USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 893 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 HIS : no HE2:sc= -1.34! C(o=-2.2!,f=-3.9!) USER MOD Set 1.2: A 45 TYR OH : rot 76:sc= 0.208 USER MOD Set 1.3: A 103 CYS SG : rot -160:sc= -1.03 USER MOD Set 2.1: A 99 GLN : amide:sc= 0 X(o=0.45,f=0.35) USER MOD Set 2.2: A 100 CYS SG : rot 25:sc= 0.455 USER MOD Set 3.1: A 10 SER OG : rot -93:sc= 2.02 USER MOD Set 3.2: A 71 TYR OH : rot -140:sc= 1.06 USER MOD Set 3.3: A 85 THR OG1 : rot -49:sc= 0.85 USER MOD Set 3.4: A 105 ASN : amide:sc= 1.84 K(o=5.8,f=-1.7) USER MOD Set 4.1: A 59 ASN : amide:sc= -0.91 K(o=0.21,f=-12!) USER MOD Set 4.2: A 63 LYS NZ :NH3+ 156:sc= 1.12 (180deg=-0.332) USER MOD Set 5.1: A 16 MET CE :methyl 166:sc= -4.74! (180deg=-5.59!) USER MOD Set 5.2: A 57 HIS : no HD1:sc=-0.00576 K(o=-4.7,f=-5.4) USER MOD Single : A 1 GLY N :NH3+ -159:sc= 0.907 (180deg=0.242!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= 0.484 (180deg=0.462) USER MOD Single : A 7 THR OG1 : rot -108:sc= 0.664 USER MOD Single : A 13 SER OG : rot 63:sc= 0.283 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 150:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -31:sc= -1.83! USER MOD Single : A 26 THR OG1 : rot 86:sc= 1.27 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -4.21! C(o=-4.2!,f=-8.4!) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0303 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -8.05 K(o=-8.1,f=-7.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 53 MET CE :methyl -163:sc= -0.133 (180deg=-0.618) USER MOD Single : A 54 THR OG1 : rot 65:sc= 1.23 USER MOD Single : A 55 LYS NZ :NH3+ 160:sc= -0.0568 (180deg=-0.337) USER MOD Single : A 56 SER OG : rot 60:sc= 0.133 USER MOD Single : A 58 GLN : amide:sc= -2.31! K(o=-2.3!,f=-0.39) USER MOD Single : A 61 CYS SG : rot -27:sc= 0.109 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -172:sc= 0.17 USER MOD Single : A 70 GLN : amide:sc= -0.797 K(o=-0.8,f=-0.064) USER MOD Single : A 73 MET CE :methyl -173:sc= -0.0952 (180deg=-0.164) USER MOD Single : A 76 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0617) USER MOD Single : A 77 HIS : no HD1:sc= -0.542 X(o=-0.54,f=-0.16) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.327 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -2.38! C(o=-2.4!,f=-3.8!) USER MOD Single : A 95 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.061) USER MOD Single : A 97 GLN : amide:sc= -1.69! K(o=-1.7!,f=-0.11) USER MOD Single : A 102 MET CE :methyl 158:sc= -0.166 (180deg=-0.783) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= -2.2 K(o=-2.2,f=-0.0022) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.703 13.138 -16.724 1.00 8.25 N ATOM 2 CA GLY A 1 -5.398 12.349 -17.943 1.00 7.69 C ATOM 3 C GLY A 1 -4.060 11.638 -17.857 1.00 7.07 C ATOM 4 O GLY A 1 -3.296 11.619 -18.822 1.00 7.20 O ATOM 0 H1 GLY A 1 -6.728 13.305 -16.666 1.00 8.25 H new ATOM 0 H2 GLY A 1 -5.389 12.613 -15.883 1.00 8.25 H new ATOM 0 H3 GLY A 1 -5.206 14.050 -16.768 1.00 8.25 H new ATOM 0 HA2 GLY A 1 -6.187 11.614 -18.102 1.00 7.69 H new ATOM 0 HA3 GLY A 1 -5.399 13.010 -18.809 1.00 7.69 H new ATOM 10 N ALA A 2 -3.780 11.042 -16.706 1.00 6.74 N ATOM 11 CA ALA A 2 -2.549 10.294 -16.501 1.00 6.50 C ATOM 12 C ALA A 2 -2.840 9.031 -15.699 1.00 5.63 C ATOM 13 O ALA A 2 -2.752 7.915 -16.217 1.00 5.72 O ATOM 14 CB ALA A 2 -1.509 11.153 -15.796 1.00 7.23 C ATOM 0 H ALA A 2 -4.396 11.063 -15.893 1.00 6.74 H new ATOM 0 HA ALA A 2 -2.144 10.008 -17.472 1.00 6.50 H new ATOM 0 HB1 ALA A 2 -0.596 10.575 -15.652 1.00 7.23 H new ATOM 0 HB2 ALA A 2 -1.290 12.031 -16.403 1.00 7.23 H new ATOM 0 HB3 ALA A 2 -1.895 11.469 -14.827 1.00 7.23 H new ATOM 20 N MET A 3 -3.196 9.217 -14.437 1.00 5.15 N ATOM 21 CA MET A 3 -3.641 8.119 -13.594 1.00 4.60 C ATOM 22 C MET A 3 -5.114 8.327 -13.274 1.00 3.69 C ATOM 23 O MET A 3 -5.972 7.617 -13.797 1.00 3.99 O ATOM 24 CB MET A 3 -2.810 8.046 -12.309 1.00 5.41 C ATOM 25 CG MET A 3 -1.333 7.815 -12.549 1.00 6.28 C ATOM 26 SD MET A 3 -0.375 7.763 -11.020 1.00 7.11 S ATOM 27 CE MET A 3 1.278 7.520 -11.666 1.00 7.93 C ATOM 0 H MET A 3 -3.185 10.125 -13.972 1.00 5.15 H new ATOM 0 HA MET A 3 -3.507 7.174 -14.120 1.00 4.60 H new ATOM 0 HB2 MET A 3 -2.937 8.974 -11.752 1.00 5.41 H new ATOM 0 HB3 MET A 3 -3.197 7.242 -11.682 1.00 5.41 H new ATOM 0 HG2 MET A 3 -1.200 6.877 -13.088 1.00 6.28 H new ATOM 0 HG3 MET A 3 -0.945 8.608 -13.188 1.00 6.28 H new ATOM 0 HE1 MET A 3 1.987 7.467 -10.840 1.00 7.93 H new ATOM 0 HE2 MET A 3 1.313 6.591 -12.235 1.00 7.93 H new ATOM 0 HE3 MET A 3 1.541 8.354 -12.317 1.00 7.93 H new ATOM 37 N ASP A 4 -5.381 9.329 -12.428 1.00 3.10 N ATOM 38 CA ASP A 4 -6.736 9.846 -12.177 1.00 2.74 C ATOM 39 C ASP A 4 -7.653 8.847 -11.471 1.00 2.19 C ATOM 40 O ASP A 4 -8.049 9.069 -10.329 1.00 2.83 O ATOM 41 CB ASP A 4 -7.391 10.307 -13.484 1.00 3.07 C ATOM 42 CG ASP A 4 -6.669 11.477 -14.120 1.00 3.89 C ATOM 43 OD1 ASP A 4 -5.706 11.250 -14.882 1.00 4.39 O ATOM 44 OD2 ASP A 4 -7.048 12.637 -13.850 1.00 4.39 O ATOM 0 H ASP A 4 -4.658 9.809 -11.893 1.00 3.10 H new ATOM 0 HA ASP A 4 -6.608 10.692 -11.502 1.00 2.74 H new ATOM 0 HB2 ASP A 4 -7.414 9.474 -14.187 1.00 3.07 H new ATOM 0 HB3 ASP A 4 -8.426 10.587 -13.288 1.00 3.07 H new ATOM 49 N SER A 5 -7.987 7.762 -12.161 1.00 1.51 N ATOM 50 CA SER A 5 -9.000 6.814 -11.707 1.00 1.13 C ATOM 51 C SER A 5 -8.607 6.099 -10.413 1.00 0.89 C ATOM 52 O SER A 5 -8.053 4.997 -10.445 1.00 1.67 O ATOM 53 CB SER A 5 -9.271 5.787 -12.808 1.00 1.29 C ATOM 54 OG SER A 5 -9.689 6.427 -14.003 1.00 1.99 O ATOM 0 H SER A 5 -7.562 7.514 -13.054 1.00 1.51 H new ATOM 0 HA SER A 5 -9.903 7.385 -11.491 1.00 1.13 H new ATOM 0 HB2 SER A 5 -8.369 5.205 -12.998 1.00 1.29 H new ATOM 0 HB3 SER A 5 -10.038 5.087 -12.478 1.00 1.29 H new ATOM 0 HG SER A 5 -9.855 5.753 -14.694 1.00 1.99 H new ATOM 60 N LYS A 6 -8.867 6.760 -9.284 1.00 0.74 N ATOM 61 CA LYS A 6 -8.729 6.155 -7.959 1.00 0.49 C ATOM 62 C LYS A 6 -7.331 5.563 -7.756 1.00 0.39 C ATOM 63 O LYS A 6 -7.166 4.525 -7.116 1.00 0.48 O ATOM 64 CB LYS A 6 -9.815 5.090 -7.770 1.00 0.68 C ATOM 65 CG LYS A 6 -11.229 5.650 -7.890 1.00 0.95 C ATOM 66 CD LYS A 6 -12.291 4.562 -7.826 1.00 1.62 C ATOM 67 CE LYS A 6 -12.334 3.886 -6.464 1.00 2.01 C ATOM 68 NZ LYS A 6 -13.397 2.844 -6.391 1.00 2.61 N ATOM 0 H LYS A 6 -9.179 7.731 -9.263 1.00 0.74 H new ATOM 0 HA LYS A 6 -8.857 6.931 -7.204 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -9.678 4.304 -8.512 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -9.696 4.628 -6.790 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -11.401 6.369 -7.089 1.00 0.95 H new ATOM 0 HG3 LYS A 6 -11.324 6.192 -8.831 1.00 0.95 H new ATOM 0 HD2 LYS A 6 -13.267 4.995 -8.047 1.00 1.62 H new ATOM 0 HD3 LYS A 6 -12.092 3.816 -8.595 1.00 1.62 H new ATOM 0 HE2 LYS A 6 -11.366 3.431 -6.254 1.00 2.01 H new ATOM 0 HE3 LYS A 6 -12.508 4.636 -5.692 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 -13.295 2.305 -5.507 1.00 2.61 H new ATOM 0 HZ2 LYS A 6 -14.332 3.299 -6.413 1.00 2.61 H new ATOM 0 HZ3 LYS A 6 -13.307 2.199 -7.202 1.00 2.61 H new ATOM 82 N THR A 7 -6.330 6.251 -8.283 1.00 0.30 N ATOM 83 CA THR A 7 -4.954 5.796 -8.199 1.00 0.27 C ATOM 84 C THR A 7 -4.141 6.783 -7.375 1.00 0.21 C ATOM 85 O THR A 7 -4.130 7.975 -7.678 1.00 0.22 O ATOM 86 CB THR A 7 -4.341 5.683 -9.613 1.00 0.33 C ATOM 87 OG1 THR A 7 -5.159 4.834 -10.431 1.00 0.43 O ATOM 88 CG2 THR A 7 -2.921 5.137 -9.565 1.00 0.34 C ATOM 0 H THR A 7 -6.449 7.135 -8.778 1.00 0.30 H new ATOM 0 HA THR A 7 -4.936 4.815 -7.723 1.00 0.27 H new ATOM 0 HB THR A 7 -4.302 6.684 -10.043 1.00 0.33 H new ATOM 0 HG1 THR A 7 -4.702 3.979 -10.574 1.00 0.43 H new ATOM 0 HG21 THR A 7 -2.522 5.071 -10.577 1.00 0.34 H new ATOM 0 HG22 THR A 7 -2.295 5.803 -8.971 1.00 0.34 H new ATOM 0 HG23 THR A 7 -2.928 4.145 -9.113 1.00 0.34 H new ATOM 96 N PHE A 8 -3.471 6.309 -6.330 1.00 0.19 N ATOM 97 CA PHE A 8 -2.702 7.216 -5.493 1.00 0.18 C ATOM 98 C PHE A 8 -1.303 6.679 -5.243 1.00 0.19 C ATOM 99 O PHE A 8 -1.109 5.479 -5.019 1.00 0.22 O ATOM 100 CB PHE A 8 -3.447 7.499 -4.178 1.00 0.21 C ATOM 101 CG PHE A 8 -3.152 6.565 -3.034 1.00 0.23 C ATOM 102 CD1 PHE A 8 -3.734 5.311 -2.965 1.00 0.30 C ATOM 103 CD2 PHE A 8 -2.307 6.963 -2.011 1.00 0.27 C ATOM 104 CE1 PHE A 8 -3.475 4.470 -1.900 1.00 0.38 C ATOM 105 CE2 PHE A 8 -2.047 6.134 -0.943 1.00 0.36 C ATOM 106 CZ PHE A 8 -2.632 4.883 -0.885 1.00 0.40 C ATOM 0 H PHE A 8 -3.445 5.329 -6.049 1.00 0.19 H new ATOM 0 HA PHE A 8 -2.592 8.162 -6.023 1.00 0.18 H new ATOM 0 HB2 PHE A 8 -3.210 8.515 -3.861 1.00 0.21 H new ATOM 0 HB3 PHE A 8 -4.518 7.469 -4.378 1.00 0.21 H new ATOM 0 HD1 PHE A 8 -4.398 4.986 -3.753 1.00 0.30 H new ATOM 0 HD2 PHE A 8 -1.845 7.938 -2.052 1.00 0.27 H new ATOM 0 HE1 PHE A 8 -3.930 3.491 -1.860 1.00 0.38 H new ATOM 0 HE2 PHE A 8 -1.388 6.460 -0.152 1.00 0.36 H new ATOM 0 HZ PHE A 8 -2.431 4.230 -0.049 1.00 0.40 H new ATOM 116 N LEU A 9 -0.328 7.570 -5.330 1.00 0.18 N ATOM 117 CA LEU A 9 1.053 7.220 -5.066 1.00 0.20 C ATOM 118 C LEU A 9 1.217 6.924 -3.582 1.00 0.20 C ATOM 119 O LEU A 9 0.775 7.683 -2.726 1.00 0.33 O ATOM 120 CB LEU A 9 1.979 8.361 -5.519 1.00 0.22 C ATOM 121 CG LEU A 9 3.458 7.994 -5.735 1.00 0.27 C ATOM 122 CD1 LEU A 9 4.188 7.797 -4.414 1.00 0.30 C ATOM 123 CD2 LEU A 9 3.575 6.747 -6.601 1.00 0.37 C ATOM 0 H LEU A 9 -0.472 8.547 -5.584 1.00 0.18 H new ATOM 0 HA LEU A 9 1.328 6.328 -5.629 1.00 0.20 H new ATOM 0 HB2 LEU A 9 1.588 8.769 -6.451 1.00 0.22 H new ATOM 0 HB3 LEU A 9 1.929 9.157 -4.776 1.00 0.22 H new ATOM 0 HG LEU A 9 3.933 8.828 -6.251 1.00 0.27 H new ATOM 0 HD11 LEU A 9 5.229 7.539 -4.609 1.00 0.30 H new ATOM 0 HD12 LEU A 9 4.145 8.719 -3.833 1.00 0.30 H new ATOM 0 HD13 LEU A 9 3.714 6.992 -3.853 1.00 0.30 H new ATOM 0 HD21 LEU A 9 4.627 6.501 -6.744 1.00 0.37 H new ATOM 0 HD22 LEU A 9 3.071 5.914 -6.110 1.00 0.37 H new ATOM 0 HD23 LEU A 9 3.111 6.932 -7.570 1.00 0.37 H new ATOM 135 N SER A 10 1.848 5.816 -3.289 1.00 0.32 N ATOM 136 CA SER A 10 1.998 5.366 -1.927 1.00 0.32 C ATOM 137 C SER A 10 3.444 4.994 -1.707 1.00 0.28 C ATOM 138 O SER A 10 4.144 4.659 -2.659 1.00 0.29 O ATOM 139 CB SER A 10 1.101 4.166 -1.692 1.00 0.41 C ATOM 140 OG SER A 10 -0.129 4.338 -2.367 1.00 1.10 O ATOM 0 H SER A 10 2.271 5.201 -3.984 1.00 0.32 H new ATOM 0 HA SER A 10 1.713 6.153 -1.229 1.00 0.32 H new ATOM 0 HB2 SER A 10 1.594 3.260 -2.044 1.00 0.41 H new ATOM 0 HB3 SER A 10 0.924 4.039 -0.624 1.00 0.41 H new ATOM 0 HG SER A 10 -0.784 4.738 -1.757 1.00 1.10 H new ATOM 146 N ARG A 11 3.910 5.060 -0.482 1.00 0.28 N ATOM 147 CA ARG A 11 5.300 4.780 -0.242 1.00 0.30 C ATOM 148 C ARG A 11 5.577 4.314 1.183 1.00 0.21 C ATOM 149 O ARG A 11 4.975 4.775 2.151 1.00 0.21 O ATOM 150 CB ARG A 11 6.137 5.994 -0.638 1.00 0.51 C ATOM 151 CG ARG A 11 7.388 6.186 0.181 1.00 0.99 C ATOM 152 CD ARG A 11 8.262 7.262 -0.422 1.00 1.00 C ATOM 153 NE ARG A 11 8.996 8.014 0.592 1.00 1.28 N ATOM 154 CZ ARG A 11 9.385 9.278 0.432 1.00 1.70 C ATOM 155 NH1 ARG A 11 9.194 9.888 -0.732 1.00 1.99 N ATOM 156 NH2 ARG A 11 9.982 9.921 1.423 1.00 2.46 N ATOM 0 H ARG A 11 3.361 5.299 0.343 1.00 0.28 H new ATOM 0 HA ARG A 11 5.592 3.937 -0.868 1.00 0.30 H new ATOM 0 HB2 ARG A 11 6.416 5.900 -1.687 1.00 0.51 H new ATOM 0 HB3 ARG A 11 5.520 6.889 -0.551 1.00 0.51 H new ATOM 0 HG2 ARG A 11 7.122 6.457 1.203 1.00 0.99 H new ATOM 0 HG3 ARG A 11 7.941 5.248 0.234 1.00 0.99 H new ATOM 0 HD2 ARG A 11 8.969 6.806 -1.115 1.00 1.00 H new ATOM 0 HD3 ARG A 11 7.643 7.947 -1.002 1.00 1.00 H new ATOM 0 HE ARG A 11 9.223 7.546 1.470 1.00 1.28 H new ATOM 0 HH11 ARG A 11 8.750 9.389 -1.503 1.00 1.99 H new ATOM 0 HH12 ARG A 11 9.491 10.856 -0.855 1.00 1.99 H new ATOM 0 HH21 ARG A 11 10.145 9.449 2.312 1.00 2.46 H new ATOM 0 HH22 ARG A 11 10.279 10.889 1.297 1.00 2.46 H new ATOM 170 N HIS A 12 6.491 3.366 1.271 1.00 0.25 N ATOM 171 CA HIS A 12 6.904 2.762 2.526 1.00 0.32 C ATOM 172 C HIS A 12 8.409 2.960 2.684 1.00 0.32 C ATOM 173 O HIS A 12 9.049 3.519 1.801 1.00 0.36 O ATOM 174 CB HIS A 12 6.585 1.261 2.544 1.00 0.36 C ATOM 175 CG HIS A 12 5.149 0.900 2.286 1.00 0.41 C ATOM 176 ND1 HIS A 12 4.353 0.280 3.220 1.00 0.89 N ATOM 177 CD2 HIS A 12 4.389 1.009 1.169 1.00 0.41 C ATOM 178 CE1 HIS A 12 3.179 0.020 2.695 1.00 0.86 C ATOM 179 NE2 HIS A 12 3.166 0.452 1.451 1.00 0.51 N ATOM 0 H HIS A 12 6.977 2.987 0.458 1.00 0.25 H new ATOM 0 HA HIS A 12 6.363 3.236 3.345 1.00 0.32 H new ATOM 0 HB2 HIS A 12 7.205 0.767 1.796 1.00 0.36 H new ATOM 0 HB3 HIS A 12 6.874 0.858 3.515 1.00 0.36 H new ATOM 0 HD1 HIS A 12 4.632 0.056 4.175 1.00 0.89 H new ATOM 0 HD2 HIS A 12 4.690 1.452 0.231 1.00 0.41 H new ATOM 0 HE1 HIS A 12 2.358 -0.468 3.200 1.00 0.86 H new ATOM 188 N SER A 13 8.970 2.516 3.795 1.00 0.32 N ATOM 189 CA SER A 13 10.416 2.577 