USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1049 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 999 COA H3B : A 999 COA C3B : A 999 COA O3B :(H bumps) USER MOD Set 1.1: A 97 MET CE :methyl -170:sc= -0.187 (180deg=-0.427) USER MOD Set 1.2: A 108 MET CE :methyl -160:sc= -0.127 (180deg=-1.06) USER MOD Set 1.3: A 112 MET CE :methyl -136:sc= -0.252 (180deg=-0.287) USER MOD Set 2.1: A 40 TYR OH : rot -106:sc= 0.354 USER MOD Set 2.2: A 88 ASN : amide:sc= 1.04 K(o=2.6,f=0.69) USER MOD Set 2.3: A 89 ASN : amide:sc= 1.24 K(o=2.6,f=0.2) USER MOD Set 3.1: A 37 HIS : no HD1:sc= -0.336 X(o=0.95,f=1.3) USER MOD Set 3.2: A 55 THR OG1 : rot 116:sc= 1.28 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -142:sc= 1.27 (180deg=0.3) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -76:sc= 1.3 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.0111 K(o=-0.011,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ -169:sc= -0.022 (180deg=-0.167) USER MOD Single : A 26 TYR OH : rot -141:sc= 0.882 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0605 USER MOD Single : A 30 SER OG : rot 180:sc= -0.371 USER MOD Single : A 32 GLN : amide:sc= 1.09 K(o=1.1,f=-0.41) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 71:sc= -0.596 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 80 TYR OH : rot -143:sc= 1.3 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 31:sc= 1.2 USER MOD Single : A 109 THR OG1 : rot 84:sc= 1.28 USER MOD Single : A 113 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 34:sc= 0.294 USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 121 GLN : amide:sc= -0.0242 K(o=-0.024,f=-1.2!) USER MOD Single : A 126 LYS NZ :NH3+ 156:sc= 1.3 (180deg=1.19) USER MOD Single : A 127 CYS SG : rot 180:sc= 0 USER MOD Single : A 999 COA O2B : rot 180:sc= 0 USER MOD Single : A 999 COA OAP : rot 180:sc= 0 USER MOD Single : A 999 COA S1P : rot 140:sc= 0.234 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 95.649 -20.369 1.131 1.00 0.00 N ATOM 2 CA MET A 1 95.936 -19.082 0.458 1.00 0.00 C ATOM 3 C MET A 1 95.859 -17.939 1.466 1.00 0.00 C ATOM 4 O MET A 1 94.815 -17.691 2.071 1.00 0.00 O ATOM 5 CB MET A 1 94.978 -18.843 -0.724 1.00 0.00 C ATOM 6 CG MET A 1 93.506 -18.692 -0.346 1.00 0.00 C ATOM 7 SD MET A 1 92.791 -20.193 0.350 1.00 0.00 S ATOM 8 CE MET A 1 91.113 -19.647 0.662 1.00 0.00 C ATOM 0 H1 MET A 1 96.265 -21.110 0.740 1.00 0.00 H new ATOM 0 H2 MET A 1 95.826 -20.274 2.151 1.00 0.00 H new ATOM 0 H3 MET A 1 94.654 -20.628 0.975 1.00 0.00 H new ATOM 0 HA MET A 1 96.947 -19.123 0.052 1.00 0.00 H new ATOM 0 HB2 MET A 1 95.295 -17.944 -1.252 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.074 -19.674 -1.423 1.00 0.00 H new ATOM 0 HG2 MET A 1 93.405 -17.881 0.375 1.00 0.00 H new ATOM 0 HG3 MET A 1 92.938 -18.404 -1.231 1.00 0.00 H new ATOM 0 HE1 MET A 1 90.539 -20.466 1.095 1.00 0.00 H new ATOM 0 HE2 MET A 1 91.127 -18.806 1.356 1.00 0.00 H new ATOM 0 HE3 MET A 1 90.651 -19.336 -0.275 1.00 0.00 H new ATOM 20 N LYS A 2 96.980 -17.267 1.667 1.00 0.00 N ATOM 21 CA LYS A 2 97.056 -16.182 2.636 1.00 0.00 C ATOM 22 C LYS A 2 97.485 -14.890 1.963 1.00 0.00 C ATOM 23 O LYS A 2 98.150 -14.908 0.924 1.00 0.00 O ATOM 24 CB LYS A 2 98.051 -16.522 3.749 1.00 0.00 C ATOM 25 CG LYS A 2 97.695 -17.769 4.537 1.00 0.00 C ATOM 26 CD LYS A 2 98.750 -18.075 5.586 1.00 0.00 C ATOM 27 CE LYS A 2 98.447 -19.371 6.312 1.00 0.00 C ATOM 28 NZ LYS A 2 99.489 -19.712 7.313 1.00 0.00 N ATOM 0 H LYS A 2 97.852 -17.453 1.172 1.00 0.00 H new ATOM 0 HA LYS A 2 96.063 -16.051 3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 2 99.040 -16.652 3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 2 98.115 -15.677 4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 2 96.727 -17.634 5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 2 97.597 -18.616 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 2 99.729 -18.142 5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 2 98.800 -17.257 6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 2 97.481 -19.289 6.810 1.00 0.00 H new ATOM 0 HE3 LYS A 2 98.364 -20.180 5.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 99.239 -20.605 7.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 100.407 -19.817 6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 99.551 -18.953 8.021 1.00 0.00 H new ATOM 42 N LEU A 3 97.114 -13.772 2.563 1.00 0.00 N ATOM 43 CA LEU A 3 97.588 -12.483 2.100 1.00 0.00 C ATOM 44 C LEU A 3 98.928 -12.199 2.759 1.00 0.00 C ATOM 45 O LEU A 3 98.994 -11.776 3.914 1.00 0.00 O ATOM 46 CB LEU A 3 96.580 -11.375 2.428 1.00 0.00 C ATOM 47 CG LEU A 3 96.947 -9.988 1.895 1.00 0.00 C ATOM 48 CD1 LEU A 3 97.025 -10.003 0.377 1.00 0.00 C ATOM 49 CD2 LEU A 3 95.942 -8.954 2.370 1.00 0.00 C ATOM 0 H LEU A 3 96.489 -13.732 3.368 1.00 0.00 H new ATOM 0 HA LEU A 3 97.703 -12.505 1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 3 95.608 -11.658 2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 3 96.469 -11.314 3.511 1.00 0.00 H new ATOM 0 HG LEU A 3 97.928 -9.717 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 3 97.287 -9.008 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 3 97.785 -10.716 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 3 96.059 -10.295 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 3 96.218 -7.973 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 3 94.948 -9.220 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 3 95.937 -8.925 3.460 1.00 0.00 H new ATOM 61 N THR A 4 99.993 -12.471 2.031 1.00 0.00 N ATOM 62 CA THR A 4 101.329 -12.361 2.575 1.00 0.00 C ATOM 63 C THR A 4 101.857 -10.946 2.394 1.00 0.00 C ATOM 64 O THR A 4 102.450 -10.613 1.369 1.00 0.00 O ATOM 65 CB THR A 4 102.267 -13.374 1.894 1.00 0.00 C ATOM 66 OG1 THR A 4 101.635 -14.663 1.871 1.00 0.00 O ATOM 67 CG2 THR A 4 103.596 -13.471 2.628 1.00 0.00 C ATOM 0 H THR A 4 99.957 -12.771 1.057 1.00 0.00 H new ATOM 0 HA THR A 4 101.292 -12.584 3.641 1.00 0.00 H new ATOM 0 HB THR A 4 102.464 -13.034 0.877 1.00 0.00 H new ATOM 0 HG1 THR A 4 102.228 -15.311 1.437 1.00 0.00 H new ATOM 0 HG21 THR A 4 104.238 -14.194 2.124 1.00 0.00 H new ATOM 0 HG22 THR A 4 104.082 -12.495 2.632 1.00 0.00 H new ATOM 0 HG23 THR A 4 103.422 -13.794 3.655 1.00 0.00 H new ATOM 75 N ILE A 5 101.603 -10.099 3.374 1.00 0.00 N ATOM 76 CA ILE A 5 102.056 -8.729 3.304 1.00 0.00 C ATOM 77 C ILE A 5 103.373 -8.558 4.045 1.00 0.00 C ATOM 78 O ILE A 5 103.532 -8.999 5.187 1.00 0.00 O ATOM 79 CB ILE A 5 100.995 -7.739 3.835 1.00 0.00 C ATOM 80 CG1 ILE A 5 101.524 -6.308 3.765 1.00 0.00 C ATOM 81 CG2 ILE A 5 100.574 -8.087 5.255 1.00 0.00 C ATOM 82 CD1 ILE A 5 100.436 -5.271 3.873 1.00 0.00 C ATOM 0 H ILE A 5 101.088 -10.337 4.222 1.00 0.00 H new ATOM 0 HA ILE A 5 102.217 -8.495 2.252 1.00 0.00 H new ATOM 0 HB ILE A 5 100.112 -7.818 3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 5 102.246 -6.154 4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 5 102.058 -6.170 2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 5 99.827 -7.371 5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 5 100.150 -9.091 5.273 1.00 0.00 H new ATOM 0 HG23 ILE A 5 101.443 -8.048 5.912 1.00 0.00 H new ATOM 0 HD11 ILE A 5 100.876 -4.275 3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 5 99.727 -5.401 3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 5 99.918 -5.385 4.825 1.00 0.00 H new ATOM 94 N ILE A 6 104.327 -7.951 3.366 1.00 0.00 N ATOM 95 CA ILE A 6 105.659 -7.762 3.905 1.00 0.00 C ATOM 96 C ILE A 6 106.056 -6.302 3.764 1.00 0.00 C ATOM 97 O ILE A 6 105.545 -5.600 2.893 1.00 0.00 O ATOM 98 CB ILE A 6 106.696 -8.624 3.150 1.00 0.00 C ATOM 99 CG1 ILE A 6 106.099 -9.984 2.777 1.00 0.00 C ATOM 100 CG2 ILE A 6 107.951 -8.814 3.995 1.00 0.00 C ATOM 101 CD1 ILE A 6 106.911 -10.738 1.749 1.00 0.00 C ATOM 0 H ILE A 6 104.200 -7.575 2.426 1.00 0.00 H new ATOM 0 HA ILE A 6 105.644 -8.062 4.953 1.00 0.00 H new ATOM 0 HB ILE A 6 106.969 -8.102 2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 6 106.012 -10.593 3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 6 105.090 -9.836 2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 6 108.670 -9.423 3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 6 108.392 -7.842 4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 6 107.689 -9.313 4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 6 106.429 -11.692 1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 6 106.977 -10.149 0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 6 107.913 -10.918 2.138 1.00 0.00 H new ATOM 113 N ARG A 7 106.951 -5.844 4.616 1.00 0.00 N ATOM 114 CA ARG A 7 107.492 -4.506 4.476 1.00 0.00 C ATOM 115 C ARG A 7 108.519 -4.504 3.347 1.00 0.00 C ATOM 116 O ARG A 7 109.555 -5.164 3.432 1.00 0.00 O ATOM 117 CB ARG A 7 108.105 -4.022 5.796 1.00 0.00 C ATOM 118 CG ARG A 7 109.171 -4.944 6.359 1.00 0.00 C ATOM 119 CD ARG A 7 109.637 -4.489 7.728 1.00 0.00 C ATOM 120 NE ARG A 7 110.736 -5.312 8.219 1.00 0.00 N ATOM 121 CZ ARG A 7 110.631 -6.173 9.231 1.00 0.00 C ATOM 122 NH1 ARG A 7 109.477 -6.311 9.878 1.00 0.00 N ATOM 123 NH2 ARG A 7 111.680 -6.893 9.598 1.00 0.00 N ATOM 0 H ARG A 7 107.317 -6.373 5.407 1.00 0.00 H new ATOM 0 HA ARG A 7 106.690 -3.811 4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 7 108.539 -3.034 5.642 1.00 0.00 H new ATOM 0 HB3 ARG A 7 107.310 -3.910 6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 7 108.777 -5.958 6.427 1.00 0.00 H new ATOM 0 HG3 ARG A 7 110.021 -4.977 5.677 1.00 0.00 H new ATOM 0 HD2 ARG A 7 109.955 -3.448 7.678 1.00 0.00 H new ATOM 0 HD3 ARG A 7 108.805 -4.535 8.431 1.00 0.00 H new ATOM 0 HE ARG A 7 111.642 -5.223 7.759 1.00 0.00 H new ATOM 0 HH11 ARG A 7 108.667 -5.757 9.600 1.00 0.00 H new ATOM 0 HH12 ARG A 7 109.402 -6.971 10.652 1.00 0.00 H new ATOM 0 HH21 ARG A 7 112.568 -6.788 9.106 1.00 0.00 H new ATOM 0 HH22 ARG A 7 111.600 -7.552 10.372 1.00 0.00 H new ATOM 137 N LEU A 8 108.202 -3.793 2.280 1.00 0.00 N ATOM 138 CA LEU A 8 109.029 -3.789 1.088 1.00 0.00 C ATOM 139 C LEU A 8 110.239 -2.894 1.298 1.00 0.00 C ATOM 140 O LEU A 8 110.143 -1.668 1.225 1.00 0.00 O ATOM 141 CB LEU A 8 108.204 -3.323 -0.112 1.00 0.00 C ATOM 142 CG LEU A 8 108.880 -3.457 -1.477 1.00 0.00 C ATOM 143 CD1 LEU A 8 109.267 -4.900 -1.750 1.00 0.00 C ATOM 144 CD2 LEU A 8 107.956 -2.944 -2.568 1.00 0.00 C ATOM 0 H LEU A 8 107.370 -3.206 2.215 1.00 0.00 H new ATOM 0 HA LEU A 8 109.385 -4.800 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 8 107.273 -3.890 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 8 107.937 -2.277 0.039 1.00 0.00 H new ATOM 0 HG LEU A 8 109.790 -2.857 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 8 109.746 -4.970 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 8 109.959 -5.243 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 8 108.374 -5.525 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 8 108.446 -3.044 -3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 8 107.034 -3.525 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 8 107.724 -1.895 -2.385 1.00 0.00 H new ATOM 156 N GLU A 9 111.367 -3.520 1.585 1.00 0.00 N ATOM 157 CA GLU A 9 112.585 -2.795 1.904 1.00 0.00 C ATOM 158 C GLU A 9 113.647 -3.017 0.832 1.00 0.00 C ATOM 159 O GLU A 9 114.598 -2.245 0.716 1.00 0.00 O ATOM 160 CB GLU A 9 113.112 -3.236 3.272 1.00 0.00 C ATOM 161 CG GLU A 9 112.102 -3.059 4.395 1.00 0.00 C ATOM 162 CD GLU A 9 112.644 -3.471 5.748 1.00 0.00 C ATOM 163 OE1 GLU A 9 112.636 -4.680 6.058 1.00 0.00 O ATOM 164 OE2 GLU A 9 113.081 -2.586 6.510 1.00 0.00 O ATOM 0 H GLU A 9 111.465 -4.535 1.604 1.00 0.00 H new ATOM 0 HA GLU A 9 112.354 -1.730 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 9 113.405 -4.285 3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 9 114.010 -2.665 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 9 111.792 -2.015 4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 9 111.212 -3.647 4.172 1.00 0.00 H new ATOM 171 N LYS A 10 113.478 -4.070 0.049 1.00 0.00 N ATOM 172 CA LYS A 10 114.419 -4.390 -1.013 1.00 0.00 C ATOM 173 C LYS A 10 113.748 -4.261 -2.372 1.00 0.00 C ATOM 174 O LYS A 10 112.829 -5.014 -2.697 1.00 0.00 O ATOM 175 CB LYS A 10 114.978 -5.801 -0.820 1.00 0.00 C ATOM 176 CG LYS A 10 115.800 -5.948 0.449 1.00 0.00 C ATOM 177 CD LYS A 10 116.278 -7.374 0.650 1.00 0.00 C ATOM 178 CE LYS A 10 117.173 -7.487 1.873 1.00 0.00 C ATOM 179 NZ LYS A 10 117.559 -8.893 2.153 1.00 0.00 N ATOM 0 H LYS A 10 112.696 -4.720 0.129 1.00 0.00 H new ATOM 0 HA LYS A 10 115.247 -3.682 -0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 10 114.152 -6.512 -0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 10 115.597 -6.061 -1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 10 116.660 -5.280 0.404 1.00 0.00 H new ATOM 0 HG3 LYS A 10 115.202 -5.641 1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 10 115.419 -8.036 0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 10 116.822 -7.706 -0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 10 118.071 -6.888 1.721 1.00 0.00 H new ATOM 0 HE3 LYS A 10 116.657 -7.074 2.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 118.169 -8.924 2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 116.704 -9.460 2.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 118.075 -9.280 1.337 1.00 0.00 H new ATOM 193 N PHE A 11 114.207 -3.295 -3.155 1.00 0.00 N ATOM 194 CA PHE A 11 113.616 -3.010 -4.453 1.00 0.00 C ATOM 195 C PHE A 11 114.541 -3.461 -5.574 1.00 0.00 C ATOM 196 O PHE A 11 115.520 -2.783 -5.886 1.00 0.00 O ATOM 197 CB PHE A 11 113.347 -1.508 -4.605 1.00 0.00 C ATOM 198 CG PHE A 11 112.461 -0.920 -3.539 1.00 0.00 C ATOM 199 CD1 PHE A 11 113.002 -0.430 -2.359 1.00 0.00 C ATOM 200 CD2 PHE A 11 111.091 -0.843 -3.725 1.00 0.00 C ATOM 201 CE1 PHE A 11 112.191 0.118 -1.383 1.00 0.00 C ATOM 202 CE2 PHE A 11 110.276 -0.293 -2.752 1.00 0.00 C ATOM 203 CZ PHE A 11 110.827 0.189 -1.582 1.00 0.00 C ATOM 0 H PHE A 11 114.993 -2.692 -2.911 1.00 0.00 H new ATOM 0 HA PHE A 11 112.675 -3.556 -4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 11 114.300 -0.979 -4.600 1.00 0.00 H new ATOM 0 HB3 PHE A 11 112.889 -1.331 -5.578 1.00 0.00 H new ATOM 0 HD1 PHE A 11 114.069 -0.477 -2.201 1.00 0.00 H new ATOM 0 HD2 PHE A 11 110.654 -1.216 -4.639 1.00 0.00 H new ATOM 0 HE1 PHE A 11 112.624 0.490 -0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 11 109.209 -0.241 -2.908 1.00 0.00 H new ATOM 0 HZ PHE A 11 110.192 0.621 -0.823 1.00 0.00 H new ATOM 213 N SER A 12 114.246 -4.604 -6.172 1.00 0.00 N ATOM 214 CA SER A 12 115.021 -5.065 -7.309 1.00 0.00 C ATOM 215 C SER A 12 114.481 -4.425 -8.583 1.00 0.00 C ATOM 216 O SER A 12 113.430 -3.777 -8.557 1.00 0.00 O ATOM 217 CB SER A 12 114.978 -6.592 -7.415 1.00 0.00 C ATOM 218 OG SER A 12 113.657 -7.059 -7.633 1.00 0.00 O ATOM 0 H SER A 12 113.484 -5.222 -5.892 1.00 0.00 H new ATOM 0 HA SER A 12 116.061 -4.770 -7.171 1.00 0.00 H new ATOM 0 HB2 SER A 12 115.621 -6.920 -8.232 1.00 0.00 H new ATOM 0 HB3 SER A 12 115.375 -7.033 -6.501 1.00 0.00 H new ATOM 0 HG SER A 12 113.151 -7.011 -6.795 1.00 0.00 H new ATOM 224 N ASP A 13 115.191 -4.603 -9.691 1.00 0.00 N ATOM 225 CA ASP A 13 114.755 -4.051 -10.971 1.00 0.00 C ATOM 226 C ASP A 13 113.394 -4.619 -11.364 1.00 0.00 C ATOM 227 O ASP A 13 112.588 -3.934 -11.990 1.00 0.00 O ATOM 228 CB ASP A 13 115.789 -4.325 -12.071 1.00 0.00 C ATOM 229 CG ASP A 13 115.956 -5.799 -12.377 1.00 0.00 C ATOM 230 OD1 ASP A 13 116.668 -6.495 -11.621 1.00 0.00 O ATOM 231 OD2 ASP A 13 115.382 -6.275 -13.373 1.00 0.00 O ATOM 0 H ASP A 13 116.068 -5.123 -9.731 1.00 0.00 H new ATOM 0 HA ASP A 13 