USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 758 hydrogens (0 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 Set 1.1: A 38 TYR OH : rot 30:sc= 0.018 USER MOD Set 1.2: A 44 SER OG : rot -159:sc= 0.0128 USER MOD Set 2.1: A 35 GLN : amide:sc= -3.76 K(o=-3.8,f=-5.6!) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -155:sc= -0.434 (180deg=-1.02) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 34:sc= 0.908 USER MOD Single : A 14 MET CE :methyl -160:sc= -0.105 (180deg=-0.546) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -31:sc= 0.148 USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= 0.263 (180deg=0.0854) USER MOD Single : A 30 ASN : amide:sc= -3.06! C(o=-3.1!,f=-3.1!) USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= 0.136 (180deg=-0.139) USER MOD Single : A 33 THR OG1 : rot 153:sc= 0.11 USER MOD Single : A 39 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.744) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.0366 K(o=0.037,f=-1.1) USER MOD Single : A 43 ASN : amide:sc= -0.422 K(o=-0.42,f=0.73) USER MOD Single : A 45 HIS : no HD1:sc= -0.804 K(o=-0.8,f=-2.4) USER MOD Single : A 47 ASN : amide:sc= 0.015 K(o=0.015,f=-2.2!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 73:sc= 0.383 USER MOD Single : A 63 ASN : amide:sc= -1.84! X(o=-1.8!,f=-2.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -5.11! C(o=-5.1!,f=-5.4!) USER MOD Single : A 67 LYS NZ :NH3+ 142:sc= -0.335 (180deg=-2.07!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0331 X(o=-0.033,f=-0.34) USER MOD Single : A 74 GLN : amide:sc= 0.631 K(o=0.63,f=-0.53) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot -140:sc=-0.000119 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.098 -10.611 1.631 1.00 0.00 N ATOM 2 CA GLY A 1 -11.810 -11.270 1.750 1.00 0.00 C ATOM 3 C GLY A 1 -11.908 -12.612 2.447 1.00 0.00 C ATOM 4 O GLY A 1 -11.882 -12.685 3.676 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.079 -9.954 0.825 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.840 -11.324 1.479 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.299 -10.082 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.384 -11.410 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.126 -10.626 2.302 1.00 0.00 H new ATOM 8 N SER A 2 -12.023 -13.678 1.661 1.00 0.00 N ATOM 9 CA SER A 2 -12.131 -15.025 2.210 1.00 0.00 C ATOM 10 C SER A 2 -10.767 -15.537 2.665 1.00 0.00 C ATOM 11 O SER A 2 -9.736 -14.929 2.377 1.00 0.00 O ATOM 12 CB SER A 2 -12.725 -15.976 1.170 1.00 0.00 C ATOM 13 OG SER A 2 -13.932 -15.459 0.636 1.00 0.00 O ATOM 0 H SER A 2 -12.044 -13.635 0.642 1.00 0.00 H new ATOM 0 HA SER A 2 -12.792 -14.986 3.076 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.007 -16.135 0.366 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.913 -16.948 1.627 1.00 0.00 H new ATOM 0 HG SER A 2 -14.291 -16.085 -0.028 1.00 0.00 H new ATOM 19 N SER A 3 -10.771 -16.659 3.377 1.00 0.00 N ATOM 20 CA SER A 3 -9.536 -17.252 3.875 1.00 0.00 C ATOM 21 C SER A 3 -9.005 -18.300 2.902 1.00 0.00 C ATOM 22 O SER A 3 -9.768 -19.076 2.330 1.00 0.00 O ATOM 23 CB SER A 3 -9.768 -17.887 5.248 1.00 0.00 C ATOM 24 OG SER A 3 -8.540 -18.240 5.861 1.00 0.00 O ATOM 0 H SER A 3 -11.616 -17.176 3.622 1.00 0.00 H new ATOM 0 HA SER A 3 -8.794 -16.459 3.969 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.310 -17.190 5.887 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.393 -18.774 5.141 1.00 0.00 H new ATOM 0 HG SER A 3 -8.716 -18.642 6.737 1.00 0.00 H new ATOM 30 N GLY A 4 -7.688 -18.314 2.718 1.00 0.00 N ATOM 31 CA GLY A 4 -7.075 -19.268 1.812 1.00 0.00 C ATOM 32 C GLY A 4 -5.723 -19.746 2.302 1.00 0.00 C ATOM 33 O GLY A 4 -5.639 -20.531 3.247 1.00 0.00 O ATOM 0 H GLY A 4 -7.035 -17.682 3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.737 -20.125 1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.961 -18.810 0.830 1.00 0.00 H new ATOM 37 N SER A 5 -4.661 -19.273 1.658 1.00 0.00 N ATOM 38 CA SER A 5 -3.305 -19.661 2.030 1.00 0.00 C ATOM 39 C SER A 5 -2.853 -18.919 3.284 1.00 0.00 C ATOM 40 O SER A 5 -3.482 -17.950 3.706 1.00 0.00 O ATOM 41 CB SER A 5 -2.337 -19.379 0.879 1.00 0.00 C ATOM 42 OG SER A 5 -2.259 -17.991 0.607 1.00 0.00 O ATOM 0 H SER A 5 -4.713 -18.620 0.876 1.00 0.00 H new ATOM 0 HA SER A 5 -3.304 -20.730 2.241 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.347 -19.760 1.131 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.665 -19.910 -0.015 1.00 0.00 H new ATOM 0 HG SER A 5 -1.633 -17.837 -0.131 1.00 0.00 H new ATOM 48 N SER A 6 -1.756 -19.383 3.874 1.00 0.00 N ATOM 49 CA SER A 6 -1.219 -18.767 5.082 1.00 0.00 C ATOM 50 C SER A 6 0.214 -18.293 4.860 1.00 0.00 C ATOM 51 O SER A 6 1.129 -19.101 4.703 1.00 0.00 O ATOM 52 CB SER A 6 -1.267 -19.755 6.249 1.00 0.00 C ATOM 53 OG SER A 6 -0.399 -20.852 6.023 1.00 0.00 O ATOM 0 H SER A 6 -1.222 -20.183 3.535 1.00 0.00 H new ATOM 0 HA SER A 6 -1.836 -17.901 5.323 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.985 -19.247 7.171 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.287 -20.116 6.383 1.00 0.00 H new ATOM 0 HG SER A 6 0.390 -20.548 5.528 1.00 0.00 H new ATOM 59 N GLY A 7 0.401 -16.977 4.849 1.00 0.00 N ATOM 60 CA GLY A 7 1.724 -16.417 4.645 1.00 0.00 C ATOM 61 C GLY A 7 2.289 -16.747 3.278 1.00 0.00 C ATOM 62 O GLY A 7 2.084 -17.845 2.761 1.00 0.00 O ATOM 0 H GLY A 7 -0.340 -16.288 4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.679 -15.334 4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.398 -16.795 5.414 1.00 0.00 H new ATOM 66 N LYS A 8 3.002 -15.793 2.689 1.00 0.00 N ATOM 67 CA LYS A 8 3.598 -15.986 1.372 1.00 0.00 C ATOM 68 C LYS A 8 4.913 -15.221 1.253 1.00 0.00 C ATOM 69 O LYS A 8 4.933 -13.992 1.307 1.00 0.00 O ATOM 70 CB LYS A 8 2.630 -15.529 0.279 1.00 0.00 C ATOM 71 CG LYS A 8 2.873 -16.193 -1.065 1.00 0.00 C ATOM 72 CD LYS A 8 1.687 -16.015 -1.999 1.00 0.00 C ATOM 73 CE LYS A 8 0.608 -17.054 -1.734 1.00 0.00 C ATOM 74 NZ LYS A 8 -0.691 -16.674 -2.354 1.00 0.00 N ATOM 0 H LYS A 8 3.181 -14.878 3.103 1.00 0.00 H new ATOM 0 HA LYS A 8 3.803 -17.049 1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.609 -15.738 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.712 -14.449 0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.766 -15.769 -1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.064 -17.256 -0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.270 -15.016 -1.873 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.022 -16.093 -3.033 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.929 -18.019 -2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.476 -17.174 -0.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.400 -17.407 -2.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.010 -15.765 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.571 -16.584 -3.383 1.00 0.00 H new ATOM 88 N ALA A 9 6.007 -15.957 1.089 1.00 0.00 N ATOM 89 CA ALA A 9 7.325 -15.347 0.959 1.00 0.00 C ATOM 90 C ALA A 9 7.254 -14.053 0.155 1.00 0.00 C ATOM 91 O ALA A 9 8.040 -13.130 0.375 1.00 0.00 O ATOM 92 CB ALA A 9 8.295 -16.322 0.308 1.00 0.00 C ATOM 0 H ALA A 9 6.007 -16.976 1.043 1.00 0.00 H new ATOM 0 HA ALA A 9 7.686 -15.104 1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.275 -15.854 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.377 -17.219 0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.929 -16.593 -0.682 1.00 0.00 H new ATOM 98 N PHE A 10 6.308 -13.991 -0.776 1.00 0.00 N ATOM 99 CA PHE A 10 6.136 -12.810 -1.614 1.00 0.00 C ATOM 100 C PHE A 10 5.506 -11.668 -0.821 1.00 0.00 C ATOM 101 O PHE A 10 5.999 -10.540 -0.837 1.00 0.00 O ATOM 102 CB PHE A 10 5.268 -13.143 -2.829 1.00 0.00 C ATOM 103 CG PHE A 10 5.234 -12.050 -3.859 1.00 0.00 C ATOM 104 CD1 PHE A 10 4.359 -10.984 -3.729 1.00 0.00 C ATOM 105 CD2 PHE A 10 6.078 -12.090 -4.958 1.00 0.00 C ATOM 106 CE1 PHE A 10 4.326 -9.976 -4.675 1.00 0.00 C ATOM 107 CE2 PHE A 10 6.050 -11.085 -5.906 1.00 0.00 C ATOM 108 CZ PHE A 10 5.172 -10.028 -5.766 1.00 0.00 C ATOM 0 H PHE A 10 5.649 -14.745 -0.969 1.00 0.00 H new ATOM 0 HA PHE A 10 7.120 -12.491 -1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.641 -14.057 -3.292 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.251 -13.347 -2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.695 -10.940 -2.879 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.765 -12.915 -5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.640 -9.150 -4.561 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.715 -11.126 -6.756 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.147 -9.244 -6.508 1.00 0.00 H new ATOM 118 N LEU A 11 4.413 -11.970 -0.130 1.00 0.00 N ATOM 119 CA LEU A 11 3.713 -10.970 0.669 1.00 0.00 C ATOM 120 C LEU A 11 4.507 -10.624 1.925 1.00 0.00 C ATOM 121 O LEU A 11 4.784 -9.455 2.193 1.00 0.00 O ATOM 122 CB LEU A 11 2.323 -11.478 1.055 1.00 0.00 C ATOM 123 CG LEU A 11 1.273 -11.468 -0.057 1.00 0.00 C ATOM 124 CD1 LEU A 11 0.002 -12.167 0.403 1.00 0.00 C ATOM 125 CD2 LEU A 11 0.971 -10.042 -0.494 1.00 0.00 C ATOM 0 H LEU A 11 3.992 -12.899 -0.107 1.00 0.00 H new ATOM 0 HA LEU A 11 3.609 -10.068 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.421 -12.498 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.953 -10.872 1.882 1.00 0.00 H new ATOM 0 HG LEU A 11 1.673 -12.011 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.734 -12.150 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.230 -13.200 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.401 -11.652 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.222 -10.055 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.592 -9.474 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.883 -9.574 -0.865 1.00 0.00 H new ATOM 137 N GLU A 12 4.870 -11.648 2.691 1.00 0.00 N ATOM 138 CA GLU A 12 5.633 -11.451 3.918 1.00 0.00 C ATOM 139 C GLU A 12 6.713 -10.391 3.722 1.00 0.00 C ATOM 140 O GLU A 12 6.996 -9.604 4.626 1.00 0.00 O ATOM 141 CB GLU A 12 6.271 -12.768 4.364 1.00 0.00 C ATOM 142 CG GLU A 12 7.655 -13.003 3.782 1.00 0.00 C ATOM 143 CD GLU A 12 8.339 -14.219 4.375 1.00 0.00 C ATOM 144 OE1 GLU A 12 8.129 -14.492 5.576 1.00 0.00 O ATOM 145 OE2 GLU A 12 9.084 -14.898 3.638 1.00 0.00 O ATOM 0 H GLU A 12 4.648 -12.622 2.484 1.00 0.00 H new ATOM 0 HA GLU A 12 4.947 -11.107 4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.337 -12.780 5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.620 -13.593 4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.575 -13.127 2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.273 -12.122 3.957 1.00 0.00 H new ATOM 152 N ASP A 13 7.313 -10.377 2.537 1.00 0.00 N ATOM 153 CA ASP A 13 8.361 -9.414 2.222 1.00 0.00 C ATOM 154 C ASP A 13 7.766 -8.041 1.923 1.00 0.00 C ATOM 155 O ASP A 13 8.138 -7.045 2.542 1.00 0.00 O ATOM 156 CB ASP A 13 9.185 -9.897 1.028 1.00 0.00 C ATOM 157 CG ASP A 13 9.930 -8.768 0.343 1.00 0.00 C ATOM 158 OD1 ASP A 13 10.649 -8.023 1.040 1.00 0.00 O ATOM 159 OD2 ASP A 13 9.793 -8.630 -0.891 1.00 0.00 O ATOM 0 H ASP A 13 7.091 -11.022 1.779 1.00 0.00 H new ATOM 0 HA ASP A 13 9.012 -9.326 3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.899 -10.649 1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.526 -10.383 0.308 1.00 0.00 H new ATOM 164 N MET A 14 6.841 -7.998 0.970 1.00 0.00 N ATOM 165 CA MET A 14 6.195 -6.747 0.589 1.00 0.00 C ATOM 166 C MET A 14 5.714 -5.987 1.821 1.00 0.00 C ATOM 167 O MET A 14 6.051 -4.818 2.012 1.00 0.00 O ATOM 168 CB MET A 14 5.016 -7.022 -0.347 