3.990 1.00 0.35 C ATOM 190 C SER A 13 10.876 1.362 4.780 1.00 0.43 C ATOM 191 O SER A 13 10.213 0.986 5.743 1.00 0.91 O ATOM 192 CB SER A 13 10.805 3.863 4.722 1.00 0.68 C ATOM 193 OG SER A 13 12.213 4.018 4.792 1.00 1.70 O ATOM 0 H SER A 13 8.453 2.110 4.575 1.00 0.32 H new ATOM 0 HA SER A 13 10.905 2.577 3.016 1.00 0.35 H new ATOM 0 HB2 SER A 13 10.369 4.720 4.209 1.00 0.68 H new ATOM 0 HB3 SER A 13 10.389 3.849 5.730 1.00 0.68 H new ATOM 0 HG SER A 13 12.578 4.108 3.887 1.00 1.70 H new ATOM 199 N MET A 14 11.998 0.762 4.343 1.00 0.27 N ATOM 200 CA MET A 14 12.589 -0.447 4.950 1.00 0.36 C ATOM 201 C MET A 14 11.544 -1.475 5.399 1.00 0.33 C ATOM 202 O MET A 14 11.199 -2.395 4.654 1.00 0.40 O ATOM 203 CB MET A 14 13.490 -0.063 6.130 1.00 0.56 C ATOM 204 CG MET A 14 14.682 0.793 5.731 1.00 1.35 C ATOM 205 SD MET A 14 15.767 1.166 7.125 1.00 1.76 S ATOM 206 CE MET A 14 16.993 2.211 6.338 1.00 2.75 C ATOM 0 H MET A 14 12.529 1.109 3.544 1.00 0.27 H new ATOM 0 HA MET A 14 13.181 -0.925 4.170 1.00 0.36 H new ATOM 0 HB2 MET A 14 12.897 0.476 6.869 1.00 0.56 H new ATOM 0 HB3 MET A 14 13.851 -0.972 6.612 1.00 0.56 H new ATOM 0 HG2 MET A 14 15.253 0.277 4.959 1.00 1.35 H new ATOM 0 HG3 MET A 14 14.325 1.725 5.294 1.00 1.35 H new ATOM 0 HE1 MET A 14 17.733 2.522 7.075 1.00 2.75 H new ATOM 0 HE2 MET A 14 17.486 1.656 5.540 1.00 2.75 H new ATOM 0 HE3 MET A 14 16.506 3.092 5.919 1.00 2.75 H new ATOM 216 N ASP A 15 11.042 -1.283 6.616 1.00 0.36 N ATOM 217 CA ASP A 15 10.069 -2.184 7.242 1.00 0.41 C ATOM 218 C ASP A 15 8.766 -2.246 6.448 1.00 0.34 C ATOM 219 O ASP A 15 7.944 -3.133 6.669 1.00 0.41 O ATOM 220 CB ASP A 15 9.758 -1.719 8.669 1.00 0.56 C ATOM 221 CG ASP A 15 10.996 -1.318 9.446 1.00 1.18 C ATOM 222 OD1 ASP A 15 11.777 -2.218 9.823 1.00 2.07 O ATOM 223 OD2 ASP A 15 11.199 -0.111 9.684 1.00 1.49 O ATOM 0 H ASP A 15 11.300 -0.490 7.204 1.00 0.36 H new ATOM 0 HA ASP A 15 10.514 -3.179 7.260 1.00 0.41 H new ATOM 0 HB2 ASP A 15 9.072 -0.873 8.628 1.00 0.56 H new ATOM 0 HB3 ASP A 15 9.245 -2.519 9.202 1.00 0.56 H new ATOM 228 N MET A 16 8.583 -1.285 5.540 1.00 0.29 N ATOM 229 CA MET A 16 7.403 -1.224 4.681 1.00 0.35 C ATOM 230 C MET A 16 6.136 -0.919 5.496 1.00 0.37 C ATOM 231 O MET A 16 5.065 -1.456 5.227 1.00 0.69 O ATOM 232 CB MET A 16 7.247 -2.538 3.882 1.00 0.49 C ATOM 233 CG MET A 16 6.100 -2.533 2.874 1.00 0.67 C ATOM 234 SD MET A 16 6.060 -4.001 1.828 1.00 0.73 S ATOM 235 CE MET A 16 7.496 -3.732 0.798 1.00 0.48 C ATOM 0 H MET A 16 9.249 -0.529 5.381 1.00 0.29 H new ATOM 0 HA MET A 16 7.541 -0.407 3.973 1.00 0.35 H new ATOM 0 HB2 MET A 16 8.178 -2.739 3.353 1.00 0.49 H new ATOM 0 HB3 MET A 16 7.095 -3.359 4.583 1.00 0.49 H new ATOM 0 HG2 MET A 16 5.155 -2.452 3.411 1.00 0.67 H new ATOM 0 HG3 MET A 16 6.185 -1.648 2.243 1.00 0.67 H new ATOM 0 HE1 MET A 16 7.748 -4.656 0.277 1.00 0.48 H new ATOM 0 HE2 MET A 16 7.279 -2.952 0.068 1.00 0.48 H new ATOM 0 HE3 MET A 16 8.337 -3.424 1.419 1.00 0.48 H new ATOM 245 N LYS A 17 6.232 -0.026 6.474 1.00 0.31 N ATOM 246 CA LYS A 17 5.041 0.340 7.235 1.00 0.31 C ATOM 247 C LYS A 17 4.175 1.364 6.475 1.00 0.27 C ATOM 248 O LYS A 17 3.047 1.055 6.113 1.00 0.29 O ATOM 249 CB LYS A 17 5.448 0.874 8.616 1.00 0.42 C ATOM 250 CG LYS A 17 6.429 2.034 8.566 1.00 0.59 C ATOM 251 CD LYS A 17 6.809 2.519 9.956 1.00 0.70 C ATOM 252 CE LYS A 17 7.589 1.468 10.728 1.00 0.98 C ATOM 253 NZ LYS A 17 8.117 2.008 12.008 1.00 1.40 N ATOM 0 H LYS A 17 7.092 0.446 6.754 1.00 0.31 H new ATOM 0 HA LYS A 17 4.432 -0.554 7.370 1.00 0.31 H new ATOM 0 HB2 LYS A 17 4.552 1.192 9.150 1.00 0.42 H new ATOM 0 HB3 LYS A 17 5.891 0.062 9.192 1.00 0.42 H new ATOM 0 HG2 LYS A 17 7.328 1.726 8.031 1.00 0.59 H new ATOM 0 HG3 LYS A 17 5.989 2.857 8.003 1.00 0.59 H new ATOM 0 HD2 LYS A 17 7.407 3.427 9.873 1.00 0.70 H new ATOM 0 HD3 LYS A 17 5.907 2.781 10.509 1.00 0.70 H new ATOM 0 HE2 LYS A 17 6.945 0.613 10.932 1.00 0.98 H new ATOM 0 HE3 LYS A 17 8.416 1.106 10.117 1.00 0.98 H new ATOM 0 HZ1 LYS A 17 8.644 1.263 12.508 1.00 1.40 H new ATOM 0 HZ2 LYS A 17 8.751 2.808 11.812 1.00 1.40 H new ATOM 0 HZ3 LYS A 17 7.326 2.331 12.601 1.00 1.40 H new ATOM 267 N PHE A 18 4.755 2.536 6.179 1.00 0.29 N ATOM 268 CA PHE A 18 4.114 3.632 5.419 1.00 0.30 C ATOM 269 C PHE A 18 4.720 4.956 5.860 1.00 0.38 C ATOM 270 O PHE A 18 4.498 5.408 6.979 1.00 0.68 O ATOM 271 CB PHE A 18 2.587 3.718 5.595 1.00 0.27 C ATOM 272 CG PHE A 18 1.818 3.414 4.332 1.00 0.30 C ATOM 273 CD1 PHE A 18 1.903 4.251 3.228 1.00 0.40 C ATOM 274 CD2 PHE A 18 1.001 2.291 4.249 1.00 0.32 C ATOM 275 CE1 PHE A 18 1.194 3.975 2.075 1.00 0.46 C ATOM 276 CE2 PHE A 18 0.293 2.015 3.095 1.00 0.38 C ATOM 277 CZ PHE A 18 0.408 2.852 1.998 1.00 0.44 C ATOM 0 H PHE A 18 5.708 2.759 6.467 1.00 0.29 H new ATOM 0 HA PHE A 18 4.298 3.419 4.366 1.00 0.30 H new ATOM 0 HB2 PHE A 18 2.279 3.022 6.375 1.00 0.27 H new ATOM 0 HB3 PHE A 18 2.324 4.718 5.939 1.00 0.27 H new ATOM 0 HD1 PHE A 18 2.531 5.129 3.271 1.00 0.40 H new ATOM 0 HD2 PHE A 18 0.919 1.627 5.097 1.00 0.32 H new ATOM 0 HE1 PHE A 18 1.258 4.645 1.231 1.00 0.46 H new ATOM 0 HE2 PHE A 18 -0.349 1.148 3.049 1.00 0.38 H new ATOM 0 HZ PHE A 18 -0.119 2.622 1.084 1.00 0.44 H new ATOM 287 N THR A 19 5.503 5.545 4.985 1.00 0.21 N ATOM 288 CA THR A 19 6.183 6.794 5.280 1.00 0.23 C ATOM 289 C THR A 19 5.685 7.925 4.390 1.00 0.22 C ATOM 290 O THR A 19 5.990 9.091 4.628 1.00 0.26 O ATOM 291 CB THR A 19 7.710 6.647 5.140 1.00 0.30 C ATOM 292 OG1 THR A 19 8.032 5.978 3.912 1.00 0.63 O ATOM 293 CG2 THR A 19 8.290 5.871 6.314 1.00 0.43 C ATOM 0 H THR A 19 5.688 5.177 4.052 1.00 0.21 H new ATOM 0 HA THR A 19 5.952 7.045 6.315 1.00 0.23 H new ATOM 0 HB THR A 19 8.147 7.645 5.133 1.00 0.30 H new ATOM 0 HG1 THR A 19 8.903 6.290 3.588 1.00 0.63 H new ATOM 0 HG21 THR A 19 9.369 5.780 6.193 1.00 0.43 H new ATOM 0 HG22 THR A 19 8.072 6.399 7.242 1.00 0.43 H new ATOM 0 HG23 THR A 19 7.844 4.877 6.349 1.00 0.43 H new ATOM 301 N TYR A 20 4.915 7.581 3.364 1.00 0.21 N ATOM 302 CA TYR A 20 4.340 8.582 2.479 1.00 0.23 C ATOM 303 C TYR A 20 3.034 8.087 1.874 1.00 0.21 C ATOM 304 O TYR A 20 2.908 6.918 1.501 1.00 0.22 O ATOM 305 CB TYR A 20 5.333 8.954 1.378 1.00 0.31 C ATOM 306 CG TYR A 20 4.792 9.937 0.359 1.00 0.38 C ATOM 307 CD1 TYR A 20 4.915 11.305 0.555 1.00 0.48 C ATOM 308 CD2 TYR A 20 4.157 9.494 -0.796 1.00 0.46 C ATOM 309 CE1 TYR A 20 4.422 12.206 -0.369 1.00 0.60 C ATOM 310 CE2 TYR A 20 3.662 10.387 -1.727 1.00 0.57 C ATOM 311 CZ TYR A 20 3.796 11.745 -1.508 1.00 0.64 C ATOM 312 OH TYR A 20 3.314 12.648 -2.432 1.00 0.77 O ATOM 0 H TYR A 20 4.676 6.618 3.126 1.00 0.21 H new ATOM 0 HA TYR A 20 4.124 9.473 3.068 1.00 0.23 H new ATOM 0 HB2 TYR A 20 6.225 9.379 1.838 1.00 0.31 H new ATOM 0 HB3 TYR A 20 5.642 8.046 0.861 1.00 0.31 H new ATOM 0 HD1 TYR A 20 5.404 11.672 1.445 1.00 0.48 H new ATOM 0 HD2 TYR A 20 4.049 8.433 -0.968 1.00 0.46 H new ATOM 0 HE1 TYR A 20 4.526 13.268 -0.200 1.00 0.60 H new ATOM 0 HE2 TYR A 20 3.174 10.026 -2.620 1.00 0.57 H new ATOM 0 HH TYR A 20 2.902 12.164 -3.178 1.00 0.77 H new ATOM 322 N CYS A 21 2.063 8.981 1.804 1.00 0.19 N ATOM 323 CA CYS A 21 0.772 8.687 1.211 1.00 0.19 C ATOM 324 C CYS A 21 0.308 9.860 0.363 1.00 0.18 C ATOM 325 O CYS A 21 0.437 11.015 0.769 1.00 0.21 O ATOM 326 CB CYS A 21 -0.251 8.419 2.309 1.00 0.20 C ATOM 327 SG CYS A 21 0.118 6.976 3.323 1.00 0.34 S ATOM 0 H CYS A 21 2.149 9.934 2.158 1.00 0.19 H new ATOM 0 HA CYS A 21 0.868 7.804 0.579 1.00 0.19 H new ATOM 0 HB2 CYS A 21 -0.314 9.296 2.953 1.00 0.20 H new ATOM 0 HB3 CYS A 21 -1.232 8.287 1.852 1.00 0.20 H new ATOM 0 HG CYS A 21 0.738 6.088 2.604 1.00 0.34 H new ATOM 333 N ASP A 22 -0.197 9.563 -0.822 1.00 0.17 N ATOM 334 CA ASP A 22 -0.774 10.590 -1.692 1.00 0.18 C ATOM 335 C ASP A 22 -2.056 11.145 -1.078 1.00 0.18 C ATOM 336 O ASP A 22 -2.716 10.473 -0.286 1.00 0.20 O ATOM 337 CB ASP A 22 -1.064 10.007 -3.077 1.00 0.20 C ATOM 338 CG ASP A 22 -1.400 11.062 -4.115 1.00 0.27 C ATOM 339 OD1 ASP A 22 -2.523 11.602 -4.069 1.00 0.55 O ATOM 340 OD2 ASP A 22 -0.549 11.350 -4.983 1.00 0.67 O ATOM 0 H ASP A 22 -0.222 8.620 -1.210 1.00 0.17 H new ATOM 0 HA ASP A 22 -0.055 11.403 -1.795 1.00 0.18 H new ATOM 0 HB2 ASP A 22 -0.196 9.440 -3.414 1.00 0.20 H new ATOM 0 HB3 ASP A 22 -1.894 9.305 -3.001 1.00 0.20 H new ATOM 345 N ASP A 23 -2.410 12.365 -1.460 1.00 0.20 N ATOM 346 CA ASP A 23 -3.574 13.053 -0.906 1.00 0.23 C ATOM 347 C ASP A 23 -4.850 12.298 -1.239 1.00 0.21 C ATOM 348 O ASP A 23 -5.793 12.271 -0.453 1.00 0.23 O ATOM 349 CB ASP A 23 -3.655 14.477 -1.457 1.00 0.31 C ATOM 350 CG ASP A 23 -4.901 15.214 -1.009 1.00 1.33 C ATOM 351 OD1 ASP A 23 -4.943 15.665 0.156 1.00 1.97 O ATOM 352 OD2 ASP A 23 -5.850 15.324 -1.813 1.00 2.12 O ATOM 0 H ASP A 23 -1.902 12.906 -2.160 1.00 0.20 H new ATOM 0 HA ASP A 23 -3.465 13.094 0.178 1.00 0.23 H new ATOM 0 HB2 ASP A 23 -2.775 15.035 -1.138 1.00 0.31 H new ATOM 0 HB3 ASP A 23 -3.632 14.441 -2.546 1.00 0.31 H new ATOM 357 N ARG A 24 -4.840 11.653 -2.400 1.00 0.20 N ATOM 358 CA ARG A 24 -6.001 10.934 -2.918 1.00 0.21 C ATOM 359 C ARG A 24 -6.526 9.875 -1.946 1.00 0.19 C ATOM 360 O ARG A 24 -7.691 9.472 -2.018 1.00 0.21 O ATOM 361 CB ARG A 24 -5.660 10.288 -4.255 1.00 0.24 C ATOM 362 CG ARG A 24 -5.388 11.285 -5.375 1.00 0.66 C ATOM 363 CD ARG A 24 -6.567 12.218 -5.627 1.00 1.23 C ATOM 364 NE ARG A 24 -6.724 13.227 -4.574 1.00 1.64 N ATOM 365 CZ ARG A 24 -7.860 13.874 -4.322 1.00 2.49 C ATOM 366 NH1 ARG A 24 -8.932 13.647 -5.076 1.00 3.22 N ATOM 367 NH2 ARG A 24 -7.919 14.756 -3.330 1.00 2.98 N ATOM 0 H ARG A 24 -4.025 11.613 -3.011 1.00 0.20 H new ATOM 0 HA ARG A 24 -6.796 11.668 -3.050 1.00 0.21 H new ATOM 0 HB2 ARG A 24 -4.783 9.653 -4.127 1.00 0.24 H new ATOM 0 HB3 ARG A 24 -6.483 9.638 -4.553 1.00 0.24 H new ATOM 0 HG2 ARG A 24 -4.508 11.877 -5.124 1.00 0.66 H new ATOM 0 HG3 ARG A 24 -5.156 10.742 -6.291 1.00 0.66 H new ATOM 0 HD2 ARG A 24 -6.431 12.718 -6.586 1.00 1.23 H new ATOM 0 HD3 ARG A 24 -7.482 11.630 -5.700 1.00 1.23 H new ATOM 0 HE ARG A 24 -5.911 13.447 -3.998 1.00 1.64 H new ATOM 0 HH11 ARG A 24 -8.882 12.979 -5.845 1.00 3.22 H new ATOM 0 HH12 ARG A 24 -9.804 14.141 -4.885 1.00 3.22 H new ATOM 0 HH21 ARG A 24 -7.093 14.938 -2.760 1.00 2.98 H new ATOM 0 HH22 ARG A 24 -8.790 15.251 -3.139 1.00 2.98 H new ATOM 381 N ILE A 25 -5.671 9.426 -1.039 1.00 0.17 N ATOM 382 CA ILE A 25 -6.037 8.359 -0.118 1.00 0.18 C ATOM 383 C ILE A 25 -7.216 8.774 0.771 1.00 0.19 C ATOM 384 O ILE A 25 -7.988 7.926 1.214 1.00 0.21 O ATOM 385 CB ILE A 25 -4.841 7.915 0.757 1.00 0.19 C ATOM 386 CG1 ILE A 25 -5.169 6.596 1.456 1.00 0.24 C ATOM 387 CG2 ILE A 25 -4.482 8.987 1.780 1.00 0.19 C ATOM 388 CD1 ILE A 25 -3.980 5.961 2.135 1.00 0.76 C ATOM 0 H ILE A 25 -4.722 9.782 -0.921 1.00 0.17 H new ATOM 0 HA ILE A 25 -6.341 7.508 -0.727 1.00 0.18 H new ATOM 0 HB ILE A 25 -3.976 7.769 0.110 1.00 0.19 H new ATOM 0 HG12 ILE A 25 -5.949 6.771 2.197 1.00 0.24 H new ATOM 0 HG13 ILE A 25 -5.575 5.898 0.724 1.00 0.24 H new ATOM 0 HG21 ILE A 25 -3.638 8.648 2.381 1.00 0.19 H new ATOM 0 HG22 ILE A 25 -4.212 9.908 1.263 1.00 0.19 H new ATOM 0 HG23 ILE A 25 -5.338 9.172 2.428 1.00 0.19 H new ATOM 0 HD11 ILE A 25 -4.287 5.029 2.610 1.00 0.76 H new ATOM 0 HD12 ILE A 25 -3.206 5.754 1.396 1.00 0.76 H new ATOM 0 HD13 ILE A 25 -3.587 6.641 2.891 1.00 0.76 H new ATOM 400 N THR A 26 -7.355 10.074 1.021 1.00 0.20 N ATOM 401 CA THR A 26 -8.493 10.586 1.779 1.00 0.22 C ATOM 402 C THR A 26 -9.808 10.196 1.106 1.00 0.25 C ATOM 403 O THR A 26 -10.813 9.937 1.770 1.00 0.31 O ATOM 404 CB THR A 26 -8.433 12.120 1.919 1.00 0.25 C ATOM 405 OG1 THR A 26 -8.449 12.732 0.624 1.00 0.28 O ATOM 406 CG2 THR A 26 -7.180 12.546 2.663 1.00 0.26 C ATOM 0 H THR A 26 -6.697 10.789 0.711 1.00 0.20 H new ATOM 0 HA THR A 26 -8.445 10.141 2.773 1.00 0.22 H new ATOM 0 HB THR A 26 -9.305 12.443 2.487 1.00 0.25 H new ATOM 0 HG1 THR A 26 -9.376 12.850 0.329 1.00 0.28 H new ATOM 0 HG21 THR A 26 -7.160 13.632 2.749 1.00 0.26 H new ATOM 0 HG22 THR A 26 -7.180 12.103 3.659 1.00 0.26 H new ATOM 0 HG23 THR A 26 -6.300 12.209 2.116 1.00 0.26 H new ATOM 414 N GLU A 27 -9.777 10.134 -0.218 1.00 0.25 N ATOM 415 CA GLU A 27 -10.955 9.820 -1.008 1.00 0.30 C ATOM 416 C GLU A 27 -11.093 8.309 -1.185 1.00 0.33 C ATOM 417 O GLU A 27 -12.171 7.802 -1.484 1.00 0.43 O ATOM 418 CB GLU A 27 -10.853 10.482 -2.388 1.00 0.38 C ATOM 419 CG GLU A 27 -10.221 11.869 -2.373 1.00 0.55 C ATOM 420 CD GLU A 27 -11.042 12.900 -1.628 1.00 1.43 C ATOM 421 OE1 GLU A 27 -11.002 12.906 -0.380 1.00 2.28 O ATOM 422 OE2 GLU A 27 -11.741 13.700 -2.281 1.00 1.63 O ATOM 0 H GLU A 27 -8.936 10.300 -0.771 1.00 0.25 H new ATOM 0 HA GLU A 27 -11.831 10.200 -0.483 1.00 0.30 H new ATOM 0 HB2 GLU A 27 -10.270 9.837 -3.045 1.00 0.38 H new ATOM 0 HB3 GLU A 27 -11.852 10.555 -2.818 1.00 0.38 H new