USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1084 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 49 GLN :FLIP amide:sc= 0 F(o=-2.9,f=-2) USER MOD Set 1.2: B 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: B 19 ASN : amide:sc= -2.01 K(o=-2,f=-3.6!) USER MOD Set 2.1: A 25 ASN :FLIP amide:sc= 0.0773 F(o=-3.1,f=0.11) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 143:sc= 0.03 (180deg=-0.266) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.474 (180deg=-0.308) USER MOD Single : A 2 GLN : amide:sc= -2.52 K(o=-2.5,f=-4.4) USER MOD Single : A 6 LYS NZ :NH3+ -179:sc= -0.122 (180deg=-0.13) USER MOD Single : A 7 THR OG1 : rot 87:sc= 0.358 USER MOD Single : A 9 THR OG1 : rot -19:sc= 0.318 USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= 0.437 (180deg=0.308) USER MOD Single : A 12 THR OG1 : rot 34:sc= 0.284 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= -2.48 (180deg=-3.34!) USER MOD Single : A 31 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.1) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= -0.0445 (180deg=-0.274) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 41 GLN : amide:sc= -2.51 K(o=-2.5,f=-4.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -22:sc= 1.24 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0952 USER MOD Single : A 59 TYR OH : rot 125:sc= 0.309 USER MOD Single : A 60 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.84) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= 0.325 (180deg=-0.0998) USER MOD Single : A 65 SER OG : rot -106:sc= 0.221 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.482 K(o=-0.48,f=-2.2) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 CYS SG : rot 180:sc= -3.91! USER MOD Single : B 11 THR OG1 : rot 76:sc= -0.784 USER MOD Single : B 15 TYR OH : rot 70:sc= -0.0456 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot 180:sc= 0.441 USER MOD Single : B 32 HIS : no HE2:sc= 0.75 K(o=0.75,f=-3.4!) USER MOD Single : B 35 SER OG : rot 180:sc= -0.542 USER MOD Single : B 36 LYS NZ :NH3+ -164:sc= -0.0665 (180deg=-0.384) USER MOD Single : B 38 THR OG1 : rot -105:sc= 1.17 USER MOD Single : B 45 LYS NZ :NH3+ 168:sc= -0.0497 (180deg=-0.283) USER MOD Single : B 49 ASN : amide:sc= -0.145 X(o=-0.15,f=-0.62) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : B 62 GLN : amide:sc= 0.0259 X(o=0.026,f=-0.37) USER MOD Single : B 64 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.426 -20.404 -5.551 1.00 15.13 N ATOM 2 CA MET A 1 -13.797 -19.593 -4.479 1.00 14.88 C ATOM 3 C MET A 1 -13.425 -18.206 -4.990 1.00 13.56 C ATOM 4 O MET A 1 -12.711 -18.069 -5.986 1.00 12.96 O ATOM 5 CB MET A 1 -12.549 -20.300 -3.943 1.00 15.67 C ATOM 6 CG MET A 1 -12.842 -21.641 -3.291 1.00 15.34 C ATOM 7 SD MET A 1 -11.365 -22.418 -2.610 1.00 16.50 S ATOM 8 CE MET A 1 -12.043 -23.961 -2.004 1.00 15.91 C ATOM 0 H1 MET A 1 -15.414 -20.608 -5.298 1.00 15.13 H new ATOM 0 H2 MET A 1 -14.400 -19.876 -6.447 1.00 15.13 H new ATOM 0 H3 MET A 1 -13.906 -21.298 -5.661 1.00 15.13 H new ATOM 0 HA MET A 1 -14.521 -19.481 -3.672 1.00 14.88 H new ATOM 0 HB2 MET A 1 -11.846 -20.450 -4.763 1.00 15.67 H new ATOM 0 HB3 MET A 1 -12.058 -19.652 -3.217 1.00 15.67 H new ATOM 0 HG2 MET A 1 -13.574 -21.502 -2.496 1.00 15.34 H new ATOM 0 HG3 MET A 1 -13.293 -22.308 -4.026 1.00 15.34 H new ATOM 0 HE1 MET A 1 -11.248 -24.555 -1.552 1.00 15.91 H new ATOM 0 HE2 MET A 1 -12.810 -23.753 -1.258 1.00 15.91 H new ATOM 0 HE3 MET A 1 -12.484 -24.515 -2.833 1.00 15.91 H new ATOM 20 N GLN A 2 -13.917 -17.183 -4.299 1.00 13.22 N ATOM 21 CA GLN A 2 -13.643 -15.798 -4.666 1.00 12.04 C ATOM 22 C GLN A 2 -12.257 -15.381 -4.185 1.00 11.88 C ATOM 23 O GLN A 2 -11.774 -15.873 -3.165 1.00 12.64 O ATOM 24 CB GLN A 2 -14.709 -14.878 -4.063 1.00 11.89 C ATOM 25 CG GLN A 2 -14.683 -13.458 -4.607 1.00 10.95 C ATOM 26 CD GLN A 2 -15.143 -13.379 -6.050 1.00 11.15 C ATOM 27 OE1 GLN A 2 -14.338 -13.472 -6.976 1.00 10.74 O ATOM 28 NE2 GLN A 2 -16.444 -13.209 -6.250 1.00 11.94 N ATOM 0 H GLN A 2 -14.511 -17.288 -3.477 1.00 13.22 H new ATOM 0 HA GLN A 2 -13.671 -15.713 -5.752 1.00 12.04 H new ATOM 0 HB2 GLN A 2 -15.693 -15.309 -4.249 1.00 11.89 H new ATOM 0 HB3 GLN A 2 -14.575 -14.844 -2.982 1.00 11.89 H new ATOM 0 HG2 GLN A 2 -15.321 -12.825 -3.991 1.00 10.95 H new ATOM 0 HG3 GLN A 2 -13.671 -13.062 -4.530 1.00 10.95 H new ATOM 0 HE21 GLN A 2 -17.077 -13.137 -5.454 1.00 11.94 H new ATOM 0 HE22 GLN A 2 -16.811 -13.151 -7.200 1.00 11.94 H new ATOM 37 N ILE A 3 -11.623 -14.476 -4.927 1.00 10.95 N ATOM 38 CA ILE A 3 -10.296 -13.987 -4.571 1.00 10.68 C ATOM 39 C ILE A 3 -10.165 -12.504 -4.893 1.00 9.47 C ATOM 40 O ILE A 3 -10.765 -12.007 -5.845 1.00 8.82 O ATOM 41 CB ILE A 3 -9.170 -14.770 -5.284 1.00 10.84 C ATOM 42 CG1 ILE A 3 -9.276 -14.623 -6.805 1.00 10.19 C ATOM 43 CG2 ILE A 3 -9.210 -16.241 -4.885 1.00 12.19 C ATOM 44 CD1 ILE A 3 -8.096 -15.207 -7.552 1.00 10.30 C ATOM 0 H ILE A 3 -12.008 -14.067 -5.778 1.00 10.95 H new ATOM 0 HA ILE A 3 -10.184 -14.141 -3.498 1.00 10.68 H new ATOM 0 HB ILE A 3 -8.214 -14.350 -4.971 1.00 10.84 H new ATOM 0 HG12 ILE A 3 -10.189 -15.110 -7.146 1.00 10.19 H new ATOM 0 HG13 ILE A 3 -9.367 -13.566 -7.054 1.00 10.19 H new ATOM 0 HG21 ILE A 3 -8.411 -16.778 -5.396 1.00 12.19 H new ATOM 0 HG22 ILE A 3 -9.076 -16.329 -3.807 1.00 12.19 H new ATOM 0 HG23 ILE A 3 -10.172 -16.668 -5.167 1.00 12.19 H new ATOM 0 HD11 ILE A 3 -8.238 -15.067 -8.624 1.00 10.30 H new ATOM 0 HD12 ILE A 3 -7.182 -14.703 -7.239 1.00 10.30 H new ATOM 0 HD13 ILE A 3 -8.017 -16.272 -7.332 1.00 10.30 H new ATOM 56 N PHE A 4 -9.374 -11.809 -4.088 1.00 9.25 N ATOM 57 CA PHE A 4 -9.158 -10.380 -4.263 1.00 8.23 C ATOM 58 C PHE A 4 -7.865 -10.123 -5.026 1.00 7.51 C ATOM 59 O PHE A 4 -6.847 -10.767 -4.774 1.00 7.97 O ATOM 60 CB PHE A 4 -9.117 -9.681 -2.902 1.00 8.76 C ATOM 61 CG PHE A 4 -10.302 -9.998 -2.030 1.00 9.63 C ATOM 62 CD1 PHE A 4 -11.573 -9.575 -2.386 1.00 9.35 C ATOM 63 CD2 PHE A 4 -10.145 -10.722 -0.858 1.00 10.81 C ATOM 64 CE1 PHE A 4 -12.664 -9.867 -1.589 1.00 10.22 C ATOM 65 CE2 PHE A 4 -11.233 -11.016 -0.057 1.00 11.64 C ATOM 66 CZ PHE A 4 -12.493 -10.588 -0.423 1.00 11.33 C ATOM 0 H PHE A 4 -8.868 -12.216 -3.301 1.00 9.25 H new ATOM 0 HA PHE A 4 -9.987 -9.974 -4.843 1.00 8.23 H new ATOM 0 HB2 PHE A 4 -8.204 -9.970 -2.381 1.00 8.76 H new ATOM 0 HB3 PHE A 4 -9.068 -8.603 -3.057 1.00 8.76 H new ATOM 0 HD1 PHE A 4 -11.713 -9.011 -3.296 1.00 9.35 H new ATOM 0 HD2 PHE A 4 -9.161 -11.060 -0.567 1.00 10.81 H new ATOM 0 HE1 PHE A 4 -13.649 -9.532 -1.878 1.00 10.22 H new ATOM 0 HE2 PHE A 4 -11.097 -11.580 0.854 1.00 11.64 H new ATOM 0 HZ PHE A 4 -13.344 -10.816 0.201 1.00 11.33 H new ATOM 76 N VAL A 5 -7.918 -9.186 -5.965 1.00 6.47 N ATOM 77 CA VAL A 5 -6.755 -8.827 -6.767 1.00 5.80 C ATOM 78 C VAL A 5 -6.478 -7.338 -6.625 1.00 4.97 C ATOM 79 O VAL A 5 -7.023 -6.518 -7.367 1.00 4.55 O ATOM 80 CB VAL A 5 -6.952 -9.177 -8.257 1.00 5.60 C ATOM 81 CG1 VAL A 5 -5.680 -8.898 -9.046 1.00 5.38 C ATOM 82 CG2 VAL A 5 -7.377 -10.630 -8.415 1.00 6.66 C ATOM 0 H VAL A 5 -8.761 -8.658 -6.191 1.00 6.47 H new ATOM 0 HA VAL A 5 -5.907 -9.404 -6.400 1.00 5.80 H new ATOM 0 HB VAL A 5 -7.746 -8.545 -8.656 1.00 5.60 H new ATOM 0 HG11 VAL A 5 -5.839 -9.151 -10.094 1.00 5.38 H new ATOM 0 HG12 VAL A 5 -5.424 -7.842 -8.963 1.00 5.38 H new ATOM 0 HG13 VAL A 5 -4.865 -9.501 -8.647 1.00 5.38 H new ATOM 0 HG21 VAL A 5 -7.511 -10.857 -9.473 1.00 6.66 H new ATOM 0 HG22 VAL A 5 -6.609 -11.281 -7.998 1.00 6.66 H new ATOM 0 HG23 VAL A 5 -8.317 -10.794 -7.887 1.00 6.66 H new ATOM 92 N LYS A 6 -5.630 -6.995 -5.664 1.00 4.99 N ATOM 93 CA LYS A 6 -5.295 -5.604 -5.398 1.00 4.54 C ATOM 94 C LYS A 6 -4.313 -5.062 -6.427 1.00 3.66 C ATOM 95 O LYS A 6 -3.679 -5.819 -7.162 1.00 3.73 O ATOM 96 CB LYS A 6 -4.709 -5.467 -3.989 1.00 5.41 C ATOM 97 CG LYS A 6 -4.359 -4.037 -3.605 1.00 5.62 C ATOM 98 CD LYS A 6 -3.884 -3.941 -2.164 1.00 6.25 C ATOM 99 CE LYS A 6 -3.504 -2.515 -1.796 1.00 6.57 C ATOM 100 NZ LYS A 6 -2.443 -1.975 -2.690 1.00 6.86 N ATOM 0 H LYS A 6 -5.161 -7.665 -5.054 1.00 4.99 H new ATOM 0 HA LYS A 6 -6.211 -5.018 -5.468 1.00 4.54 H new ATOM 0 HB2 LYS A 6 -5.425 -5.862 -3.268 1.00 5.41 H new ATOM 0 HB3 LYS A 6 -3.812 -6.082 -3.917 1.00 5.41 H new ATOM 0 HG2 LYS A 6 -3.581 -3.662 -4.270 1.00 5.62 H new ATOM 0 HG3 LYS A 6 -5.232 -3.399 -3.744 1.00 5.62 H new ATOM 0 HD2 LYS A 6 -4.671 -4.293 -1.496 1.00 6.25 H new ATOM 0 HD3 LYS A 6 -3.025 -4.597 -2.018 1.00 6.25 H new ATOM 0 HE2 LYS A 6 -4.386 -1.878 -1.854 1.00 6.57 H new ATOM 0 HE3 LYS A 6 -3.157 -2.487 -0.763 1.00 6.57 H new ATOM 0 HZ1 LYS A 6 -2.200 -1.008 -2.396 1.00 6.86 H new ATOM 0 HZ2 LYS A 6 -1.598 -2.578 -2.629 1.00 6.86 H new ATOM 0 HZ3 LYS A 6 -2.789 -1.962 -3.671 1.00 6.86 H new ATOM 114 N THR A 7 -4.200 -3.739 -6.466 1.00 3.27 N ATOM 115 CA THR A 7 -3.300 -3.062 -7.388 1.00 2.97 C ATOM 116 C THR A 7 -2.690 -1.835 -6.717 1.00 3.21 C ATOM 117 O THR A 7 -3.226 -1.327 -5.731 1.00 3.79 O ATOM 118 CB THR A 7 -4.036 -2.635 -8.675 1.00 3.37 C ATOM 119 OG1 THR A 7 -4.790 -3.737 -9.196 1.00 3.78 O ATOM 120 CG2 THR A 7 -3.054 -2.150 -9.734 1.00 3.68 C ATOM 0 H THR A 7 -4.728 -3.109 -5.862 1.00 3.27 H new ATOM 0 HA THR A 7 -2.510 -3.762 -7.660 1.00 2.97 H new ATOM 0 HB THR A 7 -4.708 -1.815 -8.422 1.00 3.37 H new ATOM 0 HG1 THR A 7 -5.675 -3.756 -8.776 1.00 3.78 H new ATOM 0 HG21 THR A 7 -3.601 -1.856 -10.630 1.00 3.68 H new ATOM 0 HG22 