USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 617 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 21 GLN : amide:sc= 2.65 K(o=2.5,f=-1.3) USER MOD Set 1.2: A 32 ASN : amide:sc= -0.853! K(o=2.5!,f=0.71) USER MOD Set 1.3: A 36 SER OG : rot -4:sc= 0.735 USER MOD Set 2.1: A 2 ASN : amide:sc= -1.4 K(o=-0.96,f=-7.9!) USER MOD Set 2.2: A 3 THR OG1 : rot 40:sc= 0.441 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.299 (180deg=-0.192) USER MOD Single : A 4 GLN : amide:sc= 1.12 K(o=1.1,f=-0.097) USER MOD Single : A 6 MET CE :methyl 144:sc= 0 (180deg=-0.564) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= 1.07 (180deg=0.785) USER MOD Single : A 27 MET CE :methyl 170:sc= -0.0666 (180deg=-0.192) USER MOD Single : A 31 SER OG : rot 180:sc= 0.801 USER MOD Single : A 37 GLN : amide:sc= 1.83 K(o=1.8,f=-11!) USER MOD Single : A 41 SER OG : rot 33:sc= 0.325 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0748 K(o=-0.075,f=-4.1!) USER MOD Single : A 49 ASN : amide:sc= -0.657 X(o=-0.66,f=-1.1!) USER MOD Single : A 54 SER OG : rot -40:sc= 1.22 USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= 3.32 (180deg=2.82) USER MOD Single : A 58 GLN : amide:sc= 1.12 K(o=1.1,f=-1.1) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.336 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0788 USER MOD Single : A 63 TYR OH : rot 100:sc= 1.09 USER MOD Single : A 66 LYS NZ :NH3+ -178:sc= -0.0693 (180deg=-0.0834) USER MOD Single : A 70 SER OG : rot 85:sc= 1.21 USER MOD Single : A 71 GLN : amide:sc= 1.88 K(o=1.9,f=-0.38) USER MOD Single : A 72 THR OG1 : rot 56:sc= 0.395 USER MOD Single : A 73 ASN : amide:sc= 0.797 K(o=0.8,f=-0.12) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.772 -4.525 6.653 1.00 11.38 N ATOM 2 CA MET A 1 13.755 -4.776 5.620 1.00 11.32 C ATOM 3 C MET A 1 14.242 -4.042 4.375 1.00 10.37 C ATOM 4 O MET A 1 15.450 -3.819 4.300 1.00 10.27 O ATOM 5 CB MET A 1 12.355 -4.347 6.085 1.00 11.62 C ATOM 6 CG MET A 1 11.909 -5.091 7.351 1.00 12.58 C ATOM 7 SD MET A 1 10.207 -4.734 7.846 1.00 13.09 S ATOM 8 CE MET A 1 10.064 -5.764 9.322 1.00 14.66 C ATOM 0 H1 MET A 1 15.065 -5.428 7.078 1.00 11.38 H new ATOM 0 H2 MET A 1 15.597 -4.061 6.222 1.00 11.38 H new ATOM 0 H3 MET A 1 14.374 -3.909 7.390 1.00 11.38 H new ATOM 0 HA MET A 1 13.642 -5.839 5.405 1.00 11.32 H new ATOM 0 HB2 MET A 1 12.351 -3.274 6.276 1.00 11.62 H new ATOM 0 HB3 MET A 1 11.637 -4.531 5.286 1.00 11.62 H new ATOM 0 HG2 MET A 1 12.012 -6.164 7.186 1.00 12.58 H new ATOM 0 HG3 MET A 1 12.578 -4.829 8.170 1.00 12.58 H new ATOM 0 HE1 MET A 1 9.066 -5.654 9.747 1.00 14.66 H new ATOM 0 HE2 MET A 1 10.232 -6.807 9.055 1.00 14.66 H new ATOM 0 HE3 MET A 1 10.807 -5.453 10.056 1.00 14.66 H new ATOM 17 N ASN A 2 13.364 -3.652 3.448 1.00 10.11 N ATOM 18 CA ASN A 2 13.761 -2.774 2.353 1.00 9.52 C ATOM 19 C ASN A 2 14.237 -1.421 2.911 1.00 7.71 C ATOM 20 O ASN A 2 13.930 -1.070 4.051 1.00 7.15 O ATOM 21 CB ASN A 2 12.596 -2.610 1.361 1.00 10.32 C ATOM 22 CG ASN A 2 12.960 -1.592 0.288 1.00 10.32 C ATOM 23 OD1 ASN A 2 12.510 -0.457 0.333 1.00 9.77 O ATOM 24 ND2 ASN A 2 13.864 -1.943 -0.615 1.00 11.29 N ATOM 0 H ASN A 2 12.382 -3.929 3.436 1.00 10.11 H new ATOM 0 HA ASN A 2 14.595 -3.219 1.810 1.00 9.52 H new ATOM 0 HB2 ASN A 2 12.364 -3.570 0.899 1.00 10.32 H new ATOM 0 HB3 ASN A 2 11.700 -2.287 1.891 1.00 10.32 H new ATOM 0 HD21 ASN A 2 14.200 -1.259 -1.293 1.00 11.29 H new ATOM 0 HD22 ASN A 2 14.224 -2.897 -0.632 1.00 11.29 H new ATOM 31 N THR A 3 14.994 -0.665 2.111 1.00 7.36 N ATOM 32 CA THR A 3 15.303 0.735 2.336 1.00 6.36 C ATOM 33 C THR A 3 13.997 1.518 2.513 1.00 5.18 C ATOM 34 O THR A 3 13.344 1.834 1.518 1.00 5.79 O ATOM 35 CB THR A 3 16.053 1.226 1.091 1.00 7.48 C ATOM 36 OG1 THR A 3 15.369 0.735 -0.046 1.00 8.70 O ATOM 37 CG2 THR A 3 17.488 0.696 1.057 1.00 8.32 C ATOM 0 H THR A 3 15.420 -1.032 1.260 1.00 7.36 H new ATOM 0 HA THR A 3 15.909 0.876 3.231 1.00 6.36 H new ATOM 0 HB THR A 3 16.090 2.315 1.106 1.00 7.48 H new ATOM 0 HG1 THR A 3 14.402 0.786 0.106 1.00 8.70 H new ATOM 0 HG21 THR A 3 17.990 1.063 0.162 1.00 8.32 H new ATOM 0 HG22 THR A 3 18.024 1.041 1.941 1.00 8.32 H new ATOM 0 HG23 THR A 3 17.473 -0.394 1.044 1.00 8.32 H new ATOM 45 N GLN A 4 13.621 1.798 3.763 1.00 4.07 N ATOM 46 CA GLN A 4 12.310 2.294 4.163 1.00 3.16 C ATOM 47 C GLN A 4 11.244 1.204 4.004 1.00 3.10 C ATOM 48 O GLN A 4 11.292 0.380 3.087 1.00 4.21 O ATOM 49 CB GLN A 4 11.925 3.621 3.483 1.00 3.53 C ATOM 50 CG GLN A 4 12.706 4.791 4.091 1.00 4.14 C ATOM 51 CD GLN A 4 12.298 6.118 3.459 1.00 5.18 C ATOM 52 OE1 GLN A 4 12.935 6.581 2.518 1.00 6.20 O ATOM 53 NE2 GLN A 4 11.240 6.748 3.957 1.00 5.57 N ATOM 0 H GLN A 4 14.252 1.679 4.555 1.00 4.07 H new ATOM 0 HA GLN A 4 12.370 2.539 5.223 1.00 3.16 H new ATOM 0 HB2 GLN A 4 12.128 3.559 2.414 1.00 3.53 H new ATOM 0 HB3 GLN A 4 10.855 3.795 3.595 1.00 3.53 H new ATOM 0 HG2 GLN A 4 12.530 4.829 5.166 1.00 4.14 H new ATOM 0 HG3 GLN A 4 13.775 4.631 3.948 1.00 4.14 H new ATOM 0 HE21 GLN A 4 10.727 6.343 4.740 1.00 5.57 H new ATOM 0 HE22 GLN A 4 10.941 7.637 3.557 1.00 5.57 H new ATOM 62 N LEU A 5 10.294 1.185 4.936 1.00 2.26 N ATOM 63 CA LEU A 5 9.260 0.168 5.035 1.00 2.24 C ATOM 64 C LEU A 5 8.304 0.260 3.845 1.00 1.95 C ATOM 65 O LEU A 5 8.171 1.311 3.215 1.00 1.94 O ATOM 66 CB LEU A 5 8.502 0.341 6.361 1.00 2.41 C ATOM 67 CG LEU A 5 9.393 0.200 7.607 1.00 2.60 C ATOM 68 CD1 LEU A 5 8.581 0.585 8.847 1.00 2.34 C ATOM 69 CD2 LEU A 5 9.912 -1.232 7.775 1.00 3.32 C ATOM 0 H LEU A 5 10.224 1.898 5.662 1.00 2.26 H new ATOM 0 HA LEU A 5 9.721 -0.820 5.016 1.00 2.24 H new ATOM 0 HB2 LEU A 5 8.029 1.323 6.373 1.00 2.41 H new ATOM 0 HB3 LEU A 5 7.703 -0.399 6.411 1.00 2.41 H new ATOM 0 HG LEU A 5 10.252 0.859 7.485 1.00 2.60 H new ATOM 0 HD11 LEU A 5 9.205 0.488 9.735 1.00 2.34 H new ATOM 0 HD12 LEU A 5 8.241 1.616 8.753 1.00 2.34 H new ATOM 0 HD13 LEU A 5 7.718 -0.075 8.936 1.00 2.34 H new ATOM 0 HD21 LEU A 5 10.537 -1.290 8.666 1.00 3.32 H new ATOM 0 HD22 LEU A 5 9.069 -1.915 7.878 1.00 3.32 H new ATOM 0 HD23 LEU A 5 10.500 -1.511 6.900 1.00 3.32 H new ATOM 81 N MET A 6 7.611 -0.834 3.531 1.00 1.86 N ATOM 82 CA MET A 6 6.500 -0.786 2.592 1.00 1.65 C ATOM 83 C MET A 6 5.462 0.200 3.128 1.00 1.35 C ATOM 84 O MET A 6 5.024 1.086 2.398 1.00 1.09 O ATOM 85 CB MET A 6 5.898 -2.179 2.369 1.00 1.95 C ATOM 86 CG MET A 6 6.380 -2.803 1.058 1.00 2.37 C ATOM 87 SD MET A 6 8.169 -2.934 0.802 1.00 2.81 S ATOM 88 CE MET A 6 8.608 -3.993 2.197 1.00 2.55 C ATOM 0 H MET A 6 7.801 -1.760 3.914 1.00 1.86 H new ATOM 0 HA MET A 6 6.853 -0.447 1.618 1.00 1.65 H new ATOM 0 HB2 MET A 6 6.167 -2.829 3.202 1.00 1.95 H new ATOM 0 HB3 MET A 6 4.810 -2.108 2.359 1.00 1.95 H new ATOM 0 HG2 MET A 6 5.956 -3.804 0.986 1.00 2.37 H new ATOM 0 HG3 MET A 6 5.964 -2.221 0.236 1.00 2.37 H new ATOM 0 HE1 MET A 6 9.409 -4.670 1.902 1.00 2.55 H new ATOM 0 HE2 MET A 6 8.943 -3.376 3.031 1.00 2.55 H new ATOM 0 HE3 MET A 6 7.737 -4.573 2.502 1.00 2.55 H new ATOM 98 N GLY A 7 5.107 0.072 4.407 1.00 1.59 N ATOM 99 CA GLY A 7 4.179 0.941 5.111 1.00 1.64 C ATOM 100 C GLY A 7 4.333 2.415 4.737 1.00 1.46 C ATOM 101 O GLY A 7 3.362 3.088 4.392 1.00 1.44 O ATOM 0 H GLY A 7 5.476 -0.672 5.000 1.00 1.59 H new ATOM 0 HA2 GLY A 7 3.159 0.623 4.896 1.00 1.64 H new ATOM 0 HA3 GLY A 7 4.328 0.828 6.185 1.00 1.64 H new ATOM 105 N GLU A 8 5.563 2.929 4.791 1.00 1.45 N ATOM 106 CA GLU A 8 5.810 4.342 4.553 1.00 1.46 C ATOM 107 C GLU A 8 5.737 4.719 3.069 1.00 1.10 C ATOM 108 O GLU A 8 5.194 5.776 2.748 1.00 1.19 O ATOM 109 CB GLU A 8 7.080 4.810 5.265 1.00 1.75 C ATOM 110 CG GLU A 8 8.355 4.092 4.843 1.00 2.76 C ATOM 111 CD GLU A 8 9.504 4.471 5.761 1.00 3.81 C ATOM 112 OE1 GLU A 8 9.714 5.693 5.920 1.00 4.20 O ATOM 113 OE2 GLU A 8 10.161 3.535 6.263 1.00 5.12 O ATOM 0 H GLU A 8 6.400 2.384 4.998 1.00 1.45 H new ATOM 0 HA GLU A 8 4.992 4.902 5.005 1.00 1.46 H new ATOM 0 HB2 GLU A 8 7.206 5.878 5.087 1.00 1.75 H new ATOM 0 HB3 GLU A 8 6.946 4.680 6.339 1.00 1.75 H new ATOM 0 HG2 GLU A 8 8.199 3.014 4.871 1.00 2.76 H new ATOM 0 HG3 GLU A 8 8.603 4.352 3.814 1.00 2.76 H new ATOM 120 N ARG A 9 6.226 3.880 2.148 1.00 0.88 N ATOM 121 CA ARG A 9 6.011 4.158 0.725 1.00 0.85 C ATOM 122 C ARG A 9 4.516 4.092 0.385 1.00 0.82 C ATOM 123 O ARG A 9 4.031 4.918 -0.385 1.00 1.05 O ATOM 124 CB ARG A 9 6.890 3.310 -0.213 1.00 1.10 C ATOM 125 CG ARG A 9 6.755 1.804 0.018 1.00 1.69 C ATOM 126 CD ARG A 9 7.604 0.926 -0.907 1.00 1.99 C ATOM 127 NE ARG A 9 9.021 1.285 -0.857 1.00 1.86 N ATOM 128 CZ ARG A 9 9.886 1.025 0.138 1.00 2.65 C ATOM 129 NH1 ARG A 9 9.692 0.006 0.979 1.00 3.50 N ATOM 130 NH2 ARG A 9 10.964 1.805 0.275 1.00 3.75 N ATOM 0 H ARG A 9 6.755 3.032 2.352 1.00 0.88 H new ATOM 0 HA ARG A 9 6.346 5.179 0.542 1.00 0.85 H new ATOM 0 HB2 ARG A 9 6.627 3.536 -1.246 1.00 1.10 H new ATOM 0 HB3 ARG A 9 7.933 3.598 -0.079 1.00 1.10 H new ATOM 0 HG2 ARG A 9 7.026 1.585 1.051 1.00 1.69 H new ATOM 0 HG3 ARG A 9 5.708 1.526 -0.103 1.00 1.69 H new ATOM 0 HD2 ARG A 9 7.485 -0.120 -0.624 1.00 1.99 H new ATOM 0 HD3 ARG A 9 7.242 1.022 -1.931 1.00 1.99 H new ATOM 0 HE ARG A 9 9.392 1.786 -1.664 1.00 1.86 H new ATOM 0 HH11 ARG A 9 8.874 -0.594 0.873 1.00 3.50 H new ATOM 0 HH12 ARG A 9 10.362 -0.173 1.727 1.00 3.50 H new ATOM 0 HH21 ARG A 9 11.118 2.581 -0.369 1.00 3.75 H new ATOM 0 HH22 ARG A 9 11.632 1.624 1.024 1.00 3.75 H new ATOM 144 N ILE A 10 3.772 3.152 0.979 1.00 0.71 N ATOM 145 CA ILE A 10 2.321 3.074 0.838 1.00 0.79 C ATOM 146 C ILE A 10 1.704 4.389 1.319 1.00 1.02 C ATOM 147 O ILE A 10 0.966 5.027 0.573 1.00 1.17 O ATOM 148 CB ILE A 10 1.762 1.846 1.588 1.00 0.87 C ATOM 149 CG1 ILE A 10 2.250 0.541 0.931 1.00 0.89 C ATOM 150 CG2 ILE A 10 0.225 1.863 1.622 1.00 1.02 C ATOM 151 CD1 ILE A 10 2.141 -0.658 1.877 1.00 1.30 C ATOM 0 H ILE A 10 4.165 2.422 1.573 1.00 0.71 H new ATOM 0 HA ILE A 10 2.054 2.937 -0.210 1.00 0.79 H new ATOM 0 HB ILE A 10 2.131 1.893 2.613 1.00 0.87 H new ATOM 0 HG12 ILE A 10 1.664 0.347 0.032 1.00 0.89 H new ATOM 0 HG13 ILE A 10 3.287 0.660 0.616 1.00 0.89 H new ATOM 0 HG21 ILE A 10 -0.137 0.985 2.157 1.00 1.02 H new ATOM 0 HG22 ILE A 10 -0.118 2.764 2.130 1.00 1.02 H new ATOM 0 HG23 ILE A 10 -0.162 1.852 0.603 1.00 1.02 H new ATOM 0 HD11 ILE A 10 2.496 -1.555 1.370 1.00 1.30 H new ATOM 0 HD12 ILE A 10 2.748 -0.478 2.764 1.00 1.30 H new ATOM 0 HD13 ILE A 10 1.101 -0.796 2.171 1.00 1.30 H new ATOM 163 N ARG A 11 2.024 4.804 2.549 1.00 1.17 N ATOM 164 CA ARG A 11 1.588 6.068 3.137 1.00 1.44 C ATOM 165 C ARG A 11 1.834 7.228 2.162 1.00 1.48 C ATOM 166 O ARG A 11 0.909 7.950 1.778 1.00 1.60 O ATOM 167 CB ARG A 11 2.329 6.247 4.476 1.00 1.62 C ATOM 168 CG ARG A 11 1.890 7.448 5.317 1.00 1.99 C ATOM 169 CD ARG A 11 2.554 7.400 6.707 1.00 2.46 C ATOM 170 NE ARG A 11 4.029 7.521 6.649 1.00 3.22 N ATOM 171 CZ ARG A 11 4.951 6.731 7.242 1.00 4.13 C ATOM 172 NH1 ARG A 11 4.607 5.577 7.823 1.00 4.13 N ATOM 173 NH2 ARG A 11 6.236 7.105 7.242 1.00 5.71 N ATOM 0 H ARG A 11 2.609 4.253 3.177 1.00 1.17 H new ATOM 0 HA ARG A 11 0.515 6.061 3.330 1.00 1.44 H new ATOM 0 HB2 ARG A 11 2.195 5.342 5.069 1.00 1.62 H new ATOM 0 HB3 ARG A 11 3.396 6.339 4.271 1.00 1.62 H new ATOM 0 HG2 ARG A 11 2.160 8.374 4.809 1.00 1.99 H new ATOM 0 HG3 ARG A 11 0.805 7.448 5.425 1.00 1.99 H new ATOM 0 HD2 ARG A 11 2.153 8.205 7.323 1.00 2.46 H new ATOM 0 HD3 ARG A 11 2.291 6.462 7.197 1.00 2.46 H new ATOM 0 HE ARG A 11 4.393 8.295 6.094 1.00 3.22 H new ATOM 0 HH11 ARG A 11 3.632 5.277 7.824 1.00 4.13 H new ATOM 0 HH12 ARG A 11 5.320 4.996 8.265 1.00 4.13 H new ATOM 0 HH21 ARG A 11 6.512 7.980 6.797 1.00 5.71 H new ATOM 0 HH22 ARG A 11 6.939 6.515 7.687 1.00 5.71 H new ATOM 187 N ALA A 12 3.092 7.391 1.747 1.00 1.41 N ATOM 188 CA ALA A 12 3.513 8.454 0.849 1.00 1.54 C ATOM 189 C ALA A 12 2.718 8.421 -0.456 1.00 1.50 C ATOM 190 O ALA A 12 2.146 9.431 -0.859 1.00 1.71 O ATOM 191 CB ALA A 12 5.017 8.339 0.583 1.00 1.52 C ATOM 0 H ALA A 12 3.854 6.776 2.033 1.00 1.41 H new ATOM 0 HA ALA A 12 3.313 9.414 1.324 1.00 1.54 H new ATOM 0 HB1 ALA A 12 5.329 9.137 -0.090 1.00 1.52 H new ATOM 0 HB2 ALA A 12 5.560 8.425 1.524 1.00 1.52 H new ATOM 0 HB3 ALA A 12 5.233 7.373 0.126 1.00 1.52 H new ATOM 197 N ARG A 13 2.680 7.270 -1.129 1.00 1.28 N ATOM 198 CA ARG A 13 2.002 7.132 -2.408 1.00 1.23 C ATOM 199 C ARG A 13 0.505 7.394 -2.266 1.00 1.20 C ATOM 200 O ARG A 13 -0.062 8.126 -3.074 1.00 1.28 O ATOM 201 CB ARG A 13 2.281 5.753 -3.022 1.00 1.16 C ATOM 202 CG ARG A 13 3.723 5.623 -3.537 1.00 2.00 C ATOM 203 CD ARG A 13 3.989 6.418 -4.826 1.00 1.99 C ATOM 204 NE ARG A 13 3.180 5.918 -5.954 1.00 1.30 N ATOM 205 CZ ARG A 13 3.621 5.357 -7.096 1.00 1.81 C ATOM 206 NH1 ARG A 13 4.929 5.223 -7.341 1.00 2.42 N ATOM 207 NH2 ARG A 13 2.730 4.929 -7.994 1.00 2.84 N ATOM 0 H ARG A 13 3.120 6.411 -0.799 1.00 1.28 H new ATOM 0 HA ARG A 13 2.398 7.884 -3.090 1.00 1.23 H new ATOM 0 HB2 ARG A 13 2.093 4.981 -2.276 1.00 1.16 H new ATOM 0 HB3 ARG A 13 1.587 5.577 -3.844 1.00 1.16 H new ATOM 0 HG2 ARG A 13 4.409 5.964 -2.762 1.00 2.00 H new ATOM 0 HG3 ARG A 13 3.942 4.571 -3.717 1.00 2.00 H new ATOM 0 HD2 ARG A 13 3.765 7.471 -4.656 1.00 1.99 H new ATOM 0 HD3 ARG A 13 5.047 6.354 -5.081 1.00 1.99 H new ATOM 0 HE ARG A 13 2.169 6.008 -5.858 1.00 1.30 H new ATOM 0 HH11 ARG A 13 5.612 5.548 -6.657 1.00 2.42 H new ATOM 0 HH12 ARG A 13 5.244 4.795 -8.212 1.00 2.42 H new ATOM 0 HH21 ARG A 13 1.732 5.029 -7.810 1.00 2.84 H new ATOM 0 HH22 ARG A 13 3.048 4.502 -8.864 1.00 2.84 H new ATOM 221 N ARG A 14 -0.144 6.829 -1.247 1.00 1.12 N ATOM 222 CA ARG A 14 -1.558 7.070 -1.007 1.00 1.08 C ATOM 223 C ARG A 14 -1.815 8.570 -0.857 1.00 1.26 C ATOM 224 O ARG A 14 -2.766 9.092 -1.440 1.00 1.26 O ATOM 225 CB ARG A 14 -2.038 6.304 0.231 1.00 1.10 C ATOM 226 CG ARG A 14 -3.571 6.376 0.307 1.00 1.05 C ATOM 227 CD ARG A 14 -4.116 5.837 1.627 1.00 1.19 C ATOM 228 NE ARG A 14 -3.622 6.624 2.762 1.00 1.79 N ATOM 229 CZ ARG A 14 -4.188 7.685 3.348 1.00 3.20 C ATOM 230 NH1 ARG A 14 -5.250 8.286 2.805 1.00 4.23 N ATOM 231 NH2 ARG A 14 -3.658 8.136 4.485 1.00 4.14 N ATOM 0 H ARG A 14 0.294 6.199 -0.575 1.00 1.12 H new ATOM 0 HA ARG A 14 -2.126 6.705 -1.863 1.00 1.08 H new ATOM 0 HB2 ARG A 14 -1.713 5.265 0.179 1.00 1.10 H new ATOM 0 HB3 ARG A 14 -1.597 6.731 1.131 1.00 1.10 H new ATOM 0 HG2 ARG A 14 -3.890 7.411 0.181 1.00 1.05 H new ATOM 0 HG3 ARG A 14 -4.000 5.808 -0.519 1.00 1.05 H new ATOM 0 HD2 ARG A 14 -5.206 5.860 1.611 1.00 1.19 H new ATOM 0 HD3 ARG A 14 -3.821 4.795 1.747 1.00 1.19 H new ATOM 0 HE ARG A 14 -2.731 6.323 3.156 1.00 1.79 H new ATOM 0 HH11 ARG A 14 -5.642 7.937 1.930 1.00 4.23 H new ATOM 0 HH12 ARG A 14 -5.669 9.094 3.265 1.00 4.23 H new ATOM 0 HH21 ARG A 14 -2.842 7.674 4.886 1.00 4.14 H new ATOM 0 HH22 ARG A 14 -4.069 8.943 4.954 1.00 4.14 H new ATOM 245 N LYS A 15 -0.975 9.262 -0.079 1.00 1.43 N ATOM 246 CA LYS A 15 -1.074 10.705 0.080 1.00 1.58 C ATOM 247 C LYS A 15 -0.852 11.418 -1.260 1.00 1.62 C ATOM 248 O LYS A 15 -1.600 12.335 -1.591 1.00 1.71 O ATOM 249 CB LYS A 15 -0.089 11.172 1.163 1.00 1.66 C ATOM 250 CG LYS A 15 -0.227 12.669 1.478 1.00 2.09 C ATOM 251 CD LYS A 15 0.747 13.053 2.602 1.00 2.78 C ATOM 252 CE LYS A 15 0.808 14.569 2.852 1.00 3.88 C ATOM 253 NZ LYS A 15 -0.470 15.125 3.343 1.00 5.19 N ATOM 0 H LYS A 15 -0.215 8.835 0.452 1.00 1.43 H new ATOM 0 HA LYS A 15 -2.080 10.968 0.408 1.00 1.58 H new ATOM 0 HB2 LYS A 15 -0.255 10.596 2.073 1.00 1.66 H new ATOM 0 HB3 LYS A 15 0.930 10.965 0.836 1.00 1.66 H new ATOM 0 HG2 LYS A 15 -0.019 13.259 0.586 1.00 2.09 H new ATOM 0 HG3 LYS A 15 -1.250 12.895 1.778 1.00 2.09 H new ATOM 0 HD2 LYS A 15 0.448 12.550 3.522 1.00 2.78 H new ATOM 0 HD3 LYS A 15 1.744 12.691 2.351 1.00 2.78 H new ATOM 0 HE2 LYS A 15 1.593 14.781 3.578 1.00 3.88 H new ATOM 0 HE3 LYS A 15 1.086 15.073 1.926 1.00 3.88 H new ATOM 0 HZ1 LYS A 15 -0.368 16.149 3.493 1.00 5.19 H new ATOM 0 HZ2 LYS A 15 -1.217 14.951 2.641 1.00 5.19 H new ATOM 0 HZ3 LYS A 15 -0.726 14.667 4.241 1.00 5.19 H new ATOM 267 N LYS A 16 0.166 11.011 -2.025 1.00 1.61 N ATOM 268 CA LYS A 16 0.488 11.588 -3.327 1.00 1.69 C ATOM 269 C LYS A 16 -0.723 11.499 -4.260 1.00 1.54 C ATOM 270 O LYS A 16 -1.095 12.473 -4.912 1.00 1.60 O ATOM 271 CB LYS A 16 1.707 10.867 -3.935 1.00 1.78 C ATOM 272 CG LYS A 16 2.341 11.679 -5.075 1.00 2.11 C ATOM 273 CD LYS A 16 3.570 10.930 -5.616 1.00 2.34 C ATOM 274 CE LYS A 16 4.240 11.633 -6.807 1.00 2.97 C ATOM 275 NZ LYS A 16 4.878 12.916 -6.440 1.00 4.23 N ATOM 0 H LYS A 16 0.798 10.259 -1.749 1.00 1.61 H new ATOM 0 HA LYS A 16 0.740 12.641 -3.199 1.00 1.69 H new ATOM 0 HB2 LYS A 16 2.450 10.691 -3.157 1.00 1.78 H new ATOM 0 HB3 LYS A 16 1.401 9.890 -4.311 1.00 1.78 H new ATOM 0 HG2 LYS A 16 1.615 11.833 -5.873 1.00 2.11 H new ATOM 0 HG3 LYS A 16 2.633 12.666 -4.715 1.00 2.11 H new ATOM 0 HD2 LYS A 16 4.299 10.817 -4.814 1.00 2.34 H new ATOM 0 HD3 LYS A 16 3.270 9.926 -5.918 1.00 2.34 H new ATOM 0 HE2 LYS A 16 4.991 10.970 -7.236 1.00 2.97 H new ATOM 0 HE3 LYS