114.661 -2.971 -10.857 1.00 0.00 H new ATOM 0 HB2 ASP A 13 115.490 -3.803 -12.980 1.00 0.00 H new ATOM 0 HB3 ASP A 13 116.751 -3.912 -11.768 1.00 0.00 H new ATOM 236 N GLN A 14 113.134 -5.863 -10.971 1.00 0.00 N ATOM 237 CA GLN A 14 111.845 -6.490 -11.230 1.00 0.00 C ATOM 238 C GLN A 14 110.746 -5.804 -10.429 1.00 0.00 C ATOM 239 O GLN A 14 109.729 -5.395 -10.989 1.00 0.00 O ATOM 240 CB GLN A 14 111.892 -7.984 -10.899 1.00 0.00 C ATOM 241 CG GLN A 14 110.540 -8.676 -10.985 1.00 0.00 C ATOM 242 CD GLN A 14 110.657 -10.187 -10.960 1.00 0.00 C ATOM 243 OE1 GLN A 14 110.659 -10.808 -9.896 1.00 0.00 O ATOM 244 NE2 GLN A 14 110.734 -10.785 -12.138 1.00 0.00 N ATOM 0 H GLN A 14 113.799 -6.455 -10.473 1.00 0.00 H new ATOM 0 HA GLN A 14 111.621 -6.380 -12.291 1.00 0.00 H new ATOM 0 HB2 GLN A 14 112.585 -8.476 -11.581 1.00 0.00 H new ATOM 0 HB3 GLN A 14 112.291 -8.111 -9.893 1.00 0.00 H new ATOM 0 HG2 GLN A 14 109.915 -8.350 -10.154 1.00 0.00 H new ATOM 0 HG3 GLN A 14 110.036 -8.369 -11.902 1.00 0.00 H new ATOM 0 HE21 GLN A 14 110.729 -10.229 -12.993 1.00 0.00 H new ATOM 0 HE22 GLN A 14 110.798 -11.802 -12.191 1.00 0.00 H new ATOM 253 N ASP A 15 110.972 -5.655 -9.127 1.00 0.00 N ATOM 254 CA ASP A 15 109.995 -5.014 -8.246 1.00 0.00 C ATOM 255 C ASP A 15 109.753 -3.584 -8.693 1.00 0.00 C ATOM 256 O ASP A 15 108.631 -3.081 -8.627 1.00 0.00 O ATOM 257 CB ASP A 15 110.469 -5.013 -6.790 1.00 0.00 C ATOM 258 CG ASP A 15 110.806 -6.395 -6.279 1.00 0.00 C ATOM 259 OD1 ASP A 15 109.947 -7.299 -6.364 1.00 0.00 O ATOM 260 OD2 ASP A 15 111.941 -6.588 -5.798 1.00 0.00 O ATOM 0 H ASP A 15 111.821 -5.968 -8.657 1.00 0.00 H new ATOM 0 HA ASP A 15 109.069 -5.586 -8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 15 111.347 -4.374 -6.700 1.00 0.00 H new ATOM 0 HB3 ASP A 15 109.692 -4.578 -6.161 1.00 0.00 H new ATOM 265 N ARG A 16 110.819 -2.938 -9.152 1.00 0.00 N ATOM 266 CA ARG A 16 110.736 -1.591 -9.690 1.00 0.00 C ATOM 267 C ARG A 16 109.712 -1.538 -10.818 1.00 0.00 C ATOM 268 O ARG A 16 108.852 -0.664 -10.840 1.00 0.00 O ATOM 269 CB ARG A 16 112.109 -1.148 -10.200 1.00 0.00 C ATOM 270 CG ARG A 16 112.137 0.274 -10.737 1.00 0.00 C ATOM 271 CD ARG A 16 113.508 0.638 -11.285 1.00 0.00 C ATOM 272 NE ARG A 16 114.557 0.549 -10.269 1.00 0.00 N ATOM 273 CZ ARG A 16 115.684 1.266 -10.297 1.00 0.00 C ATOM 274 NH1 ARG A 16 115.919 2.106 -11.296 1.00 0.00 N ATOM 275 NH2 ARG A 16 116.589 1.131 -9.335 1.00 0.00 N ATOM 0 H ARG A 16 111.759 -3.333 -9.161 1.00 0.00 H new ATOM 0 HA ARG A 16 110.418 -0.912 -8.899 1.00 0.00 H new ATOM 0 HB2 ARG A 16 112.832 -1.234 -9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 16 112.431 -1.830 -10.987 1.00 0.00 H new ATOM 0 HG2 ARG A 16 111.390 0.381 -11.523 1.00 0.00 H new ATOM 0 HG3 ARG A 16 111.866 0.969 -9.942 1.00 0.00 H new ATOM 0 HD2 ARG A 16 113.752 -0.025 -12.115 1.00 0.00 H new ATOM 0 HD3 ARG A 16 113.479 1.651 -11.685 1.00 0.00 H new ATOM 0 HE ARG A 16 114.420 -0.099 -9.493 1.00 0.00 H new ATOM 0 HH11 ARG A 16 115.238 2.207 -12.048 1.00 0.00 H new ATOM 0 HH12 ARG A 16 116.781 2.651 -11.312 1.00 0.00 H new ATOM 0 HH21 ARG A 16 116.426 0.477 -8.569 1.00 0.00 H new ATOM 0 HH22 ARG A 16 117.448 1.681 -9.362 1.00 0.00 H new ATOM 289 N ILE A 17 109.798 -2.498 -11.733 1.00 0.00 N ATOM 290 CA ILE A 17 108.880 -2.565 -12.862 1.00 0.00 C ATOM 291 C ILE A 17 107.453 -2.851 -12.389 1.00 0.00 C ATOM 292 O ILE A 17 106.504 -2.222 -12.855 1.00 0.00 O ATOM 293 CB ILE A 17 109.312 -3.643 -13.884 1.00 0.00 C ATOM 294 CG1 ILE A 17 110.719 -3.345 -14.410 1.00 0.00 C ATOM 295 CG2 ILE A 17 108.320 -3.712 -15.039 1.00 0.00 C ATOM 296 CD1 ILE A 17 111.260 -4.411 -15.340 1.00 0.00 C ATOM 0 H ILE A 17 110.496 -3.241 -11.714 1.00 0.00 H new ATOM 0 HA ILE A 17 108.907 -1.593 -13.354 1.00 0.00 H new ATOM 0 HB ILE A 17 109.325 -4.610 -13.381 1.00 0.00 H new ATOM 0 HG12 ILE A 17 110.706 -2.390 -14.935 1.00 0.00 H new ATOM 0 HG13 ILE A 17 111.398 -3.235 -13.564 1.00 0.00 H new ATOM 0 HG21 ILE A 17 108.640 -4.476 -15.748 1.00 0.00 H new ATOM 0 HG22 ILE A 17 107.332 -3.964 -14.655 1.00 0.00 H new ATOM 0 HG23 ILE A 17 108.278 -2.745 -15.541 1.00 0.00 H new ATOM 0 HD11 ILE A 17 112.260 -4.131 -15.672 1.00 0.00 H new ATOM 0 HD12 ILE A 17 111.306 -5.364 -14.813 1.00 0.00 H new ATOM 0 HD13 ILE A 17 110.604 -4.506 -16.205 1.00 0.00 H new ATOM 308 N ASP A 18 107.309 -3.792 -11.456 1.00 0.00 N ATOM 309 CA ASP A 18 105.991 -4.141 -10.920 1.00 0.00 C ATOM 310 C ASP A 18 105.320 -2.928 -10.293 1.00 0.00 C ATOM 311 O ASP A 18 104.191 -2.586 -10.640 1.00 0.00 O ATOM 312 CB ASP A 18 106.086 -5.265 -9.879 1.00 0.00 C ATOM 313 CG ASP A 18 106.300 -6.631 -10.498 1.00 0.00 C ATOM 314 OD1 ASP A 18 105.340 -7.185 -11.068 1.00 0.00 O ATOM 315 OD2 ASP A 18 107.429 -7.163 -10.415 1.00 0.00 O ATOM 0 H ASP A 18 108.082 -4.324 -11.057 1.00 0.00 H new ATOM 0 HA ASP A 18 105.389 -4.492 -11.758 1.00 0.00 H new ATOM 0 HB2 ASP A 18 106.907 -5.050 -9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 18 105.172 -5.281 -9.285 1.00 0.00 H new ATOM 320 N LEU A 19 106.029 -2.270 -9.384 1.00 0.00 N ATOM 321 CA LEU A 19 105.492 -1.110 -8.677 1.00 0.00 C ATOM 322 C LEU A 19 105.228 0.047 -9.631 1.00 0.00 C ATOM 323 O LEU A 19 104.229 0.756 -9.497 1.00 0.00 O ATOM 324 CB LEU A 19 106.460 -0.665 -7.583 1.00 0.00 C ATOM 325 CG LEU A 19 106.699 -1.691 -6.478 1.00 0.00 C ATOM 326 CD1 LEU A 19 107.789 -1.211 -5.539 1.00 0.00 C ATOM 327 CD2 LEU A 19 105.412 -1.959 -5.711 1.00 0.00 C ATOM 0 H LEU A 19 106.981 -2.520 -9.117 1.00 0.00 H new ATOM 0 HA LEU A 19 104.544 -1.404 -8.226 1.00 0.00 H new ATOM 0 HB2 LEU A 19 107.417 -0.419 -8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 19 106.079 0.251 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 19 107.025 -2.625 -6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 19 107.948 -1.953 -4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 19 108.714 -1.069 -6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 19 107.489 -0.266 -5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 19 105.601 -2.693 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 19 105.056 -1.032 -5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 19 104.655 -2.345 -6.394 1.00 0.00 H new ATOM 339 N GLN A 20 106.116 0.221 -10.603 1.00 0.00 N ATOM 340 CA GLN A 20 105.995 1.306 -11.569 1.00 0.00 C ATOM 341 C GLN A 20 104.882 1.009 -12.573 1.00 0.00 C ATOM 342 O GLN A 20 104.479 1.874 -13.349 1.00 0.00 O ATOM 343 CB GLN A 20 107.330 1.512 -12.291 1.00 0.00 C ATOM 344 CG GLN A 20 107.424 2.820 -13.061 1.00 0.00 C ATOM 345 CD GLN A 20 108.791 3.028 -13.682 1.00 0.00 C ATOM 346 OE1 GLN A 20 109.803 2.555 -13.165 1.00 0.00 O ATOM 347 NE2 GLN A 20 108.835 3.748 -14.792 1.00 0.00 N ATOM 0 H GLN A 20 106.930 -0.378 -10.743 1.00 0.00 H new ATOM 0 HA GLN A 20 105.737 2.222 -11.038 1.00 0.00 H new ATOM 0 HB2 GLN A 20 108.136 1.475 -11.559 1.00 0.00 H new ATOM 0 HB3 GLN A 20 107.489 0.684 -12.982 1.00 0.00 H new ATOM 0 HG2 GLN A 20 106.666 2.832 -13.844 1.00 0.00 H new ATOM 0 HG3 GLN A 20 107.203 3.650 -12.390 1.00 0.00 H new ATOM 0 HE21 GLN A 20 107.975 4.123 -15.191 1.00 0.00 H new ATOM 0 HE22 GLN A 20 109.729 3.927 -15.248 1.00 0.00 H new ATOM 356 N LYS A 21 104.394 -0.224 -12.564 1.00 0.00 N ATOM 357 CA LYS A 21 103.262 -0.585 -13.397 1.00 0.00 C ATOM 358 C LYS A 21 101.974 -0.550 -12.576 1.00 0.00 C ATOM 359 O LYS A 21 100.889 -0.322 -13.115 1.00 0.00 O ATOM 360 CB LYS A 21 103.458 -1.964 -14.027 1.00 0.00 C ATOM 361 CG LYS A 21 102.506 -2.215 -15.178 1.00 0.00 C ATOM 362 CD LYS A 21 102.709 -3.578 -15.813 1.00 0.00 C ATOM 363 CE LYS A 21 101.878 -3.710 -17.079 1.00 0.00 C ATOM 364 NZ LYS A 21 100.428 -3.498 -16.822 1.00 0.00 N ATOM 0 H LYS A 21 104.763 -0.984 -11.993 1.00 0.00 H new ATOM 0 HA LYS A 21 103.187 0.143 -14.205 1.00 0.00 H new ATOM 0 HB2 LYS A 21 104.485 -2.055 -14.382 1.00 0.00 H new ATOM 0 HB3 LYS A 21 103.314 -2.731 -13.266 1.00 0.00 H new ATOM 0 HG2 LYS A 21 101.479 -2.133 -14.821 1.00 0.00 H new ATOM 0 HG3 LYS A 21 102.643 -1.442 -15.934 1.00 0.00 H new ATOM 0 HD2 LYS A 21 103.764 -3.722 -16.048 1.00 0.00 H new ATOM 0 HD3 LYS A 21 102.430 -4.359 -15.106 1.00 0.00 H new ATOM 0 HE2 LYS A 21 102.225 -2.986 -17.817 1.00 0.00 H new ATOM 0 HE3 LYS A 21 102.028 -4.700 -17.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 99.882 -3.778 -17.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 100.132 -4.075 -16.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 100.255 -2.493 -16.615 1.00 0.00 H new ATOM 378 N ILE A 22 102.101 -0.791 -11.272 1.00 0.00 N ATOM 379 CA ILE A 22 100.983 -0.622 -10.353 1.00 0.00 C ATOM 380 C ILE A 22 100.602 0.850 -10.305 1.00 0.00 C ATOM 381 O ILE A 22 99.431 1.210 -10.423 1.00 0.00 O ATOM 382 CB ILE A 22 101.321 -1.121 -8.928 1.00 0.00 C ATOM 383 CG1 ILE A 22 101.591 -2.629 -8.944 1.00 0.00 C ATOM 384 CG2 ILE A 22 100.190 -0.792 -7.960 1.00 0.00 C ATOM 385 CD1 ILE A 22 101.979 -3.195 -7.594 1.00 0.00 C ATOM 0 H ILE A 22 102.966 -1.103 -10.831 1.00 0.00 H new ATOM 0 HA ILE A 22 100.149 -1.222 -10.718 1.00 0.00 H new ATOM 0 HB ILE A 22 102.221 -0.609 -8.588 1.00 0.00 H new ATOM 0 HG12 ILE A 22 100.699 -3.144 -9.301 1.00 0.00 H new ATOM 0 HG13 ILE A 22 102.388 -2.838 -9.658 1.00 0.00 H new ATOM 0 HG21 ILE A 22 100.448 -1.151 -6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 22 100.040 0.287 -7.929 1.00 0.00 H new ATOM 0 HG23 ILE A 22 99.273 -1.276 -8.294 1.00 0.00 H new ATOM 0 HD11 ILE A 22 102.154 -4.267 -7.686 1.00 0.00 H new ATOM 0 HD12 ILE A 22 102.889 -2.708 -7.243 1.00 0.00 H new ATOM 0 HD13 ILE A 22 101.174 -3.018 -6.880 1.00 0.00 H new ATOM 397 N TRP A 23 101.606 1.694 -10.131 1.00 0.00 N ATOM 398 CA TRP A 23 101.437 3.123 -10.299 1.00 0.00 C ATOM 399 C TRP A 23 102.134 3.528 -11.593 1.00 0.00 C ATOM 400 O TRP A 23 103.328 3.821 -11.592 1.00 0.00 O ATOM 401 CB TRP A 23 102.021 3.901 -9.117 1.00 0.00 C ATOM 402 CG TRP A 23 101.522 3.449 -7.777 1.00 0.00 C ATOM 403 CD1 TRP A 23 100.251 3.553 -7.294 1.00 0.00 C ATOM 404 CD2 TRP A 23 102.298 2.840 -6.740 1.00 0.00 C ATOM 405 NE1 TRP A 23 100.187 3.039 -6.020 1.00 0.00 N ATOM 406 CE2 TRP A 23 101.432 2.595 -5.658 1.00 0.00 C ATOM 407 CE3 TRP A 23 103.643 2.474 -6.623 1.00 0.00 C ATOM 408 CZ2 TRP A 23 101.870 2.003 -4.474 1.00 0.00 C ATOM 409 CZ3 TRP A 23 104.076 1.888 -5.449 1.00 0.00 C ATOM 410 CH2 TRP A 23 103.191 1.656 -4.389 1.00 0.00 C ATOM 0 H TRP A 23 102.551 1.409 -9.872 1.00 0.00 H new ATOM 0 HA TRP A 23 100.374 3.359 -10.343 1.00 0.00 H new ATOM 0 HB2 TRP A 23 103.107 3.810 -9.137 1.00 0.00 H new ATOM 0 HB3 TRP A 23 101.787 4.958 -9.241 1.00 0.00 H new ATOM 0 HD1 TRP A 23 99.417 3.977 -7.833 1.00 0.00 H new ATOM 0 HE1 TRP A 23 99.350 2.995 -5.439 1.00 0.00 H new ATOM 0 HE3 TRP A 23 104.332 2.647 -7.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 101.191 1.825 -3.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 105.113 1.605 -5.347 1.00 0.00 H new ATOM 0 HH2 TRP A 23 103.559 1.193 -3.485 1.00 0.00 H new ATOM 421 N PRO A 24 101.387 3.545 -12.710 1.00 0.00 N ATOM 422 CA PRO A 24 101.952 3.647 -14.071 1.00 0.00 C ATOM 423 C PRO A 24 102.717 4.943 -14.345 1.00 0.00 C ATOM 424 O PRO A 24 103.276 5.118 -15.429 1.00 0.00 O ATOM 425 CB PRO A 24 100.718 3.564 -14.980 1.00 0.00 C ATOM 426 CG PRO A 24 99.643 2.980 -14.132 1.00 0.00 C ATOM 427 CD PRO A 24 99.920 3.461 -12.741 1.00 0.00 C ATOM 0 HA PRO A 24 102.694 2.865 -14.233 1.00 0.00 H new ATOM 0 HB2 PRO A 24 100.435 4.550 -15.350 1.00 0.00 H new ATOM 0 HB3 PRO A 24 100.913 2.940 -15.852 1.00 0.00 H new ATOM 0 HG2 PRO A 24 98.658 3.304 -14.470 1.00 0.00 H new ATOM 0 HG3 PRO A 24 99.654 1.891 -14.180 1.00 0.00 H new ATOM 0 HD2 PRO A 24 99.456 4.428 -12.548 1.00 0.00 H new ATOM 0 HD3 PRO A 24 99.539 2.769 -11.990 1.00 0.00 H new ATOM 435 N GLU A 25 102.731 5.851 -13.380 1.00 0.00 N ATOM 436 CA GLU A 25 103.454 7.107 -13.524 1.00 0.00 C ATOM 437 C GLU A 25 104.257 7.417 -12.263 1.00 0.00 C ATOM 438 O GLU A 25 104.634 8.564 -12.017 1.00 0.00 O ATOM 439 CB GLU A 25 102.480 8.246 -13.843 1.00 0.00 C ATOM 440 CG GLU A 25 101.890 8.149 -15.241 1.00 0.00 C ATOM 441 CD GLU A 25 100.887 9.240 -15.539 1.00 0.00 C ATOM 442 OE1 GLU A 25 101.307 10.399 -15.749 1.00 0.00 O ATOM 443 OE2 GLU A 25 99.675 8.937 -15.589 1.00 0.00 O ATOM 0 H GLU A 25 102.249 5.742 -12.488 1.00 0.00 H new ATOM 0 HA GLU A 25 104.155 7.010 -14.353 1.00 0.00 H new ATOM 0 HB2 GLU A 25 101.671 8.241 -13.112 1.00 0.00 H new ATOM 0 HB3 GLU A 25 102.998 9.199 -13.738 1.00 0.00 H new ATOM 0 HG2 GLU A 25 102.696 8.195 -15.973 1.00 0.00 H new ATOM 0 HG3 GLU A 25 101.408 7.179 -15.359 1.00 0.00 H new ATOM 450 N TYR A 26 104.533 6.381 -11.480 1.00 0.00 N ATOM 451 CA TYR A 26 105.320 6.522 -10.263 1.00 0.00 C ATOM 452 C TYR A 26 106.802 6.527 -10.610 1.00 0.00 C ATOM 453 O TYR A 26 107.297 5.605 -11.255 1.00 0.00 O ATOM 454 CB TYR A 26 105.005 5.371 -9.301 1.00 0.00 C ATOM 455 CG TYR A 26 105.580 5.525 -7.908 1.00 0.00 C ATOM 456 CD1 TYR A 26 104.899 6.241 -6.930 1.00 0.00 C ATOM 457 CD2 TYR A 26 106.789 4.936 -7.563 1.00 0.00 C ATOM 458 CE1 TYR A 26 105.407 6.366 -5.651 1.00 0.00 C ATOM 459 CE2 TYR A 26 107.305 5.060 -6.288 1.00 0.00 C ATOM 460 CZ TYR A 26 106.610 5.774 -5.335 1.00 0.00 C ATOM 461 OH TYR A 26 107.120 5.890 -4.058 1.00 0.00 O ATOM 0 H TYR A 26 104.221 5.429 -11.669 1.00 0.00 H new ATOM 0 HA TYR A 26 105.066 7.464 -9.777 1.00 0.00 H new ATOM 0 HB2 TYR A 26 103.923 5.270 -9.222 1.00 0.00 H new ATOM 0 HB3 TYR A 26 105.381 4.443 -9.733 1.00 0.00 H new ATOM 0 HD1 TYR A 26 103.956 6.708 -7.174 1.00 0.00 H new ATOM 0 HD2 TYR A 26 107.335 4.371 -8.304 1.00 0.00 H new ATOM 0 HE1 TYR A 26 104.864 6.925 -4.903 1.00 0.00 H new ATOM 0 HE2 TYR A 26 108.249 4.599 -6.038 1.00 0.00 H new ATOM 0 HH TYR A 26 108.092 6.009 -4.103 1.00 0.00 H new ATOM 471 N SER A 27 107.498 7.577 -10.201 1.00 0.00 N ATOM 472 CA SER A 27 108.921 7.698 -10.473 1.00 0.00 C ATOM 473 C SER A 27 109.703 6.589 -9.766 1.00 0.00 C ATOM 474 O SER A 27 109.588 6.420 -8.551 1.00 0.00 O ATOM 475 CB SER A 27 109.417 9.067 -10.009 1.00 0.00 C ATOM 476 OG SER A 27 108.590 10.106 -10.513 1.00 0.00 O ATOM 0 H SER A 27 107.100 8.358 -9.679 1.00 0.00 H new ATOM 0 HA SER A 27 109.082 7.599 -11.546 1.00 0.00 H new ATOM 0 HB2 SER A 27 109.429 9.103 -8.920 1.00 0.00 H new ATOM 0 HB3 SER A 27 110.443 9.219 -10.344 1.00 0.00 H new ATOM 0 HG SER A 27 108.926 10.972 -10.201 1.00 0.00 H new ATOM 482 N PRO A 28 110.508 5.821 -10.516 1.00 0.00 N ATOM 483 CA PRO A 28 111.304 4.718 -9.960 1.00 0.00 C ATOM 484 C PRO A 28 112.283 5.188 -8.885 1.00 0.00 C ATOM 485 O PRO A 28 112.576 4.462 -7.936 1.00 0.00 O ATOM 486 CB PRO A 28 112.064 4.162 -11.169 1.00 0.00 C ATOM 487 CG PRO A 28 111.991 5.230 -12.206 1.00 0.00 C ATOM 488 CD PRO A 28 110.700 5.956 -11.967 1.00 0.00 C ATOM 0 HA PRO A 28 110.672 3.979 -9.467 1.00 0.00 H new ATOM 0 HB2 PRO A 28 113.098 3.934 -10.912 1.00 0.00 H new ATOM 0 HB3 PRO A 28 111.612 3.236 -11.526 1.00 0.00 H new ATOM 0 HG2 PRO A 28 112.840 5.909 -12.126 1.00 0.00 H new ATOM 0 HG3 PRO A 28 112.018 4.802 -13.208 1.00 0.00 H new ATOM 0 HD2 PRO A 28 110.763 7.001 -12.270 1.00 0.00 H new ATOM 0 HD3 PRO A 28 109.877 5.511 -12.526 1.00 0.00 H new ATOM 496 N SER A 29 112.764 6.416 -9.029 1.00 0.00 N ATOM 497 CA SER A 29 113.691 6.996 -8.069 1.00 0.00 C ATOM 498 C SER A 29 112.988 7.317 -6.749 1.00 0.00 C ATOM 499 O SER A 29 113.634 7.577 -5.732 1.00 0.00 O ATOM 500 CB SER A 29 114.317 8.252 -8.669 1.00 0.00 C ATOM 501 OG SER A 29 113.339 9.021 -9.351 1.00 0.00 O ATOM 0 H SER A 29 112.525 7.032 -9.806 1.00 0.00 H new ATOM 0 HA SER A 29 114.476 6.271 -7.852 1.00 0.00 H new ATOM 0 HB2 SER A 29 114.772 8.850 -7.880 