THR A 7 -2.499 -1.294 -9.350 1.00 3.68 H new ATOM 0 HG23 THR A 7 -2.359 -2.953 -9.981 1.00 3.68 H new ATOM 128 N LEU A 8 -1.565 -1.368 -7.248 1.00 3.26 N ATOM 129 CA LEU A 8 -0.879 -0.201 -6.698 1.00 3.74 C ATOM 130 C LEU A 8 -1.754 1.050 -6.781 1.00 4.78 C ATOM 131 O LEU A 8 -1.552 2.007 -6.033 1.00 5.48 O ATOM 132 CB LEU A 8 0.443 0.027 -7.439 1.00 3.85 C ATOM 133 CG LEU A 8 0.346 0.046 -8.972 1.00 3.89 C ATOM 134 CD1 LEU A 8 -0.022 1.434 -9.482 1.00 4.36 C ATOM 135 CD2 LEU A 8 1.656 -0.420 -9.593 1.00 4.09 C ATOM 0 H LEU A 8 -1.107 -1.780 -8.061 1.00 3.26 H new ATOM 0 HA LEU A 8 -0.673 -0.395 -5.645 1.00 3.74 H new ATOM 0 HB2 LEU A 8 0.867 0.975 -7.107 1.00 3.85 H new ATOM 0 HB3 LEU A 8 1.143 -0.755 -7.146 1.00 3.85 H new ATOM 0 HG LEU A 8 -0.446 -0.642 -9.269 1.00 3.89 H new ATOM 0 HD11 LEU A 8 -0.083 1.417 -10.570 1.00 4.36 H new ATOM 0 HD12 LEU A 8 -0.986 1.730 -9.069 1.00 4.36 H new ATOM 0 HD13 LEU A 8 0.740 2.149 -9.173 1.00 4.36 H new ATOM 0 HD21 LEU A 8 1.571 -0.401 -10.679 1.00 4.09 H new ATOM 0 HD22 LEU A 8 2.463 0.243 -9.281 1.00 4.09 H new ATOM 0 HD23 LEU A 8 1.873 -1.436 -9.264 1.00 4.09 H new ATOM 147 N THR A 9 -2.724 1.034 -7.692 1.00 5.08 N ATOM 148 CA THR A 9 -3.628 2.168 -7.873 1.00 6.24 C ATOM 149 C THR A 9 -4.757 2.147 -6.843 1.00 6.58 C ATOM 150 O THR A 9 -5.468 3.137 -6.669 1.00 7.61 O ATOM 151 CB THR A 9 -4.234 2.185 -9.292 1.00 6.63 C ATOM 152 OG1 THR A 9 -5.082 3.329 -9.450 1.00 5.90 O ATOM 153 CG2 THR A 9 -5.031 0.918 -9.566 1.00 7.65 C ATOM 0 H THR A 9 -2.905 0.248 -8.317 1.00 5.08 H new ATOM 0 HA THR A 9 -3.033 3.071 -7.732 1.00 6.24 H new ATOM 0 HB THR A 9 -3.413 2.236 -10.007 1.00 6.63 H new ATOM 0 HG1 THR A 9 -5.334 3.674 -8.568 1.00 5.90 H new ATOM 0 HG21 THR A 9 -5.445 0.960 -10.573 1.00 7.65 H new ATOM 0 HG22 THR A 9 -4.377 0.051 -9.478 1.00 7.65 H new ATOM 0 HG23 THR A 9 -5.842 0.835 -8.843 1.00 7.65 H new ATOM 161 N GLY A 10 -4.913 1.011 -6.164 1.00 5.95 N ATOM 162 CA GLY A 10 -5.955 0.875 -5.158 1.00 6.60 C ATOM 163 C GLY A 10 -7.199 0.198 -5.700 1.00 6.46 C ATOM 164 O GLY A 10 -8.252 0.217 -5.061 1.00 7.08 O ATOM 0 H GLY A 10 -4.335 0.181 -6.293 1.00 5.95 H new ATOM 0 HA2 GLY A 10 -5.570 0.300 -4.316 1.00 6.60 H new ATOM 0 HA3 GLY A 10 -6.219 1.861 -4.777 1.00 6.60 H new ATOM 168 N LYS A 11 -7.075 -0.401 -6.883 1.00 5.81 N ATOM 169 CA LYS A 11 -8.197 -1.084 -7.520 1.00 5.70 C ATOM 170 C LYS A 11 -8.209 -2.573 -7.184 1.00 5.01 C ATOM 171 O LYS A 11 -7.337 -3.327 -7.618 1.00 4.26 O ATOM 172 CB LYS A 11 -8.145 -0.890 -9.039 1.00 5.63 C ATOM 173 CG LYS A 11 -9.325 -1.507 -9.775 1.00 5.81 C ATOM 174 CD LYS A 11 -9.333 -1.121 -11.247 1.00 6.13 C ATOM 175 CE LYS A 11 -10.528 -1.718 -11.975 1.00 6.58 C ATOM 176 NZ LYS A 11 -10.609 -1.254 -13.388 1.00 6.35 N ATOM 0 H LYS A 11 -6.208 -0.427 -7.419 1.00 5.81 H new ATOM 0 HA LYS A 11 -9.116 -0.644 -7.133 1.00 5.70 H new ATOM 0 HB2 LYS A 11 -8.108 0.177 -9.259 1.00 5.63 H new ATOM 0 HB3 LYS A 11 -7.222 -1.326 -9.421 1.00 5.63 H new ATOM 0 HG2 LYS A 11 -9.284 -2.592 -9.683 1.00 5.81 H new ATOM 0 HG3 LYS A 11 -10.255 -1.183 -9.308 1.00 5.81 H new ATOM 0 HD2 LYS A 11 -9.355 -0.035 -11.339 1.00 6.13 H new ATOM 0 HD3 LYS A 11 -8.411 -1.462 -11.718 1.00 6.13 H new ATOM 0 HE2 LYS A 11 -10.459 -2.806 -11.954 1.00 6.58 H new ATOM 0 HE3 LYS A 11 -11.444 -1.446 -11.451 1.00 6.58 H new ATOM 0 HZ1 LYS A 11 -11.552 -1.469 -13.770 1.00 6.35 H new ATOM 0 HZ2 LYS A 11 -10.445 -0.228 -13.426 1.00 6.35 H new ATOM 0 HZ3 LYS A 11 -9.886 -1.741 -13.955 1.00 6.35 H new ATOM 190 N THR A 12 -9.207 -2.982 -6.403 1.00 5.57 N ATOM 191 CA THR A 12 -9.363 -4.379 -6.010 1.00 5.50 C ATOM 192 C THR A 12 -10.402 -5.060 -6.894 1.00 5.42 C ATOM 193 O THR A 12 -11.537 -4.592 -7.003 1.00 6.02 O ATOM 194 CB THR A 12 -9.792 -4.506 -4.533 1.00 6.58 C ATOM 195 OG1 THR A 12 -11.010 -3.785 -4.311 1.00 6.95 O ATOM 196 CG2 THR A 12 -8.708 -3.978 -3.603 1.00 6.85 C ATOM 0 H THR A 12 -9.924 -2.360 -6.028 1.00 5.57 H new ATOM 0 HA THR A 12 -8.395 -4.865 -6.133 1.00 5.50 H new ATOM 0 HB THR A 12 -9.950 -5.562 -4.316 1.00 6.58 H new ATOM 0 HG1 THR A 12 -11.570 -3.834 -5.114 1.00 6.95 H new ATOM 0 HG21 THR A 12 -9.035 -4.079 -2.568 1.00 6.85 H new ATOM 0 HG22 THR A 12 -7.792 -4.549 -3.751 1.00 6.85 H new ATOM 0 HG23 THR A 12 -8.520 -2.927 -3.823 1.00 6.85 H new ATOM 204 N ILE A 13 -10.010 -6.164 -7.524 1.00 4.88 N ATOM 205 CA ILE A 13 -10.906 -6.899 -8.412 1.00 5.00 C ATOM 206 C ILE A 13 -11.173 -8.305 -7.886 1.00 5.65 C ATOM 207 O ILE A 13 -10.284 -8.953 -7.335 1.00 5.97 O ATOM 208 CB ILE A 13 -10.320 -6.999 -9.837 1.00 4.65 C ATOM 209 CG1 ILE A 13 -9.832 -5.625 -10.312 1.00 4.64 C ATOM 210 CG2 ILE A 13 -11.357 -7.565 -10.800 1.00 4.57 C ATOM 211 CD1 ILE A 13 -9.158 -5.653 -11.668 1.00 5.04 C ATOM 0 H ILE A 13 -9.078 -6.569 -7.436 1.00 4.88 H new ATOM 0 HA ILE A 13 -11.844 -6.345 -8.447 1.00 5.00 H new ATOM 0 HB ILE A 13 -9.467 -7.677 -9.816 1.00 4.65 H new ATOM 0 HG12 ILE A 13 -10.680 -4.942 -10.352 1.00 4.64 H new ATOM 0 HG13 ILE A 13 -9.134 -5.223 -9.577 1.00 4.64 H new ATOM 0 HG21 ILE A 13 -10.928 -7.629 -11.800 1.00 4.57 H new ATOM 0 HG22 ILE A 13 -11.656 -8.560 -10.469 1.00 4.57 H new ATOM 0 HG23 ILE A 13 -12.229 -6.912 -10.820 1.00 4.57 H new ATOM 0 HD11 ILE A 13 -8.840 -4.646 -11.937 1.00 5.04 H new ATOM 0 HD12 ILE A 13 -8.289 -6.310 -11.629 1.00 5.04 H new ATOM 0 HD13 ILE A 13 -9.859 -6.024 -12.415 1.00 5.04 H new ATOM 223 N THR A 14 -12.404 -8.768 -8.067 1.00 6.06 N ATOM 224 CA THR A 14 -12.802 -10.098 -7.619 1.00 6.90 C ATOM 225 C THR A 14 -12.742 -11.097 -8.773 1.00 7.04 C ATOM 226 O THR A 14 -13.129 -10.777 -9.898 1.00 6.70 O ATOM 227 CB THR A 14 -14.226 -10.086 -7.030 1.00 7.48 C ATOM 228 OG1 THR A 14 -15.163 -9.632 -8.016 1.00 7.14 O ATOM 229 CG2 THR A 14 -14.298 -9.185 -5.805 1.00 8.28 C ATOM 0 H THR A 14 -13.148 -8.239 -8.523 1.00 6.06 H new ATOM 0 HA THR A 14 -12.102 -10.402 -6.841 1.00 6.90 H new ATOM 0 HB THR A 14 -14.478 -11.103 -6.731 1.00 7.48 H new ATOM 0 HG1 THR A 14 -16.065 -9.629 -7.633 1.00 7.14 H new ATOM 0 HG21 THR A 14 -15.313 -9.193 -5.407 1.00 8.28 H new ATOM 0 HG22 THR A 14 -13.607 -9.549 -5.045 1.00 8.28 H new ATOM 0 HG23 THR A 14 -14.026 -8.167 -6.085 1.00 8.28 H new ATOM 237 N LEU A 15 -12.253 -12.304 -8.491 1.00 7.82 N ATOM 238 CA LEU A 15 -12.143 -13.349 -9.508 1.00 8.34 C ATOM 239 C LEU A 15 -12.529 -14.708 -8.924 1.00 9.47 C ATOM 240 O LEU A 15 -12.352 -14.950 -7.730 1.00 10.02 O ATOM 241 CB LEU A 15 -10.718 -13.402 -10.068 1.00 8.35 C ATOM 242 CG LEU A 15 -10.453 -14.525 -11.077 1.00 8.95 C ATOM 243 CD1 LEU A 15 -11.368 -14.392 -12.286 1.00 8.50 C ATOM 244 CD2 LEU A 15 -8.993 -14.517 -11.510 1.00 9.28 C ATOM 0 H LEU A 15 -11.926 -12.583 -7.566 1.00 7.82 H new ATOM 0 HA LEU A 15 -12.830 -13.111 -10.320 1.00 8.34 H new ATOM 0 HB2 LEU A 15 -10.497 -12.447 -10.545 1.00 8.35 H new ATOM 0 HB3 LEU A 15 -10.022 -13.511 -9.236 1.00 8.35 H new ATOM 0 HG LEU A 15 -10.666 -15.478 -10.592 1.00 8.95 H new ATOM 0 HD11 LEU A 15 -11.162 -15.199 -12.989 1.00 8.50 H new ATOM 0 HD12 LEU A 15 -12.408 -14.448 -11.963 1.00 8.50 H new ATOM 0 HD13 LEU A 15 -11.190 -13.433 -12.773 1.00 8.50 H new ATOM 0 HD21 LEU A 15 -8.822 -15.320 -12.226 1.00 9.28 H new ATOM 0 HD22 LEU A 15 -8.757 -13.560 -11.975 1.00 9.28 H new ATOM 0 HD23 LEU A 15 -8.354 -14.665 -10.639 1.00 9.28 H new ATOM 256 N GLU A 16 -13.052 -15.595 -9.772 1.00 9.94 N ATOM 257 CA GLU A 16 -13.470 -16.924 -9.330 1.00 11.04 C ATOM 258 C GLU A 16 -12.571 -18.015 -9.916 1.00 11.87 C ATOM 259 O GLU A 16 -12.662 -18.335 -11.102 1.00 12.00 O ATOM 260 CB GLU A 16 -14.929 -17.182 -9.725 1.00 11.14 C ATOM 261 CG GLU A 16 -15.567 -18.356 -8.992 1.00 10.90 C ATOM 262 CD GLU A 16 -14.811 -19.658 -9.187 1.00 11.52 C ATOM 263 OE1 GLU A 16 -15.055 -20.343 -10.203 1.00 11.47 O ATOM 264 OE2 GLU A 16 -13.972 -19.993 -8.324 1.00 12.19 O ATOM 0 H GLU A 16 -13.196 -15.417 -10.766 1.00 9.94 H new ATOM 0 HA GLU A 16 -13.380 -16.956 -8.244 1.00 11.04 H new ATOM 0 HB2 GLU A 16 -15.513 -16.283 -9.529 1.00 11.14 H new ATOM 0 HB3 GLU A 16 -14.978 -17.366 -10.798 1.00 11.14 H new ATOM 0 HG2 GLU A 16 -15.618 -18.128 -7.927 1.00 10.90 H new ATOM 0 HG3 GLU A 16 -16.592 -18.482 -9.341 1.00 10.90 H new ATOM 271 N VAL A 17 -11.709 -18.586 -9.071 1.00 12.56 N ATOM 272 CA VAL A 17 -10.797 -19.651 -9.492 1.00 13.49 C ATOM 273 C VAL A 17 -10.392 -20.537 -8.309 1.00 14.65 C ATOM 274 O VAL A 17 -9.713 -20.082 -7.388 1.00 14.73 O ATOM 275 CB VAL A 17 -9.520 -19.083 -10.156 1.00 13.20 C ATOM 276 CG1 VAL A 17 -9.821 -18.559 -11.555 1.00 12.43 C ATOM 277 CG2 VAL A 17 -8.902 -17.988 -9.295 1.00 12.71 C ATOM 0 H VAL A 17 -11.624 -18.327 -8.088 1.00 12.56 H new ATOM 0 HA VAL A 17 -11.339 -20.250 -10.224 1.00 13.49 H new ATOM 0 HB VAL A 17 -8.799 -19.895 -10.245 1.00 13.20 H new ATOM 0 HG11 VAL A 17 -8.907 -18.165 -12.000 1.00 12.43 H new ATOM 0 HG12 VAL A 17 -10.205 -19.371 -12.173 1.00 12.43 H new ATOM 0 HG13 VAL A 17 -10.566 -17.766 -11.494 1.00 12.43 H new ATOM 0 HG21 VAL A 17 -8.006 -17.604 -9.782 1.00 12.71 H new ATOM 0 HG22 VAL A 17 -9.620 -17.178 -9.166 1.00 12.71 H new ATOM 0 HG23 VAL A 17 -8.638 -18.397 -8.320 1.00 12.71 H new ATOM 287 N GLU A 18 -10.823 -21.803 -8.332 1.00 15.63 N ATOM 288 CA GLU A 18 -10.512 -22.763 -7.267 1.00 16.83 C ATOM 289 C GLU A 18 -9.006 -23.004 -7.102 1.00 17.34 C ATOM 290 O GLU A 18 -8.199 -22.533 -7.901 1.00 16.99 O ATOM 291 CB GLU A 18 -11.219 -24.093 -7.567 1.00 17.72 C ATOM 292 CG GLU