A 16 3.494 11.813 -7.581 1.00 2.97 H new ATOM 0 HZ1 LYS A 16 5.312 13.342 -7.284 1.00 4.23 H new ATOM 0 HZ2 LYS A 16 4.160 13.563 -6.056 1.00 4.23 H new ATOM 0 HZ3 LYS A 16 5.611 12.746 -5.722 1.00 4.23 H new ATOM 289 N LEU A 17 -1.324 10.311 -4.322 1.00 1.35 N ATOM 290 CA LEU A 17 -2.486 10.020 -5.146 1.00 1.22 C ATOM 291 C LEU A 17 -3.744 10.667 -4.555 1.00 1.12 C ATOM 292 O LEU A 17 -4.662 11.001 -5.298 1.00 1.12 O ATOM 293 CB LEU A 17 -2.641 8.499 -5.268 1.00 1.21 C ATOM 294 CG LEU A 17 -1.447 7.817 -5.963 1.00 1.39 C ATOM 295 CD1 LEU A 17 -1.467 6.314 -5.669 1.00 1.54 C ATOM 296 CD2 LEU A 17 -1.476 8.044 -7.479 1.00 1.46 C ATOM 0 H LEU A 17 -1.004 9.506 -3.784 1.00 1.35 H new ATOM 0 HA LEU A 17 -2.346 10.442 -6.141 1.00 1.22 H new ATOM 0 HB2 LEU A 17 -2.765 8.073 -4.272 1.00 1.21 H new ATOM 0 HB3 LEU A 17 -3.551 8.277 -5.825 1.00 1.21 H new ATOM 0 HG LEU A 17 -0.532 8.260 -5.571 1.00 1.39 H new ATOM 0 HD11 LEU A 17 -0.621 5.835 -6.162 1.00 1.54 H new ATOM 0 HD12 LEU A 17 -1.398 6.153 -4.593 1.00 1.54 H new ATOM 0 HD13 LEU A 17 -2.396 5.883 -6.042 1.00 1.54 H new ATOM 0 HD21 LEU A 17 -0.620 7.549 -7.937 1.00 1.46 H new ATOM 0 HD22 LEU A 17 -2.397 7.631 -7.891 1.00 1.46 H new ATOM 0 HD23 LEU A 17 -1.432 9.113 -7.688 1.00 1.46 H new ATOM 308 N LYS A 18 -3.766 10.856 -3.230 1.00 1.15 N ATOM 309 CA LYS A 18 -4.820 11.479 -2.435 1.00 1.10 C ATOM 310 C LYS A 18 -5.997 10.514 -2.270 1.00 0.99 C ATOM 311 O LYS A 18 -7.156 10.907 -2.381 1.00 0.95 O ATOM 312 CB LYS A 18 -5.249 12.844 -3.006 1.00 1.13 C ATOM 313 CG LYS A 18 -4.065 13.806 -3.209 1.00 1.26 C ATOM 314 CD LYS A 18 -4.360 14.863 -4.284 1.00 1.50 C ATOM 315 CE LYS A 18 -4.288 14.248 -5.694 1.00 1.99 C ATOM 316 NZ LYS A 18 -4.459 15.257 -6.758 1.00 2.96 N ATOM 0 H LYS A 18 -2.987 10.553 -2.646 1.00 1.15 H new ATOM 0 HA LYS A 18 -4.420 11.689 -1.443 1.00 1.10 H new ATOM 0 HB2 LYS A 18 -5.754 12.691 -3.960 1.00 1.13 H new ATOM 0 HB3 LYS A 18 -5.972 13.303 -2.332 1.00 1.13 H new ATOM 0 HG2 LYS A 18 -3.835 14.302 -2.266 1.00 1.26 H new ATOM 0 HG3 LYS A 18 -3.180 13.237 -3.493 1.00 1.26 H new ATOM 0 HD2 LYS A 18 -5.350 15.289 -4.119 1.00 1.50 H new ATOM 0 HD3 LYS A 18 -3.643 15.680 -4.202 1.00 1.50 H new ATOM 0 HE2 LYS A 18 -3.327 13.749 -5.821 1.00 1.99 H new ATOM 0 HE3 LYS A 18 -5.059 13.484 -5.794 1.00 1.99 H new ATOM 0 HZ1 LYS A 18 -4.403 14.794 -7.688 1.00 2.96 H new ATOM 0 HZ2 LYS A 18 -5.387 15.716 -6.655 1.00 2.96 H new ATOM 0 HZ3 LYS A 18 -3.708 15.973 -6.682 1.00 2.96 H new ATOM 330 N ILE A 19 -5.698 9.240 -2.000 1.00 0.99 N ATOM 331 CA ILE A 19 -6.709 8.183 -1.966 1.00 0.88 C ATOM 332 C ILE A 19 -7.161 7.948 -0.517 1.00 0.92 C ATOM 333 O ILE A 19 -6.333 7.846 0.388 1.00 1.05 O ATOM 334 CB ILE A 19 -6.154 6.916 -2.652 1.00 0.82 C ATOM 335 CG1 ILE A 19 -5.894 7.192 -4.145 1.00 0.87 C ATOM 336 CG2 ILE A 19 -7.124 5.734 -2.518 1.00 0.83 C ATOM 337 CD1 ILE A 19 -5.138 6.055 -4.842 1.00 0.88 C ATOM 0 H ILE A 19 -4.752 8.915 -1.800 1.00 0.99 H new ATOM 0 HA ILE A 19 -7.597 8.478 -2.525 1.00 0.88 H new ATOM 0 HB ILE A 19 -5.220 6.655 -2.155 1.00 0.82 H new ATOM 0 HG12 ILE A 19 -6.846 7.351 -4.651 1.00 0.87 H new ATOM 0 HG13 ILE A 19 -5.323 8.115 -4.244 1.00 0.87 H new ATOM 0 HG21 ILE A 19 -6.702 4.859 -3.012 1.00 0.83 H new ATOM 0 HG22 ILE A 19 -7.284 5.513 -1.463 1.00 0.83 H new ATOM 0 HG23 ILE A 19 -8.076 5.990 -2.984 1.00 0.83 H new ATOM 0 HD11 ILE A 19 -4.985 6.309 -5.891 1.00 0.88 H new ATOM 0 HD12 ILE A 19 -4.171 5.911 -4.359 1.00 0.88 H new ATOM 0 HD13 ILE A 19 -5.719 5.135 -4.772 1.00 0.88 H new ATOM 349 N ARG A 20 -8.473 7.855 -0.270 1.00 0.94 N ATOM 350 CA ARG A 20 -8.998 7.498 1.047 1.00 1.04 C ATOM 351 C ARG A 20 -8.609 6.058 1.393 1.00 0.88 C ATOM 352 O ARG A 20 -8.716 5.168 0.552 1.00 0.77 O ATOM 353 CB ARG A 20 -10.528 7.636 1.078 1.00 1.21 C ATOM 354 CG ARG A 20 -11.025 9.089 1.126 1.00 1.71 C ATOM 355 CD ARG A 20 -10.745 9.806 2.460 1.00 3.07 C ATOM 356 NE ARG A 20 -11.219 9.055 3.640 1.00 4.70 N ATOM 357 CZ ARG A 20 -12.490 8.978 4.075 1.00 5.72 C ATOM 358 NH1 ARG A 20 -13.467 9.585 3.395 1.00 5.27 N ATOM 359 NH2 ARG A 20 -12.776 8.291 5.189 1.00 7.63 N ATOM 0 H ARG A 20 -9.193 8.024 -0.973 1.00 0.94 H new ATOM 0 HA ARG A 20 -8.568 8.179 1.782 1.00 1.04 H new ATOM 0 HB2 ARG A 20 -10.944 7.150 0.196 1.00 1.21 H new ATOM 0 HB3 ARG A 20 -10.913 7.103 1.947 1.00 1.21 H new ATOM 0 HG2 ARG A 20 -10.554 9.650 0.319 1.00 1.71 H new ATOM 0 HG3 ARG A 20 -12.099 9.101 0.938 1.00 1.71 H new ATOM 0 HD2 ARG A 20 -9.673 9.977 2.554 1.00 3.07 H new ATOM 0 HD3 ARG A 20 -11.224 10.785 2.445 1.00 3.07 H new ATOM 0 HE ARG A 20 -10.516 8.546 4.176 1.00 4.70 H new ATOM 0 HH11 ARG A 20 -13.249 10.107 2.546 1.00 5.27 H new ATOM 0 HH12 ARG A 20 -14.430 9.527 3.725 1.00 5.27 H new ATOM 0 HH21 ARG A 20 -12.030 7.826 5.707 1.00 7.63 H new ATOM 0 HH22 ARG A 20 -13.739 8.233 5.519 1.00 7.63 H new ATOM 373 N GLN A 21 -8.209 5.816 2.645 1.00 0.93 N ATOM 374 CA GLN A 21 -7.785 4.502 3.114 1.00 0.88 C ATOM 375 C GLN A 21 -8.764 3.402 2.705 1.00 0.78 C ATOM 376 O GLN A 21 -8.350 2.377 2.185 1.00 0.71 O ATOM 377 CB GLN A 21 -7.675 4.499 4.640 1.00 1.12 C ATOM 378 CG GLN A 21 -6.638 5.464 5.218 1.00 1.39 C ATOM 379 CD GLN A 21 -6.547 5.265 6.730 1.00 1.98 C ATOM 380 OE1 GLN A 21 -7.569 5.271 7.413 1.00 3.53 O ATOM 381 NE2 GLN A 21 -5.349 5.053 7.256 1.00 1.32 N ATOM 0 H GLN A 21 -8.172 6.537 3.365 1.00 0.93 H new ATOM 0 HA GLN A 21 -6.817 4.300 2.654 1.00 0.88 H new ATOM 0 HB2 GLN A 21 -8.651 4.745 5.060 1.00 1.12 H new ATOM 0 HB3 GLN A 21 -7.432 3.489 4.969 1.00 1.12 H new ATOM 0 HG2 GLN A 21 -5.666 5.289 4.758 1.00 1.39 H new ATOM 0 HG3 GLN A 21 -6.917 6.493 4.992 1.00 1.39 H new ATOM 0 HE21 GLN A 21 -4.522 5.055 6.659 1.00 1.32 H new ATOM 0 HE22 GLN A 21 -5.254 4.888 8.258 1.00 1.32 H new ATOM 390 N ALA A 22 -10.063 3.602 2.934 1.00 0.87 N ATOM 391 CA ALA A 22 -11.078 2.608 2.597 1.00 0.92 C ATOM 392 C ALA A 22 -11.219 2.405 1.083 1.00 0.77 C ATOM 393 O ALA A 22 -11.639 1.335 0.629 1.00 0.97 O ATOM 394 CB ALA A 22 -12.413 3.020 3.215 1.00 1.15 C ATOM 0 H ALA A 22 -10.437 4.452 3.355 1.00 0.87 H new ATOM 0 HA ALA A 22 -10.761 1.650 3.009 1.00 0.92 H new ATOM 0 HB1 ALA A 22 -13.173 2.280 2.965 1.00 1.15 H new ATOM 0 HB2 ALA A 22 -12.309 3.082 4.298 1.00 1.15 H new ATOM 0 HB3 ALA A 22 -12.711 3.993 2.823 1.00 1.15 H new ATOM 400 N ALA A 23 -10.909 3.429 0.281 1.00 0.60 N ATOM 401 CA ALA A 23 -10.875 3.283 -1.166 1.00 0.54 C ATOM 402 C ALA A 23 -9.676 2.414 -1.526 1.00 0.48 C ATOM 403 O ALA A 23 -9.835 1.394 -2.198 1.00 0.50 O ATOM 404 CB ALA A 23 -10.836 4.649 -1.858 1.00 0.54 C ATOM 0 H ALA A 23 -10.679 4.365 0.615 1.00 0.60 H new ATOM 0 HA ALA A 23 -11.784 2.797 -1.519 1.00 0.54 H new ATOM 0 HB1 ALA A 23 -10.811 4.509 -2.939 1.00 0.54 H new ATOM 0 HB2 ALA A 23 -11.724 5.220 -1.587 1.00 0.54 H new ATOM 0 HB3 ALA A 23 -9.945 5.192 -1.542 1.00 0.54 H new ATOM 410 N LEU A 24 -8.490 2.791 -1.031 1.00 0.45 N ATOM 411 CA LEU A 24 -7.275 2.028 -1.276 1.00 0.44 C ATOM 412 C LEU A 24 -7.480 0.576 -0.847 1.00 0.43 C ATOM 413 O LEU A 24 -7.190 -0.334 -1.609 1.00 0.49 O ATOM 414 CB LEU A 24 -6.057 2.648 -0.563 1.00 0.48 C ATOM 415 CG LEU A 24 -4.734 1.949 -0.946 1.00 0.56 C ATOM 416 CD1 LEU A 24 -4.407 2.016 -2.444 1.00 0.83 C ATOM 417 CD2 LEU A 24 -3.549 2.562 -0.197 1.00 1.17 C ATOM 0 H LEU A 24 -8.354 3.623 -0.458 1.00 0.45 H new ATOM 0 HA LEU A 24 -7.065 2.056 -2.345 1.00 0.44 H new ATOM 0 HB2 LEU A 24 -5.992 3.707 -0.814 1.00 0.48 H new ATOM 0 HB3 LEU A 24 -6.199 2.585 0.516 1.00 0.48 H new ATOM 0 HG LEU A 24 -4.886 0.906 -0.669 1.00 0.56 H new ATOM 0 HD11 LEU A 24 -3.464 1.504 -2.634 1.00 0.83 H new ATOM 0 HD12 LEU A 24 -5.203 1.534 -3.012 1.00 0.83 H new ATOM 0 HD13 LEU A 24 -4.322 3.058 -2.752 1.00 0.83 H new ATOM 0 HD21 LEU A 24 -2.631 2.050 -0.487 1.00 1.17 H new ATOM 0 HD22 LEU A 24 -3.469 3.620 -0.447 1.00 1.17 H new ATOM 0 HD23 LEU A 24 -3.702 2.453 0.877 1.00 1.17 H new ATOM 429 N GLY A 25 -8.009 0.360 0.357 1.00 0.42 N ATOM 430 CA GLY A 25 -8.271 -0.950 0.923 1.00 0.45 C ATOM 431 C GLY A 25 -8.989 -1.833 -0.084 1.00 0.56 C ATOM 432 O GLY A 25 -8.482 -2.887 -0.457 1.00 0.64 O ATOM 0 H GLY A 25 -8.274 1.122 0.981 1.00 0.42 H new ATOM 0 HA2 GLY A 25 -7.333 -1.418 1.221 1.00 0.45 H new ATOM 0 HA3 GLY A 25 -8.877 -0.849 1.823 1.00 0.45 H new ATOM 436 N LYS A 26 -10.148 -1.382 -0.563 1.00 0.62 N ATOM 437 CA LYS A 26 -10.905 -2.149 -1.538 1.00 0.77 C ATOM 438 C LYS A 26 -10.136 -2.307 -2.855 1.00 0.75 C ATOM 439 O LYS A 26 -10.104 -3.404 -3.407 