1.00 0.00 C ATOM 169 CG MET A 14 4.204 -5.781 -0.682 1.00 0.00 C ATOM 170 SD MET A 14 3.074 -5.312 0.642 1.00 0.00 S ATOM 171 CE MET A 14 1.875 -6.640 0.551 1.00 0.00 C ATOM 0 H MET A 14 6.522 -8.814 0.448 1.00 0.00 H new ATOM 0 HA MET A 14 6.928 -6.132 0.067 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.391 -7.461 -1.271 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.361 -7.761 0.114 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.882 -4.952 -0.886 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.635 -5.959 -1.594 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.950 -6.329 1.035 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.675 -6.879 -0.494 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.270 -7.522 1.056 1.00 0.00 H new ATOM 181 N LYS A 15 4.925 -6.657 2.654 1.00 0.00 N ATOM 182 CA LYS A 15 4.399 -6.045 3.868 1.00 0.00 C ATOM 183 C LYS A 15 5.464 -5.198 4.557 1.00 0.00 C ATOM 184 O LYS A 15 5.339 -3.977 4.647 1.00 0.00 O ATOM 185 CB LYS A 15 3.890 -7.123 4.828 1.00 0.00 C ATOM 186 CG LYS A 15 2.521 -7.669 4.459 1.00 0.00 C ATOM 187 CD LYS A 15 2.360 -9.114 4.900 1.00 0.00 C ATOM 188 CE LYS A 15 2.242 -9.226 6.412 1.00 0.00 C ATOM 189 NZ LYS A 15 2.549 -10.601 6.892 1.00 0.00 N ATOM 0 H LYS A 15 4.636 -7.625 2.510 1.00 0.00 H new ATOM 0 HA LYS A 15 3.570 -5.396 3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.606 -7.945 4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.847 -6.710 5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.747 -7.058 4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.379 -7.599 3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.473 -9.541 4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.214 -9.698 4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.923 -8.517 6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.233 -8.951 6.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.457 -10.636 7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.884 -11.275 6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.521 -10.854 6.622 1.00 0.00 H new ATOM 203 N LYS A 16 6.513 -5.855 5.041 1.00 0.00 N ATOM 204 CA LYS A 16 7.603 -5.163 5.719 1.00 0.00 C ATOM 205 C LYS A 16 8.044 -3.935 4.929 1.00 0.00 C ATOM 206 O LYS A 16 7.829 -2.800 5.356 1.00 0.00 O ATOM 207 CB LYS A 16 8.790 -6.108 5.917 1.00 0.00 C ATOM 208 CG LYS A 16 9.697 -5.714 7.070 1.00 0.00 C ATOM 209 CD LYS A 16 11.102 -6.261 6.886 1.00 0.00 C ATOM 210 CE LYS A 16 11.918 -6.141 8.165 1.00 0.00 C ATOM 211 NZ LYS A 16 12.641 -4.842 8.242 1.00 0.00 N ATOM 0 H LYS A 16 6.631 -6.866 4.976 1.00 0.00 H new ATOM 0 HA LYS A 16 7.241 -4.835 6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.415 -7.117 6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.376 -6.138 4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.736 -4.628 7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.280 -6.087 8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.050 -7.307 6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.602 -5.721 6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.259 -6.241 9.027 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.636 -6.960 8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.185 -4.799 9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.289 -4.757 7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.955 -4.061 8.219 1.00 0.00 H new ATOM 225 N TYR A 17 8.659 -4.169 3.775 1.00 0.00 N ATOM 226 CA TYR A 17 9.130 -3.082 2.926 1.00 0.00 C ATOM 227 C TYR A 17 8.110 -1.948 2.875 1.00 0.00 C ATOM 228 O TYR A 17 8.355 -0.855 3.384 1.00 0.00 O ATOM 229 CB TYR A 17 9.409 -3.595 1.512 1.00 0.00 C ATOM 230 CG TYR A 17 9.529 -2.495 0.481 1.00 0.00 C ATOM 231 CD1 TYR A 17 10.740 -1.848 0.267 1.00 0.00 C ATOM 232 CD2 TYR A 17 8.433 -2.103 -0.277 1.00 0.00 C ATOM 233 CE1 TYR A 17 10.855 -0.842 -0.674 1.00 0.00 C ATOM 234 CE2 TYR A 17 8.539 -1.100 -1.220 1.00 0.00 C ATOM 235 CZ TYR A 17 9.752 -0.472 -1.415 1.00 0.00 C ATOM 236 OH TYR A 17 9.861 0.529 -2.352 1.00 0.00 O ATOM 0 H TYR A 17 8.843 -5.102 3.406 1.00 0.00 H new ATOM 0 HA TYR A 17 10.055 -2.696 3.355 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.332 -4.175 1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.609 -4.273 1.216 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.605 -2.136 0.845 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.482 -2.591 -0.126 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.803 -0.348 -0.828 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.677 -0.809 -1.802 1.00 0.00 H new ATOM 0 HH TYR A 17 8.993 0.666 -2.787 1.00 0.00 H new ATOM 246 N ALA A 18 6.965 -2.219 2.258 1.00 0.00 N ATOM 247 CA ALA A 18 5.905 -1.224 2.143 1.00 0.00 C ATOM 248 C ALA A 18 5.758 -0.427 3.435 1.00 0.00 C ATOM 249 O ALA A 18 5.668 0.800 3.410 1.00 0.00 O ATOM 250 CB ALA A 18 4.588 -1.895 1.781 1.00 0.00 C ATOM 0 H ALA A 18 6.747 -3.119 1.830 1.00 0.00 H new ATOM 0 HA ALA A 18 6.177 -0.530 1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.806 -1.140 1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.694 -2.414 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.320 -2.612 2.557 1.00 0.00 H new ATOM 256 N GLU A 19 5.733 -1.133 4.561 1.00 0.00 N ATOM 257 CA GLU A 19 5.595 -0.490 5.862 1.00 0.00 C ATOM 258 C GLU A 19 6.782 0.427 6.145 1.00 0.00 C ATOM 259 O GLU A 19 6.651 1.651 6.136 1.00 0.00 O ATOM 260 CB GLU A 19 5.475 -1.543 6.966 1.00 0.00 C ATOM 261 CG GLU A 19 5.209 -0.955 8.341 1.00 0.00 C ATOM 262 CD GLU A 19 5.199 -2.006 9.434 1.00 0.00 C ATOM 263 OE1 GLU A 19 4.257 -2.825 9.461 1.00 0.00 O ATOM 264 OE2 GLU A 19 6.134 -2.010 10.261 1.00 0.00 O ATOM 0 H GLU A 19 5.806 -2.150 4.598 1.00 0.00 H new ATOM 0 HA GLU A 19 4.688 0.114 5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.670 -2.232 6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.395 -2.127 7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.971 -0.209 8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.250 -0.438 8.331 1.00 0.00 H new ATOM 271 N THR A 20 7.940 -0.175 6.396 1.00 0.00 N ATOM 272 CA THR A 20 9.150 0.586 6.683 1.00 0.00 C ATOM 273 C THR A 20 9.377 1.673 5.639 1.00 0.00 C ATOM 274 O THR A 20 10.136 2.615 5.864 1.00 0.00 O ATOM 275 CB THR A 20 10.389 -0.328 6.734 1.00 0.00 C ATOM 276 OG1 THR A 20 11.513 0.399 7.242 1.00 0.00 O ATOM 277 CG2 THR A 20 10.714 -0.876 5.353 1.00 0.00 C ATOM 0 H THR A 20 8.066 -1.187 6.406 1.00 0.00 H new ATOM 0 HA THR A 20 9.008 1.049 7.660 1.00 0.00 H new ATOM 0 HB THR A 20 10.169 -1.165 7.397 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.437 1.341 6.984 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.592 -1.518 5.414 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.867 -1.453 4.982 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.916 -0.049 4.672 1.00 0.00 H new ATOM 285 N PHE A 21 8.713 1.536 4.496 1.00 0.00 N ATOM 286 CA PHE A 21 8.843 2.508 3.416 1.00 0.00 C ATOM 287 C PHE A 21 7.758 3.576 3.512 1.00 0.00 C ATOM 288 O PHE A 21 7.961 4.722 3.107 1.00 0.00 O ATOM 289 CB PHE A 21 8.764 1.806 2.058 1.00 0.00 C ATOM 290 CG PHE A 21 8.381 2.722 0.931 1.00 0.00 C ATOM 291 CD1 PHE A 21 9.233 3.738 0.526 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.170 2.568 0.276 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.882 4.582 -0.510 1.00 0.00 C ATOM 294 CE2 PHE A 21 6.815 3.409 -0.761 1.00 0.00 C ATOM 295 CZ PHE A 21 7.672 4.417 -1.155 1.00 0.00 C ATOM 0 H PHE A 21 8.080 0.762 4.294 1.00 0.00 H new ATOM 0 HA PHE A 21 9.815 2.992 3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.730 1.353 1.835 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.038 0.995 2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.181 3.871 1.026 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.495 1.781 0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.554 5.371 -0.815 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.868 3.278 -1.263 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.397 5.075 -1.966 1.00 0.00 H new ATOM 305 N LEU A 22 6.605 3.193 4.050 1.00 0.00 N ATOM 306 CA LEU A 22 5.486 4.118 4.200 1.00 0.00 C ATOM 307 C LEU A 22 5.399 4.640 5.631 1.00 0.00 C ATOM 308 O LEU A 22 4.480 5.382 5.975 1.00 0.00 O ATOM 309 CB LEU A 22 4.176 3.429 3.815 1.00 0.00 C ATOM 310 CG LEU A 22 4.059 2.973 2.360 1.00 0.00 C ATOM 311 CD1 LEU A 22 2.923 1.974 2.204 1.00 0.00 C ATOM 312 CD2 LEU A 22 3.851 4.169 1.442 1.00 0.00 C ATOM 0 H LEU A 22 6.420 2.249 4.389 1.00 0.00 H new ATOM 0 HA LEU A 22 5.654 4.965 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.043 2.560 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.354 4.112 4.028 1.00 0.00 H new ATOM 0 HG LEU A 22 4.989 2.481 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.855 1.661 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.114 1.104 2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.985 2.440 2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.770 3.826 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.936 4.690 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.698 4.849 1.533 1.00 0.00 H new ATOM 324 N GLU A 23 6.362 4.247 6.458 1.00 0.00 N ATOM 325 CA GLU A 23 6.394 4.677 7.851 1.00 0.00 C ATOM 326 C GLU A 23 6.242 6.192 7.956 1.00 0.00 C ATOM 327 O GLU A 23 5.339 6.706 8.617 1.00 0.00 O ATOM 328 CB GLU A 23 7.701 4.238 8.514 1.00 0.00 C ATOM 329 CG GLU A 23 7.605 2.895 9.219 1.00 0.00 C ATOM 330 CD GLU A 23 8.840 2.577 10.039 1.00 0.00 C ATOM 331 OE1 GLU A 23 9.954 2.620 9.476 1.00 0.00 O ATOM 332 OE2 GLU A 23 8.692 2.284 11.244 1.00 0.00 O ATOM 0 H GLU A 23 7.130 3.632 6.188 1.00 0.00 H new ATOM 0 HA GLU A 23 5.557 4.208 8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.483 4.186 7.757 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.005 4.996 9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.731 2.892 9.870 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.453 2.110 8.478 1.00 0.00 H new ATOM 339 N PRO A 24 7.146 6.925 7.289 1.00 0.00 N ATOM 340 CA PRO A 24 7.134 8.391 7.292 1.00 0.00 C ATOM 341 C PRO A 24 5.953 8.962 6.515 1.00 0.00 C ATOM 342 O PRO A 24 5.720 10.171 6.521 1.00 0.00 O ATOM 343 CB PRO A 24 8.452 8.757 6.606 1.00 0.00 C ATOM 344 CG PRO A 24 8.772 7.583 5.748 1.00 0.00 C ATOM 345 CD PRO A 24 8.249 6.379 6.481 1.00 0.00 C ATOM 0 HA PRO A 24 7.034 8.796 8.299 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.350 9.665 6.012 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.240 8.940 7.336 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.304 7.677 4.768 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.846 7.502 5.582 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.900 5.609 5.792 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.017 5.923 7.105 1.00 0.00 H new ATOM 353 N TRP A 25 5.210 8.086 5.849 1.00 0.00 N ATOM 354 CA TRP A 25 4.052 8.504 5.067 1.00 0.00 C ATOM 355 C TRP A 25 2.754 8.136 5.777 1.00 0.00 C ATOM 356 O TRP A 25 1.705 8.727 5.520 1.00 0.00 O ATOM 357 CB TRP A 25 4.088 7.862 3.679 1.00 0.00 C ATOM 358 CG TRP A 25 4.830 8.679 2.666 1.00 0.00 C ATOM 359 CD1 TRP A 25 4.344 9.736 1.950 1.00 0.00 C ATOM 360 CD2 TRP A 25 6.190 8.505 2.254 1.00 0.00 C ATOM 361 NE1 TRP A 25 5.320 10.229 1.118 1.00 0.00 N ATOM 362 CE2 TRP A 25 6.462 9.492 1.287 1.00 0.00 C ATOM 363 CE3 TRP A 25 7.205 7.613 2.610 1.00 0.00 C ATOM 364 CZ2 TRP A 25 7.706 9.609 0.672 1.00 0.00 C ATOM 365 CZ3 TRP A 25 8.439 7.730 1.999 1.00 0.00 C ATOM 366 CH2 TRP A 25 8.682 8.722 1.039 1.00 0.00 C ATOM 0 H TRP A 25 5.388 7.082 5.835 1.00 0.00 H new ATOM 0 HA TRP A 25 4.091 9.588 4.959 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.553 6.879 3.753 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.067 7.706 3.332 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.340 10.127 2.027 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.212 11.016 0.478 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.028 6.846 3.