A 51 70.255 12.887 -1.439 1.00 0.00 O ATOM 0 H SER A 51 67.949 10.929 -2.571 1.00 0.00 H new ATOM 0 HA SER A 51 67.013 13.134 -1.166 1.00 0.00 H new ATOM 0 HB2 SER A 51 69.206 14.616 -1.876 1.00 0.00 H new ATOM 0 HB3 SER A 51 68.957 13.985 -0.260 1.00 0.00 H new ATOM 0 HG SER A 51 70.668 12.756 -0.560 1.00 0.00 H new ATOM 778 N GLY A 52 66.355 13.113 -3.682 1.00 0.00 N ATOM 779 CA GLY A 52 65.998 13.501 -5.077 1.00 0.00 C ATOM 780 C GLY A 52 65.145 12.407 -5.719 1.00 0.00 C ATOM 781 O GLY A 52 64.268 12.677 -6.514 1.00 0.00 O ATOM 0 H GLY A 52 65.601 12.690 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 52 65.452 14.444 -5.073 1.00 0.00 H new ATOM 0 HA3 GLY A 52 66.903 13.659 -5.663 1.00 0.00 H new ATOM 785 N VAL A 53 65.398 11.173 -5.384 1.00 0.00 N ATOM 786 CA VAL A 53 64.604 10.063 -5.980 1.00 0.00 C ATOM 787 C VAL A 53 63.186 10.079 -5.406 1.00 0.00 C ATOM 788 O VAL A 53 62.290 9.448 -5.929 1.00 0.00 O ATOM 789 CB VAL A 53 65.273 8.728 -5.652 1.00 0.00 C ATOM 790 CG1 VAL A 53 64.556 7.604 -6.401 1.00 0.00 C ATOM 791 CG2 VAL A 53 66.739 8.776 -6.084 1.00 0.00 C ATOM 0 H VAL A 53 66.120 10.885 -4.724 1.00 0.00 H new ATOM 0 HA VAL A 53 64.556 10.191 -7.061 1.00 0.00 H new ATOM 0 HB VAL A 53 65.216 8.544 -4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 53 65.031 6.651 -6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 53 63.510 7.572 -6.095 1.00 0.00 H new ATOM 0 HG13 VAL A 53 64.615 7.787 -7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 53 67.218 7.825 -5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 53 66.796 8.958 -7.157 1.00 0.00 H new ATOM 0 HG23 VAL A 53 67.249 9.579 -5.552 1.00 0.00 H new ATOM 801 N TRP A 54 62.975 10.794 -4.335 1.00 0.00 N ATOM 802 CA TRP A 54 61.612 10.846 -3.733 1.00 0.00 C ATOM 803 C TRP A 54 61.313 12.273 -3.267 1.00 0.00 C ATOM 804 O TRP A 54 60.403 12.506 -2.496 1.00 0.00 O ATOM 805 CB TRP A 54 61.545 9.894 -2.537 1.00 0.00 C ATOM 806 CG TRP A 54 61.735 8.487 -3.009 1.00 0.00 C ATOM 807 CD1 TRP A 54 62.929 7.911 -3.275 1.00 0.00 C ATOM 808 CD2 TRP A 54 60.722 7.474 -3.275 1.00 0.00 C ATOM 809 NE1 TRP A 54 62.715 6.608 -3.686 1.00 0.00 N ATOM 810 CE2 TRP A 54 61.370 6.291 -3.703 1.00 0.00 C ATOM 811 CE3 TRP A 54 59.319 7.467 -3.187 1.00 0.00 C ATOM 812 CZ2 TRP A 54 60.651 5.142 -4.033 1.00 0.00 C ATOM 813 CZ3 TRP A 54 58.591 6.311 -3.519 1.00 0.00 C ATOM 814 CH2 TRP A 54 59.257 5.151 -3.941 1.00 0.00 C ATOM 0 H TRP A 54 63.685 11.343 -3.851 1.00 0.00 H new ATOM 0 HA TRP A 54 60.875 10.546 -4.478 1.00 0.00 H new ATOM 0 HB2 TRP A 54 62.315 10.152 -1.810 1.00 0.00 H new ATOM 0 HB3 TRP A 54 60.584 9.993 -2.033 1.00 0.00 H new ATOM 0 HD1 TRP A 54 63.892 8.390 -3.182 1.00 0.00 H new ATOM 0 HE1 TRP A 54 63.459 5.960 -3.945 1.00 0.00 H new ATOM 0 HE3 TRP A 54 58.797 8.355 -2.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 61.169 4.251 -4.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 57.513 6.316 -3.449 1.00 0.00 H new ATOM 0 HH2 TRP A 54 58.693 4.266 -4.195 1.00 0.00 H new ATOM 825 N GLY A 55 62.071 13.229 -3.728 1.00 0.00 N ATOM 826 CA GLY A 55 61.828 14.639 -3.310 1.00 0.00 C ATOM 827 C GLY A 55 63.142 15.270 -2.849 1.00 0.00 C ATOM 828 O GLY A 55 64.214 14.841 -3.227 1.00 0.00 O ATOM 0 H GLY A 55 62.848 13.095 -4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 55 61.411 15.209 -4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 55 61.096 14.669 -2.503 1.00 0.00 H new ATOM 832 N SER A 56 63.069 16.285 -2.032 1.00 0.00 N ATOM 833 CA SER A 56 64.315 16.942 -1.546 1.00 0.00 C ATOM 834 C SER A 56 64.626 16.454 -0.129 1.00 0.00 C ATOM 835 O SER A 56 65.138 17.186 0.693 1.00 0.00 O ATOM 836 CB SER A 56 64.122 18.459 -1.534 1.00 0.00 C ATOM 837 OG SER A 56 63.638 18.881 -2.802 1.00 0.00 O ATOM 0 H SER A 56 62.200 16.688 -1.680 1.00 0.00 H new ATOM 0 HA SER A 56 65.143 16.689 -2.208 1.00 0.00 H new ATOM 0 HB2 SER A 56 63.418 18.741 -0.751 1.00 0.00 H new ATOM 0 HB3 SER A 56 65.066 18.955 -1.309 1.00 0.00 H new ATOM 0 HG SER A 56 63.512 19.853 -2.797 1.00 0.00 H new ATOM 843 N VAL A 57 64.321 15.218 0.160 1.00 0.00 N ATOM 844 CA VAL A 57 64.599 14.678 1.520 1.00 0.00 C ATOM 845 C VAL A 57 66.043 14.160 1.572 1.00 0.00 C ATOM 846 O VAL A 57 66.378 13.211 0.891 1.00 0.00 O ATOM 847 CB VAL A 57 63.634 13.529 1.812 1.00 0.00 C ATOM 848 CG1 VAL A 57 63.522 13.327 3.325 1.00 0.00 C ATOM 849 CG2 VAL A 57 62.255 13.865 1.240 1.00 0.00 C ATOM 0 H VAL A 57 63.891 14.559 -0.488 1.00 0.00 H new ATOM 0 HA VAL A 57 64.466 15.463 2.264 1.00 0.00 H new ATOM 0 HB VAL A 57 64.008 12.615 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 57 62.834 12.508 3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 57 64.504 13.089 3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 57 63.148 14.241 3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 57 61.566 13.046 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 57 61.882 14.779 1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 57 62.333 14.009 0.162 1.00 0.00 H new ATOM 859 N PRO A 58 66.860 14.797 2.376 1.00 0.00 N ATOM 860 CA PRO A 58 68.275 14.415 2.525 1.00 0.00 C ATOM 861 C PRO A 58 68.410 13.179 3.419 1.00 0.00 C ATOM 862 O PRO A 58 68.860 13.260 4.544 1.00 0.00 O ATOM 863 CB PRO A 58 68.912 15.640 3.187 1.00 0.00 C ATOM 864 CG PRO A 58 67.762 16.404 3.885 1.00 0.00 C ATOM 865 CD PRO A 58 66.456 15.951 3.205 1.00 0.00 C ATOM 0 HA PRO A 58 68.747 14.154 1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 58 69.673 15.341 3.907 1.00 0.00 H new ATOM 0 HB3 PRO A 58 69.404 16.270 2.446 1.00 0.00 H new ATOM 0 HG2 PRO A 58 67.741 16.182 4.952 1.00 0.00 H new ATOM 0 HG3 PRO A 58 67.897 17.481 3.787 1.00 0.00 H new ATOM 0 HD2 PRO A 58 65.702 15.669 3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 58 66.027 16.747 2.597 1.00 0.00 H new ATOM 873 N MET A 59 68.032 12.032 2.923 1.00 0.00 N ATOM 874 CA MET A 59 68.146 10.795 3.742 1.00 0.00 C ATOM 875 C MET A 59 69.621 10.556 4.086 1.00 0.00 C ATOM 876 O MET A 59 70.481 10.714 3.241 1.00 0.00 O ATOM 877 CB MET A 59 67.606 9.607 2.942 1.00 0.00 C ATOM 878 CG MET A 59 68.011 8.302 3.630 1.00 0.00 C ATOM 879 SD MET A 59 67.548 6.900 2.585 1.00 0.00 S ATOM 880 CE MET A 59 69.023 5.898 2.891 1.00 0.00 C ATOM 0 H MET A 59 67.650 11.900 1.987 1.00 0.00 H new ATOM 0 HA MET A 59 67.570 10.904 4.661 1.00 0.00 H new ATOM 0 HB2 MET A 59 66.520 9.669 2.867 1.00 0.00 H new ATOM 0 HB3 MET A 59 67.998 9.631 1.925 1.00 0.00 H new ATOM 0 HG2 MET A 59 69.085 8.293 3.813 1.00 0.00 H new ATOM 0 HG3 MET A 59 67.521 8.223 4.601 1.00 0.00 H new ATOM 0 HE1 MET A 59 68.793 4.848 2.712 1.00 0.00 H new ATOM 0 HE2 MET A 59 69.823 6.213 2.221 1.00 0.00 H new ATOM 0 HE3 MET A 59 69.343 6.028 3.925 1.00 0.00 H new ATOM 890 N PRO A 60 69.874 10.184 5.317 1.00 0.00 N ATOM 891 CA PRO A 60 71.241 9.922 5.799 1.00 0.00 C ATOM 892 C PRO A 60 71.726 8.547 5.322 1.00 0.00 C ATOM 893 O PRO A 60 70.947 7.621 5.214 1.00 0.00 O ATOM 894 CB PRO A 60 71.097 9.952 7.323 1.00 0.00 C ATOM 895 CG PRO A 60 69.607 9.662 7.626 1.00 0.00 C ATOM 896 CD PRO A 60 68.825 9.988 6.339 1.00 0.00 C ATOM 0 HA PRO A 60 71.970 10.644 5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 60 71.741 9.206 7.789 1.00 0.00 H new ATOM 0 HB3 PRO A 60 71.393 10.922 7.722 1.00 0.00 H new ATOM 0 HG2 PRO A 60 69.465 8.620 7.912 1.00 0.00 H new ATOM 0 HG3 PRO A 60 69.255 10.272 8.458 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.150 9.176 6.067 1.00 0.00 H new ATOM 0 HD3 PRO A 60 68.215 10.883 6.460 1.00 0.00 H new ATOM 904 N PRO A 61 73.004 8.458 5.052 1.00 0.00 N ATOM 905 CA PRO A 61 73.630 7.210 4.586 1.00 0.00 C ATOM 906 C PRO A 61 73.848 6.249 5.757 1.00 0.00 C ATOM 907 O PRO A 61 73.906 