1.00 0.93 O ATOM 440 CB LYS A 26 -12.292 -1.528 -1.735 1.00 0.87 C ATOM 441 CG LYS A 26 -13.149 -1.758 -0.477 1.00 2.04 C ATOM 442 CD LYS A 26 -14.604 -1.294 -0.650 1.00 2.34 C ATOM 443 CE LYS A 26 -14.852 0.150 -0.194 1.00 3.15 C ATOM 444 NZ LYS A 26 -13.908 1.107 -0.799 1.00 4.00 N ATOM 0 H LYS A 26 -10.576 -0.497 -0.292 1.00 0.62 H new ATOM 0 HA LYS A 26 -11.048 -3.159 -1.153 1.00 0.77 H new ATOM 0 HB2 LYS A 26 -12.198 -0.460 -1.932 1.00 0.87 H new ATOM 0 HB3 LYS A 26 -12.779 -1.971 -2.604 1.00 0.87 H new ATOM 0 HG2 LYS A 26 -13.139 -2.819 -0.226 1.00 2.04 H new ATOM 0 HG3 LYS A 26 -12.701 -1.227 0.363 1.00 2.04 H new ATOM 0 HD2 LYS A 26 -14.883 -1.387 -1.700 1.00 2.34 H new ATOM 0 HD3 LYS A 26 -15.257 -1.960 -0.087 1.00 2.34 H new ATOM 0 HE2 LYS A 26 -15.871 0.438 -0.452 1.00 3.15 H new ATOM 0 HE3 LYS A 26 -14.771 0.203 0.892 1.00 3.15 H new ATOM 0 HZ1 LYS A 26 -14.211 2.078 -0.581 1.00 4.00 H new ATOM 0 HZ2 LYS A 26 -12.956 0.946 -0.413 1.00 4.00 H new ATOM 0 HZ3 LYS A 26 -13.891 0.973 -1.830 1.00 4.00 H new ATOM 458 N MET A 27 -9.514 -1.241 -3.373 1.00 0.62 N ATOM 459 CA MET A 27 -8.835 -1.321 -4.664 1.00 0.68 C ATOM 460 C MET A 27 -7.574 -2.203 -4.588 1.00 0.84 C ATOM 461 O MET A 27 -7.131 -2.757 -5.596 1.00 1.23 O ATOM 462 CB MET A 27 -8.607 0.091 -5.234 1.00 0.84 C ATOM 463 CG MET A 27 -7.204 0.640 -4.999 1.00 1.43 C ATOM 464 SD MET A 27 -6.845 2.284 -5.677 1.00 1.38 S ATOM 465 CE MET A 27 -8.241 3.270 -5.090 1.00 1.61 C ATOM 0 H MET A 27 -9.469 -0.327 -2.923 1.00 0.62 H new ATOM 0 HA MET A 27 -9.476 -1.831 -5.383 1.00 0.68 H new ATOM 0 HB2 MET A 27 -8.804 0.074 -6.306 1.00 0.84 H new ATOM 0 HB3 MET A 27 -9.331 0.772 -4.788 1.00 0.84 H new ATOM 0 HG2 MET A 27 -7.026 0.670 -3.924 1.00 1.43 H new ATOM 0 HG3 MET A 27 -6.488 -0.065 -5.421 1.00 1.43 H new ATOM 0 HE1 MET A 27 -8.049 4.325 -5.286 1.00 1.61 H new ATOM 0 HE2 MET A 27 -9.148 2.963 -5.611 1.00 1.61 H new ATOM 0 HE3 MET A 27 -8.369 3.117 -4.018 1.00 1.61 H new ATOM 475 N VAL A 28 -6.976 -2.338 -3.400 1.00 0.62 N ATOM 476 CA VAL A 28 -5.939 -3.315 -3.119 1.00 0.68 C ATOM 477 C VAL A 28 -6.617 -4.678 -3.068 1.00 0.82 C ATOM 478 O VAL A 28 -6.445 -5.480 -3.989 1.00 1.13 O ATOM 479 CB VAL A 28 -5.192 -2.975 -1.813 1.00 0.52 C ATOM 480 CG1 VAL A 28 -4.212 -4.082 -1.402 1.00 0.52 C ATOM 481 CG2 VAL A 28 -4.357 -1.710 -2.002 1.00 0.55 C ATOM 0 H VAL A 28 -7.210 -1.756 -2.596 1.00 0.62 H new ATOM 0 HA VAL A 28 -5.175 -3.313 -3.896 1.00 0.68 H new ATOM 0 HB VAL A 28 -5.957 -2.851 -1.046 1.00 0.52 H new ATOM 0 HG11 VAL A 28 -3.709 -3.798 -0.477 1.00 0.52 H new ATOM 0 HG12 VAL A 28 -4.758 -5.012 -1.247 1.00 0.52 H new ATOM 0 HG13 VAL A 28 -3.471 -4.223 -2.189 1.00 0.52 H new ATOM 0 HG21 VAL A 28 -3.833 -1.478 -1.075 1.00 0.55 H new ATOM 0 HG22 VAL A 28 -3.631 -1.869 -2.799 1.00 0.55 H new ATOM 0 HG23 VAL A 28 -5.010 -0.879 -2.267 1.00 0.55 H new ATOM 491 N GLY A 29 -7.367 -4.886 -1.988 1.00 0.83 N ATOM 492 CA GLY A 29 -7.918 -6.146 -1.524 1.00 1.03 C ATOM 493 C GLY A 29 -7.579 -6.348 -0.042 1.00 0.90 C ATOM 494 O GLY A 29 -7.161 -7.436 0.345 1.00 1.05 O ATOM 0 H GLY A 29 -7.622 -4.115 -1.371 1.00 0.83 H new ATOM 0 HA2 GLY A 29 -8.999 -6.154 -1.663 1.00 1.03 H new ATOM 0 HA3 GLY A 29 -7.515 -6.969 -2.114 1.00 1.03 H new ATOM 498 N VAL A 30 -7.757 -5.311 0.789 1.00 0.67 N ATOM 499 CA VAL A 30 -7.626 -5.373 2.243 1.00 0.61 C ATOM 500 C VAL A 30 -8.659 -4.429 2.881 1.00 0.60 C ATOM 501 O VAL A 30 -9.392 -3.738 2.174 1.00 0.62 O ATOM 502 CB VAL A 30 -6.204 -5.012 2.718 1.00 0.55 C ATOM 503 CG1 VAL A 30 -5.057 -5.837 2.140 1.00 0.67 C ATOM 504 CG2 VAL A 30 -5.848 -3.545 2.475 1.00 0.50 C ATOM 0 H VAL A 30 -8.003 -4.380 0.453 1.00 0.67 H new ATOM 0 HA VAL A 30 -7.812 -6.400 2.557 1.00 0.61 H new ATOM 0 HB VAL A 30 -6.282 -5.244 3.780 1.00 0.55 H new ATOM 0 HG11 VAL A 30 -4.112 -5.485 2.552 1.00 0.67 H new ATOM 0 HG12 VAL A 30 -5.197 -6.887 2.399 1.00 0.67 H new ATOM 0 HG13 VAL A 30 -5.042 -5.730 1.055 1.00 0.67 H new ATOM 0 HG21 VAL A 30 -4.836 -3.353 2.830 1.00 0.50 H new ATOM 0 HG22 VAL A 30 -5.906 -3.329 1.408 1.00 0.50 H new ATOM 0 HG23 VAL A 30 -6.549 -2.907 3.013 1.00 0.50 H new ATOM 514 N SER A 31 -8.708 -4.366 4.216 1.00 0.67 N ATOM 515 CA SER A 31 -9.573 -3.447 4.942 1.00 0.66 C ATOM 516 C SER A 31 -8.948 -2.050 5.048 1.00 0.63 C ATOM 517 O SER A 31 -7.730 -1.886 4.958 1.00 0.76 O ATOM 518 CB SER A 31 -9.842 -4.031 6.335 1.00 0.69 C ATOM 519 OG SER A 31 -8.627 -4.155 7.054 1.00 0.75 O ATOM 0 H SER A 31 -8.141 -4.959 4.822 1.00 0.67 H new ATOM 0 HA SER A 31 -10.511 -3.332 4.399 1.00 0.66 H new ATOM 0 HB2 SER A 31 -10.532 -3.388 6.880 1.00 0.69 H new ATOM 0 HB3 SER A 31 -10.320 -5.006 6.243 1.00 0.69 H new ATOM 0 HG SER A 31 -8.809 -4.527 7.942 1.00 0.75 H new ATOM 525 N ASN A 32 -9.784 -1.041 5.326 1.00 0.59 N ATOM 526 CA ASN A 32 -9.323 0.285 5.735 1.00 0.66 C ATOM 527 C ASN A 32 -8.291 0.135 6.852 1.00 0.65 C ATOM 528 O ASN A 32 -7.249 0.792 6.823 1.00 0.70 O ATOM 529 CB ASN A 32 -10.519 1.130 6.215 1.00 0.76 C ATOM 530 CG ASN A 32 -10.220 2.599 6.564 1.00 1.70 C ATOM 531 OD1 ASN A 32 -11.086 3.452 6.402 1.00 3.05 O ATOM 532 ND2 ASN A 32 -9.032 2.943 7.048 1.00 2.71 N ATOM 0 H ASN A 32 -10.799 -1.125 5.273 1.00 0.59 H new ATOM 0 HA ASN A 32 -8.861 0.792 4.888 1.00 0.66 H new ATOM 0 HB2 ASN A 32 -11.284 1.112 5.439 1.00 0.76 H new ATOM 0 HB3 ASN A 32 -10.946 0.649 7.095 1.00 0.76 H new ATOM 0 HD21 ASN A 32 -8.840 3.916 7.285 1.00 2.71 H new ATOM 0 HD22 ASN A 32 -8.311 2.234 7.183 1.00 2.71 H new ATOM 539 N VAL A 33 -8.598 -0.678 7.865 1.00 0.63 N ATOM 540 CA VAL A 33 -7.692 -0.857 8.985 1.00 0.68 C ATOM 541 C VAL A 33 -6.370 -1.416 8.485 1.00 0.64 C ATOM 542 O VAL A 33 -5.336 -0.857 8.821 1.00 0.73 O ATOM 543 CB VAL A 33 -8.319 -1.712 10.094 1.00 0.72 C ATOM 544 CG1 VAL A 33 -7.271 -2.064 11.168 1.00 0.86 C ATOM 545 CG2 VAL A 33 -9.471 -0.914 10.721 1.00 0.84 C ATOM 0 H VAL A 33 -9.462 -1.216 7.927 1.00 0.63 H new ATOM 0 HA VAL A 33 -7.495 0.113 9.442 1.00 0.68 H new ATOM 0 HB VAL A 33 -8.691 -2.646 9.673 1.00 0.72 H new ATOM 0 HG11 VAL A 33 -7.736 -2.671 11.945 1.00 0.86 H new ATOM 0 HG12 VAL A 33 -6.455 -2.624 10.711 1.00 0.86 H new ATOM 0 HG13 VAL A 33 -6.880 -1.147 11.609 1.00 0.86 H new ATOM 0 HG21 VAL A 33 -9.933 -1.503 11.513 1.00 0.84 H new ATOM 0 HG22 VAL A 33 -9.085 0.016 11.138 1.00 0.84 H new ATOM 0 HG23 VAL A 33 -10.215 -0.687 9.957 1.00 0.84 H new ATOM 555 N ALA A 34 -6.380 -2.481 7.681 1.00 0.55 N ATOM 556 CA ALA A 34 -5.145 -3.063 7.176 1.00 0.53 C ATOM 557 C ALA A 34 -4.276 -2.006 6.485 1.00 0.54 C ATOM 558 O ALA A 34 -3.089 -1.892 6.793 1.00 0.59 O ATOM 559 CB ALA A 34 -5.467 -4.213 6.227 1.00 0.51 C ATOM 0 H ALA A 34 -7.229 -2.953 7.369 1.00 0.55 H new ATOM 0 HA ALA A 34 -4.573 -3.452 8.018 1.00 0.53 H new ATOM 0 HB1 ALA A 34 -4.540 -4.645 5.852 1.00 0.51 H new ATOM 0 HB2 ALA A 34 -6.034 -4.977 6.760 1.00 0.51 H new ATOM 0 HB3 ALA A 34 -6.058 -3.840 5.391 1.00 0.51 H new ATOM 565 N ILE A 35 -4.869 -1.196 5.595 1.00 0.52 N ATOM 566 CA ILE A 35 -4.144 -0.056 5.037 1.00 0.56 C ATOM 567 C ILE A 35 -3.577 0.799 6.171 1.00 0.66 C ATOM 568 O ILE A 35 -2.385 1.078 6.191 1.00 0.65 O ATOM 569 CB ILE A 35 -5.013 0.805 4.100 1.00 0.56 C ATOM 570 CG1 ILE A 35 -5.590 0.046 2.899 1.00 0.50 C ATOM 571 CG2 ILE A 35 -4.197 1.996 3.581 1.00 0.63 C ATOM 572 CD1 ILE A 35 -4.538 -0.553 1.959 1.00 0.49 C ATOM 0 H ILE A 35 -5.824 -1.308 5.256 1.00 0.52 H new ATOM 0 HA ILE A 35 -3.331 -0.454 4.430 1.00 0.56 H new ATOM 0 HB ILE A 35 -5.860 1.131 4.704 1.00 0.56 H new ATOM 0 HG12 ILE A 35 -6.230 -0.757 3.266 1.00 0.50 H new ATOM 0 HG13 ILE A 35 -6.225 0.724 2.328 1.00 0.50 H new ATOM 0 HG21 ILE A 35 -4.817 2.601 2.919 1.00 0.63 H new ATOM 0 HG22 ILE A 35 -3.865 2.604 4.423 1.00 0.63 H new ATOM 0 HG23 ILE A 35 -3.329 1.631 3.032 1.00 0.63 H new ATOM 0 HD11 ILE A 35 -5.035 -1.071 1.139 1.00 0.49 H new ATOM 0 HD12 ILE A 35 -3.912 0.244 1.558 1.00 0.49 H new ATOM 0 HD13 ILE A 35 -3.917 -1.259 2.510 1.00 0.49 H new ATOM 584 N SER A 36 -4.415 1.219 7.119 1.00 0.77 N ATOM 585 CA SER A 36 -3.975 2.090 8.201 1.00 0.94 C ATOM 586 C SER A 36 -2.812 1.482 9.001 1.00 0.96 C ATOM 587 O SER A 36 -1.900 2.206 9.392 1.00 1.11 O ATOM 588 CB SER A 36 -5.160 2.463 9.101 1.00 1.10 C ATOM 589 OG SER A 36 -4.927 3.720 9.713 1.00 1.44 O ATOM 0 H SER A 36 -5.403 0.968 7.157 1.00 0.77 H new ATOM 0 HA SER A 36 -3.587 3.006 7.756 1.00 0.94 H new ATOM 0 HB2 SER A 36 -6.077 2.500 8.512 1.00 1.10 H new ATOM 0 HB3 SER A 36 -5.302 1.698 9.865 1.00 1.10 H