1.00 0.00 H new ATOM 0 HB3 SER A 29 115.114 7.974 -9.358 1.00 0.00 H new ATOM 0 HG SER A 29 113.758 9.823 -9.728 1.00 0.00 H new ATOM 507 N SER A 30 111.662 7.281 -6.765 1.00 0.00 N ATOM 508 CA SER A 30 110.877 7.526 -5.567 1.00 0.00 C ATOM 509 C SER A 30 110.658 6.231 -4.789 1.00 0.00 C ATOM 510 O SER A 30 109.939 6.211 -3.788 1.00 0.00 O ATOM 511 CB SER A 30 109.537 8.163 -5.935 1.00 0.00 C ATOM 512 OG SER A 30 109.728 9.405 -6.592 1.00 0.00 O ATOM 0 H SER A 30 111.108 7.084 -7.598 1.00 0.00 H new ATOM 0 HA SER A 30 111.429 8.216 -4.928 1.00 0.00 H new ATOM 0 HB2 SER A 30 108.975 7.489 -6.581 1.00 0.00 H new ATOM 0 HB3 SER A 30 108.941 8.312 -5.034 1.00 0.00 H new ATOM 0 HG SER A 30 108.857 9.792 -6.819 1.00 0.00 H new ATOM 518 N LEU A 31 111.268 5.147 -5.256 1.00 0.00 N ATOM 519 CA LEU A 31 111.230 3.887 -4.532 1.00 0.00 C ATOM 520 C LEU A 31 112.299 3.879 -3.451 1.00 0.00 C ATOM 521 O LEU A 31 113.429 3.440 -3.673 1.00 0.00 O ATOM 522 CB LEU A 31 111.418 2.697 -5.474 1.00 0.00 C ATOM 523 CG LEU A 31 110.250 2.428 -6.423 1.00 0.00 C ATOM 524 CD1 LEU A 31 110.576 1.267 -7.348 1.00 0.00 C ATOM 525 CD2 LEU A 31 108.981 2.138 -5.634 1.00 0.00 C ATOM 0 H LEU A 31 111.793 5.118 -6.130 1.00 0.00 H new ATOM 0 HA LEU A 31 110.248 3.791 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 31 112.317 2.862 -6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 31 111.592 1.803 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 31 110.084 3.318 -7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 31 109.735 1.088 -8.017 1.00 0.00 H new ATOM 0 HD12 LEU A 31 111.462 1.507 -7.935 1.00 0.00 H new ATOM 0 HD13 LEU A 31 110.765 0.372 -6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 31 108.159 1.949 -6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 31 109.136 1.261 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 31 108.738 2.996 -5.007 1.00 0.00 H new ATOM 537 N GLN A 32 111.943 4.409 -2.297 1.00 0.00 N ATOM 538 CA GLN A 32 112.855 4.493 -1.172 1.00 0.00 C ATOM 539 C GLN A 32 112.131 4.093 0.102 1.00 0.00 C ATOM 540 O GLN A 32 111.057 4.620 0.401 1.00 0.00 O ATOM 541 CB GLN A 32 113.405 5.916 -1.041 1.00 0.00 C ATOM 542 CG GLN A 32 114.309 6.118 0.164 1.00 0.00 C ATOM 543 CD GLN A 32 114.759 7.556 0.319 1.00 0.00 C ATOM 544 OE1 GLN A 32 114.913 8.285 -0.664 1.00 0.00 O ATOM 545 NE2 GLN A 32 114.947 7.985 1.555 1.00 0.00 N ATOM 0 H GLN A 32 111.016 4.793 -2.113 1.00 0.00 H new ATOM 0 HA GLN A 32 113.690 3.812 -1.339 1.00 0.00 H new ATOM 0 HB2 GLN A 32 113.960 6.165 -1.945 1.00 0.00 H new ATOM 0 HB3 GLN A 32 112.570 6.613 -0.977 1.00 0.00 H new ATOM 0 HG2 GLN A 32 113.782 5.807 1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 32 115.184 5.475 0.069 1.00 0.00 H new ATOM 0 HE21 GLN A 32 114.809 7.350 2.342 1.00 0.00 H new ATOM 0 HE22 GLN A 32 115.230 8.951 1.722 1.00 0.00 H new ATOM 554 N VAL A 33 112.698 3.157 0.837 1.00 0.00 N ATOM 555 CA VAL A 33 112.099 2.725 2.086 1.00 0.00 C ATOM 556 C VAL A 33 112.894 3.262 3.271 1.00 0.00 C ATOM 557 O VAL A 33 114.124 3.177 3.314 1.00 0.00 O ATOM 558 CB VAL A 33 111.979 1.186 2.173 1.00 0.00 C ATOM 559 CG1 VAL A 33 113.346 0.526 2.163 1.00 0.00 C ATOM 560 CG2 VAL A 33 111.191 0.775 3.410 1.00 0.00 C ATOM 0 H VAL A 33 113.568 2.683 0.594 1.00 0.00 H new ATOM 0 HA VAL A 33 111.089 3.132 2.118 1.00 0.00 H new ATOM 0 HB VAL A 33 111.437 0.844 1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 33 113.228 -0.556 2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 33 113.867 0.782 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 33 113.926 0.878 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 33 111.119 -0.312 3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 33 111.699 1.139 4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 33 110.190 1.203 3.363 1.00 0.00 H new ATOM 570 N ASP A 34 112.181 3.843 4.215 1.00 0.00 N ATOM 571 CA ASP A 34 112.789 4.391 5.414 1.00 0.00 C ATOM 572 C ASP A 34 112.026 3.876 6.618 1.00 0.00 C ATOM 573 O ASP A 34 111.052 3.141 6.466 1.00 0.00 O ATOM 574 CB ASP A 34 112.741 5.927 5.403 1.00 0.00 C ATOM 575 CG ASP A 34 113.267 6.544 4.120 1.00 0.00 C ATOM 576 OD1 ASP A 34 114.504 6.584 3.926 1.00 0.00 O ATOM 577 OD2 ASP A 34 112.441 7.011 3.309 1.00 0.00 O ATOM 0 H ASP A 34 111.167 3.949 4.174 1.00 0.00 H new ATOM 0 HA ASP A 34 113.833 4.082 5.456 1.00 0.00 H new ATOM 0 HB2 ASP A 34 111.712 6.251 5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 34 113.323 6.306 6.243 1.00 0.00 H new ATOM 582 N ASP A 35 112.446 4.259 7.811 1.00 0.00 N ATOM 583 CA ASP A 35 111.665 3.948 8.999 1.00 0.00 C ATOM 584 C ASP A 35 110.613 5.031 9.192 1.00 0.00 C ATOM 585 O ASP A 35 109.714 4.910 10.019 1.00 0.00 O ATOM 586 CB ASP A 35 112.550 3.820 10.245 1.00 0.00 C ATOM 587 CG ASP A 35 113.035 5.152 10.774 1.00 0.00 C ATOM 588 OD1 ASP A 35 113.925 5.757 10.147 1.00 0.00 O ATOM 589 OD2 ASP A 35 112.548 5.583 11.839 1.00 0.00 O ATOM 0 H ASP A 35 113.308 4.777 7.984 1.00 0.00 H new ATOM 0 HA ASP A 35 111.180 2.982 8.858 1.00 0.00 H new ATOM 0 HB2 ASP A 35 111.991 3.308 11.028 1.00 0.00 H new ATOM 0 HB3 ASP A 35 113.411 3.196 10.008 1.00 0.00 H new ATOM 594 N ASN A 36 110.738 6.093 8.406 1.00 0.00 N ATOM 595 CA ASN A 36 109.742 7.154 8.387 1.00 0.00 C ATOM 596 C ASN A 36 108.744 6.901 7.264 1.00 0.00 C ATOM 597 O ASN A 36 107.558 7.201 7.388 1.00 0.00 O ATOM 598 CB ASN A 36 110.403 8.524 8.193 1.00 0.00 C ATOM 599 CG ASN A 36 111.408 8.859 9.281 1.00 0.00 C ATOM 600 OD1 ASN A 36 111.048 9.370 10.342 1.00 0.00 O ATOM 601 ND2 ASN A 36 112.680 8.596 9.017 1.00 0.00 N ATOM 0 H ASN A 36 111.523 6.242 7.772 1.00 0.00 H new ATOM 0 HA ASN A 36 109.223 7.156 9.346 1.00 0.00 H new ATOM 0 HB2 ASN A 36 110.904 8.546 7.225 1.00 0.00 H new ATOM 0 HB3 ASN A 36 109.631 9.293 8.170 1.00 0.00 H new ATOM 0 HD21 ASN A 36 113.400 8.818 9.705 1.00 0.00 H new ATOM 0 HD22 ASN A 36 112.939 8.172 8.126 1.00 0.00 H new ATOM 608 N HIS A 37 109.239 6.340 6.168 1.00 0.00 N ATOM 609 CA HIS A 37 108.398 6.003 5.026 1.00 0.00 C ATOM 610 C HIS A 37 108.475 4.511 4.754 1.00 0.00 C ATOM 611 O HIS A 37 109.442 4.032 4.165 1.00 0.00 O ATOM 612 CB HIS A 37 108.838 6.762 3.769 1.00 0.00 C ATOM 613 CG HIS A 37 108.757 8.251 3.890 1.00 0.00 C ATOM 614 ND1 HIS A 37 109.811 9.085 3.589 1.00 0.00 N ATOM 615 CD2 HIS A 37 107.738 9.055 4.264 1.00 0.00 C ATOM 616 CE1 HIS A 37 109.443 10.338 3.775 1.00 0.00 C ATOM 617 NE2 HIS A 37 108.187 10.349 4.183 1.00 0.00 N ATOM 0 H HIS A 37 110.225 6.108 6.046 1.00 0.00 H new ATOM 0 HA HIS A 37 107.374 6.290 5.267 1.00 0.00 H new ATOM 0 HB2 HIS A 37 109.865 6.484 3.531 1.00 0.00 H new ATOM 0 HB3 HIS A 37 108.219 6.443 2.931 1.00 0.00 H new ATOM 0 HD2 HIS A 37 106.752 8.738 4.570 1.00 0.00 H new ATOM 0 HE1 HIS A 37 110.064 11.208 3.620 1.00 0.00 H new ATOM 0 HE2 HIS A 37 107.641 11.182 4.402 1.00 0.00 H new ATOM 626 N ARG A 38 107.468 3.775 5.186 1.00 0.00 N ATOM 627 CA ARG A 38 107.468 2.333 5.006 1.00 0.00 C ATOM 628 C ARG A 38 106.435 1.932 3.965 1.00 0.00 C ATOM 629 O ARG A 38 105.277 2.346 4.033 1.00 0.00 O ATOM 630 CB ARG A 38 107.171 1.613 6.327 1.00 0.00 C ATOM 631 CG ARG A 38 108.170 1.901 7.439 1.00 0.00 C ATOM 632 CD ARG A 38 107.925 1.000 8.640 1.00 0.00 C ATOM 633 NE ARG A 38 108.809 1.306 9.767 1.00 0.00 N ATOM 634 CZ ARG A 38 109.601 0.412 10.358 1.00 0.00 C ATOM 635 NH1 ARG A 38 109.675 -0.827 9.888 1.00 0.00 N ATOM 636 NH2 ARG A 38 110.325 0.767 11.412 1.00 0.00 N ATOM 0 H ARG A 38 106.645 4.147 5.660 1.00 0.00 H new ATOM 0 HA ARG A 38 108.460 2.039 4.664 1.00 0.00 H new ATOM 0 HB2 ARG A 38 106.175 1.899 6.667 1.00 0.00 H new ATOM 0 HB3 ARG A 38 107.149 0.539 6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 38 109.184 1.752 7.069 1.00 0.00 H new ATOM 0 HG3 ARG A 38 108.092 2.945 7.741 1.00 0.00 H new ATOM 0 HD2 ARG A 38 106.888 1.102 8.959 1.00 0.00 H new ATOM 0 HD3 ARG A 38 108.067 -0.039 8.344 1.00 0.00 H new ATOM 0 HE ARG A 38 108.819 2.262 10.121 1.00 0.00 H new ATOM 0 HH11 ARG A 38 109.125 -1.097 9.073 1.00 0.00 H new ATOM 0 HH12 ARG A 38 110.282 -1.509 10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 38 110.274 1.722 11.767 1.00 0.00 H new ATOM 0 HH22 ARG A 38 110.932 0.085 11.867 1.00 0.00 H new ATOM 650 N ILE A 39 106.860 1.145 2.994 1.00 0.00 N ATOM 651 CA ILE A 39 105.955 0.635 1.981 1.00 0.00 C ATOM 652 C ILE A 39 105.629 -0.822 2.273 1.00 0.00 C ATOM 653 O ILE A 39 106.513 -1.675 2.278 1.00 0.00 O ATOM 654 CB ILE A 39 106.558 0.754 0.562 1.00 0.00 C ATOM 655 CG1 ILE A 39 106.907 2.216 0.254 1.00 0.00 C ATOM 656 CG2 ILE A 39 105.588 0.204 -0.479 1.00 0.00 C ATOM 657 CD1 ILE A 39 107.539 2.417 -1.108 1.00 0.00 C ATOM 0 H ILE A 39 107.829 0.845 2.885 1.00 0.00 H new ATOM 0 HA ILE A 39 105.047 1.237 2.012 1.00 0.00 H new ATOM 0 HB ILE A 39 107.473 0.163 0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 39 106.000 2.818 0.316 1.00 0.00 H new ATOM 0 HG13 ILE A 39 107.589 2.587 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 39 106.029 0.296 -1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 39 105.385 -0.846 -0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 39 104.656 0.768 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 39 107.758 3.475 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 39 108.464 1.843 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 39 106.851 2.078 -1.882 1.00 0.00 H new ATOM 669 N TYR A 40 104.368 -1.098 2.540 1.00 0.00 N ATOM 670 CA TYR A 40 103.940 -2.458 2.819 1.00 0.00 C ATOM 671 C TYR A 40 103.364 -3.087 1.561 1.00 0.00 C ATOM 672 O TYR A 40 102.462 -2.530 0.930 1.00 0.00 O ATOM 673 CB TYR A 40 102.918 -2.489 3.957 1.00 0.00 C ATOM 674 CG TYR A 40 103.504 -2.154 5.311 1.00 0.00 C ATOM 675 CD1 TYR A 40 104.242 -3.095 6.019 1.00 0.00 C ATOM 676 CD2 TYR A 40 103.323 -0.900 5.880 1.00 0.00 C ATOM 677 CE1 TYR A 40 104.781 -2.797 7.255 1.00 0.00 C ATOM 678 CE2 TYR A 40 103.860 -0.594 7.116 1.00 0.00 C ATOM 679 CZ TYR A 40 104.586 -1.546 7.800 1.00 0.00 C ATOM 680 OH TYR A 40 105.126 -1.245 9.030 1.00 0.00 O ATOM 0 H TYR A 40 103.622 -0.403 2.570 1.00 0.00 H new ATOM 0 HA TYR A 40 104.807 -3.037 3.137 1.00 0.00 H new ATOM 0 HB2 TYR A 40 102.117 -1.784 3.733 1.00 0.00 H new ATOM 0 HB3 TYR A 40 102.467 -3.480 4.001 1.00 0.00 H new ATOM 0 HD1 TYR A 40 104.397 -4.076 5.595 1.00 0.00 H new ATOM 0 HD2 TYR A 40 102.754 -0.152 5.348 1.00 0.00 H new ATOM 0 HE1 TYR A 40 105.352 -3.540 7.792 1.00 0.00 H new ATOM 0 HE2 TYR A 40 103.712 0.386 7.544 1.00 0.00 H new ATOM 0 HH TYR A 40 104.415 -1.229 9.704 1.00 0.00 H new ATOM 690 N ALA A 41 103.900 -4.238 1.192 1.00 0.00 N ATOM 691 CA ALA A 41 103.482 -4.919 -0.017 1.00 0.00 C ATOM 692 C ALA A 41 102.699 -6.175 0.322 1.00 0.00 C ATOM 693 O ALA A 41 103.246 -7.125 0.887 1.00 0.00 O ATOM 694 CB ALA A 41 104.693 -5.253 -0.873 1.00 0.00 C ATOM 0 H ALA A 41 104.629 -4.721 1.717 1.00 0.00 H new ATOM 0 HA ALA A 41 102.828 -4.257 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 41 104.368 -5.765 -1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 41 105.213 -4.334 -1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 41 105.367 -5.901 -0.313 1.00 0.00 H new ATOM 700 N ALA A 42 101.419 -6.174 -0.011 1.00 0.00 N ATOM 701 CA ALA A 42 100.562 -7.318 0.244 1.00 0.00 C ATOM 702 C ALA A 42 100.537 -8.227 -0.970 1.00 0.00 C ATOM 703 O ALA A 42 99.875 -7.928 -1.965 1.00 0.00 O ATOM 704 CB ALA A 42 99.151 -6.868 0.604 1.00 0.00 C ATOM 0 H ALA A 42 100.949 -5.388 -0.461 1.00 0.00 H new ATOM 0 HA ALA A 42 100.965 -7.872 1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 42 98.527 -7.742 0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 42 99.184 -6.248 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 42 98.731 -6.292 -0.221 1.00 0.00 H new ATOM 710 N ARG A 43 101.275 -9.321 -0.902 1.00 0.00 N ATOM 711 CA ARG A 43 101.337 -10.256 -2.017 1.00 0.00 C ATOM 712 C ARG A 43 100.484 -11.487 -1.727 1.00 0.00 C ATOM 713 O ARG A 43 100.582 -12.098 -0.662 1.00 0.00 O ATOM 714 CB ARG A 43 102.789 -10.642 -2.351 1.00 0.00 C ATOM 715 CG ARG A 43 103.476 -11.545 -1.337 1.00 0.00 C ATOM 716 CD ARG A 43 104.887 -11.890 -1.781 1.00 0.00 C ATOM 717 NE ARG A 43 105.468 -12.984 -0.999 1.00 0.00 N ATOM 718 CZ ARG A 43 105.790 -14.170 -1.519 1.00 0.00 C ATOM 719 NH1 ARG A 43 105.589 -14.397 -2.809 1.00 0.00 N ATOM 720 NH2 ARG A 43 106.328 -15.115 -0.758 1.00 0.00 N ATOM 0 H ARG A 43 101.837 -9.585 -0.093 1.00 0.00 H new ATOM 0 HA ARG A 43 100.930 -9.760 -2.898 1.00 0.00 H new ATOM 0 HB2 ARG A 43 102.801 -11.139 -3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 43 103.375 -9.729 -2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 43 103.508 -11.050 -0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 43 102.898 -12.460 -1.209 1.00 0.00 H new ATOM 0 HD2 ARG A 43 104.875 -12.167 -2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 43 105.519 -11.007 -1.690 1.00 0.00 H new ATOM 0 HE ARG A 43 105.635 -12.831 -0.004 1.00 0.00 H new ATOM 0 HH11 ARG A 43 105.190 -13.667 -3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 43 105.833 -15.302 -3.212 1.00 0.00 H new ATOM 0 HH21 ARG A 43 106.498 -14.937 0.232 1.00 0.00 H new ATOM 0 HH22 ARG A 43 106.571 -16.019 -1.163 1.00 0.00 H new ATOM 734 N PHE A 44 99.632 -11.830 -2.673 1.00 0.00 N ATOM 735 CA PHE A 44 98.721 -12.948 -2.511 1.00 0.00 C ATOM 736 C PHE A 44 99.204 -14.122 -3.345 1.00 0.00 C ATOM 737 O PHE A 44 99.421 -13.978 -4.552 1.00 0.00 O ATOM 738 CB PHE A 44 97.306 -12.540 -2.926 1.00 0.00 C ATOM 739 CG PHE A 44 96.263 -13.585 -2.648 1.00 0.00 C ATOM 740 CD1 PHE A 44 95.726 -13.723 -1.378 1.00 0.00 C ATOM 741 CD2 PHE A 44 95.817 -14.427 -3.655 1.00 0.00 C ATOM 742 CE1 PHE A 44 94.765 -14.680 -1.119 1.00 0.00 C ATOM 743 CE2 PHE A 44 94.856 -15.386 -3.400 1.00 0.00 C ATOM 744 CZ PHE A 44 94.331 -15.513 -2.132 1.00 0.00 C ATOM 0 H PHE A 44 99.551 -11.347 -3.568 1.00 0.00 H new ATOM 0 HA PHE A 44 98.697 -13.245 -1.463 1.00 0.00 H new ATOM 0 HB2 PHE A 44 97.035 -11.623 -2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 44 97.302 -12.312 -3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 44 96.063 -13.075 -0.582 1.00 0.00 H new ATOM 0 HD2 PHE A 44 96.226 -14.332 -4.650 1.00 0.00 H new ATOM 0 HE1 PHE A 44 94.353 -14.777 -0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 44 94.516 -16.035 -4.193 1.00 0.00 H new ATOM 0 HZ PHE A 44 93.581 -16.263 -1.930 1.00 0.00 H new ATOM 754 N ASN A 45 99.392 -15.267 -2.685 1.00 0.00 N ATOM 755 CA ASN A 45 99.891 -16.491 -3.324 1.00 0.00 C ATOM 756 C ASN A 45 101.367 -16.354 -3.690 1.00 0.00 C ATOM 757 O ASN A 45 102.201 -17.143 -3.249 1.00 0.00 O ATOM 758 CB ASN A 45 99.059 -16.854 -4.563 1.00 0.00 C ATOM 759 CG ASN A 45 99.506 -18.153 -5.211 1.00 0.00 C ATOM 760 OD1 ASN A 45 100.365 -18.160 -6.091 1.00 0.00 O ATOM 761 ND2 ASN A 45 98.905 -19.259 -4.797 1.00 0.00 N ATOM 0 H ASN A 45 99.202 -15.374 -1.688 1.00 0.00 H new ATOM 0 HA ASN A 45 99.791 -17.302 -2.603 1.00 0.00 H new ATOM 0 HB2 ASN A 45 98.010 -16.937 -4.279 1.00 0.00 H new ATOM 0 HB3 ASN A 45 99.129 -16.047 -5.292 1.00 0.00 H new ATOM 0 HD21 ASN A 45 99.150 -20.158 -5.211 1.00 0.00 H new ATOM 0 HD22 ASN A 45 98.197 -19.211 -4.064 1.00 0.00 H new ATOM 768 N GLU A 46 101.689 -15.339 -4.480 1.00 0.00 N ATOM 769 CA GLU A 46 103.060 -15.106 -4.893 1.00 0.00 C ATOM 770 C GLU A 46 103.294 -13.636 -5.239 1.00 0.00 C ATOM 771 O GLU A 46 104.275 -13.038 -4.797 1.00 0.00 O ATOM 772 CB GLU A 46 103.413 -15.982 -6.100 1.00 0.00 C ATOM 773 CG GLU A 46 104.874 -15.887 -6.516 1.00 0.00 C ATOM 774 CD GLU A 46 105.818 -16.547 -5.528 1.00 0.00 C ATOM 775 OE1 GLU A 46 105.501 -16.589 -4.320 1.00 0.00 O ATOM 776 OE2 GLU A 46 106.878 -17.045 -5.959 1.00 0.00 O ATOM 0 H GLU A 46 101.017 -14.665 -4.846 1.00 0.00 H new ATOM 0 HA GLU A 46 103.705 -15.370 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 46 103.177 -17.020 -5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 46 102.785 -15.695 -6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 46 104.998 -16.352 -7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 46 105.147 -14.837 -6.625 1.00 0.00 H new ATOM 783 N ARG A 47 102.383 -13.048 -6.004 1.00 0.00 N ATOM 784 CA ARG A 47 102.614 -11.720 -6.554 1.00 0.00 C ATOM 785 C ARG A 47 101.799 -10.667 -5.809 1.00 0.00 C ATOM 786 O ARG A 47 100.848 -10.995 -5.096 1.00 0.00 O ATOM 787 CB ARG A 47 102.279 -11.702 -8.048 1.00 0.00 C ATOM 788 CG ARG A 47 102.845 -10.496 -8.778 1.00 0.00 C ATOM 789 CD ARG A 47 102.578 -10.563 -10.270 1.00 0.00 C ATOM 790 NE ARG A 47 103.229 -9.465 -10.979 1.00 0.00 N ATOM 791 CZ ARG A 47 103.000 -9.151 -12.250 1.00 0.00 C ATOM 792 NH1 ARG A 47 102.135 -9.853 -12.976 1.00 0.00 N ATOM 793 NH2 ARG A 47 103.646 -8.131 -12.791 1.00 0.00 N ATOM 0 H ARG A 47 101.487 -13.465 -6.255 1.00 0.00 H new ATOM 0 HA ARG A 47 103.669 -11.477 -6.427 1.00 0.00 H new ATOM 0 HB2 ARG A 47 102.664 -12.611 -8.510 1.00 0.00 H new ATOM 0 HB3 ARG A 47 101.196 -11.716 -8.170 1.00 0.00 H new ATOM 0 HG2 ARG A 47 102.405 -9.586 -8.371 1.00 0.00 H new ATOM 0 HG3 ARG A 47 103.919 -10.437 -8.603 1.00 0.00 H new ATOM 0 HD2 ARG A 47 102.936 -11.515 -10.663 1.00 0.00 H new ATOM 0 HD3 ARG A 47 101.504 -10.528 -10.451 1.00 0.00 H new ATOM 0 HE ARG A 47 103.905 -8.901 -10.464 1.00 0.00 H new ATOM 0 HH11 ARG A 47 101.640 -10.641 -12.558 1.00 0.00 H new ATOM 0 HH12 ARG A 47 101.967 -9.604 -13.951 1.00 0.00 H new ATOM 0 HH21 ARG A 47 104.311 -7.595 -12.234 1.00 0.00 H new ATOM 0 HH22 ARG A 47 103.479 -7.880 -13.765 1.00 0.00 H new ATOM 807 N LEU A 48 102.185 -9.406 -5.977 1.00 0.00 N ATOM 808 CA LEU A 48 101.555 -8.291 -5.280 1.00 0.00 C ATOM 809 C LEU A 48 100.074 -8.173 -5.620 1.00 0.00 C ATOM 810 O LEU A 48 99.682 -8.226 -6.787 1.00 0.00 O ATOM 811 CB LEU A 48 102.272 -6.988 -5.635 1.00 0.00 C ATOM 812 CG LEU A 48 103.770 -6.969 -5.330 1.00 0.00 C ATOM 813 CD1 LEU A 48 104.391 -5.653 -5.772 1.00 0.00 C ATOM 814 CD2 LEU A 48 104.013 -7.205 -3.847 1.00 0.00 C ATOM 0 H LEU A 48 102.943 -9.129 -6.600 1.00 0.00 H new ATOM 0 HA LEU A 48 101.636 -8.480 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 48 102.131 -6.791 -6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 48 101.796 -6.170 -5.094 1.00 0.00 H new ATOM 0 HG LEU A 48 104.245 -7.775 -5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 48 105.457 -5.660 -5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 48 104.248 -5.526 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 48 103.913 -4.829 -5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 48 105.084 -7.188 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 48 103.524 -6.421 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 48 103.605 -8.175 -3.561 1.00 0.00 H new ATOM 826 N LEU A 49 99.262 -8.016 -4.587 1.00 0.00 N ATOM 827 CA LEU A 49 97.832 -7.824 -4.753 1.00 0.00 C ATOM 828 C LEU A 49 97.449 -6.406 -4.340 1.00 0.00 C ATOM 829 O LEU A 49 96.507 -5.822 -4.873 1.00 0.00 O ATOM 830 CB LEU A 49 97.062 -8.843 -3.907 1.00 0.00 C ATOM 831 CG LEU A 49 95.545 -8.856 -4.116 1.00 0.00 C ATOM 832 CD1 LEU A 49 95.200 -9.304 -5.527 1.00 0.00 C ATOM 833 CD2 LEU A 49 94.874 -9.755 -3.091 1.00 0.00 C ATOM 0 H LEU A 49 99.574 -8.018 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 49 97.574 -7.972 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 49 97.450 -9.838 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 49 97.265 -8.644 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 49 95.172 -7.841 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.117 -9.306 -5.654 1.00 0.00 H new ATOM 0 HD12 LEU A 49 95.648 -8.619 -6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 49 95.587 -10.309 -5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 49 93.796 -9.752 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 49 95.254 -10.771 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 49 95.090 -9.387 -2.088 1.00 0.00 H new ATOM 845 N ALA A 50 98.198 -5.857 -3.391 1.00 0.00 N ATOM 846 CA ALA A 50 97.944 -4.513 -2.889 1.00 0.00 C ATOM 847 C ALA A 50 99.240 -3.861 -2.425 1.00 0.00 C ATOM 848 O ALA A 50 100.144 -4.543 -1.939 1.00 0.00 O ATOM 849 CB ALA A 50 96.938 -4.554 -1.748 1.00 0.00 C ATOM 0 H ALA A 50 98.990 -6.326 -2.952 1.00 0.00 H new ATOM 0 HA ALA A 50 97.528 -3.917 -3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 50 96.759 -3.542 -1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 50 96.001 -4.982 -2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 50 97.332 -5.167 -0.937 1.00 0.00 H new ATOM 855 N ALA A 51 99.330 -2.548 -2.574 1.00 0.00 N ATOM 856 CA ALA A 51 100.511 -1.813 -2.147 1.00 0.00 C ATOM 857 C ALA A 51 100.109 -0.547 -1.403 1.00 0.00 C ATOM 858 O ALA A 51 99.312 0.252 -1.904 1.00 0.00 O ATOM 859 CB ALA A 51 101.387 -1.478 -3.343 1.00 0.00 C ATOM 0 H ALA A 51 98.599 -1.969 -2.988 1.00 0.00 H new ATOM 0 HA ALA A 51 101.085 -2.442 -1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 51 102.266 -0.928 -3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 51 101.701 -2.399 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 51 100.823 -0.866 -4.047 1.00 0.00 H new ATOM 865 N VAL A 52 100.652 -0.370 -0.206 1.00 0.00 N ATOM 866 CA VAL A 52 100.315 0.779 0.619 1.00 0.00 C ATOM 867 C VAL A 52 101.576 1.457 1.155 1.00 0.00 C ATOM 868 O VAL A 52 102.505 0.794 1.620 1.00 0.00 O ATOM 869 CB VAL A 52 99.386 0.372 1.790 1.00 0.00 C ATOM 870 CG1 VAL A 52 100.028 -0.691 2.668 1.00 0.00 C ATOM 871 CG2 VAL A 52 98.994 1.587 2.618 1.00 0.00 C ATOM 0 H VAL A 52 101.328 -1.008 0.214 1.00 0.00 H new ATOM 0 HA VAL A 52 99.781 1.491 -0.011 1.00 0.00 H new ATOM 0 HB VAL A 52 98.482 -0.057 1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 52 99.348 -0.952 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 52 100.238 -1.578 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 52 100.959 -0.305 3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 52 98.342 1.276 3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 52 99.890 2.053 3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 52 98.469 2.304 1.987 1.00 0.00 H new ATOM 881 N ARG A 53 101.616 2.779 1.060 1.00 0.00 N ATOM 882 CA ARG A 53 102.747 3.550 1.563 1.00 0.00 C ATOM 883 C ARG A 53 102.316 4.343 2.793 1.00 0.00 C ATOM 884 O ARG A 53 101.325 5.070 2.746 1.00 0.00 O ATOM 885 CB ARG A 53 103.253 4.500 0.477 1.00 0.00 C ATOM 886 CG ARG A 53 103.533 3.813 -0.850 1.00 0.00 C ATOM 887 CD ARG A 53 103.588 4.812 -1.995 1.00 0.00 C ATOM 888 NE ARG A 53 104.790 5.648 -1.968 1.00 0.00 N ATOM 889 CZ ARG A 53 104.804 6.934 -1.611 1.00 0.00 C ATOM 890 NH1 ARG A 53 103.719 7.506 -1.100 1.00 0.00 N ATOM 891 NH2 ARG A 53 105.918 7.642 -1.744 1.00 0.00 N ATOM 0 H ARG A 53 100.877 3.342 0.638 1.00 0.00 H new ATOM 0 HA ARG A 53 103.554 2.871 1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 53 102.514 5.286 0.321 1.00 0.00 H new ATOM 0 HB3 ARG A 53 104.165 4.984 0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 53 104.479 3.275 -0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 53 102.758 3.073 -1.048 1.00 0.00 H new ATOM 0 HD2 ARG A 53 103.548 4.274 -2.942 1.00 0.00 H new ATOM 0 HD3 ARG A 53 102.706 5.452 -1.954 1.00 0.00 H new ATOM 0 HE ARG A 53 105.675 5.219 -2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 53 102.865 6.962 -0.977 1.00 0.00 H new ATOM 0 HH12 ARG A 53 103.740 8.489 -0.830 1.00 0.00 H new ATOM 0 HH21 ARG A 53 106.760 7.203 -2.118 1.00 0.00 H new ATOM 0 HH22 ARG A 53 105.933 8.625 -1.472 1.00 0.00 H new ATOM 905 N VAL A 54 103.041 4.200 3.893 1.00 0.00 N ATOM 906 CA VAL A 54 102.667 4.883 5.124 1.00 0.00 C ATOM 907 C VAL A 54 103.777 5.815 5.611 1.00 0.00 C ATOM 908 O VAL A 54 104.961 5.460 5.615 1.00 0.00 O ATOM 909 CB VAL A 54 102.286 3.877 6.241 1.00 0.00 C ATOM 910 CG1 VAL A 54 103.455 2.975 6.603 1.00 0.00 C ATOM 911 CG2 VAL A 54 101.768 4.605 7.472 1.00 0.00 C ATOM 0 H VAL A 54 103.881 3.625 3.960 1.00 0.00 H new ATOM 0 HA VAL A 54 101.790 5.488 4.893 1.00 0.00 H new ATOM 0 HB VAL A 54 101.487 3.244 5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 54 103.151 2.283 7.389 1.00 0.00 H new ATOM 0 HG12 VAL A 54 103.766 2.411 5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 54 104.288 3.583 6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 54 101.507 3.878 8.242 1.00 0.00 H new ATOM 0 HG22 VAL A 54 102.541 5.274 7.851 1.00 0.00 H new ATOM 0 HG23 VAL A 54 100.884 5.185 7.207 1.00 0.00 H new ATOM 921 N THR A 55 103.381 7.017 5.994 1.00 0.00 N ATOM 922 CA THR A 55 104.288 7.993 6.562 1.00 0.00 C ATOM 923 C THR A 55 104.141 8.015 8.080 1.00 0.00 C ATOM 924 O THR A 55 103.134 8.485 8.611 1.00 0.00 O ATOM 925 CB THR A 55 103.996 9.398 6.002 1.00 0.00 C ATOM 926 OG1 THR A 55 103.944 9.350 4.570 1.00 0.00 O ATOM 927 CG2 THR A 55 105.060 10.393 6.442 1.00 0.00 C ATOM 0 H THR A 55 102.417 7.342 5.918 1.00 0.00 H new ATOM 0 HA THR A 55 105.306 7.711 6.295 1.00 0.00 H new ATOM 0 HB THR A 55 103.033 9.727 6.393 1.00 0.00 H new ATOM 0 HG1 THR A 55 103.041 9.583 4.267 1.00 0.00 H new ATOM 0 HG21 THR A 55 104.830 11.377 6.033 1.00 0.00 H new ATOM 0 HG22 THR A 55 105.079 10.448 7.530 1.00 0.00 H new ATOM 0 HG23 THR A 55 106.035 10.068 6.078 1.00 0.00 H new ATOM 935 N LEU A 56 105.133 7.487 8.773 1.00 0.00 N ATOM 936 CA LEU A 56 105.090 7.410 10.224 1.00 0.00 C ATOM 937 C LEU A 56 105.832 8.584 10.844 1.00 0.00 C ATOM 938 O LEU A 56 106.962 8.890 10.462 1.00 0.00 O ATOM 939 CB LEU A 56 105.696 6.089 10.704 1.00 0.00 C ATOM 940 CG LEU A 56 104.942 4.832 10.264 1.00 0.00 C ATOM 941 CD1 LEU A 56 105.676 3.580 10.715 1.00 0.00 C ATOM 942 CD2 LEU A 56 103.523 4.842 10.814 1.00 0.00 C ATOM 0 H LEU A 56 105.981 7.104 8.355 1.00 0.00 H new ATOM 0 HA LEU A 56 104.048 7.454 10.540 1.00 0.00 H new ATOM 0 HB2 LEU A 56 106.722 6.024 10.341 1.00 0.00 H new ATOM 0 HB3 LEU A 56 105.743 6.103 11.793 1.00 0.00 H new ATOM 0 HG LEU A 56 104.892 4.827 9.175 1.00 0.00 H new ATOM 0 HD11 LEU A 56 105.123 2.698 10.392 1.00 0.00 H new ATOM 0 HD12 LEU A 56 106.673 3.564 10.275 1.00 0.00 H new ATOM 0 HD13 LEU A 56 105.759 3.578 11.802 1.00 0.00 H new ATOM 0 HD21 LEU A 56 103.001 3.941 10.491 1.00 0.00 H new ATOM 0 HD22 LEU A 56 103.555 4.872 11.903 1.00 0.00 H new ATOM 0 HD23 LEU A 56 102.995 5.720 10.442 1.00 0.00 H new ATOM 954 N SER A 57 105.185 9.251 11.786 1.00 0.00 N ATOM 955 CA SER A 57 105.788 10.373 12.483 1.00 0.00 C ATOM 956 C SER A 57 105.513 10.272 13.981 1.00 0.00 C ATOM 957 O SER A 57 104.432 10.635 14.457 1.00 0.00 O ATOM 958 CB SER A 57 105.253 11.694 11.923 1.00 0.00 C ATOM 959 OG SER A 57 105.492 11.785 10.526 1.00 0.00 O ATOM 0 H SER A 57 104.235 9.032 12.086 1.00 0.00 H new ATOM 0 HA SER A 57 106.867 10.346 12.328 1.00 0.00 H new ATOM 0 HB2 SER A 57 104.183 11.770 12.119 1.00 0.00 H new ATOM 0 HB3 SER A 57 105.731 12.530 12.433 1.00 0.00 H new ATOM 0 HG SER A 57 105.141 12.636 10.189 1.00 0.00 H new ATOM 965 N GLY A 58 106.484 9.742 14.715 1.00 0.00 N ATOM 966 CA GLY A 58 106.340 9.584 16.146 1.00 0.00 C ATOM 967 C GLY A 58 105.322 8.520 16.510 1.00 0.00 C ATOM 968 O GLY A 58 105.528 7.335 16.250 1.00 0.00 O ATOM 0 H GLY A 58 107.375 9.417 14.339 1.00 0.00 H new ATOM 0 HA2 GLY A 58 107.306 9.323 16.579 1.00 0.00 H new ATOM 0 HA3 GLY A 58 106.040 10.535 16.586 1.00 0.00 H new ATOM 972 N THR A 59 104.217 8.949 17.096 1.00 0.00 N ATOM 973 CA THR A 59 103.174 8.030 17.527 1.00 0.00 C ATOM 974 C THR A 59 101.963 8.130 16.599 1.00 0.00 C ATOM 975 O THR A 59 100.884 7.603 16.885 1.00 0.00 O ATOM 976 CB THR A 59 102.755 8.339 18.976 1.00 0.00 C ATOM 977 OG1 THR A 59 103.918 8.675 19.747 1.00 0.00 O ATOM 978 CG2 THR A 59 102.059 7.145 19.616 1.00 0.00 C ATOM 0 H THR A 59 104.017 9.931 17.285 1.00 0.00 H new ATOM 0 HA THR A 59 103.567 7.014 17.484 1.00 0.00 H new ATOM 0 HB THR A 59 102.057 9.176 18.958 1.00 0.00 H new ATOM 0 HG1 THR A 59 103.653 8.874 20.669 1.00 0.00 H new ATOM 0 HG21 THR A 59 101.775 7.394 20.638 1.00 0.00 H new ATOM 0 HG22 THR A 59 101.167 6.894 19.043 1.00 0.00 H new ATOM 0 HG23 THR A 59 102.736 6.291 19.625 1.00 0.00 H new ATOM 986 N GLU A 60 102.154 8.805 15.475 1.00 0.00 N ATOM 987 CA GLU A 60 101.088 8.993 14.506 1.00 0.00 C ATOM 988 C GLU A 60 101.531 8.513 13.133 1.00 0.00 C ATOM 989 O GLU A 60 102.727 8.478 12.833 1.00 0.00 O ATOM 990 CB GLU A 60 100.688 10.463 14.437 1.00 0.00 C ATOM 991 CG GLU A 60 100.292 11.042 15.780 1.00 0.00 C ATOM 992 CD GLU A 60 99.871 12.487 15.682 1.00 0.00 C ATOM 993 OE1 GLU A 60 100.747 13.351 15.476 1.00 0.00 O ATOM 994 OE2 GLU A 60 98.666 12.766 15.829 1.00 0.00 O ATOM 0 H GLU A 60 103.042 9.233 15.212 1.00 0.00 H new ATOM 0 HA GLU A 60 100.226 8.407 14.824 1.00 0.00 H new ATOM 0 HB2 GLU A 60 101.520 11.040 14.032 1.00 0.00 H new ATOM 0 HB3 GLU A 60 99.855 10.573 13.742 1.00 0.00 H new ATOM 0 HG2 GLU A 60 99.474 10.456 16.198 1.00 0.00 H new ATOM 0 HG3 GLU A 60 101.131 10.957 16.471 1.00 0.00 H new ATOM 1001 N GLY A 61 100.569 8.137 12.308 1.00 0.00 N ATOM 1002 CA GLY A 61 100.877 7.665 10.979 1.00 0.00 C ATOM 1003 C GLY A 61 99.872 8.148 9.957 1.00 0.00 C ATOM 1004 O GLY A 61 98.665 8.065 10.177 1.00 0.00 O ATOM 0 H GLY A 61 99.575 8.151 12.538 1.00 0.00 H new ATOM 0 HA2 GLY A 61 101.873 8.005 10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 61 100.900 6.575 10.978 1.00 0.00 H new ATOM 1008 N ALA A 62 100.370 8.665 8.848 1.00 0.00 N ATOM 1009 CA ALA A 62 99.519 9.103 7.756 1.00 0.00 C ATOM 1010 C ALA A 62 99.857 8.315 6.502 1.00 0.00 C ATOM 1011 O ALA A 62 101.012 8.258 6.099 1.00 0.00 O ATOM 1012 CB ALA A 62 99.684 10.596 7.515 1.00 0.00 C ATOM 0 H ALA A 62 101.368 8.792 8.679 1.00 0.00 H new ATOM 0 HA ALA A 62 98.477 8.920 8.019 1.00 0.00 H new ATOM 0 HB1 ALA A 62 99.038 10.905 6.693 1.00 0.00 H new ATOM 0 HB2 ALA A 62 99.410 11.143 8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 62 100.722 10.811 7.262 1.00 0.00 H new ATOM 1018 N LEU A 63 98.861 7.704 5.894 1.00 0.00 N ATOM 1019 CA LEU A 63 99.098 6.844 4.746 1.00 0.00 C ATOM 1020 C LEU A 63 98.947 7.624 3.450 1.00 0.00 C ATOM 1021 O LEU A 63 97.868 8.134 3.137 1.00 0.00 O ATOM 1022 CB LEU A 63 98.159 5.633 4.758 1.00 0.00 C ATOM 1023 CG LEU A 63 98.401 4.619 5.888 1.00 0.00 C ATOM 1024 CD1 LEU A 63 97.888 5.139 7.224 1.00 0.00 C ATOM 1025 CD2 LEU A 63 97.752 3.287 5.554 1.00 0.00 C ATOM 0 H LEU A 63 97.883 7.784 6.172 1.00 0.00 H new ATOM 0 HA LEU A 63 100.122 6.476 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 63 97.132 5.992 4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 63 98.250 5.115 3.803 1.00 0.00 H new ATOM 0 HG LEU A 63 99.478 4.474 5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 63 98.076 4.397 8.000 1.00 0.00 H new ATOM 0 HD12 LEU A 63 98.404 6.066 7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 63 96.817 5.328 7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 63 97.933 2.581 6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 63 96.678 3.427 5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 63 98.178 2.896 4.630 1.00 0.00 H new ATOM 1037 N ASP A 64 100.039 7.716 2.707 1.00 0.00 N ATOM 1038 CA ASP A 64 100.067 8.457 1.457 1.00 0.00 C ATOM 1039 C ASP A 64 100.172 7.501 0.280 1.00 0.00 C ATOM 1040 O ASP A 64 101.154 6.768 0.159 1.00 0.00 O ATOM 1041 CB ASP A 64 101.256 9.422 1.415 1.00 0.00 C ATOM 1042 CG ASP A 64 101.158 10.565 2.406 1.00 0.00 C ATOM 1043 OD1 ASP A 64 100.424 11.536 2.125 