6.653 6.901 1.00 0.00 O ATOM 908 CB PRO A 61 74.967 7.676 4.003 1.00 0.00 C ATOM 909 CG PRO A 61 75.279 9.041 4.661 1.00 0.00 C ATOM 910 CD PRO A 61 73.941 9.593 5.187 1.00 0.00 C ATOM 0 HA PRO A 61 73.021 6.669 3.862 1.00 0.00 H new ATOM 0 HB2 PRO A 61 75.756 6.954 4.214 1.00 0.00 H new ATOM 0 HB3 PRO A 61 74.905 7.773 2.919 1.00 0.00 H new ATOM 0 HG2 PRO A 61 75.996 8.924 5.474 1.00 0.00 H new ATOM 0 HG3 PRO A 61 75.724 9.726 3.939 1.00 0.00 H new ATOM 0 HD2 PRO A 61 74.025 9.920 6.224 1.00 0.00 H new ATOM 0 HD3 PRO A 61 73.610 10.454 4.607 1.00 0.00 H new ATOM 918 N GLN A 62 73.970 4.980 5.479 1.00 0.00 N ATOM 919 CA GLN A 62 74.181 3.991 6.572 1.00 0.00 C ATOM 920 C GLN A 62 75.527 3.292 6.368 1.00 0.00 C ATOM 921 O GLN A 62 76.064 3.267 5.279 1.00 0.00 O ATOM 922 CB GLN A 62 73.059 2.953 6.533 1.00 0.00 C ATOM 923 CG GLN A 62 71.741 3.637 6.162 1.00 0.00 C ATOM 924 CD GLN A 62 71.341 4.615 7.268 1.00 0.00 C ATOM 925 OE1 GLN A 62 71.818 4.518 8.382 1.00 0.00 O ATOM 926 NE2 GLN A 62 70.478 5.559 7.008 1.00 0.00 N ATOM 0 H GLN A 62 73.932 4.585 4.539 1.00 0.00 H new ATOM 0 HA GLN A 62 74.177 4.500 7.536 1.00 0.00 H new ATOM 0 HB2 GLN A 62 73.294 2.175 5.806 1.00 0.00 H new ATOM 0 HB3 GLN A 62 72.967 2.465 7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.849 4.167 5.216 1.00 0.00 H new ATOM 0 HG3 GLN A 62 70.959 2.891 6.022 1.00 0.00 H new ATOM 0 HE21 GLN A 62 70.078 5.641 6.073 1.00 0.00 H new ATOM 0 HE22 GLN A 62 70.204 6.215 7.739 1.00 0.00 H new ATOM 935 N ASN A 63 76.078 2.721 7.405 1.00 0.00 N ATOM 936 CA ASN A 63 77.386 2.023 7.261 1.00 0.00 C ATOM 937 C ASN A 63 77.146 0.563 6.869 1.00 0.00 C ATOM 938 O ASN A 63 77.717 -0.346 7.439 1.00 0.00 O ATOM 939 CB ASN A 63 78.144 2.079 8.593 1.00 0.00 C ATOM 940 CG ASN A 63 77.502 1.113 9.590 1.00 0.00 C ATOM 941 OD1 ASN A 63 76.411 1.351 10.070 1.00 0.00 O ATOM 942 ND2 ASN A 63 78.136 0.021 9.923 1.00 0.00 N ATOM 0 H ASN A 63 75.679 2.708 8.344 1.00 0.00 H new ATOM 0 HA ASN A 63 77.976 2.513 6.487 1.00 0.00 H new ATOM 0 HB2 ASN A 63 79.190 1.816 8.439 1.00 0.00 H new ATOM 0 HB3 ASN A 63 78.126 3.094 8.991 1.00 0.00 H new ATOM 0 HD21 ASN A 63 77.716 -0.631 10.585 1.00 0.00 H new ATOM 0 HD22 ASN A 63 79.052 -0.180 9.521 1.00 0.00 H new ATOM 949 N VAL A 64 76.299 0.329 5.903 1.00 0.00 N ATOM 950 CA VAL A 64 76.020 -1.073 5.480 1.00 0.00 C ATOM 951 C VAL A 64 76.959 -1.464 4.338 1.00 0.00 C ATOM 952 O VAL A 64 77.473 -0.625 3.626 1.00 0.00 O ATOM 953 CB VAL A 64 74.573 -1.180 4.998 1.00 0.00 C ATOM 954 CG1 VAL A 64 73.624 -0.814 6.141 1.00 0.00 C ATOM 955 CG2 VAL A 64 74.355 -0.217 3.829 1.00 0.00 C ATOM 0 H VAL A 64 75.789 1.047 5.389 1.00 0.00 H new ATOM 0 HA VAL A 64 76.178 -1.742 6.326 1.00 0.00 H new ATOM 0 HB VAL A 64 74.373 -2.201 4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 64 72.593 -0.891 5.796 1.00 0.00 H new ATOM 0 HG12 VAL A 64 73.779 -1.497 6.976 1.00 0.00 H new ATOM 0 HG13 VAL A 64 73.823 0.207 6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 64 73.324 -0.292 3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 64 74.555 0.803 4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 64 75.030 -0.476 3.014 1.00 0.00 H new ATOM 965 N THR A 65 77.178 -2.737 4.154 1.00 0.00 N ATOM 966 CA THR A 65 78.074 -3.188 3.055 1.00 0.00 C ATOM 967 C THR A 65 77.248 -3.376 1.782 1.00 0.00 C ATOM 968 O THR A 65 76.087 -3.021 1.727 1.00 0.00 O ATOM 969 CB THR A 65 78.729 -4.517 3.442 1.00 0.00 C ATOM 970 OG1 THR A 65 78.750 -4.636 4.857 1.00 0.00 O ATOM 971 CG2 THR A 65 80.158 -4.561 2.902 1.00 0.00 C ATOM 0 H THR A 65 76.774 -3.484 4.719 1.00 0.00 H new ATOM 0 HA THR A 65 78.850 -2.442 2.883 1.00 0.00 H new ATOM 0 HB THR A 65 78.159 -5.342 3.016 1.00 0.00 H new ATOM 0 HG1 THR A 65 79.167 -5.487 5.108 1.00 0.00 H new ATOM 0 HG21 THR A 65 80.622 -5.508 3.178 1.00 0.00 H new ATOM 0 