ATOM 0 HG2 GLU A 27 -9.233 11.804 -1.917 1.00 0.55 H new ATOM 0 HG3 GLU A 27 -10.076 12.205 -3.400 1.00 0.55 H new ATOM 429 N LEU A 28 -9.985 7.597 -1.000 1.00 0.27 N ATOM 430 CA LEU A 28 -9.940 6.165 -1.300 1.00 0.30 C ATOM 431 C LEU A 28 -10.118 5.288 -0.053 1.00 0.31 C ATOM 432 O LEU A 28 -10.948 4.382 -0.039 1.00 0.35 O ATOM 433 CB LEU A 28 -8.618 5.838 -1.996 1.00 0.30 C ATOM 434 CG LEU A 28 -8.337 6.673 -3.248 1.00 0.30 C ATOM 435 CD1 LEU A 28 -6.975 6.342 -3.827 1.00 0.31 C ATOM 436 CD2 LEU A 28 -9.421 6.455 -4.290 1.00 0.32 C ATOM 0 H LEU A 28 -9.110 7.983 -0.646 1.00 0.27 H new ATOM 0 HA LEU A 28 -10.779 5.939 -1.958 1.00 0.30 H new ATOM 0 HB2 LEU A 28 -7.803 5.983 -1.287 1.00 0.30 H new ATOM 0 HB3 LEU A 28 -8.617 4.783 -2.270 1.00 0.30 H new ATOM 0 HG LEU A 28 -8.338 7.724 -2.959 1.00 0.30 H new ATOM 0 HD11 LEU A 28 -6.800 6.949 -4.715 1.00 0.31 H new ATOM 0 HD12 LEU A 28 -6.204 6.553 -3.086 1.00 0.31 H new ATOM 0 HD13 LEU A 28 -6.941 5.286 -4.096 1.00 0.31 H new ATOM 0 HD21 LEU A 28 -9.204 7.057 -5.172 1.00 0.32 H new ATOM 0 HD22 LEU A 28 -9.452 5.401 -4.568 1.00 0.32 H new ATOM 0 HD23 LEU A 28 -10.386 6.750 -3.878 1.00 0.32 H new ATOM 448 N ILE A 29 -9.341 5.561 0.988 1.00 0.28 N ATOM 449 CA ILE A 29 -9.361 4.741 2.201 1.00 0.30 C ATOM 450 C ILE A 29 -10.003 5.523 3.350 1.00 0.29 C ATOM 451 O ILE A 29 -10.296 4.984 4.422 1.00 0.33 O ATOM 452 CB ILE A 29 -7.929 4.297 2.606 1.00 0.30 C ATOM 453 CG1 ILE A 29 -7.188 3.690 1.408 1.00 0.33 C ATOM 454 CG2 ILE A 29 -7.968 3.294 3.753 1.00 0.34 C ATOM 455 CD1 ILE A 29 -7.842 2.447 0.844 1.00 1.10 C ATOM 0 H ILE A 29 -8.688 6.344 1.020 1.00 0.28 H new ATOM 0 HA ILE A 29 -9.949 3.847 1.993 1.00 0.30 H new ATOM 0 HB ILE A 29 -7.392 5.185 2.940 1.00 0.30 H new ATOM 0 HG12 ILE A 29 -7.117 4.440 0.620 1.00 0.33 H new ATOM 0 HG13 ILE A 29 -6.169 3.447 1.709 1.00 0.33 H new ATOM 0 HG21 ILE A 29 -6.951 3.001 4.015 1.00 0.34 H new ATOM 0 HG22 ILE A 29 -8.449 3.750 4.619 1.00 0.34 H new ATOM 0 HG23 ILE A 29 -8.532 2.413 3.447 1.00 0.34 H new ATOM 0 HD11 ILE A 29 -7.258 2.079 0.000 1.00 1.10 H new ATOM 0 HD12 ILE A 29 -7.889 1.678 1.616 1.00 1.10 H new ATOM 0 HD13 ILE A 29 -8.851 2.687 0.509 1.00 1.10 H new ATOM 467 N GLY A 30 -10.243 6.802 3.105 1.00 0.27 N ATOM 468 CA GLY A 30 -10.809 7.671 4.117 1.00 0.29 C ATOM 469 C GLY A 30 -9.776 8.224 5.084 1.00 0.28 C ATOM 470 O GLY A 30 -10.004 9.260 5.708 1.00 0.32 O ATOM 0 H GLY A 30 -10.053 7.258 2.213 1.00 0.27 H new ATOM 0 HA2 GLY A 30 -11.319 8.501 3.628 1.00 0.29 H new ATOM 0 HA3 GLY A 30 -11.563 7.119 4.679 1.00 0.29 H new ATOM 474 N TYR A 31 -8.639 7.544 5.217 1.00 0.28 N ATOM 475 CA TYR A 31 -7.567 8.036 6.064 1.00 0.33 C ATOM 476 C TYR A 31 -6.846 9.199 5.405 1.00 0.34 C ATOM 477 O TYR A 31 -7.004 9.452 4.213 1.00 0.43 O ATOM 478 CB TYR A 31 -6.565 6.929 6.392 1.00 0.38 C ATOM 479 CG TYR A 31 -7.080 5.887 7.356 1.00 0.37 C ATOM 480 CD1 TYR A 31 -7.442 6.227 8.651 1.00 0.45 C ATOM 481 CD2 TYR A 31 -7.213 4.561 6.963 1.00 0.39 C ATOM 482 CE1 TYR A 31 -7.920 5.277 9.531 1.00 0.48 C ATOM 483 CE2 TYR A 31 -7.691 3.604 7.838 1.00 0.43 C ATOM 484 CZ TYR A 31 -8.011 3.971 9.141 1.00 0.46 C ATOM 485 OH TYR A 31 -8.512 3.013 9.992 1.00 0.53 O ATOM 0 H TYR A 31 -8.442 6.658 4.751 1.00 0.28 H new ATOM 0 HA TYR A 31 -8.021 8.380 6.993 1.00 0.33 H new ATOM 0 HB2 TYR A 31 -6.271 6.436 5.466 1.00 0.38 H new ATOM 0 HB3 TYR A 31 -5.666 7.382 6.811 1.00 0.38 H new ATOM 0 HD1 TYR A 31 -7.348 7.253 8.976 1.00 0.45 H new ATOM 0 HD2 TYR A 31 -6.939 4.274 5.959 1.00 0.39 H new ATOM 0 HE1 TYR A 31 -8.222 5.566 10.527 1.00 0.48 H new ATOM 0 HE2 TYR A 31 -7.815 2.581 7.513 1.00 0.43 H new ATOM 0 HH TYR A 31 -8.503 2.141 9.545 1.00 0.53 H new ATOM 495 N HIS A 32 -6.044 9.886 6.190 1.00 0.31 N ATOM 496 CA HIS A 32 -5.294 11.035 5.721 1.00 0.34 C ATOM 497 C HIS A 32 -3.867 10.576 5.443 1.00 0.23 C ATOM 498 O HIS A 32 -3.408 9.636 6.085 1.00 0.23 O ATOM 499 CB HIS A 32 -5.300 12.097 6.824 1.00 0.52 C ATOM 500 CG HIS A 32 -5.575 13.502 6.388 1.00 0.68 C ATOM 501 ND1 HIS A 32 -5.414 13.958 5.103 1.00 1.52 N ATOM 502 CD2 HIS A 32 -5.960 14.573 7.113 1.00 1.52 C ATOM 503 CE1 HIS A 32 -5.676 15.244 5.059 1.00 1.90 C ATOM 504 NE2 HIS A 32 -6.015 15.642 6.264 1.00 1.89 N ATOM 0 H HIS A 32 -5.892 9.664 7.174 1.00 0.31 H new ATOM 0 HA HIS A 32 -5.730 11.456 4.815 1.00 0.34 H new ATOM 0 HB2 HIS A 32 -6.048 11.816 7.566 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -4.332 12.077 7.324 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -6.183 14.583 8.170 1.00 1.52 H new ATOM 0 HE1 HIS A 32 -5.622 15.869 4.180 1.00 1.90 H new ATOM 0 HE2 HIS A 32 -6.276 16.593 6.523 1.00 1.89 H new ATOM 513 N PRO A 33 -3.142 11.188 4.491 1.00 0.24 N ATOM 514 CA PRO A 33 -1.735 10.852 4.261 1.00 0.27 C ATOM 515 C PRO A 33 -0.952 10.791 5.568 1.00 0.25 C ATOM 516 O PRO A 33 -0.273 9.810 5.849 1.00 0.29 O ATOM 517 CB PRO A 33 -1.247 12.000 3.382 1.00 0.34 C ATOM 518 CG PRO A 33 -2.454 12.408 2.617 1.00 0.33 C ATOM 519 CD PRO A 33 -3.616 12.218 3.554 1.00 0.29 C ATOM 0 HA PRO A 33 -1.602 9.871 3.805 1.00 0.27 H new ATOM 0 HB2 PRO A 33 -0.857 12.823 3.981 1.00 0.34 H new ATOM 0 HB3 PRO A 33 -0.443 11.680 2.718 1.00 0.34 H new ATOM 0 HG2 PRO A 33 -2.379 13.446 2.292 1.00 0.33 H new ATOM 0 HG3 PRO A 33 -2.572 11.801 1.719 1.00 0.33 H new ATOM 0 HD2 PRO A 33 -3.869 13.144 4.071 1.00 0.29 H new ATOM 0 HD3 PRO A 33 -4.511 11.895 3.022 1.00 0.29 H new ATOM 527 N GLU A 34 -1.159 11.798 6.404 1.00 0.25 N ATOM 528 CA GLU A 34 -0.430 11.937 7.663 1.00 0.30 C ATOM 529 C GLU A 34 -0.964 10.954 8.703 1.00 0.28 C ATOM 530 O GLU A 34 -0.341 10.715 9.739 1.00 0.32 O ATOM 531 CB GLU A 34 -0.548 13.363 8.175 1.00 0.37 C ATOM 532 CG GLU A 34 -1.967 13.770 8.464 1.00 1.01 C ATOM 533 CD GLU A 34 -2.520 14.662 7.377 1.00 1.68 C ATOM 534 OE1 GLU A 34 -2.707 14.169 6.246 1.00 2.13 O ATOM 535 OE2 GLU A 34 -2.758 15.860 7.644 1.00 2.14 O ATOM 0 H GLU A 34 -1.835 12.542 6.232 1.00 0.25 H new ATOM 0 HA GLU A 34 0.621 11.710 7.486 1.00 0.30 H new ATOM 0 HB2 GLU A 34 0.046 13.467 9.083 1.00 0.37 H new ATOM 0 HB3 GLU A 34 -0.124 14.044 7.437 1.00 0.37 H new ATOM 0 HG2 GLU A 34 -2.590 12.880 8.558 1.00 1.01 H new ATOM 0 HG3 GLU A 34 -2.009 14.291 9.420 1.00 1.01 H new ATOM 542 N GLU A 35 -2.119 10.383 8.400 1.00 0.26 N ATOM 543 CA GLU A 35 -2.749 9.387 9.259 1.00 0.29 C ATOM 544 C GLU A 35 -2.049 8.047 9.109 1.00 0.29 C ATOM 545 O GLU A 35 -1.905 7.302 10.078 1.00 0.43 O ATOM 546 CB GLU A 35 -4.236 9.234 8.909 1.00 0.34 C ATOM 547 CG GLU A 35 -5.139 10.262 9.571 1.00 0.61 C ATOM 548 CD GLU A 35 -5.058 10.233 11.080 1.00 1.23 C ATOM 549 OE1 GLU A 35 -5.370 9.182 11.675 1.00 1.81 O ATOM 550 OE2 GLU A 35 -4.697 11.265 11.674 1.00 1.71 O ATOM 0 H GLU A 35 -2.647 10.595 7.554 1.00 0.26 H new ATOM 0 HA GLU A 35 -2.663 9.724 10.292 1.00 0.29 H new ATOM 0 HB2 GLU A 35 -4.353 9.306 7.828 1.00 0.34 H new ATOM 0 HB3 GLU A 35 -4.566 8.236 9.199 1.00 0.34 H new ATOM 0 HG2 GLU A 35 -4.869 11.257 9.217 1.00 0.61 H new ATOM 0 HG3 GLU A 35 -6.170 10.084 9.264 1.00 0.61 H new ATOM 557 N LEU A 36 -1.619 7.742 7.890 1.00 0.27 N ATOM 558 CA LEU A 36 -0.916 6.492 7.633 1.00 0.29 C ATOM 559 C LEU A 36 0.584 6.647 7.882 1.00 0.32 C ATOM 560 O LEU A 36 1.303 5.663 8.042 1.00 0.46 O ATOM 561 CB LEU A 36 -1.157 5.981 6.211 1.00 0.29 C ATOM 562 CG LEU A 36 -2.588 5.539 5.910 1.00 0.28 C ATOM 563 CD1 LEU A 36 -3.417 6.712 5.433 1.00 0.32 C ATOM 564 CD2 LEU A 36 -2.602 4.417 4.884 1.00 0.29 C ATOM 0 H LEU A 36 -1.743 8.337 7.071 1.00 0.27 H new ATOM 0 HA LEU A 36 -1.318 5.755 8.328 1.00 0.29 H new ATOM 0 HB2 LEU A 36 -0.882 6.768 5.508 1.00 0.29 H new ATOM 0 HB3 LEU A 36 -0.488 5.140 6.026 1.00 0.29 H new ATOM 0 HG LEU A 36 -3.029 5.160 6.832 1.00 0.28 H new ATOM 0 HD11 LEU A 36 -4.433 6.378 5.223 1.00 0.32 H new ATOM 0 HD12 LEU A 36 -3.440 7.480 6.206 1.00 0.32 H new ATOM 0 HD13 LEU A 36 -2.976 7.124 4.525 1.00 0.32 H new ATOM 0 HD21 LEU A 36 -3.631 4.118 4.685 1.00 0.29 H new ATOM 0 HD22 LEU A 36 -2.140 4.763 3.960 1.00 0.29 H new ATOM 0 HD23 LEU A 36 -2.045 3.564 5.271 1.00 0.29 H new ATOM 576 N LEU A 37 1.044 7.893 7.868 1.00 0.41 N ATOM 577 CA LEU A 37 2.466 8.203 8.004 1.00 0.48 C ATOM 578 C LEU A 37 3.058 7.700 9.319 1.00 0.60 C ATOM 579 O LEU A 37 3.033 8.393 10.338 1.00 1.27 O ATOM 580 CB LEU A 37 2.722 9.703 7.863 1.00 0.76 C ATOM 581 CG LEU A 37 2.408 10.300 6.491 1.00 0.33 C ATOM 582 CD1 LEU A 37 3.176 11.589 6.283 1.00 0.77 C ATOM 583 CD2 LEU A 37 2.720 9.311 5.380 1.00 0.94 C ATOM 0 H LEU A 37 0.447 8.714 7.763 1.00 0.41 H new ATOM 0 HA LEU A 37 2.967 7.675 7.193 1.00 0.48 H new ATOM 0 HB2 LEU A 37 2.128 10.227 8.612 1.00 0.76 H new ATOM 0 HB3 LEU A 37 3.769 9.898 8.093 1.00 0.76 H new ATOM 0 HG LEU A 37 1.341 10.521 6.457 1.00 0.33 H new ATOM 0 HD11 LEU A 37 2.940 11.999 5.301 1.00 0.77 H new ATOM 0 HD12 LEU A 37 2.896 12.308 7.053 1.00 0.77 H new ATOM 0 HD13 LEU A 37 4.246 11.389 6.345 1.00 0.77 H new ATOM 0 HD21 LEU A 37 2.487 9.762 4.415 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.778 9.049 5.412 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.119 8.411 5.514 1.00 0.94 H new ATOM 595 N GLY A 38 3.548 6.473 9.283 1.00 0.31 N ATOM 596 CA GLY A 38 4.278 5.915 10.400 1.00 0.44 C ATOM 597 C GLY A 38 3.549 4.746 11.023 1.00 0.42 C ATOM 598 O GLY A 38 3.854 4.341 12.148 1.00 0.54 O ATOM 0 H GLY A 38 3.451 5.844 8.486 1.00 0.31 H new ATOM 0 HA2 GLY A 38 5.263 5.591 10.064 1.00 0.44 H new ATOM 0 HA3 GLY A 38 4.436 6.687 11.153 1.00 0.44 H new ATOM 602 N ARG A 39 2.582 4.201 10.296 1.00 0.34 N ATOM 603 CA ARG A 39 1.773 3.110 10.809 1.00 0.37 C ATOM 604 C ARG A 39 2.325 1.760 10.368 1.00 0.35 C ATOM 605 O ARG A 39 2.559 1.547 9.179 1.00 0.48 O ATOM 606 CB ARG A 39 0.336 3.235 10.294 1.00 0.48 C ATOM 607 CG ARG A 39 0.237 3.013 8.793 1.00 0.48 C ATOM 608 CD ARG A 39 -1.172 2.719 8.344 1.00 0.69 C ATOM 609 NE ARG A 39 -1.229 2.351 6.929 1.00 1.38 N ATOM 610 CZ ARG A 39 -1.656 1.169 6.482 1.00 1.72 C ATOM 611 NH1 ARG A 39 -1.995 0.215 7.337 1.00 1.80 N ATOM 612 NH2 ARG A 39 -1.729 0.939 5.178 1.00 2.61 N ATOM 0 H ARG A 39 2.341 4.498 9.350 1.00 0.34 H new ATOM 0 HA ARG A 39 1.794 3.169 11.897 1.00 0.37 H new ATOM 0 HB2 ARG A 39 -0.296 2.511 10.808 1.00 0.48 H new ATOM 0 HB3 ARG A 39 -0.050 4.225 10.538 1.00 0.48 H new ATOM 0 HG2 ARG A 39 0.603 3.898 8.273 1.00 0.48 H new ATOM 0 HG3 ARG A 39 0.886 2.185 8.508 1.00 0.48 H new ATOM 0 HD2 ARG A 39 -1.583 1.909 8.946 1.00 0.69 H new ATOM 0 HD3 ARG A 39 -1.798 3.594 8.517 1.00 0.69 H new ATOM 0 HE ARG A 39 -0.923 3.041 6.242 1.00 1.38 H new ATOM 0 HH11 ARG A 39 -1.930 0.383 8.341 1.00 1.80 H new ATOM 0 HH12 ARG A 39 -2.321 -0.687 6.991 1.00 1.80 H new ATOM 0 HH21 ARG A 39 -1.458 1.666 4.516 1.00 2.61 H new ATOM 0 HH22 ARG A 39 -2.056 0.035 4.837 1.00 2.61 H new ATOM 626 N SER A 40 2.652 0.898 11.320 1.00 0.37 N ATOM 627 CA SER A 40 2.692 -0.531 11.048 1.00 0.43 C ATOM 628 C SER A 40 1.501 -0.939 10.180 1.00 0.39 C ATOM 629 O SER A 40 0.400 -1.182 10.682 1.00 0.43 O ATOM 630 CB SER A 40 2.657 -1.300 12.362 1.00 0.57 C ATOM 631 OG SER A 40 3.541 -0.722 13.311 1.00 1.23 O ATOM 0 H SER A 40 2.891 1.159 12.277 1.00 0.37 H new ATOM 0 HA SER A 40 3.612 -0.764 10.513 1.00 0.43 H new ATOM 0 HB2 SER A 40 1.642 -1.303 12.759 1.00 0.57 H new ATOM 0 HB3 SER A 40 2.934 -2.340 12.187 1.00 0.57 H new ATOM 0 HG SER A 40 3.501 -1.231 14.148 1.00 1.23 H new ATOM 637 N ALA A 41 1.723 -0.964 8.875 1.00 0.35 N ATOM 638 CA ALA A 41 0.680 -1.281 7.921 1.00 0.34 C ATOM 639 C ALA A 41 0.047 -2.621 8.211 1.00 0.33 C ATOM 640 O ALA A 41 -1.172 -2.717 8.236 1.00 0.33 O ATOM 641 CB ALA A 41 1.224 -1.258 6.503 1.00 0.35 C ATOM 0 H ALA A 41 2.629 -0.765 8.452 1.00 0.35 H new ATOM 0 HA ALA A 41 -0.091 -0.517 8.018 1.00 0.34 H new ATOM 0 HB1 ALA A 41 0.424 -1.499 5.803 1.00 0.35 H new ATOM 0 HB2 ALA A 41 1.616 -0.266 6.280 1.00 0.35 H new ATOM 0 HB3 ALA A 41 2.023 -1.993 6.408 1.00 0.35 H new ATOM 647 N TYR A 42 0.877 -3.626 8.475 1.00 0.37 N ATOM 648 CA TYR A 42 0.427 -5.017 8.648 1.00 0.42 C ATOM 649 C TYR A 42 -0.759 -5.177 9.611 1.00 0.47 C ATOM 650 O TYR A 42 -1.441 -6.200 9.582 1.00 0.55 O ATOM 651 CB TYR A 42 1.586 -5.877 9.150 1.00 0.47 C ATOM 652 CG TYR A 42 2.739 -5.978 8.179 1.00 0.54 C ATOM 653 CD1 TYR A 42 2.568 -6.564 6.931 1.00 0.72 C ATOM 654 CD2 TYR A 42 3.998 -5.495 8.512 1.00 0.67 C ATOM 655 CE1 TYR A 42 3.618 -6.665 6.041 1.00 0.90 C ATOM 656 CE2 TYR A 42 5.055 -5.595 7.626 1.00 0.84 C ATOM 657 CZ TYR A 42 4.859 -6.181 6.392 1.00 0.91 C ATOM 658 OH TYR A 42 5.909 -6.291 5.512 1.00 1.14 O ATOM 0 H TYR A 42 1.885 -3.506 8.577 1.00 0.37 H new ATOM 0 HA TYR A 42 0.085 -5.343 7.666 1.00 0.42 H new ATOM 0 HB2 TYR A 42 1.951 -5.464 10.090 1.00 0.47 H new ATOM 0 HB3 TYR A 42 1.215 -6.879 9.364 1.00 0.47 H new ATOM 0 HD1 TYR A 42 1.597 -6.947 6.653 1.00 