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.894 10.373 -0.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.230 7.045 2.266 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.658 8.788 0.580 1.00 0.00 H new ATOM 377 N PHE A 26 2.831 7.157 6.672 1.00 0.00 N ATOM 378 CA PHE A 26 1.661 6.710 7.419 1.00 0.00 C ATOM 379 C PHE A 26 1.955 6.669 8.916 1.00 0.00 C ATOM 380 O PHE A 26 1.130 7.077 9.734 1.00 0.00 O ATOM 381 CB PHE A 26 1.220 5.326 6.937 1.00 0.00 C ATOM 382 CG PHE A 26 0.522 5.350 5.607 1.00 0.00 C ATOM 383 CD1 PHE A 26 -0.454 6.296 5.338 1.00 0.00 C ATOM 384 CD2 PHE A 26 0.843 4.426 4.625 1.00 0.00 C ATOM 385 CE1 PHE A 26 -1.097 6.321 4.115 1.00 0.00 C ATOM 386 CE2 PHE A 26 0.203 4.446 3.400 1.00 0.00 C ATOM 387 CZ PHE A 26 -0.769 5.394 3.145 1.00 0.00 C ATOM 0 H PHE A 26 3.691 6.658 6.898 1.00 0.00 H new ATOM 0 HA PHE A 26 0.855 7.422 7.244 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.094 4.678 6.868 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.555 4.886 7.680 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.715 7.023 6.093 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.602 3.682 4.819 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.855 7.065 3.918 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.463 3.721 2.643 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.271 5.410 2.189 1.00 0.00 H new ATOM 397 N LYS A 27 3.137 6.173 9.268 1.00 0.00 N ATOM 398 CA LYS A 27 3.542 6.078 10.665 1.00 0.00 C ATOM 399 C LYS A 27 3.958 7.443 11.205 1.00 0.00 C ATOM 400 O LYS A 27 4.694 8.181 10.551 1.00 0.00 O ATOM 401 CB LYS A 27 4.696 5.085 10.816 1.00 0.00 C ATOM 402 CG LYS A 27 4.873 4.568 12.234 1.00 0.00 C ATOM 403 CD LYS A 27 6.119 3.709 12.363 1.00 0.00 C ATOM 404 CE LYS A 27 6.634 3.686 13.794 1.00 0.00 C ATOM 405 NZ LYS A 27 7.423 2.456 14.080 1.00 0.00 N ATOM 0 H LYS A 27 3.831 5.831 8.604 1.00 0.00 H new ATOM 0 HA LYS A 27 2.688 5.724 11.242 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.527 4.240 10.149 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.621 5.564 10.495 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.937 5.410 12.924 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.997 3.986 12.522 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.897 2.692 12.039 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.896 4.092 11.702 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.254 4.565 13.971 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.792 3.746 14.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.076 2.638 14.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.778 1.681 14.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.967 2.188 13.235 1.00 0.00 H new ATOM 419 N ALA A 28 3.482 7.770 12.402 1.00 0.00 N ATOM 420 CA ALA A 28 3.808 9.044 13.031 1.00 0.00 C ATOM 421 C ALA A 28 5.280 9.391 12.838 1.00 0.00 C ATOM 422 O ALA A 28 6.119 8.525 12.589 1.00 0.00 O ATOM 423 CB ALA A 28 3.462 9.006 14.512 1.00 0.00 C ATOM 0 H ALA A 28 2.870 7.171 12.955 1.00 0.00 H new ATOM 0 HA ALA A 28 3.213 9.821 12.550 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.711 9.964 14.968 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.396 8.813 14.632 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.031 8.214 14.998 1.00 0.00 H new ATOM 429 N PRO A 29 5.603 10.688 12.954 1.00 0.00 N ATOM 430 CA PRO A 29 4.613 11.727 13.249 1.00 0.00 C ATOM 431 C PRO A 29 3.661 11.968 12.083 1.00 0.00 C ATOM 432 O PRO A 29 2.741 12.780 12.178 1.00 0.00 O ATOM 433 CB PRO A 29 5.469 12.970 13.507 1.00 0.00 C ATOM 434 CG PRO A 29 6.730 12.724 12.753 1.00 0.00 C ATOM 435 CD PRO A 29 6.961 11.239 12.806 1.00 0.00 C ATOM 0 HA PRO A 29 3.972 11.453 14.087 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.969 13.874 13.159 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.663 13.103 14.571 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.642 13.069 11.723 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.564 13.265 13.200 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.446 10.875 11.900 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.601 10.961 13.644 1.00 0.00 H new ATOM 443 N ASN A 30 3.887 11.258 10.983 1.00 0.00 N ATOM 444 CA ASN A 30 3.049 11.395 9.798 1.00 0.00 C ATOM 445 C ASN A 30 1.755 10.601 9.952 1.00 0.00 C ATOM 446 O ASN A 30 1.719 9.578 10.637 1.00 0.00 O ATOM 447 CB ASN A 30 3.805 10.923 8.555 1.00 0.00 C ATOM 448 CG ASN A 30 4.726 11.992 7.998 1.00 0.00 C ATOM 449 OD1 ASN A 30 4.440 12.596 6.964 1.00 0.00 O ATOM 450 ND2 ASN A 30 5.838 12.230 8.682 1.00 0.00 N ATOM 0 H ASN A 30 4.644 10.581 10.888 1.00 0.00 H new ATOM 0 HA ASN A 30 2.796 12.449 9.683 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.389 10.037 8.803 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.089 10.628 7.788 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.496 12.938 8.356 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.035 11.705 9.534 1.00 0.00 H new ATOM 457 N LYS A 31 0.695 11.078 9.309 1.00 0.00 N ATOM 458 CA LYS A 31 -0.601 10.413 9.372 1.00 0.00 C ATOM 459 C LYS A 31 -1.598 11.073 8.424 1.00 0.00 C ATOM 460 O LYS A 31 -1.363 12.176 7.931 1.00 0.00 O ATOM 461 CB LYS A 31 -1.145 10.443 10.802 1.00 0.00 C ATOM 462 CG LYS A 31 -1.026 11.802 11.470 1.00 0.00 C ATOM 463 CD LYS A 31 -2.082 11.989 12.546 1.00 0.00 C ATOM 464 CE LYS A 31 -3.391 12.496 11.961 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.351 12.907 13.022 1.00 0.00 N ATOM 0 H LYS A 31 0.708 11.923 8.738 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.464 9.376 9.064 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.193 10.144 10.789 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.611 9.705 11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.034 11.906 11.910 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.126 12.587 10.720 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.254 11.042 13.057 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.720 12.694 13.294 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.191 13.343 11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.841 11.716 11.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.036 13.583 12.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.855 12.070 13.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.833 13.356 13.804 1.00 0.00 H new ATOM 479 N GLY A 32 -2.713 10.392 8.176 1.00 0.00 N ATOM 480 CA GLY A 32 -3.728 10.929 7.290 1.00 0.00 C ATOM 481 C GLY A 32 -4.442 9.848 6.502 1.00 0.00 C ATOM 482 O GLY A 32 -4.483 8.690 6.919 1.00 0.00 O ATOM 0 H GLY A 32 -2.931 9.478 8.573 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.457 11.489 7.875 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.266 11.633 6.598 1.00 0.00 H new ATOM 486 N THR A 33 -5.008 10.225 5.360 1.00 0.00 N ATOM 487 CA THR A 33 -5.726 9.281 4.514 1.00 0.00 C ATOM 488 C THR A 33 -4.906 8.912 3.283 1.00 0.00 C ATOM 489 O THR A 33 -3.868 9.516 3.013 1.00 0.00 O ATOM 490 CB THR A 33 -7.083 9.851 4.061 1.00 0.00 C ATOM 491 OG1 THR A 33 -6.921 11.199 3.608 1.00 0.00 O ATOM 492 CG2 THR A 33 -8.094 9.810 5.198 1.00 0.00 C ATOM 0 H THR A 33 -4.983 11.179 5.000 1.00 0.00 H new ATOM 0 HA THR A 33 -5.898 8.387 5.114 1.00 0.00 H new ATOM 0 HB THR A 33 -7.456 9.236 3.242 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.621 11.411 2.956 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.045 10.218 4.854 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.237 8.779 5.521 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.725 10.404 6.034 1.00 0.00 H new ATOM 500 N PHE A 34 -5.379 7.918 2.539 1.00 0.00 N ATOM 501 CA PHE A 34 -4.689 7.468 1.335 1.00 0.00 C ATOM 502 C PHE A 34 -5.593 6.575 0.491 1.00 0.00 C ATOM 503 O PHE A 34 -6.648 6.136 0.947 1.00 0.00 O ATOM 504 CB PHE A 34 -3.411 6.714 1.706 1.00 0.00 C ATOM 505 CG PHE A 34 -3.637 5.595 2.683 1.00 0.00 C ATOM 506 CD1 PHE A 34 -3.967 5.865 4.001 1.00 0.00 C ATOM 507 CD2 PHE A 34 -3.519 4.274 2.282 1.00 0.00 C ATOM 508 CE1 PHE A 34 -4.176 4.838 4.902 1.00 0.00 C ATOM 509 CE2 PHE A 34 -3.727 3.243 3.178 1.00 0.00 C ATOM 510 CZ PHE A 34 -4.055 3.525 4.490 1.00 0.00 C ATOM 0 H PHE A 34 -6.237 7.408 2.748 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.426 8.347 0.747 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.962 6.309 0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.694 7.417 2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.062 6.890 4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.262 4.048 1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.434 5.062 5.927 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.633 2.217 2.853 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.217 2.721 5.192 1.00 0.00 H new ATOM 520 N GLN A 35 -5.171 6.313 -0.742 1.00 0.00 N ATOM 521 CA GLN A 35 -5.944 5.473 -1.650 1.00 0.00 C ATOM 522 C GLN A 35 -5.037 4.495 -2.391 1.00 0.00 C ATOM 523 O GLN A 35 -4.203 4.900 -3.201 1.00 0.00 O ATOM 524 CB GLN A 35 -6.707 6.339 -2.653 1.00 0.00 C ATOM 525 CG GLN A 35 -5.805 7.193 -3.530 1.00 0.00 C ATOM 526 CD GLN A 35 -6.579 8.203 -4.355 1.00 0.00 C ATOM 527 OE1 GLN A 35 -6.310 9.403 -4.300 1.00 0.00 O ATOM 528 NE2 GLN A 35 -7.547 7.721 -5.125 1.00 0.00 N ATOM 0 H GLN A 35 -4.300 6.669 -1.135 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.658 4.901 -1.057 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.314 5.694 -3.289 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.394 6.989 -2.111 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.085 7.718 -2.902 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.234 6.546 -4.196 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.736 6.719 -5.140 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.102 8.353 -5.702 1.00 0.00 H new ATOM 537 N ILE A 36 -5.206 3.209 -2.106 1.00 0.00 N ATOM 538 CA ILE A 36 -4.404 2.174 -2.746 1.00 0.00 C ATOM 539 C ILE A 36 -4.993 1.778 -4.096 1.00 0.00 C ATOM 540 O ILE A 36 -6.211 1.733 -4.265 1.00 0.00 O ATOM 541 CB ILE A 36 -4.292 0.919 -1.860 1.00 0.00 C ATOM 542 CG1 ILE A 36 -3.612 1.264 -0.533 1.00 0.00 C ATOM 543 CG2 ILE A 36 -3.526 -0.176 -2.586 1.00 0.00 C ATOM 544 CD1 ILE A 36 -3.685 0.153 0.491 1.00 0.00 C ATOM 0 H ILE A 36 -5.891 2.859 -1.436 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.409 2.594 -2.895 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.296 0.552 -1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.566 1.504 -0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.075 2.160 -0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.456 -1.056 -1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.049 -0.437 -3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.524 0.179 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.183 0.468 1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.729 -0.073 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.196 -0.738 0.097 1.00 0.00 H new ATOM 556 N VAL A 37 -4.118 1.489 -5.055 1.00 0.00 N ATOM 557 CA VAL A 37 -4.551 1.093 -6.390 1.00 0.00 C ATOM 558 C VAL A 37 -3.698 -0.051 -6.927 1.00 0.00 C ATOM 