HG22 THR A 65 80.140 -4.469 1.816 1.00 0.00 H new ATOM 0 HG23 THR A 65 80.733 -3.737 3.326 1.00 0.00 H new ATOM 979 N ASP A 66 77.832 -3.928 0.755 1.00 0.00 N ATOM 980 CA ASP A 66 77.075 -4.133 -0.506 1.00 0.00 C ATOM 981 C ASP A 66 76.198 -5.379 -0.381 1.00 0.00 C ATOM 982 O ASP A 66 75.135 -5.461 -0.965 1.00 0.00 O ATOM 983 CB ASP A 66 78.053 -4.307 -1.670 1.00 0.00 C ATOM 984 CG ASP A 66 77.273 -4.442 -2.979 1.00 0.00 C ATOM 985 OD1 ASP A 66 76.055 -4.451 -2.922 1.00 0.00 O ATOM 986 OD2 ASP A 66 77.908 -4.534 -4.016 1.00 0.00 O ATOM 0 H ASP A 66 78.801 -4.245 0.737 1.00 0.00 H new ATOM 0 HA ASP A 66 76.443 -3.265 -0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 66 78.727 -3.452 -1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 66 78.671 -5.191 -1.510 1.00 0.00 H new ATOM 991 N ALA A 67 76.629 -6.352 0.375 1.00 0.00 N ATOM 992 CA ALA A 67 75.811 -7.586 0.535 1.00 0.00 C ATOM 993 C ALA A 67 74.536 -7.249 1.310 1.00 0.00 C ATOM 994 O ALA A 67 73.467 -7.740 1.008 1.00 0.00 O ATOM 995 CB ALA A 67 76.614 -8.639 1.302 1.00 0.00 C ATOM 0 H ALA A 67 77.511 -6.345 0.888 1.00 0.00 H new ATOM 0 HA ALA A 67 75.549 -7.980 -0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.013 -9.541 1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 67 77.523 -8.877 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.878 -8.250 2.285 1.00 0.00 H new ATOM 1001 N GLU A 68 74.643 -6.413 2.306 1.00 0.00 N ATOM 1002 CA GLU A 68 73.441 -6.042 3.098 1.00 0.00 C ATOM 1003 C GLU A 68 72.481 -5.242 2.220 1.00 0.00 C ATOM 1004 O GLU A 68 71.310 -5.551 2.120 1.00 0.00 O ATOM 1005 CB GLU A 68 73.861 -5.198 4.302 1.00 0.00 C ATOM 1006 CG GLU A 68 74.044 -6.104 5.520 1.00 0.00 C ATOM 1007 CD GLU A 68 74.351 -5.249 6.750 1.00 0.00 C ATOM 1008 OE1 GLU A 68 75.449 -4.724 6.824 1.00 0.00 O ATOM 1009 OE2 GLU A 68 73.481 -5.133 7.599 1.00 0.00 O ATOM 0 H GLU A 68 75.513 -5.971 2.604 1.00 0.00 H new ATOM 0 HA GLU A 68 72.943 -6.946 3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 68 74.790 -4.671 4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 68 73.106 -4.440 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 68 73.141 -6.692 5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 68 74.855 -6.810 5.343 1.00 0.00 H new ATOM 1016 N ALA A 69 72.967 -4.216 1.582 1.00 0.00 N ATOM 1017 CA ALA A 69 72.083 -3.395 0.708 1.00 0.00 C ATOM 1018 C ALA A 69 71.513 -4.276 -0.407 1.00 0.00 C ATOM 1019 O ALA A 69 70.423 -4.050 -0.897 1.00 0.00 O ATOM 1020 CB ALA A 69 72.890 -2.250 0.093 1.00 0.00 C ATOM 0 H ALA A 69 73.939 -3.909 1.627 1.00 0.00 H new ATOM 0 HA ALA A 69 71.267 -2.983 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 69 72.242 -1.650 -0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 69 73.297 -1.624 0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 69 73.707 -2.659 -0.501 1.00 0.00 H new ATOM 1026 N LYS A 70 72.242 -5.279 -0.813 1.00 0.00 N ATOM 1027 CA LYS A 70 71.747 -6.173 -1.894 1.00 0.00 C ATOM 1028 C LYS A 70 70.569 -7.002 -1.375 1.00 0.00 C ATOM 1029 O LYS A 70 69.625 -7.273 -2.091 1.00 0.00 O ATOM 1030 CB LYS A 70 72.874 -7.108 -2.341 1.00 0.00 C ATOM 1031 CG LYS A 70 73.308 -6.739 -3.761 1.00 0.00 C ATOM 1032 CD LYS A 70 74.244 -7.819 -4.307 1.00 0.00 C ATOM 1033 CE LYS A 70 75.627 -7.219 -4.559 1.00 0.00 C ATOM 1034 NZ LYS A 70 76.619 -7.853 -3.645 1.00 0.00 N ATOM 0 H LYS A 70 73.161 -5.517 -0.441 1.00 0.00 H new ATOM 0 HA LYS A 70 71.419 -5.570 -2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 70 73.720 -7.028 -1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 70 72.536 -8.144 -2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 70 72.434 -6.641 -4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 70 73.813 -5.773 -3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 70 74.318 -8.643 -3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 