A 18 -12.685 -24.127 -7.150 1.00 17.49 C ATOM 293 CD GLU A 18 -13.545 -23.120 -7.894 1.00 17.64 C ATOM 294 OE1 GLU A 18 -13.341 -22.942 -9.114 1.00 18.57 O ATOM 295 OE2 GLU A 18 -14.433 -22.516 -7.257 1.00 16.92 O ATOM 0 H GLU A 18 -11.394 -22.189 -9.084 1.00 15.63 H new ATOM 0 HA GLU A 18 -10.869 -22.338 -6.329 1.00 16.83 H new ATOM 0 HB2 GLU A 18 -11.152 -24.295 -8.636 1.00 17.72 H new ATOM 0 HB3 GLU A 18 -10.689 -24.897 -7.057 1.00 17.72 H new ATOM 0 HG2 GLU A 18 -13.081 -25.128 -7.320 1.00 17.49 H new ATOM 0 HG3 GLU A 18 -12.756 -23.934 -6.080 1.00 17.49 H new ATOM 302 N PRO A 19 -8.619 -23.748 -6.037 1.00 18.22 N ATOM 303 CA PRO A 19 -7.212 -24.071 -5.744 1.00 18.80 C ATOM 304 C PRO A 19 -6.522 -24.842 -6.871 1.00 19.40 C ATOM 305 O PRO A 19 -5.356 -24.592 -7.181 1.00 19.49 O ATOM 306 CB PRO A 19 -7.295 -24.937 -4.480 1.00 19.89 C ATOM 307 CG PRO A 19 -8.604 -24.586 -3.866 1.00 19.55 C ATOM 308 CD PRO A 19 -9.526 -24.310 -5.017 1.00 18.79 C ATOM 0 HA PRO A 19 -6.617 -23.166 -5.625 1.00 18.80 H new ATOM 0 HB2 PRO A 19 -7.244 -25.998 -4.723 1.00 19.89 H new ATOM 0 HB3 PRO A 19 -6.470 -24.726 -3.800 1.00 19.89 H new ATOM 0 HG2 PRO A 19 -8.980 -25.403 -3.249 1.00 19.55 H new ATOM 0 HG3 PRO A 19 -8.512 -23.714 -3.219 1.00 19.55 H new ATOM 0 HD2 PRO A 19 -10.017 -25.218 -5.368 1.00 18.79 H new ATOM 0 HD3 PRO A 19 -10.313 -23.607 -4.745 1.00 18.79 H new ATOM 316 N SER A 20 -7.248 -25.778 -7.478 1.00 19.87 N ATOM 317 CA SER A 20 -6.707 -26.598 -8.564 1.00 20.59 C ATOM 318 C SER A 20 -6.299 -25.747 -9.768 1.00 19.81 C ATOM 319 O SER A 20 -5.425 -26.136 -10.542 1.00 20.40 O ATOM 320 CB SER A 20 -7.740 -27.641 -8.996 1.00 21.46 C ATOM 321 OG SER A 20 -8.939 -27.022 -9.430 1.00 21.29 O ATOM 0 H SER A 20 -8.216 -25.989 -7.236 1.00 19.87 H new ATOM 0 HA SER A 20 -5.814 -27.097 -8.188 1.00 20.59 H new ATOM 0 HB2 SER A 20 -7.330 -28.252 -9.801 1.00 21.46 H new ATOM 0 HB3 SER A 20 -7.954 -28.312 -8.164 1.00 21.46 H new ATOM 0 HG SER A 20 -9.582 -27.710 -9.702 1.00 21.29 H new ATOM 327 N ASP A 21 -6.936 -24.587 -9.918 1.00 18.56 N ATOM 328 CA ASP A 21 -6.648 -23.685 -11.034 1.00 17.80 C ATOM 329 C ASP A 21 -5.164 -23.330 -11.103 1.00 17.76 C ATOM 330 O ASP A 21 -4.470 -23.311 -10.086 1.00 17.65 O ATOM 331 CB ASP A 21 -7.477 -22.403 -10.913 1.00 16.48 C ATOM 332 CG ASP A 21 -8.969 -22.657 -11.038 1.00 16.21 C ATOM 333 OD1 ASP A 21 -9.505 -23.453 -10.239 1.00 15.53 O ATOM 334 OD2 ASP A 21 -9.599 -22.063 -11.937 1.00 16.77 O ATOM 0 H ASP A 21 -7.656 -24.248 -9.280 1.00 18.56 H new ATOM 0 HA ASP A 21 -6.917 -24.207 -11.952 1.00 17.80 H new ATOM 0 HB2 ASP A 21 -7.272 -21.932 -9.952 1.00 16.48 H new ATOM 0 HB3 ASP A 21 -7.166 -21.700 -11.686 1.00 16.48 H new ATOM 339 N THR A 22 -4.690 -23.049 -12.316 1.00 17.95 N ATOM 340 CA THR A 22 -3.294 -22.686 -12.537 1.00 18.00 C ATOM 341 C THR A 22 -3.124 -21.170 -12.557 1.00 16.68 C ATOM 342 O THR A 22 -4.031 -20.442 -12.961 1.00 15.89 O ATOM 343 CB THR A 22 -2.763 -23.261 -13.864 1.00 18.92 C ATOM 344 OG1 THR A 22 -3.544 -22.768 -14.960 1.00 19.12 O ATOM 345 CG2 THR A 22 -2.798 -24.783 -13.854 1.00 20.15 C ATOM 0 H THR A 22 -5.257 -23.066 -13.164 1.00 17.95 H new ATOM 0 HA THR A 22 -2.723 -23.110 -11.712 1.00 18.00 H new ATOM 0 HB THR A 22 -1.728 -22.941 -13.981 1.00 18.92 H new ATOM 0 HG1 THR A 22 -3.199 -23.137 -15.800 1.00 19.12 H new ATOM 0 HG21 THR A 22 -2.418 -25.162 -14.803 1.00 20.15 H new ATOM 0 HG22 THR A 22 -2.177 -25.156 -13.039 1.00 20.15 H new ATOM 0 HG23 THR A 22 -3.824 -25.122 -13.713 1.00 20.15 H new ATOM 353 N ILE A 23 -1.956 -20.703 -12.128 1.00 16.47 N ATOM 354 CA ILE A 23 -1.663 -19.275 -12.095 1.00 15.26 C ATOM 355 C ILE A 23 -1.786 -18.657 -13.484 1.00 15.04 C ATOM 356 O ILE A 23 -2.252 -17.527 -13.629 1.00 14.00 O ATOM 357 CB ILE A 23 -0.249 -19.004 -11.540 1.00 15.26 C ATOM 358 CG1 ILE A 23 -0.090 -19.623 -10.145 1.00 15.58 C ATOM 359 CG2 ILE A 23 0.035 -17.507 -11.498 1.00 14.03 C ATOM 360 CD1 ILE A 23 -1.132 -19.163 -9.147 1.00 14.76 C ATOM 0 H ILE A 23 -1.194 -21.295 -11.797 1.00 16.47 H new ATOM 0 HA ILE A 23 -2.396 -18.815 -11.433 1.00 15.26 H new ATOM 0 HB ILE A 23 0.476 -19.470 -12.207 1.00 15.26 H new ATOM 0 HG12 ILE A 23 -0.139 -20.708 -10.232 1.00 15.58 H new ATOM 0 HG13 ILE A 23 0.900 -19.378 -9.760 1.00 15.58 H new ATOM 0 HG21 ILE A 23 1.037 -17.338 -11.104 1.00 14.03 H new ATOM 0 HG22 ILE A 23 -0.033 -17.095 -12.505 1.00 14.03 H new ATOM 0 HG23 ILE A 23 -0.696 -17.016 -10.855 1.00 14.03 H new ATOM 0 HD11 ILE A 23 -0.952 -19.644 -8.186 1.00 14.76 H new ATOM 0 HD12 ILE A 23 -1.070 -18.081 -9.029 1.00 14.76 H new ATOM 0 HD13 ILE A 23 -2.125 -19.432 -9.508 1.00 14.76 H new ATOM 372 N GLU A 24 -1.363 -19.401 -14.505 1.00 16.12 N ATOM 373 CA GLU A 24 -1.441 -18.919 -15.879 1.00 16.23 C ATOM 374 C GLU A 24 -2.893 -18.643 -16.253 1.00 15.75 C ATOM 375 O GLU A 24 -3.198 -17.650 -16.916 1.00 15.19 O ATOM 376 CB GLU A 24 -0.829 -19.938 -16.845 1.00 17.64 C ATOM 377 CG GLU A 24 -0.717 -19.430 -18.276 1.00 17.99 C ATOM 378 CD GLU A 24 0.126 -18.172 -18.385 1.00 19.37 C ATOM 379 OE1 GLU A 24 -0.431 -17.066 -18.215 1.00 19.99 O ATOM 380 OE2 GLU A 24 1.343 -18.292 -18.639 1.00 19.87 O ATOM 0 H GLU A 24 -0.965 -20.335 -14.406 1.00 16.12 H new ATOM 0 HA GLU A 24 -0.873 -17.992 -15.954 1.00 16.23 H new ATOM 0 HB2 GLU A 24 0.163 -20.215 -16.488 1.00 17.64 H new ATOM 0 HB3 GLU A 24 -1.435 -20.844 -16.836 1.00 17.64 H new ATOM 0 HG2 GLU A 24 -0.282 -20.210 -18.901 1.00 17.99 H new ATOM 0 HG3 GLU A 24 -1.715 -19.229 -18.665 1.00 17.99 H new ATOM 387 N ASN A 25 -3.786 -19.530 -15.816 1.00 16.04 N ATOM 388 CA ASN A 25 -5.211 -19.381 -16.083 1.00 15.65 C ATOM 389 C ASN A 25 -5.746 -18.137 -15.382 1.00 14.26 C ATOM 390 O ASN A 25 -6.537 -17.384 -15.950 1.00 13.66 O ATOM 391 CB ASN A 25 -5.978 -20.620 -15.613 1.00 16.38 C ATOM 392 CG ASN A 25 -7.476 -20.486 -15.811 1.00 16.31 C ATOM 393 OD1 ASN A 25 -8.161 -19.958 -14.803 1.00 16.31 O flip ATOM 394 ND2 ASN A 25 -8.010 -20.850 -16.858 1.00 16.35 N flip ATOM 0 H ASN A 25 -3.544 -20.360 -15.275 1.00 16.04 H new ATOM 0 HA ASN A 25 -5.354 -19.273 -17.158 1.00 15.65 H new ATOM 0 HB2 ASN A 25 -5.620 -21.493 -16.158 1.00 16.38 H new ATOM 0 HB3 ASN A 25 -5.768 -20.794 -14.558 1.00 16.38 H new ATOM 0 HD21 ASN A 25 -7.445 -21.250 -17.607 1.00 16.35 H new ATOM 0 HD22 ASN A 25 -9.018 -20.751 -16.977 1.00 16.35 H new ATOM 401 N VAL A 26 -5.303 -17.929 -14.143 1.00 13.80 N ATOM 402 CA VAL A 26 -5.723 -16.772 -13.360 1.00 12.52 C ATOM 403 C VAL A 26 -5.406 -15.481 -14.105 1.00 11.74 C ATOM 404 O VAL A 26 -6.248 -14.590 -14.211 1.00 10.85 O ATOM 405 CB VAL A 26 -5.033 -16.742 -11.978 1.00 12.37 C ATOM 406 CG1 VAL A 26 -5.401 -15.478 -11.213 1.00 11.07 C ATOM 407 CG2 VAL A 26 -5.393 -17.981 -11.171 1.00 13.28 C ATOM 0 H VAL A 26 -4.652 -18.549 -13.661 1.00 13.80 H new ATOM 0 HA VAL A 26 -6.799 -16.856 -13.210 1.00 12.52 H new ATOM 0 HB VAL A 26 -3.955 -16.738 -12.139 1.00 12.37 H new ATOM 0 HG11 VAL A 26 -4.902 -15.481 -10.244 1.00 11.07 H new ATOM 0 HG12 VAL A 26 -5.084 -14.604 -11.781 1.00 11.07 H new ATOM 0 HG13 VAL A 26 -6.480 -15.443 -11.066 1.00 11.07 H new ATOM 0 HG21 VAL A 26 -4.897 -17.940 -10.201 1.00 13.28 H new ATOM 0 HG22 VAL A 26 -6.473 -18.019 -11.025 1.00 13.28 H new ATOM 0 HG23 VAL A 26 -5.068 -18.872 -11.708 1.00 13.28 H new ATOM 417 N LYS A 27 -4.182 -15.392 -14.620 1.00 12.21 N ATOM 418 CA LYS A 27 -3.746 -14.218 -15.367 1.00 11.77 C ATOM 419 C LYS A 27 -4.621 -14.012 -16.598 1.00 11.96 C ATOM 420 O LYS A 27 -4.921 -12.879 -16.976 1.00 11.29 O ATOM 421 CB LYS A 27 -2.282 -14.368 -15.779 1.00 12.57 C ATOM 422 CG LYS A 27 -1.313 -14.311 -14.609 1.00 12.29 C ATOM 423 CD LYS A 27 0.068 -14.809 -15.003 1.00 13.09 C ATOM 424 CE LYS A 27 1.107 -14.466 -13.947 1.00 12.80 C ATOM 425 NZ LYS A 27 1.361 -13.001 -13.878 1.00 13.67 N ATOM 0 H LYS A 27 -3.474 -16.121 -14.533 1.00 12.21 H new ATOM 0 HA LYS A 27 -3.843 -13.343 -14.724 1.00 11.77 H new ATOM 0 HB2 LYS A 27 -2.155 -15.317 -16.300 1.00 12.57 H new ATOM 0 HB3 LYS A 27 -2.030 -13.579 -16.488 1.00 12.57 H new ATOM 0 HG2 LYS A 27 -1.241 -13.286 -14.245 1.00 12.29 H new ATOM 0 HG3 LYS A 27 -1.698 -14.915 -13.787 1.00 12.29 H new ATOM 0 HD2 LYS A 27 0.039 -15.889 -15.149 1.00 13.09 H new ATOM 0 HD3 LYS A 27 0.357 -14.367 -15.956 1.00 13.09 H new ATOM 0 HE2 LYS A 27 0.768 -14.823 -12.974 1.00 12.80 H new ATOM 0 HE3 LYS A 27 2.038 -14.986 -14.171 1.00 12.80 H new ATOM 0 HZ1 LYS A 27 1.648 -12.744 -12.912 1.00 13.67 H new ATOM 0 HZ2 LYS A 27 2.119 -12.748 -14.544 1.00 13.67 H new ATOM 0 HZ3 LYS A 27 0.493 -12.486 -14.130 1.00 13.67 H new ATOM 439 N ALA A 28 -5.031 -15.118 -17.215 1.00 12.96 N ATOM 440 CA ALA A 28 -5.884 -15.065 -18.397 1.00 13.31 C ATOM 441 C ALA A 28 -7.254 -14.501 -18.038 1.00 12.36 C ATOM 442 O ALA A 28 -7.857 -13.762 -18.817 1.00 12.18 O ATOM 443 CB ALA A 28 -6.020 -16.449 -19.015 1.00 14.55 C ATOM 0 H ALA A 28 -4.785 -16.061 -16.915 1.00 12.96 H new ATOM 0 HA ALA A 28 -5.422 -14.405 -19.131 1.00 13.31 H new ATOM 0 HB1 ALA A 28 -6.659 -16.393 -19.896 1.00 14.55 H new ATOM 0 HB2 ALA A 28 -5.035 -16.817 -19.304 1.00 14.55 H new ATOM 0 HB3 ALA A 28 -6.463 -17.130 -18.288 1.00 14.55 H new ATOM 449 N LYS A 29 -7.736 -14.855 -16.847 1.00 11.88 N ATOM 450 CA LYS A 29 -9.030 -14.380 -16.370 1.00 11.02 C ATOM 451 C LYS A 29 -8.988 -12.871 -16.163 1.00 9.90 C ATOM 452 O LYS A 29 -9.859 -12.144 -16.636 1.00 9.41 O ATOM 453 CB LYS A 29 -9.413 -15.077 -15.062 1.00 10.98 C ATOM 454 CG LYS A 29 -9.624 -16.578 -15.200 1.00 12.12 C ATOM 455 CD LYS A 29 -10.881 -16.900 -15.995 1.00 12.25 C ATOM 456 CE LYS A 29 -11.092 -18.401 -16.128 1.00 13.42 C ATOM 457 NZ LYS A 29 -11.246 -19.061 -14.802 1.00 13.70 N ATOM 0 H LYS A 29 -7.248 -15.470 -16.196 1.00 11.88 H new ATOM 0 HA LYS A 29 -9.783 -14.617 -17.122 1.00 11.02 H new ATOM 0 HB2 LYS A 29 -8.632 -14.897 -14.324 1.00 10.98 H new ATOM 0 HB3 LYS A 29 -10.327 -14.626 -14.676 1.00 10.98 H new ATOM 0 HG2 LYS A 29 -8.759 -17.023 -15.691 1.00 12.12 H new ATOM 0 HG3 LYS A 29 -9.695 -17.028 -14.210 1.00 12.12 H new ATOM 0 HD2 LYS A 29 -11.746 -16.453 -15.505 1.00 12.25 H new ATOM 0 HD3 LYS A 29 -10.809 -16.453 -16.987 1.00 12.25 H new ATOM 0 HE2 LYS A 29 -11.979 -18.591 -16.733 1.00 13.42 H new ATOM 0 HE3 LYS A 29 -10.246 -18.841 -16.656 1.00 13.42 H new ATOM 0 HZ1 LYS A 29 -11.950 -19.823 -14.873 1.00 13.70 H new ATOM 0 HZ2 LYS A 29 -10.333 -19.460 -14.504 1.00 13.70 H new ATOM 0 HZ3 LYS A 29 -11.563 -18.362 -14.101 1.00 13.70 H new ATOM 471 N ILE A 30 -7.963 -12.409 -15.451 1.00 9.57 N ATOM 472 CA ILE A 30 -7.792 -10.987 -15.188 1.00 8.57 C ATOM 473 C ILE A 30 -7.716 -10.207 -16.499 1.00 8.97 C ATOM 474 O ILE A 30 -8.278 -9.121 -16.620 1.00 8.49 O ATOM 475 CB ILE A 30 -6.519 -10.719 -14.357 1.00 8.26 C ATOM 476 CG1 ILE A 30 -6.591 -11.460 -13.017 1.00 8.10 C ATOM 477 CG2 ILE A 30 -6.332 -9.224 -14.133 1.00 7.34 C ATOM 478 CD1 ILE A 30 -5.300 -11.411 -12.225 1.00 8.06 C ATOM 0 H ILE A 30 -7.238 -13.002 -15.046 1.00 9.57 H new ATOM 0 HA ILE A 30 -8.657 -10.653 -14.616 1.00 8.57 H new ATOM 0 HB ILE A 30 -5.658 -11.092 -14.912 1.00 8.26 H new ATOM 0 HG12 ILE A 30 -7.392 -11.030 -12.416 1.00 8.10 H new ATOM 0 HG13 ILE A 30 -6.855 -12.501 -13.201 1.00 8.10 H new ATOM 0 HG21 ILE A 30 -5.430 -9.054 -13.545 1.00 7.34 H new ATOM 0 HG22 ILE A 30 -6.238 -8.721 -15.095 1.00 7.34 H new ATOM 0 HG23 ILE A 30 -7.194 -8.826 -13.598 1.00 7.34 H new ATOM 0 HD11 ILE A 30 -5.426 -11.956 -11.289 1.00 8.06 H new ATOM 0 HD12 ILE A 30 -4.499 -11.868 -12.806 1.00 8.06 H new ATOM 0 HD13 ILE A 30 -5.045 -10.374 -12.009 1.00 8.06 H new ATOM 490 N GLN A 31 -7.013 -10.774 -17.476 1.00 10.07 N ATOM 491 CA GLN A 31 -6.868 -10.145 -18.786 1.00 10.78 C ATOM 492 C GLN A 31 -8.218 -10.028 -19.490 1.00 10.96 C ATOM 493 O GLN A 31 -8.438 -9.110 -20.276 1.00 11.22 O ATOM 494 CB GLN A 31 -5.896 -10.952 -19.654 1.00 12.02 C ATOM 495 CG GLN A 31 -5.689 -10.372 -21.047 1.00 12.96 C ATOM 496 CD GLN A 31 -4.758 -11.213 -21.900 1.00 14.24 C ATOM 497 OE1 GLN A 31 -4.696 -12.435 -21.755 1.00 14.59 O ATOM 498 NE2 GLN A 31 -4.026 -10.562 -22.796 1.00 15.04 N ATOM 0 H GLN A 31 -6.534 -11.670 -17.385 1.00 10.07 H new ATOM 0 HA GLN A 31 -6.470 -9.141 -18.637 1.00 10.78 H new ATOM 0 HB2 GLN A 31 -4.933 -11.009 -19.147 1.00 12.02 H new ATOM 0 HB3 GLN A 31 -6.268 -11.972 -19.747 1.00 12.02 H new ATOM 0 HG2 GLN A 31 -6.654 -10.285 -21.547 1.00 12.96 H new ATOM 0 HG3 GLN A 31 -5.284 -9.364 -20.960 1.00 12.96 H new ATOM 0 HE21 GLN A 31 -4.108 -9.549 -22.883 1.00 15.04 H new ATOM 0 HE22 GLN A 31 -3.381 -11.075 -23.397 1.00 15.04 H new ATOM 507 N ASP A 32 -9.118 -10.964 -19.204 1.00 10.94 N ATOM 508 CA ASP A 32 -10.444 -10.962 -19.816 1.00 11.14 C ATOM 509 C ASP A 32 -11.282 -9.786 -19.317 1.00 10.25 C ATOM 510 O ASP A 32 -12.027 -9.177 -20.085 1.00 10.60 O ATOM 511 CB ASP A 32 -11.166 -12.282 -19.527 1.00 11.35 C ATOM 512 CG ASP A 32 -12.595 -12.288 -20.039 1.00 11.58 C ATOM 513 OD1 ASP A 32 -12.806 -12.672 -21.209 1.00 12.47 O ATOM 514 OD2 ASP A 32 -13.503 -11.908 -19.269 1.00 10.94 O ATOM 0 H ASP A 32 -8.954 -11.733 -18.554 1.00 10.94 H new ATOM 0 HA ASP A 32 -10.315 -10.855 -20.893 1.00 11.14 H new ATOM 0 HB2 ASP A 32 -10.615 -13.102 -19.988 1.00 11.35 H new ATOM 0 HB3 ASP A 32 -11.168 -12.463 -18.452 1.00 11.35 H new ATOM 519 N LYS A 33 -11.154 -9.472 -18.030 1.00 9.23 N ATOM 520 CA LYS A 33 -11.910 -8.375 -17.428 1.00 8.49 C ATOM 521 C LYS A 33 -11.158 -7.043 -17.512 1.00 8.32 C ATOM 522 O LYS A 33 -11.648 -6.084 -18.109 1.00 8.52 O ATOM 523 CB LYS A 33 -12.231 -8.687 -15.962 1.00 7.63 C ATOM 524 CG LYS A 33 -13.214 -9.836 -15.771 1.00 7.20 C ATOM 525 CD LYS A 33 -12.550 -11.189 -15.986 1.00 6.55 C ATOM 526 CE LYS A 33 -13.503 -12.336 -15.686 1.00 6.99 C ATOM 527 NZ LYS A 33 -13.922 -12.353 -14.257 1.00 6.67 N ATOM 0 H LYS A 33 -10.535 -9.961 -17.384 1.00 9.23 H new ATOM 0 HA LYS A 33 -12.835 -8.277 -17.996 1.00 8.49 H new ATOM 0 HB2 LYS A 33 -11.304 -8.926 -15.441 1.00 7.63 H new ATOM 0 HB3 LYS A 33 -12.639 -7.792 -15.492 1.00 7.63 H new ATOM 0 HG2 LYS A 33 -13.633 -9.792 -14.766 1.00 7.20 H new ATOM 0 HG3 LYS A 33 -14.044 -9.724 -16.468 1.00 7.20 H new ATOM 0 HD2 LYS A 33 -12.202 -11.264 -17.016 1.00 6.55 H new ATOM 0 HD3 LYS A 33 -11.671 -11.269 -15.346 1.00 6.55 H new ATOM 0 HE2 LYS A 33 -14.385 -12.251 -16.321 1.00 6.99 H new ATOM 0 HE3 LYS A 33 -13.022 -13.282 -15.934 1.00 6.99 H new ATOM 0 HZ1 LYS A 33 -14.339 -13.278 -14.029 1.00 6.67 H new ATOM 0 HZ2 LYS A 33 -13.094 -12.187 -13.650 1.00 6.67 H new ATOM 0 HZ3 LYS A 33 -14.626 -11.606 -14.093 1.00 6.67 H new ATOM 541 N GLU A 34 -9.969 -6.991 -16.913 1.00 8.14 N ATOM 542 CA GLU A 34 -9.160 -5.770 -16.885 1.00 8.06 C ATOM 543 C GLU A 34 -8.410 -5.517 -18.199 1.00 9.21 C ATOM 544 O GLU A 34 -7.879 -4.425 -18.409 1.00 9.60 O ATOM 545 CB GLU A 34 -8.166 -5.848 -15.719 1.00 7.25 C ATOM 546 CG GLU A 34 -7.357 -4.577 -15.501 1.00 6.20 C ATOM 547 CD GLU A 34 -8.220 -3.388 -15.126 1.00 6.09 C ATOM 548 OE1 GLU A 34 -8.706 -2.692 -16.043 1.00 6.14 O ATOM 549 OE2 GLU A 34 -8.410 -3.152 -13.914 1.00 6.20 O ATOM 0 H GLU A 34 -9.541 -7.785 -16.437 1.00 8.14 H new ATOM 0 HA GLU A 34 -9.842 -4.931 -16.750 1.00 8.06 H new ATOM 0 HB2 GLU A 34 -8.713 -6.078 -14.805 1.00 7.25 H new ATOM 0 HB3 GLU A 34 -7.480 -6.676 -15.896 1.00 7.25 H new ATOM 0 HG2 GLU A 34 -6.623 -4.750 -14.714 1.00 6.20 H new ATOM 0 HG3 GLU A 34 -6.802 -4.345 -16.410 1.00 6.20 H new ATOM 556 N GLY A 35 -8.373 -6.510 -19.086 1.00 9.92 N ATOM 557 CA GLY A 35 -7.681 -6.341 -20.360 1.00 11.11 C ATOM 558 C GLY A 35 -6.163 -6.435 -20.264 1.00 11.26 C ATOM 559 O GLY A 35 -5.493 -6.639 -21.277 1.00 12.20 O ATOM 0 H GLY A 35 -8.806 -7.424 -18.949 1.00 9.92 H new ATOM 0 HA2 GLY A 35 -8.037 -7.099 -21.057 1.00 11.11 H new ATOM 0 HA3 GLY A 35 -7.948 -5.371 -20.780 1.00 11.11 H new ATOM 563 N ILE A 36 -5.616 -6.292 -19.057 1.00 10.40 N ATOM 564 CA ILE A 36 -4.164 -6.347 -18.863 1.00 10.49 C ATOM 565 C ILE A 36 -3.574 -7.682 -19.320 1.00 11.27 C ATOM 566 O ILE A 36 -4.081 -8.746 -18.968 1.00 11.07 O ATOM 567 CB ILE A 36 -3.774 -6.095 -17.392 1.00 9.23 C ATOM 568 CG1 ILE A 36 -4.562 -7.017 -16.456 1.00 8.55 C ATOM 569 CG2 ILE A 36 -4.000 -4.632 -17.030 1.00 9.38 C ATOM 570 CD1 ILE A 36 -4.235 -6.816 -14.992 1.00 7.28 C ATOM 0 H ILE A 36 -6.151 -6.138 -18.202 1.00 10.40 H new ATOM 0 HA ILE A 36 -3.748 -5.552 -19.481 1.00 10.49 H new ATOM 0 HB ILE A 36 -2.715 -6.320 -17.270 1.00 9.23 H new ATOM 0 HG12 ILE A 36 -5.628 -6.850 -16.608 1.00 8.55 H new ATOM 0 HG13 ILE A 36 -4.360 -8.054 -16.726 1.00 8.55 H new ATOM 0 HG21 ILE A 36 -3.721 -4.467 -15.989 1.00 9.38 H new ATOM 0 HG22 ILE A 36 -3.389 -3.999 -17.674 1.00 9.38 H new ATOM 0 HG23 ILE A 36 -5.052 -4.381 -17.168 1.00 9.38 H new ATOM 0 HD11 ILE A 36 -4.830 -7.502 -14.389 1.00 7.28 H new ATOM 0 HD12 ILE A 36 -3.176 -7.012 -14.826 1.00 7.28 H new ATOM 0 HD13 ILE A 36 -4.464 -5.789 -14.706 1.00 7.28 H new ATOM 582 N PRO A 37 -2.482 -7.634 -20.110 1.00 12.32 N ATOM 583 CA PRO A 37 -1.815 -8.838 -20.621 1.00 13.26 C ATOM 584 C PRO A 37 -1.040 -9.577 -19.530 1.00 12.81 C ATOM 585 O PRO A 37 -0.457 -8.951 -18.645 1.00 12.09 O ATOM 586 CB PRO A 37 -0.858 -8.288 -21.679 1.00 14.23 C ATOM 587 CG PRO A 37 -0.555 -6.903 -21.222 1.00 14.14 C ATOM 588 CD PRO A 37 -1.810 -6.400 -20.562 1.00 12.79 C ATOM 0 HA PRO A 37 -2.526 -9.568 -21.008 1.00 13.26 H new ATOM 0 HB2 PRO A 37 0.048 -8.891 -21.747 1.00 14.23 H new ATOM 0 HB3 PRO A 37 -1.316 -8.289 -22.668 1.00 14.23 H new ATOM 0 HG2 PRO A 37 0.282 -6.897 -20.524 1.00 14.14 H new ATOM 0 HG3 PRO A 37 -0.274 -6.268 -22.062 1.00 14.14 H new ATOM 0 HD2 PRO A 37 -1.586 -5.737 -19.727 1.00 12.79 H new ATOM 0 HD3 PRO A 37 -2.431 -5.837 -21.258 1.00 12.79 H new ATOM 596 N PRO A 38 -1.017 -10.922 -19.589 1.00 13.33 N ATOM 597 CA PRO A 38 -0.312 -11.749 -18.600 1.00 13.21 C ATOM 598 C PRO A 38 1.198 -11.532 -18.632 1.00 13.55 C ATOM 599 O PRO A 38 1.895 -11.801 -17.652 1.00 13.14 O ATOM 600 CB PRO A 38 -0.654 -13.183 -19.019 1.00 14.22 C ATOM 601 CG PRO A 38 -1.014 -13.083 -20.460 1.00 14.34 C ATOM 602 CD PRO A 38 -1.669 -11.742 -20.625 1.00 14.21 C ATOM 0 HA PRO A 38 -0.614 -11.506 -17.581 1.00 13.21 H new ATOM 0 HB2 PRO A 38 0.193 -13.852 -18.869 1.00 14.22 H new ATOM 0 HB3 PRO A 38 -1.482 -13.580 -18.431 1.00 14.22 H new ATOM 0 HG2 PRO A 38 -0.129 -13.166 -21.091 1.00 14.34 H new ATOM 0 HG3 PRO A 38 -1.690 -13.887 -20.751 1.00 14.34 H new ATOM 0 HD2 PRO A 38 -1.507 -11.334 -21.623 1.00 14.21 H new ATOM 0 HD3 PRO A 38 -2.747 -11.799 -20.475 1.00 14.21 H new ATOM 610 N ASP A 39 1.694 -11.042 -19.765 1.00 14.37 N ATOM 611 CA ASP A 39 3.121 -10.790 -19.938 1.00 14.81 C ATOM 612 C ASP A 39 3.598 -9.664 -19.021 1.00 13.75 C ATOM 613 O ASP A 39 4.774 -9.605 -18.660 1.00 13.74 O ATOM 614 CB ASP A 39 3.419 -10.437 -21.398 1.00 15.96 C ATOM 615 CG ASP A 39 4.888 -10.143 -21.638 1.00 