559 O VAL A 37 -2.489 0.094 -7.106 1.00 0.00 O ATOM 560 CB VAL A 37 -4.484 2.276 -7.375 1.00 0.00 C ATOM 561 CG1 VAL A 37 -4.879 1.828 -8.774 1.00 0.00 C ATOM 562 CG2 VAL A 37 -5.372 3.415 -6.900 1.00 0.00 C ATOM 0 H VAL A 37 -3.106 1.522 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.585 0.761 -6.303 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.457 2.639 -7.412 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.826 2.676 -9.456 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.198 1.047 -9.112 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.897 1.439 -8.758 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.313 4.242 -7.607 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.403 3.069 -6.833 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.038 3.752 -5.919 1.00 0.00 H new ATOM 572 N TYR A 38 -4.337 -1.187 -7.184 1.00 0.00 N ATOM 573 CA TYR A 38 -3.637 -2.357 -7.700 1.00 0.00 C ATOM 574 C TYR A 38 -3.540 -2.308 -9.221 1.00 0.00 C ATOM 575 O TYR A 38 -4.510 -2.585 -9.927 1.00 0.00 O ATOM 576 CB TYR A 38 -4.351 -3.638 -7.264 1.00 0.00 C ATOM 577 CG TYR A 38 -3.826 -4.884 -7.940 1.00 0.00 C ATOM 578 CD1 TYR A 38 -2.577 -5.400 -7.616 1.00 0.00 C ATOM 579 CD2 TYR A 38 -4.579 -5.546 -8.902 1.00 0.00 C ATOM 580 CE1 TYR A 38 -2.093 -6.538 -8.231 1.00 0.00 C ATOM 581 CE2 TYR A 38 -4.103 -6.685 -9.522 1.00 0.00 C ATOM 582 CZ TYR A 38 -2.860 -7.177 -9.183 1.00 0.00 C ATOM 583 OH TYR A 38 -2.381 -8.312 -9.798 1.00 0.00 O ATOM 0 H TYR A 38 -5.338 -1.322 -7.043 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.627 -2.354 -7.290 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.250 -3.751 -6.185 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.416 -3.541 -7.476 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.974 -4.903 -6.870 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.553 -5.164 -9.170 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.120 -6.925 -7.968 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.701 -7.187 -10.268 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.787 -8.791 -9.183 1.00 0.00 H new ATOM 593 N LYS A 39 -2.362 -1.952 -9.721 1.00 0.00 N ATOM 594 CA LYS A 39 -2.134 -1.867 -11.159 1.00 0.00 C ATOM 595 C LYS A 39 -1.327 -3.063 -11.654 1.00 0.00 C ATOM 596 O LYS A 39 -0.230 -3.330 -11.163 1.00 0.00 O ATOM 597 CB LYS A 39 -1.404 -0.567 -11.505 1.00 0.00 C ATOM 598 CG LYS A 39 -2.305 0.655 -11.505 1.00 0.00 C ATOM 599 CD LYS A 39 -1.503 1.940 -11.380 1.00 0.00 C ATOM 600 CE LYS A 39 -2.336 3.156 -11.752 1.00 0.00 C ATOM 601 NZ LYS A 39 -1.731 4.419 -11.248 1.00 0.00 N ATOM 0 H LYS A 39 -1.549 -1.717 -9.151 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.104 -1.875 -11.656 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.596 -0.412 -10.790 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.944 -0.669 -12.488 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.889 0.678 -12.425 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.014 0.586 -10.680 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.140 2.045 -10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.626 1.887 -12.026 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.437 3.209 -12.836 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.341 3.047 -11.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.467 5.003 -10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.995 4.196 -10.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.308 4.942 -12.041 1.00 0.00 H new ATOM 615 N SER A 40 -1.876 -3.779 -12.630 1.00 0.00 N ATOM 616 CA SER A 40 -1.208 -4.948 -13.189 1.00 0.00 C ATOM 617 C SER A 40 -1.394 -5.008 -14.702 1.00 0.00 C ATOM 618 O SER A 40 -2.399 -4.536 -15.234 1.00 0.00 O ATOM 619 CB SER A 40 -1.749 -6.227 -12.547 1.00 0.00 C ATOM 620 OG SER A 40 -2.947 -6.647 -13.175 1.00 0.00 O ATOM 0 H SER A 40 -2.782 -3.570 -13.050 1.00 0.00 H new ATOM 0 HA SER A 40 -0.143 -4.864 -12.974 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.002 -7.017 -12.618 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.932 -6.056 -11.486 1.00 0.00 H new ATOM 0 HG SER A 40 -3.271 -7.467 -12.747 1.00 0.00 H new ATOM 626 N ARG A 41 -0.418 -5.592 -15.390 1.00 0.00 N ATOM 627 CA ARG A 41 -0.473 -5.713 -16.842 1.00 0.00 C ATOM 628 C ARG A 41 -0.246 -7.158 -17.276 1.00 0.00 C ATOM 629 O ARG A 41 -0.909 -7.654 -18.185 1.00 0.00 O ATOM 630 CB ARG A 41 0.574 -4.804 -17.490 1.00 0.00 C ATOM 631 CG ARG A 41 0.163 -3.342 -17.540 1.00 0.00 C ATOM 632 CD ARG A 41 0.606 -2.595 -16.292 1.00 0.00 C ATOM 633 NE ARG A 41 -0.100 -1.327 -16.132 1.00 0.00 N ATOM 634 CZ ARG A 41 0.150 -0.249 -16.866 1.00 0.00 C ATOM 635 NH1 ARG A 41 1.085 -0.285 -17.806 1.00 0.00 N ATOM 636 NH2 ARG A 41 -0.535 0.869 -16.662 1.00 0.00 N ATOM 0 H ARG A 41 0.420 -5.989 -14.965 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.466 -5.405 -17.170 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.510 -4.891 -16.938 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.768 -5.153 -18.504 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.598 -2.871 -18.421 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.920 -3.271 -17.643 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.433 -3.219 -15.415 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.679 -2.408 -16.343 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.825 -1.266 -15.417 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.614 -1.142 -17.967 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.275 0.544 -18.368 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.255 0.901 -15.940 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.341 1.696 -17.227 1.00 0.00 H new ATOM 650 N ASN A 42 0.696 -7.827 -16.618 1.00 0.00 N ATOM 651 CA ASN A 42 1.011 -9.215 -16.937 1.00 0.00 C ATOM 652 C ASN A 42 0.169 -10.170 -16.096 1.00 0.00 C ATOM 653 O ASN A 42 -0.170 -9.872 -14.952 1.00 0.00 O ATOM 654 CB ASN A 42 2.498 -9.488 -16.705 1.00 0.00 C ATOM 655 CG ASN A 42 2.875 -9.428 -15.237 1.00 0.00 C ATOM 656 OD1 ASN A 42 2.945 -8.351 -14.646 1.00 0.00 O ATOM 657 ND2 ASN A 42 3.121 -10.590 -14.642 1.00 0.00 N ATOM 0 H ASN A 42 1.254 -7.431 -15.862 1.00 0.00 H new ATOM 0 HA ASN A 42 0.778 -9.383 -17.988 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.750 -10.471 -17.102 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.089 -8.759 -17.259 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.380 -10.613 -13.656 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.051 -11.459 -15.171 1.00 0.00 H new ATOM 664 N ASN A 43 -0.162 -11.321 -16.672 1.00 0.00 N ATOM 665 CA ASN A 43 -0.963 -12.321 -15.975 1.00 0.00 C ATOM 666 C ASN A 43 -0.485 -12.497 -14.537 1.00 0.00 C ATOM 667 O ASN A 43 0.692 -12.765 -14.292 1.00 0.00 O ATOM 668 CB ASN A 43 -0.900 -13.660 -16.713 1.00 0.00 C ATOM 669 CG ASN A 43 0.478 -13.942 -17.282 1.00 0.00 C ATOM 670 OD1 ASN A 43 1.487 -13.800 -16.592 1.00 0.00 O ATOM 671 ND2 ASN A 43 0.524 -14.342 -18.548 1.00 0.00 N ATOM 0 H ASN A 43 0.112 -11.584 -17.619 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.996 -11.973 -15.955 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.179 -14.462 -16.030 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.631 -13.661 -17.521 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.422 -14.545 -18.986 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.339 -14.446 -19.082 1.00 0.00 H new ATOM 678 N SER A 44 -1.405 -12.345 -13.590 1.00 0.00 N ATOM 679 CA SER A 44 -1.076 -12.484 -12.176 1.00 0.00 C ATOM 680 C SER A 44 -1.815 -13.668 -11.561 1.00 0.00 C ATOM 681 O SER A 44 -2.909 -14.028 -11.997 1.00 0.00 O ATOM 682 CB SER A 44 -1.429 -11.200 -11.421 1.00 0.00 C ATOM 683 OG SER A 44 -2.832 -11.054 -11.292 1.00 0.00 O ATOM 0 H SER A 44 -2.384 -12.126 -13.776 1.00 0.00 H new ATOM 0 HA SER A 44 -0.004 -12.664 -12.093 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.970 -11.218 -10.433 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.018 -10.339 -11.948 1.00 0.00 H new ATOM 0 HG SER A 44 -3.049 -10.114 -11.121 1.00 0.00 H new ATOM 689 N HIS A 45 -1.208 -14.272 -10.544 1.00 0.00 N ATOM 690 CA HIS A 45 -1.807 -15.417 -9.866 1.00 0.00 C ATOM 691 C HIS A 45 -2.332 -15.020 -8.490 1.00 0.00 C ATOM 692 O HIS A 45 -3.496 -15.256 -8.166 1.00 0.00 O ATOM 693 CB HIS A 45 -0.786 -16.546 -9.730 1.00 0.00 C ATOM 694 CG HIS A 45 0.568 -16.080 -9.292 1.00 0.00 C ATOM 695 ND1 HIS A 45 0.946 -16.002 -7.968 1.00 0.00 N ATOM 696 CD2 HIS A 45 1.638 -15.668 -10.012 1.00 0.00 C ATOM 697 CE1 HIS A 45 2.189 -15.560 -7.893 1.00 0.00 C ATOM 698 NE2 HIS A 45 2.632 -15.350 -9.119 1.00 0.00 N ATOM 0 H HIS A 45 -0.302 -13.988 -10.171 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.646 -15.767 -10.468 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.159 -17.277 -9.013 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -0.693 -17.058 -10.688 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.699 -15.602 -11.088 1.00 0.00 H new ATOM 0 HE1 HIS A 45 2.748 -15.398 -6.983 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.561 -15.007 -9.363 1.00 0.00 H new ATOM 706 N VAL A 46 -1.465 -14.416 -7.683 1.00 0.00 N ATOM 707 CA VAL A 46 -1.842 -13.986 -6.341 1.00 0.00 C ATOM 708 C VAL A 46 -3.047 -13.053 -6.381 1.00 0.00 C ATOM 709 O VAL A 46 -3.060 -12.072 -7.123 1.00 0.00 O ATOM 710 CB VAL A 46 -0.676 -13.271 -5.633 1.00 0.00 C ATOM 711 CG1 VAL A 46 -0.208 -12.075 -6.449 1.00 0.00 C ATOM 712 CG2 VAL A 46 -1.085 -12.844 -4.232 1.00 0.00 C ATOM 0 H VAL A 46 -0.498 -14.213 -7.935 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.101 -14.885 -5.781 1.00 0.00 H new ATOM 0 HB VAL A 46 0.157 -13.969 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.616 -11.582 -5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.128 -12.412 -7.430 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.032 -11.372 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.249 -12.340 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.934 -12.162 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.366 -13.723 -3.651 1.00 0.00 H new ATOM 722 N ASN A 47 -4.057 -13.365 -5.576 1.00 0.00 N ATOM 723 CA ASN A 47 -5.268 -12.555 -5.519 1.00 0.00 C ATOM 724 C ASN A 47 -4.939 -11.111 -5.151 1.00 0.00 C ATOM 725 O ASN A 47 -4.657 -10.804 -3.992 1.00 0.00 O ATOM 726 CB ASN A 47 -6.252 -13.140 -4.504 1.00 0.00 C ATOM 727 CG ASN A 47 -6.270 -14.656 -4.526 1.00 0.00 C ATOM 728 OD1 ASN A 47 -5.895 -15.279 -5.519 1.00 0.00 O ATOM 729 ND2 ASN A 47 -6.710 -15.258 -3.427 1.00 0.00 N ATOM 0 H ASN A 47 -4.061 -14.173 -4.954 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.728 -12.565 -6.507 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -5.986 -12.797 -3.504 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.253 -12.764 -4.714 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.747 -16.276 -3.383 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.011 -14.702 -2.627 1.00 0.00 H new ATOM 736 N ARG A 48 -4.978 -10.229 -6.144 1.00 0.00 N ATOM 737 CA ARG A 48 -4.683 -8.818 -5.925 1.00 0.00 C ATOM 738 C ARG A 48 -5.348 -8.316 -4.646 1.00 0.00 C ATOM 739 O ARG A 48 -4.774 -7.512 -3.913 1.00 0.00 O ATOM 740 CB ARG A 48 -5.155 -7.985 -7.119 1.00 0.00 C ATOM 741 CG ARG A 48 -6.665 -7.980 -7.298 1.00 0.00 C ATOM 742 CD ARG A 48 -7.311 -6.825 -6.549 1.00 0.00 C ATOM 743 NE ARG A 48 -7.429 -5.630 -7.380 1.00 0.00 N ATOM 744 CZ ARG A 48 -8.443 -5.409 -8.209 1.00 0.00 C ATOM 745 NH1 ARG A 48 -9.421 -6.297 -8.316 1.00 0.00 N ATOM 746 NH2 ARG A 48 -8.479 -4.297 -8.932 