70 73.841 -8.230 -5.232 1.00 0.00 H new ATOM 0 HE2 LYS A 70 75.920 -7.377 -5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 70 75.603 -6.142 -4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 77.560 -7.445 -3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 76.341 -7.680 -2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 76.649 -8.877 -3.822 1.00 0.00 H new ATOM 1048 N GLN A 71 70.619 -7.410 -0.136 1.00 0.00 N ATOM 1049 CA GLN A 71 69.508 -8.222 0.426 1.00 0.00 C ATOM 1050 C GLN A 71 68.309 -7.324 0.723 1.00 0.00 C ATOM 1051 O GLN A 71 67.188 -7.780 0.793 1.00 0.00 O ATOM 1052 CB GLN A 71 69.974 -8.909 1.716 1.00 0.00 C ATOM 1053 CG GLN A 71 69.941 -7.917 2.883 1.00 0.00 C ATOM 1054 CD GLN A 71 68.815 -8.301 3.847 1.00 0.00 C ATOM 1055 OE1 GLN A 71 69.004 -9.126 4.719 1.00 0.00 O ATOM 1056 NE2 GLN A 71 67.642 -7.737 3.729 1.00 0.00 N ATOM 0 H GLN A 71 71.383 -7.215 0.510 1.00 0.00 H new ATOM 0 HA GLN A 71 69.214 -8.980 -0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 71 69.332 -9.762 1.935 1.00 0.00 H new ATOM 0 HB3 GLN A 71 70.985 -9.296 1.586 1.00 0.00 H new ATOM 0 HG2 GLN A 71 70.898 -7.921 3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 71 69.785 -6.905 2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 71 67.480 -7.044 2.998 1.00 0.00 H new ATOM 0 HE22 GLN A 71 66.888 -7.990 4.368 1.00 0.00 H new ATOM 1065 N LEU A 72 68.532 -6.052 0.903 1.00 0.00 N ATOM 1066 CA LEU A 72 67.395 -5.139 1.198 1.00 0.00 C ATOM 1067 C LEU A 72 66.679 -4.786 -0.105 1.00 0.00 C ATOM 1068 O LEU A 72 65.494 -4.519 -0.119 1.00 0.00 O ATOM 1069 CB LEU A 72 67.915 -3.867 1.870 1.00 0.00 C ATOM 1070 CG LEU A 72 68.466 -4.214 3.255 1.00 0.00 C ATOM 1071 CD1 LEU A 72 69.389 -3.093 3.738 1.00 0.00 C ATOM 1072 CD2 LEU A 72 67.305 -4.376 4.238 1.00 0.00 C ATOM 0 H LEU A 72 69.449 -5.607 0.859 1.00 0.00 H new ATOM 0 HA LEU A 72 66.695 -5.633 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 72 68.695 -3.413 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 72 67.112 -3.135 1.959 1.00 0.00 H new ATOM 0 HG LEU A 72 69.029 -5.146 3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 72 69.780 -3.343 4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 72 70.217 -2.977 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 72 68.829 -2.160 3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.696 -4.623 5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 72 66.742 -3.444 4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.648 -5.176 3.897 1.00 0.00 H new ATOM 1084 N ALA A 73 67.380 -4.796 -1.203 1.00 0.00 N ATOM 1085 CA ALA A 73 66.722 -4.477 -2.500 1.00 0.00 C ATOM 1086 C ALA A 73 66.071 -5.750 -3.039 1.00 0.00 C ATOM 1087 O ALA A 73 64.986 -5.723 -3.587 1.00 0.00 O ATOM 1088 CB ALA A 73 67.763 -3.962 -3.497 1.00 0.00 C ATOM 0 H ALA A 73 68.376 -5.010 -1.259 1.00 0.00 H new ATOM 0 HA ALA A 73 65.966 -3.705 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 73 67.276 -3.730 -4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 73 68.232 -3.062 -3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 73 68.523 -4.727 -3.657 1.00 0.00 H new ATOM 1094 N GLN A 74 66.718 -6.871 -2.872 1.00 0.00 N ATOM 1095 CA GLN A 74 66.131 -8.151 -3.356 1.00 0.00 C ATOM 1096 C GLN A 74 64.959 -8.524 -2.452 1.00 0.00 C ATOM 1097 O GLN A 74 63.957 -9.051 -2.897 1.00 0.00 O ATOM 1098 CB GLN A 74 67.190 -9.255 -3.303 1.00 0.00 C ATOM 1099 CG GLN A 74 67.644 -9.597 -4.725 1.00 0.00 C ATOM 1100 CD GLN A 74 68.373 -10.943 -4.718 1.00 0.00 C ATOM 1101 OE1 GLN A 74 68.705 -11.462 -3.670 1.00 0.00 O ATOM 1102 NE2 GLN A 74 68.638 -11.533 -5.851 1.00 0.00 N ATOM 0 H GLN A 74 67.629 -6.955 -2.421 1.00 0.00 H new ATOM 0 HA GLN A 74 65.787 -8.037 -4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 74 68.042 -8.928 -2.707 1.00 0.00 