0.72 H new ATOM 0 HD2 TYR A 42 4.154 -5.035 9.477 1.00 0.67 H new ATOM 0 HE1 TYR A 42 3.467 -7.121 5.074 1.00 0.90 H new ATOM 0 HE2 TYR A 42 6.029 -5.216 7.898 1.00 0.84 H new ATOM 0 HH TYR A 42 6.714 -5.900 5.912 1.00 1.14 H new ATOM 668 N GLU A 43 -1.006 -4.184 10.463 1.00 0.48 N ATOM 669 CA GLU A 43 -2.085 -4.273 11.445 1.00 0.56 C ATOM 670 C GLU A 43 -3.467 -4.169 10.786 1.00 0.57 C ATOM 671 O GLU A 43 -4.469 -4.574 11.372 1.00 1.01 O ATOM 672 CB GLU A 43 -1.929 -3.183 12.509 1.00 0.65 C ATOM 673 CG GLU A 43 -0.562 -3.170 13.174 1.00 0.95 C ATOM 674 CD GLU A 43 -0.167 -4.523 13.725 1.00 1.72 C ATOM 675 OE1 GLU A 43 -0.572 -4.853 14.858 1.00 1.89 O ATOM 676 OE2 GLU A 43 0.552 -5.266 13.027 1.00 2.57 O ATOM 0 H GLU A 43 -0.477 -3.313 10.494 1.00 0.48 H new ATOM 0 HA GLU A 43 -2.015 -5.252 11.918 1.00 0.56 H new ATOM 0 HB2 GLU A 43 -2.109 -2.211 12.050 1.00 0.65 H new ATOM 0 HB3 GLU A 43 -2.694 -3.321 13.273 1.00 0.65 H new ATOM 0 HG2 GLU A 43 0.186 -2.844 12.451 1.00 0.95 H new ATOM 0 HG3 GLU A 43 -0.563 -2.439 13.983 1.00 0.95 H new ATOM 683 N PHE A 44 -3.513 -3.628 9.568 1.00 0.40 N ATOM 684 CA PHE A 44 -4.768 -3.487 8.828 1.00 0.38 C ATOM 685 C PHE A 44 -4.510 -3.362 7.336 1.00 0.30 C ATOM 686 O PHE A 44 -5.386 -2.989 6.551 1.00 0.40 O ATOM 687 CB PHE A 44 -5.600 -2.309 9.356 1.00 0.48 C ATOM 688 CG PHE A 44 -4.933 -0.949 9.372 1.00 0.48 C ATOM 689 CD1 PHE A 44 -3.791 -0.702 10.130 1.00 0.50 C ATOM 690 CD2 PHE A 44 -5.489 0.100 8.657 1.00 0.62 C ATOM 691 CE1 PHE A 44 -3.225 0.556 10.163 1.00 0.56 C ATOM 692 CE2 PHE A 44 -4.929 1.363 8.698 1.00 0.77 C ATOM 693 CZ PHE A 44 -3.798 1.589 9.452 1.00 0.70 C ATOM 0 H PHE A 44 -2.693 -3.279 9.072 1.00 0.40 H new ATOM 0 HA PHE A 44 -5.352 -4.393 8.988 1.00 0.38 H new ATOM 0 HB2 PHE A 44 -6.505 -2.236 8.752 1.00 0.48 H new ATOM 0 HB3 PHE A 44 -5.914 -2.545 10.373 1.00 0.48 H new ATOM 0 HD1 PHE A 44 -3.343 -1.504 10.698 1.00 0.50 H new ATOM 0 HD2 PHE A 44 -6.372 -0.072 8.059 1.00 0.62 H new ATOM 0 HE1 PHE A 44 -2.333 0.731 10.746 1.00 0.56 H new ATOM 0 HE2 PHE A 44 -5.377 2.172 8.140 1.00 0.77 H new ATOM 0 HZ PHE A 44 -3.360 2.576 9.486 1.00 0.70 H new ATOM 703 N TYR A 45 -3.294 -3.693 6.952 1.00 0.29 N ATOM 704 CA TYR A 45 -2.893 -3.781 5.565 1.00 0.28 C ATOM 705 C TYR A 45 -3.456 -5.049 4.940 1.00 0.30 C ATOM 706 O TYR A 45 -2.714 -5.996 4.687 1.00 0.37 O ATOM 707 CB TYR A 45 -1.365 -3.822 5.511 1.00 0.34 C ATOM 708 CG TYR A 45 -0.741 -3.276 4.255 1.00 0.42 C ATOM 709 CD1 TYR A 45 -1.219 -2.119 3.659 1.00 0.47 C ATOM 710 CD2 TYR A 45 0.355 -3.906 3.684 1.00 0.55 C ATOM 711 CE1 TYR A 45 -0.628 -1.607 2.522 1.00 0.61 C ATOM 712 CE2 TYR A 45 0.957 -3.400 2.552 1.00 0.68 C ATOM 713 CZ TYR A 45 0.463 -2.249 1.971 1.00 0.68 C ATOM 714 OH TYR A 45 1.062 -1.736 0.841 1.00 0.85 O ATOM 0 H TYR A 45 -2.544 -3.912 7.608 1.00 0.29 H new ATOM 0 HA TYR A 45 -3.272 -2.921 5.013 1.00 0.28 H new ATOM 0 HB2 TYR A 45 -0.975 -3.263 6.361 1.00 0.34 H new ATOM 0 HB3 TYR A 45 -1.043 -4.856 5.635 1.00 0.34 H new ATOM 0 HD1 TYR A 45 -2.068 -1.610 4.092 1.00 0.47 H new ATOM 0 HD2 TYR A 45 0.743 -4.808 4.134 1.00 0.55 H new ATOM 0 HE1 TYR A 45 -1.017 -0.709 2.066 1.00 0.61 H new ATOM 0 HE2 TYR A 45 1.811 -3.902 2.121 1.00 0.68 H new ATOM 0 HH TYR A 45 1.605 -0.957 1.083 1.00 0.85 H new ATOM 724 N HIS A 46 -4.773 -5.058 4.716 1.00 0.28 N ATOM 725 CA HIS A 46 -5.475 -6.182 4.081 1.00 0.31 C ATOM 726 C HIS A 46 -5.570 -7.344 5.055 1.00 0.37 C ATOM 727 O HIS A 46 -4.582 -8.012 5.304 1.00 0.57 O ATOM 728 CB HIS A 46 -4.789 -6.657 2.784 1.00 0.37 C ATOM 729 CG HIS A 46 -4.044 -5.585 2.058 1.00 0.35 C ATOM 730 ND1 HIS A 46 -2.733 -5.725 1.678 1.00 0.39 N ATOM 731 CD2 HIS A 46 -4.398 -4.326 1.726 1.00 0.44 C ATOM 732 CE1 HIS A 46 -2.311 -4.598 1.149 1.00 0.36 C ATOM 733 NE2 HIS A 46 -3.299 -3.727 1.166 1.00 0.43 N ATOM 0 H HIS A 46 -5.387 -4.284 4.970 1.00 0.28 H new ATOM 0 HA HIS A 46 -6.470 -5.826 3.812 1.00 0.31 H new ATOM 0 HB2 HIS A 46 -4.098 -7.464 3.026 1.00 0.37 H new ATOM 0 HB3 HIS A 46 -5.545 -7.074 2.118 1.00 0.37 H new ATOM 0 HD2 HIS A 46 -5.368 -3.874 1.874 1.00 0.44 H new ATOM 0 HE1 HIS A 46 -1.318 -4.416 0.764 1.00 0.36 H new ATOM 0 HE2 HIS A 46 -3.254 -2.768 0.821 1.00 0.43 H new ATOM 742 N ALA A 47 -6.751 -7.591 5.600 1.00 0.39 N ATOM 743 CA ALA A 47 -6.904 -8.607 6.642 1.00 0.44 C ATOM 744 C ALA A 47 -6.333 -9.962 6.215 1.00 0.44 C ATOM 745 O ALA A 47 -5.402 -10.471 6.836 1.00 0.48 O ATOM 746 CB ALA A 47 -8.365 -8.754 7.023 1.00 0.57 C ATOM 0 H ALA A 47 -7.613 -7.110 5.345 1.00 0.39 H new ATOM 0 HA ALA A 47 -6.335 -8.270 7.509 1.00 0.44 H new ATOM 0 HB1 ALA A 47 -8.464 -9.513 7.799 1.00 0.57 H new ATOM 0 HB2 ALA A 47 -8.741 -7.802 7.397 1.00 0.57 H new ATOM 0 HB3 ALA A 47 -8.941 -9.053 6.147 1.00 0.57 H new ATOM 752 N LEU A 48 -6.880 -10.534 5.155 1.00 0.48 N ATOM 753 CA LEU A 48 -6.431 -11.838 4.671 1.00 0.53 C ATOM 754 C LEU A 48 -5.239 -11.738 3.720 1.00 0.48 C ATOM 755 O LEU A 48 -4.535 -12.725 3.502 1.00 0.52 O ATOM 756 CB LEU A 48 -7.572 -12.585 3.977 1.00 0.67 C ATOM 757 CG LEU A 48 -8.144 -11.904 2.732 1.00 0.76 C ATOM 758 CD1 LEU A 48 -8.821 -12.935 1.845 1.00 1.20 C ATOM 759 CD2 LEU A 48 -9.138 -10.820 3.122 1.00 0.99 C ATOM 0 H LEU A 48 -7.636 -10.119 4.610 1.00 0.48 H new ATOM 0 HA LEU A 48 -6.108 -12.393 5.552 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -7.216 -13.576 3.696 1.00 0.67 H new ATOM 0 HB3 LEU A 48 -8.379 -12.728 4.695 1.00 0.67 H new ATOM 0 HG LEU A 48 -7.325 -11.439 2.183 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -9.226 -12.444 0.960 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -8.093 -13.687 1.541 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -9.630 -13.414 2.396 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -9.533 -10.348 2.222 1.00 0.99 H new ATOM 0 HD22 LEU A 48 -9.957 -11.264 3.688 1.00 0.99 H new ATOM 0 HD23 LEU A 48 -8.637 -10.071 3.735 1.00 0.99 H new ATOM 771 N ASP A 49 -4.996 -10.557 3.165 1.00 0.45 N ATOM 772 CA ASP A 49 -3.971 -10.414 2.128 1.00 0.45 C ATOM 773 C ASP A 49 -2.673 -9.895 2.726 1.00 0.41 C ATOM 774 O ASP A 49 -1.651 -9.854 2.049 1.00 0.49 O ATOM 775 CB ASP A 49 -4.408 -9.441 1.033 1.00 0.55 C ATOM 776 CG ASP A 49 -5.778 -9.721 0.475 1.00 0.91 C ATOM 777 OD1 ASP A 49 -5.909 -10.728 -0.247 1.00 1.07 O ATOM 778 OD2 ASP A 49 -6.723 -8.957 0.764 1.00 1.64 O ATOM 0 H ASP A 49 -5.484 -9.695 3.408 1.00 0.45 H new ATOM 0 HA ASP A 49 -3.823 -11.403 1.695 1.00 0.45 H new ATOM 0 HB2 ASP A 49 -4.391 -8.428 1.434 1.00 0.55 H new ATOM 0 HB3 ASP A 49 -3.682 -9.475 0.220 1.00 0.55 H new ATOM 783 N SER A 50 -2.737 -9.451 3.974 1.00 0.36 N ATOM 784 CA SER A 50 -1.558 -8.958 4.694 1.00 0.35 C ATOM 785 C SER A 50 -0.390 -9.924 4.574 1.00 0.35 C ATOM 786 O SER A 50 0.697 -9.533 4.153 1.00 0.41 O ATOM 787 CB SER A 50 -1.884 -8.728 6.172 1.00 0.37 C ATOM 788 OG SER A 50 -0.800 -8.127 6.857 1.00 1.25 O ATOM 0 H SER A 50 -3.599 -9.420 4.518 1.00 0.36 H new ATOM 0 HA SER A 50 -1.271 -8.011 4.238 1.00 0.35 H new ATOM 0 HB2 SER A 50 -2.766 -8.093 6.256 1.00 0.37 H new ATOM 0 HB3 SER A 50 -2.131 -9.679 6.643 1.00 0.37 H new ATOM 0 HG SER A 50 -1.041 -7.993 7.797 1.00 1.25 H new ATOM 794 N GLU A 51 -0.617 -11.184 4.928 1.00 0.38 N ATOM 795 CA GLU A 51 0.434 -12.190 4.853 1.00 0.45 C ATOM 796 C GLU A 51 0.905 -12.370 3.418 1.00 0.43 C ATOM 797 O GLU A 51 2.101 -12.479 3.162 1.00 0.47 O ATOM 798 CB GLU A 51 -0.042 -13.521 5.425 1.00 0.55 C ATOM 799 CG GLU A 51 -0.262 -13.478 6.924 1.00 1.32 C ATOM 800 CD GLU A 51 -0.623 -14.830 7.499 1.00 1.99 C ATOM 801 OE1 GLU A 51 0.078 -15.816 7.190 1.00 2.49 O ATOM 802 OE2 GLU A 51 -1.625 -14.915 8.240 1.00 2.68 O ATOM 0 H GLU A 51 -1.514 -11.531 5.268 1.00 0.38 H new ATOM 0 HA GLU A 51 1.274 -11.841 5.453 1.00 0.45 H new ATOM 0 HB2 GLU A 51 -0.972 -13.808 4.935 1.00 0.55 H new ATOM 0 HB3 GLU A 51 0.692 -14.293 5.193 1.00 0.55 H new ATOM 0 HG2 GLU A 51 0.642 -13.111 7.410 1.00 1.32 H new ATOM 0 HG3 GLU A 51 -1.057 -12.767 7.150 1.00 1.32 H new ATOM 809 N ASN A 52 -0.038 -12.386 2.488 1.00 0.43 N ATOM 810 CA ASN A 52 0.287 -12.455 1.065 1.00 0.48 C ATOM 811 C ASN A 52 1.227 -11.319 0.674 1.00 0.41 C ATOM 812 O ASN A 52 2.271 -11.543 0.060 1.00 0.44 O ATOM 813 CB ASN A 52 -0.992 -12.393 0.226 1.00 0.56 C ATOM 814 CG ASN A 52 -0.711 -12.378 -1.264 1.00 1.11 C ATOM 815 OD1 ASN A 52 -0.582 -11.317 -1.878 1.00 1.96 O ATOM 816 ND2 ASN A 52 -0.602 -13.553 -1.855 1.00 1.31 N ATOM 0 H ASN A 52 -1.037 -12.352 2.690 1.00 0.43 H new ATOM 0 HA ASN A 52 0.790 -13.403 0.872 1.00 0.48 H new ATOM 0 HB2 ASN A 52 -1.621 -13.251 0.465 1.00 0.56 H new ATOM 0 HB3 ASN A 52 -1.556 -11.500 0.495 1.00 0.56 H new ATOM 0 HD21 ASN A 52 -0.404 -13.605 -2.854 1.00 1.31 H new ATOM 0 HD22 ASN A 52 -0.715 -14.409 -1.312 1.00 1.31 H new ATOM 823 N MET A 53 0.859 -10.103 1.060 1.00 0.35 N ATOM 824 CA MET A 53 1.687 -8.931 0.803 1.00 0.35 C ATOM 825 C MET A 53 2.976 -8.982 1.620 1.00 0.34 C ATOM 826 O MET A 53 3.982 -8.389 1.241 1.00 0.35 O ATOM 827 CB MET A 53 0.916 -7.645 1.109 1.00 0.42 C ATOM 828 CG MET A 53 -0.306 -7.440 0.226 1.00 0.96 C ATOM 829 SD MET A 53 0.090 -7.326 -1.532 1.00 1.28 S ATOM 830 CE MET A 53 1.205 -5.925 -1.549 1.00 0.79 C ATOM 0 H MET A 53 -0.011 -9.903 1.554 1.00 0.35 H new ATOM 0 HA MET A 53 1.951 -8.934 -0.255 1.00 0.35 H new ATOM 0 HB2 MET A 53 0.601 -7.660 2.152 1.00 0.42 H new ATOM 0 HB3 MET A 53 1.586 -6.793 0.991 1.00 0.42 H new ATOM 0 HG2 MET A 53 -1.000 -8.266 0.382 1.00 0.96 H new ATOM 0 HG3 MET A 53 -0.820 -6.530 0.535 1.00 0.96 H new ATOM 0 HE1 MET A 53 1.296 -5.545 -2.567 1.00 0.79 H new ATOM 0 HE2 MET A 53 0.813 -5.140 -0.902 1.00 0.79 H new ATOM 0 HE3 MET A 53 2.186 -6.236 -1.189 1.00 0.79 H new ATOM 840 N THR A 54 2.945 -9.685 2.746 1.00 0.37 N ATOM 841 CA THR A 54 4.157 -9.936 3.518 1.00 0.45 C ATOM 842 C THR A 54 5.129 -10.788 2.697 1.00 0.45 C ATOM 843 O THR A 54 6.340 -10.567 2.717 1.00 0.48 O ATOM 844 CB THR A 54 3.849 -10.634 4.861 1.00 0.55 C ATOM 845 OG1 THR A 54 2.918 -9.848 5.618 1.00 0.57 O ATOM 846 CG2 THR A 54 5.114 -10.833 5.682 1.00 0.72 C ATOM 0 H THR A 54 2.098 -10.090 3.144 1.00 0.37 H new ATOM 0 HA THR A 54 4.613 -8.972 3.744 1.00 0.45 H new ATOM 0 HB THR A 54 3.420 -11.611 4.638 1.00 0.55 H new ATOM 0 HG1 THR A 54 2.059 -9.814 5.147 1.00 0.57 H new ATOM 0 HG21 THR A 54 4.864 -11.327 6.621 1.00 0.72 H new ATOM 0 HG22 THR A 54 5.817 -11.451 5.123 1.00 0.72 H new ATOM 0 HG23 THR A 54 5.568 -9.864 5.891 1.00 0.72 H new ATOM 854 N LYS A 55 4.589 -11.754 1.952 1.00 0.46 N ATOM 855 CA LYS A 55 5.402 -12.533 1.023 1.00 0.52 C ATOM 856 C LYS A 55 5.850 -11.653 -0.132 1.00 0.41 C ATOM 857 O LYS A 55 6.920 -11.852 -0.702 1.00 0.42 O ATOM 858 CB LYS A 55 4.651 -13.765 0.489 1.00 0.67 C ATOM 859 CG LYS A 55 4.803 -15.012 1.358 1.00 0.95 C ATOM 860 CD LYS A 55 3.921 -14.970 2.596 1.00 1.14 C ATOM 861 CE LYS A 55 2.473 -15.341 2.285 1.00 1.37 C ATOM 862 NZ LYS A 55 2.337 -16.754 1.845 1.00 1.49 N ATOM 0 H LYS A 55 3.602 -12.012 1.974 1.00 0.46 H new ATOM 0 HA LYS A 55 6.273 -12.895 1.569 1.00 0.52 H new ATOM 0 HB2 LYS A 55 3.592 -13.522 0.402 1.00 0.67 H new ATOM 0 HB3 LYS A 55 5.010 -13.989 -0.516 1.00 0.67 H new ATOM 0 HG2 LYS A 55 4.554 -15.894 0.768 1.00 0.95 H new ATOM 0 HG3 LYS A 55 5.845 -15.115 1.661 1.00 0.95 H new ATOM 0 HD2 LYS A 55 4.317 -15.655 3.346 1.00 1.14 H new ATOM 0 HD3 LYS A 55 3.953 -13.970 3.029 1.00 1.14 H new ATOM 0 HE2 LYS A 55 1.860 -15.178 3.171 1.00 1.37 H new ATOM 0 HE3 LYS A 55 2.090 -14.681 1.506 1.00 1.37 H new ATOM 0 HZ1 LYS A 55 1.352 -17.063 1.969 1.00 1.49 H new ATOM 0 HZ2 LYS A 55 2.600 -16.832 0.842 1.00 1.49 H new ATOM 0 HZ3 LYS A 55 2.964 -17.357 2.415 1.00 1.49 H new ATOM 876 N SER A 56 5.027 -10.670 -0.464 1.00 0.36 N ATOM 877 CA SER A 56 5.370 -9.700 -1.488 1.00 0.34 C ATOM 878 C SER A 56 6.496 -8.784 -1.009 1.00 0.28 C ATOM 879 O SER A 56 7.340 -8.376 -1.796 1.00 0.28 O ATOM 880 CB SER A 56 4.137 -8.885 -1.875 1.00 0.39 C ATOM 881 OG SER A 56 3.088 -9.736 -2.299 1.00 1.26 O ATOM 0 H SER A 56 4.113 -10.524 -0.036 1.00 0.36 H new ATOM 0 HA SER A 56 5.723 -10.235 -2.370 1.00 0.34 H new ATOM 0 HB2 SER A 56 3.807 -8.289 -1.024 1.00 0.39 H new ATOM 0 HB3 SER A 56 4.392 -8.188 -2.673 1.00 0.39 H new ATOM 0 HG SER A 56 2.852 -10.351 -1.573 1.00 1.26 H new ATOM 887 N HIS A 57 6.505 -8.467 0.286 1.00 0.29 N ATOM 888 CA HIS A 57 7.610 -7.722 0.892 1.00 0.30 C ATOM 889 C HIS A 57 8.901 -8.515 0.742 1.00 0.31 C ATOM 890 O HIS A 57 9.941 -7.965 0.396 1.00 0.34 O ATOM 891 CB HIS A 57 7.323 -7.442 2.376 1.00 0.35 C ATOM 892 CG HIS A 57 8.448 -6.762 3.118 1.00 0.36 C ATOM 893 ND1 HIS A 57 8.746 -7.027 4.436 1.00 0.53 N ATOM 894 CD2 HIS A 57 9.336 -5.817 2.723 1.00 0.34 C ATOM 895 CE1 HIS A 57 9.762 -6.275 4.818 1.00 0.51 C ATOM 896 NE2 HIS A 57 10.143 -5.533 3.797 1.00 0.39 N ATOM 0 H HIS A 57 5.759 -8.715 0.936 