1.00 0.00 N ATOM 0 H ARG A 48 -5.211 -10.466 -7.108 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.603 -8.710 -5.820 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.809 -6.959 -6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.691 -8.371 -8.027 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.907 -7.908 -8.358 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.078 -8.923 -6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.300 -7.125 -6.204 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.721 -6.593 -5.662 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.693 -4.927 -7.321 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.396 -7.152 -7.761 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.199 -6.125 -8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.728 -3.612 -8.851 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.258 -4.128 -9.569 1.00 0.00 H new ATOM 760 N GLU A 49 -6.560 -8.797 -4.388 1.00 0.00 N ATOM 761 CA GLU A 49 -7.302 -8.395 -3.198 1.00 0.00 C ATOM 762 C GLU A 49 -6.450 -8.560 -1.944 1.00 0.00 C ATOM 763 O GLU A 49 -6.361 -7.652 -1.118 1.00 0.00 O ATOM 764 CB GLU A 49 -8.585 -9.219 -3.068 1.00 0.00 C ATOM 765 CG GLU A 49 -8.344 -10.719 -3.036 1.00 0.00 C ATOM 766 CD GLU A 49 -9.633 -11.518 -3.082 1.00 0.00 C ATOM 767 OE1 GLU A 49 -10.242 -11.723 -2.011 1.00 0.00 O ATOM 768 OE2 GLU A 49 -10.032 -11.937 -4.188 1.00 0.00 O ATOM 0 H GLU A 49 -7.048 -9.464 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.563 -7.342 -3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.106 -8.924 -2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.245 -8.983 -3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.716 -11.000 -3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.794 -10.976 -2.131 1.00 0.00 H new ATOM 775 N GLU A 50 -5.825 -9.725 -1.809 1.00 0.00 N ATOM 776 CA GLU A 50 -4.980 -10.010 -0.654 1.00 0.00 C ATOM 777 C GLU A 50 -3.881 -8.961 -0.513 1.00 0.00 C ATOM 778 O GLU A 50 -3.497 -8.593 0.598 1.00 0.00 O ATOM 779 CB GLU A 50 -4.359 -11.402 -0.779 1.00 0.00 C ATOM 780 CG GLU A 50 -5.206 -12.504 -0.164 1.00 0.00 C ATOM 781 CD GLU A 50 -6.670 -12.394 -0.542 1.00 0.00 C ATOM 782 OE1 GLU A 50 -7.375 -11.553 0.055 1.00 0.00 O ATOM 783 OE2 GLU A 50 -7.112 -13.148 -1.435 1.00 0.00 O ATOM 0 H GLU A 50 -5.887 -10.487 -2.484 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.605 -9.979 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.197 -11.625 -1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.380 -11.398 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.824 -13.473 -0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.111 -12.467 0.921 1.00 0.00 H new ATOM 790 N VAL A 51 -3.377 -8.483 -1.647 1.00 0.00 N ATOM 791 CA VAL A 51 -2.322 -7.477 -1.651 1.00 0.00 C ATOM 792 C VAL A 51 -2.850 -6.126 -1.179 1.00 0.00 C ATOM 793 O VAL A 51 -2.291 -5.515 -0.268 1.00 0.00 O ATOM 794 CB VAL A 51 -1.707 -7.314 -3.054 1.00 0.00 C ATOM 795 CG1 VAL A 51 -0.666 -6.206 -3.055 1.00 0.00 C ATOM 796 CG2 VAL A 51 -1.101 -8.628 -3.525 1.00 0.00 C ATOM 0 H VAL A 51 -3.683 -8.777 -2.575 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.551 -7.824 -0.963 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.499 -7.036 -3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.243 -6.106 -4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.135 -5.266 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.127 -6.451 -2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.671 -8.495 -4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.321 -8.939 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.877 -9.393 -3.565 1.00 0.00 H new ATOM 806 N ILE A 52 -3.928 -5.667 -1.805 1.00 0.00 N ATOM 807 CA ILE A 52 -4.531 -4.389 -1.448 1.00 0.00 C ATOM 808 C ILE A 52 -5.069 -4.415 -0.021 1.00 0.00 C ATOM 809 O ILE A 52 -4.599 -3.675 0.843 1.00 0.00 O ATOM 810 CB ILE A 52 -5.676 -4.019 -2.410 1.00 0.00 C ATOM 811 CG1 ILE A 52 -5.151 -3.901 -3.842 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.336 -2.720 -1.972 1.00 0.00 C ATOM 813 CD1 ILE A 52 -6.215 -4.116 -4.895 1.00 0.00 C ATOM 0 H ILE A 52 -4.402 -6.161 -2.562 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.746 -3.637 -1.524 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.424 -4.811 -2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.710 -2.913 -3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.353 -4.629 -3.989 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.143 -2.471 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.741 -2.838 -0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.598 -1.918 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.771 -4.018 -5.886 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.639 -5.114 -4.785 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.002 -3.372 -4.774 1.00 0.00 H new ATOM 825 N ARG A 53 -6.055 -5.272 0.218 1.00 0.00 N ATOM 826 CA ARG A 53 -6.656 -5.395 1.541 1.00 0.00 C ATOM 827 C ARG A 53 -5.583 -5.422 2.626 1.00 0.00 C ATOM 828 O ARG A 53 -5.704 -4.748 3.647 1.00 0.00 O ATOM 829 CB ARG A 53 -7.510 -6.662 1.621 1.00 0.00 C ATOM 830 CG ARG A 53 -8.754 -6.615 0.750 1.00 0.00 C ATOM 831 CD ARG A 53 -9.806 -5.683 1.331 1.00 0.00 C ATOM 832 NE ARG A 53 -10.574 -6.322 2.397 1.00 0.00 N ATOM 833 CZ ARG A 53 -11.563 -7.180 2.177 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.903 -7.502 0.936 1.00 0.00 N ATOM 835 NH2 ARG A 53 -12.214 -7.720 3.199 1.00 0.00 N ATOM 0 H ARG A 53 -6.455 -5.892 -0.487 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.292 -4.525 1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.903 -7.518 1.326 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.808 -6.824 2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.485 -6.282 -0.253 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.169 -7.618 0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.322 -4.787 1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.483 -5.361 0.539 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.337 -6.097 3.363 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.404 -7.090 0.147 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.663 -8.162 0.770 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.955 -7.476 4.155 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.974 -8.379 3.029 1.00 0.00 H new ATOM 849 N GLU A 54 -4.535 -6.207 2.395 1.00 0.00 N ATOM 850 CA GLU A 54 -3.442 -6.322 3.353 1.00 0.00 C ATOM 851 C GLU A 54 -2.710 -4.992 3.506 1.00 0.00 C ATOM 852 O GLU A 54 -2.679 -4.408 4.590 1.00 0.00 O ATOM 853 CB GLU A 54 -2.461 -7.410 2.912 1.00 0.00 C ATOM 854 CG GLU A 54 -1.214 -7.492 3.777 1.00 0.00 C ATOM 855 CD GLU A 54 -1.465 -8.197 5.096 1.00 0.00 C ATOM 856 OE1 GLU A 54 -2.143 -9.246 5.088 1.00 0.00 O ATOM 857 OE2 GLU A 54 -0.984 -7.701 6.136 1.00 0.00 O ATOM 0 H GLU A 54 -4.420 -6.772 1.554 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.866 -6.596 4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.969 -8.374 2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.165 -7.224 1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.431 -8.019 3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.845 -6.485 3.972 1.00 0.00 H new ATOM 864 N LEU A 55 -2.121 -4.519 2.413 1.00 0.00 N ATOM 865 CA LEU A 55 -1.388 -3.258 2.424 1.00 0.00 C ATOM 866 C LEU A 55 -2.072 -2.238 3.328 1.00 0.00 C ATOM 867 O LEU A 55 -1.421 -1.567 4.128 1.00 0.00 O ATOM 868 CB LEU A 55 -1.270 -2.701 1.004 1.00 0.00 C ATOM 869 CG LEU A 55 -0.053 -3.161 0.201 1.00 0.00 C ATOM 870 CD1 LEU A 55 -0.231 -2.834 -1.273 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.216 -2.519 0.742 1.00 0.00 C ATOM 0 H LEU A 55 -2.137 -4.990 1.508 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.389 -3.450 2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.169 -2.975 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.251 -1.613 1.063 1.00 0.00 H new ATOM 0 HG LEU A 55 0.038 -4.242 0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.645 -3.169 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.118 -3.341 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.348 -1.757 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.072 -2.858 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.134 -1.434 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.352 -2.804 1.785 1.00 0.00 H new ATOM 883 N ALA A 56 -3.390 -2.129 3.196 1.00 0.00 N ATOM 884 CA ALA A 56 -4.164 -1.194 4.003 1.00 0.00 C ATOM 885 C ALA A 56 -4.125 -1.579 5.478 1.00 0.00 C ATOM 886 O ALA A 56 -3.926 -0.731 6.346 1.00 0.00 O ATOM 887 CB ALA A 56 -5.602 -1.134 3.509 1.00 0.00 C ATOM 0 H ALA A 56 -3.944 -2.677 2.538 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.715 -0.206 3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.168 -0.432 4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.616 -0.804 2.470 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.053 -2.124 3.581 1.00 0.00 H new ATOM 893 N GLY A 57 -4.317 -2.866 5.754 1.00 0.00 N ATOM 894 CA GLY A 57 -4.300 -3.340 7.125 1.00 0.00 C ATOM 895 C GLY A 57 -3.021 -2.972 7.851 1.00 0.00 C ATOM 896 O GLY A 57 -3.012 -2.835 9.075 1.00 0.00 O ATOM 0 H GLY A 57 -4.484 -3.588 5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.152 -2.921 7.661 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.420 -4.423 7.133 1.00 0.00 H new ATOM 900 N ILE A 58 -1.939 -2.814 7.097 1.00 0.00 N ATOM 901 CA ILE A 58 -0.649 -2.460 7.676 1.00 0.00 C ATOM 902 C ILE A 58 -0.583 -0.972 8.002 1.00 0.00 C ATOM 903 O ILE A 58 -0.141 -0.581 9.082 1.00 0.00 O ATOM 904 CB ILE A 58 0.511 -2.820 6.729 1.00 0.00 C ATOM 905 CG1 ILE A 58 0.522 -4.324 6.449 1.00 0.00 C ATOM 906 CG2 ILE A 58 1.838 -2.376 7.326 1.00 0.00 C ATOM 907 CD1 ILE A 58 1.311 -4.703 5.216 1.00 0.00 C ATOM 0 H ILE A 58 -1.930 -2.926 6.083 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.547 -3.035 8.596 1.00 0.00 H new ATOM 0 HB ILE A 58 0.366 -2.296 5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.940 -4.843 7.312 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.505 -4.672 6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.649 -2.637 6.646 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.825 -1.297 7.478 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.992 -2.876 8.282 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.275 -5.784 5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.880 -4.212 4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.347 -4.386 5.336 1.00 0.00 H new ATOM 919 N VAL A 59 -1.025 -0.145 7.060 1.00 0.00 N ATOM 920 CA VAL A 59 -1.019 1.301 7.247 1.00 0.00 C ATOM 921 C VAL A 59 -1.592 1.681 8.608 1.00 0.00 C ATOM 922 O VAL A 59 -0.989 2.455 9.352 1.00 0.00 O ATOM 923 CB VAL A 59 -1.825 2.013 6.145 1.00 0.00 C ATOM 924 CG1 VAL A 59 -1.828 3.517 6.373 1.00 0.00 C ATOM 925 CG2 VAL A 59 -1.265 1.675 4.772 1.00 0.00 C ATOM 0 H VAL A 59 -1.392 -0.452 6.159 1.00 0.00 H new ATOM 0 HA VAL A 59 0.021 1.623 7.191 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.856 1.661 6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.402 4.003 5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.280 3.738 7.340 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.804 3.889 6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.847 2.187 4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.225 1.997 4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.321 0.598 4.611 1.00 0.00 H new ATOM 935 N CYS A 60 -2.759 1.133 8.926 1.00 0.00 N ATOM 