1.00 0.00 O ATOM 1044 OD2 ASP A 64 101.850 10.516 3.446 1.00 0.00 O ATOM 0 H ASP A 64 100.928 7.280 2.953 1.00 0.00 H new ATOM 0 HA ASP A 64 99.141 9.028 1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 64 102.171 8.863 1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 64 101.342 9.833 0.409 1.00 0.00 H new ATOM 1049 N SER A 65 99.160 7.529 -0.584 1.00 0.00 N ATOM 1050 CA SER A 65 99.123 6.707 -1.793 1.00 0.00 C ATOM 1051 C SER A 65 98.858 5.234 -1.471 1.00 0.00 C ATOM 1052 O SER A 65 99.718 4.515 -0.947 1.00 0.00 O ATOM 1053 CB SER A 65 100.417 6.862 -2.606 1.00 0.00 C ATOM 1054 OG SER A 65 100.650 8.224 -2.928 1.00 0.00 O ATOM 0 H SER A 65 98.340 8.124 -0.466 1.00 0.00 H new ATOM 0 HA SER A 65 98.292 7.065 -2.401 1.00 0.00 H new ATOM 0 HB2 SER A 65 101.259 6.469 -2.036 1.00 0.00 H new ATOM 0 HB3 SER A 65 100.349 6.274 -3.521 1.00 0.00 H new ATOM 0 HG SER A 65 101.480 8.301 -3.444 1.00 0.00 H new ATOM 1060 N LEU A 66 97.646 4.804 -1.790 1.00 0.00 N ATOM 1061 CA LEU A 66 97.222 3.425 -1.596 1.00 0.00 C ATOM 1062 C LEU A 66 96.554 2.915 -2.866 1.00 0.00 C ATOM 1063 O LEU A 66 95.700 3.593 -3.434 1.00 0.00 O ATOM 1064 CB LEU A 66 96.242 3.340 -0.418 1.00 0.00 C ATOM 1065 CG LEU A 66 95.483 2.015 -0.282 1.00 0.00 C ATOM 1066 CD1 LEU A 66 96.440 0.866 -0.010 1.00 0.00 C ATOM 1067 CD2 LEU A 66 94.434 2.112 0.815 1.00 0.00 C ATOM 0 H LEU A 66 96.926 5.404 -2.192 1.00 0.00 H new ATOM 0 HA LEU A 66 98.093 2.808 -1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 66 96.795 3.518 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 66 95.515 4.146 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 66 94.977 1.815 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 66 95.877 -0.063 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 66 97.149 0.780 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 66 96.982 1.055 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 66 93.905 1.163 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 66 94.920 2.340 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 66 93.724 2.903 0.571 1.00 0.00 H new ATOM 1079 N ARG A 67 96.964 1.742 -3.333 1.00 0.00 N ATOM 1080 CA ARG A 67 96.331 1.137 -4.495 1.00 0.00 C ATOM 1081 C ARG A 67 96.265 -0.377 -4.349 1.00 0.00 C ATOM 1082 O ARG A 67 97.262 -1.024 -4.022 1.00 0.00 O ATOM 1083 CB ARG A 67 97.078 1.499 -5.782 1.00 0.00 C ATOM 1084 CG ARG A 67 96.264 1.242 -7.045 1.00 0.00 C ATOM 1085 CD ARG A 67 97.095 1.446 -8.301 1.00 0.00 C ATOM 1086 NE ARG A 67 96.276 1.473 -9.516 1.00 0.00 N ATOM 1087 CZ ARG A 67 96.052 0.417 -10.302 1.00 0.00 C ATOM 1088 NH1 ARG A 67 96.518 -0.784 -9.973 1.00 0.00 N ATOM 1089 NH2 ARG A 67 95.346 0.567 -11.415 1.00 0.00 N ATOM 0 H ARG A 67 97.725 1.196 -2.929 1.00 0.00 H new ATOM 0 HA ARG A 67 95.317 1.532 -4.557 1.00 0.00 H new ATOM 0 HB2 ARG A 67 97.359 2.552 -5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 67 98.003 0.924 -5.831 1.00 0.00 H new ATOM 0 HG2 ARG A 67 95.876 0.224 -7.027 1.00 0.00 H new ATOM 0 HG3 ARG A 67 95.403 1.911 -7.066 1.00 0.00 H new ATOM 0 HD2 ARG A 67 97.649 2.381 -8.219 1.00 0.00 H new ATOM 0 HD3 ARG A 67 97.831 0.646 -8.380 1.00 0.00 H new ATOM 0 HE ARG A 67 95.847 2.360 -9.780 1.00 0.00 H new ATOM 0 HH11 ARG A 67 97.052 -0.906 -9.113 1.00 0.00 H new ATOM 0 HH12 ARG A 67 96.341 -1.584 -10.581 1.00 0.00 H new ATOM 0 HH21 ARG A 67 94.978 1.485 -11.666 1.00 0.00 H new ATOM 0 HH22 ARG A 67 95.171 -0.235 -12.020 1.00 0.00 H new ATOM 1103 N VAL A 68 95.089 -0.933 -4.579 1.00 0.00 N ATOM 1104 CA VAL A 68 94.917 -2.375 -4.623 1.00 0.00 C ATOM 1105 C VAL A 68 94.706 -2.789 -6.074 1.00 0.00 C ATOM 1106 O VAL A 68 94.310 -1.958 -6.896 1.00 0.00 O ATOM 1107 CB VAL A 68 93.703 -2.836 -3.774 1.00 0.00 C ATOM 1108 CG1 VAL A 68 93.688 -4.349 -3.604 1.00 0.00 C ATOM 1109 CG2 VAL A 68 93.697 -2.146 -2.417 1.00 0.00 C ATOM 0 H VAL A 68 94.232 -0.403 -4.739 1.00 0.00 H new ATOM 0 HA VAL A 68 95.808 -2.845 -4.207 1.00 0.00 H new ATOM 0 HB VAL A 68 92.798 -2.550 -4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 68 92.825 -4.639 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 68 93.626 -4.825 -4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 68 94.602 -4.668 -3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 68 92.837 -2.485 -1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 68 94.613 -2.391 -1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 68 93.637 -1.067 -2.558 1.00 0.00 H new ATOM 1119 N ARG A 69 95.003 -4.042 -6.397 1.00 0.00 N ATOM 1120 CA ARG A 69 94.702 -4.575 -7.716 1.00 0.00 C ATOM 1121 C ARG A 69 93.221 -4.347 -8.005 1.00 0.00 C ATOM 1122 O ARG A 69 92.366 -4.710 -7.199 1.00 0.00 O ATOM 1123 CB ARG A 69 95.060 -6.064 -7.770 1.00 0.00 C ATOM 1124 CG ARG A 69 94.920 -6.705 -9.141 1.00 0.00 C ATOM 1125 CD ARG A 69 95.430 -8.137 -9.119 1.00 0.00 C ATOM 1126 NE ARG A 69 95.258 -8.825 -10.398 1.00 0.00 N ATOM 1127 CZ ARG A 69 95.381 -10.146 -10.543 1.00 0.00 C ATOM 1128 NH1 ARG A 69 95.698 -10.902 -9.496 1.00 0.00 N ATOM 1129 NH2 ARG A 69 95.187 -10.714 -11.727 1.00 0.00 N ATOM 0 H ARG A 69 95.451 -4.705 -5.764 1.00 0.00 H new ATOM 0 HA ARG A 69 95.293 -4.066 -8.478 1.00 0.00 H new ATOM 0 HB2 ARG A 69 96.088 -6.188 -7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 69 94.424 -6.602 -7.067 1.00 0.00 H new ATOM 0 HG2 ARG A 69 93.875 -6.691 -9.450 1.00 0.00 H new ATOM 0 HG3 ARG A 69 95.478 -6.126 -9.877 1.00 0.00 H new ATOM 0 HD2 ARG A 69 96.487 -8.136 -8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 69 94.905 -8.692 -8.341 1.00 0.00 H new ATOM 0 HE ARG A 69 95.033 -8.267 -11.221 1.00 0.00 H new ATOM 0 HH11 ARG A 69 95.847 -10.472 -8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 69 95.792 -11.912 -9.606 1.00 0.00 H new ATOM 0 HH21 ARG A 69 94.942 -10.140 -12.534 1.00 0.00 H new ATOM 0 HH22 ARG A 69 95.283 -11.724 -11.830 1.00 0.00 H new ATOM 1143 N GLU A 70 92.930 -3.730 -9.141 1.00 0.00 N ATOM 1144 CA GLU A 70 91.589 -3.231 -9.438 1.00 0.00 C ATOM 1145 C GLU A 70 90.529 -4.336 -9.377 1.00 0.00 C ATOM 1146 O GLU A 70 89.386 -4.088 -8.993 1.00 0.00 O ATOM 1147 CB GLU A 70 91.587 -2.566 -10.813 1.00 0.00 C ATOM 1148 CG GLU A 70 90.293 -1.850 -11.152 1.00 0.00 C ATOM 1149 CD GLU A 70 90.332 -1.233 -12.530 1.00 0.00 C ATOM 1150 OE1 GLU A 70 90.068 -1.959 -13.511 1.00 0.00 O ATOM 1151 OE2 GLU A 70 90.644 -0.027 -12.639 1.00 0.00 O ATOM 0 H GLU A 70 93.611 -3.560 -9.881 1.00 0.00 H new ATOM 0 HA GLU A 70 91.327 -2.500 -8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 70 92.409 -1.851 -10.860 1.00 0.00 H new ATOM 0 HB3 GLU A 70 91.780 -3.324 -11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 70 89.463 -2.554 -11.093 1.00 0.00 H new ATOM 0 HG3 GLU A 70 90.104 -1.072 -10.412 1.00 0.00 H new ATOM 1158 N VAL A 71 90.917 -5.557 -9.718 1.00 0.00 N ATOM 1159 CA VAL A 71 89.982 -6.683 -9.734 1.00 0.00 C ATOM 1160 C VAL A 71 89.813 -7.279 -8.325 1.00 0.00 C ATOM 1161 O VAL A 71 89.311 -8.393 -8.155 1.00 0.00 O ATOM 1162 CB VAL A 71 90.461 -7.783 -10.713 1.00 0.00 C ATOM 1163 CG1 VAL A 71 89.317 -8.721 -11.079 1.00 0.00 C ATOM 1164 CG2 VAL A 71 91.067 -7.166 -11.965 1.00 0.00 C ATOM 0 H VAL A 71 91.871 -5.797 -9.988 1.00 0.00 H new ATOM 0 HA VAL A 71 89.017 -6.305 -10.072 1.00 0.00 H new ATOM 0 HB VAL A 71 91.233 -8.366 -10.211 1.00 0.00 H new ATOM 0 HG11 VAL A 71 89.679 -9.485 -11.768 1.00 0.00 H new ATOM 0 HG12 VAL A 71 88.935 -9.198 -10.177 1.00 0.00 H new ATOM 0 HG13 VAL A 71 88.518 -8.152 -11.555 1.00 0.00 H new ATOM 0 HG21 VAL A 71 91.396 -7.958 -12.638 1.00 0.00 H new ATOM 0 HG22 VAL A 71 90.319 -6.551 -12.466 1.00 0.00 H new ATOM 0 HG23 VAL A 71 91.920 -6.546 -11.689 1.00 0.00 H new ATOM 1174 N THR A 72 90.220 -6.524 -7.314 1.00 0.00 N ATOM 1175 CA THR A 72 90.117 -6.972 -5.930 1.00 0.00 C ATOM 1176 C THR A 72 89.079 -6.137 -5.174 1.00 0.00 C ATOM 1177 O THR A 72 89.020 -6.141 -3.941 1.00 0.00 O ATOM 1178 CB THR A 72 91.485 -6.867 -5.224 1.00 0.00 C ATOM 1179 OG1 THR A 72 92.524 -7.199 -6.150 1.00 0.00 O ATOM 1180 CG2 THR A 72 91.562 -7.810 -4.036 1.00 0.00 C ATOM 0 H THR A 72 90.626 -5.595 -7.426 1.00 0.00 H new ATOM 0 HA THR A 72 89.800 -8.015 -5.932 1.00 0.00 H new ATOM 0 HB THR A 72 91.607 -5.845 -4.866 1.00 0.00 H new ATOM 0 HG1 THR A 72 92.611 -6.484 -6.814 1.00 0.00 H new ATOM 0 HG21 THR A 72 92.537 -7.714 -3.558 1.00 0.00 H new ATOM 0 HG22 THR A 72 90.780 -7.557 -3.320 1.00 0.00 H new ATOM 0 HG23 THR A 72 91.424 -8.836 -4.377 1.00 0.00 H new ATOM 1188 N ARG A 73 88.248 -5.429 -5.926 1.00 0.00 N ATOM 1189 CA ARG A 73 87.235 -4.570 -5.333 1.00 0.00 C ATOM 1190 C ARG A 73 86.070 -5.392 -4.785 1.00 0.00 C ATOM 1191 O ARG A 73 85.626 -6.349 -5.418 1.00 0.00 O ATOM 1192 CB ARG A 73 86.739 -3.537 -6.351 1.00 0.00 C ATOM 1193 CG ARG A 73 87.809 -2.530 -6.750 1.00 0.00 C ATOM 1194 CD ARG A 73 87.308 -1.535 -7.791 1.00 0.00 C ATOM 1195 NE ARG A 73 88.351 -0.574 -8.164 1.00 0.00 N ATOM 1196 CZ ARG A 73 88.222 0.346 -9.126 1.00 0.00 C ATOM 1197 NH1 ARG A 73 87.097 0.443 -9.820 1.00 0.00 N ATOM 1198 NH2 ARG A 73 89.226 1.171 -9.393 1.00 0.00 N ATOM 0 H ARG A 73 88.256 -5.433 -6.946 1.00 0.00 H new ATOM 0 HA ARG A 73 87.691 -4.038 -4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 73 86.386 -4.055 -7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 73 85.885 -3.004 -5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 73 88.144 -1.989 -5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 73 88.675 -3.061 -7.145 1.00 0.00 H new ATOM 0 HD2 ARG A 73 86.974 -2.073 -8.678 1.00 0.00 H new ATOM 0 HD3 ARG A 73 86.443 -1.000 -7.398 1.00 0.00 H new ATOM 0 HE ARG A 73 89.234 -0.610 -7.655 1.00 0.00 H new ATOM 0 HH11 ARG A 73 86.320 -0.187 -9.622 1.00 0.00 H new ATOM 0 HH12 ARG A 73 87.008 1.148 -10.552 1.00 0.00 H new ATOM 0 HH21 ARG A 73 90.096 1.103 -8.865 1.00 0.00 H new ATOM 0 HH22 ARG A 73 89.128 1.873 -10.127 1.00 0.00 H new ATOM 1212 N ARG A 74 85.613 -5.012 -3.586 1.00 0.00 N ATOM 1213 CA ARG A 74 84.468 -5.645 -2.916 1.00 0.00 C ATOM 1214 C ARG A 74 84.815 -7.051 -2.406 1.00 0.00 C ATOM 1215 O ARG A 74 83.940 -7.905 -2.268 1.00 0.00 O ATOM 1216 CB ARG A 74 83.253 -5.715 -3.855 1.00 0.00 C ATOM 1217 CG ARG A 74 81.936 -5.955 -3.132 1.00 0.00 C ATOM 1218 CD ARG A 74 80.911 -6.633 -4.026 1.00 0.00 C ATOM 1219 NE ARG A 74 80.632 -5.870 -5.242 1.00 0.00 N ATOM 1220 CZ ARG A 74 79.404 -5.597 -5.678 1.00 0.00 C ATOM 1221 NH1 ARG A 74 78.347 -5.984 -4.974 1.00 0.00 N ATOM 1222 NH2 ARG A 74 79.238 -4.940 -6.817 1.00 0.00 N ATOM 0 H ARG A 74 86.029 -4.251 -3.049 1.00 0.00 H new ATOM 0 HA ARG A 74 84.217 -5.024 -2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 74 83.185 -4.783 -4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 74 83.410 -6.514 -4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 74 82.113 -6.572 -2.251 1.00 0.00 H new ATOM 0 HG3 ARG A 74 81.537 -5.004 -2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 74 81.272 -7.625 -4.299 1.00 0.00 H new ATOM 0 HD3 ARG A 74 79.985 -6.773 -3.469 1.00 0.00 H new ATOM 0 HE ARG A 74 81.423 -5.528 -5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 74 78.475 -6.491 -4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 74 77.407 -5.774 -5.309 1.00 0.00 H new ATOM 0 HH21 ARG A 74 80.050 -4.644 -7.358 1.00 0.00 H new ATOM 0 HH22 ARG A 74 78.298 -4.730 -7.152 1.00 0.00 H new ATOM 1236 N ARG A 75 86.085 -7.292 -2.098 1.00 0.00 N ATOM 1237 CA ARG A 75 86.491 -8.614 -1.630 1.00 0.00 C ATOM 1238 C ARG A 75 87.214 -8.560 -0.286 1.00 0.00 C ATOM 1239 O ARG A 75 87.970 -9.468 0.053 1.00 0.00 O ATOM 1240 CB ARG A 75 87.362 -9.318 -2.671 1.00 0.00 C ATOM 1241 CG ARG A 75 86.647 -9.563 -3.989 1.00 0.00 C ATOM 1242 CD ARG A 75 87.227 -10.758 -4.721 1.00 0.00 C ATOM 1243 NE ARG A 75 86.970 -12.011 -4.006 1.00 0.00 N ATOM 1244 CZ ARG A 75 87.431 -13.199 -4.390 1.00 0.00 C ATOM 1245 NH1 ARG A 75 88.203 -13.299 -5.469 1.00 0.00 N ATOM 1246 NH2 ARG A 75 87.124 -14.288 -3.693 1.00 0.00 N ATOM 0 H ARG A 75 86.837 -6.606 -2.161 1.00 0.00 H new ATOM 0 HA ARG A 75 85.576 -9.189 -1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 75 88.252 -8.717 -2.855 1.00 0.00 H new ATOM 0 HB3 ARG A 75 87.700 -10.272 -2.266 1.00 0.00 H new ATOM 0 HG2 ARG A 75 85.586 -9.728 -3.803 1.00 0.00 H new ATOM 0 HG3 ARG A 75 86.726 -8.676 -4.618 1.00 0.00 H new ATOM 0 HD2 ARG A 75 86.797 -10.815 -5.721 1.00 0.00 H new ATOM 0 HD3 ARG A 75 88.302 -10.623 -4.843 1.00 0.00 H new ATOM 0 HE ARG A 75 86.402 -11.970 -3.160 1.00 0.00 H new ATOM 0 HH11 ARG A 75 88.443 -12.464 -6.004 1.00 0.00 H new ATOM 0 HH12 ARG A 75 88.555 -14.211 -5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 75 86.535 -14.213 -2.864 1.00 0.00 H new ATOM 0 HH22 ARG A 75 87.477 -15.198 -3.987 1.00 0.00 H new ATOM 1260 N GLY A 76 86.982 -7.497 0.475 1.00 0.00 N ATOM 1261 CA GLY A 76 87.487 -7.424 1.842 1.00 0.00 C ATOM 1262 C GLY A 76 88.971 -7.109 1.955 1.00 0.00 C ATOM 1263 O GLY A 76 89.406 -6.540 2.957 1.00 0.00 O ATOM 0 H GLY A 76 86.452 -6.680 0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 76 86.925 -6.662 2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 76 87.292 -8.375 2.338 1.00 0.00 H new ATOM 1267 N VAL A 77 89.742 -7.473 0.933 1.00 0.00 N ATOM 1268 CA VAL A 77 91.199 -7.322 0.952 1.00 0.00 C ATOM 1269 C VAL A 77 91.633 -5.910 1.348 1.00 0.00 C ATOM 1270 O VAL A 77 92.514 -5.747 2.188 1.00 0.00 O ATOM 1271 CB VAL A 77 91.814 -7.688 -0.415 1.00 0.00 C ATOM 1272 CG1 VAL A 77 93.326 -7.505 -0.403 1.00 0.00 C ATOM 1273 CG2 VAL A 77 91.453 -9.118 -0.788 1.00 0.00 C ATOM 0 H VAL A 77 89.379 -7.879 0.071 1.00 0.00 H new ATOM 0 HA VAL A 77 91.569 -8.013 1.710 1.00 0.00 H new ATOM 0 HB VAL A 77 91.401 -7.014 -1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 77 93.732 -7.770 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 77 93.565 -6.465 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 77 93.764 -8.149 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 77 91.893 -9.364 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 77 91.838 -9.800 -0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 77 90.369 -9.216 -0.847 1.00 0.00 H new ATOM 1283 N GLY A 78 91.007 -4.897 0.753 1.00 0.00 N ATOM 1284 CA GLY A 78 91.351 -3.521 1.078 1.00 0.00 C ATOM 1285 C GLY A 78 91.160 -3.204 2.550 1.00 0.00 C ATOM 1286 O GLY A 78 92.027 -2.599 3.181 1.00 0.00 O ATOM 0 H GLY A 78 90.271 -5.003 0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 78 92.389 -3.335 0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 78 90.737 -2.846 0.482 1.00 0.00 H new ATOM 1290 N GLN A 79 90.027 -3.627 3.100 1.00 0.00 N ATOM 1291 CA GLN A 79 89.714 -3.377 4.500 1.00 0.00 C ATOM 1292 C GLN A 79 90.686 -4.116 5.410 1.00 0.00 C ATOM 1293 O GLN A 79 91.160 -3.568 6.407 1.00 0.00 O ATOM 1294 CB GLN A 79 88.275 -3.796 4.809 1.00 0.00 C ATOM 1295 CG GLN A 79 87.230 -2.923 4.132 1.00 0.00 C ATOM 1296 CD GLN A 79 85.833 -3.498 4.233 1.00 0.00 C ATOM 1297 OE1 GLN A 79 85.404 -4.258 3.368 1.00 0.00 O ATOM 1298 NE2 GLN A 79 85.113 -3.143 5.286 1.00 0.00 N ATOM 0 H GLN A 79 89.309 -4.146 2.595 1.00 0.00 H new ATOM 0 HA GLN A 79 89.814 -2.308 4.686 1.00 0.00 H new ATOM 0 HB2 GLN A 79 88.131 -4.830 4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 79 88.120 -3.765 5.887 1.00 0.00 H new ATOM 0 HG2 GLN A 79 87.244 -1.931 4.584 1.00 0.00 H new ATOM 0 HG3 GLN A 79 87.492 -2.799 3.081 1.00 0.00 H new ATOM 0 HE21 GLN A 79 85.506 -2.509 5.982 1.00 0.00 H new ATOM 0 HE22 GLN A 79 84.166 -3.503 5.401 1.00 0.00 H new ATOM 1307 N TYR A 80 90.998 -5.356 5.052 1.00 0.00 N ATOM 1308 CA TYR A 80 91.914 -6.156 5.844 1.00 0.00 C ATOM 1309 C TYR A 80 93.327 -5.588 5.766 1.00 0.00 C ATOM 1310 O TYR