1.00 0.29 H new ATOM 0 HA HIS A 57 7.716 -6.765 0.381 1.00 0.30 H new ATOM 0 HB2 HIS A 57 6.430 -6.821 2.449 1.00 0.35 H new ATOM 0 HB3 HIS A 57 7.096 -8.385 2.873 1.00 0.35 H new ATOM 0 HD2 HIS A 57 9.398 -5.369 1.742 1.00 0.34 H new ATOM 0 HE1 HIS A 57 10.207 -6.269 5.802 1.00 0.51 H new ATOM 0 HE2 HIS A 57 10.910 -4.860 3.804 1.00 0.39 H new ATOM 905 N GLN A 58 8.806 -9.815 0.976 1.00 0.32 N ATOM 906 CA GLN A 58 9.950 -10.713 0.862 1.00 0.37 C ATOM 907 C GLN A 58 10.355 -10.889 -0.600 1.00 0.33 C ATOM 908 O GLN A 58 11.510 -11.172 -0.910 1.00 0.37 O ATOM 909 CB GLN A 58 9.614 -12.060 1.496 1.00 0.46 C ATOM 910 CG GLN A 58 9.236 -11.945 2.962 1.00 1.24 C ATOM 911 CD GLN A 58 8.750 -13.254 3.555 1.00 1.77 C ATOM 912 OE1 GLN A 58 9.536 -14.058 4.050 1.00 2.36 O ATOM 913 NE2 GLN A 58 7.446 -13.463 3.533 1.00 2.26 N ATOM 0 H GLN A 58 7.939 -10.278 1.249 1.00 0.32 H new ATOM 0 HA GLN A 58 10.796 -10.276 1.393 1.00 0.37 H new ATOM 0 HB2 GLN A 58 8.790 -12.518 0.948 1.00 0.46 H new ATOM 0 HB3 GLN A 58 10.471 -12.726 1.398 1.00 0.46 H new ATOM 0 HG2 GLN A 58 10.100 -11.595 3.528 1.00 1.24 H new ATOM 0 HG3 GLN A 58 8.456 -11.191 3.072 1.00 1.24 H new ATOM 0 HE21 GLN A 58 6.826 -12.771 3.113 1.00 2.26 H new ATOM 0 HE22 GLN A 58 7.059 -14.316 3.936 1.00 2.26 H new ATOM 922 N ASN A 59 9.397 -10.696 -1.492 1.00 0.28 N ATOM 923 CA ASN A 59 9.647 -10.798 -2.924 1.00 0.28 C ATOM 924 C ASN A 59 10.306 -9.517 -3.418 1.00 0.29 C ATOM 925 O ASN A 59 11.397 -9.530 -3.986 1.00 0.34 O ATOM 926 CB ASN A 59 8.339 -11.011 -3.678 1.00 0.30 C ATOM 927 CG ASN A 59 8.547 -11.249 -5.161 1.00 0.38 C ATOM 928 OD1 ASN A 59 9.546 -11.834 -5.573 1.00 0.64 O ATOM 929 ND2 ASN A 59 7.608 -10.792 -5.972 1.00 0.83 N ATOM 0 H ASN A 59 8.433 -10.466 -1.249 1.00 0.28 H new ATOM 0 HA ASN A 59 10.305 -11.648 -3.105 1.00 0.28 H new ATOM 0 HB2 ASN A 59 7.812 -11.863 -3.248 1.00 0.30 H new ATOM 0 HB3 ASN A 59 7.700 -10.139 -3.541 1.00 0.30 H new ATOM 0 HD21 ASN A 59 7.698 -10.920 -6.980 1.00 0.83 H new ATOM 0 HD22 ASN A 59 6.794 -10.311 -5.590 1.00 0.83 H new ATOM 936 N LEU A 60 9.642 -8.407 -3.130 1.00 0.27 N ATOM 937 CA LEU A 60 10.071 -7.082 -3.557 1.00 0.28 C ATOM 938 C LEU A 60 11.428 -6.735 -2.950 1.00 0.34 C ATOM 939 O LEU A 60 12.194 -5.951 -3.514 1.00 0.43 O ATOM 940 CB LEU A 60 9.004 -6.065 -3.133 1.00 0.25 C ATOM 941 CG LEU A 60 9.309 -4.600 -3.423 1.00 0.26 C ATOM 942 CD1 LEU A 60 9.466 -4.365 -4.912 1.00 0.29 C ATOM 943 CD2 LEU A 60 8.217 -3.710 -2.852 1.00 0.33 C ATOM 0 H LEU A 60 8.779 -8.401 -2.586 1.00 0.27 H new ATOM 0 HA LEU A 60 10.184 -7.060 -4.641 1.00 0.28 H new ATOM 0 HB2 LEU A 60 8.069 -6.324 -3.630 1.00 0.25 H new ATOM 0 HB3 LEU A 60 8.836 -6.173 -2.061 1.00 0.25 H new ATOM 0 HG LEU A 60 10.253 -4.345 -2.941 1.00 0.26 H new ATOM 0 HD11 LEU A 60 9.683 -3.312 -5.093 1.00 0.29 H new ATOM 0 HD12 LEU A 60 10.285 -4.975 -5.292 1.00 0.29 H new ATOM 0 HD13 LEU A 60 8.543 -4.638 -5.423 1.00 0.29 H new ATOM 0 HD21 LEU A 60 8.448 -2.667 -3.067 1.00 0.33 H new ATOM 0 HD22 LEU A 60 7.261 -3.970 -3.306 1.00 0.33 H new ATOM 0 HD23 LEU A 60 8.158 -3.854 -1.773 1.00 0.33 H new ATOM 955 N CYS A 61 11.727 -7.361 -1.820 1.00 0.36 N ATOM 956 CA CYS A 61 12.955 -7.111 -1.077 1.00 0.48 C ATOM 957 C CYS A 61 14.198 -7.478 -1.886 1.00 0.58 C ATOM 958 O CYS A 61 15.294 -7.004 -1.590 1.00 0.92 O ATOM 959 CB CYS A 61 12.940 -7.893 0.239 1.00 0.54 C ATOM 960 SG CYS A 61 14.353 -7.572 1.321 1.00 1.20 S ATOM 0 H CYS A 61 11.121 -8.060 -1.390 1.00 0.36 H new ATOM 0 HA CYS A 61 13.000 -6.042 -0.869 1.00 0.48 H new ATOM 0 HB2 CYS A 61 12.024 -7.653 0.779 1.00 0.54 H new ATOM 0 HB3 CYS A 61 12.907 -8.959 0.013 1.00 0.54 H new ATOM 0 HG CYS A 61 15.377 -7.217 0.603 1.00 1.20 H new ATOM 966 N THR A 62 14.044 -8.319 -2.906 1.00 0.54 N ATOM 967 CA THR A 62 15.194 -8.825 -3.641 1.00 0.76 C ATOM 968 C THR A 62 14.821 -9.062 -5.100 1.00 0.60 C ATOM 969 O THR A 62 15.396 -9.906 -5.790 1.00 0.82 O ATOM 970 CB THR A 62 15.729 -10.132 -3.003 1.00 1.11 C ATOM 971 OG1 THR A 62 15.699 -10.031 -1.570 1.00 1.27 O ATOM 972 CG2 THR A 62 17.160 -10.414 -3.447 1.00 1.45 C ATOM 0 H THR A 62 13.142 -8.660 -3.238 1.00 0.54 H new ATOM 0 HA THR A 62 15.986 -8.077 -3.595 1.00 0.76 H new ATOM 0 HB THR A 62 15.087 -10.949 -3.333 1.00 1.11 H new ATOM 0 HG1 THR A 62 16.037 -10.862 -1.176 1.00 1.27 H new ATOM 0 HG21 THR A 62 17.509 -11.337 -2.984 1.00 1.45 H new ATOM 0 HG22 THR A 62 17.191 -10.518 -4.532 1.00 1.45 H new ATOM 0 HG23 THR A 62 17.804 -9.589 -3.143 1.00 1.45 H new ATOM 980 N LYS A 63 13.852 -8.291 -5.567 1.00 0.50 N ATOM 981 CA LYS A 63 13.486 -8.293 -6.972 1.00 0.43 C ATOM 982 C LYS A 63 13.607 -6.892 -7.568 1.00 0.39 C ATOM 983 O LYS A 63 13.829 -6.738 -8.768 1.00 0.39 O ATOM 984 CB LYS A 63 12.066 -8.810 -7.158 1.00 0.45 C ATOM 985 CG LYS A 63 11.902 -10.296 -6.881 1.00 0.54 C ATOM 986 CD LYS A 63 12.591 -11.149 -7.934 1.00 0.68 C ATOM 987 CE LYS A 63 12.379 -12.634 -7.671 1.00 0.85 C ATOM 988 NZ LYS A 63 10.933 -12.991 -7.633 1.00 1.76 N ATOM 0 H LYS A 63 13.303 -7.654 -4.990 1.00 0.50 H new ATOM 0 HA LYS A 63 14.175 -8.957 -7.494 1.00 0.43 H new ATOM 0 HB2 LYS A 63 11.400 -8.253 -6.499 1.00 0.45 H new ATOM 0 HB3 LYS A 63 11.748 -8.605 -8.180 1.00 0.45 H new ATOM 0 HG2 LYS A 63 12.313 -10.530 -5.899 1.00 0.54 H new ATOM 0 HG3 LYS A 63 10.841 -10.544 -6.850 1.00 0.54 H new ATOM 0 HD2 LYS A 63 12.205 -10.894 -8.921 1.00 0.68 H new ATOM 0 HD3 LYS A 63 13.658 -10.928 -7.942 1.00 0.68 H new ATOM 0 HE2 LYS A 63 12.876 -13.215 -8.448 1.00 0.85 H new ATOM 0 HE3 LYS A 63 12.845 -12.905 -6.724 1.00 0.85 H new ATOM 0 HZ1 LYS A 63 10.818 -14.000 -7.859 1.00 1.76 H new ATOM 0 HZ2 LYS A 63 10.554 -12.804 -6.683 1.00 1.76 H new ATOM 0 HZ3 LYS A 63 10.416 -12.419 -8.331 1.00 1.76 H new ATOM 1002 N GLY A 64 13.452 -5.873 -6.721 1.00 0.40 N ATOM 1003 CA GLY A 64 13.528 -4.495 -7.182 1.00 0.42 C ATOM 1004 C GLY A 64 12.190 -3.982 -7.677 1.00 0.37 C ATOM 1005 O GLY A 64 12.022 -2.787 -7.929 1.00 0.41 O ATOM 0 H GLY A 64 13.275 -5.979 -5.722 1.00 0.40 H new ATOM 0 HA2 GLY A 64 13.880 -3.861 -6.369 1.00 0.42 H new ATOM 0 HA3 GLY A 64 14.262 -4.422 -7.984 1.00 0.42 H new ATOM 1009 N GLN A 65 11.230 -4.887 -7.782 1.00 0.34 N ATOM 1010 CA GLN A 65 9.903 -4.579 -8.293 1.00 0.33 C ATOM 1011 C GLN A 65 8.965 -5.738 -7.974 1.00 0.34 C ATOM 1012 O GLN A 65 9.402 -6.883 -7.876 1.00 0.43 O ATOM 1013 CB GLN A 65 9.950 -4.319 -9.804 1.00 0.41 C ATOM 1014 CG GLN A 65 8.606 -3.927 -10.397 1.00 0.49 C ATOM 1015 CD GLN A 65 8.687 -3.598 -11.871 1.00 0.81 C ATOM 1016 OE1 GLN A 65 8.526 -4.470 -12.725 1.00 1.37 O ATOM 1017 NE2 GLN A 65 8.924 -2.335 -12.181 1.00 1.32 N ATOM 0 H GLN A 65 11.350 -5.864 -7.513 1.00 0.34 H new ATOM 0 HA GLN A 65 9.533 -3.673 -7.813 1.00 0.33 H new ATOM 0 HB2 GLN A 65 10.671 -3.527 -10.006 1.00 0.41 H new ATOM 0 HB3 GLN A 65 10.312 -5.216 -10.307 1.00 0.41 H new ATOM 0 HG2 GLN A 65 7.898 -4.743 -10.250 1.00 0.49 H new ATOM 0 HG3 GLN A 65 8.214 -3.064 -9.858 1.00 0.49 H new ATOM 0 HE21 GLN A 65 9.051 -1.644 -11.442 1.00 1.32 H new ATOM 0 HE22 GLN A 65 8.979 -2.052 -13.159 1.00 1.32 H new ATOM 1026 N VAL A 66 7.692 -5.436 -7.776 1.00 0.32 N ATOM 1027 CA VAL A 66 6.713 -6.454 -7.431 1.00 0.35 C ATOM 1028 C VAL A 66 5.354 -6.096 -8.019 1.00 0.33 C ATOM 1029 O VAL A 66 5.007 -4.923 -8.126 1.00 0.32 O ATOM 1030 CB VAL A 66 6.593 -6.622 -5.895 1.00 0.36 C ATOM 1031 CG1 VAL A 66 6.114 -5.339 -5.235 1.00 0.31 C ATOM 1032 CG2 VAL A 66 5.658 -7.760 -5.540 1.00 0.44 C ATOM 0 H VAL A 66 7.312 -4.492 -7.848 1.00 0.32 H new ATOM 0 HA VAL A 66 7.052 -7.401 -7.852 1.00 0.35 H new ATOM 0 HB VAL A 66 7.589 -6.856 -5.519 1.00 0.36 H new ATOM 0 HG11 VAL A 66 6.040 -5.489 -4.158 1.00 0.31 H new ATOM 0 HG12 VAL A 66 6.823 -4.537 -5.442 1.00 0.31 H new ATOM 0 HG13 VAL A 66 5.135 -5.069 -5.632 1.00 0.31 H new ATOM 0 HG21 VAL A 66 5.594 -7.854 -4.456 1.00 0.44 H new ATOM 0 HG22 VAL A 66 4.667 -7.557 -5.946 1.00 0.44 H new ATOM 0 HG23 VAL A 66 6.039 -8.690 -5.962 1.00 0.44 H new ATOM 1042 N VAL A 67 4.603 -7.100 -8.426 1.00 0.39 N ATOM 1043 CA VAL A 67 3.263 -6.883 -8.930 1.00 0.45 C ATOM 1044 C VAL A 67 2.261 -7.675 -8.098 1.00 0.49 C ATOM 1045 O VAL A 67 2.562 -8.772 -7.624 1.00 0.92 O ATOM 1046 CB VAL A 67 3.153 -7.275 -10.423 1.00 0.58 C ATOM 1047 CG1 VAL A 67 1.751 -7.026 -10.951 1.00 0.91 C ATOM 1048 CG2 VAL A 67 4.172 -6.506 -11.252 1.00 1.16 C ATOM 0 H VAL A 67 4.899 -8.076 -8.417 1.00 0.39 H new ATOM 0 HA VAL A 67 3.036 -5.820 -8.848 1.00 0.45 H new ATOM 0 HB VAL A 67 3.364 -8.341 -10.507 1.00 0.58 H new ATOM 0 HG11 VAL A 67 1.702 -7.310 -12.002 1.00 0.91 H new ATOM 0 HG12 VAL A 67 1.037 -7.620 -10.381 1.00 0.91 H new ATOM 0 HG13 VAL A 67 1.506 -5.969 -10.849 1.00 0.91 H new ATOM 0 HG21 VAL A 67 4.081 -6.794 -12.299 1.00 1.16 H new ATOM 0 HG22 VAL A 67 3.989 -5.436 -11.153 1.00 1.16 H new ATOM 0 HG23 VAL A 67 5.177 -6.737 -10.899 1.00 1.16 H new ATOM 1058 N SER A 68 1.078 -7.110 -7.926 1.00 0.52 N ATOM 1059 CA SER A 68 0.030 -7.740 -7.148 1.00 0.54 C ATOM 1060 C SER A 68 -1.312 -7.144 -7.549 1.00 0.53 C ATOM 1061 O SER A 68 -1.374 -6.015 -8.046 1.00 0.94 O ATOM 1062 CB SER A 68 0.285 -7.544 -5.648 1.00 0.58 C ATOM 1063 OG SER A 68 -0.510 -8.422 -4.866 1.00 1.39 O ATOM 0 H SER A 68 0.820 -6.206 -8.321 1.00 0.52 H new ATOM 0 HA SER A 68 0.021 -8.812 -7.347 1.00 0.54 H new ATOM 0 HB2 SER A 68 1.339 -7.716 -5.432 1.00 0.58 H new ATOM 0 HB3 SER A 68 0.067 -6.512 -5.373 1.00 0.58 H new ATOM 0 HG SER A 68 -0.422 -8.187 -3.919 1.00 1.39 H new ATOM 1069 N GLY A 69 -2.375 -7.904 -7.346 1.00 0.46 N ATOM 1070 CA GLY A 69 -3.656 -7.509 -7.855 1.00 0.43 C ATOM 1071 C GLY A 69 -4.569 -6.956 -6.794 1.00 0.38 C ATOM 1072 O GLY A 69 -4.138 -6.616 -5.692 1.00 0.42 O ATOM 0 H GLY A 69 -2.367 -8.787 -6.836 1.00 0.46 H new ATOM 0 HA2 GLY A 69 -3.515 -6.758 -8.632 1.00 0.43 H new ATOM 0 HA3 GLY A 69 -4.134 -8.368 -8.325 1.00 0.43 H new ATOM 1076 N GLN A 70 -5.829 -6.855 -7.168 1.00 0.39 N ATOM 1077 CA GLN A 70 -6.900 -6.429 -6.299 1.00 0.43 C ATOM 1078 C GLN A 70 -6.883 -7.219 -4.992 1.00 0.35 C ATOM 1079 O GLN A 70 -7.085 -8.431 -4.981 1.00 0.36 O ATOM 1080 CB GLN A 70 -8.223 -6.684 -7.023 1.00 0.62 C ATOM 1081 CG GLN A 70 -8.229 -6.279 -8.492 1.00 0.78 C ATOM 1082 CD GLN A 70 -9.469 -6.766 -9.217 1.00 0.78 C ATOM 1083 OE1 GLN A 70 -9.488 -7.872 -9.756 1.00 1.14 O ATOM 1084 NE2 GLN A 70 -10.507 -5.946 -9.245 1.00 1.31 N ATOM 0 H GLN A 70 -6.142 -7.074 -8.114 1.00 0.39 H new ATOM 0 HA GLN A 70 -6.779 -5.372 -6.062 1.00 0.43 H new ATOM 0 HB2 GLN A 70 -8.463 -7.745 -6.951 1.00 0.62 H new ATOM 0 HB3 GLN A 70 -9.015 -6.142 -6.507 1.00 0.62 H new ATOM 0 HG2 GLN A 70 -8.169 -5.193 -8.568 1.00 0.78 H new ATOM 0 HG3 GLN A 70 -7.342 -6.682 -8.982 1.00 0.78 H new ATOM 0 HE21 GLN A 70 -10.451 -5.037 -8.786 1.00 1.31 H new ATOM 0 HE22 GLN A 70 -11.363 -6.223 -9.726 1.00 1.31 H new ATOM 1093 N TYR A 71 -6.624 -6.526 -3.903 1.00 0.35 N ATOM 1094 CA TYR A 71 -6.662 -7.121 -2.579 1.00 0.36 C ATOM 1095 C TYR A 71 -7.689 -6.390 -1.736 1.00 0.32 C ATOM 1096 O TYR A 71 -8.266 -5.399 -2.188 1.00 0.29 O ATOM 1097 CB TYR A 71 -5.282 -7.077 -1.909 1.00 0.38 C ATOM 1098 CG TYR A 71 -4.632 -5.710 -1.894 1.00 0.38 C ATOM 1099 CD1 TYR A 71 -5.331 -4.601 -1.441 1.00 0.38 C ATOM 1100 CD2 TYR A 71 -3.326 -5.524 -2.339 1.00 0.51 C ATOM 1101 CE1 TYR A 71 -4.749 -3.351 -1.430 1.00 0.42 C ATOM 1102 CE2 TYR A 71 -2.741 -4.279 -2.331 1.00 0.62 C ATOM 1103 CZ TYR A 71 -3.424 -3.211 -1.855 1.00 0.54 C ATOM 1104 OH TYR A 71 -2.876 -1.955 -1.894 1.00 0.68 O ATOM 0 H TYR A 71 -6.381 -5.535 -3.908 1.00 0.35 H new ATOM 0 HA TYR A 71 -6.945 -8.170 -2.671 1.00 0.36 H new ATOM 0 HB2 TYR A 71 -5.380 -7.430 -0.882 1.00 0.38 H new ATOM 0 HB3 TYR A 71 -4.620 -7.774 -2.424 1.00 0.38 H new ATOM 0 HD1 TYR A 71 -6.346 -4.718 -1.092 1.00 0.38 H new ATOM 0 HD2 TYR A 71 -2.762 -6.373 -2.697 1.00 0.51 H new ATOM 0 HE1 TYR A 71 -5.310 -2.490 -1.097 1.00 0.42 H new ATOM 0 HE2 TYR A 71 -1.736 -4.153 -2.705 1.00 0.62 H new ATOM 0 HH TYR A 71 -2.322 -1.865 -2.697 1.00 0.68 H new ATOM 1114 N ARG A 72 -7.914 -6.847 -0.520 1.00 0.36 N ATOM 1115 CA ARG A 72 -8.914 -6.221 0.325 1.00 0.33 C ATOM 1116 C ARG A 72 -8.226 -5.347 1.365 1.00 0.27 C ATOM 1117 O ARG A 72 -7.657 -5.865 2.318 1.00 0.28 O ATOM 1118 CB ARG A 72 -9.771 -7.271 1.045 1.00 0.43 C ATOM 1119 CG ARG A 72 -10.369 -8.351 0.144 1.00 0.65 C ATOM 1120 CD ARG A 72 -9.340 -9.425 -0.192 1.00 1.06 C ATOM 1121 NE ARG A 72 -9.884 -10.553 -0.953 1.00 1.10 N ATOM 1122 CZ ARG A 72 -10.840 -11.378 -0.520 1.00 1.51 C ATOM 1123 NH1 ARG A 72 -11.403 -11.193 0.669 1.00 2.43 N ATOM 1124 NH2 ARG A 72 -11.230 -12.390 -1.284 1.00 1.52 N ATOM 0 H ARG A 72 -7.427 -7.638 -0.099 1.00 0.36 H new ATOM 0 HA ARG A 72 -9.563 -5.618 -0.310 1.00 0.33 H new ATOM 0 HB2 ARG A 72 -9.161 -7.754 1.808 1.00 0.43 H new ATOM 0 HB3 ARG A 72 -10.584 -6.761 1.562 1.00 0.43 H new ATOM 0 HG2 ARG A 72 -11.226 -8.808 0.640 1.00 0.65 H new ATOM 0 HG3 ARG A 72 -10.738 -7.897 -0.776 1.00 0.65 H new ATOM 0 HD2 ARG A 72 -8.530 -8.972 -0.763 1.00 1.06 H new ATOM 0 HD3 ARG A 72 -8.906 -9.801 0.735 1.00 1.06 H new ATOM 0 HE ARG A 72 -9.503 -10.721 -1.884 1.00 1.10 H new ATOM 0 HH11 ARG A 72 -11.105 -10.416 1.259 1.00 2.43 H new ATOM 0 HH12 ARG A 72 -12.133 -11.828 0.992 1.00 2.43 H new ATOM 0 HH21 ARG A 72 -10.800 -12.535 -2.197 1.00 1.52 H new ATOM 0 HH22 ARG A 72 -11.960 -13.023 -0.958 1.00 1.52 H new ATOM 1138 N MET A 73 -8.279 -4.030 1.212 1.00 0.26 N ATOM 1139 CA MET A 73 -7.646 -3.173 2.208 1.00 0.26 C ATOM 1140 C MET A 73 -8.679 -2.592 3.155 1.00 0.23 C ATOM 1141 O MET A 73 -9.780 -2.234 2.745 1.00 0.24 O ATOM 1142 CB MET A 73 -6.816 -2.048 1.595 1.00 0.30 C ATOM 1143 CG MET A 73 -6.218 -1.140 2.661 1.00 0.35 C ATOM 1144 SD MET A 73 -4.826 -0.163 2.078 1.00 0.77 S ATOM 1145 CE MET A 73 -4.541 0.850 3.527 1.00 0.60 C ATOM 0 H MET A 73 -8.735 -3.545 0.439 1.00 0.26 H new ATOM 0 HA MET A 73 -6.959 -3.813 2.761 1.00 0.26 H new ATOM 0 HB2 MET A 73 -6.016 -2.475 0.991 1.00 0.30 H new ATOM 0 HB3 MET A 73 -7.442 -1.458 0.925 1.00 0.30 H new ATOM 0 HG2 MET A 73 -6.993 -0.468 3.030 1.00 0.35 H new ATOM 0 HG3 MET A 73 -5.895 -1.749 3.505 1.00 0.35 H new ATOM 0 HE1 MET A 73 -3.789 1.606 3.300 1.00 0.60 H new ATOM 0 HE2 MET A 73 -5.471 1.339 3.818 1.00 0.60 H new ATOM 0 HE3 MET A 73 -4.189 0.223 4.346 1.00 0.60 H new ATOM 1155 N LEU A 74 -8.308 -2.520 4.423 1.00 0.22 N ATOM 1156 CA LEU A 74 -9.185 -2.006 5.456 1.00 0.25 C ATOM 1157 C LEU A 74 -9.361 -0.500 5.329 1.00 0.33 C ATOM 1158 O LEU A 74 -8.390 0.258 5.385 1.00 0.74 O ATOM 1159 CB LEU A 74 -8.620 -2.340 6.831 1.00 0.24 C ATOM 1160 CG LEU A 74 -9.589 -2.177 7.994 1.00 0.30 C ATOM 1161 CD1 LEU A 74 -10.009 -3.544 8.493 1.00 0.34 C ATOM 1162 CD2 LEU A 74 -8.962 -1.365 9.113 1.00 0.42 C ATOM 0 H LEU A 74 -7.393 -2.816 4.762 1.00 0.22 H new ATOM 0 HA LEU A 74 -10.160 -2.478 5.336 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -8.265 -3.370 6.818 1.00 0.24 H new ATOM 0 HB3 LEU A 74 -7.752 -1.706 7.012 1.00 0.24 H new ATOM 0 HG LEU A 74 -10.470 -1.636 7.649 1.00 0.30 H new ATOM 0 HD11 LEU A 74 -10.703 -3.430 9.326 1.00 0.34 H new ATOM 0 HD12 LEU A 74 -10.497 -4.092 7.687 1.00 0.34 H new ATOM 0 HD13 LEU A 74 -9.130 -4.096 8.826 1.00 0.34 H new ATOM 0 HD21 LEU A 74 -9.674 -1.263 9.932 1.00 0.42 H new ATOM 0 HD22 LEU A 74 -8.066 -1.872 9.472 1.00 0.42 H new ATOM 0 HD23 LEU A 74 -8.695 -0.377 8.739 1.00 0.42 H new ATOM 1174 N ALA A 75 -10.596 -0.085 5.142 1.00 0.27 N ATOM 1175 CA ALA A 75 -10.937 1.324 5.114 1.00 0.26 C ATOM 1176 C ALA A 75 -11.108 1.860 6.521 1.00 0.31 C ATOM 1177 O ALA A 75 -11.257 1.099 7.474 1.00 0.60 O ATOM 1178 CB ALA A 75 -12.200 1.544 4.295 1.00 0.29 C ATOM 0 H ALA A 75 -11.390 -0.711 5.006 1.00 0.27 H new ATOM 0 HA ALA A 75 -10.120 1.870 4.642 1.00 0.26 H new ATOM 0 HB1 ALA A 75 -12.445 2.606 4.282 1.00 0.29 H new ATOM 0 HB2 ALA A 75 -12.037 1.197 3.275 1.00 0.29 H new ATOM 0 HB3 ALA A 75 -13.024 0.987 4.741 1.00 0.29 H new ATOM 1184 N LYS A 76 -11.090 3.179 6.614 1.00 0.28 N ATOM 1185 CA LYS A 76 -11.120 3.925 7.872 1.00 0.30 C ATOM 1186 C LYS A 76 -12.064 3.367 8.943 1.00 0.33 C ATOM 1187 O LYS A 76 -11.770 3.446 10.131 1.00 0.42 O ATOM 1188 CB LYS A 76 -11.538 5.350 7.537 1.00 0.39 C ATOM 1189 CG LYS A 76 -11.320 6.334 8.659 1.00 0.41 C ATOM 1190 CD LYS A 76 -11.752 7.736 8.254 1.00 0.47 C ATOM 1191 CE LYS A 76 -13.255 7.818 8.005 1.00 0.53 C ATOM 1192 NZ LYS A 76 -14.036 7.669 9.261 1.00 1.23 N ATOM 0 H LYS A 76 -11.053 3.784 5.794 1.00 0.28 H new ATOM 0 HA LYS A 76 -10.124 3.854 8.309 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -10.982 5.684 6.661 1.00 0.39 H new ATOM 0 HB3 LYS A 76 -12.593 5.353 7.265 1.00 0.39 H new ATOM 0 HG2 LYS A 76 -11.882 6.017 9.538 1.00 0.41 H new ATOM 0 HG3 LYS A 76 -10.267 6.342 8.940 1.00 0.41 H new ATOM 0 HD2 LYS A 76 -11.475 8.442 9.037 1.00 0.47 H new ATOM 0 HD3 LYS A 76 -11.218 8.034 7.352 1.00 0.47 H new ATOM 0 HE2 LYS A 76 -13.494 8.775 7.541 1.00 0.53 H new ATOM 0 HE3 LYS A 76 -13.549 7.040 7.301 1.00 0.53 H new ATOM 0 HZ1 LYS A 76 -15.040 7.865 9.071 1.00 1.23 H new ATOM 0 HZ2 LYS A 76 -13.935 6.698 9.620 1.00 1.23 H new ATOM 0 HZ3 LYS A 76 -13.681 8.340 9.972 1.00 1.23 H new ATOM 1206 N HIS A 77 -13.180 2.806 8.533 1.00 0.44 N ATOM 1207 CA HIS A 77 -14.206 2.374 9.480 1.00 0.62 C ATOM 1208 C HIS A 77 -14.262 0.852 9.574 1.00 0.69 C ATOM 1209 O HIS A 77 -15.296 0.274 9.906 1.00 0.89 O ATOM 1210 CB HIS A 77 -15.575 2.957 9.093 1.00 0.77 C ATOM 1211 CG HIS A 77 -15.729 3.234 7.626 1.00 0.68 C ATOM 1212 ND1 HIS A 77 -16.410 2.413 6.764 1.00 0.74 N ATOM 1213 CD2 HIS A 77 -15.252 4.250 6.870 1.00 0.67 C ATOM 1214 CE1 HIS A 77 -16.343 2.912 5.544 1.00 0.70 C ATOM 1215 NE2 HIS A 77 -15.650 4.026 5.581 1.00 0.69 N ATOM 0 H HIS A 77 -13.408 2.635 7.554 1.00 0.44 H new ATOM 0 HA HIS A 77 -13.941 2.754 10.467 1.00 0.62 H new ATOM 0 HB2 HIS A 77 -16.355 2.263 9.405 1.00 0.77 H new ATOM 0 HB3 HIS A 77 -15.733 3.883 9.646 1.00 0.77 H new ATOM 0 HD2 HIS A 77 -14.664 5.085 7.221 1.00 0.67 H new ATOM 0 HE1 HIS A 77 -16.786 2.476 4.661 1.00 0.70 H new ATOM 0 HE2 HIS A 77 -15.443 4.625 4.782 1.00 0.69 H new ATOM 1224 N GLY A 78 -13.144 0.210 9.258 1.00 0.58 N ATOM 1225 CA GLY A 78 -13.052 -1.232 9.390 1.00 0.72 C ATOM 1226 C GLY A 78 -13.578 -1.927 8.156 1.00 0.76 C ATOM 1227 O GLY A 78 -13.785 -3.140 8.145 1.00 1.31 O ATOM 0 H GLY A 78 -12.298 0.663 8.912 1.00 0.58 H new ATOM 0 HA2 GLY A 78 -12.014 -1.519 9.558 1.00 0.72 H new ATOM 0 HA3 GLY A 78 -13.618 -1.557 10.263 1.00 0.72 H new ATOM 1231 N GLY A 79 -13.788 -1.129 7.120 1.00 0.37 N ATOM 1232 CA GLY A 79 -14.347 -1.614 5.879 1.00 0.37 C ATOM 1233 C GLY A 79 -13.292 -2.242 5.004 1.00 0.28 C ATOM 1234 O GLY A 79 -12.142 -2.356 5.413 1.00 0.29 O ATOM 0 H GLY A 79 -13.575 -0.132 7.121 1.00 0.37 H new ATOM 0 HA2 GLY A 79 -15.127 -2.345 6.092 1.00 0.37 H new ATOM 0 HA3 GLY A 79 -14.820 -0.790 5.345 1.00 0.37 H new ATOM 1238 N TYR A 80 -13.661 -2.640 3.799 1.00 0.24 N ATOM 1239 CA TYR A 80 -12.704 -3.232 2.883 1.00 0.21 C ATOM 1240 C TYR A 80 -12.919 -2.713 1.474 1.00 0.22 C ATOM 1241 O TYR A 80 -14.038 -2.674 0.978 1.00 0.28 O ATOM 1242 CB TYR A 80 -12.781 -4.763 2.913 1.00 0.26 C ATOM 1243 CG TYR A 80 -12.284 -5.349 4.212 1.00 0.26 C ATOM 1244 CD1 TYR A 80 -10.922 -5.435 4.471 1.00 0.23 C ATOM 1245 CD2 TYR A 80 -13.168 -5.789 5.186 1.00 0.34 C ATOM 1246 CE1 TYR A 80 -10.456 -5.949 5.662 1.00 0.26 C ATOM 1247 CE2 TYR A 80 -12.711 -6.299 6.384 1.00 0.37 C ATOM 1248 CZ TYR A 80 -11.354 -6.378 6.618 1.00 0.33 C ATOM 1249 OH TYR A 80 -10.893 -6.878 7.815 1.00 0.38 O ATOM 0 H TYR A 80 -14.611 -2.564 3.434 1.00 0.24 H new ATOM 0 HA TYR A 80 -11.706 -2.941 3.209 1.00 0.21 H new ATOM 0 HB2 TYR A 80 -13.813 -5.073 2.751 1.00 0.26 H new ATOM 0 HB3 TYR A 80 -12.194 -5.168 2.089 1.00 0.26 H new ATOM 0 HD1 TYR A 80 -10.217 -5.094 3.727 1.00 0.23 H new ATOM 0 HD2 TYR A 80 -14.231 -5.732 5.004 1.00 0.34 H new ATOM 0 HE1 TYR A 80 -9.394 -6.016 5.846 1.00 0.26 H new ATOM 0 HE2 TYR A 80 -13.412 -6.634 7.134 1.00 0.37 H new ATOM 0 HH TYR A 80 -11.654 -7.134 8.377 1.00 0.38 H new ATOM 1259 N VAL A 81 -11.842 -2.281 0.858 1.00 0.24 N ATOM 1260 CA VAL A 81 -11.878 -1.811 -0.515 1.00 0.28 C ATOM 1261 C VAL A 81 -10.858 -2.576 -1.348 1.00 0.26 C ATOM 1262 O VAL A 81 -9.829 -3.002 -0.832 1.00 0.26 O ATOM 1263 CB VAL A 81 -11.611 -0.291 -0.603 1.00 0.32 C ATOM 1264 CG1 VAL A 81 -12.865 0.497 -0.244 1.00 0.39 C ATOM 1265 CG2 VAL A 81 -10.467 0.107 0.318 1.00 0.30 C ATOM 0 H VAL A 81 -10.918 -2.244 1.289 1.00 0.24 H new ATOM 0 HA VAL A 81 -12.878 -1.992 -0.909 1.00 0.28 H new ATOM 0 HB VAL A 81 -11.332 -0.057 -1.630 1.00 0.32 H new ATOM 0 HG11 VAL A 81 -12.656 1.565 -0.312 1.00 0.39 H new ATOM 0 HG12 VAL A 81 -13.667 0.240 -0.936 1.00 0.39 H new ATOM 0 HG13 VAL A 81 -13.170 0.251 0.773 1.00 0.39 H new ATOM 0 HG21 VAL A 81 -10.295 1.181 0.241 1.00 0.30 H new ATOM 0 HG22 VAL A 81 -10.723 -0.147 1.347 1.00 0.30 H new ATOM 0 HG23 VAL A 81 -9.563 -0.427 0.027 1.00 0.30 H new ATOM 1275 N TRP A 82 -11.165 -2.796 -2.617 1.00 0.28 N ATOM 1276 CA TRP A 82 -10.262 -3.531 -3.492 1.00 0.29 C ATOM 1277 C TRP A 82 -9.273 -2.616 -4.184 1.00 0.28 C ATOM 1278 O TRP A 82 -9.649 -1.634 -4.828 1.00 0.31 O ATOM 1279 CB TRP A 82 -11.040 -4.334 -4.521 1.00 0.35 C ATOM 1280 CG TRP A 82 -11.763 -5.488 -3.918 1.00 0.37 C ATOM 1281 CD1 TRP A 82 -12.971 -5.462 -3.288 1.00 0.40 C ATOM 1282 CD2 TRP A 82 -11.314 -6.845 -3.875 1.00 0.40 C ATOM 1283 NE1 TRP A 82 -13.305 -6.725 -2.867 1.00 0.44 N ATOM 1284 CE2 TRP A 82 -12.307 -7.588 -3.217 1.00 0.44 C ATOM 1285 CE3 TRP A 82 -10.171 -7.508 -4.334 1.00 0.43 C ATOM 1286 CZ2 TRP A 82 -12.194 -8.957 -3.008 1.00 0.50 C ATOM 1287 CZ3 TRP A 82 -10.061 -8.865 -4.121 1.00 0.49 C ATOM 1288 CH2 TRP A 82 -11.067 -9.575 -3.466 1.00 0.52 C ATOM 0 H TRP A 82 -12.026 -2.479 -3.063 1.00 0.28 H new ATOM 0 HA TRP A 82 -9.696 -4.217 -2.862 1.00 0.29 H new ATOM 0 HB2 TRP A 82 -11.756 -3.681 -5.020 1.00 0.35 H new ATOM 0 HB3 TRP A 82 -10.355 -4.699 -5.286 1.00 0.35 H new ATOM 0 HD1 TRP A 82 -13.576 -4.579 -3.142 1.00 0.40 H new ATOM 0 HE1 TRP A 82 -14.161 -6.978 -2.373 1.00 0.44 H new ATOM 0 HE3 TRP A 82 -9.389 -6.966 -4.846 1.00 0.43 H new ATOM 0 HZ2 TRP A 82 -12.970 -9.512 -2.501 1.00 0.50 H new ATOM 0 HZ3 TRP A 82 -9.181 -9.387 -4.467 1.00 0.49 H new ATOM 0 HH2 TRP A 82 -10.951 -10.639 -3.318 1.00 0.52 H new ATOM 1299 N LEU A 83 -8.004 -2.967 -4.055 1.00 0.28 N ATOM 1300 CA LEU A 83 -6.921 -2.171 -4.606 1.00 0.28 C ATOM 1301 C LEU A 83 -5.880 -3.047 -5.272 1.00 0.29 C ATOM 1302 O LEU A 83 -5.563 -4.124 -4.779 1.00 0.36 O ATOM 1303 CB LEU A 83 -6.234 -1.350 -3.507 1.00 0.28 C ATOM 1304 CG LEU A 83 -7.089 -0.341 -2.740 1.00 0.29 C ATOM 1305 CD1 LEU A 83 -7.729 -0.990 -1.533 1.00 0.29 C ATOM 1306 CD2 LEU A 83 -6.239 0.842 -2.307 1.00 0.40 C ATOM 0 H LEU A 83 -7.697 -3.809 -3.567 1.00 0.28 H new ATOM 0 HA LEU A 83 -7.361 -1.503 -5.347 1.00 0.28 H new ATOM 0 HB2 LEU A 83 -5.806 -2.046 -2.785 1.00 0.28 H new ATOM 0 HB3 LEU A 83 -5.403 -0.810 -3.961 1.00 0.28 H new ATOM 0 HG LEU A 83 -7.880 0.012 -3.401 1.00 0.29 H new ATOM 0 HD11 LEU A 83 -8.333 -0.254 -1.002 1.00 0.29 H new ATOM 0 HD12 LEU A 83 -8.364 -1.815 -1.857 1.00 0.29 H new ATOM 0 HD13 LEU A 83 -6.952 -1.369 -0.869 1.00 0.29 H new ATOM 0 HD21 LEU A 83 -6.858 1.554 -1.762 1.00 0.40 H new ATOM 0 HD22 LEU A 83 -5.432 0.494 -1.662 1.00 0.40 H new ATOM 0 HD23 LEU A 83 -5.816 1.328 -3.187 1.00 0.40 H new ATOM 1318 N GLU A 84 -5.355 -2.570 -6.388 1.00 0.32 N ATOM 1319 CA GLU A 84 -4.287 -3.260 -7.082 1.00 0.34 C ATOM 1320 C GLU A 84 -2.982 -2.515 -6.842 1.00 0.35 C ATOM 1321 O GLU A 84 -2.982 -1.287 -6.757 1.00 0.39 O ATOM 1322 CB GLU A 84 -4.591 -3.336 -8.577 1.00 0.41 C ATOM 1323 CG GLU A 84 -4.193 -4.659 -9.190 1.00 0.59 C ATOM 1324 CD GLU A 84 -4.395 -4.702 -10.686 1.00 0.49 C ATOM 1325 OE1 GLU A 84 -3.573 -4.118 -11.416 1.00 1.23 O ATOM 1326 OE2 GLU A 84 -5.398 -5.296 -11.135 1.00 0.88 O ATOM 0 H GLU A 84 -5.655 -1.702 -6.833 1.00 0.32 H new ATOM 0 HA GLU A 84 -4.200 -4.278 -6.702 1.00 0.34 H new ATOM 0 HB2 GLU A 84 -5.657 -3.174 -8.735 1.00 0.41 H new ATOM 0 HB3 GLU A 84 -4.067 -2.530 -9.091 1.00 0.41 H new ATOM 0 HG2 GLU A 84 -3.145 -4.857 -8.965 1.00 0.59 H new ATOM 0 HG3 GLU A 84 -4.774 -5.457 -8.728 1.00 0.59 H new ATOM 1333 N THR A 85 -1.879 -3.236 -6.720 1.00 0.36 N ATOM 1334 CA THR A 85 -0.610 -2.605 -6.389 1.00 0.37 C ATOM 1335 C THR A 85 0.490 -2.944 -7.368 1.00 0.32 C ATOM 1336 O THR A 85 0.828 -4.108 -7.596 1.00 0.43 O ATOM 1337 CB THR A 85 -0.153 -2.970 -4.963 1.00 0.52 C ATOM 1338 OG1 THR A 85 -1.141 -2.558 -4.020 1.00 0.68 O ATOM 1339 CG2 THR A 85 1.177 -2.310 -4.620 1.00 0.60 C ATOM 0 H THR A 85 -1.835 -4.248 -6.843 1.00 0.36 H new ATOM 0 HA THR A 85 -0.793 -1.532 -6.449 1.00 0.37 H new ATOM 0 HB THR A 85 -0.022 -4.051 -4.919 1.00 0.52 H new ATOM 0 HG1 THR A 85 -1.397 -1.629 -4.199 1.00 0.68 H new ATOM 0 HG21 THR A 85 1.471 -2.588 -3.608 1.00 0.60 H new ATOM 0 HG22 THR A 85 1.940 -2.642 -5.324 1.00 0.60 H new ATOM 0 HG23 THR A 85 1.073 -1.227 -4.683 1.00 0.60 H new ATOM 1347 N GLN A 86 1.031 -1.895 -7.942 1.00 0.29 N ATOM 1348 CA GLN A 86 2.247 -1.977 -8.701 1.00 0.35 C ATOM 1349 C GLN A 86 3.394 -1.523 -7.799 1.00 0.28 C ATOM 1350 O GLN A 86 3.467 -0.351 -7.426 1.00 0.30 O ATOM 1351 CB GLN A 86 2.151 -1.090 -9.937 1.00 0.50 C ATOM 1352 CG GLN A 86 3.381 -1.175 -10.797 1.00 0.70 C ATOM 1353 CD GLN A 86 3.460 -0.075 -11.831 1.00 1.06 C ATOM 1354 OE1 GLN A 86 2.968 -0.215 -12.951 1.00 1.95 O ATOM 1355 NE2 GLN A 86 4.096 1.023 -11.467 1.00 1.15 N ATOM 0 H GLN A 86 0.634 -0.957 -7.892 1.00 0.29 H new ATOM 0 HA GLN A 86 2.421 -2.999 -9.037 1.00 0.35 H