H new ATOM 0 HB3 GLN A 74 66.782 -10.141 -2.817 1.00 0.00 H new ATOM 0 HG2 GLN A 74 66.783 -9.641 -5.392 1.00 0.00 H new ATOM 0 HG3 GLN A 74 68.303 -8.816 -5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 74 68.359 -11.097 -6.730 1.00 0.00 H new ATOM 0 HE22 GLN A 74 69.124 -12.430 -5.858 1.00 0.00 H new ATOM 1111 N TRP A 75 65.075 -8.245 -1.182 1.00 0.00 N ATOM 1112 CA TRP A 75 63.968 -8.572 -0.239 1.00 0.00 C ATOM 1113 C TRP A 75 62.826 -7.572 -0.447 1.00 0.00 C ATOM 1114 O TRP A 75 61.675 -7.945 -0.550 1.00 0.00 O ATOM 1115 CB TRP A 75 64.497 -8.484 1.200 1.00 0.00 C ATOM 1116 CG TRP A 75 63.371 -8.279 2.165 1.00 0.00 C ATOM 1117 CD1 TRP A 75 62.294 -9.088 2.298 1.00 0.00 C ATOM 1118 CD2 TRP A 75 63.200 -7.206 3.134 1.00 0.00 C ATOM 1119 NE1 TRP A 75 61.473 -8.578 3.288 1.00 0.00 N ATOM 1120 CE2 TRP A 75 61.988 -7.418 3.834 1.00 0.00 C ATOM 1121 CE3 TRP A 75 63.972 -6.080 3.470 1.00 0.00 C ATOM 1122 CZ2 TRP A 75 61.558 -6.542 4.831 1.00 0.00 C ATOM 1123 CZ3 TRP A 75 63.542 -5.197 4.474 1.00 0.00 C ATOM 1124 CH2 TRP A 75 62.337 -5.428 5.153 1.00 0.00 C ATOM 0 H TRP A 75 65.890 -7.804 -0.756 1.00 0.00 H new ATOM 0 HA TRP A 75 63.597 -9.580 -0.422 1.00 0.00 H new ATOM 0 HB2 TRP A 75 65.036 -9.397 1.451 1.00 0.00 H new ATOM 0 HB3 TRP A 75 65.207 -7.661 1.282 1.00 0.00 H new ATOM 0 HD1 TRP A 75 62.106 -9.984 1.725 1.00 0.00 H new ATOM 0 HE1 TRP A 75 60.594 -9.006 3.579 1.00 0.00 H new ATOM 0 HE3 TRP A 75 64.901 -5.893 2.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 60.629 -6.724 5.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 64.143 -4.335 4.725 1.00 0.00 H new ATOM 0 HH2 TRP A 75 62.012 -4.745 5.924 1.00 0.00 H new ATOM 1135 N ILE A 76 63.137 -6.306 -0.510 1.00 0.00 N ATOM 1136 CA ILE A 76 62.071 -5.285 -0.710 1.00 0.00 C ATOM 1137 C ILE A 76 61.281 -5.615 -1.979 1.00 0.00 C ATOM 1138 O ILE A 76 60.096 -5.362 -2.067 1.00 0.00 O ATOM 1139 CB ILE A 76 62.715 -3.902 -0.843 1.00 0.00 C ATOM 1140 CG1 ILE A 76 63.169 -3.421 0.537 1.00 0.00 C ATOM 1141 CG2 ILE A 76 61.703 -2.909 -1.419 1.00 0.00 C ATOM 1142 CD1 ILE A 76 64.106 -2.222 0.378 1.00 0.00 C ATOM 0 H ILE A 76 64.084 -5.935 -0.432 1.00 0.00 H new ATOM 0 HA ILE A 76 61.394 -5.287 0.144 1.00 0.00 H new ATOM 0 HB ILE A 76 63.573 -3.968 -1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 76 62.304 -3.143 1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 76 63.679 -4.227 1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 76 62.168 -1.927 -1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 76 61.378 -3.250 -2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 76 60.841 -2.841 -0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 76 64.429 -1.880 1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 76 64.977 -2.516 -0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 76 63.581 -1.415 -0.133 1.00 0.00 H new ATOM 1154 N LEU A 77 61.927 -6.179 -2.964 1.00 0.00 N ATOM 1155 CA LEU A 77 61.208 -6.525 -4.222 1.00 0.00 C ATOM 1156 C LEU A 77 60.407 -7.813 -4.015 1.00 0.00 C ATOM 1157 O LEU A 77 59.308 -7.959 -4.512 1.00 0.00 O ATOM 1158 CB LEU A 77 62.220 -6.733 -5.352 1.00 0.00 C ATOM 1159 CG LEU A 77 62.787 -5.381 -5.788 1.00 0.00 C ATOM 1160 CD1 LEU A 77 63.996 -5.602 -6.699 1.00 0.00 C ATOM 1161 CD2 LEU A 77 61.714 -4.598 -6.550 1.00 0.00 C ATOM 0 H LEU A 77 62.919 -6.414 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 77 60.531 -5.712 -4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 77 63.026 -7.386 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 77 61.740 -7.227 -6.197 1.00 0.00 H new ATOM 0 HG LEU A 77 63.094 -4.817 -4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 77 64.399 -4.638 -7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 77 64.762 -6.159 -6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 77 63.690 -6.167 -7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 77 62.118 -3.635 -6.861 1.00 0.00 H new ATOM 0 HD22 LEU A 77 61.407 -5.163 -7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 77 60.852 -4.438 -5.903 1.00 0.00 H new ATOM 1173 N SER A 78 60.949 -8.749 -3.285 1.00 0.00 N ATOM 1174 CA SER A 78 60.218 -10.027 -3.050 1.00 0.00 C ATOM 1175 C SER A 78 59.240 -9.858 -1.884 1.00 0.00 C ATOM 1176 O SER A 78 58.592 -10.798 -1.468 1.00 0.00 O ATOM 1177 CB SER A 78 61.221 -11.132 -2.716 1.00 0.00 C ATOM 1178 OG SER A 78 60.551 -12.386 -2.706 1.00 0.00 O ATOM 0 H SER A 78 61.865 -8.685 -2.841 1.00 0.00 H new ATOM 0 HA SER A 78 59.663 -10.295 -3.949 1.00 0.00 H new ATOM 0 HB2 SER A 78 62.026 -11.143 -3.451 1.00 0.00 H new ATOM 0 HB3 SER A 78 61.678 -10.943 -1.745 1.00 0.00 H new ATOM 0 HG SER A 78 59.626 -12.260 -2.407 1.00 0.00 H new ATOM 1184 N ILE A 79 59.122 -8.670 -1.355 1.00 0.00 N ATOM 1185 CA ILE A 79 58.182 -8.452 -0.219 1.00 0.00 C ATOM 1186 C ILE A 79 56.741 -8.510 -0.741 1.00 0.00 C ATOM 1187 O ILE A 79 56.478 -8.263 -1.901 1.00 0.00 O ATOM 1188 CB ILE A 79 58.470 -7.083 0.424 1.00 0.00 C ATOM 1189 CG1 ILE A 79 59.512 -7.258 1.531 1.00 0.00 C ATOM 1190 CG2 ILE A 79 57.193 -6.489 1.034 1.00 0.00 C ATOM 1191 CD1 ILE A 79 59.742 -5.920 2.232 1.00 0.00 C ATOM 0 H ILE A 79 59.635 -7.843 -1.660 1.00 0.00 H new ATOM 0 HA ILE A 79 58.316 -9.228 0.535 1.00 0.00 H new ATOM 0 HB ILE A 79 58.841 -6.407 -0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 79 59.172 -8.003 2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 79 60.448 -7.625 1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 79 57.420 -5.522 1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 79 56.443 -6.360 0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 79 56.808 -7.163 1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 79 60.484 -6.045 3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 79 60.101 -5.187 1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 79 58.805 -5.572 2.667 1.00 0.00 H new ATOM 1203 N LYS A 80 55.806 -8.833 0.113 1.00 0.00 N ATOM 1204 CA LYS A 80 54.384 -8.904 -0.329 1.00 0.00 C ATOM 1205 C LYS A 80 53.646 -7.646 0.130 1.00 0.00 C ATOM 1206 O LYS A 80 52.989 -7.032 -0.696 1.00 0.00 O ATOM 1207 CB LYS A 80 53.716 -10.139 0.283 1.00 0.00 C ATOM 1208 CG LYS A 80 54.241 -10.360 1.704 1.00 0.00 C ATOM 1209 CD LYS A 80 53.430 -11.466 2.382 1.00 0.00 C ATOM 1210 CE LYS A 80 54.322 -12.687 2.615 1.00 0.00 C ATOM 1211 NZ LYS A 80 55.386 -12.345 3.602 1.00 0.00 N ATOM 1212 OXT LYS A 80 53.749 -7.316 1.299 1.00 0.00 O ATOM 0 H LYS A 80 55.966 -9.050 1.097 1.00 0.00 H new ATOM 0 HA LYS A 80 54.346 -8.974 -1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 80 52.634 -10.007 0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 80 53.920 -11.016 -0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 80 55.296 -10.634 1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 80 54.167 -9.436 2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 80 53.031 -11.108 3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 80 52.578 -11.739 1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 80 53.725 -13.522 2.982 1.00 0.00 H new ATOM 0 HE3 LYS A 80 54.772 -13.006 1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 55.639 -13.194 4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 56.226 -11.993 3.