new ATOM 0 HG SER A 36 -4.031 4.039 9.475 1.00 1.44 H new ATOM 595 N GLN A 37 -2.844 0.169 9.256 1.00 0.89 N ATOM 596 CA GLN A 37 -1.798 -0.573 9.951 1.00 0.93 C ATOM 597 C GLN A 37 -0.484 -0.480 9.175 1.00 0.94 C ATOM 598 O GLN A 37 0.568 -0.209 9.761 1.00 1.05 O ATOM 599 CB GLN A 37 -2.216 -2.042 10.118 1.00 0.94 C ATOM 600 CG GLN A 37 -3.400 -2.221 11.078 1.00 1.00 C ATOM 601 CD GLN A 37 -3.011 -1.877 12.503 1.00 2.29 C ATOM 602 OE1 GLN A 37 -3.455 -0.868 13.052 1.00 3.82 O ATOM 603 NE2 GLN A 37 -2.150 -2.697 13.092 1.00 2.47 N ATOM 0 H GLN A 37 -3.626 -0.421 8.973 1.00 0.89 H new ATOM 0 HA GLN A 37 -1.652 -0.137 10.939 1.00 0.93 H new ATOM 0 HB2 GLN A 37 -2.480 -2.452 9.143 1.00 0.94 H new ATOM 0 HB3 GLN A 37 -1.366 -2.617 10.486 1.00 0.94 H new ATOM 0 HG2 GLN A 37 -4.227 -1.586 10.761 1.00 1.00 H new ATOM 0 HG3 GLN A 37 -3.754 -3.251 11.034 1.00 1.00 H new ATOM 0 HE21 GLN A 37 -1.810 -3.521 12.597 1.00 2.47 H new ATOM 0 HE22 GLN A 37 -1.828 -2.503 14.040 1.00 2.47 H new ATOM 612 N TRP A 38 -0.565 -0.694 7.858 1.00 0.88 N ATOM 613 CA TRP A 38 0.563 -0.505 6.963 1.00 0.97 C ATOM 614 C TRP A 38 1.065 0.937 7.058 1.00 1.10 C ATOM 615 O TRP A 38 2.227 1.163 7.382 1.00 1.30 O ATOM 616 CB TRP A 38 0.175 -0.927 5.538 1.00 0.87 C ATOM 617 CG TRP A 38 -0.173 -2.369 5.335 1.00 0.84 C ATOM 618 CD1 TRP A 38 0.145 -3.421 6.123 1.00 0.91 C ATOM 619 CD2 TRP A 38 -0.871 -2.930 4.196 1.00 0.76 C ATOM 620 NE1 TRP A 38 -0.305 -4.590 5.538 1.00 0.88 N ATOM 621 CE2 TRP A 38 -0.932 -4.342 4.334 1.00 0.78 C ATOM 622 CE3 TRP A 38 -1.411 -2.371 3.028 1.00 0.69 C ATOM 623 CZ2 TRP A 38 -1.509 -5.156 3.349 1.00 0.74 C ATOM 624 CZ3 TRP A 38 -1.936 -3.166 2.003 1.00 0.65 C ATOM 625 CH2 TRP A 38 -2.003 -4.562 2.172 1.00 0.67 C ATOM 0 H TRP A 38 -1.417 -1.003 7.390 1.00 0.88 H new ATOM 0 HA TRP A 38 1.395 -1.143 7.259 1.00 0.97 H new ATOM 0 HB2 TRP A 38 -0.677 -0.324 5.225 1.00 0.87 H new ATOM 0 HB3 TRP A 38 1.002 -0.680 4.873 1.00 0.87 H new ATOM 0 HD1 TRP A 38 0.670 -3.358 7.065 1.00 0.91 H new ATOM 0 HE1 TRP A 38 -0.188 -5.518 5.945 1.00 0.88 H new ATOM 0 HE3 TRP A 38 -1.422 -1.297 2.917 1.00 0.69 H new ATOM 0 HZ2 TRP A 38 -1.574 -6.225 3.491 1.00 0.74 H new ATOM 0 HZ3 TRP A 38 -2.287 -2.712 1.088 1.00 0.65 H new ATOM 0 HH2 TRP A 38 -2.434 -5.179 1.397 1.00 0.67 H new ATOM 636 N GLU A 39 0.199 1.929 6.837 1.00 1.06 N ATOM 637 CA GLU A 39 0.590 3.329 6.895 1.00 1.26 C ATOM 638 C GLU A 39 1.298 3.667 8.200 1.00 1.33 C ATOM 639 O GLU A 39 2.431 4.148 8.180 1.00 1.23 O ATOM 640 CB GLU A 39 -0.615 4.248 6.726 1.00 1.42 C ATOM 641 CG GLU A 39 -1.181 4.172 5.314 1.00 1.70 C ATOM 642 CD GLU A 39 -2.155 5.309 5.125 1.00 1.89 C ATOM 643 OE1 GLU A 39 -3.335 5.152 5.492 1.00 2.82 O ATOM 644 OE2 GLU A 39 -1.733 6.364 4.601 1.00 2.17 O ATOM 0 H GLU A 39 -0.785 1.780 6.615 1.00 1.06 H new ATOM 0 HA GLU A 39 1.284 3.490 6.070 1.00 1.26 H new ATOM 0 HB2 GLU A 39 -1.387 3.973 7.444 1.00 1.42 H new ATOM 0 HB3 GLU A 39 -0.325 5.275 6.948 1.00 1.42 H new ATOM 0 HG2 GLU A 39 -0.378 4.236 4.580 1.00 1.70 H new ATOM 0 HG3 GLU A 39 -1.680 3.216 5.157 1.00 1.70 H new ATOM 651 N ARG A 40 0.652 3.420 9.342 1.00 1.64 N ATOM 652 CA ARG A 40 1.256 3.719 10.636 1.00 1.83 C ATOM 653 C ARG A 40 2.398 2.755 10.975 1.00 1.78 C ATOM 654 O ARG A 40 2.990 2.869 12.044 1.00 2.00 O ATOM 655 CB ARG A 40 0.191 3.839 11.733 1.00 2.21 C ATOM 656 CG ARG A 40 -0.339 2.497 12.247 1.00 1.66 C ATOM 657 CD ARG A 40 -1.615 2.751 13.063 1.00 2.27 C ATOM 658 NE ARG A 40 -2.131 1.524 13.689 1.00 3.57 N ATOM 659 CZ ARG A 40 -1.622 0.940 14.783 1.00 4.50 C ATOM 660 NH1 ARG A 40 -0.532 1.434 15.372 1.00 4.69 N ATOM 661 NH2 ARG A 40 -2.197 -0.162 15.256 1.00 6.11 N ATOM 0 H ARG A 40 -0.283 3.016 9.394 1.00 1.64 H new ATOM 0 HA ARG A 40 1.727 4.700 10.572 1.00 1.83 H new ATOM 0 HB2 ARG A 40 0.611 4.396 12.571 1.00 2.21 H new ATOM 0 HB3 ARG A 40 -0.645 4.423 11.349 1.00 2.21 H new ATOM 0 HG2 ARG A 40 -0.551 1.830 11.412 1.00 1.66 H new ATOM 0 HG3 ARG A 40 0.413 2.005 12.865 1.00 1.66 H new ATOM 0 HD2 ARG A 40 -1.408 3.491 13.836 1.00 2.27 H new ATOM 0 HD3 ARG A 40 -2.381 3.174 12.413 1.00 2.27 H new ATOM 0 HE ARG A 40 -2.942 1.082 13.256 1.00 3.57 H new ATOM 0 HH11 ARG A 40 -0.078 2.264 14.990 1.00 4.69 H new ATOM 0 HH12 ARG A 40 -0.153 0.982 16.204 1.00 4.69 H new ATOM 0 HH21 ARG A 40 -3.015 -0.552 14.787 1.00 6.11 H new ATOM 0 HH22 ARG A 40 -1.820 -0.617 16.088 1.00 6.11 H new ATOM 675 N SER A 41 2.749 1.854 10.049 1.00 1.84 N ATOM 676 CA SER A 41 4.006 1.135 10.040 1.00 2.37 C ATOM 677 C SER A 41 4.067 0.134 11.194 1.00 2.04 C ATOM 678 O SER A 41 5.131 -0.074 11.771 1.00 2.37 O ATOM 679 CB SER A 41 5.171 2.141 10.012 1.00 3.53 C ATOM 680 OG SER A 41 4.970 3.127 8.999 1.00 4.92 O ATOM 0 H SER A 41 2.141 1.606 9.268 1.00 1.84 H new ATOM 0 HA SER A 41 4.093 0.532 9.136 1.00 2.37 H new ATOM 0 HB2 SER A 41 5.261 2.626 10.984 1.00 3.53 H new ATOM 0 HB3 SER A 41 6.108 1.614 9.831 1.00 3.53 H new ATOM 0 HG SER A 41 4.011 3.307 8.903 1.00 4.92 H new ATOM 686 N GLU A 42 2.925 -0.498 11.502 1.00 1.71 N ATOM 687 CA GLU A 42 2.845 -1.580 12.479 1.00 1.76 C ATOM 688 C GLU A 42 3.102 -2.936 11.822 1.00 1.72 C ATOM 689 O GLU A 42 3.741 -3.802 12.415 1.00 1.99 O ATOM 690 CB GLU A 42 1.506 -1.538 13.240 1.00 1.91 C ATOM 691 CG GLU A 42 1.713 -1.834 14.736 1.00 2.09 C ATOM 692 CD GLU A 42 0.449 -1.613 15.546 1.00 2.28 C ATOM 693 OE1 GLU A 42 -0.595 -2.215 15.214 1.00 2.48 O ATOM 694 OE2 GLU A 42 0.453 -0.717 16.417 1.00 3.09 O ATOM 0 H GLU A 42 2.028 -0.267 11.074 1.00 1.71 H new ATOM 0 HA GLU A 42 3.634 -1.435 13.217 1.00 1.76 H new ATOM 0 HB2 GLU A 42 1.046 -0.557 13.120 1.00 1.91 H new ATOM 0 HB3 GLU A 42 0.818 -2.267 12.813 1.00 1.91 H new ATOM 0 HG2 GLU A 42 2.044 -2.865 14.858 1.00 2.09 H new ATOM 0 HG3 GLU A 42 2.507 -1.196 15.124 1.00 2.09 H new ATOM 701 N THR A 43 2.599 -3.126 10.600 1.00 1.60 N ATOM 702 CA THR A 43 2.781 -4.346 9.829 1.00 1.50 C ATOM 703 C THR A 43 3.205 -3.982 8.406 1.00 1.30 C ATOM 704 O THR A 43 3.028 -2.841 7.984 1.00 1.24 O ATOM 705 CB THR A 43 1.476 -5.160 9.844 1.00 1.47 C ATOM 706 OG1 THR A 43 0.384 -4.355 9.445 1.00 1.33 O ATOM 707 CG2 THR A 43 1.185 -5.710 11.244 1.00 1.82 C ATOM 0 H THR A 43 2.045 -2.420 10.115 1.00 1.60 H new ATOM 0 HA THR A 43 3.565 -4.962 10.269 1.00 1.50 H new ATOM 0 HB THR A 43 1.603 -5.988 9.147 1.00 1.47 H new ATOM 0 HG1 THR A 43 -0.438 -4.889 9.458 1.00 1.33 H new ATOM 0 HG21 THR A 43 0.257 -6.281 11.225 1.00 1.82 H new ATOM 0 HG22 THR A 43 2.003 -6.358 11.558 1.00 1.82 H new ATOM 0 HG23 THR A 43 1.088 -4.883 11.947 1.00 1.82 H new ATOM 715 N GLU A 44 3.747 -4.961 7.678 1.00 1.33 N ATOM 716 CA GLU A 44 4.082 -4.870 6.263 1.00 1.18 C ATOM 717 C GLU A 44 3.182 -5.867 5.517 1.00 0.98 C ATOM 718 O GLU A 44 2.802 -6.884 6.100 1.00 1.16 O ATOM 719 CB GLU A 44 5.563 -5.233 6.070 1.00 1.46 C ATOM 720 CG GLU A 44 6.525 -4.228 6.727 1.00 2.66 C ATOM 721 CD GLU A 44 6.752 -2.978 5.885 1.00 3.51 C ATOM 722 OE1 GLU A 44 5.798 -2.193 5.710 1.00 4.41 O ATOM 723 OE2 GLU A 44 7.886 -2.813 5.385 1.00 4.21 O ATOM 0 H GLU A 44 3.972 -5.872 8.077 1.00 1.33 H new ATOM 0 HA GLU A 44 3.925 -3.862 5.880 1.00 1.18 H new ATOM 0 HB2 GLU A 44 5.744 -6.224 6.485 1.00 1.46 H new ATOM 0 HB3 GLU A 44 5.780 -5.290 5.003 1.00 1.46 H new ATOM 0 HG2 GLU A 44 6.128 -3.936 7.699 1.00 2.66 H new ATOM 0 HG3 GLU A 44 7.483 -4.716 6.907 1.00 2.66 H new ATOM 730 N PRO A 45 2.826 -5.603 4.252 1.00 0.75 N ATOM 731 CA PRO A 45 2.166 -6.575 3.388 1.00 0.69 C ATOM 732 C PRO A 45 3.104 -7.742 3.053 1.00 0.77 C ATOM 733 O PRO A 45 4.311 -7.662 3.275 1.00 1.09 O ATOM 734 CB PRO A 45 1.817 -5.798 2.117 1.00 0.58 C ATOM 735 CG PRO A 45 2.882 -4.705 2.070 1.00 0.59 C ATOM 736 CD PRO A 45 3.105 -4.371 3.539 1.00 0.72 C ATOM 0 HA PRO A 45 1.289 -7.009 3.867 1.00 0.69 H new ATOM 0 HB2 PRO A 45 1.855 -6.435 1.233 1.00 0.58 H new ATOM 0 HB3 PRO A 45 0.812 -5.379 2.165 1.00 0.58 H new ATOM 0 HG2 PRO A 45 3.798 -5.055 1.594 1.00 0.59 H new ATOM 0 HG3 PRO A 45 2.542 -3.836 1.507 1.00 0.59 H new ATOM 0 HD2 PRO A 45 4.127 -4.035 3.716 1.00 0.72 H new ATOM 0 HD3 PRO A 45 2.444 -3.568 3.866 1.00 0.72 H new ATOM 744 N ASN A 46 2.547 -8.809 2.470 1.00 0.63 N ATOM 745 CA ASN A 46 3.276 -9.948 1.917 1.00 0.66 C ATOM 746 C ASN A 46 2.916 -10.130 0.445 1.00 0.61 C ATOM 747 O ASN A 46 2.059 -9.416 -0.060 1.00 0.58 O ATOM 748 CB ASN A 46 2.958 -11.220 2.715 1.00 0.81 C ATOM 749 CG ASN A 46 1.503 -11.675 2.569 1.00 1.00 C ATOM 750 OD1 ASN A 46 0.648 -10.943 2.077 1.00 1.49 O ATOM 751 ND2 