A 80 94.024 -5.530 6.772 1.00 0.00 O ATOM 1311 CB TYR A 80 91.911 -7.618 5.395 1.00 0.00 C ATOM 1312 CG TYR A 80 92.804 -8.486 6.251 1.00 0.00 C ATOM 1313 CD1 TYR A 80 92.383 -8.924 7.500 1.00 0.00 C ATOM 1314 CD2 TYR A 80 94.079 -8.839 5.827 1.00 0.00 C ATOM 1315 CE1 TYR A 80 93.204 -9.693 8.300 1.00 0.00 C ATOM 1316 CE2 TYR A 80 94.909 -9.601 6.624 1.00 0.00 C ATOM 1317 CZ TYR A 80 94.466 -10.026 7.860 1.00 0.00 C ATOM 1318 OH TYR A 80 95.294 -10.774 8.662 1.00 0.00 O ATOM 0 H TYR A 80 90.631 -5.824 4.223 1.00 0.00 H new ATOM 0 HA TYR A 80 91.573 -6.119 6.879 1.00 0.00 H new ATOM 0 HB2 TYR A 80 90.892 -8.004 5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 80 92.239 -7.677 4.357 1.00 0.00 H new ATOM 0 HD1 TYR A 80 91.397 -8.658 7.851 1.00 0.00 H new ATOM 0 HD2 TYR A 80 94.426 -8.512 4.858 1.00 0.00 H new ATOM 0 HE1 TYR A 80 92.859 -10.032 9.266 1.00 0.00 H new ATOM 0 HE2 TYR A 80 95.899 -9.863 6.282 1.00 0.00 H new ATOM 0 HH TYR A 80 96.216 -10.457 8.565 1.00 0.00 H new ATOM 1328 N LEU A 81 93.737 -5.178 4.567 1.00 0.00 N ATOM 1329 CA LEU A 81 95.044 -4.564 4.354 1.00 0.00 C ATOM 1330 C LEU A 81 95.308 -3.468 5.382 1.00 0.00 C ATOM 1331 O LEU A 81 96.344 -3.464 6.047 1.00 0.00 O ATOM 1332 CB LEU A 81 95.116 -3.966 2.949 1.00 0.00 C ATOM 1333 CG LEU A 81 96.468 -3.367 2.568 1.00 0.00 C ATOM 1334 CD1 LEU A 81 97.483 -4.465 2.336 1.00 0.00 C ATOM 1335 CD2 LEU A 81 96.335 -2.486 1.336 1.00 0.00 C ATOM 0 H LEU A 81 93.175 -5.262 3.720 1.00 0.00 H new ATOM 0 HA LEU A 81 95.803 -5.338 4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 81 94.864 -4.743 2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 81 94.355 -3.191 2.862 1.00 0.00 H new ATOM 0 HG LEU A 81 96.817 -2.745 3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 81 98.442 -4.023 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 81 97.599 -5.052 3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 81 97.141 -5.112 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 81 97.309 -2.068 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 81 95.965 -3.081 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 81 95.636 -1.676 1.542 1.00 0.00 H new ATOM 1347 N LEU A 82 94.357 -2.549 5.511 1.00 0.00 N ATOM 1348 CA LEU A 82 94.488 -1.447 6.453 1.00 0.00 C ATOM 1349 C LEU A 82 94.632 -1.952 7.885 1.00 0.00 C ATOM 1350 O LEU A 82 95.578 -1.592 8.583 1.00 0.00 O ATOM 1351 CB LEU A 82 93.291 -0.499 6.350 1.00 0.00 C ATOM 1352 CG LEU A 82 93.433 0.635 5.326 1.00 0.00 C ATOM 1353 CD1 LEU A 82 94.605 1.529 5.688 1.00 0.00 C ATOM 1354 CD2 LEU A 82 93.596 0.091 3.915 1.00 0.00 C ATOM 0 H LEU A 82 93.489 -2.547 4.975 1.00 0.00 H new ATOM 0 HA LEU A 82 95.394 -0.901 6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 82 92.407 -1.084 6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 82 93.113 -0.059 7.331 1.00 0.00 H new ATOM 0 HG LEU A 82 92.517 1.226 5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 82 94.693 2.329 4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 82 94.442 1.960 6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 82 95.523 0.941 5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 82 93.694 0.920 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 82 94.489 -0.533 3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 82 92.722 -0.505 3.652 1.00 0.00 H new ATOM 1366 N GLU A 83 93.713 -2.808 8.315 1.00 0.00 N ATOM 1367 CA GLU A 83 93.706 -3.269 9.700 1.00 0.00 C ATOM 1368 C GLU A 83 94.858 -4.235 9.981 1.00 0.00 C ATOM 1369 O GLU A 83 95.197 -4.486 11.137 1.00 0.00 O ATOM 1370 CB GLU A 83 92.360 -3.900 10.057 1.00 0.00 C ATOM 1371 CG GLU A 83 91.211 -2.905 9.990 1.00 0.00 C ATOM 1372 CD GLU A 83 89.992 -3.350 10.770 1.00 0.00 C ATOM 1373 OE1 GLU A 83 90.134 -3.630 11.979 1.00 0.00 O ATOM 1374 OE2 GLU A 83 88.882 -3.367 10.201 1.00 0.00 O ATOM 0 H GLU A 83 92.970 -3.194 7.733 1.00 0.00 H new ATOM 0 HA GLU A 83 93.853 -2.396 10.337 1.00 0.00 H new ATOM 0 HB2 GLU A 83 92.159 -4.728 9.377 1.00 0.00 H new ATOM 0 HB3 GLU A 83 92.415 -4.319 11.062 1.00 0.00 H new ATOM 0 HG2 GLU A 83 91.549 -1.943 10.374 1.00 0.00 H new ATOM 0 HG3 GLU A 83 90.932 -2.752 8.948 1.00 0.00 H new ATOM 1381 N GLU A 84 95.458 -4.771 8.927 1.00 0.00 N ATOM 1382 CA GLU A 84 96.664 -5.579 9.060 1.00 0.00 C ATOM 1383 C GLU A 84 97.833 -4.684 9.467 1.00 0.00 C ATOM 1384 O GLU A 84 98.617 -5.025 10.353 1.00 0.00 O ATOM 1385 CB GLU A 84 96.964 -6.305 7.741 1.00 0.00 C ATOM 1386 CG GLU A 84 98.222 -7.162 7.757 1.00 0.00 C ATOM 1387 CD GLU A 84 98.191 -8.256 8.806 1.00 0.00 C ATOM 1388 OE1 GLU A 84 97.509 -9.281 8.590 1.00 0.00 O ATOM 1389 OE2 GLU A 84 98.859 -8.098 9.846 1.00 0.00 O ATOM 0 H GLU A 84 95.129 -4.661 7.968 1.00 0.00 H new ATOM 0 HA GLU A 84 96.513 -6.333 9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 84 96.113 -6.938 7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 84 97.056 -5.564 6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 84 98.357 -7.614 6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 84 99.086 -6.522 7.935 1.00 0.00 H new ATOM 1396 N VAL A 85 97.921 -3.519 8.837 1.00 0.00 N ATOM 1397 CA VAL A 85 98.948 -2.541 9.177 1.00 0.00 C ATOM 1398 C VAL A 85 98.718 -1.997 10.586 1.00 0.00 C ATOM 1399 O VAL A 85 99.659 -1.842 11.366 1.00 0.00 O ATOM 1400 CB VAL A 85 98.974 -1.371 8.166 1.00 0.00 C ATOM 1401 CG1 VAL A 85 100.052 -0.361 8.528 1.00 0.00 C ATOM 1402 CG2 VAL A 85 99.184 -1.891 6.753 1.00 0.00 C ATOM 0 H VAL A 85 97.293 -3.228 8.087 1.00 0.00 H new ATOM 0 HA VAL A 85 99.911 -3.049 9.136 1.00 0.00 H new ATOM 0 HB VAL A 85 98.009 -0.866 8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 85 100.049 0.451 7.801 1.00 0.00 H new ATOM 0 HG12 VAL A 85 99.855 0.041 9.522 1.00 0.00 H new ATOM 0 HG13 VAL A 85 101.026 -0.850 8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 85 99.199 -1.053 6.056 1.00 0.00 H new ATOM 0 HG22 VAL A 85 100.132 -2.426 6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 85 98.371 -2.567 6.490 1.00 0.00 H new ATOM 1412 N LEU A 86 97.454 -1.736 10.914 1.00 0.00 N ATOM 1413 CA LEU A 86 97.085 -1.242 12.240 1.00 0.00 C ATOM 1414 C LEU A 86 97.326 -2.308 13.312 1.00 0.00 C ATOM 1415 O LEU A 86 97.431 -1.998 14.500 1.00 0.00 O ATOM 1416 CB LEU A 86 95.617 -0.786 12.263 1.00 0.00 C ATOM 1417 CG LEU A 86 95.356 0.656 11.796 1.00 0.00 C ATOM 1418 CD1 LEU A 86 95.828 0.875 10.366 1.00 0.00 C ATOM 1419 CD2 LEU A 86 93.879 0.998 11.920 1.00 0.00 C ATOM 0 H LEU A 86 96.666 -1.859 10.278 1.00 0.00 H new ATOM 0 HA LEU A 86 97.719 -0.384 12.463 1.00 0.00 H new ATOM 0 HB2 LEU A 86 95.037 -1.462 11.635 1.00 0.00 H new ATOM 0 HB3 LEU A 86 95.239 -0.892 13.280 1.00 0.00 H new ATOM 0 HG LEU A 86 95.929 1.320 12.443 1.00 0.00 H new ATOM 0 HD11 LEU A 86 95.627 1.905 10.070 1.00 0.00 H new ATOM 0 HD12 LEU A 86 96.899 0.681 10.303 1.00 0.00 H new ATOM 0 HD13 LEU A 86 95.296 0.196 9.699 1.00 0.00 H new ATOM 0 HD21 LEU A 86 93.713 2.022 11.585 1.00 0.00 H new ATOM 0 HD22 LEU A 86 93.294 0.315 11.303 1.00 0.00 H new ATOM 0 HD23 LEU A 86 93.569 0.902 12.961 1.00 0.00 H new ATOM 1431 N ARG A 87 97.403 -3.564 12.890 1.00 0.00 N ATOM 1432 CA ARG A 87 97.723 -4.656 13.800 1.00 0.00 C ATOM 1433 C ARG A 87 99.235 -4.764 13.969 1.00 0.00 C ATOM 1434 O ARG A 87 99.736 -4.983 15.071 1.00 0.00 O ATOM 1435 CB ARG A 87 97.178 -5.983 13.270 1.00 0.00 C ATOM 1436 CG ARG A 87 97.361 -7.141 14.237 1.00 0.00 C ATOM 1437 CD ARG A 87 97.264 -8.482 13.527 1.00 0.00 C ATOM 1438 NE ARG A 87 98.301 -8.624 12.506 1.00 0.00 N ATOM 1439 CZ ARG A 87 99.548 -9.026 12.750 1.00 0.00 C ATOM 1440 NH1 ARG A 87 99.917 -9.402 13.971 1.00 0.00 N ATOM 1441 NH2 ARG A 87 100.418 -9.068 11.757 1.00 0.00 N ATOM 0 H ARG A 87 97.248 -3.851 11.924 1.00 0.00 H new ATOM 0 HA ARG A 87 97.258 -4.444 14.763 1.00 0.00 H new ATOM 0 HB2 ARG A 87 96.117 -5.869 13.049 1.00 0.00 H new ATOM 0 HB3 ARG A 87 97.676 -6.222 12.330 1.00 0.00 H new ATOM 0 HG2 ARG A 87 98.331 -7.057 14.727 1.00 0.00 H new ATOM 0 HG3 ARG A 87 96.603 -7.087 15.019 1.00 0.00 H new ATOM 0 HD2 ARG A 87 97.356 -9.288 14.255 1.00 0.00 H new ATOM 0 HD3 ARG A 87 96.281 -8.580 13.065 1.00 0.00 H new ATOM 0 HE ARG A 87 98.053 -8.400 11.542 1.00 0.00 H new ATOM 0 HH11 ARG A 87 99.242 -9.385 14.736 1.00 0.00 H new ATOM 0 HH12 ARG A 87 100.875 -9.707 14.143 1.00 0.00 H new ATOM 0 HH21 ARG A 87 100.132 -8.795 10.817 1.00 0.00 H new ATOM 0 HH22 ARG A 87 101.375 -9.374 11.930 1.00 0.00 H new ATOM 1455 N ASN A 88 99.948 -4.605 12.859 1.00 0.00 N ATOM 1456 CA ASN A 88 101.405 -4.694 12.851 1.00 0.00 C ATOM 1457 C ASN A 88 102.019 -3.575 13.687 1.00 0.00 C ATOM 1458 O ASN A 88 103.005 -3.784 14.397 1.00 0.00 O ATOM 1459 CB ASN A 88 101.933 -4.625 11.412 1.00 0.00 C ATOM 1460 CG ASN A 88 103.438 -4.819 11.324 1.00 0.00 C ATOM 1461 OD1 ASN A 88 103.923 -5.948 11.221 1.00 0.00 O ATOM 1462 ND2 ASN A 88 104.186 -3.726 11.339 1.00 0.00 N ATOM 0 H ASN A 88 99.537 -4.412 11.946 1.00 0.00 H new ATOM 0 HA ASN A 88 101.692 -5.650 13.289 1.00 0.00 H new ATOM 0 HB2 ASN A 88 101.438 -5.388 10.812 1.00 0.00 H new ATOM 0 HB3 ASN A 88 101.670 -3.659 10.980 1.00 0.00 H new ATOM 0 HD21 ASN A 88 105.200 -3.801 11.264 1.00 0.00 H new ATOM 0 HD22 ASN A 88 103.748 -2.809 11.426 1.00 0.00 H new ATOM 1469 N ASN A 89 101.433 -2.388 13.602 1.00 0.00 N ATOM 1470 CA ASN A 89 101.900 -1.252 14.385 1.00 0.00 C ATOM 1471 C ASN A 89 100.798 -0.751 15.319 1.00 0.00 C ATOM 1472 O ASN A 89 100.139 0.246 15.033 1.00 0.00 O ATOM 1473 CB ASN A 89 102.365 -0.111 13.470 1.00 0.00 C ATOM 1474 CG ASN A 89 103.579 -0.474 12.631 1.00 0.00 C ATOM 1475 OD1 ASN A 89 103.453 -1.000 11.525 1.00 0.00 O ATOM 1476 ND2 ASN A 89 104.765 -0.186 13.145 1.00 0.00 N ATOM 0 H ASN A 89 100.635 -2.187 13.000 1.00 0.00 H new ATOM 0 HA ASN A 89 102.747 -1.586 14.985 1.00 0.00 H new ATOM 0 HB2 ASN A 89 101.546 0.173 12.809 1.00 0.00 H new ATOM 0 HB3 ASN A 89 102.600 0.762 14.079 1.00 0.00 H new ATOM 0 HD21 ASN A 89 105.614 -0.400 12.621 1.00 0.00 H new ATOM 0 HD22 ASN A 89 104.830 0.250 14.065 1.00 0.00 H new ATOM 1483 N PRO A 90 100.579 -1.438 16.454 1.00 0.00 N ATOM 1484 CA PRO A 90 99.525 -1.078 17.402 1.00 0.00 C ATOM 1485 C PRO A 90 99.960 0.027 18.360 1.00 0.00 C ATOM 1486 O PRO A 90 99.208 0.427 19.249 1.00 0.00 O ATOM 1487 CB PRO A 90 99.292 -2.385 18.155 1.00 0.00 C ATOM 1488 CG PRO A 90 100.623 -3.056 18.165 1.00 0.00 C ATOM 1489 CD PRO A 90 101.331 -2.628 16.901 1.00 0.00 C ATOM 0 HA PRO A 90 98.636 -0.684 16.909 1.00 0.00 H new ATOM 0 HB2 PRO A 90 98.934 -2.200 19.168 1.00 0.00 H new ATOM 0 HB3 PRO A 90 98.542 -3.000 17.658 1.00 0.00 H new ATOM 0 HG2 PRO A 90 101.196 -2.768 19.047 1.00 0.00 H new ATOM 0 HG3 PRO A 90 100.510 -4.140 18.198 1.00 0.00 H new ATOM 0 HD2 PRO A 90 102.378 -2.390 17.091 1.00 0.00 H new ATOM 0 HD3 PRO A 90 101.315 -3.416 16.148 1.00 0.00 H new ATOM 1497 N GLY A 91 101.179 0.516 18.166 1.00 0.00 N ATOM 1498 CA GLY A 91 101.708 1.566 19.014 1.00 0.00 C ATOM 1499 C GLY A 91 101.463 2.941 18.432 1.00 0.00 C ATOM 1500 O GLY A 91 102.023 3.932 18.901 1.00 0.00 O ATOM 0 H GLY A 91 101.813 0.201 17.432 1.00 0.00 H new ATOM 0 HA2 GLY A 91 101.248 1.502 20.000 1.00 0.00 H new ATOM 0 HA3 GLY A 91 102.779 1.416 19.152 1.00 0.00 H new ATOM 1504 N VAL A 92 100.637 2.992 17.396 1.00 0.00 N ATOM 1505 CA VAL A 92 100.276 4.246 16.755 1.00 0.00 C ATOM 1506 C VAL A 92 98.834 4.601 17.101 1.00 0.00 C ATOM 1507 O VAL A 92 97.930 3.783 16.926 1.00 0.00 O ATOM 1508 CB VAL A 92 100.437 4.158 15.222 1.00 0.00 C ATOM 1509 CG1 VAL A 92 100.032 5.463 14.555 1.00 0.00 C ATOM 1510 CG2 VAL A 92 101.869 3.792 14.856 1.00 0.00 C ATOM 0 H VAL A 92 100.201 2.169 16.979 1.00 0.00 H new ATOM 0 HA VAL A 92 100.947 5.023 17.123 1.00 0.00 H new ATOM 0 HB VAL A 92 99.774 3.373 14.857 1.00 0.00 H new ATOM 0 HG11 VAL A 92 100.155 5.373 13.476 1.00 0.00 H new ATOM 0 HG12 VAL A 92 98.989 5.680 14.784 1.00 0.00 H new ATOM 0 HG13 VAL A 92 100.661 6.272 14.926 1.00 0.00 H new ATOM 0 HG21 VAL A 92 101.964 3.734 13.772 1.00 0.00 H new ATOM 0 HG22 VAL A 92 102.548 4.553 15.240 1.00 0.00 H new ATOM 0 HG23 VAL A 92 102.121 2.826 15.294 1.00 0.00 H new ATOM 1520 N SER A 93 98.627 5.810 17.600 1.00 0.00 N ATOM 1521 CA SER A 93 97.312 6.229 18.058 1.00 0.00 C ATOM 1522 C SER A 93 96.466 6.776 16.911 1.00 0.00 C ATOM 1523 O SER A 93 95.345 6.324 16.684 1.00 0.00 O ATOM 1524 CB SER A 93 97.459 7.292 19.145 1.00 0.00 C ATOM 1525 OG SER A 93 98.398 6.886 20.126 1.00 0.00 O ATOM 0 H SER A 93 99.354 6.519 17.698 1.00 0.00 H new ATOM 0 HA SER A 93 96.802 5.355 18.463 1.00 0.00 H new ATOM 0 HB2 SER A 93 97.778 8.233 18.698 1.00 0.00 H new ATOM 0 HB3 SER A 93 96.492 7.474 19.614 1.00 0.00 H new ATOM 0 HG SER A 93 98.477 7.582 20.811 1.00 0.00 H new ATOM 1531 N CYS A 94 97.009 7.744 16.184 1.00 0.00 N ATOM 1532 CA CYS A 94 96.252 8.426 15.144 1.00 0.00 C ATOM 1533 C CYS A 94 96.665 7.943 13.759 1.00 0.00 C ATOM 1534 O CYS A 94 97.816 8.117 13.343 1.00 0.00 O ATOM 1535 CB CYS A 94 96.452 9.939 15.258 1.00 0.00 C ATOM 1536 SG CYS A 94 95.529 10.908 14.042 1.00 0.00 S ATOM 0 H CYS A 94 97.968 8.073 16.295 1.00 0.00 H new ATOM 0 HA CYS A 94 95.196 8.193 15.282 1.00 0.00 H new ATOM 0 HB2 CYS A 94 96.158 10.258 16.258 1.00 0.00 H new ATOM 0 HB3 CYS A 94 97.514 10.162 15.152 1.00 0.00 H new ATOM 0 HG CYS A 94 94.430 10.285 13.734 1.00 0.00 H new ATOM 1542 N TRP A 95 95.725 7.328 13.057 1.00 0.00 N ATOM 1543 CA TRP A 95 95.954 6.883 11.692 1.00 0.00 C ATOM 1544 C TRP A 95 95.208 7.782 10.718 1.00 0.00 C ATOM 1545 O TRP A 95 93.977 7.796 10.689 1.00 0.00 O ATOM 1546 CB TRP A 95 95.505 5.431 11.513 1.00 0.00 C ATOM 1547 CG TRP A 95 96.332 4.447 12.283 1.00 0.00 C ATOM 1548 CD1 TRP A 95 96.106 3.997 13.551 1.00 0.00 C ATOM 1549 CD2 TRP A 95 97.519 3.789 11.828 1.00 0.00 C ATOM 1550 NE1 TRP A 95 97.081 3.099 13.912 1.00 0.00 N ATOM 1551 CE2 TRP A 95 97.958 2.952 12.870 1.00 0.00 C ATOM 1552 CE3 TRP A 95 98.252 3.823 10.638 1.00 0.00 C ATOM 1553 CZ2 TRP A 95 99.096 2.159 12.758 1.00 0.00 C ATOM 1554 CZ3 TRP A 95 99.381 3.035 10.529 1.00 0.00 C ATOM 1555 CH2 TRP A 95 99.793 2.212 11.584 1.00 0.00 C ATOM 0 H TRP A 95 94.791 7.125 13.414 1.00 0.00 H new ATOM 0 HA TRP A 95 97.023 6.942 11.486 1.00 0.00 H new ATOM 0 HB2 TRP A 95 94.464 5.340 11.825 1.00 0.00 H new ATOM 0 HB3 TRP A 95 95.544 5.176 10.454 1.00 0.00 H new ATOM 0 HD1 TRP A 95 95.282 4.302 14.179 1.00 0.00 H new ATOM 0 HE1 TRP A 95 97.142 2.620 14.810 1.00 0.00 H new ATOM 0 HE3 TRP A 95 97.941 4.454 9.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 99.417 1.524 13.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 99.956 3.054 9.615 1.00 0.00 H new ATOM 0 HH2 TRP A 95 100.680 1.607 11.467 1.00 0.00 H new ATOM 1566 N TRP A 96 95.953 8.539 9.932 1.00 0.00 N ATOM 1567 CA TRP A 96 95.355 9.455 8.976 1.00 0.00 C ATOM 1568 C TRP A 96 95.491 8.901 7.564 1.00 0.00 C ATOM 1569 O TRP A 96 96.543 8.391 7.186 1.00 0.00 O ATOM 1570 CB TRP A 96 96.014 10.838 9.066 1.00 0.00 C ATOM 1571 CG TRP A 96 95.313 11.883 8.248 1.00 0.00 C ATOM 1572 CD1 TRP A 96 95.518 12.173 6.929 1.00 0.00 C ATOM 1573 CD2 TRP A 96 94.291 12.778 8.699 1.00 0.00 C ATOM 1574 NE1 TRP A 96 94.678 13.184 6.534 1.00 0.00 N ATOM 1575 CE2 TRP A 96 93.919 13.574 7.602 1.00 0.00 C ATOM 1576 CE3 TRP A 96 93.654 12.983 9.926 1.00 0.00 C ATOM 1577 CZ2 TRP A 96 92.937 14.554 7.692 1.00 0.00 C ATOM 1578 CZ3 TRP A 96 92.678 13.959 10.014 1.00 0.00 C ATOM 1579 CH2 TRP A 96 92.330 14.734 8.903 1.00 0.00 C ATOM 0 H TRP A 96 96.973 8.538 9.937 1.00 0.00 H new ATOM 0 HA TRP A 96 94.297 9.561 9.215 1.00 0.00 H new ATOM 0 HB2 TRP A 96 96.035 11.156 10.108 1.00 0.00 H new ATOM 0 HB3 TRP A 96 97.050 10.762 8.735 1.00 0.00 H new ATOM 0 HD1 TRP A 96 96.236 11.679 6.291 1.00 0.00 H new ATOM 0 HE1 TRP A 96 94.628 13.580 5.595 1.00 0.00 H new ATOM 0 HE3 TRP A 96 93.919 12.390 10.