new ATOM 0 HB2 GLN A 86 1.280 -1.381 -10.523 1.00 0.50 H new ATOM 0 HB3 GLN A 86 1.997 -0.056 -9.628 1.00 0.50 H new ATOM 0 HG2 GLN A 86 4.265 -1.132 -10.161 1.00 0.70 H new ATOM 0 HG3 GLN A 86 3.398 -2.141 -11.301 1.00 0.70 H new ATOM 0 HE21 GLN A 86 4.489 1.098 -10.529 1.00 1.15 H new ATOM 0 HE22 GLN A 86 4.195 1.797 -12.124 1.00 1.15 H new ATOM 1364 N GLY A 87 4.267 -2.448 -7.428 1.00 0.27 N ATOM 1365 CA GLY A 87 5.262 -2.156 -6.418 1.00 0.26 C ATOM 1366 C GLY A 87 6.672 -2.051 -6.962 1.00 0.24 C ATOM 1367 O GLY A 87 7.021 -2.673 -7.964 1.00 0.27 O ATOM 0 H GLY A 87 4.304 -3.394 -7.808 1.00 0.27 H new ATOM 0 HA2 GLY A 87 5.002 -1.219 -5.925 1.00 0.26 H new ATOM 0 HA3 GLY A 87 5.233 -2.936 -5.657 1.00 0.26 H new ATOM 1371 N THR A 88 7.477 -1.251 -6.288 1.00 0.23 N ATOM 1372 CA THR A 88 8.864 -1.023 -6.669 1.00 0.22 C ATOM 1373 C THR A 88 9.685 -0.642 -5.436 1.00 0.25 C ATOM 1374 O THR A 88 9.177 0.032 -4.548 1.00 0.36 O ATOM 1375 CB THR A 88 8.966 0.101 -7.728 1.00 0.23 C ATOM 1376 OG1 THR A 88 8.086 -0.178 -8.827 1.00 0.25 O ATOM 1377 CG2 THR A 88 10.389 0.245 -8.248 1.00 0.24 C ATOM 0 H THR A 88 7.188 -0.737 -5.456 1.00 0.23 H new ATOM 0 HA THR A 88 9.257 -1.944 -7.100 1.00 0.22 H new ATOM 0 HB THR A 88 8.676 1.036 -7.249 1.00 0.23 H new ATOM 0 HG1 THR A 88 8.155 0.539 -9.492 1.00 0.25 H new ATOM 0 HG21 THR A 88 10.426 1.043 -8.990 1.00 0.24 H new ATOM 0 HG22 THR A 88 11.056 0.488 -7.421 1.00 0.24 H new ATOM 0 HG23 THR A 88 10.705 -0.692 -8.706 1.00 0.24 H new ATOM 1385 N VAL A 89 10.929 -1.093 -5.352 1.00 0.28 N ATOM 1386 CA VAL A 89 11.810 -0.640 -4.279 1.00 0.31 C ATOM 1387 C VAL A 89 12.819 0.367 -4.796 1.00 0.30 C ATOM 1388 O VAL A 89 13.582 0.088 -5.720 1.00 0.34 O ATOM 1389 CB VAL A 89 12.565 -1.794 -3.581 1.00 0.42 C ATOM 1390 CG1 VAL A 89 13.649 -1.252 -2.670 1.00 0.36 C ATOM 1391 CG2 VAL A 89 11.617 -2.641 -2.769 1.00 0.56 C ATOM 0 H VAL A 89 11.348 -1.760 -6.000 1.00 0.28 H new ATOM 0 HA VAL A 89 11.158 -0.175 -3.540 1.00 0.31 H new ATOM 0 HB VAL A 89 13.020 -2.408 -4.359 1.00 0.42 H new ATOM 0 HG11 VAL A 89 14.168 -2.081 -2.189 1.00 0.36 H new ATOM 0 HG12 VAL A 89 14.360 -0.670 -3.257 1.00 0.36 H new ATOM 0 HG13 VAL A 89 13.199 -0.614 -1.909 1.00 0.36 H new ATOM 0 HG21 VAL A 89 12.171 -3.447 -2.287 1.00 0.56 H new ATOM 0 HG22 VAL A 89 11.138 -2.024 -2.008 1.00 0.56 H new ATOM 0 HG23 VAL A 89 10.856 -3.065 -3.424 1.00 0.56 H new ATOM 1401 N ILE A 90 12.788 1.543 -4.209 1.00 0.27 N ATOM 1402 CA ILE A 90 13.783 2.547 -4.488 1.00 0.30 C ATOM 1403 C ILE A 90 14.945 2.379 -3.512 1.00 0.34 C ATOM 1404 O ILE A 90 14.769 2.420 -2.294 1.00 0.41 O ATOM 1405 CB ILE A 90 13.176 3.973 -4.443 1.00 0.32 C ATOM 1406 CG1 ILE A 90 14.096 4.977 -5.120 1.00 0.71 C ATOM 1407 CG2 ILE A 90 12.882 4.422 -3.033 1.00 0.73 C ATOM 1408 CD1 ILE A 90 13.405 6.274 -5.474 1.00 0.78 C ATOM 0 H ILE A 90 12.079 1.826 -3.532 1.00 0.27 H new ATOM 0 HA ILE A 90 14.161 2.414 -5.502 1.00 0.30 H new ATOM 0 HB ILE A 90 12.232 3.928 -4.985 1.00 0.32 H new ATOM 0 HG12 ILE A 90 14.938 5.190 -4.462 1.00 0.71 H new ATOM 0 HG13 ILE A 90 14.505 4.531 -6.027 1.00 0.71 H new ATOM 0 HG21 ILE A 90 12.458 5.426 -3.052 1.00 0.73 H new ATOM 0 HG22 ILE A 90 12.170 3.736 -2.574 1.00 0.73 H new ATOM 0 HG23 ILE A 90 13.805 4.428 -2.453 1.00 0.73 H new ATOM 0 HD11 ILE A 90 14.116 6.946 -5.954 1.00 0.78 H new ATOM 0 HD12 ILE A 90 12.580 6.072 -6.157 1.00 0.78 H new ATOM 0 HD13 ILE A 90 13.020 6.740 -4.567 1.00 0.78 H new ATOM 1420 N TYR A 91 16.110 2.072 -4.048 1.00 0.36 N ATOM 1421 CA TYR A 91 17.283 1.864 -3.220 1.00 0.42 C ATOM 1422 C TYR A 91 18.162 3.100 -3.173 1.00 0.48 C ATOM 1423 O TYR A 91 18.127 3.950 -4.064 1.00 0.58 O ATOM 1424 CB TYR A 91 18.129 0.694 -3.703 1.00 0.51 C ATOM 1425 CG TYR A 91 17.405 -0.625 -3.841 1.00 0.43 C ATOM 1426 CD1 TYR A 91 16.772 -0.975 -5.028 1.00 0.45 C ATOM 1427 CD2 TYR A 91 17.380 -1.531 -2.790 1.00 0.55 C ATOM 1428 CE1 TYR A 91 16.131 -2.192 -5.160 1.00 0.61 C ATOM 1429 CE2 TYR A 91 16.745 -2.752 -2.916 1.00 0.76 C ATOM 1430 CZ TYR A 91 16.120 -3.077 -4.103 1.00 0.79 C ATOM 1431 OH TYR A 91 15.482 -4.291 -4.232 1.00 1.06 O ATOM 0 H TYR A 91 16.270 1.961 -5.049 1.00 0.36 H new ATOM 0 HA TYR A 91 16.903 1.644 -2.222 1.00 0.42 H new ATOM 0 HB2 TYR A 91 18.558 0.955 -4.670 1.00 0.51 H new ATOM 0 HB3 TYR A 91 18.960 0.560 -3.011 1.00 0.51 H new ATOM 0 HD1 TYR A 91 16.781 -0.286 -5.859 1.00 0.45 H new ATOM 0 HD2 TYR A 91 17.865 -1.278 -1.859 1.00 0.55 H new ATOM 0 HE1 TYR A 91 15.641 -2.449 -6.087 1.00 0.61 H new ATOM 0 HE2 TYR A 91 16.738 -3.448 -2.090 1.00 0.76 H new ATOM 0 HH TYR A 91 15.568 -4.796 -3.397 1.00 1.06 H new ATOM 1441 N ASN A 92 18.934 3.193 -2.107 1.00 0.57 N ATOM 1442 CA ASN A 92 19.920 4.250 -1.951 1.00 0.71 C ATOM 1443 C ASN A 92 21.096 3.996 -2.882 1.00 0.69 C ATOM 1444 O ASN A 92 21.585 2.886 -2.949 1.00 0.63 O ATOM 1445 CB ASN A 92 20.427 4.260 -0.514 1.00 0.83 C ATOM 1446 CG ASN A 92 20.693 5.658 0.010 1.00 1.09 C ATOM 1447 OD1 ASN A 92 21.593 5.863 0.818 1.00 1.77 O ATOM 1448 ND2 ASN A 92 19.911 6.626 -0.440 1.00 1.50 N ATOM 0 H ASN A 92 18.897 2.540 -1.325 1.00 0.57 H new ATOM 0 HA ASN A 92 19.459 5.208 -2.192 1.00 0.71 H new ATOM 0 HB2 ASN A 92 19.694 3.771 0.128 1.00 0.83 H new ATOM 0 HB3 ASN A 92 21.345 3.675 -0.454 1.00 0.83 H new ATOM 0 HD21 ASN A 92 20.046 7.583 -0.115 1.00 1.50 H new ATOM 0 HD22 ASN A 92 19.173 6.415 -1.112 1.00 1.50 H new ATOM 1455 N PRO A 93 21.579 4.997 -3.613 1.00 0.84 N ATOM 1456 CA PRO A 93 22.717 4.800 -4.511 1.00 0.91 C ATOM 1457 C PRO A 93 24.043 4.609 -3.768 1.00 0.96 C ATOM 1458 O PRO A 93 24.855 3.765 -4.139 1.00 1.00 O ATOM 1459 CB PRO A 93 22.744 6.080 -5.344 1.00 1.13 C ATOM 1460 CG PRO A 93 22.033 7.108 -4.523 1.00 1.23 C ATOM 1461 CD PRO A 93 21.042 6.367 -3.666 1.00 1.00 C ATOM 0 HA PRO A 93 22.604 3.892 -5.104 1.00 0.91 H new ATOM 0 HB2 PRO A 93 23.768 6.388 -5.557 1.00 1.13 H new ATOM 0 HB3 PRO A 93 22.249 5.934 -6.304 1.00 1.13 H new ATOM 0 HG2 PRO A 93 22.738 7.666 -3.906 1.00 1.23 H new ATOM 0 HG3 PRO A 93 21.527 7.832 -5.162 1.00 1.23 H new ATOM 0 HD2 PRO A 93 20.967 6.806 -2.671 1.00 1.00 H new ATOM 0 HD3 PRO A 93 20.043 6.388 -4.100 1.00 1.00 H new ATOM 1469 N ARG A 94 24.246 5.378 -2.706 1.00 1.03 N ATOM 1470 CA ARG A 94 25.527 5.393 -1.998 1.00 1.13 C ATOM 1471 C ARG A 94 25.558 4.373 -0.862 1.00 1.04 C ATOM 1472 O ARG A 94 26.561 4.228 -0.171 1.00 1.16 O ATOM 1473 CB ARG A 94 25.784 6.787 -1.436 1.00 1.37 C ATOM 1474 CG ARG A 94 25.623 7.893 -2.463 1.00 1.93 C ATOM 1475 CD ARG A 94 25.731 9.263 -1.825 1.00 2.43 C ATOM 1476 NE ARG A 94 24.810 9.419 -0.699 1.00 3.09 N ATOM 1477 CZ ARG A 94 23.779 10.262 -0.684 1.00 3.87 C ATOM 1478 NH1 ARG A 94 23.525 11.041 -1.730 1.00 4.14 N ATOM 1479 NH2 ARG A 94 23.004 10.333 0.387 1.00 4.77 N ATOM 0 H ARG A 94 23.541 6.002 -2.313 1.00 1.03 H new ATOM 0 HA ARG A 94 26.306 5.125 -2.712 1.00 1.13 H new ATOM 0 HB2 ARG A 94 25.099 6.968 -0.608 1.00 1.37 H new ATOM 0 HB3 ARG A 94 26.794 6.825 -1.028 1.00 1.37 H new ATOM 0 HG2 ARG A 94 26.386 7.789 -3.234 1.00 1.93 H new ATOM 0 HG3 ARG A 94 24.656 7.795 -2.956 1.00 1.93 H new ATOM 0 HD2 ARG A 94 26.753 9.423 -1.482 1.00 2.43 H new ATOM 0 HD3 ARG A 94 25.522 10.028 -2.573 1.00 2.43 H new ATOM 0 HE ARG A 94 24.968 8.844 0.129 1.00 3.09 H new ATOM 0 HH11 ARG A 94 24.122 10.997 -2.556 1.00 4.14 H new ATOM 0 HH12 ARG A 94 22.733 11.683 -1.707 1.00 4.14 H new ATOM 0 HH21 ARG A 94 23.198 9.743 1.197 1.00 4.77 H new ATOM 0 HH22 ARG A 94 22.213 10.977 0.403 1.00 4.77 H new ATOM 1493 N ASN A 95 24.462 3.654 -0.695 1.00 0.99 N ATOM 1494 CA ASN A 95 24.310 2.755 0.456 1.00 1.00 C ATOM 1495 C ASN A 95 23.569 1.478 0.064 1.00 0.85 C ATOM 1496 O ASN A 95 23.794 0.415 0.638 1.00 0.92 O ATOM 1497 CB ASN A 95 23.562 3.477 1.583 1.00 1.15 C ATOM 1498 CG ASN A 95 23.856 2.922 2.970 1.00 1.58 C ATOM 1499 OD1 ASN A 95 23.836 3.659 3.954 1.00 2.23 O ATOM 1500 ND2 ASN A 95 24.123 1.629 3.070 1.00 1.99 N ATOM 0 H ASN A 95 23.665 3.668 -1.331 1.00 0.99 H new ATOM 0 HA ASN A 95 25.303 2.473 0.805 1.00 1.00 H new ATOM 0 HB2 ASN A 95 23.825 4.535 1.562 1.00 1.15 H new ATOM 0 HB3 ASN A 95 22.490 3.411 1.395 1.00 1.15 H new ATOM 0 HD21 ASN A 95 24.320 1.218 3.983 1.00 1.99 H new ATOM 0 HD22 ASN A 95 24.132 1.044 2.234 1.00 1.99 H new ATOM 1507 N LEU A 96 22.694 1.611 -0.925 1.00 0.72 N ATOM 1508 CA LEU A 96 21.867 0.521 -1.432 1.00 0.63 C ATOM 1509 C LEU A 96 21.093 -0.209 -0.345 1.00 0.64 C ATOM 1510 O LEU A 96 20.865 -1.416 -0.423 1.00 0.67 O ATOM 1511 CB LEU A 96 22.705 -0.439 -2.268 1.00 0.74 C ATOM 1512 CG LEU A 96 23.180 0.141 -3.605 1.00 0.86 C ATOM 1513 CD1 LEU A 96 24.229 -0.745 -4.249 1.00 1.22 C ATOM 1514 CD2 LEU A 96 22.001 0.329 -4.548 1.00 1.76 C ATOM 0 H LEU A 96 22.536 2.496 -1.407 1.00 0.72 H new ATOM 0 HA LEU A 96 21.109 0.973 -2.072 1.00 0.63 H new ATOM 0 HB2 LEU A 96 23.576 -0.743 -1.687 1.00 0.74 H new ATOM 0 HB3 LEU A 96 22.121 -1.339 -2.462 1.00 0.74 H new ATOM 0 HG LEU A 96 23.635 1.111 -3.406 1.00 0.86 H new ATOM 0 HD11 LEU A 96 24.545 -0.306 -5.195 1.00 1.22 H new ATOM 0 HD12 LEU A 96 25.089 -0.833 -3.585 1.00 1.22 H new ATOM 0 HD13 LEU A 96 23.808 -1.734 -4.431 1.00 1.22 H new ATOM 0 HD21 LEU A 96 22.353 0.742 -5.493 1.00 1.76 H new ATOM 0 HD22 LEU A 96 21.522 -0.633 -4.728 1.00 1.76 H new ATOM 0 HD23 LEU A 96 21.282 1.014 -4.099 1.00 1.76 H new ATOM 1526 N GLN A 97 20.681 0.536 0.661 1.00 0.71 N ATOM 1527 CA GLN A 97 19.672 0.066 1.586 1.00 0.76 C ATOM 1528 C GLN A 97 18.310 0.232 0.925 1.00 0.64 C ATOM 1529 O GLN A 97 18.198 0.972 -0.060 1.00 0.61 O ATOM 1530 CB GLN A 97 19.718 0.884 2.874 1.00 0.94 C ATOM 1531 CG GLN A 97 20.915 0.597 3.755 1.00 1.21 C ATOM 1532 CD GLN A 97 21.057 1.621 4.853 1.00 2.02 C ATOM 1533 OE1 GLN A 97 21.481 1.308 5.966 1.00 2.29 O ATOM 1534 NE2 GLN A 97 20.731 2.863 4.534 1.00 2.81 N ATOM 0 H GLN A 97 21.032 1.473 0.858 1.00 0.71 H new ATOM 0 HA GLN A 97 19.852 -0.980 1.833 1.00 0.76 H new ATOM 0 HB2 GLN A 97 19.717 1.943 2.617 1.00 0.94 H new ATOM 0 HB3 GLN A 97 18.809 0.693 3.444 1.00 0.94 H new ATOM 0 HG2 GLN A 97 20.814 -0.396 4.194 1.00 1.21 H new ATOM 0 HG3 GLN A 97 21.820 0.587 3.148 1.00 1.21 H new ATOM 0 HE21 GLN A 97 20.384 3.075 3.599 1.00 2.81 H new ATOM 0 HE22 GLN A 97 20.827 3.609 5.223 1.00 2.81 H new ATOM 1543 N PRO A 98 17.259 -0.433 1.427 1.00 0.62 N ATOM 1544 CA PRO A 98 15.907 -0.170 0.961 1.00 0.55 C ATOM 1545 C PRO A 98 15.488 1.226 1.366 1.00 0.55 C ATOM 1546 O PRO A 98 15.042 1.452 2.492 1.00 0.62 O ATOM 1547 CB PRO A 98 15.034 -1.226 1.653 1.00 0.60 C ATOM 1548 CG PRO A 98 15.976 -2.179 2.318 1.00 0.62 C ATOM 1549 CD PRO A 98 17.297 -1.469 2.471 1.00 0.72 C ATOM 0 HA PRO A 98 15.819 -0.226 -0.124 1.00 0.55 H new ATOM 0 HB2 PRO A 98 14.369 -0.764 2.383 1.00 0.60 H new ATOM 0 HB3 PRO A 98 14.403 -1.743 0.930 1.00 0.60 H new ATOM 0 HG2 PRO A 98 15.590 -2.486 3.290 1.00 0.62 H new ATOM 0 HG3 PRO A 98 16.093 -3.084 1.721 1.00 0.62 H new ATOM 0 HD2 PRO A 98 17.405 -1.033 3.464 1.00 0.72 H new ATOM 0 HD3 PRO A 98 18.136 -2.150 2.329 1.00 0.72 H new ATOM 1557 N GLN A 99 15.669 2.165 0.450 1.00 0.51 N ATOM 1558 CA GLN A 99 15.415 3.556 0.733 1.00 0.54 C ATOM 1559 C GLN A 99 13.935 3.751 0.974 1.00 0.50 C ATOM 1560 O GLN A 99 13.519 4.272 2.009 1.00 0.57 O ATOM 1561 CB GLN A 99 15.905 4.417 -0.436 1.00 0.56 C ATOM 1562 CG GLN A 99 15.252 5.780 -0.514 1.00 0.72 C ATOM 1563 CD GLN A 99 15.712 6.723 0.580 1.00 0.97 C ATOM 1564 OE1 GLN A 99 15.123 6.786 1.657 1.00 1.73 O ATOM 1565 NE2 GLN A 99 16.771 7.465 0.311 1.00 1.32 N ATOM 0 H GLN A 99 15.993 1.980 -0.499 1.00 0.51 H new ATOM 0 HA GLN A 99 15.956 3.863 1.628 1.00 0.54 H new ATOM 0 HB2 GLN A 99 16.984 4.547 -0.351 1.00 0.56 H new ATOM 0 HB3 GLN A 99 15.721 3.884 -1.369 1.00 0.56 H new ATOM 0 HG2 GLN A 99 15.470 6.226 -1.485 1.00 0.72 H new ATOM 0 HG3 GLN A 99 14.170 5.662 -0.453 1.00 0.72 H new ATOM 0 HE21 GLN A 99 17.233 7.385 -0.595 1.00 1.32 H new ATOM 0 HE22 GLN A 99 17.127 8.118 1.009 1.00 1.32 H new ATOM 1574 N CYS A 100 13.139 3.266 0.037 1.00 0.43 N ATOM 1575 CA CYS A 100 11.702 3.446 0.100 1.00 0.41 C ATOM 1576 C CYS A 100 10.998 2.430 -0.790 1.00 0.35 C ATOM 1577 O CYS A 100 11.588 1.865 -1.710 1.00 0.39 O ATOM 1578 CB CYS A 100 11.308 4.874 -0.313 1.00 0.45 C ATOM 1579 SG CYS A 100 11.693 6.150 0.912 1.00 0.64 S ATOM 0 H CYS A 100 13.465 2.744 -0.776 1.00 0.43 H new ATOM 0 HA CYS A 100 11.388 3.288 1.132 1.00 0.41 H new ATOM 0 HB2 CYS A 100 11.815 5.121 -1.246 1.00 0.45 H new ATOM 0 HB3 CYS A 100 10.237 4.896 -0.516 1.00 0.45 H new ATOM 0 HG CYS A 100 12.665 5.742 1.672 1.00 0.64 H new ATOM 1585 N ILE A 101 9.744 2.193 -0.486 1.00 0.29 N ATOM 1586 CA ILE A 101 8.900 1.323 -1.277 1.00 0.27 C ATOM 1587 C ILE A 101 7.887 2.183 -2.013 1.00 0.23 C ATOM 1588 O ILE A 101 7.166 2.952 -1.390 1.00 0.28 O ATOM 1589 CB ILE A 101 8.137 0.288 -0.403 1.00 0.35 C ATOM 1590 CG1 ILE A 101 9.081 -0.740 0.240 1.00 0.66 C ATOM 1591 CG2 ILE A 101 7.080 -0.434 -1.230 1.00 0.37 C ATOM 1592 CD1 ILE A 101 9.956 -0.195 1.352 1.00 0.73 C ATOM 0 H ILE A 101 9.275 2.601 0.323 1.00 0.29 H new ATOM 0 HA ILE A 101 9.535 0.768 -1.967 1.00 0.27 H new ATOM 0 HB ILE A 101 7.656 0.846 0.400 1.00 0.35 H new ATOM 0 HG12 ILE A 101 8.484 -1.561 0.636 1.00 0.66 H new ATOM 0 HG13 ILE A 101 9.723 -1.158 -0.536 1.00 0.66 H new ATOM 0 HG21 ILE A 101 6.556 -1.154 -0.602 1.00 0.37 H new ATOM 0 HG22 ILE A 101 6.367 0.291 -1.622 1.00 0.37 H new ATOM 0 HG23 ILE A 101 7.560 -0.956 -2.058 1.00 0.37 H new ATOM 0 HD11 ILE A 101 10.587 -0.993 1.743 1.00 0.73 H new ATOM 0 HD12 ILE A 101 10.584 0.605 0.961 1.00 0.73 H new ATOM 0 HD13 ILE A 101 9.327 0.195 2.152 1.00 0.73 H new ATOM 1604 N MET A 102 7.828 2.045 -3.320 1.00 0.22 N ATOM 1605 CA MET A 102 6.935 2.837 -4.136 1.00 0.23 C ATOM 1606 C MET A 102 5.734 1.994 -4.528 1.00 0.22 C ATOM 1607 O MET A 102 5.861 1.049 -5.307 1.00 0.24 O ATOM 1608 CB MET A 102 7.656 3.316 -5.395 1.00 0.30 C ATOM 1609 CG MET A 102 8.927 4.100 -5.112 1.00 0.69 C ATOM 1610 SD MET A 102 9.751 4.647 -6.621 1.00 1.47 S ATOM 1611 CE MET A 102 8.474 5.667 -7.354 1.00 1.81 C ATOM 0 H MET A 102 8.397 1.381 -3.846 1.00 0.22 H new ATOM 0 HA MET A 102 6.606 3.706 -3.566 1.00 0.23 H new ATOM 0 HB2 MET A 102 7.903 2.452 -6.012 1.00 0.30 H new ATOM 0 HB3 MET A 102 6.977 3.940 -5.976 1.00 0.30 H new ATOM 0 HG2 MET A 102 8.686 4.968 -4.498 1.00 0.69 H new ATOM 0 HG3 MET A 102 9.611 3.480 -4.532 1.00 0.69 H new ATOM 0 HE1 MET A 102 8.927 6.371 -8.053 1.00 1.81 H new ATOM 0 HE2 MET A 102 7.763 5.034 -7.886 1.00 1.81 H new ATOM 0 HE3 MET A 102 7.954 6.218 -6.570 1.00 1.81 H new ATOM 1621 N CYS A 103 4.582 2.299 -3.965 1.00 0.25 N ATOM 1622 CA CYS A 103 3.368 1.568 -4.300 1.00 0.26 C ATOM 1623 C CYS A 103 2.435 2.409 -5.158 1.00 0.27 C ATOM 1624 O CYS A 103 1.977 3.466 -4.733 1.00 0.32 O ATOM 1625 CB CYS A 103 2.635 1.141 -3.031 1.00 0.31 C ATOM 1626 SG CYS A 103 3.631 0.129 -1.912 1.00 0.39 S ATOM 0 H CYS A 103 4.457 3.042 -3.278 1.00 0.25 H new ATOM 0 HA CYS A 103 3.664 0.685 -4.867 1.00 0.26 H new ATOM 0 HB2 CYS A 103 2.302 2.032 -2.499 1.00 0.31 H new ATOM 0 HB3 CYS A 103 1.741 0.583 -3.310 1.00 0.31 H new ATOM 0 HG CYS A 103 2.848 -0.524 -1.105 1.00 0.39 H new ATOM 1632 N VAL A 104 2.166 1.950 -6.365 1.00 0.27 N ATOM 1633 CA VAL A 104 1.133 2.560 -7.178 1.00 0.28 C ATOM 1634 C VAL A 104 -0.145 1.760 -7.000 1.00 0.29 C ATOM 1635 O VAL A 104 -0.199 0.585 -7.370 1.00 0.29 O ATOM 1636 CB VAL A 104 1.515 2.601 -8.672 1.00 0.30 C ATOM 1637 CG1 VAL A 104 0.515 3.431 -9.460 1.00 0.35 C ATOM 1638 CG2 VAL A 104 2.925 3.145 -8.856 1.00 0.34 C ATOM 0 H VAL A 104 2.645 1.162 -6.802 1.00 0.27 H new ATOM 0 HA VAL A 104 1.000 3.592 -6.853 1.00 0.28 H new ATOM 0 HB VAL A 104 1.491 1.581 -9.055 1.00 0.30 H new ATOM 0 HG11 VAL A 104 0.803 3.447 -10.511 1.00 0.35 H new ATOM 0 HG12 VAL A 104 -0.478 2.993 -9.363 1.00 0.35 H new ATOM 0 HG13 VAL A 104 0.502 4.450 -9.072 1.00 0.35 H new ATOM 0 HG21 VAL A 104 3.172 3.164 -9.918 1.00 0.34 H new ATOM 0 HG22 VAL A 104 2.981 4.156 -8.452 1.00 0.34 H new ATOM 0 HG23 VAL A 104 3.633 2.505 -8.330 1.00 0.34 H new ATOM 1648 N ASN A 105 -1.161 2.381 -6.425 1.00 0.29 N ATOM 1649 CA ASN A 105 -2.376 1.656 -6.083 1.00 0.30 C ATOM 1650 C ASN A 105 -3.540 2.080 -6.937 1.00 0.27 C ATOM 1651 O ASN A 105 -3.711 3.260 -7.241 1.00 0.39 O ATOM 1652 CB ASN A 105 -2.741 1.823 -4.611 1.00 0.33 C ATOM 1653 CG ASN A 105 -1.738 1.158 -3.705 1.00 0.47 C ATOM 1654 OD1 ASN A 105 -1.797 -0.046 -3.469 1.00 0.75 O ATOM 1655 ND2 ASN A 105 -0.822 1.936 -3.172 1.00 0.63 N ATOM 0 H ASN A 105 -1.171 3.373 -6.187 1.00 0.29 H new ATOM 0 HA ASN A 105 -2.165 0.604 -6.275 1.00 0.30 H new ATOM 0 HB2 ASN A 105 -2.800 2.884 -4.370 1.00 0.33 H new ATOM 0 HB3 ASN A 105 -3.729 1.399 -4.432 1.00 0.33 H new ATOM 0 HD21 ASN A 105 -0.127 1.544 -2.537 1.00 0.63 H new ATOM 0 HD22 ASN A 105 -0.807 2.932 -3.393 1.00 0.63 H new ATOM 1662 N TYR A 106 -4.353 1.100 -7.282 1.00 0.23 N ATOM 1663 CA TYR A 106 -5.510 1.304 -8.123 1.00 0.24 C ATOM 1664 C TYR A 106 -6.744 0.810 -7.385 1.00 0.25 C ATOM 1665 O TYR A 106 -7.012 -0.388 -7.349 1.00 0.26 O ATOM 1666 CB TYR A 106 -5.352 0.538 -9.444 1.00 0.29 C ATOM 1667 CG TYR A 106 -4.082 0.874 -10.198 1.00 0.29 C ATOM 1668 CD1 TYR A 106 -2.889 0.227 -9.906 1.00 0.31 C ATOM 1669 CD2 TYR A 106 -4.082 1.832 -11.207 1.00 0.35 C ATOM 1670 CE1 TYR A 106 -1.732 0.523 -10.599 1.00 0.35 C ATOM 1671 CE2 TYR A 106 -2.930 2.134 -11.903 1.00 0.40 C ATOM 1672 CZ TYR A 106 -1.747 1.504 -11.566 1.00 0.40 C ATOM 1673 OH TYR A 106 -0.605 1.765 -12.288 1.00 0.48 O ATOM 0 H TYR A 106 -4.225 0.133 -6.983 1.00 0.23 H new ATOM 0 HA TYR A 106 -5.611 2.365 -8.351 1.00 0.24 H new ATOM 0 HB2 TYR A 106 -5.368 -0.532 -9.237 1.00 0.29 H new ATOM 0 HB3 TYR A 106 -6.210 0.752 -10.082 1.00 0.29 H new ATOM 0 HD1 TYR A 106 -2.865 -0.519 -9.125 1.00 0.31 H new ATOM 0 HD2 TYR A 106 -4.999 2.348 -11.449 1.00 0.35 H new ATOM 0 HE1 TYR A 106 -0.819 -0.012 -10.384 1.00 0.35 H new ATOM 0 HE2 TYR A 106 -2.952 2.857 -12.705 1.00 0.40 H new ATOM 0 HH TYR A 106 -0.781 2.483 -12.931 1.00 0.48 H new ATOM 1683 N VAL A 107 -7.454 1.725 -6.747 1.00 0.26 N ATOM 1684 CA VAL A 107 -8.672 1.373 -6.032 1.00 0.28 C ATOM 1685 C VAL A 107 -9.773 1.088 -7.039 1.00 0.33 C ATOM 1686 O VAL A 107 -10.288 1.997 -7.685 1.00 0.46 O ATOM 1687 CB VAL A 107 -9.132 2.494 -5.078 1.00 0.35 C ATOM 1688 CG1 VAL A 107 -10.271 2.011 -4.188 1.00 0.71 C ATOM 1689 CG2 VAL A 107 -7.969 2.993 -4.242 1.00 0.62 C ATOM 0 H VAL A 107 -7.210 2.715 -6.709 1.00 0.26 H new ATOM 0 HA VAL A 107 -8.462 0.491 -5.427 1.00 0.28 H new ATOM 0 HB VAL A 107 -9.501 3.325 -5.679 1.00 0.35 H new ATOM 0 HG11 VAL A 107 -10.580 2.817 -3.523 1.00 0.71 H new ATOM 0 HG12 VAL A 107 -11.115 1.709 -4.809 1.00 0.71 H new ATOM 0 HG13 VAL A 107 -9.934 1.161 -3.595 1.00 0.71 H new ATOM 0 HG21 VAL A 107 -8.313 3.784 -3.575 1.00 0.62 H new ATOM 0 HG22 VAL A 107 -7.566 2.170 -3.652 1.00 0.62 H new ATOM 0 HG23 VAL A 107 -7.191 3.384 -4.898 1.00 0.62 H new ATOM 1699 N LEU A 108 -10.122 -0.173 -7.190 1.00 0.31 N ATOM 1700 CA LEU A 108 -11.065 -0.569 -8.219 1.00 0.39 C ATOM 1701 C LEU A 108 -12.485 -0.560 -7.674 1.00 0.44 C ATOM 1702 O LEU A 108 -13.305 0.284 -8.049 1.00 0.60 O ATOM 1703 CB LEU A 108 -10.718 -1.961 -8.759 1.00 0.44 C ATOM 1704 CG LEU A 108 -9.228 -2.223 -8.987 1.00 0.46 C ATOM 1705 CD1 LEU A 108 -8.641 -3.006 -7.826 1.00 0.66 C ATOM 1706 CD2 LEU A 108 -9.002 -2.956 -10.302 1.00 0.48 C ATOM 0 H LEU A 108 -9.769 -0.939 -6.617 1.00 0.31 H new ATOM 0 HA LEU A 108 -11.000 0.150 -9.036 1.00 0.39 H new ATOM 0 HB2 LEU A 108 -11.099 -2.708 -8.062 1.00 0.44 H new ATOM 0 HB3 LEU A 108 -11.244 -2.108 -9.702 1.00 0.44 H new ATOM 0 HG LEU A 108 -8.717 -1.262 -9.045 1.00 0.46 H new ATOM 0 HD11 LEU A 108 -7.581 -3.183 -8.006 1.00 0.66 H new ATOM 0 HD12 LEU A 108 -8.763 -2.437 -6.905 1.00 0.66 H new ATOM 0 HD13 LEU A 108 -9.158 -3.961 -7.733 1.00 0.66 H new ATOM 0 HD21 LEU A 108 -7.935 -3.131 -10.442 1.00 0.48 H new ATOM 0 HD22 LEU A 108 -9.527 -3.911 -10.281 1.00 0.48 H new ATOM 0 HD23 LEU A 108 -9.382 -2.351 -11.126 1.00 0.48 H new ATOM 1718 N SER A 109 -12.747 -1.470 -6.754 1.00 0.44 N ATOM 1719 CA SER A 109 -14.082 -1.662 -6.220 1.00 0.54 C ATOM 1720 C SER A 109 -14.406 -0.597 -5.178 1.00 0.64 C ATOM 1721 O SER A 109 -13.561 0.244 -4.844 1.00 0.93 O ATOM 1722 CB SER A 109 -14.196 -3.059 -5.611 1.00 0.64 C ATOM 1723 OG SER A 109 -13.800 -4.054 -6.545 1.00 1.46 O ATOM 0 H SER A 109 -12.044 -2.094 -6.358 1.00 0.44 H new ATOM 0 HA SER A 109 -14.803 -1.567 -7.032 1.00 0.54 H new ATOM 0 HB2 SER A 109 -13.573 -3.123 -4.719 1.00 0.64 H new ATOM 0 HB3 SER A 109 -15.224 -3.240 -5.295 1.00 0.64 H new ATOM 0 HG SER A 109 -13.879 -4.940 -6.133 1.00 1.46 H new ATOM 1729 N GLU A 110 -15.637 -0.615 -4.698 1.00 0.62 N ATOM 1730 CA GLU A 110 -16.079 0.324 -3.682 1.00 0.74 C ATOM 1731 C GLU A 110 -15.957 -0.291 -2.295 1.00 0.59 C ATOM 1732 O GLU A 110 -15.200 -1.240 -2.093 1.00 0.55 O ATOM 1733 CB GLU A 110 -17.520 0.751 -3.946 1.00 1.07 C ATOM 1734 CG GLU A 110 -17.703 1.484 -5.263 1.00 1.46 C ATOM 1735 CD GLU A 110 -19.143 1.874 -5.516 1.00 2.17 C ATOM 1736 OE1 GLU A 110 -19.611 2.863 -4.911 1.00 2.94 O ATOM 1737 OE2 GLU A 110 -19.817 1.191 -6.314 1.00 2.41 O ATOM 0 H GLU A 110 -16.354 -1.276 -4.999 1.00 0.62 H new ATOM 0 HA GLU A 110 -15.439 1.205 -3.726 1.00 0.74 H new ATOM 0 HB2 GLU A 110 -18.159 -0.132 -3.939 1.00 1.07 H new ATOM 0 HB3 GLU A 110 -17.855 1.394 -3.132 1.00 1.07 H new ATOM 0 HG2 GLU A 110 -17.082 2.380 -5.265 1.00 1.46 H new ATOM 0 HG3 GLU A 110 -17.353 0.851 -6.079 1.00 1.46 H new ATOM 1744 N ILE A 111 -16.707 0.257 -1.350 1.00 0.66 N ATOM 1745 CA ILE A 111 -16.667 -0.208 0.024 1.00 0.59 C ATOM 1746 C ILE A 111 -17.388 -1.538 0.173 1.00 0.58 C ATOM 1747 O ILE A 111 -18.604 -1.635 0.011 1.00 0.68 O ATOM 1748 CB ILE A 111 -17.289 0.826 0.982 1.00 0.67 C ATOM 1749 CG1 ILE A 111 -16.679 2.208 0.735 1.00 0.77 C ATOM 1750 CG2 ILE A 111 -17.074 0.402 2.430 1.00 0.70 C ATOM 1751 CD1 ILE A 111 -17.346 3.313 1.526 1.00 0.89 C ATOM 0 H ILE A 111 -17.354 1.029 -1.514 1.00 0.66 H new ATOM 0 HA ILE A 111 -15.618 -0.343 0.287 1.00 0.59 H new ATOM 0 HB ILE A 111 -18.361 0.879 0.792 1.00 0.67 H new ATOM 0 HG12 ILE A 111 -15.619 2.179 0.989 1.00 0.77 H new ATOM 0 HG13 ILE A 111 -16.746 2.441 -0.328 1.00 0.77 H new ATOM 0 HG21 ILE A 111 -17.519 1.142 3.096 1.00 0.70 H new ATOM 0 HG22 ILE A 111 -17.544 -0.567 2.599 1.00 0.70 H new ATOM 0 HG23 ILE A 111 -16.006 0.327 2.632 1.00 0.70 H new ATOM 0 HD11 ILE A 111 -16.863 4.264 1.302 1.00 0.89 H new ATOM 0 HD12 ILE A 111 -18.400 3.369 1.255 1.00 0.89 H new ATOM 0 HD13 ILE A 111 -17.256 3.103 2.592 1.00 0.89 H new ATOM 1763 N GLU A 112 -16.607 -2.546 0.478 1.00 0.53 N ATOM 1764 CA GLU A 112 -17.093 -3.876 0.735 1.00 0.61 C ATOM 1765 C GLU A 112 -17.005 -4.132 2.230 1.00 0.64 C ATOM 1766 O GLU A 112 -15.934 -4.412 2.766 1.00 0.73 O ATOM 1767 CB GLU A 112 -16.249 -4.887 -0.045 1.00 0.68 C ATOM 1768 CG GLU A 112 -16.502 -6.323 0.353 1.00 1.14 C ATOM 1769 CD GLU A 112 -17.856 -6.833 -0.084 1.00 1.24 C ATOM 1770 OE1 GLU A 112 -18.855 -6.523 0.599 1.00 1.56 O ATOM 1771 OE2 GLU A 112 -17.936 -7.539 -1.111 1.00 1.64 O ATOM 0 H GLU A 112 -15.594 -2.460 0.556 1.00 0.53 H new ATOM 0 HA GLU A 112 -18.129 -3.980 0.411 1.00 0.61 H new ATOM 0 HB2 GLU A 112 -16.453 -4.773 -1.110 1.00 0.68 H new ATOM 0 HB3 GLU A 112 -15.194 -4.658 0.104 1.00 0.68 H new ATOM 0 HG2 GLU A 112 -15.726 -6.955 -0.079 1.00 1.14 H new ATOM 0 HG3 GLU A 112 -16.419 -6.413 1.436 1.00 1.14 H new ATOM 1778 N LYS A 113 -18.122 -3.991 2.906 1.00 0.82 N ATOM 1779 CA LYS A 113 -18.132 -4.035 4.352 1.00 0.95 C ATOM 1780 C LYS A 113 -18.357 -5.451 4.865 1.00 1.14 C ATOM 1781 O LYS A 113 -19.479 -5.958 4.867 1.00 1.29 O ATOM 1782 CB LYS A 113 -19.200 -3.088 4.884 1.00 1.09 C ATOM 1783 CG LYS A 113 -18.983 -1.649 4.448 1.00 1.10 C ATOM 1784 CD LYS A 113 -20.050 -0.711 4.991 1.00 1.47 C ATOM 1785 CE LYS A 113 -21.450 -1.205 4.665 1.00 1.97 C ATOM 1786 NZ LYS A 113 -22.495 -0.254 5.115 1.00 2.69 N ATOM 0 H LYS A 113 -19.036 -3.845 2.478 1.00 0.82 H new ATOM 0 HA LYS A 113 -17.156 -3.713 4.715 1.00 0.95 H new ATOM 0 HB2 LYS A 113 -20.179 -3.423 4.541 1.00 1.09 H new ATOM 0 HB3 LYS A 113 -19.211 -3.135 5.973 1.00 1.09 H new ATOM 0 HG2 LYS A 113 -18.002 -1.314 4.786 1.00 1.10 H new ATOM 0 HG3 LYS A 113 -18.979 -1.599 3.359 1.00 1.10 H new ATOM 0 HD2 LYS A 113 -19.939 -0.619 6.071 1.00 1.47 H new ATOM 0 HD3 LYS A 113 -19.908 0.284 4.570 1.00 1.47 H new ATOM 0 HE2 LYS A 113 -21.539 -1.358 3.590 1.00 1.97 H new ATOM 0 HE3 LYS A 113 -21.612 -2.173 5.140 1.00 1.97 H new ATOM 0 HZ1 LYS A 113 -23.434 -0.630 4.873 1.00 2.69 H new ATOM 0 HZ2 LYS A 113 -22.428 -0.127 6.145 1.00 2.69 H new ATOM 0 HZ3 LYS A 113 -22.357 0.662 4.643 1.00 2.69 H new ATOM 1800 N ASN A 114 -17.271 -6.095 5.255 1.00 1.33 N ATOM 1801 CA ASN A 114 -17.327 -7.401 5.892 1.00 1.59 C ATOM 1802 C ASN A 114 -17.177 -7.236 7.399 1.00 1.87 C ATOM 1803 O ASN A 114 -18.202 -7.279 8.112 1.00 2.52 O ATOM 1804 CB ASN A 114 -16.229 -8.330 5.357 1.00 2.62 C ATOM 1805 CG ASN A 114 -16.530 -8.895 3.976 1.00 3.39 C ATOM 1806 OD1 ASN A 114 -16.125 -10.010 3.650 1.00 3.87 O ATOM 1807 ND2 ASN A 114 -17.230 -8.133 3.152 1.00 3.97 N ATOM 1808 OXT ASN A 114 -16.037 -7.021 7.862 1.00 2.41 O ATOM 0 H ASN A 114 -16.326 -5.729 5.140 1.00 1.33 H new ATOM 0 HA ASN A 114 -18.291 -7.855 5.663 1.00 1.59 H new ATOM 0 HB2 ASN A 114 -15.287 -7.782 5.319 1.00 2.62 H new ATOM 0 HB3 ASN A 114 -16.090 -9.155 6.056 1.00 2.62 H new ATOM 0 HD21 ASN A 114 -17.450 -8.465 2.213 1.00 3.97 H new ATOM 0 HD22 ASN A 114 -17.550 -7.213 3.456 1.00 3.97 H new TER 1815 ASN A 114