ASN A 46 1.205 -12.899 2.990 1.00 1.87 N ATOM 0 H ASN A 46 1.536 -8.903 2.368 1.00 0.63 H new ATOM 0 HA ASN A 46 4.346 -9.757 1.992 1.00 0.66 H new ATOM 0 HB2 ASN A 46 3.618 -12.023 2.385 1.00 0.81 H new ATOM 0 HB3 ASN A 46 3.173 -11.043 3.769 1.00 0.81 H new ATOM 0 HD21 ASN A 46 0.250 -13.248 2.908 1.00 1.87 H new ATOM 0 HD22 ASN A 46 1.931 -13.490 3.395 1.00 1.87 H new ATOM 758 N GLY A 47 3.571 -11.079 -0.232 1.00 0.66 N ATOM 759 CA GLY A 47 3.604 -11.240 -1.685 1.00 0.66 C ATOM 760 C GLY A 47 2.340 -10.784 -2.417 1.00 0.60 C ATOM 761 O GLY A 47 2.350 -9.762 -3.100 1.00 0.57 O ATOM 0 H GLY A 47 4.121 -11.792 0.247 1.00 0.66 H new ATOM 0 HA2 GLY A 47 4.454 -10.682 -2.078 1.00 0.66 H new ATOM 0 HA3 GLY A 47 3.779 -12.291 -1.915 1.00 0.66 H new ATOM 765 N GLU A 48 1.246 -11.533 -2.276 1.00 0.61 N ATOM 766 CA GLU A 48 0.011 -11.239 -2.997 1.00 0.59 C ATOM 767 C GLU A 48 -0.484 -9.836 -2.647 1.00 0.54 C ATOM 768 O GLU A 48 -0.834 -9.044 -3.518 1.00 0.57 O ATOM 769 CB GLU A 48 -1.039 -12.317 -2.681 1.00 0.70 C ATOM 770 CG GLU A 48 -2.430 -12.005 -3.259 1.00 1.87 C ATOM 771 CD GLU A 48 -2.407 -11.711 -4.756 1.00 3.76 C ATOM 772 OE1 GLU A 48 -1.635 -12.400 -5.457 1.00 4.81 O ATOM 773 OE2 GLU A 48 -3.156 -10.799 -5.165 1.00 4.92 O ATOM 0 H GLU A 48 1.192 -12.349 -1.667 1.00 0.61 H new ATOM 0 HA GLU A 48 0.197 -11.257 -4.071 1.00 0.59 H new ATOM 0 HB2 GLU A 48 -0.696 -13.274 -3.075 1.00 0.70 H new ATOM 0 HB3 GLU A 48 -1.120 -12.429 -1.600 1.00 0.70 H new ATOM 0 HG2 GLU A 48 -3.092 -12.850 -3.071 1.00 1.87 H new ATOM 0 HG3 GLU A 48 -2.851 -11.148 -2.733 1.00 1.87 H new ATOM 780 N ASN A 49 -0.483 -9.495 -1.359 1.00 0.53 N ATOM 781 CA ASN A 49 -0.891 -8.163 -0.940 1.00 0.49 C ATOM 782 C ASN A 49 0.026 -7.105 -1.550 1.00 0.43 C ATOM 783 O ASN A 49 -0.444 -6.043 -1.925 1.00 0.52 O ATOM 784 CB ASN A 49 -0.938 -8.053 0.590 1.00 0.55 C ATOM 785 CG ASN A 49 -2.218 -8.616 1.209 1.00 0.84 C ATOM 786 OD1 ASN A 49 -2.638 -8.170 2.271 1.00 1.48 O ATOM 787 ND2 ASN A 49 -2.867 -9.581 0.563 1.00 0.74 N ATOM 0 H ASN A 49 -0.207 -10.117 -0.599 1.00 0.53 H new ATOM 0 HA ASN A 49 -1.901 -7.983 -1.308 1.00 0.49 H new ATOM 0 HB2 ASN A 49 -0.080 -8.579 1.010 1.00 0.55 H new ATOM 0 HB3 ASN A 49 -0.839 -7.005 0.873 1.00 0.55 H new ATOM 0 HD21 ASN A 49 -3.730 -9.963 0.950 1.00 0.74 H new ATOM 0 HD22 ASN A 49 -2.502 -9.939 -0.319 1.00 0.74 H new ATOM 794 N LEU A 50 1.321 -7.379 -1.676 1.00 0.39 N ATOM 795 CA LEU A 50 2.306 -6.485 -2.264 1.00 0.38 C ATOM 796 C LEU A 50 2.031 -6.297 -3.760 1.00 0.38 C ATOM 797 O LEU A 50 2.074 -5.173 -4.261 1.00 0.42 O ATOM 798 CB LEU A 50 3.704 -7.050 -1.957 1.00 0.42 C ATOM 799 CG LEU A 50 4.852 -6.067 -2.214 1.00 0.47 C ATOM 800 CD1 LEU A 50 4.636 -4.768 -1.440 1.00 1.75 C ATOM 801 CD2 LEU A 50 6.160 -6.712 -1.743 1.00 1.72 C ATOM 0 H LEU A 50 1.725 -8.261 -1.360 1.00 0.39 H new ATOM 0 HA LEU A 50 2.246 -5.486 -1.831 1.00 0.38 H new ATOM 0 HB2 LEU A 50 3.736 -7.362 -0.913 1.00 0.42 H new ATOM 0 HB3 LEU A 50 3.863 -7.943 -2.562 1.00 0.42 H new ATOM 0 HG LEU A 50 4.892 -5.837 -3.279 1.00 0.47 H new ATOM 0 HD11 LEU A 50 5.462 -4.085 -1.637 1.00 1.75 H new ATOM 0 HD12 LEU A 50 3.701 -4.307 -1.757 1.00 1.75 H new ATOM 0 HD13 LEU A 50 4.590 -4.984 -0.373 1.00 1.75 H new ATOM 0 HD21 LEU A 50 6.988 -6.025 -1.919 1.00 1.72 H new ATOM 0 HD22 LEU A 50 6.093 -6.935 -0.678 1.00 1.72 H new ATOM 0 HD23 LEU A 50 6.330 -7.635 -2.297 1.00 1.72 H new ATOM 813 N LEU A 51 1.679 -7.372 -4.470 1.00 0.38 N ATOM 814 CA LEU A 51 1.139 -7.265 -5.822 1.00 0.41 C ATOM 815 C LEU A 51 -0.090 -6.345 -5.812 1.00 0.40 C ATOM 816 O LEU A 51 -0.160 -5.378 -6.576 1.00 0.47 O ATOM 817 CB LEU A 51 0.796 -8.657 -6.386 1.00 0.52 C ATOM 818 CG LEU A 51 1.924 -9.342 -7.178 1.00 0.68 C ATOM 819 CD1 LEU A 51 2.139 -8.668 -8.536 1.00 2.24 C ATOM 820 CD2 LEU A 51 3.246 -9.424 -6.407 1.00 1.79 C ATOM 0 H LEU A 51 1.760 -8.329 -4.126 1.00 0.38 H new ATOM 0 HA LEU A 51 1.894 -6.829 -6.477 1.00 0.41 H new ATOM 0 HB2 LEU A 51 0.510 -9.306 -5.558 1.00 0.52 H new ATOM 0 HB3 LEU A 51 -0.076 -8.564 -7.034 1.00 0.52 H new ATOM 0 HG LEU A 51 1.591 -10.367 -7.339 1.00 0.68 H new ATOM 0 HD11 LEU A 51 2.942 -9.175 -9.071 1.00 2.24 H new ATOM 0 HD12 LEU A 51 1.221 -8.726 -9.120 1.00 2.24 H new ATOM 0 HD13 LEU A 51 2.407 -7.622 -8.385 1.00 2.24 H new ATOM 0 HD21 LEU A 51 3.997 -9.918 -7.024 1.00 1.79 H new ATOM 0 HD22 LEU A 51 3.585 -8.418 -6.158 1.00 1.79 H new ATOM 0 HD23 LEU A 51 3.098 -9.994 -5.490 1.00 1.79 H new ATOM 832 N ALA A 52 -1.050 -6.617 -4.926 1.00 0.40 N ATOM 833 CA ALA A 52 -2.285 -5.857 -4.835 1.00 0.46 C ATOM 834 C ALA A 52 -2.040 -4.375 -4.552 1.00 0.40 C ATOM 835 O ALA A 52 -2.726 -3.533 -5.142 1.00 0.44 O ATOM 836 CB ALA A 52 -3.193 -6.483 -3.779 1.00 0.58 C ATOM 0 H ALA A 52 -0.986 -7.378 -4.249 1.00 0.40 H new ATOM 0 HA ALA A 52 -2.780 -5.900 -5.805 1.00 0.46 H new ATOM 0 HB1 ALA A 52 -4.119 -5.912 -3.711 1.00 0.58 H new ATOM 0 HB2 ALA A 52 -3.420 -7.512 -4.058 1.00 0.58 H new ATOM 0 HB3 ALA A 52 -2.689 -6.472 -2.813 1.00 0.58 H new ATOM 842 N LEU A 53 -1.088 -4.078 -3.663 1.00 0.40 N ATOM 843 CA LEU A 53 -0.580 -2.753 -3.360 1.00 0.44 C ATOM 844 C LEU A 53 -0.047 -2.137 -4.645 1.00 0.40 C ATOM 845 O LEU A 53 -0.451 -1.041 -5.016 1.00 0.46 O ATOM 846 CB LEU A 53 0.569 -2.827 -2.332 1.00 0.54 C ATOM 847 CG LEU A 53 0.360 -2.520 -0.855 1.00 0.90 C ATOM 848 CD1 LEU A 53 -0.650 -1.390 -0.634 1.00 2.02 C ATOM 849 CD2 LEU A 53 0.117 -3.799 -0.075 1.00 2.44 C ATOM 0 H LEU A 53 -0.631 -4.802 -3.109 1.00 0.40 H new ATOM 0 HA LEU A 53 -1.386 -2.151 -2.941 1.00 0.44 H new ATOM 0 HB2 LEU A 53 0.974 -3.838 -2.387 1.00 0.54 H new ATOM 0 HB3 LEU A 53 1.348 -2.152 -2.685 1.00 0.54 H new ATOM 0 HG LEU A 53 1.278 -2.108 -0.436 1.00 0.90 H new ATOM 0 HD11 LEU A 53 -0.765 -1.208 0.435 1.00 2.02 H new ATOM 0 HD12 LEU A 53 -0.292 -0.482 -1.120 1.00 2.02 H new ATOM 0 HD13 LEU A 53 -1.613 -1.674 -1.059 1.00 2.02 H new ATOM 0 HD21 LEU A 53 -0.030 -3.560 0.978 1.00 2.44 H new ATOM 0 HD22 LEU A 53 -0.772 -4.298 -0.462 1.00 2.44 H new ATOM 0 HD23 LEU A 53 0.978 -4.459 -0.181 1.00 2.44 H new ATOM 861 N SER A 54 0.882 -2.824 -5.311 1.00 0.38 N ATOM 862 CA SER A 54 1.599 -2.249 -6.434 1.00 0.44 C ATOM 863 C SER A 54 0.633 -1.808 -7.532 1.00 0.40 C ATOM 864 O SER A 54 0.652 -0.650 -7.955 1.00 0.42 O ATOM 865 CB SER A 54 2.687 -3.220 -6.912 1.00 0.52 C ATOM 866 OG SER A 54 2.162 -4.343 -7.588 1.00 1.90 O ATOM 0 H SER A 54 1.151 -3.782 -5.086 1.00 0.38 H new ATOM 0 HA SER A 54 2.112 -1.340 -6.119 1.00 0.44 H new ATOM 0 HB2 SER A 54 3.373 -2.692 -7.574 1.00 0.52 H new ATOM 0 HB3 SER A 54 3.268 -3.558 -6.054 1.00 0.52 H new ATOM 0 HG SER A 54 1.354 -4.653 -7.128 1.00 1.90 H new ATOM 872 N LYS A 55 -0.272 -2.706 -7.935 1.00 0.42 N ATOM 873 CA LYS A 55 -1.287 -2.340 -8.907 1.00 0.44 C ATOM 874 C LYS A 55 -2.174 -1.222 -8.353 1.00 0.43 C ATOM 875 O LYS A 55 -2.384 -0.226 -9.043 1.00 0.51 O ATOM 876 CB LYS A 55 -2.037 -3.568 -9.451 1.00 0.63 C ATOM 877 CG LYS A 55 -2.817 -4.398 -8.422 1.00 1.59 C ATOM 878 CD LYS A 55 -4.332 -4.154 -8.515 1.00 2.82 C ATOM 879 CE LYS A 55 -5.124 -5.034 -7.531 1.00 4.54 C ATOM 880 NZ LYS A 55 -5.174 -4.462 -6.172 1.00 5.69 N ATOM 0 H LYS A 55 -0.317 -3.671 -7.607 1.00 0.42 H new ATOM 0 HA LYS A 55 -0.806 -1.922 -9.792 1.00 0.44 H new ATOM 0 HB2 LYS A 55 -2.734 -3.231 -10.218 1.00 0.63 H new ATOM 0 HB3 LYS A 55 -1.315 -4.221 -9.941 1.00 0.63 H new ATOM 0 HG2 LYS A 55 -2.610 -5.457 -8.578 1.00 1.59 H new ATOM 0 HG3 LYS A 55 -2.471 -4.150 -7.419 1.00 1.59 H new ATOM 0 HD2 LYS A 55 -4.542 -3.104 -8.311 1.00 2.82 H new ATOM 0 HD3 LYS A 55 -4.669 -4.355 -9.532 1.00 2.82 H new ATOM 0 HE2 LYS A 55 -6.140 -5.165 -7.904 1.00 4.54 H new ATOM 0 HE3 LYS A 55 -4.670 -6.024 -7.488 1.00 4.54 H new ATOM 0 HZ1 LYS A 55 -5.536 -5.176 -5.508 1.00 5.69 H new ATOM 0 HZ2 LYS A 55 -4.218 -4.172 -5.882 1.00 5.69 H new ATOM 0 HZ3 LYS A 55 -5.803 -3.634 -6.167 1.00 5.69 H new ATOM 894 N ALA A 56 -2.647 -1.328 -7.101 1.00 0.45 N ATOM 895 CA ALA A 56 -3.483 -0.280 -6.526 1.00 0.49 C ATOM 896 C ALA A 56 -2.868 1.110 -6.612 1.00 0.49 C ATOM 897 O ALA A 56 -3.510 2.081 -7.004 1.00 0.59 O ATOM 898 CB ALA A 56 -3.826 -0.617 -5.081 1.00 0.60 C ATOM 0 H ALA A 56 -2.465 -2.118 -6.482 1.00 0.45 H new ATOM 0 HA ALA A 56 -4.391 -0.248 -7.128 1.00 0.49 H new ATOM 0 HB1 ALA A 56 -4.450 0.172 -4.662 1.00 0.60 H new ATOM 0 HB2 ALA A 56 -4.365 -1.564 -5.046 1.00 0.60 H new ATOM 0 HB3 ALA A 56 -2.908 -0.701 -4.499 1.00 0.60 H new ATOM 904 N LEU A 57 -1.608 1.177 -6.224 