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 92.664 15.152 6.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 92.176 14.125 10.956 1.00 0.00 H new ATOM 0 HH2 TRP A 96 91.566 15.490 9.004 1.00 0.00 H new ATOM 1590 N MET A 97 94.422 8.998 6.796 1.00 0.00 N ATOM 1591 CA MET A 97 94.434 8.564 5.407 1.00 0.00 C ATOM 1592 C MET A 97 94.423 9.783 4.493 1.00 0.00 C ATOM 1593 O MET A 97 93.496 10.598 4.549 1.00 0.00 O ATOM 1594 CB MET A 97 93.227 7.666 5.122 1.00 0.00 C ATOM 1595 CG MET A 97 93.236 6.363 5.908 1.00 0.00 C ATOM 1596 SD MET A 97 94.611 5.283 5.469 1.00 0.00 S ATOM 1597 CE MET A 97 94.189 4.847 3.785 1.00 0.00 C ATOM 0 H MET A 97 93.528 9.375 7.111 1.00 0.00 H new ATOM 0 HA MET A 97 95.339 7.987 5.217 1.00 0.00 H new ATOM 0 HB2 MET A 97 92.314 8.214 5.355 1.00 0.00 H new ATOM 0 HB3 MET A 97 93.199 7.437 4.057 1.00 0.00 H new ATOM 0 HG2 MET A 97 93.284 6.588 6.973 1.00 0.00 H new ATOM 0 HG3 MET A 97 92.298 5.835 5.736 1.00 0.00 H new ATOM 0 HE1 MET A 97 94.846 4.048 3.440 1.00 0.00 H new ATOM 0 HE2 MET A 97 93.154 4.508 3.745 1.00 0.00 H new ATOM 0 HE3 MET A 97 94.310 5.719 3.142 1.00 0.00 H new ATOM 1607 N ALA A 98 95.458 9.918 3.669 1.00 0.00 N ATOM 1608 CA ALA A 98 95.603 11.089 2.816 1.00 0.00 C ATOM 1609 C ALA A 98 94.922 10.892 1.463 1.00 0.00 C ATOM 1610 O ALA A 98 94.896 9.787 0.921 1.00 0.00 O ATOM 1611 CB ALA A 98 97.077 11.415 2.627 1.00 0.00 C ATOM 0 H ALA A 98 96.206 9.231 3.575 1.00 0.00 H new ATOM 0 HA ALA A 98 95.110 11.926 3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 98 97.177 12.292 1.988 1.00 0.00 H new ATOM 0 HB2 ALA A 98 97.532 11.619 3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 98 97.580 10.568 2.161 1.00 0.00 H new ATOM 1617 N ASP A 99 94.364 11.977 0.941 1.00 0.00 N ATOM 1618 CA ASP A 99 93.727 11.975 -0.375 1.00 0.00 C ATOM 1619 C ASP A 99 94.789 12.086 -1.467 1.00 0.00 C ATOM 1620 O ASP A 99 95.038 11.134 -2.205 1.00 0.00 O ATOM 1621 CB ASP A 99 92.731 13.140 -0.471 1.00 0.00 C ATOM 1622 CG ASP A 99 92.047 13.244 -1.826 1.00 0.00 C ATOM 1623 OD1 ASP A 99 92.632 13.846 -2.753 1.00 0.00 O ATOM 1624 OD2 ASP A 99 90.906 12.758 -1.963 1.00 0.00 O ATOM 0 H ASP A 99 94.339 12.881 1.413 1.00 0.00 H new ATOM 0 HA ASP A 99 93.185 11.039 -0.513 1.00 0.00 H new ATOM 0 HB2 ASP A 99 91.972 13.023 0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 99 93.255 14.073 -0.265 1.00 0.00 H new ATOM 1629 N ALA A 100 95.409 13.263 -1.549 1.00 0.00 N ATOM 1630 CA ALA A 100 96.531 13.513 -2.459 1.00 0.00 C ATOM 1631 C ALA A 100 96.136 13.415 -3.934 1.00 0.00 C ATOM 1632 O ALA A 100 96.988 13.198 -4.797 1.00 0.00 O ATOM 1633 CB ALA A 100 97.692 12.573 -2.152 1.00 0.00 C ATOM 0 H ALA A 100 95.148 14.073 -0.986 1.00 0.00 H new ATOM 0 HA ALA A 100 96.848 14.542 -2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 100 98.515 12.775 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 100 98.027 12.732 -1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 100 97.365 11.540 -2.271 1.00 0.00 H new ATOM 1639 N GLY A 101 94.857 13.599 -4.228 1.00 0.00 N ATOM 1640 CA GLY A 101 94.420 13.626 -5.610 1.00 0.00 C ATOM 1641 C GLY A 101 93.512 12.469 -5.963 1.00 0.00 C ATOM 1642 O GLY A 101 93.630 11.884 -7.041 1.00 0.00 O ATOM 0 H GLY A 101 94.117 13.730 -3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 101 93.898 14.563 -5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 101 95.293 13.608 -6.262 1.00 0.00 H new ATOM 1646 N VAL A 102 92.614 12.125 -5.053 1.00 0.00 N ATOM 1647 CA VAL A 102 91.636 11.078 -5.319 1.00 0.00 C ATOM 1648 C VAL A 102 90.392 11.668 -5.977 1.00 0.00 C ATOM 1649 O VAL A 102 89.653 12.437 -5.357 1.00 0.00 O ATOM 1650 CB VAL A 102 91.225 10.328 -4.036 1.00 0.00 C ATOM 1651 CG1 VAL A 102 90.192 9.260 -4.354 1.00 0.00 C ATOM 1652 CG2 VAL A 102 92.439 9.706 -3.365 1.00 0.00 C ATOM 0 H VAL A 102 92.541 12.551 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 102 92.110 10.364 -5.992 1.00 0.00 H new ATOM 0 HB VAL A 102 90.782 11.047 -3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 102 89.913 8.740 -3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 102 89.309 9.727 -4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 102 90.613 8.546 -5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 102 92.127 9.182 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 102 92.911 9.001 -4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 102 93.151 10.489 -3.102 1.00 0.00 H new ATOM 1662 N GLU A 103 90.171 11.317 -7.236 1.00 0.00 N ATOM 1663 CA GLU A 103 89.025 11.821 -7.979 1.00 0.00 C ATOM 1664 C GLU A 103 87.778 11.004 -7.664 1.00 0.00 C ATOM 1665 O GLU A 103 86.666 11.529 -7.654 1.00 0.00 O ATOM 1666 CB GLU A 103 89.309 11.802 -9.482 1.00 0.00 C ATOM 1667 CG GLU A 103 90.528 12.619 -9.879 1.00 0.00 C ATOM 1668 CD GLU A 103 90.465 14.045 -9.371 1.00 0.00 C ATOM 1669 OE1 GLU A 103 89.680 14.844 -9.921 1.00 0.00 O ATOM 1670 OE2 GLU A 103 91.207 14.377 -8.423 1.00 0.00 O ATOM 0 H GLU A 103 90.771 10.684 -7.765 1.00 0.00 H new ATOM 0 HA GLU A 103 88.847 12.852 -7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 103 89.452 10.770 -9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 103 88.437 12.183 -10.013 1.00 0.00 H new ATOM 0 HG2 GLU A 103 91.425 12.138 -9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 103 90.617 12.628 -10.965 1.00 0.00 H new ATOM 1677 N ASP A 104 87.971 9.718 -7.394 1.00 0.00 N ATOM 1678 CA ASP A 104 86.867 8.844 -7.004 1.00 0.00 C ATOM 1679 C ASP A 104 86.666 8.906 -5.495 1.00 0.00 C ATOM 1680 O ASP A 104 86.675 7.884 -4.807 1.00 0.00 O ATOM 1681 CB ASP A 104 87.116 7.394 -7.435 1.00 0.00 C ATOM 1682 CG ASP A 104 87.046 7.198 -8.936 1.00 0.00 C ATOM 1683 OD1 ASP A 104 85.989 7.487 -9.536 1.00 0.00 O ATOM 1684 OD2 ASP A 104 88.050 6.743 -9.527 1.00 0.00 O ATOM 0 H ASP A 104 88.880 9.256 -7.437 1.00 0.00 H new ATOM 0 HA ASP A 104 85.968 9.195 -7.510 1.00 0.00 H new ATOM 0 HB2 ASP A 104 88.097 7.079 -7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 104 86.381 6.748 -6.956 1.00 0.00 H new ATOM 1689 N ARG A 105 86.476 10.117 -4.993 1.00 0.00 N ATOM 1690 CA ARG A 105 86.351 10.348 -3.562 1.00 0.00 C ATOM 1691 C ARG A 105 85.082 9.707 -3.013 1.00 0.00 C ATOM 1692 O ARG A 105 85.054 9.271 -1.864 1.00 0.00 O ATOM 1693 CB ARG A 105 86.374 11.850 -3.269 1.00 0.00 C ATOM 1694 CG ARG A 105 86.311 12.194 -1.788 1.00 0.00 C ATOM 1695 CD ARG A 105 86.738 13.630 -1.541 1.00 0.00 C ATOM 1696 NE ARG A 105 88.113 13.861 -1.986 1.00 0.00 N ATOM 1697 CZ ARG A 105 88.529 14.968 -2.593 1.00 0.00 C ATOM 1698 NH1 ARG A 105 87.703 15.990 -2.772 1.00 0.00 N ATOM 1699 NH2 ARG A 105 89.780 15.053 -3.010 1.00 0.00 N ATOM 0 H ARG A 105 86.405 10.961 -5.561 1.00 0.00 H new ATOM 0 HA ARG A 105 87.200 9.882 -3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 105 87.283 12.278 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 105 85.533 12.322 -3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 105 85.296 12.045 -1.420 1.00 0.00 H new ATOM 0 HG3 ARG A 105 86.956 11.518 -1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 105 86.065 14.307 -2.067 1.00 0.00 H new ATOM 0 HD3 ARG A 105 86.654 13.859 -0.479 1.00 0.00 H new ATOM 0 HE ARG A 105 88.798 13.123 -1.819 1.00 0.00 H new ATOM 0 HH11 ARG A 105 86.739 15.931 -2.443 1.00 0.00 H new ATOM 0 HH12 ARG A 105 88.031 16.835 -3.239 1.00 0.00 H new ATOM 0 HH21 ARG A 105 90.420 14.272 -2.865 1.00 0.00 H new ATOM 0 HH22 ARG A 105 90.106 15.900 -3.477 1.00 0.00 H new ATOM 1713 N GLY A 106 84.046 9.638 -3.841 1.00 0.00 N ATOM 1714 CA GLY A 106 82.799 9.015 -3.427 1.00 0.00 C ATOM 1715 C GLY A 106 82.994 7.568 -3.016 1.00 0.00 C ATOM 1716 O GLY A 106 82.667 7.183 -1.890 1.00 0.00 O ATOM 0 H GLY A 106 84.046 10.003 -4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 106 82.374 9.574 -2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 106 82.080 9.066 -4.245 1.00 0.00 H new ATOM 1720 N VAL A 107 83.548 6.771 -3.924 1.00 0.00 N ATOM 1721 CA VAL A 107 83.817 5.362 -3.652 1.00 0.00 C ATOM 1722 C VAL A 107 84.800 5.206 -2.492 1.00 0.00 C ATOM 1723 O VAL A 107 84.610 4.365 -1.612 1.00 0.00 O ATOM 1724 CB VAL A 107 84.378 4.641 -4.899 1.00 0.00 C ATOM 1725 CG1 VAL A 107 84.660 3.175 -4.600 1.00 0.00 C ATOM 1726 CG2 VAL A 107 83.417 4.767 -6.071 1.00 0.00 C ATOM 0 H VAL A 107 83.820 7.078 -4.858 1.00 0.00 H new ATOM 0 HA VAL A 107 82.866 4.903 -3.381 1.00 0.00 H new ATOM 0 HB VAL A 107 85.318 5.121 -5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 107 85.054 2.691 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 107 85.392 3.102 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 107 83.737 2.681 -4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 107 83.831 4.253 -6.938 1.00 0.00 H new ATOM 0 HG22 VAL A 107 82.459 4.318 -5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 107 83.271 5.820 -6.310 1.00 0.00 H new ATOM 1736 N MET A 108 85.836 6.038 -2.483 1.00 0.00 N ATOM 1737 CA MET A 108 86.870 5.960 -1.454 1.00 0.00 C ATOM 1738 C MET A 108 86.310 6.278 -0.073 1.00 0.00 C ATOM 1739 O MET A 108 86.690 5.648 0.911 1.00 0.00 O ATOM 1740 CB MET A 108 88.033 6.898 -1.780 1.00 0.00 C ATOM 1741 CG MET A 108 88.865 6.443 -2.968 1.00 0.00 C ATOM 1742 SD MET A 108 89.691 4.866 -2.684 1.00 0.00 S ATOM 1743 CE MET A 108 90.775 5.290 -1.321 1.00 0.00 C ATOM 0 H MET A 108 85.983 6.773 -3.175 1.00 0.00 H new ATOM 0 HA MET A 108 87.239 4.934 -1.441 1.00 0.00 H new ATOM 0 HB2 MET A 108 87.640 7.894 -1.982 1.00 0.00 H new ATOM 0 HB3 MET A 108 88.678 6.981 -0.905 1.00 0.00 H new ATOM 0 HG2 MET A 108 88.222 6.358 -3.844 1.00 0.00 H new ATOM 0 HG3 MET A 108 89.613 7.203 -3.194 1.00 0.00 H new ATOM 0 HE1 MET A 108 91.584 4.562 -1.260 1.00 0.00 H new ATOM 0 HE2 MET A 108 91.192 6.284 -1.484 1.00 0.00 H new ATOM 0 HE3 MET A 108 90.209 5.282 -0.390 1.00 0.00 H new ATOM 1753 N THR A 109 85.401 7.241 0.004 1.00 0.00 N ATOM 1754 CA THR A 109 84.792 7.600 1.277 1.00 0.00 C ATOM 1755 C THR A 109 83.911 6.461 1.786 1.00 0.00 C ATOM 1756 O THR A 109 83.937 6.134 2.972 1.00 0.00 O ATOM 1757 CB THR A 109 83.972 8.901 1.165 1.00 0.00 C ATOM 1758 OG1 THR A 109 84.812 9.952 0.670 1.00 0.00 O ATOM 1759 CG2 THR A 109 83.401 9.312 2.514 1.00 0.00 C ATOM 0 H THR A 109 85.071 7.784 -0.794 1.00 0.00 H new ATOM 0 HA THR A 109 85.596 7.773 1.992 1.00 0.00 H new ATOM 0 HB THR A 109 83.143 8.723 0.480 1.00 0.00 H new ATOM 0 HG1 THR A 109 84.854 9.904 -0.308 1.00 0.00 H new ATOM 0 HG21 THR A 109 82.828 10.233 2.401 1.00 0.00 H new ATOM 0 HG22 THR A 109 82.749 8.523 2.889 1.00 0.00 H new ATOM 0 HG23 THR A 109 84.216 9.476 3.219 1.00 0.00 H new ATOM 1767 N ALA A 110 83.161 5.840 0.881 1.00 0.00 N ATOM 1768 CA ALA A 110 82.336 4.687 1.233 1.00 0.00 C ATOM 1769 C ALA A 110 83.211 3.550 1.749 1.00 0.00 C ATOM 1770 O ALA A 110 82.856 2.849 2.699 1.00 0.00 O ATOM 1771 CB ALA A 110 81.521 4.232 0.032 1.00 0.00 C ATOM 0 H ALA A 110 83.107 6.114 -0.100 1.00 0.00 H new ATOM 0 HA ALA A 110 81.646 4.979 2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 110 80.912 3.372 0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 110 80.873 5.045 -0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 110 82.193 3.953 -0.779 1.00 0.00 H new ATOM 1777 N PHE A 111 84.365 3.386 1.114 1.00 0.00 N ATOM 1778 CA PHE A 111 85.354 2.406 1.534 1.00 0.00 C ATOM 1779 C PHE A 111 85.855 2.714 2.943 1.00 0.00 C ATOM 1780 O PHE A 111 85.888 1.837 3.806 1.00 0.00 O ATOM 1781 CB PHE A 111 86.520 2.398 0.540 1.00 0.00 C ATOM 1782 CG PHE A 111 87.713 1.600 0.985 1.00 0.00 C ATOM 1783 CD1 PHE A 111 87.668 0.217 1.016 1.00 0.00 C ATOM 1784 CD2 PHE A 111 88.887 2.238 1.354 1.00 0.00 C ATOM 1785 CE1 PHE A 111 88.772 -0.517 1.408 1.00 0.00 C ATOM 1786 CE2 PHE A 111 89.991 1.510 1.749 1.00 0.00 C ATOM 1787 CZ PHE A 111 89.934 0.132 1.774 1.00 0.00 C ATOM 0 H PHE A 111 84.640 3.928 0.295 1.00 0.00 H new ATOM 0 HA PHE A 111 84.890 1.420 1.551 1.00 0.00 H new ATOM 0 HB2 PHE A 111 86.167 2.000 -0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 111 86.834 3.426 0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 111 86.760 -0.294 0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 111 88.938 3.317 1.332 1.00 0.00 H new ATOM 0 HE1 PHE A 111 88.725 -1.596 1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 111 90.899 2.019 2.038 1.00 0.00 H new ATOM 0 HZ PHE A 111 90.798 -0.439 2.080 1.00 0.00 H new ATOM 1797 N MET A 112 86.223 3.971 3.167 1.00 0.00 N ATOM 1798 CA MET A 112 86.751 4.405 4.455 1.00 0.00 C ATOM 1799 C MET A 112 85.716 4.230 5.560 1.00 0.00 C ATOM 1800 O MET A 112 86.036 3.761 6.650 1.00 0.00 O ATOM 1801 CB MET A 112 87.191 5.869 4.386 1.00 0.00 C ATOM 1802 CG MET A 112 88.330 6.123 3.412 1.00 0.00 C ATOM 1803 SD MET A 112 89.841 5.247 3.855 1.00 0.00 S ATOM 1804 CE MET A 112 90.917 5.762 2.520 1.00 0.00 C ATOM 0 H MET A 112 86.165 4.711 2.468 1.00 0.00 H new ATOM 0 HA MET A 112 87.614 3.782 4.688 1.00 0.00 H new ATOM 0 HB2 MET A 112 86.337 6.482 4.099 1.00 0.00 H new ATOM 0 HB3 MET A 112 87.497 6.194 5.381 1.00 0.00 H new ATOM 0 HG2 MET A 112 88.020 5.820 2.412 1.00 0.00 H new ATOM 0 HG3 MET A 112 88.535 7.193 3.372 1.00 0.00 H new ATOM 0 HE1 MET A 112 91.472 4.901 2.148 1.00 0.00 H new ATOM 0 HE2 MET A 112 90.319 6.185 1.713 1.00 0.00 H new ATOM 0 HE3 MET A 112 91.616 6.514 2.886 1.00 0.00 H new ATOM 1814 N GLN A 113 84.474 4.599 5.272 1.00 0.00 N ATOM 1815 CA GLN A 113 83.396 4.493 6.248 1.00 0.00 C ATOM 1816 C GLN A 113 83.164 3.041 6.659 1.00 0.00 C ATOM 1817 O GLN A 113 82.935 2.751 7.833 1.00 0.00 O ATOM 1818 CB GLN A 113 82.109 5.101 5.689 1.00 0.00 C ATOM 1819 CG GLN A 113 82.183 6.610 5.511 1.00 0.00 C ATOM 1820 CD GLN A 113 80.935 7.190 4.877 1.00 0.00 C ATOM 1821 OE1 GLN A 113 80.273 6.543 4.065 1.00 0.00 O ATOM 1822 NE2 GLN A 113 80.608 8.421 5.240 1.00 0.00 N ATOM 0 H GLN A 113 84.188 4.975 4.368 1.00 0.00 H new ATOM 0 HA GLN A 113 83.691 5.051 7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 113 81.885 4.639 4.727 1.00 0.00 H new ATOM 0 HB3 GLN A 113 81.282 4.861 6.358 1.00 0.00 H new ATOM 0 HG2 GLN A 113 82.342 7.078 6.482 1.00 0.00 H new ATOM 0 HG3 GLN A 113 83.047 6.856 4.893 1.00 0.00 H new ATOM 0 HE21 GLN A 113 81.183 8.923 5.916 1.00 0.00 H new ATOM 0 HE22 GLN A 113 79.781 8.867 4.843 1.00 0.00 H new ATOM 1831 N ALA A 114 83.250 2.131 5.696 1.00 0.00 N ATOM 1832 CA ALA A 114 83.068 0.710 5.967 1.00 0.00 C ATOM 1833 C ALA A 114 84.269 0.141 6.721 1.00 0.00 C ATOM 1834 O ALA A 114 84.170 -0.886 7.393 1.00 0.00 O ATOM 1835 CB ALA A 114 82.846 -0.054 4.670 1.00 0.00 C ATOM 0 H ALA A 114 83.445 2.352 4.719 1.00 0.00 H new ATOM 0 HA ALA A 114 82.185 0.594 6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 114 82.712 -1.113 4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 114 81.956 0.328 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 114 83.711 0.075 4.019 1.00 0.00 H new ATOM 1841 N LEU A 115 85.404 0.819 6.607 1.00 0.00 N ATOM 1842 CA LEU A 115 86.627 0.399 7.278 1.00 0.00 C ATOM 1843 C LEU A 115 86.729 1.056 8.657 1.00 0.00 C ATOM 1844 O LEU A 115 87.668 0.809 9.416 1.00 0.00 O ATOM 1845 CB LEU A 115 87.837 0.768 6.417 1.00 0.00 C ATOM 1846 CG LEU A 115 88.875 -0.339 6.214 1.00 0.00 C ATOM 1847 CD1 LEU A 115 89.901 0.094 5.186 1.00 0.00 C ATOM 1848 CD2 LEU A 115 89.565 -0.691 7.521 1.00 0.00 C ATOM 0 H LEU A 115 85.503 1.669 6.051 1.00 0.00 H new ATOM 0 HA LEU A 115 86.607 -0.682 7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 115 87.479 1.087 5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 