936 CA CYS A 60 -3.415 1.415 10.198 1.00 0.00 C ATOM 937 C CYS A 60 -2.534 0.992 11.369 1.00 0.00 C ATOM 938 O CYS A 60 -2.461 1.682 12.387 1.00 0.00 O ATOM 939 CB CYS A 60 -4.762 0.694 10.272 1.00 0.00 C ATOM 940 SG CYS A 60 -5.978 1.280 9.069 1.00 0.00 S ATOM 0 H CYS A 60 -3.271 0.491 8.321 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.582 2.490 10.262 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.600 -0.373 10.119 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.172 0.814 11.275 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.083 0.610 9.207 1.00 0.00 H new ATOM 946 N THR A 61 -1.867 -0.148 11.220 1.00 0.00 N ATOM 947 CA THR A 61 -0.993 -0.665 12.266 1.00 0.00 C ATOM 948 C THR A 61 0.025 0.383 12.700 1.00 0.00 C ATOM 949 O THR A 61 0.303 0.540 13.890 1.00 0.00 O ATOM 950 CB THR A 61 -0.245 -1.928 11.800 1.00 0.00 C ATOM 951 OG1 THR A 61 -1.178 -2.895 11.305 1.00 0.00 O ATOM 952 CG2 THR A 61 0.561 -2.531 12.940 1.00 0.00 C ATOM 0 H THR A 61 -1.915 -0.731 10.385 1.00 0.00 H new ATOM 0 HA THR A 61 -1.631 -0.921 13.112 1.00 0.00 H new ATOM 0 HB THR A 61 0.441 -1.644 11.002 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.524 -2.601 10.436 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.080 -3.422 12.587 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.290 -1.803 13.295 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.109 -2.801 13.756 1.00 0.00 H new ATOM 960 N LEU A 62 0.579 1.100 11.728 1.00 0.00 N ATOM 961 CA LEU A 62 1.567 2.136 12.010 1.00 0.00 C ATOM 962 C LEU A 62 0.977 3.224 12.901 1.00 0.00 C ATOM 963 O LEU A 62 1.361 3.367 14.060 1.00 0.00 O ATOM 964 CB LEU A 62 2.077 2.750 10.705 1.00 0.00 C ATOM 965 CG LEU A 62 2.619 1.767 9.667 1.00 0.00 C ATOM 966 CD1 LEU A 62 2.554 2.372 8.273 1.00 0.00 C ATOM 967 CD2 LEU A 62 4.046 1.363 10.009 1.00 0.00 C ATOM 0 H LEU A 62 0.361 0.983 10.738 1.00 0.00 H new ATOM 0 HA LEU A 62 2.401 1.674 12.538 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.263 3.315 10.251 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.865 3.464 10.946 1.00 0.00 H new ATOM 0 HG LEU A 62 1.996 0.873 9.682 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.944 1.658 7.548 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.519 2.610 8.028 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.152 3.283 8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.416 0.663 9.260 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.681 2.249 10.023 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.064 0.888 10.990 1.00 0.00 H new ATOM 979 N ASN A 63 0.039 3.988 12.350 1.00 0.00 N ATOM 980 CA ASN A 63 -0.607 5.063 13.095 1.00 0.00 C ATOM 981 C ASN A 63 -2.125 4.917 13.056 1.00 0.00 C ATOM 982 O ASN A 63 -2.732 4.927 11.985 1.00 0.00 O ATOM 983 CB ASN A 63 -0.199 6.423 12.526 1.00 0.00 C ATOM 984 CG ASN A 63 -0.192 7.513 13.581 1.00 0.00 C ATOM 985 OD1 ASN A 63 -0.830 7.384 14.626 1.00 0.00 O ATOM 986 ND2 ASN A 63 0.530 8.594 13.310 1.00 0.00 N ATOM 0 H ASN A 63 -0.291 3.883 11.390 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.281 4.998 14.133 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.793 6.345 12.082 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.886 6.700 11.726 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.572 9.361 13.981 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.043 8.657 12.431 1.00 0.00 H new ATOM 993 N SER A 64 -2.732 4.782 14.230 1.00 0.00 N ATOM 994 CA SER A 64 -4.179 4.631 14.330 1.00 0.00 C ATOM 995 C SER A 64 -4.895 5.774 13.617 1.00 0.00 C ATOM 996 O SER A 64 -6.021 5.617 13.148 1.00 0.00 O ATOM 997 CB SER A 64 -4.608 4.581 15.798 1.00 0.00 C ATOM 998 OG SER A 64 -3.888 3.587 16.507 1.00 0.00 O ATOM 0 H SER A 64 -2.244 4.774 15.126 1.00 0.00 H new ATOM 0 HA SER A 64 -4.456 3.694 13.846 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.443 5.554 16.261 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.676 4.375 15.861 1.00 0.00 H new ATOM 0 HG SER A 64 -4.180 3.577 17.443 1.00 0.00 H new ATOM 1004 N GLU A 65 -4.232 6.923 13.542 1.00 0.00 N ATOM 1005 CA GLU A 65 -4.805 8.093 12.887 1.00 0.00 C ATOM 1006 C GLU A 65 -4.955 7.859 11.387 1.00 0.00 C ATOM 1007 O GLU A 65 -5.766 8.505 10.725 1.00 0.00 O ATOM 1008 CB GLU A 65 -3.931 9.324 13.137 1.00 0.00 C ATOM 1009 CG GLU A 65 -3.928 9.785 14.585 1.00 0.00 C ATOM 1010 CD GLU A 65 -5.326 9.983 15.137 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -6.138 10.657 14.470 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -5.608 9.464 16.237 1.00 0.00 O ATOM 0 H GLU A 65 -3.298 7.069 13.926 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.794 8.266 13.311 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.908 9.101 12.834 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.280 10.141 12.505 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.401 9.051 15.195 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.375 10.721 14.663 1.00 0.00 H new ATOM 1019 N ASN A 66 -4.167 6.929 10.858 1.00 0.00 N ATOM 1020 CA ASN A 66 -4.210 6.609 9.435 1.00 0.00 C ATOM 1021 C ASN A 66 -5.549 5.979 9.060 1.00 0.00 C ATOM 1022 O ASN A 66 -6.028 5.066 9.733 1.00 0.00 O ATOM 1023 CB ASN A 66 -3.068 5.659 9.070 1.00 0.00 C ATOM 1024 CG ASN A 66 -1.709 6.219 9.445 1.00 0.00 C ATOM 1025 OD1 ASN A 66 -1.471 7.422 9.341 1.00 0.00 O ATOM 1026 ND2 ASN A 66 -0.810 5.345 9.883 1.00 0.00 N ATOM 0 H ASN A 66 -3.491 6.384 11.393 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.095 7.537 8.875 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.217 4.705 9.575 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.093 5.460 7.999 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.122 5.662 10.150 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.052 4.357 9.953 1.00 0.00 H new ATOM 1033 N LYS A 67 -6.147 6.474 7.982 1.00 0.00 N ATOM 1034 CA LYS A 67 -7.429 5.960 7.515 1.00 0.00 C ATOM 1035 C LYS A 67 -7.514 6.013 5.993 1.00 0.00 C ATOM 1036 O LYS A 67 -7.653 7.086 5.405 1.00 0.00 O ATOM 1037 CB LYS A 67 -8.578 6.764 8.129 1.00 0.00 C ATOM 1038 CG LYS A 67 -8.842 6.431 9.587 1.00 0.00 C ATOM 1039 CD LYS A 67 -10.049 7.184 10.121 1.00 0.00 C ATOM 1040 CE LYS A 67 -9.678 8.595 10.555 1.00 0.00 C ATOM 1041 NZ LYS A 67 -9.632 9.536 9.402 1.00 0.00 N ATOM 0 H LYS A 67 -5.764 7.231 7.415 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.512 4.920 7.830 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.353 7.827 8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.486 6.582 7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.005 5.358 9.692 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.964 6.680 10.183 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.820 7.230 9.352 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.473 6.642 10.966 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.403 8.952 11.287 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.707 8.579 11.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.012 10.460 9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.648 9.650 9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.204 9.156 8.621 1.00 0.00 H new ATOM 1055 N VAL A 68 -7.432 4.847 5.359 1.00 0.00 N ATOM 1056 CA VAL A 68 -7.502 4.760 3.905 1.00 0.00 C ATOM 1057 C VAL A 68 -8.867 5.209 3.394 1.00 0.00 C ATOM 1058 O VAL A 68 -9.895 4.636 3.755 1.00 0.00 O ATOM 1059 CB VAL A 68 -7.228 3.327 3.415 1.00 0.00 C ATOM 1060 CG1 VAL A 68 -8.124 2.334 4.138 1.00 0.00 C ATOM 1061 CG2 VAL A 68 -7.421 3.233 1.909 1.00 0.00 C ATOM 0 H VAL A 68 -7.317 3.950 5.830 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.733 5.424 3.510 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.192 3.076 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.915 1.327 3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.931 2.383 5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.168 2.579 3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.223 2.213 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.446 3.504 1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.732 3.915 1.411 1.00 0.00 H new ATOM 1071 N ASP A 69 -8.868 6.235 2.550 1.00 0.00 N ATOM 1072 CA ASP A 69 -10.106 6.760 1.987 1.00 0.00 C ATOM 1073 C ASP A 69 -10.031 6.811 0.464 1.00 0.00 C ATOM 1074 O ASP A 69 -8.956 6.993 -0.110 1.00 0.00 O ATOM 1075 CB ASP A 69 -10.394 8.155 2.543 1.00 0.00 C ATOM 1076 CG ASP A 69 -11.876 8.470 2.579 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -12.666 7.564 2.919 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -12.247 9.621 2.267 1.00 0.00 O ATOM 0 H ASP A 69 -8.025 6.719 2.241 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.918 6.090 2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.985 8.233 3.550 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.882 8.899 1.932 1.00 0.00 H new ATOM 1083 N LEU A 70 -11.178 6.650 -0.186 1.00 0.00 N ATOM 1084 CA LEU A 70 -11.243 6.677 -1.643 1.00 0.00 C ATOM 1085 C LEU A 70 -12.020 7.895 -2.131 1.00 0.00 C ATOM 1086 O LEU A 70 -12.232 8.071 -3.331 1.00 0.00 O ATOM 1087 CB LEU A 70 -11.896 5.397 -2.168 1.00 0.00 C ATOM 1088 CG LEU A 70 -11.272 4.083 -1.697 1.00 0.00 C ATOM 1089 CD1 LEU A 70 -12.064 2.897 -2.224 1.00 0.00 C ATOM 1090 CD2 LEU A 70 -9.818 3.995 -2.138 1.00 0.00 C ATOM 0 H LEU A 70 -12.076 6.499 0.273 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.225 6.741 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.946 5.403 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.868 5.419 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.302 4.058 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.605 1.971 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.089 2.953 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.066 2.916 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.390 3.053 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.764 4.042 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.257 4.826 -1.710 1.00 0.00 H new ATOM 1102 N THR A 71 -12.443 8.736 -1.192 1.00 0.00 N ATOM 1103 CA THR A 71 -13.196 9.939 -1.526 1.00 0.00 C ATOM 1104 C THR A 71 -12.318 11.181 -1.428 1.00 0.00 C ATOM 1105 O THR A 71 -12.270 11.992 -2.352 1.00 0.00 O ATOM 1106 CB THR A 71 -14.416 10.112 -0.602 1.00 0.00 C ATOM 1107 OG1 THR A 71 -15.230 8.935 -0.640 1.00 0.00 O ATOM 1108 CG2 THR A 71 -15.242 11.320 -1.018 1.00 0.00 C ATOM 0 H THR A 71 -12.277 8.606 -0.194 1.00 0.00 H new ATOM 0 HA THR A 71 -13.541 9.822 -2.553 1.00 0.00 H new ATOM 0 HB THR A 71 -14.055 10.271 0.414 1.00 0.00 H new ATOM 0 HG1 THR A 71 -16.003 9.052 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.098 11.422 -0.351 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.627 12.218 -0.960 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.593 11.186 -2.041 1.00 0.00 H new ATOM 1116 N ASN A 72 -11.625 11.324 -0.303 1.00 0.00 N ATOM 1117 CA ASN A 72 -10.748 12.469 -0.086 1.00 0.00 C ATOM 1118 C ASN A 72 -9.382 12.019 0.423 1.00 0.00 C ATOM 1119 O ASN A 72 -8.916 12.442 1.480 1.00 0.00 O ATOM 1120 CB ASN A 72 -11.382 13.440 0.912 1.00 0.00 C ATOM 1121 CG ASN A 72 -12.261 14.474 0.235 1.00 0.00 C ATOM 1122 OD1 ASN A 72 -11.859 15.098 -0.747 1.00 0.00 O ATOM 1123 ND2 ASN A 72 -13.467 14.659 0.759 1.00 0.00 N ATOM 0 H ASN A 72 -11.654 10.662 0.472 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.611 12.977 -1.041 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.976 12.879 1.633 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.596 13.946 1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.103 