1.00 0.46 N ATOM 905 CA LEU A 57 -0.832 2.405 -6.126 1.00 0.46 C ATOM 906 C LEU A 57 -0.279 2.849 -7.481 1.00 0.53 C ATOM 907 O LEU A 57 0.344 3.909 -7.551 1.00 0.72 O ATOM 908 CB LEU A 57 0.311 2.223 -5.117 1.00 0.50 C ATOM 909 CG LEU A 57 -0.159 1.986 -3.672 1.00 0.59 C ATOM 910 CD1 LEU A 57 1.065 1.653 -2.814 1.00 0.99 C ATOM 911 CD2 LEU A 57 -0.869 3.211 -3.081 1.00 0.76 C ATOM 0 H LEU A 57 -1.075 0.349 -5.958 1.00 0.46 H new ATOM 0 HA LEU A 57 -1.503 3.191 -5.779 1.00 0.46 H new ATOM 0 HB2 LEU A 57 0.927 1.380 -5.430 1.00 0.50 H new ATOM 0 HB3 LEU A 57 0.946 3.108 -5.140 1.00 0.50 H new ATOM 0 HG LEU A 57 -0.876 1.165 -3.679 1.00 0.59 H new ATOM 0 HD11 LEU A 57 0.752 1.481 -1.784 1.00 0.99 H new ATOM 0 HD12 LEU A 57 1.547 0.755 -3.201 1.00 0.99 H new ATOM 0 HD13 LEU A 57 1.769 2.485 -2.845 1.00 0.99 H new ATOM 0 HD21 LEU A 57 -1.181 2.993 -2.060 1.00 0.76 H new ATOM 0 HD22 LEU A 57 -0.186 4.061 -3.078 1.00 0.76 H new ATOM 0 HD23 LEU A 57 -1.744 3.451 -3.685 1.00 0.76 H new ATOM 923 N GLN A 58 -0.478 2.063 -8.544 1.00 0.56 N ATOM 924 CA GLN A 58 0.081 2.312 -9.865 1.00 0.71 C ATOM 925 C GLN A 58 1.613 2.343 -9.799 1.00 0.77 C ATOM 926 O GLN A 58 2.251 3.365 -10.066 1.00 0.96 O ATOM 927 CB GLN A 58 -0.510 3.581 -10.502 1.00 0.82 C ATOM 928 CG GLN A 58 -2.047 3.616 -10.463 1.00 0.94 C ATOM 929 CD GLN A 58 -2.560 4.749 -9.576 1.00 1.87 C ATOM 930 OE1 GLN A 58 -2.438 5.916 -9.932 1.00 2.76 O ATOM 931 NE2 GLN A 58 -3.141 4.440 -8.421 1.00 3.15 N ATOM 0 H GLN A 58 -1.047 1.217 -8.503 1.00 0.56 H new ATOM 0 HA GLN A 58 -0.201 1.488 -10.520 1.00 0.71 H new ATOM 0 HB2 GLN A 58 -0.119 4.456 -9.983 1.00 0.82 H new ATOM 0 HB3 GLN A 58 -0.177 3.649 -11.538 1.00 0.82 H new ATOM 0 HG2 GLN A 58 -2.435 3.740 -11.474 1.00 0.94 H new ATOM 0 HG3 GLN A 58 -2.424 2.663 -10.092 1.00 0.94 H new ATOM 0 HE21 GLN A 58 -3.233 3.463 -8.142 1.00 3.15 H new ATOM 0 HE22 GLN A 58 -3.494 5.180 -7.814 1.00 3.15 H new ATOM 940 N CYS A 59 2.218 1.215 -9.432 1.00 0.68 N ATOM 941 CA CYS A 59 3.653 0.996 -9.549 1.00 0.67 C ATOM 942 C CYS A 59 3.895 -0.490 -9.807 1.00 0.56 C ATOM 943 O CYS A 59 3.032 -1.317 -9.521 1.00 0.55 O ATOM 944 CB CYS A 59 4.400 1.495 -8.304 1.00 0.83 C ATOM 945 SG CYS A 59 4.176 0.353 -6.921 1.00 0.95 S ATOM 0 H CYS A 59 1.716 0.418 -9.040 1.00 0.68 H new ATOM 0 HA CYS A 59 4.047 1.572 -10.386 1.00 0.67 H new ATOM 0 HB2 CYS A 59 5.462 1.598 -8.528 1.00 0.83 H new ATOM 0 HB3 CYS A 59 4.035 2.484 -8.028 1.00 0.83 H new ATOM 0 HG CYS A 59 4.819 0.798 -5.883 1.00 0.95 H new ATOM 951 N SER A 60 5.042 -0.837 -10.389 1.00 0.76 N ATOM 952 CA SER A 60 5.444 -2.217 -10.604 1.00 0.91 C ATOM 953 C SER A 60 5.859 -2.818 -9.257 1.00 0.95 C ATOM 954 O SER A 60 6.495 -2.107 -8.484 1.00 1.16 O ATOM 955 CB SER A 60 6.625 -2.188 -11.578 1.00 1.09 C ATOM 956 OG SER A 60 7.505 -1.144 -11.199 1.00 1.17 O ATOM 0 H SER A 60 5.723 -0.156 -10.727 1.00 0.76 H new ATOM 0 HA SER A 60 4.638 -2.824 -11.016 1.00 0.91 H new ATOM 0 HB2 SER A 60 7.147 -3.145 -11.566 1.00 1.09 H new ATOM 0 HB3 SER A 60 6.270 -2.031 -12.597 1.00 1.09 H new ATOM 0 HG SER A 60 8.266 -1.118 -11.816 1.00 1.17 H new ATOM 962 N PRO A 61 5.568 -4.099 -8.968 1.00 0.97 N ATOM 963 CA PRO A 61 5.871 -4.721 -7.683 1.00 1.01 C ATOM 964 C PRO A 61 7.316 -4.475 -7.243 1.00 1.09 C ATOM 965 O PRO A 61 7.557 -4.105 -6.092 1.00 1.10 O ATOM 966 CB PRO A 61 5.527 -6.207 -7.833 1.00 1.12 C ATOM 967 CG PRO A 61 5.472 -6.430 -9.345 1.00 1.29 C ATOM 968 CD PRO A 61 5.002 -5.078 -9.879 1.00 1.13 C ATOM 0 HA PRO A 61 5.278 -4.278 -6.883 1.00 1.01 H new ATOM 0 HB2 PRO A 61 6.281 -6.839 -7.365 1.00 1.12 H new ATOM 0 HB3 PRO A 61 4.574 -6.445 -7.361 1.00 1.12 H new ATOM 0 HG2 PRO A 61 6.447 -6.705 -9.747 1.00 1.29 H new ATOM 0 HG3 PRO A 61 4.781 -7.230 -9.609 1.00 1.29 H new ATOM 0 HD2 PRO A 61 5.348 -4.914 -10.900 1.00 1.13 H new ATOM 0 HD3 PRO A 61 3.914 -5.017 -9.898 1.00 1.13 H new ATOM 976 N ASP A 62 8.260 -4.621 -8.181 1.00 1.19 N ATOM 977 CA ASP A 62 9.672 -4.323 -7.977 1.00 1.34 C ATOM 978 C ASP A 62 9.890 -3.027 -7.192 1.00 1.29 C ATOM 979 O ASP A 62 10.723 -3.010 -6.294 1.00 1.44 O ATOM 980 CB ASP A 62 10.400 -4.253 -9.321 1.00 1.49 C ATOM 981 CG ASP A 62 11.842 -3.812 -9.113 1.00 2.14 C ATOM 982 OD1 ASP A 62 12.700 -4.657 -8.774 1.00 3.40 O ATOM 983 OD2 ASP A 62 12.125 -2.606 -9.284 1.00 2.99 O ATOM 0 H ASP A 62 8.053 -4.957 -9.121 1.00 1.19 H new ATOM 0 HA ASP A 62 10.086 -5.135 -7.380 1.00 1.34 H new ATOM 0 HB2 ASP A 62 10.376 -5.228 -9.807 1.00 1.49 H new ATOM 0 HB3 ASP A 62 9.890 -3.554 -9.984 1.00 1.49 H new ATOM 988 N TYR A 63 9.122 -1.970 -7.485 1.00 1.15 N ATOM 989 CA TYR A 63 9.182 -0.690 -6.786 1.00 1.13 C ATOM 990 C TYR A 63 9.299 -0.901 -5.281 1.00 1.18 C ATOM 991 O TYR A 63 10.123 -0.279 -4.623 1.00 1.38 O ATOM 992 CB TYR A 63 7.915 0.121 -7.109 1.00 1.06 C ATOM 993 CG TYR A 63 7.818 1.512 -6.500 1.00 1.09 C ATOM 994 CD1 TYR A 63 7.503 1.675 -5.136 1.00 2.06 C ATOM 995 CD2 TYR A 63 7.900 2.649 -7.324 1.00 2.06 C ATOM 996 CE1 TYR A 63 7.282 2.951 -4.598 1.00 2.10 C ATOM 997 CE2 TYR A 63 7.750 3.930 -6.770 1.00 2.15 C ATOM 998 CZ TYR A 63 7.470 4.081 -5.401 1.00 1.34 C ATOM 999 OH TYR A 63 7.268 5.327 -4.899 1.00 1.58 O ATOM 0 H TYR A 63 8.428 -1.986 -8.232 1.00 1.15 H new ATOM 0 HA TYR A 63 10.064 -0.143 -7.120 1.00 1.13 H new ATOM 0 HB2 TYR A 63 7.841 0.218 -8.192 1.00 1.06 H new ATOM 0 HB3 TYR A 63 7.050 -0.455 -6.781 1.00 1.06 H new ATOM 0 HD1 TYR A 63 7.431 0.807 -4.498 1.00 2.06 H new ATOM 0 HD2 TYR A 63 8.078 2.536 -8.383 1.00 2.06 H new ATOM 0 HE1 TYR A 63 6.969 3.061 -3.570 1.00 2.10 H new ATOM 0 HE2 TYR A 63 7.850 4.803 -7.398 1.00 2.15 H new ATOM 0 HH TYR A 63 8.130 5.726 -4.658 1.00 1.58 H new ATOM 1009 N LEU A 64 8.441 -1.740 -4.710 1.00 1.11 N ATOM 1010 CA LEU A 64 8.331 -1.849 -3.266 1.00 1.21 C ATOM 1011 C LEU A 64 9.538 -2.602 -2.697 1.00 1.36 C ATOM 1012 O LEU A 64 10.088 -2.201 -1.673 1.00 1.57 O ATOM 1013 CB LEU A 64 7.003 -2.520 -2.932 1.00 1.41 C ATOM 1014 CG LEU A 64 5.842 -1.657 -3.458 1.00 1.51 C ATOM 1015 CD1 LEU A 64 4.964 -2.420 -4.446 1.00 1.89 C ATOM 1016 CD2 LEU A 64 4.988 -1.109 -2.318 1.00 1.81 C ATOM 0 H LEU A 64 7.813 -2.354 -5.229 1.00 1.11 H new ATOM 0 HA LEU A 64 8.339 -0.863 -2.801 1.00 1.21 H new ATOM 0 HB2 LEU A 64 6.963 -3.513 -3.380 1.00 1.41 H new ATOM 0 HB3 LEU A 64 6.912 -2.652 -1.854 1.00 1.41 H new ATOM 0 HG LEU A 64 6.297 -0.819 -3.985 1.00 1.51 H new ATOM 0 HD11 LEU A 64 4.158 -1.773 -4.791 1.00 1.89 H new ATOM 0 HD12 LEU A 64 5.565 -2.737 -5.298 1.00 1.89 H new ATOM 0 HD13 LEU A 64 4.541 -3.296 -3.955 1.00 1.89 H new ATOM 0 HD21 LEU A 64 4.179 -0.505 -2.728 1.00 1.81 H new ATOM 0 HD22 LEU A 64 4.569 -1.937 -1.747 1.00 1.81 H new ATOM 0 HD23 LEU A 64 5.606 -0.493 -1.664 1.00 1.81 H new ATOM 1028 N LEU A 65 9.951 -3.681 -3.371 1.00 1.38 N ATOM 1029 CA LEU A 65 11.065 -4.523 -2.946 1.00 1.57 C ATOM 1030 C LEU A 65 12.401 -3.796 -3.124 1.00 1.90 C ATOM 1031 O LEU A 65 13.308 -3.950 -2.306 1.00 2.43 O ATOM 1032 CB LEU A 65 11.086 -5.843 -3.733 1.00 1.55 C ATOM 1033 CG LEU A 65 9.903 -6.785 -3.439 1.00 1.51 C ATOM 1034 CD1 LEU A 65 8.670 -6.458 -4.290 1.00 3.13 C ATOM 1035 CD2 LEU A 65 10.320 -8.230 -3.736 1.00 2.41 C ATOM 0 H LEU A 65 9.513 -3.994 -4.237 1.00 1.38 H new ATOM 0 HA LEU A 65 10.924 -4.745 -1.888 1.00 1.57 H new ATOM 0 HB2 LEU A 65 11.095 -5.615 -4.799 1.00 1.55 H new ATOM 0 HB3 LEU A 65 12.015 -6.368 -3.511 1.00 1.55 H new ATOM 0 HG LEU A 65 9.640 -6.653 -2.390 1.00 1.51 H new ATOM 0 HD11 LEU A 65 7.865 -7.150 -4.045 1.00 3.13 H new ATOM 0 HD12 LEU A 65 8.346 -5.438 -4.085 1.00 3.13 H new ATOM 0 HD13 LEU A 65 8.921 -6.553 -5.346 1.00 3.13 H new ATOM 0 HD21 LEU A 65 9.485 -8.899 -3.529 1.00 2.41 H new ATOM 0 HD22 LEU A 65 10.605 -8.318 -4.784 1.00 2.41 H new ATOM 0 HD23 LEU A 65 11.167 -8.501 -3.106 1.00 2.41 H new ATOM 1047 N LYS A 66 12.519 -3.033 -4.213 1.00 1.77 N ATOM 1048 CA LYS A 66 13.673 -2.226 -4.569 1.00 2.19 C ATOM 1049 C LYS A 66 13.744 -1.036 -3.615 1.00 1.77 C ATOM 1050 O LYS A 66 14.772 -0.797 -2.987 1.00 2.21 O ATOM 1051 CB LYS A 66 13.529 -1.785 -6.039 1.00 2.97 C ATOM 1052 CG LYS A 66 14.791 -1.120 -6.602 1.00 3.80 C ATOM 1053 CD LYS A 66 15.854 -2.159 -6.994 1.00 4.38 C ATOM 1054 CE LYS A 66 15.892 -2.459 -8.502 1.00 5.82 C ATOM 1055 NZ LYS A 66 14.627 -2.999 -9.047 1.00 6.44 N ATOM 0 H LYS A 66 11.770 -2.962 -4.901 1.00 1.77 H new ATOM 0 HA LYS A 66 14.602 -2.789 -4.477 1.00 2.19 H new ATOM 0 HB2 LYS A 66 13.282 -2.654 -6.649 1.00 2.97 H new ATOM 0 HB3 LYS A 66 12.693 -1.090 -6.122 1.00 2.97 H new ATOM 0 HG2 LYS A 66 14.529 -0.521 -7.474 1.00 3.80 H new ATOM 0 HG3 LYS A 66 15.205 -0.438 -5.860 1.00 3.80 H new ATOM 0 HD2 LYS A 66 16.834 -1.801 -6.678 1.00 4.38 H new ATOM 0 HD3 LYS A 66 15.663 -3.085 -6.452 1.00 4.38 H new ATOM 0 HE2 LYS A 66 16.143 -1.543 -9.037 1.00 5.82 H new ATOM 0 HE3 LYS A 66 16.693 -3.172 -8.699 1.00 5.82 H new ATOM 0 HZ1 LYS A 66 14.745 -3.206 -10.059 1.00 6.44 H new ATOM 0 HZ2 LYS A 66 14.376 -3.873 -8.542 1.00 6.44 H new ATOM 0 HZ3 LYS A 66 13.869 -2.298 -8.923 1.00 6.44 H new ATOM 1069 N GLY A 67 12.625 -0.329 -3.475 1.00 1.44 N ATOM 1070 CA GLY A 67 12.441 0.759 -2.532 1.00 1.98 C ATOM 1071 C GLY A 67 12.291 2.076 -3.272 1.00 1.44 C ATOM 1072 O GLY A 67 13.120 2.972 -3.130 1.00 1.78 O ATOM 0 H GLY A 67 11.794 -0.509 -4.038 1.00 1.44 H new ATOM 0 HA2 GLY A 67 11.557 0.574 -1.921 1.00 1.98 H new ATOM 0 HA3 GLY A 67 13.293 0.810 -1.854 1.00 1.98 H new ATOM 1076 N ASP A 68 11.217 2.154 -4.057 1.00 1.23 N ATOM 1077 CA ASP A 68 11.086 3.006 -5.232 1.00 1.95 C ATOM 1078 C ASP A 68 11.943 2.455 -6.376 1.00 3.15 C ATOM 1079 O ASP A 68 12.896 1.704 -6.163 1.00 4.23 O ATOM 1080 CB ASP A 68 11.312 4.496 -4.925 1.00 2.68 C ATOM 1081 CG ASP A 68 10.537 5.389 -5.884 1.00 3.80 C ATOM 1082 OD1 ASP A 68 10.771 5.252 -7.105 1.00 4.90 O ATOM 1083 OD2 ASP A 68 9.673 6.151 -5.402 1.00 4.30 O ATOM 0 H ASP A 68 10.379 1.599 -3.881 1.00 1.23 H new ATOM 0 HA ASP A 68 10.050 2.974 -5.569 1.00 1.95 H new ATOM 0 HB2 ASP A 68 11.005 4.708 -3.901 1.00 2.68 H new ATOM 0 HB3 ASP A 68 12.376 4.725 -4.993 1.00 2.68 H new ATOM 1088 N LEU A 69 11.592 2.817 -7.605 1.00 4.00 N ATOM 1089 CA LEU A 69 12.453 2.614 -8.759 1.00 5.51 C ATOM 1090 C LEU A 69 13.524 3.705 -8.780 1.00 5.61 C ATOM 1091 O LEU A 69 14.587 3.521 -9.372 1.00 6.89 O ATOM 1092 CB LEU A 69 11.625 2.668 -10.050 1.00 6.74 C ATOM 1093 CG LEU A 69 10.544 1.580 -10.144 1.00 7.64 C ATOM 1094 CD1 LEU A 69 9.701 1.821 -11.400 1.00 8.93 C ATOM 1095 CD2 LEU A 69 11.141 0.170 -10.189 1.00 8.53 C ATOM 0 H LEU A 69 10.700 3.260 -7.827 1.00 4.00 H new ATOM 0 HA LEU A 69 12.928 1.635 -8.691 1.00 5.51 H new ATOM 0 HB2 LEU A 69 11.149 3.646 -10.124 1.00 6.74 H new ATOM 0 HB3 LEU A 69 12.296 2.574 -10.904 1.00 6.74 H new ATOM 0 HG LEU A 69 9.927 1.643 -9.248 1.00 7.64 H new ATOM 0 HD11 LEU A 69 8.931 1.053 -11.474 1.00 8.93 H new ATOM 0 HD12 LEU A 69 9.230 2.802 -11.339 1.00 8.93 H new ATOM 0 HD13 LEU A 69 10.341 1.780 -12.281 1.00 8.93 H new ATOM 0 HD21 LEU A 69 10.337 -0.563 -10.255 1.00 8.53 H new ATOM 0 HD22 LEU A 69 11.790 0.077 -11.060 1.00 8.53 H new ATOM 0 HD23 LEU A 69 11.721 -0.008 -9.284 1.00 8.53 H new ATOM 1107 N SER A 70 13.239 4.849 -8.153 1.00 4.81 N ATOM 1108 CA SER A 70 13.999 6.080 -8.310 1.00 5.42 C ATOM 1109 C SER A 70 15.311 6.068 -7.519 1.00 5.96 C ATOM 1110 O SER A 70 15.584 6.991 -6.757 1.00 6.33 O ATOM 1111 CB SER A 70 13.113 7.265 -7.902 1.00 5.68 C ATOM 1112 OG SER A 70 11.856 7.186 -8.550 1.00 6.42 O ATOM 0 H SER A 70 12.454 4.942 -7.508 1.00 4.81 H new ATOM 0 HA SER A 70 14.285 6.176 -9.357 1.00 5.42 H new ATOM 0 HB2 SER A 70 12.973 7.268 -6.821 1.00 5.68 H new ATOM 0 HB3 SER A 70 13.605 8.202 -8.162 1.00 5.68 H new ATOM 0 HG SER A 70 11.256 6.611 -8.031 1.00 6.42 H new ATOM 1118 N GLN A 71 16.177 5.079 -7.755 1.00 6.86 N ATOM 1119 CA GLN A 71 17.487 4.972 -7.117 1.00 8.09 C ATOM 1120 C GLN A 71 18.505 5.882 -7.818 1.00 8.81 C ATOM 1121 O GLN A 71 19.686 5.553 -7.936 1.00 10.22 O ATOM 1122 CB GLN A 71 17.953 3.504 -7.128 1.00 9.35 C ATOM 1123 CG GLN A 71 16.912 2.519 -6.575 1.00 9.41 C ATOM 1124 CD GLN A 71 16.430 2.889 -5.176 1.00 9.34 C ATOM 1125 OE1 GLN A 71 17.198 3.369 -4.350 1.00 9.77 O ATOM 1126 NE2 GLN A 71 15.149 2.673 -4.905 1.00 9.34 N ATOM 0 H GLN A 71 15.982 4.318 -8.406 1.00 6.86 H new ATOM 0 HA GLN A 71 17.407 5.302 -6.081 1.00 8.09 H new ATOM 0 HB2 GLN A 71 18.202 3.219 -8.150 1.00 9.35 H new ATOM 0 HB3 GLN A 71 18.868 3.419 -6.542 1.00 9.35 H new ATOM 0 HG2 GLN A 71 16.058 2.484 -7.251 1.00 9.41 H new ATOM 0 HG3 GLN A 71 17.342 1.518 -6.553 1.00 9.41 H new ATOM 0 HE21 GLN A 71 14.538 2.272 -5.616 1.00 9.34 H new ATOM 0 HE22 GLN A 71 14.776 2.908 -3.985 1.00 9.34 H new ATOM 1135 N THR A 72 18.056 7.034 -8.314 1.00 8.21 N ATOM 1136 CA THR A 72 18.880 7.928 -9.098 1.00 9.24 C ATOM 1137 C THR A 72 19.738 8.773 -8.163 1.00 9.87 C ATOM 1138 O THR A 72 19.443 9.941 -7.914 1.00 9.83 O ATOM 1139 CB THR A 72 17.992 8.801 -9.974 1.00 9.29 C ATOM 1140 OG1 THR A 72 17.017 9.433 -9.172 1.00 8.58 O ATOM 1141 CG2 THR A 72 17.293 7.985 -11.065 1.00 9.76 C ATOM 0 H THR A 72 17.102 7.368 -8.177 1.00 8.21 H new ATOM 0 HA THR A 72 19.542 7.356 -9.748 1.00 9.24 H new ATOM 0 HB THR A 72 18.627 9.542 -10.459 1.00 9.29 H new ATOM 0 HG1 THR A 72 17.458 9.933 -8.454 1.00 8.58 H new ATOM 0 HG21 THR A 72 16.669 8.644 -11.669 1.00 9.76 H new ATOM 0 HG22 THR A 72 18.041 7.511 -11.701 1.00 9.76 H new ATOM 0 HG23 THR A 72 16.671 7.218 -10.604 1.00 9.76 H new ATOM 1149 N ASN A 73 20.795 8.152 -7.656 1.00 10.92 N ATOM 1150 CA ASN A 73 21.759 8.746 -6.737 1.00 12.13 C ATOM 1151 C ASN A 73 23.157 8.268 -7.131 1.00 13.53 C ATOM 1152 O ASN A 73 23.861 7.657 -6.332 1.00 14.83 O ATOM 1153 CB ASN A 73 21.379 8.391 -5.290 1.00 12.68 C ATOM 1154 CG ASN A 73 22.114 9.252 -4.262 1.00 14.08 C ATOM 1155 OD1 ASN A 73 21.518 10.125 -3.640 1.00 14.29 O ATOM 1156 ND2 ASN A 73 23.406 9.021 -4.060 1.00 15.41 N ATOM 0 H ASN A 73 21.014 7.182 -7.882 1.00 10.92 H new ATOM 0 HA ASN A 73 21.752 9.834 -6.798 1.00 12.13 H new ATOM 0 HB2 ASN A 73 20.304 8.514 -5.160 1.00 12.68 H new ATOM 0 HB3 ASN A 73 21.604 7.340 -5.106 1.00 12.68 H new ATOM 0 HD21 ASN A 73 23.922 9.575 -3.376 1.00 15.41 H new ATOM 0 HD22 ASN A 73 23.882 8.290 -4.588 1.00 15.41 H new ATOM 1163 N VAL A 74 23.528 8.545 -8.386 1.00 13.58 N ATOM 1164 CA VAL A 74 24.760 8.105 -9.030 1.00 15.17 C ATOM 1165 C VAL A 74 24.768 6.581 -9.192 1.00 15.95 C ATOM 1166 O VAL A 74 24.972 5.838 -8.236 1.00 16.61 O ATOM 1167 CB VAL A 74 26.023 8.633 -8.320 1.00 16.13 C ATOM 1168 CG1 VAL A 74 27.289 8.206 -9.083 1.00 17.58 C ATOM 1169 CG2 VAL A 74 25.997 10.164 -8.221 1.00 16.17 C ATOM 0 H VAL A 74 22.946 9.109 -9.005 1.00 13.58 H new ATOM 0 HA VAL A 74 24.786 8.544 -10.027 1.00 15.17 H new ATOM 0 HB VAL A 74 26.038 8.208 -7.316 1.00 16.13 H new ATOM 0 HG11 VAL A 74 28.170 8.587 -8.568 1.00 17.58 H new ATOM 0 HG12 VAL A 74 27.337 7.118 -9.128 1.00 17.58 H new ATOM 0 HG13 VAL A 74 27.257 8.610 -10.095 1.00 17.58 H new ATOM 0 HG21 VAL A 74 26.899 10.511 -7.716 1.00 16.17 H new ATOM 0 HG22 VAL A 74 25.954 10.593 -9.222 1.00 16.17 H new ATOM 0 HG23 VAL A 74 25.120 10.477 -7.654 1.00 16.17 H new ATOM 1179 N ALA A 75 24.597 6.110 -10.429 1.00 16.26 N ATOM 1180 CA ALA A 75 24.861 4.720 -10.778 1.00 17.51 C ATOM 1181 C ALA A 75 26.377 4.487 -10.774 1.00 19.04 C ATOM 1182 O ALA A 75 26.987 4.343 -11.833 1.00 20.12 O ATOM 1183 CB ALA A 75 24.230 4.404 -12.138 1.00 17.95 C ATOM 0 H ALA A 75 24.273 6.681 -11.210 1.00 16.26 H new ATOM 0 HA ALA A 75 24.414 4.046 -10.048 1.00 17.51 H new ATOM 0 HB1 ALA A 75 24.428 3.364 -12.398 1.00 17.95 H new ATOM 0 HB2 ALA A 75 23.153 4.566 -12.086 1.00 17.95 H new ATOM 0 HB3 ALA A 75 24.659 5.056 -12.899 1.00 17.95 H new ATOM 1189 N TYR A 76 26.972 4.519 -9.581 1.00 19.30 N ATOM 1190 CA TYR A 76 28.369 4.181 -9.361 1.00 20.84 C ATOM 1191 C TYR A 76 28.569 2.669 -9.511 1.00 21.85 C ATOM 1192 O TYR A 76 27.581 1.935 -9.459 1.00 21.64 O ATOM 1193 CB TYR A 76 28.847 4.696 -7.990 1.00 21.32 C ATOM 1194 CG TYR A 76 27.849 4.594 -6.847 1.00 20.80 C ATOM 1195 CD1 TYR A 76 27.331 3.344 -6.459 1.00 21.16 C ATOM 1196 CD2 TYR A 76 27.405 5.762 -6.198 1.00 20.15 C ATOM 1197 CE1 TYR A 76 26.326 3.270 -5.479 1.00 20.84 C ATOM 1198 CE2 TYR A 76 26.409 5.686 -5.209 1.00 19.83 C ATOM 1199 CZ TYR A 76 25.847 4.445 -4.874 1.00 20.15 C ATOM 1200 OH TYR A 76 24.877 4.377 -3.918 1.00 20.08 O ATOM 1201 OXT TYR A 76 29.720 2.243 -9.571 1.00 22.94 O ATOM 0 H TYR A 76 26.482 4.786 -8.727 1.00 19.30 H new ATOM 0 HA TYR A 76 28.981 4.675 -10.115 1.00 20.84 H new ATOM 0 HB2 TYR A 76 29.744 4.144 -7.711 1.00 21.32 H new ATOM 0 HB3 TYR A 76 29.137 5.741 -8.099 1.00 21.32 H new ATOM 0 HD1 TYR A 76 27.706 2.440 -6.915 1.00 21.16 H new ATOM 0 HD2 TYR A 76 27.831 6.719 -6.461 1.00 20.15 H new ATOM 0 HE1 TYR A 76 25.922 2.311 -5.191 1.00 20.84 H new ATOM 0 HE2 TYR A 76 26.077 6.583 -4.707 1.00 19.83 H new ATOM 0 HH TYR A 76 24.663 5.280 -3.604 1.00 20.08 H new TER 1211 TYR A 76