115 88.333 1.626 6.870 1.00 0.00 H new ATOM 0 HG LEU A 115 88.357 -1.228 5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 115 90.635 -0.700 5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 115 89.403 0.296 4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 115 90.404 0.997 5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 115 90.296 -1.480 7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 115 90.070 0.191 7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 115 88.824 -1.037 8.242 1.00 0.00 H new ATOM 1860 N GLY A 116 85.759 1.904 8.971 1.00 0.00 N ATOM 1861 CA GLY A 116 85.717 2.535 10.275 1.00 0.00 C ATOM 1862 C GLY A 116 86.569 3.787 10.356 1.00 0.00 C ATOM 1863 O GLY A 116 87.140 4.087 11.403 1.00 0.00 O ATOM 0 H GLY A 116 84.999 2.167 8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 116 84.685 2.789 10.517 1.00 0.00 H new ATOM 0 HA3 GLY A 116 86.055 1.823 11.028 1.00 0.00 H new ATOM 1867 N PHE A 117 86.674 4.508 9.249 1.00 0.00 N ATOM 1868 CA PHE A 117 87.401 5.769 9.231 1.00 0.00 C ATOM 1869 C PHE A 117 86.437 6.939 9.352 1.00 0.00 C ATOM 1870 O PHE A 117 85.352 6.933 8.764 1.00 0.00 O ATOM 1871 CB PHE A 117 88.233 5.909 7.951 1.00 0.00 C ATOM 1872 CG PHE A 117 89.449 5.030 7.919 1.00 0.00 C ATOM 1873 CD1 PHE A 117 90.656 5.479 8.427 1.00 0.00 C ATOM 1874 CD2 PHE A 117 89.385 3.756 7.385 1.00 0.00 C ATOM 1875 CE1 PHE A 117 91.778 4.672 8.404 1.00 0.00 C ATOM 1876 CE2 PHE A 117 90.503 2.944 7.358 1.00 0.00 C ATOM 1877 CZ PHE A 117 91.701 3.402 7.868 1.00 0.00 C ATOM 0 H PHE A 117 86.266 4.242 8.353 1.00 0.00 H new ATOM 0 HA PHE A 117 88.079 5.775 10.084 1.00 0.00 H new ATOM 0 HB2 PHE A 117 87.604 5.674 7.092 1.00 0.00 H new ATOM 0 HB3 PHE A 117 88.544 6.948 7.843 1.00 0.00 H new ATOM 0 HD1 PHE A 117 90.722 6.472 8.846 1.00 0.00 H new ATOM 0 HD2 PHE A 117 88.451 3.391 6.984 1.00 0.00 H new ATOM 0 HE1 PHE A 117 92.713 5.034 8.805 1.00 0.00 H new ATOM 0 HE2 PHE A 117 90.439 1.951 6.938 1.00 0.00 H new ATOM 0 HZ PHE A 117 92.576 2.769 7.848 1.00 0.00 H new ATOM 1887 N THR A 118 86.834 7.934 10.121 1.00 0.00 N ATOM 1888 CA THR A 118 86.030 9.123 10.312 1.00 0.00 C ATOM 1889 C THR A 118 86.391 10.167 9.260 1.00 0.00 C ATOM 1890 O THR A 118 87.549 10.275 8.855 1.00 0.00 O ATOM 1891 CB THR A 118 86.251 9.698 11.725 1.00 0.00 C ATOM 1892 OG1 THR A 118 86.066 8.657 12.692 1.00 0.00 O ATOM 1893 CG2 THR A 118 85.289 10.841 12.019 1.00 0.00 C ATOM 0 H THR A 118 87.719 7.941 10.628 1.00 0.00 H new ATOM 0 HA THR A 118 84.978 8.857 10.205 1.00 0.00 H new ATOM 0 HB THR A 118 87.267 10.090 11.780 1.00 0.00 H new ATOM 0 HG1 THR A 118 86.207 9.018 13.592 1.00 0.00 H new ATOM 0 HG21 THR A 118 85.473 11.222 13.023 1.00 0.00 H new ATOM 0 HG22 THR A 118 85.441 11.640 11.294 1.00 0.00 H new ATOM 0 HG23 THR A 118 84.263 10.480 11.951 1.00 0.00 H new ATOM 1901 N THR A 119 85.403 10.913 8.803 1.00 0.00 N ATOM 1902 CA THR A 119 85.629 11.935 7.802 1.00 0.00 C ATOM 1903 C THR A 119 85.778 13.300 8.460 1.00 0.00 C ATOM 1904 O THR A 119 84.844 13.803 9.090 1.00 0.00 O ATOM 1905 CB THR A 119 84.473 11.973 6.787 1.00 0.00 C ATOM 1906 OG1 THR A 119 83.216 12.056 7.480 1.00 0.00 O ATOM 1907 CG2 THR A 119 84.484 10.737 5.901 1.00 0.00 C ATOM 0 H THR A 119 84.434 10.829 9.111 1.00 0.00 H new ATOM 0 HA THR A 119 86.551 11.690 7.274 1.00 0.00 H new ATOM 0 HB THR A 119 84.604 12.852 6.156 1.00 0.00 H new ATOM 0 HG1 THR A 119 83.326 12.590 8.294 1.00 0.00 H new ATOM 0 HG21 THR A 119 83.657 10.789 5.193 1.00 0.00 H new ATOM 0 HG22 THR A 119 85.426 10.689 5.355 1.00 0.00 H new ATOM 0 HG23 THR A 119 84.377 9.845 6.519 1.00 0.00 H new ATOM 1915 N GLN A 120 86.954 13.890 8.328 1.00 0.00 N ATOM 1916 CA GLN A 120 87.225 15.180 8.934 1.00 0.00 C ATOM 1917 C GLN A 120 87.980 16.070 7.954 1.00 0.00 C ATOM 1918 O GLN A 120 88.552 15.578 6.982 1.00 0.00 O ATOM 1919 CB GLN A 120 88.027 15.003 10.230 1.00 0.00 C ATOM 1920 CG GLN A 120 88.098 16.264 11.080 1.00 0.00 C ATOM 1921 CD GLN A 120 88.913 16.079 12.344 1.00 0.00 C ATOM 1922 OE1 GLN A 120 88.982 14.986 12.900 1.00 0.00 O ATOM 1923 NE2 GLN A 120 89.534 17.152 12.811 1.00 0.00 N ATOM 0 H GLN A 120 87.736 13.495 7.806 1.00 0.00 H new ATOM 0 HA GLN A 120 86.278 15.659 9.180 1.00 0.00 H new ATOM 0 HB2 GLN A 120 87.578 14.203 10.819 1.00 0.00 H new ATOM 0 HB3 GLN A 120 89.039 14.686 9.980 1.00 0.00 H new ATOM 0 HG2 GLN A 120 88.532 17.070 10.489 1.00 0.00 H new ATOM 0 HG3 GLN A 120 87.088 16.573 11.347 1.00 0.00 H new ATOM 0 HE21 GLN A 120 89.452 18.043 12.320 1.00 0.00 H new ATOM 0 HE22 GLN A 120 90.094 17.088 13.661 1.00 0.00 H new ATOM 1932 N GLN A 121 87.957 17.372 8.218 1.00 0.00 N ATOM 1933 CA GLN A 121 88.618 18.375 7.383 1.00 0.00 C ATOM 1934 C GLN A 121 90.038 17.957 6.992 1.00 0.00 C ATOM 1935 O GLN A 121 90.951 17.966 7.821 1.00 0.00 O ATOM 1936 CB GLN A 121 88.667 19.705 8.135 1.00 0.00 C ATOM 1937 CG GLN A 121 87.307 20.179 8.622 1.00 0.00 C ATOM 1938 CD GLN A 121 87.411 21.336 9.595 1.00 0.00 C ATOM 1939 OE1 GLN A 121 88.394 21.458 10.329 1.00 0.00 O ATOM 1940 NE2 GLN A 121 86.395 22.184 9.626 1.00 0.00 N ATOM 0 H GLN A 121 87.475 17.767 9.025 1.00 0.00 H new ATOM 0 HA GLN A 121 88.040 18.476 6.464 1.00 0.00 H new ATOM 0 HB2 GLN A 121 89.335 19.605 8.990 1.00 0.00 H new ATOM 0 HB3 GLN A 121 89.096 20.466 7.483 1.00 0.00 H new ATOM 0 HG2 GLN A 121 86.703 20.481 7.766 1.00 0.00 H new ATOM 0 HG3 GLN A 121 86.787 19.350 9.102 1.00 0.00 H new ATOM 0 HE21 GLN A 121 85.599 22.049 9.003 1.00 0.00 H new ATOM 0 HE22 GLN A 121 86.408 22.972 10.273 1.00 0.00 H new ATOM 1949 N GLY A 122 90.213 17.576 5.734 1.00 0.00 N ATOM 1950 CA GLY A 122 91.537 17.253 5.241 1.00 0.00 C ATOM 1951 C GLY A 122 91.654 15.836 4.715 1.00 0.00 C ATOM 1952 O GLY A 122 92.559 15.534 3.937 1.00 0.00 O ATOM 0 H GLY A 122 89.464 17.485 5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 122 91.801 17.951 4.446 1.00 0.00 H new ATOM 0 HA3 GLY A 122 92.260 17.396 6.044 1.00 0.00 H new ATOM 1956 N GLY A 123 90.752 14.961 5.139 1.00 0.00 N ATOM 1957 CA GLY A 123 90.805 13.583 4.692 1.00 0.00 C ATOM 1958 C GLY A 123 90.064 12.638 5.617 1.00 0.00 C ATOM 1959 O GLY A 123 88.920 12.900 5.995 1.00 0.00 O ATOM 0 H GLY A 123 89.989 15.178 5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 123 90.379 13.514 3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 123 91.846 13.269 4.617 1.00 0.00 H new ATOM 1963 N TRP A 124 90.709 11.537 5.982 1.00 0.00 N ATOM 1964 CA TRP A 124 90.079 10.530 6.826 1.00 0.00 C ATOM 1965 C TRP A 124 90.944 10.242 8.052 1.00 0.00 C ATOM 1966 O TRP A 124 92.169 10.172 7.953 1.00 0.00 O ATOM 1967 CB TRP A 124 89.841 9.244 6.024 1.00 0.00 C ATOM 1968 CG TRP A 124 89.035 9.466 4.778 1.00 0.00 C ATOM 1969 CD1 TRP A 124 87.677 9.586 4.689 1.00 0.00 C ATOM 1970 CD2 TRP A 124 89.536 9.598 3.440 1.00 0.00 C ATOM 1971 NE1 TRP A 124 87.305 9.785 3.381 1.00 0.00 N ATOM 1972 CE2 TRP A 124 88.427 9.795 2.596 1.00 0.00 C ATOM 1973 CE3 TRP A 124 90.814 9.571 2.874 1.00 0.00 C ATOM 1974 CZ2 TRP A 124 88.557 9.964 1.219 1.00 0.00 C ATOM 1975 CZ3 TRP A 124 90.942 9.736 1.508 1.00 0.00 C ATOM 1976 CH2 TRP A 124 89.820 9.932 0.694 1.00 0.00 C ATOM 0 H TRP A 124 91.667 11.319 5.707 1.00 0.00 H new ATOM 0 HA TRP A 124 89.117 10.913 7.168 1.00 0.00 H new ATOM 0 HB2 TRP A 124 90.803 8.808 5.754 1.00 0.00 H new ATOM 0 HB3 TRP A 124 89.329 8.519 6.656 1.00 0.00 H new ATOM 0 HD1 TRP A 124 86.995 9.532 5.525 1.00 0.00 H new ATOM 0 HE1 TRP A 124 86.348 9.906 3.049 1.00 0.00 H new ATOM 0 HE3 TRP A 124 91.686 9.424 3.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 87.693 10.115 0.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 91.925 9.713 1.061 1.00 0.00 H new ATOM 0 HH2 TRP A 124 89.954 10.061 -0.370 1.00 0.00 H new ATOM 1987 N GLU A 125 90.298 10.074 9.200 1.00 0.00 N ATOM 1988 CA GLU A 125 90.999 9.891 10.468 1.00 0.00 C ATOM 1989 C GLU A 125 90.467 8.649 11.183 1.00 0.00 C ATOM 1990 O GLU A 125 89.255 8.431 11.237 1.00 0.00 O ATOM 1991 CB GLU A 125 90.785 11.137 11.343 1.00 0.00 C ATOM 1992 CG GLU A 125 91.824 11.352 12.444 1.00 0.00 C ATOM 1993 CD GLU A 125 91.774 10.314 13.550 1.00 0.00 C ATOM 1994 OE1 GLU A 125 90.683 10.095 14.123 1.00 0.00 O ATOM 1995 OE2 GLU A 125 92.833 9.729 13.860 1.00 0.00 O ATOM 0 H GLU A 125 89.281 10.061 9.280 1.00 0.00 H new ATOM 0 HA GLU A 125 92.064 9.755 10.282 1.00 0.00 H new ATOM 0 HB2 GLU A 125 90.777 12.016 10.698 1.00 0.00 H new ATOM 0 HB3 GLU A 125 89.800 11.071 11.805 1.00 0.00 H new ATOM 0 HG2 GLU A 125 92.818 11.345 11.998 1.00 0.00 H new ATOM 0 HG3 GLU A 125 91.677 12.340 12.880 1.00 0.00 H new ATOM 2002 N LYS A 126 91.366 7.821 11.697 1.00 0.00 N ATOM 2003 CA LYS A 126 90.971 6.690 12.522 1.00 0.00 C ATOM 2004 C LYS A 126 91.892 6.562 13.731 1.00 0.00 C ATOM 2005 O LYS A 126 92.956 5.942 13.658 1.00 0.00 O ATOM 2006 CB LYS A 126 90.966 5.385 11.720 1.00 0.00 C ATOM 2007 CG LYS A 126 90.348 4.217 12.478 1.00 0.00 C ATOM 2008 CD LYS A 126 90.274 2.958 11.629 1.00 0.00 C ATOM 2009 CE LYS A 126 89.512 1.854 12.351 1.00 0.00 C ATOM 2010 NZ LYS A 126 89.409 0.618 11.532 1.00 0.00 N ATOM 0 H LYS A 126 92.372 7.912 11.557 1.00 0.00 H new ATOM 0 HA LYS A 126 89.954 6.875 12.869 1.00 0.00 H new ATOM 0 HB2 LYS A 126 90.416 5.539 10.792 1.00 0.00 H new ATOM 0 HB3 LYS A 126 91.990 5.131 11.446 1.00 0.00 H new ATOM 0 HG2 LYS A 126 90.936 4.015 13.374 1.00 0.00 H new ATOM 0 HG3 LYS A 126 89.346 4.490 12.809 1.00 0.00 H new ATOM 0 HD2 LYS A 126 89.784 3.183 10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 126 91.281 2.615 11.393 1.00 0.00 H new ATOM 0 HE2 LYS A 126 90.012 1.624 13.292 1.00 0.00 H new ATOM 0 HE3 LYS A 126 88.512 2.208 12.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 89.268 -0.202 12.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 88.602 0.699 10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 90.284 0.490 10.985 1.00 0.00 H new ATOM 2024 N CYS A 127 91.496 7.185 14.827 1.00 0.00 N ATOM 2025 CA CYS A 127 92.237 7.088 16.074 1.00 0.00 C ATOM 2026 C CYS A 127 91.910 5.782 16.789 1.00 0.00 C ATOM 2027 O CYS A 127 90.741 5.423 16.944 1.00 0.00 O ATOM 2028 CB CYS A 127 91.911 8.281 16.977 1.00 0.00 C ATOM 2029 SG CYS A 127 92.675 8.203 18.614 1.00 0.00 S ATOM 0 H CYS A 127 90.660 7.767 14.879 1.00 0.00 H new ATOM 0 HA CYS A 127 93.303 7.100 15.845 1.00 0.00 H new ATOM 0 HB2 CYS A 127 92.234 9.196 16.481 1.00 0.00 H new ATOM 0 HB3 CYS A 127 90.830 8.347 17.096 1.00 0.00 H new ATOM 0 HG CYS A 127 92.341 9.256 19.299 1.00 0.00 H new ATOM 2035 N GLY A 128 92.944 5.074 17.214 1.00 0.00 N ATOM 2036 CA GLY A 128 92.749 3.825 17.923 1.00 0.00 C ATOM 2037 C GLY A 128 93.144 3.933 19.382 1.00 0.00 C ATOM 2038 O GLY A 128 93.767 4.919 19.786 1.00 0.90 O ATOM 0 H GLY A 128 93.919 5.342 17.081 1.00 0.00 H new ATOM 0 HA2 GLY A 128 91.703 3.527 17.852 1.00 0.00 H new ATOM 0 HA3 GLY A 128 93.337 3.041 17.445 1.00 0.00 H new TER 2042 GLY A 128 HETATM 2043 N1A COA A 999 82.069 -0.536 -5.141 1.00 20.00 N HETATM 2044 C2A COA A 999 81.111 -0.430 -4.136 1.00 20.00 C HETATM 2045 N3A COA A 999 81.535 -0.341 -2.810 1.00 20.00 N HETATM 2046 C4A COA A 999 82.852 -0.361 -2.531 1.00 20.00 C HETATM 2047 C5A COA A 999 83.756 -0.460 -3.521 1.00 20.00 C HETATM 2048 C6A COA A 999 83.364 -0.547 -4.799 1.00 20.00 C HETATM 2049 N6A COA A 999 84.325 -0.649 -5.715 1.00 20.00 N HETATM 2050 N7A COA A 999 84.968 -0.458 -2.967 1.00 20.00 N HETATM 2051 C8A COA A 999 84.823 -0.358 -1.650 1.00 20.00 C HETATM 2052 N9A COA A 999 83.521 -0.298 -1.379 1.00 20.00 N HETATM 2053 C1B COA A 999 82.937 -0.206 -0.015 1.00 20.00 C HETATM 2054 C2B COA A 999 81.589 -0.933 0.107 1.00 20.00 C HETATM 2055 O2B COA A 999 80.689 -0.199 0.960 1.00 20.00 O HETATM 2056 C3B COA A 999 81.998 -2.220 0.740 1.00 20.00 C HETATM 2057 O3B COA A 999 81.066 -3.261 1.101 1.00 20.00 O HETATM 2058 P3B COA A 999 81.492 -4.467 2.087 1.00 20.00 P HETATM 2059 O7A COA A 999 80.318 -5.200 2.611 1.00 20.00 O HETATM 2060 O8A COA A 999 82.354 -3.800 3.271 1.00 20.00 O HETATM 2061 O9A COA A 999 82.482 -5.431 1.271 1.00 20.00 O HETATM 2062 C4B COA A 999 83.471 -2.257 1.012 1.00 20.00 C HETATM 2063 O4B COA A 999 83.849 -0.855 0.945 1.00 20.00 O HETATM 2064 C5B COA A 999 84.198 -3.097 -0.045 1.00 20.00 C HETATM 2065 O5B COA A 999 85.400 -2.928 0.711 1.00 20.00 O HETATM 2066 P1A COA A 999 86.786 -3.536 0.160 1.00 20.00 P HETATM 2067 O1A COA A 999 87.662 -3.915 1.289 1.00 20.00 O HETATM 2068 O2A COA A 999 86.516 -4.575 -0.870 1.00 20.00 O HETATM 2069 O3A COA A 999 87.447 -2.286 -0.599 1.00 20.00 O HETATM 2070 P2A COA A 999 88.423 -2.536 -1.848 1.00 20.00 P HETATM 2071 O4A COA A 999 87.638 -3.060 -2.992 1.00 20.00 O HETATM 2072 O5A COA A 999 89.598 -3.322 -1.414 1.00 20.00 O HETATM 2073 O6A COA A 999 88.899 -1.053 -2.248 1.00 20.00 O HETATM 2074 CBP COA A 999 90.478 0.759 -2.631 1.00 20.00 C HETATM 2075 CCP COA A 999 90.293 -0.732 -2.303 1.00 20.00 C HETATM 2076 CDP COA A 999 89.295 1.564 -2.070 1.00 20.00 C HETATM 2077 CEP COA A 999 91.782 1.255 -1.984 1.00 20.00 C HETATM 2078 CAP COA A 999 90.546 0.933 -4.164 1.00 20.00 C HETATM 2079 OAP COA A 999 89.331 0.940 -4.915 1.00 20.00 O HETATM 2080 C9P COA A 999 91.890 1.278 -4.820 1.00 20.00 C HETATM 2081 O9P COA A 999 92.763 0.418 -4.956 1.00 20.00 O HETATM 2082 N8P COA A 999 92.032 2.553 -5.216 1.00 20.00 N HETATM 2083 C7P COA A 999 93.126 3.396 -4.718 1.00 20.00 C HETATM 2084 C6P COA A 999 92.773 4.874 -4.893 1.00 20.00 C HETATM 2085 C5P COA A 999 93.714 5.730 -4.044 1.00 20.00 C HETATM 2086 O5P COA A 999 93.437 6.010 -2.879 1.00 20.00 O HETATM 2087 N4P COA A 999 94.838 6.127 -4.668 1.00 20.00 N HETATM 2088 C3P COA A 999 94.936 7.429 -5.390 1.00 20.00 C HETATM 2089 C2P COA A 999 95.653 8.079 -4.180 1.00 20.00 C HETATM 2090 S1P COA A 999 95.739 9.678 -5.065 1.00 20.00 S HETATM 0 HO2A COA A 999 79.836 -0.677 1.024 1.00 20.00 H new HETATM 0 H62A COA A 999 85.304 -0.655 -5.429 1.00 20.00 H new HETATM 0 H61A COA A 999 84.082 -0.721 -6.703 1.00 20.00 H new HETATM 0 H52A COA A 999 83.850 -4.125 -0.142 1.00 20.00 H new HETATM 0 H51A COA A 999 84.215 -2.670 -1.048 1.00 20.00 H new HETATM 0 H143 COA A 999 91.726 1.120 -0.904 1.00 20.00 H new HETATM 0 H142 COA A 999 92.623 0.685 -2.378 1.00 20.00 H new HETATM 0 H141 COA A 999 91.922 2.312 -2.211 1.00 20.00 H new HETATM 0 H133 COA A 999 88.367 1.208 -2.519 1.00 20.00 H new HETATM 0 H132 COA A 999 89.248 1.436 -0.989 1.00 20.00 H new HETATM 0 H131 COA A 999 89.430 2.620 -2.304 1.00 20.00 H new HETATM 0 H122 COA A 999 90.766 -0.964 -1.349 1.00 20.00 H new HETATM 0 H121 COA A 999 90.785 -1.343 -3.060 1.00 20.00 H new HETATM 0 HS1 COA A 999 95.498 10.648 -4.233 1.00 20.00 H new HETATM 0 HO1 COA A 999 89.535 1.060 -5.866 1.00 20.00 H new HETATM 0 HN8 COA A 999 91.364 2.946 -5.879 1.00 20.00 H new HETATM 0 HN4 COA A 999 95.654 5.515 -4.647 1.00 20.00 H new HETATM 0 H8A COA A 999 85.630 -0.330 -0.918 1.00 20.00 H new HETATM 0 H72 COA A 999 93.311 3.181 -3.666 1.00 20.00 H new HETATM 0 H71 COA A 999 94.046 3.168 -5.257 1.00 20.00 H new HETATM 0 H62 COA A 999 92.856 5.156 -5.943 1.00 20.00 H new HETATM 0 H61 COA A 999 91.739 5.049 -4.596 1.00 20.00 H new HETATM 0 H4B COA A 999 83.730 -2.716 1.966 1.00 20.00 H new HETATM 0 H32 COA A 999 95.527 7.397 -6.305 1.00 20.00 H new HETATM 0 H31 COA A 999 93.977 7.880 -5.646 1.00 20.00 H new HETATM 0 H2B COA A 999 81.058 -1.054 -0.837 1.00 20.00 H new HETATM 0 H2A COA A 999 80.049 -0.417 -4.381 1.00 20.00 H new HETATM 0 H22 COA A 999 95.069 8.098 -3.260 1.00 20.00 H new HETATM 0 H21 COA A 999 96.620 7.641 -3.934 1.00 20.00 H new HETATM 0 H1B COA A 999 82.791 0.855 0.189 1.00 20.00 H new HETATM 0 H10 COA A 999 90.712 -0.088 -4.508 1.00 20.00 H new