16.45 C ATOM 616 OD1 ASP A 39 5.652 -11.098 -21.891 1.00 16.42 O ATOM 617 OD2 ASP A 39 5.275 -8.957 -21.571 1.00 16.96 O ATOM 0 H ASP A 39 1.126 -10.811 -20.580 1.00 14.37 H new ATOM 0 HA ASP A 39 3.660 -11.699 -19.669 1.00 14.81 H new ATOM 0 HB2 ASP A 39 3.108 -11.262 -22.038 1.00 15.96 H new ATOM 0 HB3 ASP A 39 2.826 -9.569 -21.686 1.00 15.96 H new ATOM 622 N GLN A 40 2.678 -8.777 -18.646 1.00 12.90 N ATOM 623 CA GLN A 40 3.004 -7.648 -17.775 1.00 11.90 C ATOM 624 C GLN A 40 2.462 -7.858 -16.364 1.00 10.64 C ATOM 625 O GLN A 40 2.835 -7.141 -15.434 1.00 9.67 O ATOM 626 CB GLN A 40 2.432 -6.353 -18.356 1.00 11.91 C ATOM 627 CG GLN A 40 2.998 -5.990 -19.721 1.00 13.23 C ATOM 628 CD GLN A 40 2.386 -4.722 -20.289 1.00 13.45 C ATOM 629 OE1 GLN A 40 1.222 -4.410 -20.035 1.00 14.45 O ATOM 630 NE2 GLN A 40 3.170 -3.981 -21.063 1.00 12.63 N ATOM 0 H GLN A 40 1.700 -8.818 -18.932 1.00 12.90 H new ATOM 0 HA GLN A 40 4.090 -7.576 -17.717 1.00 11.90 H new ATOM 0 HB2 GLN A 40 1.349 -6.449 -18.436 1.00 11.91 H new ATOM 0 HB3 GLN A 40 2.630 -5.536 -17.662 1.00 11.91 H new ATOM 0 HG2 GLN A 40 4.078 -5.863 -19.640 1.00 13.23 H new ATOM 0 HG3 GLN A 40 2.825 -6.814 -20.413 1.00 13.23 H new ATOM 0 HE21 GLN A 40 4.129 -4.275 -21.248 1.00 12.63 H new ATOM 0 HE22 GLN A 40 2.813 -3.117 -21.472 1.00 12.63 H new ATOM 639 N GLN A 41 1.582 -8.843 -16.211 1.00 10.76 N ATOM 640 CA GLN A 41 0.980 -9.139 -14.915 1.00 9.79 C ATOM 641 C GLN A 41 1.965 -9.818 -13.971 1.00 9.92 C ATOM 642 O GLN A 41 2.663 -10.759 -14.349 1.00 10.91 O ATOM 643 CB GLN A 41 -0.261 -10.018 -15.093 1.00 9.99 C ATOM 644 CG GLN A 41 -1.489 -9.250 -15.557 1.00 9.70 C ATOM 645 CD GLN A 41 -2.700 -10.143 -15.749 1.00 9.80 C ATOM 646 OE1 GLN A 41 -3.454 -10.394 -14.809 1.00 9.65 O ATOM 647 NE2 GLN A 41 -2.897 -10.622 -16.972 1.00 10.21 N ATOM 0 H GLN A 41 1.270 -9.450 -16.969 1.00 10.76 H new ATOM 0 HA GLN A 41 0.691 -8.188 -14.467 1.00 9.79 H new ATOM 0 HB2 GLN A 41 -0.039 -10.803 -15.816 1.00 9.99 H new ATOM 0 HB3 GLN A 41 -0.486 -10.510 -14.147 1.00 9.99 H new ATOM 0 HG2 GLN A 41 -1.726 -8.476 -14.827 1.00 9.70 H new ATOM 0 HG3 GLN A 41 -1.263 -8.744 -16.496 1.00 9.70 H new ATOM 0 HE21 GLN A 41 -2.247 -10.388 -17.722 1.00 10.21 H new ATOM 0 HE22 GLN A 41 -3.699 -11.223 -17.161 1.00 10.21 H new ATOM 656 N ARG A 42 2.014 -9.315 -12.741 1.00 9.04 N ATOM 657 CA ARG A 42 2.878 -9.865 -11.703 1.00 9.21 C ATOM 658 C ARG A 42 2.046 -10.151 -10.460 1.00 8.55 C ATOM 659 O ARG A 42 1.528 -9.232 -9.829 1.00 7.55 O ATOM 660 CB ARG A 42 4.009 -8.894 -11.363 1.00 8.92 C ATOM 661 CG ARG A 42 5.002 -8.683 -12.493 1.00 9.32 C ATOM 662 CD ARG A 42 6.188 -7.849 -12.034 1.00 8.97 C ATOM 663 NE ARG A 42 6.902 -8.487 -10.928 1.00 9.07 N ATOM 664 CZ ARG A 42 7.476 -7.822 -9.928 1.00 8.61 C ATOM 665 NH1 ARG A 42 7.429 -6.497 -9.887 1.00 8.06 N ATOM 666 NH2 ARG A 42 8.096 -8.487 -8.963 1.00 8.89 N ATOM 0 H ARG A 42 1.457 -8.516 -12.437 1.00 9.04 H new ATOM 0 HA ARG A 42 3.325 -10.789 -12.069 1.00 9.21 H new ATOM 0 HB2 ARG A 42 3.578 -7.932 -11.088 1.00 8.92 H new ATOM 0 HB3 ARG A 42 4.543 -9.266 -10.488 1.00 8.92 H new ATOM 0 HG2 ARG A 42 5.352 -9.649 -12.858 1.00 9.32 H new ATOM 0 HG3 ARG A 42 4.507 -8.187 -13.328 1.00 9.32 H new ATOM 0 HD2 ARG A 42 6.872 -7.698 -12.869 1.00 8.97 H new ATOM 0 HD3 ARG A 42 5.841 -6.863 -11.723 1.00 8.97 H new ATOM 0 HE ARG A 42 6.964 -9.505 -10.923 1.00 9.07 H new ATOM 0 HH11 ARG A 42 6.951 -5.981 -10.625 1.00 8.06 H new ATOM 0 HH12 ARG A 42 7.871 -5.995 -9.117 1.00 8.06 H new ATOM 0 HH21 ARG A 42 8.132 -9.506 -8.988 1.00 8.89 H new ATOM 0 HH22 ARG A 42 8.537 -7.980 -8.196 1.00 8.89 H new ATOM 680 N LEU A 43 1.926 -11.424 -10.109 1.00 9.27 N ATOM 681 CA LEU A 43 1.133 -11.821 -8.952 1.00 9.04 C ATOM 682 C LEU A 43 2.027 -12.118 -7.757 1.00 9.51 C ATOM 683 O LEU A 43 2.914 -12.966 -7.829 1.00 10.56 O ATOM 684 CB LEU A 43 0.273 -13.045 -9.286 1.00 9.79 C ATOM 685 CG LEU A 43 -0.995 -12.754 -10.098 1.00 9.27 C ATOM 686 CD1 LEU A 43 -0.649 -12.093 -11.425 1.00 10.24 C ATOM 687 CD2 LEU A 43 -1.786 -14.034 -10.331 1.00 8.15 C ATOM 0 H LEU A 43 2.366 -12.198 -10.607 1.00 9.27 H new ATOM 0 HA LEU A 43 0.477 -10.991 -8.692 1.00 9.04 H new ATOM 0 HB2 LEU A 43 0.884 -13.757 -9.840 1.00 9.79 H new ATOM 0 HB3 LEU A 43 -0.016 -13.531 -8.354 1.00 9.79 H new ATOM 0 HG LEU A 43 -1.614 -12.064 -9.525 1.00 9.27 H new ATOM 0 HD11 LEU A 43 -1.564 -11.896 -11.983 1.00 10.24 H new ATOM 0 HD12 LEU A 43 -0.129 -11.154 -11.239 1.00 10.24 H new ATOM 0 HD13 LEU A 43 -0.006 -12.755 -12.005 1.00 10.24 H new ATOM 0 HD21 LEU A 43 -2.682 -13.808 -10.909 1.00 8.15 H new ATOM 0 HD22 LEU A 43 -1.171 -14.747 -10.880 1.00 8.15 H new ATOM 0 HD23 LEU A 43 -2.072 -14.465 -9.371 1.00 8.15 H new ATOM 699 N ILE A 44 1.791 -11.402 -6.664 1.00 8.83 N ATOM 700 CA ILE A 44 2.563 -11.583 -5.442 1.00 9.35 C ATOM 701 C ILE A 44 1.683 -12.151 -4.336 1.00 9.75 C ATOM 702 O ILE A 44 0.570 -11.676 -4.110 1.00 9.11 O ATOM 703 CB ILE A 44 3.183 -10.255 -4.958 1.00 8.53 C ATOM 704 CG1 ILE A 44 3.823 -9.495 -6.128 1.00 8.20 C ATOM 705 CG2 ILE A 44 4.207 -10.515 -3.859 1.00 9.24 C ATOM 706 CD1 ILE A 44 4.977 -10.226 -6.783 1.00 9.33 C ATOM 0 H ILE A 44 1.067 -10.687 -6.600 1.00 8.83 H new ATOM 0 HA ILE A 44 3.368 -12.281 -5.671 1.00 9.35 H new ATOM 0 HB ILE A 44 2.387 -9.634 -4.547 1.00 8.53 H new ATOM 0 HG12 ILE A 44 3.059 -9.297 -6.880 1.00 8.20 H new ATOM 0 HG13 ILE A 44 4.176 -8.528 -5.769 1.00 8.20 H new ATOM 0 HG21 ILE A 44 4.635 -9.568 -3.529 1.00 9.24 H new ATOM 0 HG22 ILE A 44 3.720 -11.006 -3.017 1.00 9.24 H new ATOM 0 HG23 ILE A 44 5.000 -11.156 -4.244 1.00 9.24 H new ATOM 0 HD11 ILE A 44 5.373 -9.623 -7.600 1.00 9.33 H new ATOM 0 HD12 ILE A 44 5.762 -10.401 -6.047 1.00 9.33 H new ATOM 0 HD13 ILE A 44 4.627 -11.181 -7.174 1.00 9.33 H new ATOM 718 N PHE A 45 2.191 -13.170 -3.654 1.00 10.94 N ATOM 719 CA PHE A 45 1.459 -13.808 -2.569 1.00 11.61 C ATOM 720 C PHE A 45 2.423 -14.390 -1.542 1.00 12.55 C ATOM 721 O PHE A 45 3.297 -15.189 -1.880 1.00 13.34 O ATOM 722 CB PHE A 45 0.542 -14.909 -3.105 1.00 12.32 C ATOM 723 CG PHE A 45 -0.359 -15.496 -2.054 1.00 13.14 C ATOM 724 CD1 PHE A 45 -1.587 -14.918 -1.775 1.00 12.72 C ATOM 725 CD2 PHE A 45 0.026 -16.620 -1.340 1.00 14.44 C ATOM 726 CE1 PHE A 45 -2.414 -15.449 -0.804 1.00 13.62 C ATOM 727 CE2 PHE A 45 -0.798 -17.157 -0.369 1.00 15.27 C ATOM 728 CZ PHE A 45 -2.019 -16.570 -0.100 1.00 14.88 C ATOM 0 H PHE A 45 3.110 -13.573 -3.835 1.00 10.94 H new ATOM 0 HA PHE A 45 0.845 -13.048 -2.086 1.00 11.61 H new ATOM 0 HB2 PHE A 45 -0.068 -14.503 -3.912 1.00 12.32 H new ATOM 0 HB3 PHE A 45 1.152 -15.703 -3.535 1.00 12.32 H new ATOM 0 HD1 PHE A 45 -1.901 -14.042 -2.323 1.00 12.72 H new ATOM 0 HD2 PHE A 45 0.981 -17.081 -1.545 1.00 14.44 H new ATOM 0 HE1 PHE A 45 -3.368 -14.988 -0.596 1.00 13.62 H new ATOM 0 HE2 PHE A 45 -0.488 -18.035 0.179 1.00 15.27 H new ATOM 0 HZ PHE A 45 -2.664 -16.987 0.660 1.00 14.88 H new ATOM 738 N ALA A 46 2.257 -13.975 -0.290 1.00 12.55 N ATOM 739 CA ALA A 46 3.098 -14.449 0.805 1.00 13.48 C ATOM 740 C ALA A 46 4.544 -13.998 0.649 1.00 13.42 C ATOM 741 O ALA A 46 5.451 -14.568 1.259 1.00 14.38 O ATOM 742 CB ALA A 46 3.022 -15.967 0.916 1.00 14.76 C ATOM 0 H ALA A 46 1.541 -13.306 -0.007 1.00 12.55 H new ATOM 0 HA ALA A 46 2.716 -14.006 1.725 1.00 13.48 H new ATOM 0 HB1 ALA A 46 3.655 -16.304 1.737 1.00 14.76 H new ATOM 0 HB2 ALA A 46 1.991 -16.267 1.105 1.00 14.76 H new ATOM 0 HB3 ALA A 46 3.366 -16.418 -0.015 1.00 14.76 H new ATOM 748 N GLY A 47 4.754 -12.970 -0.161 1.00 12.34 N ATOM 749 CA GLY A 47 6.092 -12.458 -0.369 1.00 12.25 C ATOM 750 C GLY A 47 6.801 -13.113 -1.538 1.00 12.73 C ATOM 751 O GLY A 47 7.932 -12.749 -1.863 1.00 12.99 O ATOM 0 H GLY A 47 4.022 -12.482 -0.677 1.00 12.34 H new ATOM 0 HA2 GLY A 47 6.041 -11.382 -0.538 1.00 12.25 H new ATOM 0 HA3 GLY A 47 6.679 -12.611 0.537 1.00 12.25 H new ATOM 755 N LYS A 48 6.139 -14.083 -2.167 1.00 12.95 N ATOM 756 CA LYS A 48 6.709 -14.792 -3.309 1.00 13.60 C ATOM 757 C LYS A 48 5.857 -14.580 -4.556 1.00 12.95 C ATOM 758 O LYS A 48 4.638 -14.446 -4.469 1.00 12.25 O ATOM 759 CB LYS A 48 6.820 -16.288 -2.999 1.00 14.88 C ATOM 760 CG LYS A 48 7.438 -17.111 -4.123 1.00 15.77 C ATOM 761 CD LYS A 48 8.841 -16.632 -4.478 1.00 16.95 C ATOM 762 CE LYS A 48 9.799 -16.773 -3.304 1.00 16.96 C ATOM 763 NZ LYS A 48 11.191 -16.403 -3.679 1.00 17.08 N ATOM 0 H LYS A 48 5.205 -14.396 -1.903 1.00 12.95 H new ATOM 0 HA LYS A 48 7.705 -14.392 -3.499 1.00 13.60 H new ATOM 0 HB2 LYS A 48 7.418 -16.418 -2.097 1.00 14.88 H new ATOM 0 HB3 LYS A 48 5.826 -16.678 -2.782 1.00 14.88 H new ATOM 0 HG2 LYS A 48 7.477 -18.159 -3.825 1.00 15.77 H new ATOM 0 HG3 LYS A 48 6.801 -17.054 -5.006 1.00 15.77 H new ATOM 0 HD2 LYS A 48 9.217 -17.205 -5.325 1.00 16.95 H new ATOM 0 HD3 LYS A 48 8.801 -15.589 -4.791 1.00 16.95 H new ATOM 0 HE2 LYS A 48 9.463 -16.140 -2.483 1.00 16.96 H new ATOM 0 HE3 LYS A 48 9.781 -17.801 -2.942 1.00 16.96 H new ATOM 0 HZ1 LYS A 48 11.814 -16.512 -2.853 1.00 17.08 H new ATOM 0 HZ2 LYS A 48 11.521 -17.024 -4.446 1.00 17.08 H new ATOM 0 HZ3 LYS A 48 11.213 -15.414 -4.001 1.00 17.08 H new ATOM 777 N GLN A 49 6.506 -14.564 -5.716 1.00 13.28 N ATOM 778 CA GLN A 49 5.807 -14.370 -6.982 1.00 12.91 C ATOM 779 C GLN A 49 5.202 -15.687 -7.460 1.00 13.82 C ATOM 780 O GLN A 49 5.880 -16.715 -7.491 1.00 14.97 O ATOM 781 CB GLN A 49 6.763 -13.808 -8.038 1.00 13.03 C ATOM 782 CG GLN