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 55.036 -11.610 4.249 1.00 0.00 H new TER 1226 LYS A 80 HETATM 1227 FE HEC A 81 65.577 5.084 3.506 1.00 0.00 FE HETATM 1228 CHA HEC A 81 64.922 6.198 0.392 1.00 0.00 C HETATM 1229 CHB HEC A 81 66.513 2.091 2.254 1.00 0.00 C HETATM 1230 CHC HEC A 81 66.686 4.177 6.559 1.00 0.00 C HETATM 1231 CHD HEC A 81 64.219 7.884 4.815 1.00 0.00 C HETATM 1232 NA HEC A 81 65.679 4.308 1.715 1.00 0.00 N HETATM 1233 C1A HEC A 81 65.409 4.919 0.514 1.00 0.00 C HETATM 1234 C2A HEC A 81 65.598 4.011 -0.593 1.00 0.00 C HETATM 1235 C3A HEC A 81 65.946 2.825 -0.060 1.00 0.00 C HETATM 1236 C4A HEC A 81 66.031 3.025 1.368 1.00 0.00 C HETATM 1237 CMA HEC A 81 66.139 1.518 -0.811 1.00 0.00 C HETATM 1238 CAA HEC A 81 65.456 4.332 -2.074 1.00 0.00 C HETATM 1239 CBA HEC A 81 66.738 4.964 -2.621 1.00 0.00 C HETATM 1240 CGA HEC A 81 67.604 3.884 -3.271 1.00 0.00 C HETATM 1241 O1A HEC A 81 67.425 3.642 -4.454 1.00 0.00 O HETATM 1242 O2A HEC A 81 68.430 3.315 -2.577 1.00 0.00 O HETATM 1243 NB HEC A 81 66.409 3.481 4.245 1.00 0.00 N HETATM 1244 C1B HEC A 81 66.713 2.306 3.597 1.00 0.00 C HETATM 1245 C2B HEC A 81 67.338 1.360 4.491 1.00 0.00 C HETATM 1246 C3B HEC A 81 67.407 1.959 5.694 1.00 0.00 C HETATM 1247 C4B HEC A 81 66.834 3.272 5.536 1.00 0.00 C HETATM 1248 CMB HEC A 81 67.841 -0.031 4.143 1.00 0.00 C HETATM 1249 CAB HEC A 81 67.951 1.361 6.990 1.00 0.00 C HETATM 1250 CBB HEC A 81 69.469 1.181 6.949 1.00 0.00 C HETATM 1251 NC HEC A 81 65.489 5.869 5.293 1.00 0.00 N HETATM 1252 C1C HEC A 81 66.053 5.392 6.453 1.00 0.00 C HETATM 1253 C2C HEC A 81 65.793 6.274 7.567 1.00 0.00 C HETATM 1254 C3C HEC A 81 65.024 7.274 7.094 1.00 0.00 C HETATM 1255 C4C HEC A 81 64.854 7.025 5.681 1.00 0.00 C HETATM 1256 CMC HEC A 81 66.315 6.117 8.986 1.00 0.00 C HETATM 1257 CAC HEC A 81 64.401 8.405 7.905 1.00 0.00 C HETATM 1258 CBC HEC A 81 65.408 9.123 8.804 1.00 0.00 C HETATM 1259 ND HEC A 81 64.748 6.687 2.766 1.00 0.00 N HETATM 1260 C1D HEC A 81 64.187 7.741 3.448 1.00 0.00 C HETATM 1261 C2D HEC A 81 63.681 8.743 2.539 1.00 0.00 C HETATM 1262 C3D HEC A 81 63.970 8.313 1.295 1.00 0.00 C HETATM 1263 C4D HEC A 81 64.601 7.025 1.441 1.00 0.00 C HETATM 1264 CMD HEC A 81 62.954 10.024 2.913 1.00 0.00 C HETATM 1265 CAD HEC A 81 63.745 9.067 -0.004 1.00 0.00 C HETATM 1266 CBD HEC A 81 64.762 10.202 -0.151 1.00 0.00 C HETATM 1267 CGD HEC A 81 64.465 10.996 -1.424 1.00 0.00 C HETATM 1268 O1D HEC A 81 63.582 11.837 -1.380 1.00 0.00 O HETATM 1269 O2D HEC A 81 65.123 10.749 -2.420 1.00 0.00 O HETATM 0 HMD3 HEC A 81 62.043 9.779 3.459 1.00 0.00 H new HETATM 0 HMD2 HEC A 81 63.599 10.639 3.541 1.00 0.00 H new HETATM 0 HMD1 HEC A 81 62.697 10.574 2.008 1.00 0.00 H new HETATM 0 HMC3 HEC A 81 65.966 5.171 9.399 1.00 0.00 H new HETATM 0 HMC2 HEC A 81 67.405 6.129 8.976 1.00 0.00 H new HETATM 0 HMC1 HEC A 81 65.949 6.939 9.601 1.00 0.00 H new HETATM 0 HMB3 HEC A 81 67.013 -0.635 3.773 1.00 0.00 H new HETATM 0 HMB2 HEC A 81 68.609 0.042 3.373 1.00 0.00 H new HETATM 0 HMB1 HEC A 81 68.262 -0.499 5.033 1.00 0.00 H new HETATM 0 HMA3 HEC A 81 65.209 1.244 -1.310 1.00 0.00 H new HETATM 0 HMA2 HEC A 81 66.927 1.638 -1.554 1.00 0.00 H new HETATM 0 HMA1 HEC A 81 66.419 0.733 -0.109 1.00 0.00 H new HETATM 0 HBD2 HEC A 81 64.717 10.859 0.718 1.00 0.00 H new HETATM 0 HBD1 HEC A 81 65.772 9.795 -0.191 1.00 0.00 H new HETATM 0 HBC3 HEC A 81 65.840 8.411 9.508 1.00 0.00 H new HETATM 0 HBC2 HEC A 81 66.200 9.554 8.192 1.00 0.00 H new HETATM 0 HBC1 HEC A 81 64.903 9.917 9.355 1.00 0.00 H new HETATM 0 HBB3 HEC A 81 69.734 0.512 6.130 1.00 0.00 H new HETATM 0 HBB2 HEC A 81 69.946 2.149 6.796 1.00 0.00 H new HETATM 0 HBB1 HEC A 81 69.810 0.753 7.892 1.00 0.00 H new HETATM 0 HBA2 HEC A 81 66.493 5.736 -3.351 1.00 0.00 H new HETATM 0 HBA1 HEC A 81 67.288 5.450 -1.816 1.00 0.00 H new HETATM 0 HAD2 HEC A 81 63.831 8.382 -0.848 1.00 0.00 H new HETATM 0 HAD1 HEC A 81 62.734 9.473 -0.025 1.00 0.00 H new HETATM 0 HAA2 HEC A 81 65.230 3.421 -2.628 1.00 0.00 H new HETATM 0 HAA1 HEC A 81 64.618 5.012 -2.224 1.00 0.00 H new HETATM 0 HHD HEC A 81 63.702 8.742 5.244 1.00 0.00 H new HETATM 0 HHC HEC A 81 67.103 3.911 7.530 1.00 0.00 H new HETATM 0 HHB HEC A 81 66.755 1.104 1.861 1.00 0.00 H new HETATM 0 HHA HEC A 81 64.779 6.587 -0.616 1.00 0.00 H new