15.341 0.347 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.757 14.119 1.574 1.00 0.00 H new ATOM 1130 N PRO A 73 -8.724 11.141 -0.348 1.00 0.00 N ATOM 1131 CA PRO A 73 -7.401 10.615 0.003 1.00 0.00 C ATOM 1132 C PRO A 73 -6.310 11.674 -0.102 1.00 0.00 C ATOM 1133 O PRO A 73 -6.342 12.524 -0.992 1.00 0.00 O ATOM 1134 CB PRO A 73 -7.174 9.508 -1.030 1.00 0.00 C ATOM 1135 CG PRO A 73 -8.015 9.899 -2.195 1.00 0.00 C ATOM 1136 CD PRO A 73 -9.220 10.594 -1.622 1.00 0.00 C ATOM 0 HA PRO A 73 -7.361 10.268 1.035 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.122 9.435 -1.308 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.468 8.534 -0.638 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.467 10.559 -2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.308 9.024 -2.775 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.582 11.381 -2.283 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.048 9.902 -1.467 1.00 0.00 H new ATOM 1144 N GLN A 74 -5.345 11.617 0.810 1.00 0.00 N ATOM 1145 CA GLN A 74 -4.244 12.572 0.819 1.00 0.00 C ATOM 1146 C GLN A 74 -3.008 11.985 0.147 1.00 0.00 C ATOM 1147 O GLN A 74 -2.236 12.701 -0.492 1.00 0.00 O ATOM 1148 CB GLN A 74 -3.911 12.986 2.254 1.00 0.00 C ATOM 1149 CG GLN A 74 -4.803 14.094 2.790 1.00 0.00 C ATOM 1150 CD GLN A 74 -4.848 15.302 1.874 1.00 0.00 C ATOM 1151 OE1 GLN A 74 -5.859 15.564 1.223 1.00 0.00 O ATOM 1152 NE2 GLN A 74 -3.749 16.045 1.820 1.00 0.00 N ATOM 0 H GLN A 74 -5.304 10.919 1.553 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.556 13.453 0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.997 12.115 2.904 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.872 13.314 2.297 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.813 13.708 2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.444 14.401 3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.933 15.790 2.377 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.720 16.870 1.221 1.00 0.00 H new ATOM 1161 N TYR A 75 -2.825 10.677 0.295 1.00 0.00 N ATOM 1162 CA TYR A 75 -1.681 9.993 -0.295 1.00 0.00 C ATOM 1163 C TYR A 75 -2.133 8.812 -1.148 1.00 0.00 C ATOM 1164 O TYR A 75 -2.812 7.905 -0.665 1.00 0.00 O ATOM 1165 CB TYR A 75 -0.728 9.511 0.799 1.00 0.00 C ATOM 1166 CG TYR A 75 -0.266 10.612 1.728 1.00 0.00 C ATOM 1167 CD1 TYR A 75 0.785 11.449 1.377 1.00 0.00 C ATOM 1168 CD2 TYR A 75 -0.883 10.814 2.957 1.00 0.00 C ATOM 1169 CE1 TYR A 75 1.210 12.455 2.223 1.00 0.00 C ATOM 1170 CE2 TYR A 75 -0.465 11.818 3.809 1.00 0.00 C ATOM 1171 CZ TYR A 75 0.582 12.636 3.437 1.00 0.00 C ATOM 1172 OH TYR A 75 1.001 13.638 4.282 1.00 0.00 O ATOM 0 H TYR A 75 -3.455 10.070 0.819 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.158 10.702 -0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.223 8.736 1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.143 9.051 0.333 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.279 11.311 0.426 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.703 10.175 3.251 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.030 13.096 1.935 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.955 11.962 4.761 1.00 0.00 H new ATOM 0 HH TYR A 75 0.453 13.631 5.095 1.00 0.00 H new ATOM 1182 N THR A 76 -1.750 8.829 -2.421 1.00 0.00 N ATOM 1183 CA THR A 76 -2.115 7.761 -3.343 1.00 0.00 C ATOM 1184 C THR A 76 -0.989 6.743 -3.479 1.00 0.00 C ATOM 1185 O THR A 76 0.043 7.022 -4.090 1.00 0.00 O ATOM 1186 CB THR A 76 -2.461 8.316 -4.738 1.00 0.00 C ATOM 1187 OG1 THR A 76 -3.450 9.345 -4.624 1.00 0.00 O ATOM 1188 CG2 THR A 76 -2.975 7.211 -5.648 1.00 0.00 C ATOM 0 H THR A 76 -1.187 9.571 -2.837 1.00 0.00 H new ATOM 0 HA THR A 76 -2.995 7.272 -2.926 1.00 0.00 H new ATOM 0 HB THR A 76 -1.553 8.732 -5.175 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.663 9.694 -5.515 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.213 7.627 -6.627 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.209 6.443 -5.756 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.872 6.770 -5.214 1.00 0.00 H new ATOM 1196 N VAL A 77 -1.193 5.561 -2.907 1.00 0.00 N ATOM 1197 CA VAL A 77 -0.195 4.500 -2.967 1.00 0.00 C ATOM 1198 C VAL A 77 -0.561 3.458 -4.017 1.00 0.00 C ATOM 1199 O VAL A 77 -1.404 2.592 -3.781 1.00 0.00 O ATOM 1200 CB VAL A 77 -0.035 3.803 -1.602 1.00 0.00 C ATOM 1201 CG1 VAL A 77 0.978 4.542 -0.741 1.00 0.00 C ATOM 1202 CG2 VAL A 77 -1.377 3.704 -0.894 1.00 0.00 C ATOM 0 H VAL A 77 -2.041 5.314 -2.397 1.00 0.00 H new ATOM 0 HA VAL A 77 0.750 4.970 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 77 0.336 2.792 -1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.078 4.036 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.944 4.556 -1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.639 5.565 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.245 3.209 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.779 4.705 -0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.070 3.127 -1.507 1.00 0.00 H new ATOM 1212 N VAL A 78 0.078 3.547 -5.179 1.00 0.00 N ATOM 1213 CA VAL A 78 -0.180 2.611 -6.267 1.00 0.00 C ATOM 1214 C VAL A 78 0.874 1.510 -6.306 1.00 0.00 C ATOM 1215 O VAL A 78 2.063 1.767 -6.116 1.00 0.00 O ATOM 1216 CB VAL A 78 -0.207 3.328 -7.630 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -1.136 4.532 -7.581 1.00 0.00 C ATOM 1218 CG2 VAL A 78 1.197 3.744 -8.041 1.00 0.00 C ATOM 0 H VAL A 78 0.778 4.258 -5.391 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.158 2.168 -6.078 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.589 2.634 -8.379 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.143 5.026 -8.552 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.145 4.203 -7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.786 5.231 -6.821 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.159 4.249 -9.006 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.609 4.421 -7.293 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.830 2.860 -8.119 1.00 0.00 H new ATOM 1228 N VAL A 79 0.430 0.282 -6.554 1.00 0.00 N ATOM 1229 CA VAL A 79 1.335 -0.860 -6.619 1.00 0.00 C ATOM 1230 C VAL A 79 1.380 -1.446 -8.026 1.00 0.00 C ATOM 1231 O VAL A 79 0.429 -2.088 -8.471 1.00 0.00 O ATOM 1232 CB VAL A 79 0.920 -1.963 -5.628 1.00 0.00 C ATOM 1233 CG1 VAL A 79 1.003 -1.454 -4.197 1.00 0.00 C ATOM 1234 CG2 VAL A 79 -0.481 -2.463 -5.944 1.00 0.00 C ATOM 0 H VAL A 79 -0.551 0.052 -6.713 1.00 0.00 H new ATOM 0 HA VAL A 79 2.326 -0.494 -6.349 1.00 0.00 H new ATOM 0 HB VAL A 79 1.611 -2.799 -5.731 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.706 -2.247 -3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.026 -1.149 -3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.336 -0.600 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.758 -3.242 -5.234 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.188 -1.636 -5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.503 -2.869 -6.955 1.00 0.00 H new ATOM 1244 N GLU A 80 2.491 -1.220 -8.721 1.00 0.00 N ATOM 1245 CA GLU A 80 2.658 -1.727 -10.078 1.00 0.00 C ATOM 1246 C GLU A 80 3.646 -2.889 -10.107 1.00 0.00 C ATOM 1247 O GLU A 80 4.772 -2.772 -9.621 1.00 0.00 O ATOM 1248 CB GLU A 80 3.139 -0.610 -11.007 1.00 0.00 C ATOM 1249 CG GLU A 80 3.020 -0.952 -12.482 1.00 0.00 C ATOM 1250 CD GLU A 80 2.860 0.277 -13.355 1.00 0.00 C ATOM 1251 OE1 GLU A 80 1.707 0.709 -13.564 1.00 0.00 O ATOM 1252 OE2 GLU A 80 3.886 0.807 -13.829 1.00 0.00 O ATOM 0 H GLU A 80 3.287 -0.690 -8.367 1.00 0.00 H new ATOM 0 HA GLU A 80 1.690 -2.088 -10.426 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.563 0.293 -10.804 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.180 -0.382 -10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.907 -1.503 -12.796 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.165 -1.612 -12.630 1.00 0.00 H new ATOM 1259 N ILE A 81 3.217 -4.009 -10.679 1.00 0.00 N ATOM 1260 CA ILE A 81 4.064 -5.192 -10.771 1.00 0.00 C ATOM 1261 C ILE A 81 5.112 -5.033 -11.868 1.00 0.00 C ATOM 1262 O ILE A 81 4.795 -5.094 -13.056 1.00 0.00 O ATOM 1263 CB ILE A 81 3.233 -6.458 -11.050 1.00 0.00 C ATOM 1264 CG1 ILE A 81 2.052 -6.544 -10.081 1.00 0.00 C ATOM 1265 CG2 ILE A 81 4.106 -7.699 -10.941 1.00 0.00 C ATOM 1266 CD1 ILE A 81 2.458 -6.468 -8.626 1.00 0.00 C ATOM 0 H ILE A 81 2.288 -4.122 -11.086 1.00 0.00 H new ATOM 0 HA ILE A 81 4.563 -5.300 -9.808 1.00 0.00 H new ATOM 0 HB ILE A 81 2.841 -6.401 -12.066 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.355 -5.735 -10.298 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.519 -7.479 -10.253 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.504 -8.586 -11.141 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.916 -7.639 -11.668 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.524 -7.763 -9.936 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.571 -6.535 -7.997 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.132 -7.293 -8.393 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.965 -5.521 -8.439 1.00 0.00 H new ATOM 1278 N ILE A 82 6.360 -4.831 -11.461 1.00 0.00 N ATOM 1279 CA ILE A 82 7.455 -4.667 -12.409 1.00 0.00 C ATOM 1280 C ILE A 82 8.449 -5.819 -12.305 1.00 0.00 C ATOM 1281 O ILE A 82 9.390 -5.774 -11.513 1.00 0.00 O ATOM 1282 CB ILE A 82 8.201 -3.339 -12.182 1.00 0.00 C ATOM 1283 CG1 ILE A 82 7.229 -2.161 -12.272 1.00 0.00 C ATOM 1284 CG2 ILE A 82 9.325 -3.184 -13.196 1.00 0.00 C ATOM 1285 CD1 ILE A 82 6.447 -2.120 -13.566 1.00 0.00 C ATOM 0 H ILE A 82 6.638 -4.777 -10.481 1.00 0.00 H new ATOM 0 HA ILE A 82 7.012 -4.661 -13.405 1.00 0.00 H new ATOM 0 HB ILE A 82 8.637 -3.350 -11.183 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.531 -2.212 -11.437 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.787 -1.231 -12.165 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.843 -2.241 -13.023 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.028 -4.010 -13.088 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.909 -3.190 -14.204 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.778 -1.259 -13.560 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.137 -2.038 -14.406 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.861 -3.034 -13.666 1.00 0.00 H new ATOM 1297 N LYS A 83 8.235 -6.852 -13.114 1.00 0.00 N ATOM 1298 CA LYS A 83 9.112 -8.016 -13.117 1.00 0.00 C ATOM 1299 C LYS A 83 8.996 -8.789 -11.807 1.00 0.00 C ATOM 1300 O LYS A 83 10.002 -9.177 -11.213 1.00 0.00 O ATOM 1301 CB LYS A 83 10.564 -7.586 -13.341 1.00 0.00 C ATOM 1302 CG LYS A 83 10.753 -6.693 -14.554 1.00 0.00 C ATOM 1303 CD LYS A 83 12.157 -6.113 -14.607 1.00 0.00 C ATOM 1304 CE LYS A 83 12.238 -4.783 -13.873 1.00 0.00 C ATOM 1305 NZ LYS A 83 13.628 -4.248 -13.848 1.00 0.00 N ATOM 0 H LYS A 83 7.461 -6.906 -13.776 1.00 0.00 H new ATOM 0 HA LYS A 83 8.803 -8.670 -13.933 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.919 -7.061 -12.455 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.184 -8.475 -13.455 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.560 -7.265 -15.462 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.024 -5.883 -14.527 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.860 -6.818 -14.164 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.456 -5.975 -15.646 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.579 -4.061 -14.356 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.879 -4.909 -12.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.642 -3.341 -13.