A 49 8.009 -14.655 -8.249 1.00 12.43 C ATOM 783 CD GLN A 49 8.971 -14.037 -9.246 1.00 12.64 C ATOM 784 OE1 GLN A 49 9.906 -13.236 -8.748 1.00 12.65 O flip ATOM 785 NE2 GLN A 49 8.876 -14.280 -10.449 1.00 12.96 N flip ATOM 0 H GLN A 49 7.515 -14.683 -5.806 1.00 13.28 H new ATOM 0 HA GLN A 49 5.001 -13.653 -6.828 1.00 12.91 H new ATOM 0 HB2 GLN A 49 6.231 -13.718 -8.985 1.00 13.03 H new ATOM 0 HB3 GLN A 49 7.064 -12.802 -7.744 1.00 13.03 H new ATOM 0 HG2 GLN A 49 8.518 -14.791 -7.295 1.00 12.43 H new ATOM 0 HG3 GLN A 49 7.716 -15.645 -8.598 1.00 12.43 H new ATOM 0 HE21 GLN A 49 8.142 -14.902 -10.787 1.00 12.96 H new ATOM 0 HE22 GLN A 49 9.532 -13.860 -11.108 1.00 12.96 H new ATOM 794 N LEU A 50 3.922 -15.654 -7.827 1.00 13.33 N ATOM 795 CA LEU A 50 3.227 -16.848 -8.292 1.00 14.13 C ATOM 796 C LEU A 50 3.764 -17.307 -9.642 1.00 14.81 C ATOM 797 O LEU A 50 3.930 -16.505 -10.563 1.00 14.27 O ATOM 798 CB LEU A 50 1.721 -16.586 -8.386 1.00 13.38 C ATOM 799 CG LEU A 50 1.054 -16.151 -7.076 1.00 12.72 C ATOM 800 CD1 LEU A 50 -0.450 -16.013 -7.260 1.00 12.09 C ATOM 801 CD2 LEU A 50 1.364 -17.142 -5.963 1.00 13.76 C ATOM 0 H LEU A 50 3.347 -14.812 -7.810 1.00 13.33 H new ATOM 0 HA LEU A 50 3.405 -17.643 -7.567 1.00 14.13 H new ATOM 0 HB2 LEU A 50 1.548 -15.815 -9.137 1.00 13.38 H new ATOM 0 HB3 LEU A 50 1.232 -17.493 -8.741 1.00 13.38 H new ATOM 0 HG LEU A 50 1.457 -15.178 -6.795 1.00 12.72 H new ATOM 0 HD11 LEU A 50 -0.905 -15.704 -6.319 1.00 12.09 H new ATOM 0 HD12 LEU A 50 -0.656 -15.265 -8.026 1.00 12.09 H new ATOM 0 HD13 LEU A 50 -0.868 -16.971 -7.567 1.00 12.09 H new ATOM 0 HD21 LEU A 50 0.882 -16.816 -5.041 1.00 13.76 H new ATOM 0 HD22 LEU A 50 0.990 -18.128 -6.239 1.00 13.76 H new ATOM 0 HD23 LEU A 50 2.442 -17.192 -5.811 1.00 13.76 H new ATOM 813 N GLU A 51 4.026 -18.606 -9.750 1.00 16.07 N ATOM 814 CA GLU A 51 4.545 -19.190 -10.980 1.00 16.92 C ATOM 815 C GLU A 51 3.400 -19.588 -11.908 1.00 17.12 C ATOM 816 O GLU A 51 2.480 -20.295 -11.503 1.00 17.35 O ATOM 817 CB GLU A 51 5.408 -20.412 -10.660 1.00 18.22 C ATOM 818 CG GLU A 51 6.128 -20.991 -11.867 1.00 19.07 C ATOM 819 CD GLU A 51 6.763 -22.338 -11.574 1.00 20.22 C ATOM 820 OE1 GLU A 51 7.750 -22.376 -10.809 1.00 21.00 O ATOM 821 OE2 GLU A 51 6.273 -23.354 -12.110 1.00 20.40 O ATOM 0 H GLU A 51 3.886 -19.277 -8.995 1.00 16.07 H new ATOM 0 HA GLU A 51 5.159 -18.444 -11.484 1.00 16.92 H new ATOM 0 HB2 GLU A 51 6.146 -20.136 -9.907 1.00 18.22 H new ATOM 0 HB3 GLU A 51 4.777 -21.185 -10.220 1.00 18.22 H new ATOM 0 HG2 GLU A 51 5.422 -21.097 -12.691 1.00 19.07 H new ATOM 0 HG3 GLU A 51 6.898 -20.293 -12.196 1.00 19.07 H new ATOM 828 N ASP A 52 3.461 -19.107 -13.145 1.00 17.11 N ATOM 829 CA ASP A 52 2.439 -19.403 -14.151 1.00 17.32 C ATOM 830 C ASP A 52 2.148 -20.903 -14.262 1.00 18.50 C ATOM 831 O ASP A 52 1.006 -21.302 -14.495 1.00 18.49 O ATOM 832 CB ASP A 52 2.876 -18.867 -15.517 1.00 17.56 C ATOM 833 CG ASP A 52 2.890 -17.351 -15.570 1.00 16.47 C ATOM 834 OD1 ASP A 52 3.769 -16.742 -14.924 1.00 15.96 O ATOM 835 OD2 ASP A 52 2.022 -16.773 -16.256 1.00 16.20 O ATOM 0 H ASP A 52 4.213 -18.505 -13.480 1.00 17.11 H new ATOM 0 HA ASP A 52 1.522 -18.909 -13.830 1.00 17.32 H new ATOM 0 HB2 ASP A 52 3.872 -19.244 -15.750 1.00 17.56 H new ATOM 0 HB3 ASP A 52 2.203 -19.248 -16.285 1.00 17.56 H new ATOM 840 N GLY A 53 3.179 -21.728 -14.087 1.00 19.52 N ATOM 841 CA GLY A 53 3.012 -23.172 -14.202 1.00 20.72 C ATOM 842 C GLY A 53 2.551 -23.852 -12.922 1.00 20.81 C ATOM 843 O GLY A 53 2.406 -25.074 -12.889 1.00 21.79 O ATOM 0 H GLY A 53 4.128 -21.424 -13.868 1.00 19.52 H new ATOM 0 HA2 GLY A 53 2.290 -23.381 -14.991 1.00 20.72 H new ATOM 0 HA3 GLY A 53 3.960 -23.612 -14.513 1.00 20.72 H new ATOM 847 N ARG A 54 2.317 -23.072 -11.870 1.00 19.86 N ATOM 848 CA ARG A 54 1.868 -23.624 -10.590 1.00 20.02 C ATOM 849 C ARG A 54 0.369 -23.417 -10.402 1.00 19.36 C ATOM 850 O ARG A 54 -0.292 -22.827 -11.253 1.00 18.53 O ATOM 851 CB ARG A 54 2.634 -22.986 -9.430 1.00 19.57 C ATOM 852 CG ARG A 54 4.073 -23.461 -9.317 1.00 20.34 C ATOM 853 CD ARG A 54 4.785 -22.804 -8.148 1.00 21.73 C ATOM 854 NE ARG A 54 6.210 -23.122 -8.128 1.00 22.50 N ATOM 855 CZ ARG A 54 7.044 -22.712 -7.177 1.00 23.45 C ATOM 856 NH1 ARG A 54 6.601 -21.958 -6.180 1.00 23.75 N ATOM 857 NH2 ARG A 54 8.324 -23.053 -7.225 1.00 24.16 N ATOM 0 H ARG A 54 2.430 -22.058 -11.876 1.00 19.86 H new ATOM 0 HA ARG A 54 2.070 -24.695 -10.599 1.00 20.02 H new ATOM 0 HB2 ARG A 54 2.626 -21.903 -9.552 1.00 19.57 H new ATOM 0 HB3 ARG A 54 2.114 -23.205 -8.498 1.00 19.57 H new ATOM 0 HG2 ARG A 54 4.091 -24.544 -9.194 1.00 20.34 H new ATOM 0 HG3 ARG A 54 4.605 -23.236 -10.241 1.00 20.34 H new ATOM 0 HD2 ARG A 54 4.655 -21.723 -8.205 1.00 21.73 H new ATOM 0 HD3 ARG A 54 4.327 -23.131 -7.214 1.00 21.73 H new ATOM 0 HE ARG A 54 6.587 -23.691 -8.886 1.00 22.50 H new ATOM 0 HH11 ARG A 54 5.617 -21.691 -6.141 1.00 23.75 H new ATOM 0 HH12 ARG A 54 7.244 -21.645 -5.452 1.00 23.75 H new ATOM 0 HH21 ARG A 54 8.670 -23.630 -7.992 1.00 24.16 H new ATOM 0 HH22 ARG A 54 8.963 -22.738 -6.495 1.00 24.16 H new ATOM 871 N THR A 55 -0.163 -23.924 -9.290 1.00 19.79 N ATOM 872 CA THR A 55 -1.585 -23.788 -8.984 1.00 19.31 C ATOM 873 C THR A 55 -1.790 -23.092 -7.643 1.00 18.56 C ATOM 874 O THR A 55 -0.884 -23.048 -6.813 1.00 18.57 O ATOM 875 CB THR A 55 -2.299 -25.156 -8.952 1.00 20.43 C ATOM 876 OG1 THR A 55 -1.817 -25.943 -7.856 1.00 21.36 O ATOM 877 CG2 THR A 55 -2.086 -25.912 -10.256 1.00 21.11 C ATOM 0 H THR A 55 0.371 -24.433 -8.586 1.00 19.79 H new ATOM 0 HA THR A 55 -2.019 -23.185 -9.781 1.00 19.31 H new ATOM 0 HB THR A 55 -3.366 -24.975 -8.824 1.00 20.43 H new ATOM 0 HG1 THR A 55 -0.932 -25.620 -7.585 1.00 21.36 H new ATOM 0 HG21 THR A 55 -2.599 -26.872 -10.208 1.00 21.11 H new ATOM 0 HG22 THR A 55 -2.486 -25.328 -11.085 1.00 21.11 H new ATOM 0 HG23 THR A 55 -1.020 -26.078 -10.411 1.00 21.11 H new ATOM 885 N LEU A 56 -2.977 -22.524 -7.454 1.00 17.96 N ATOM 886 CA LEU A 56 -3.316 -21.835 -6.211 1.00 17.35 C ATOM 887 C LEU A 56 -3.050 -22.713 -4.985 1.00 18.41 C ATOM 888 O LEU A 56 -2.838 -22.203 -3.887 1.00 18.24 O ATOM 889 CB LEU A 56 -4.784 -21.394 -6.231 1.00 16.66 C ATOM 890 CG LEU A 56 -5.124 -20.234 -7.178 1.00 15.55 C ATOM 891 CD1 LEU A 56 -4.290 -19.003 -6.852 1.00 14.99 C ATOM 892 CD2 LEU A 56 -4.928 -20.646 -8.631 1.00 14.57 C ATOM 0 H LEU A 56 -3.724 -22.527 -8.149 1.00 17.96 H new ATOM 0 HA LEU A 56 -2.675 -20.956 -6.138 1.00 17.35 H new ATOM 0 HB2 LEU A 56 -5.397 -22.253 -6.505 1.00 16.66 H new ATOM 0 HB3 LEU A 56 -5.071 -21.107 -5.219 1.00 16.66 H new ATOM 0 HG LEU A 56 -6.174 -19.980 -7.034 1.00 15.55 H new ATOM 0 HD11 LEU A 56 -4.550 -18.196 -7.537 1.00 14.99 H new ATOM 0 HD12 LEU A 56 -4.490 -18.689 -5.828 1.00 14.99 H new ATOM 0 HD13 LEU A 56 -3.232 -19.242 -6.958 1.00 14.99 H new ATOM 0 HD21 LEU A 56 -5.175 -19.808 -9.283 1.00 14.57 H new ATOM 0 HD22 LEU A 56 -3.889 -20.936 -8.790 1.00 14.57 H new ATOM 0 HD23 LEU A 56 -5.579 -21.489 -8.861 1.00 14.57 H new ATOM 904 N SER A 57 -3.056 -24.031 -5.180 1.00 19.54 N ATOM 905 CA SER A 57 -2.821 -24.973 -4.083 1.00 20.67 C ATOM 906 C SER A 57 -1.344 -25.020 -3.691 1.00 21.10 C ATOM 907 O SER A 57 -1.007 -25.349 -2.553 1.00 21.74 O ATOM 908 CB SER A 57 -3.295 -26.372 -4.482 1.00 21.76 C ATOM 909 OG SER A 57 -4.669 -26.365 -4.828 1.00 21.61 O ATOM 0 H SER A 57 -3.221 -24.472 -6.085 1.00 19.54 H new ATOM 0 HA SER A 57 -3.389 -24.627 -3.220 1.00 20.67 H new ATOM 0 HB2 SER A 57 -2.706 -26.732 -5.326 1.00 21.76 H new ATOM 0 HB3 SER A 57 -3.128 -27.065 -3.657 1.00 21.76 H new ATOM 0 HG SER A 57 -4.947 -27.270 -5.081 1.00 21.61 H new ATOM 915 N ASP A 58 -0.469 -24.685 -4.637 1.00 20.79 N ATOM 916 CA ASP A 58 0.971 -24.693 -4.389 1.00 21.19 C ATOM 917 C ASP A 58 1.353 -23.659 -3.334 1.00 20.53 C ATOM 918 O ASP A 58 2.177 -23.928 -2.459 1.00 21.09 O ATOM 919 CB ASP A 58 1.746 -24.421 -5.682 1.00 20.98 C ATOM 920 CG ASP A 58 1.762 -25.618 -6.614 1.00 22.06 C ATOM 921 OD1 ASP A 58 0.711 -25.916 -7.214 1.00 23.14 O ATOM 922 OD2 ASP A 58 2.827 -26.258 -6.740 1.00 21.87 O ATOM 0 H ASP A 58 -0.732 -24.405 -5.582 1.00 20.79 H new ATOM 0 HA ASP A 58 1.235 -25.683 -4.018 1.00 21.19 H new ATOM 0 HB2 ASP A 58 1.300 -23.570 -6.197 1.00 20.98 H new ATOM 0 HB3 ASP A 58 2.771 -24.143 -5.436 1.00 20.98 H new ATOM 927 N TYR A 59 0.748 -22.476 -3.421 1.00 19.37 N ATOM 928 CA TYR A 59 1.032 -21.396 -2.480 1.00 18.69 C ATOM 929 C TYR A 59 0.030 -21.376 -1.324 1.00 18.82 C ATOM 930 O TYR A 59 -0.002 -20.428 -0.538 1.00 18.30 O ATOM 931 CB TYR A 59 1.021 -20.052 -3.212 1.00 17.29 C ATOM 932 CG TYR A 59 2.102 -19.931 -4.265 1.00 17.19 C ATOM 933 CD1 TYR A 59 1.909 -20.431 -5.548 1.00 17.17 C ATOM 934 CD2 TYR A 59 3.316 -19.318 -3.976 1.00 17.22 C ATOM 935 CE1 TYR A 59 2.895 -20.324 -6.511 1.00 17.26 C ATOM 936 CE2 TYR A 59 4.305 -19.207 -4.934 1.00 17.25 C ATOM 937 CZ TYR A 59 4.090 -19.711 -6.199 1.00 17.30 C ATOM 938 OH TYR A 59 5.073 -19.602 -7.155 1.00 17.49 O ATOM 0 H TYR A 59 0.058 -22.242 -4.134 1.00 19.37 H new ATOM 0 HA TYR A 59 2.021 -21.571 -2.056 1.00 18.69 H new ATOM 0 HB2 TYR A 59 0.048 -19.911 -3.683 1.00 17.29 H new ATOM 0 HB3 TYR A 59 1.142 -19.250 -2.484 1.00 17.29 H new ATOM 0 HD1 TYR A 59 0.974 -20.911 -5.796 1.00 17.17 H new ATOM 0 HD2 TYR A 59 3.489 -18.922 -2.986 1.00 17.22 H new ATOM 0 HE1 TYR A 59 2.730 -20.719 -7.503 1.00 17.26 H new ATOM 0 HE2 TYR A 59 5.242 -18.728 -4.693 1.00 17.25 H new ATOM 0 HH TYR A 59 5.338 -18.663 -7.246 1.00 17.49 H new ATOM 948 N ASN A 60 -0.782 -22.429 -1.224 1.00 19.61 N ATOM 949 CA ASN A 60 -1.778 -22.541 -0.157 1.00 19.94 C ATOM 950 C ASN A 60 -2.722 -21.334 -0.151 1.00 18.78 C ATOM 951 O ASN A 60 -3.055 -20.793 0.904 1.00 18.73 O ATOM 952 CB ASN A 60 -1.079 -22.681 1.201 1.00 20.73 C ATOM 953 CG ASN A 60 -2.025 -23.118 2.304 1.00 21.53 C ATOM 954 OD1 ASN A 60 -2.592 -22.291 3.017 1.00 21.59 O ATOM 955 ND2 ASN A 60 -2.202 -24.426 2.446 1.00 22.24 N ATOM 0 H ASN A 60 -0.770 -23.218 -1.870 1.00 19.61 H new ATOM 0 HA ASN A 60 -2.378 -23.432 -0.342 1.00 19.94 H new ATOM 0 HB2 ASN A 60 -0.269 -23.405 1.115 1.00 20.73 H new ATOM 0 HB3 ASN A 60 -0.627 -21.727 1.472 1.00 20.73 H new ATOM 0 HD21 ASN A 60 -2.829 -24.780 3.169 1.00 22.24 H new ATOM 0 HD22 ASN A 60 -1.711 -25.077 1.832 1.00 22.24 H new ATOM 962 N ILE A 61 -3.153 -20.925 -1.341 1.00 17.93 N ATOM 963 CA ILE A 61 -4.058 -19.788 -1.488 1.00 16.80 C ATOM 964 C ILE A 61 -5.516 -20.218 -1.329 1.00 17.14 C ATOM 965 O ILE A 61 -6.094 -20.831 -2.228 1.00 17.46 O ATOM 966 CB ILE A 61 -3.871 -19.102 -2.860 1.00 15.70 C ATOM 967 CG1 ILE A 61 -2.416 -18.653 -3.032 1.00 15.44 C ATOM 968 CG2 ILE A 61 -4.819 -17.916 -2.999 1.00 14.52 C ATOM 969 CD1 ILE A 61 -2.083 -18.177 -4.430 1.00 14.60 C ATOM 0 H ILE A 61 -2.889 -21.366 -2.222 1.00 17.93 H new ATOM 0 HA ILE A 61 -3.812 -19.077 -0.699 1.00 16.80 H new ATOM 0 HB ILE A 61 -4.108 -19.821 -3.645 1.00 15.70 H new ATOM 0 HG12 ILE A 61 -2.208 -17.849 -2.326 1.00 15.44 H new ATOM 0 HG13 ILE A 61 -1.757 -19.482 -2.774 1.00 15.44 H new ATOM 0 HG21 ILE A 61 -4.673 -17.445 -3.971 1.00 14.52 H new ATOM 0 HG22 ILE A 61 -5.849 -18.262 -2.914 1.00 14.52 H new ATOM 0 HG23 ILE A 61 -4.614 -17.192 -2.211 1.00 14.52 H new ATOM 0 HD11 ILE A 61 -1.036 -17.876 -4.472 1.00 14.60 H new ATOM 0 HD12 ILE A 61 -2.257 -18.985 -5.141 1.00 14.60 H new ATOM 0 HD13 ILE A 61 -2.715 -17.327 -4.685 1.00 14.60 H new ATOM 981 N GLN A 62 -6.102 -19.893 -0.176 1.00 17.17 N ATOM 982 CA GLN A 62 -7.495 -20.240 0.108 1.00 17.56 C ATOM 983 C GLN A 62 -8.444 -19.118 -0.313 1.00 16.44 C ATOM 984 O GLN A 62 -8.012 -18.070 -0.793 1.00 15.35 O ATOM 985 CB GLN A 62 -7.671 -20.547 1.597 1.00 18.57 C ATOM 986 CG GLN A 62 -6.969 -21.821 2.041 1.00 19.77 C ATOM 987 CD GLN A 62 -7.227 -22.151 3.498 1.00 20.75 C ATOM 988 OE1 GLN A 62 -6.478 -21.736 4.383 1.00 21.49 O ATOM 989 NE2 GLN A 62 -8.292 -22.901 3.756 1.00 20.83 N ATOM 0 H GLN A 62 -5.633 -19.389 0.577 1.00 17.17 H new ATOM 0 HA GLN A 62 -7.744 -21.128 -0.472 1.00 17.56 H new ATOM 0 HB2 GLN A 62 -7.289 -19.709 2.180 1.00 18.57 H new ATOM 0 HB3 GLN A 62 -8.735 -20.631 1.819 1.00 18.57 H new ATOM 0 HG2 GLN A 62 -7.304 -22.651 1.419 1.00 19.77 H new ATOM 0 HG3 GLN A 62 -5.896 -21.715 1.881 1.00 19.77 H new ATOM 0 HE21 GLN A 62 -8.886 -23.223 2.992 1.00 20.83 H new ATOM 0 HE22 GLN A 62 -8.516 -23.155 4.718 1.00 20.83 H new ATOM 998 N LYS A 63 -9.744 -19.354 -0.133 1.00 16.74 N ATOM 999 CA LYS A 63 -10.770 -18.376 -0.493 1.00 15.83 C ATOM 1000 C LYS A 63 -10.599 -17.070 0.283 1.00 15.40 C ATOM 1001 O LYS A 63 -10.019 -17.052 1.369 1.00 16.08 O ATOM 1002 CB LYS A 63 -12.160 -18.966 -0.235 1.00 16.42 C ATOM 1003 CG LYS A 63 -13.298 -18.149 -0.828 1.00 17.58 C ATOM 1004 CD LYS A 63 -14.648 -18.795 -0.549 1.00 18.15 C ATOM 1005 CE LYS A 63 -15.797 -17.934 -1.050 1.00 19.19 C ATOM 1006 NZ LYS A 63 -15.846 -16.615 -0.361 1.00 18.86 N ATOM 0 H LYS A 63 -10.112 -20.219 0.262 1.00 16.74 H new ATOM 0 HA LYS A 63 -10.662 -18.147 -1.553 1.00 15.83 H new ATOM 0 HB2 LYS A 63 -12.198 -19.975 -0.646 1.00 16.42 H new ATOM 0 HB3 LYS A 63 -12.312 -19.055 0.841 1.00 16.42 H new ATOM 0 HG2 LYS A 63 -13.281 -17.142 -0.411 1.00 17.58 H new ATOM 0 HG3 LYS A 63 -13.155 -18.050 -1.904 1.00 17.58 H new ATOM 0 HD2 LYS A 63 -14.690 -19.773 -1.029 1.00 18.15 H new ATOM 0 HD3 LYS A 63 -14.758 -18.961 0.523 1.00 18.15 H new ATOM 0 HE2 LYS A 63 -15.692 -17.779 -2.124 1.00 19.19 H new ATOM 0 HE3 LYS A 63 -16.739 -18.460 -0.894 1.00 19.19 H new ATOM 0 HZ1 LYS A 63 -16.791 -16.197 -0.479 1.00 18.86 H new ATOM 0 HZ2 LYS A 63 -15.648 -16.745 0.652 1.00 18.86 H new ATOM 0 HZ3 LYS A 63 -15.133 -15.981 -0.774 1.00 18.86 H new ATOM 1020 N GLU A 64 -11.109 -15.979 -0.294 1.00 14.33 N ATOM 1021 CA GLU A 64 -11.029 -14.654 0.323 1.00 13.93 C ATOM 1022 C GLU A 64 -9.579 -14.224 0.531 1.00 13.56 C ATOM 1023 O GLU A 64 -9.262 -13.521 1.493 1.00 13.53 O ATOM 1024 CB GLU A 64 -11.784 -14.632 1.658 1.00 14.98 C ATOM 1025 CG GLU A 64 -13.268 -14.944 1.530 1.00 15.11 C ATOM 1026 CD GLU A 64 -13.978 -14.025 0.552 1.00 15.97 C ATOM 1027 OE1 GLU A 64 -13.924 -14.297 -0.666 1.00 15.76 O ATOM 1028 OE2 GLU A 64 -14.586 -13.032 1.004 1.00 16.92 O ATOM 0 H GLU A 64 -11.586 -15.989 -1.196 1.00 14.33 H new ATOM 0 HA GLU A 64 -11.498 -13.944 -0.358 1.00 13.93 H new ATOM 0 HB2 GLU A 64 -11.328 -15.354 2.335 1.00 14.98 H new ATOM 0 HB3 GLU A 64 -11.667 -13.649 2.115 1.00 14.98 H new ATOM 0 HG2 GLU A 64 -13.391 -15.977 1.206 1.00 15.11 H new ATOM 0 HG3 GLU A 64 -13.739 -14.859 2.509 1.00 15.11 H new ATOM 1035 N SER A 65 -8.705 -14.638 -0.382 1.00 13.38 N ATOM 1036 CA SER A 65 -7.289 -14.291 -0.303 1.00 13.05 C ATOM 1037 C SER A 65 -7.004 -13.013 -1.085 1.00 11.65 C ATOM 1038 O SER A 65 -7.757 -12.648 -1.983 1.00 10.94 O ATOM 1039 CB SER A 65 -6.431 -15.435 -0.845 1.00 13.61 C ATOM 1040 OG SER A 65 -6.806 -15.773 -2.169 1.00 14.92 O ATOM 0 H SER A 65 -8.953 -15.215 -1.186 1.00 13.38 H new ATOM 0 HA SER A 65 -7.037 -14.123 0.744 1.00 13.05 H new ATOM 0 HB2 SER A 65 -5.380 -15.146 -0.824 1.00 13.61 H new ATOM 0 HB3 SER A 65 -6.535 -16.308 -0.201 1.00 13.61 H new ATOM 0 HG SER A 65 -7.296 -16.622 -2.164 1.00 14.92 H new ATOM 1046 N THR A 66 -5.912 -12.341 -0.739 1.00 11.29 N ATOM 1047 CA THR A 66 -5.527 -11.103 -1.412 1.00 9.99 C ATOM 1048 C THR A 66 -4.225 -11.292 -2.187 1.00 9.57 C ATOM 1049 O THR A 66 -3.209 -11.703 -1.624 1.00 10.12 O ATOM 1050 CB THR A 66 -5.369 -9.937 -0.412 1.00 9.92 C ATOM 1051 OG1 THR A 66 -4.901 -8.766 -1.094 1.00 10.85 O ATOM 1052 CG2 THR A 66 -4.402 -10.296 0.709 1.00 8.71 C ATOM 0 H THR A 66 -5.276 -12.632 0.004 1.00 11.29 H new ATOM 0 HA THR A 66 -6.328 -10.853 -2.108 1.00 9.99 H new ATOM 0 HB THR A 66 -6.346 -9.739 0.029 1.00 9.92 H new ATOM 0 HG1 THR A 66 -4.805 -8.031 -0.453 1.00 10.85 H new ATOM 0 HG21 THR A 66 -4.313 -9.454 1.396 1.00 8.71 H new ATOM 0 HG22 THR A 66 -4.777 -11.166 1.248 1.00 8.71 H new ATOM 0 HG23 THR A 66 -3.424 -10.525 0.286 1.00 8.71 H new ATOM 1060 N LEU A 67 -4.268 -10.994 -3.483 1.00 8.72 N ATOM 1061 CA LEU A 67 -3.101 -11.130 -4.349 1.00 8.45 C ATOM 1062 C LEU A 67 -2.673 -9.766 -4.883 1.00 7.19 C ATOM 1063 O LEU A 67 -3.442 -9.092 -5.570 1.00 6.40 O ATOM 1064 CB LEU A 67 -3.408 -12.077 -5.516 1.00 8.71 C ATOM 1065 CG LEU A 67 -3.483 -13.567 -5.156 1.00 9.84 C ATOM 1066 CD1 LEU A 67 -4.632 -13.840 -4.194 1.00 10.06 C ATOM 1067 CD2 LEU A 67 -3.630 -14.410 -6.416 1.00 10.94 C ATOM 0 H LEU A 67 -5.104 -10.655 -3.959 1.00 8.72 H new ATOM 0 HA LEU A 67 -2.284 -11.550 -3.762 1.00 8.45 H new ATOM 0 HB2 LEU A 67 -4.358 -11.781 -5.961 1.00 8.71 H new ATOM 0 HB3 LEU A 67 -2.642 -11.944 -6.280 1.00 8.71 H new ATOM 0 HG LEU A 67 -2.554 -13.843 -4.657 1.00 9.84 H new ATOM 0 HD11 LEU A 67 -4.662 -14.903 -3.956 1.00 10.06 H new ATOM 0 HD12 LEU A 67 -4.484 -13.267 -3.279 1.00 10.06 H new ATOM 0 HD13 LEU A 67 -5.573 -13.546 -4.658 1.00 10.06 H new ATOM 0 HD21 LEU A 67 -3.682 -15.464 -6.144 1.00 10.94 H new ATOM 0 HD22 LEU A 67 -4.542 -14.125 -6.940 1.00 10.94 H new ATOM 0 HD23 LEU A 67 -2.771 -14.245 -7.067 1.00 10.94 H new ATOM 1079 N HIS A 68 -1.443 -9.364 -4.563 1.00 7.09 N ATOM 1080 CA HIS A 68 -0.925 -8.074 -5.009 1.00 5.99 C ATOM 1081 C HIS A 68 -0.490 -8.131 -6.469 1.00 5.70 C ATOM 1082 O HIS A 68 0.382 -8.918 -6.838 1.00 6.53 O ATOM 1083 CB HIS A 68 0.244 -7.623 -4.131 1.00 6.18 C ATOM 1084 CG HIS A 68 0.552 -6.162 -4.260 1.00 6.68 C ATOM 1085 ND1 HIS A 68 1.146 -5.614 -5.378 1.00 6.45 N ATOM 1086 CD2 HIS A 68 0.331 -5.130 -3.410 1.00 7.71 C ATOM 1087 CE1 HIS A 68 1.278 -4.310 -5.209 1.00 7.36 C ATOM 1088 NE2 HIS A 68 0.791 -3.991 -4.025 1.00 8.09 N ATOM 0 H HIS A 68 -0.791 -9.910 -4.000 1.00 7.09 H new ATOM 0 HA HIS A 68 -1.732 -7.347 -4.918 1.00 5.99 H new ATOM 0 HB2 HIS A 68 0.015 -7.849 -3.089 1.00 6.18 H new ATOM 0 HB3 HIS A 68 1.131 -8.199 -4.395 1.00 6.18 H new ATOM 0 HD2 HIS A 68 -0.122 -5.192 -2.432 1.00 7.71 H new ATOM 0 HE1 HIS A 68 1.711 -3.622 -5.920 1.00 7.36 H new ATOM 0 HE2 HIS A 68 0.761 -3.051 -3.630 1.00 8.09 H new ATOM 1097 N LEU A 69 -1.102 -7.285 -7.291 1.00 4.81 N ATOM 1098 CA LEU A 69 -0.791 -7.235 -8.715 1.00 4.96 C ATOM 1099 C LEU A 69 0.141 -6.069 -9.038 1.00 4.58 C ATOM 1100 O LEU A 69 -0.261 -4.905 -8.973 1.00 3.90 O ATOM 1101 CB LEU A 69 -2.082 -7.111 -9.530 1.00 4.80 C ATOM 1102 CG LEU A 69 -1.899 -7.104 -11.051 1.00 5.50 C ATOM 1103 CD1 LEU A 69 -1.379 -8.448 -11.540 1.00 6.70 C ATOM 1104 CD2 LEU A 69 -3.210 -6.754 -11.742 1.00 5.42 C ATOM 0 H LEU A 69 -1.819 -6.623 -6.994 1.00 4.81 H new ATOM 0 HA LEU A 69 -0.281 -8.161 -8.981 1.00 4.96 H new ATOM 0 HB2 LEU A 69 -2.741 -7.938 -9.264 1.00 4.80 H new ATOM 0 HB3 LEU A 69 -2.590 -6.192 -9.238 1.00 4.80 H new ATOM 0 HG LEU A 69 -1.160 -6.343 -11.303 1.00 5.50 H new ATOM 0 HD11 LEU A 69 -1.257 -8.419 -12.623 1.00 6.70 H new ATOM 0 HD12 LEU A 69 -0.417 -8.658 -11.072 