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.252 -4.925 -13.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.962 -4.103 -14.822 1.00 0.00 H new ATOM 1319 N ALA A 84 7.763 -9.011 -11.363 1.00 0.00 N ATOM 1320 CA ALA A 84 7.516 -9.740 -10.126 1.00 0.00 C ATOM 1321 C ALA A 84 7.954 -8.927 -8.912 1.00 0.00 C ATOM 1322 O ALA A 84 8.464 -9.476 -7.936 1.00 0.00 O ATOM 1323 CB ALA A 84 8.234 -11.082 -10.152 1.00 0.00 C ATOM 0 H ALA A 84 6.920 -8.696 -11.842 1.00 0.00 H new ATOM 0 HA ALA A 84 6.443 -9.915 -10.045 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.041 -11.616 -9.222 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.870 -11.673 -10.992 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.306 -10.919 -10.261 1.00 0.00 H new ATOM 1329 N VAL A 85 7.753 -7.615 -8.981 1.00 0.00 N ATOM 1330 CA VAL A 85 8.126 -6.726 -7.887 1.00 0.00 C ATOM 1331 C VAL A 85 7.030 -5.703 -7.611 1.00 0.00 C ATOM 1332 O VAL A 85 6.543 -5.038 -8.527 1.00 0.00 O ATOM 1333 CB VAL A 85 9.441 -5.984 -8.192 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.169 -4.728 -9.006 1.00 0.00 C ATOM 1335 CG2 VAL A 85 10.173 -5.645 -6.902 1.00 0.00 C ATOM 0 H VAL A 85 7.334 -7.144 -9.783 1.00 0.00 H new ATOM 0 HA VAL A 85 8.265 -7.351 -7.005 1.00 0.00 H new ATOM 0 HB VAL A 85 10.079 -6.640 -8.783 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.110 -4.217 -9.212 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.691 -5.001 -9.947 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.512 -4.065 -8.443 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.100 -5.121 -7.136 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.542 -5.007 -6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.402 -6.563 -6.362 1.00 0.00 H new ATOM 1345 N CYS A 86 6.647 -5.582 -6.345 1.00 0.00 N ATOM 1346 CA CYS A 86 5.607 -4.639 -5.948 1.00 0.00 C ATOM 1347 C CYS A 86 6.133 -3.208 -5.971 1.00 0.00 C ATOM 1348 O CYS A 86 6.789 -2.762 -5.029 1.00 0.00 O ATOM 1349 CB CYS A 86 5.086 -4.981 -4.552 1.00 0.00 C ATOM 1350 SG CYS A 86 3.652 -6.082 -4.548 1.00 0.00 S ATOM 0 H CYS A 86 7.040 -6.125 -5.576 1.00 0.00 H new ATOM 0 HA CYS A 86 4.788 -4.717 -6.663 1.00 0.00 H new ATOM 0 HB2 CYS A 86 5.889 -5.446 -3.980 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.822 -4.057 -4.038 1.00 0.00 H new ATOM 0 HG CYS A 86 2.812 -5.697 -3.633 1.00 0.00 H new ATOM 1356 N CYS A 87 5.843 -2.494 -7.053 1.00 0.00 N ATOM 1357 CA CYS A 87 6.289 -1.113 -7.201 1.00 0.00 C ATOM 1358 C CYS A 87 5.341 -0.156 -6.484 1.00 0.00 C ATOM 1359 O CYS A 87 4.297 0.217 -7.020 1.00 0.00 O ATOM 1360 CB CYS A 87 6.385 -0.741 -8.681 1.00 0.00 C ATOM 1361 SG CYS A 87 7.587 0.561 -9.039 1.00 0.00 S ATOM 0 H CYS A 87 5.301 -2.849 -7.841 1.00 0.00 H new ATOM 0 HA CYS A 87 7.276 -1.026 -6.748 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.649 -1.631 -9.252 1.00 0.00 H new ATOM 0 HB3 CYS A 87 5.403 -0.419 -9.028 1.00 0.00 H new ATOM 0 HG CYS A 87 7.597 0.803 -10.316 1.00 0.00 H new ATOM 1367 N LEU A 88 5.711 0.236 -5.270 1.00 0.00 N ATOM 1368 CA LEU A 88 4.894 1.148 -4.478 1.00 0.00 C ATOM 1369 C LEU A 88 5.239 2.600 -4.792 1.00 0.00 C ATOM 1370 O LEU A 88 6.370 3.039 -4.583 1.00 0.00 O ATOM 1371 CB LEU A 88 5.091 0.876 -2.986 1.00 0.00 C ATOM 1372 CG LEU A 88 4.228 -0.235 -2.387 1.00 0.00 C ATOM 1373 CD1 LEU A 88 4.936 -1.577 -2.495 1.00 0.00 C ATOM 1374 CD2 LEU A 88 3.890 0.076 -0.936 1.00 0.00 C ATOM 0 H LEU A 88 6.572 -0.064 -4.813 1.00 0.00 H new ATOM 0 HA LEU A 88 3.849 0.978 -4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.138 0.626 -2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.892 1.798 -2.440 1.00 0.00 H new ATOM 0 HG LEU A 88 3.298 -0.291 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.307 -2.356 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.127 -1.804 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.882 -1.534 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.275 -0.725 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.810 0.160 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.342 1.017 -0.884 1.00 0.00 H new ATOM 1386 N SER A 89 4.256 3.342 -5.294 1.00 0.00 N ATOM 1387 CA SER A 89 4.456 4.745 -5.638 1.00 0.00 C ATOM 1388 C SER A 89 3.497 5.638 -4.856 1.00 0.00 C ATOM 1389 O SER A 89 2.278 5.515 -4.977 1.00 0.00 O ATOM 1390 CB SER A 89 4.258 4.956 -7.140 1.00 0.00 C ATOM 1391 OG SER A 89 5.478 4.795 -7.843 1.00 0.00 O ATOM 0 H SER A 89 3.314 2.995 -5.471 1.00 0.00 H new ATOM 0 HA SER A 89 5.477 5.018 -5.371 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.522 4.246 -7.516 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.860 5.954 -7.321 1.00 0.00 H new ATOM 0 HG SER A 89 5.324 4.933 -8.801 1.00 0.00 H new ATOM 1397 N VAL A 90 4.057 6.537 -4.054 1.00 0.00 N ATOM 1398 CA VAL A 90 3.254 7.453 -3.252 1.00 0.00 C ATOM 1399 C VAL A 90 3.138 8.815 -3.926 1.00 0.00 C ATOM 1400 O VAL A 90 4.141 9.424 -4.297 1.00 0.00 O ATOM 1401 CB VAL A 90 3.849 7.637 -1.844 1.00 0.00 C ATOM 1402 CG1 VAL A 90 2.984 8.576 -1.017 1.00 0.00 C ATOM 1403 CG2 VAL A 90 4.004 6.292 -1.151 1.00 0.00 C ATOM 0 H VAL A 90 5.064 6.651 -3.942 1.00 0.00 H new ATOM 0 HA VAL A 90 2.262 7.009 -3.163 1.00 0.00 H new ATOM 0 HB VAL A 90 4.838 8.085 -1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.420 8.694 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.930 9.548 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.981 8.160 -0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.426 6.441 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.029 5.813 -1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.669 5.656 -1.736 1.00 0.00 H new ATOM 1413 N VAL A 91 1.905 9.290 -4.080 1.00 0.00 N ATOM 1414 CA VAL A 91 1.657 10.583 -4.707 1.00 0.00 C ATOM 1415 C VAL A 91 0.774 11.460 -3.827 1.00 0.00 C ATOM 1416 O VAL A 91 -0.396 11.153 -3.599 1.00 0.00 O ATOM 1417 CB VAL A 91 0.989 10.419 -6.085 1.00 0.00 C ATOM 1418 CG1 VAL A 91 0.697 11.778 -6.702 1.00 0.00 C ATOM 1419 CG2 VAL A 91 1.864 9.583 -7.005 1.00 0.00 C ATOM 0 H VAL A 91 1.063 8.799 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 91 2.627 11.064 -4.837 1.00 0.00 H new ATOM 0 HB VAL A 91 0.042 9.897 -5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.225 11.642 -7.675 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.027 12.338 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.629 12.330 -6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.376 9.477 -7.974 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.828 10.074 -7.136 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.016 8.597 -6.566 1.00 0.00 H new ATOM 1429 N LYS A 92 1.342 12.556 -3.334 1.00 0.00 N ATOM 1430 CA LYS A 92 0.607 13.481 -2.480 1.00 0.00 C ATOM 1431 C LYS A 92 -0.236 14.439 -3.315 1.00 0.00 C ATOM 1432 O LYS A 92 0.296 15.277 -4.042 1.00 0.00 O ATOM 1433 CB LYS A 92 1.576 14.273 -1.599 1.00 0.00 C ATOM 1434 CG LYS A 92 0.896 15.015 -0.461 1.00 0.00 C ATOM 1435 CD LYS A 92 1.909 15.677 0.458 1.00 0.00 C ATOM 1436 CE LYS A 92 2.493 16.934 -0.170 1.00 0.00 C ATOM 1437 NZ LYS A 92 2.979 17.893 0.860 1.00 0.00 N ATOM 0 H LYS A 92 2.310 12.825 -3.512 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.059 12.898 -1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.318 13.590 -1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.114 14.990 -2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.225 15.771 -0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.283 14.320 0.113 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.432 15.930 1.405 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.712 14.975 0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.317 16.661 -0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.736 17.417 -0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 3.369 18.736 0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.188 18.173 1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.720 17.441 1.433 1.00 0.00 H new ATOM 1451 N SER A 93 -1.555 14.311 -3.203 1.00 0.00 N ATOM 1452 CA SER A 93 -2.472 15.164 -3.950 1.00 0.00 C ATOM 1453 C SER A 93 -3.514 15.782 -3.023 1.00 0.00 C ATOM 1454 O SER A 93 -4.323 15.077 -2.422 1.00 0.00 O ATOM 1455 CB SER A 93 -3.165 14.362 -5.053 1.00 0.00 C ATOM 1456 OG SER A 93 -3.731 15.220 -6.028 1.00 0.00 O ATOM 0 H SER A 93 -2.012 13.625 -2.602 1.00 0.00 H new ATOM 0 HA SER A 93 -1.893 15.968 -4.405 1.00 0.00 H new ATOM 0 HB2 SER A 93 -2.447 13.692 -5.526 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.945 13.737 -4.617 1.00 0.00 H new ATOM 0 HG SER A 93 -4.166 14.683 -6.723 1.00 0.00 H new ATOM 1462 N GLY A 94 -3.488 17.107 -2.913 1.00 0.00 N ATOM 1463 CA GLY A 94 -4.435 17.800 -2.058 1.00 0.00 C ATOM 1464 C GLY A 94 -3.752 18.635 -0.994 1.00 0.00 C ATOM 1465 O GLY A 94 -3.297 18.125 0.030 1.00 0.00 O ATOM 0 H GLY A 94 -2.828 17.713 -3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.068 18.443 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.089 17.071 -1.579 1.00 0.00 H new ATOM 1469 N PRO A 95 -3.671 19.953 -1.233 1.00 0.00 N ATOM 1470 CA PRO A 95 -3.038 20.889 -0.298 1.00 0.00 C ATOM 1471 C PRO A 95 -3.851 21.071 0.979 1.00 0.00 C ATOM 1472 O PRO A 95 -3.341 21.564 1.985 1.00 0.00 O ATOM 1473 CB PRO A 95 -2.986 22.198 -1.089 1.00 0.00 C ATOM 1474 CG PRO A 95 -4.095 22.089 -2.078 1.00 0.00 C ATOM 1475 CD PRO A 95 -4.191 20.630 -2.432 1.00 0.00 C ATOM 0 HA PRO A 95 -2.062 20.536 0.034 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.121 23.060 -0.436 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.024 22.322 -1.586 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.032 22.451 -1.655 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.890 22.693 -2.962 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -5.218 20.335 -2.646 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.600 20.391 -3.316 1.00 0.00 H new ATOM 1483 N SER A 96 -5.117 20.668 0.932 1.00 0.00 N ATOM 1484 CA SER A 96 -6.001 20.790 2.086 1.00 0.00 C ATOM 1485 C SER A 96 -5.838 19.598 3.023 1.00 0.00 C ATOM 1486 O SER A 96 -5.910 18.445 2.598 1.00 0.00 O ATOM 1487 CB SER A 96 -7.457 20.899 1.629 1.00 0.00 C ATOM 1488 OG SER A 96 -8.254 21.532 2.616 1.00 0.00 O ATOM 0 H SER A 96 -5.553 20.255 0.108 1.00 0.00 H new ATOM 0 HA SER A 96 -5.729 21.696 2.628 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.508 21.464 0.698 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.852 19.905 1.421 1.00 0.00 H new ATOM 0 HG SER A 96 -9.180 21.592 2.300 1.00 0.00 H new ATOM 1494 N SER A 97 -5.618 19.884 4.302 1.00 0.00 N ATOM 1495 CA SER A 97 -5.440 18.837 5.301 1.00 0.00 C ATOM 1496 C SER A 97 -6.762 18.516 5.992 1.00 0.00 C ATOM 1497 O SER A 97 -7.639 19.371 6.107 1.00 0.00 O ATOM 1498 CB SER A 97 -4.400 19.263 6.338 1.00 0.00 C ATOM 1499 OG SER A 97 -3.107 19.340 5.762 1.00 0.00 O ATOM 0 H SER A 97 -5.559 20.833 4.671 1.00 0.00 H new ATOM 0 HA SER A 97 -5.088 17.940 4.792 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.674 20.232 6.755 1.00 0.00 H new ATOM 0 HB3 SER A 97 -4.392 18.551 7.163 1.00 0.00 H new ATOM 0 HG SER A 97 -2.461 19.616 6.445 1.00 0.00 H new ATOM 1505 N GLY A 98 -6.897 17.275 6.452 1.00 0.00 N ATOM 1506 CA GLY A 98 -8.113 16.862 7.125 1.00 0.00 C ATOM 1507 C GLY A 98 -8.059 17.103 8.621 1.00 0.00 C ATOM 1508 O GLY A 98 -6.997 17.394 9.171 1.00 0.00 O ATOM 0 H GLY A 98 -6.185 16.549 6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.960 17.404 6.703 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.287 15.802 6.937 1.00 0.00 H new TER 1512 GLY A 98