1.00 6.70 H new ATOM 0 HD13 LEU A 69 -2.090 -9.231 -11.276 1.00 6.70 H new ATOM 0 HD21 LEU A 69 -3.063 -6.753 -12.822 1.00 5.42 H new ATOM 0 HD22 LEU A 69 -3.968 -7.492 -11.479 1.00 5.42 H new ATOM 0 HD23 LEU A 69 -3.539 -5.766 -11.420 1.00 5.42 H new ATOM 1116 N VAL A 70 1.387 -6.389 -9.381 1.00 5.29 N ATOM 1117 CA VAL A 70 2.371 -5.372 -9.732 1.00 5.30 C ATOM 1118 C VAL A 70 2.364 -5.139 -11.239 1.00 6.23 C ATOM 1119 O VAL A 70 2.550 -6.073 -12.020 1.00 7.13 O ATOM 1120 CB VAL A 70 3.794 -5.759 -9.276 1.00 5.71 C ATOM 1121 CG1 VAL A 70 4.752 -4.588 -9.457 1.00 5.73 C ATOM 1122 CG2 VAL A 70 3.783 -6.234 -7.829 1.00 5.32 C ATOM 0 H VAL A 70 1.738 -7.346 -9.423 1.00 5.29 H new ATOM 0 HA VAL A 70 2.092 -4.456 -9.211 1.00 5.30 H new ATOM 0 HB VAL A 70 4.143 -6.582 -9.899 1.00 5.71 H new ATOM 0 HG11 VAL A 70 5.750 -4.880 -9.130 1.00 5.73 H new ATOM 0 HG12 VAL A 70 4.784 -4.303 -10.509 1.00 5.73 H new ATOM 0 HG13 VAL A 70 4.409 -3.742 -8.862 1.00 5.73 H new ATOM 0 HG21 VAL A 70 4.795 -6.502 -7.526 1.00 5.32 H new ATOM 0 HG22 VAL A 70 3.412 -5.435 -7.187 1.00 5.32 H new ATOM 0 HG23 VAL A 70 3.134 -7.105 -7.737 1.00 5.32 H new ATOM 1132 N LEU A 71 2.149 -3.889 -11.641 1.00 6.27 N ATOM 1133 CA LEU A 71 2.099 -3.538 -13.057 1.00 7.40 C ATOM 1134 C LEU A 71 3.115 -2.454 -13.388 1.00 8.31 C ATOM 1135 O LEU A 71 3.195 -1.434 -12.703 1.00 8.22 O ATOM 1136 CB LEU A 71 0.691 -3.068 -13.434 1.00 7.48 C ATOM 1137 CG LEU A 71 -0.424 -4.090 -13.183 1.00 7.46 C ATOM 1138 CD1 LEU A 71 -1.787 -3.473 -13.467 1.00 6.63 C ATOM 1139 CD2 LEU A 71 -0.213 -5.335 -14.036 1.00 8.16 C ATOM 0 H LEU A 71 2.007 -3.103 -11.007 1.00 6.27 H new ATOM 0 HA LEU A 71 2.348 -4.428 -13.636 1.00 7.40 H new ATOM 0 HB2 LEU A 71 0.465 -2.161 -12.873 1.00 7.48 H new ATOM 0 HB3 LEU A 71 0.685 -2.799 -14.490 1.00 7.48 H new ATOM 0 HG LEU A 71 -0.390 -4.384 -12.134 1.00 7.46 H new ATOM 0 HD11 LEU A 71 -2.566 -4.213 -13.284 1.00 6.63 H new ATOM 0 HD12 LEU A 71 -1.941 -2.614 -12.814 1.00 6.63 H new ATOM 0 HD13 LEU A 71 -1.831 -3.150 -14.507 1.00 6.63 H new ATOM 0 HD21 LEU A 71 -1.015 -6.048 -13.843 1.00 8.16 H new ATOM 0 HD22 LEU A 71 -0.219 -5.059 -15.090 1.00 8.16 H new ATOM 0 HD23 LEU A 71 0.745 -5.790 -13.785 1.00 8.16 H new ATOM 1151 N ARG A 72 3.884 -2.684 -14.451 1.00 9.27 N ATOM 1152 CA ARG A 72 4.903 -1.735 -14.888 1.00 10.25 C ATOM 1153 C ARG A 72 5.851 -1.396 -13.738 1.00 11.32 C ATOM 1154 O ARG A 72 5.640 -0.425 -13.010 1.00 12.10 O ATOM 1155 CB ARG A 72 4.240 -0.463 -15.429 1.00 10.86 C ATOM 1156 CG ARG A 72 5.206 0.491 -16.114 1.00 11.89 C ATOM 1157 CD ARG A 72 4.500 1.749 -16.596 1.00 12.56 C ATOM 1158 NE ARG A 72 5.414 2.663 -17.278 1.00 13.15 N ATOM 1159 CZ ARG A 72 5.133 3.939 -17.532 1.00 13.62 C ATOM 1160 NH1 ARG A 72 3.970 4.455 -17.155 1.00 13.61 N ATOM 1161 NH2 ARG A 72 6.016 4.700 -18.162 1.00 14.22 N ATOM 0 H ARG A 72 3.819 -3.523 -15.027 1.00 9.27 H new ATOM 0 HA ARG A 72 5.486 -2.193 -15.687 1.00 10.25 H new ATOM 0 HB2 ARG A 72 3.460 -0.744 -16.136 1.00 10.86 H new ATOM 0 HB3 ARG A 72 3.752 0.059 -14.606 1.00 10.86 H new ATOM 0 HG2 ARG A 72 6.003 0.762 -15.422 1.00 11.89 H new ATOM 0 HG3 ARG A 72 5.676 -0.011 -16.960 1.00 11.89 H new ATOM 0 HD2 ARG A 72 3.691 1.474 -17.272 1.00 12.56 H new ATOM 0 HD3 ARG A 72 4.046 2.258 -15.746 1.00 12.56 H new ATOM 0 HE ARG A 72 6.320 2.302 -17.577 1.00 13.15 H new ATOM 0 HH11 ARG A 72 3.288 3.873 -16.669 1.00 13.61 H new ATOM 0 HH12 ARG A 72 3.758 5.433 -17.351 1.00 13.61 H new ATOM 0 HH21 ARG A 72 6.912 4.308 -18.453 1.00 14.22 H new ATOM 0 HH22 ARG A 72 5.800 5.678 -18.356 1.00 14.22 H new ATOM 1175 N LEU A 73 6.897 -2.206 -13.581 1.00 11.45 N ATOM 1176 CA LEU A 73 7.871 -2.002 -12.513 1.00 12.57 C ATOM 1177 C LEU A 73 8.966 -1.037 -12.958 1.00 13.68 C ATOM 1178 O LEU A 73 10.007 -1.454 -13.468 1.00 13.63 O ATOM 1179 CB LEU A 73 8.487 -3.342 -12.091 1.00 12.50 C ATOM 1180 CG LEU A 73 9.478 -3.271 -10.922 1.00 12.30 C ATOM 1181 CD1 LEU A 73 8.762 -2.893 -9.633 1.00 11.49 C ATOM 1182 CD2 LEU A 73 10.210 -4.597 -10.760 1.00 12.81 C ATOM 0 H LEU A 73 7.090 -3.009 -14.180 1.00 11.45 H new ATOM 0 HA LEU A 73 7.354 -1.567 -11.658 1.00 12.57 H new ATOM 0 HB2 LEU A 73 7.681 -4.024 -11.821 1.00 12.50 H new ATOM 0 HB3 LEU A 73 8.997 -3.775 -12.952 1.00 12.50 H new ATOM 0 HG LEU A 73 10.214 -2.498 -11.143 1.00 12.30 H new ATOM 0 HD11 LEU A 73 9.482 -2.848 -8.816 1.00 11.49 H new ATOM 0 HD12 LEU A 73 8.288 -1.919 -9.752 1.00 11.49 H new ATOM 0 HD13 LEU A 73 8.002 -3.641 -9.406 1.00 11.49 H new ATOM 0 HD21 LEU A 73 10.909 -4.527 -9.926 1.00 12.81 H new ATOM 0 HD22 LEU A 73 9.488 -5.390 -10.563 1.00 12.81 H new ATOM 0 HD23 LEU A 73 10.758 -4.824 -11.674 1.00 12.81 H new ATOM 1194 N ARG A 74 8.717 0.255 -12.770 1.00 14.71 N ATOM 1195 CA ARG A 74 9.682 1.283 -13.151 1.00 15.86 C ATOM 1196 C ARG A 74 10.756 1.443 -12.080 1.00 16.72 C ATOM 1197 O ARG A 74 11.857 1.918 -12.360 1.00 17.60 O ATOM 1198 CB ARG A 74 8.975 2.619 -13.396 1.00 16.64 C ATOM 1199 CG ARG A 74 7.904 2.561 -14.477 1.00 16.74 C ATOM 1200 CD ARG A 74 8.392 1.823 -15.717 1.00 17.43 C ATOM 1201 NE ARG A 74 8.321 0.372 -15.552 1.00 18.56 N ATOM 1202 CZ ARG A 74 8.996 -0.495 -16.300 1.00 18.96 C ATOM 1203 NH1 ARG A 74 9.804 -0.064 -17.259 1.00 18.35 N ATOM 1204 NH2 ARG A 74 8.865 -1.797 -16.086 1.00 20.03 N ATOM 0 H ARG A 74 7.857 0.616 -12.357 1.00 14.71 H new ATOM 0 HA ARG A 74 10.164 0.968 -14.076 1.00 15.86 H new ATOM 0 HB2 ARG A 74 8.519 2.954 -12.464 1.00 16.64 H new ATOM 0 HB3 ARG A 74 9.718 3.366 -13.674 1.00 16.64 H new ATOM 0 HG2 ARG A 74 7.017 2.064 -14.084 1.00 16.74 H new ATOM 0 HG3 ARG A 74 7.608 3.574 -14.750 1.00 16.74 H new ATOM 0 HD2 ARG A 74 7.791 2.120 -16.576 1.00 17.43 H new ATOM 0 HD3 ARG A 74 9.420 2.114 -15.931 1.00 17.43 H new ATOM 0 HE ARG A 74 7.717 0.002 -14.818 1.00 18.56 H new ATOM 0 HH11 ARG A 74 9.910 0.937 -17.425 1.00 18.35 H new ATOM 0 HH12 ARG A 74 10.320 -0.733 -17.830 1.00 18.35 H new ATOM 0 HH21 ARG A 74 8.246 -2.133 -15.348 1.00 20.03 H new ATOM 0 HH22 ARG A 74 9.383 -2.463 -16.660 1.00 20.03 H new ATOM 1218 N GLY A 75 10.427 1.042 -10.855 1.00 16.49 N ATOM 1219 CA GLY A 75 11.374 1.140 -9.759 1.00 17.34 C ATOM 1220 C GLY A 75 12.323 -0.042 -9.717 1.00 16.75 C ATOM 1221 O GLY A 75 13.176 -0.192 -10.593 1.00 16.31 O ATOM 0 H GLY A 75 9.520 0.650 -10.602 1.00 16.49 H new ATOM 0 HA2 GLY A 75 11.948 2.062 -9.858 1.00 17.34 H new ATOM 0 HA3 GLY A 75 10.831 1.202 -8.816 1.00 17.34 H new ATOM 1225 N GLY A 76 12.174 -0.882 -8.697 1.00 16.82 N ATOM 1226 CA GLY A 76 13.025 -2.050 -8.563 1.00 16.39 C ATOM 1227 C GLY A 76 12.605 -2.942 -7.412 1.00 16.87 C ATOM 1228 O GLY A 76 11.760 -3.835 -7.630 1.00 16.60 O ATOM 1229 OXT GLY A 76 13.119 -2.745 -6.293 1.00 17.60 O ATOM 0 H GLY A 76 11.478 -0.774 -7.960 1.00 16.82 H new ATOM 0 HA2 GLY A 76 13.000 -2.622 -9.490 1.00 16.39 H new ATOM 0 HA3 GLY A 76 14.056 -1.730 -8.413 1.00 16.39 H new TER 1233 GLY A 76 ATOM 1234 N ALA B 5 18.767 16.916 5.149 1.00 8.45 N ATOM 1235 CA ALA B 5 19.564 16.588 6.358 1.00 8.55 C ATOM 1236 C ALA B 5 19.401 15.120 6.735 1.00 8.21 C ATOM 1237 O ALA B 5 20.384 14.389 6.869 1.00 8.17 O ATOM 1238 CB ALA B 5 19.153 17.481 7.520 1.00 9.15 C ATOM 0 HA ALA B 5 20.615 16.767 6.132 1.00 8.55 H new ATOM 0 HB1 ALA B 5 19.746 17.229 8.400 1.00 9.15 H new ATOM 0 HB2 ALA B 5 19.323 18.525 7.255 1.00 9.15 H new ATOM 0 HB3 ALA B 5 18.096 17.330 7.739 1.00 9.15 H new ATOM 1244 N LYS B 6 18.149 14.697 6.903 1.00 8.14 N ATOM 1245 CA LYS B 6 17.827 13.320 7.260 1.00 7.96 C ATOM 1246 C LYS B 6 16.339 13.068 7.031 1.00 7.52 C ATOM 1247 O LYS B 6 15.485 13.688 7.666 1.00 7.55 O ATOM 1248 CB LYS B 6 18.190 13.050 8.724 1.00 8.42 C ATOM 1249 CG LYS B 6 18.060 11.588 9.127 1.00 9.06 C ATOM 1250 CD LYS B 6 18.467 11.367 10.578 1.00 9.58 C ATOM 1251 CE LYS B 6 17.479 11.999 11.546 1.00 10.19 C ATOM 1252 NZ LYS B 6 17.883 11.792 12.964 1.00 10.58 N ATOM 0 H LYS B 6 17.333 15.299 6.795 1.00 8.14 H new ATOM 0 HA LYS B 6 18.407 12.644 6.631 1.00 7.96 H new ATOM 0 HB2 LYS B 6 19.215 13.377 8.901 1.00 8.42 H new ATOM 0 HB3 LYS B 6 17.548 13.653 9.366 1.00 8.42 H new ATOM 0 HG2 LYS B 6 17.030 11.261 8.984 1.00 9.06 H new ATOM 0 HG3 LYS B 6 18.683 10.974 8.476 1.00 9.06 H new ATOM 0 HD2 LYS B 6 18.537 10.298 10.777 1.00 9.58 H new ATOM 0 HD3 LYS B 6 19.459 11.787 10.745 1.00 9.58 H new ATOM 0 HE2 LYS B 6 17.403 13.067 11.342 1.00 10.19 H new ATOM 0 HE3 LYS B 6 16.489 11.573 11.384 1.00 10.19 H new ATOM 0 HZ1 LYS B 6 17.184 12.237 13.593 1.00 10.58 H new ATOM 0 HZ2 LYS B 6 17.931 10.773 13.166 1.00 10.58 H new ATOM 0 HZ3 LYS B 6 18.817 12.221 13.125 1.00 10.58 H new ATOM 1266 N GLU B 7 16.044 12.150 6.111 1.00 7.18 N ATOM 1267 CA GLU B 7 14.669 11.779 5.794 1.00 6.79 C ATOM 1268 C GLU B 7 14.544 10.260 5.744 1.00 6.27 C ATOM 1269 O GLU B 7 14.950 9.627 4.768 1.00 6.06 O ATOM 1270 CB GLU B 7 14.242 12.388 4.456 1.00 6.70 C ATOM 1271 CG GLU B 7 14.178 13.908 4.468 1.00 7.25 C ATOM 1272 CD GLU B 7 13.760 14.485 3.128 1.00 7.37 C ATOM 1273 OE1 GLU B 7 12.541 14.624 2.894 1.00 7.53 O ATOM 1274 OE2 GLU B 7 14.653 14.798 2.313 1.00 7.56 O ATOM 0 H GLU B 7 16.747 11.647 5.569 1.00 7.18 H new ATOM 0 HA GLU B 7 14.012 12.167 6.573 1.00 6.79 H new ATOM 0 HB2 GLU B 7 14.940 12.069 3.682 1.00 6.70 H new ATOM 0 HB3 GLU B 7 13.263 11.994 4.184 1.00 6.70 H new ATOM 0 HG2 GLU B 7 13.474 14.232 5.235 1.00 7.25 H new ATOM 0 HG3 GLU B 7 15.155 14.307 4.743 1.00 7.25 H new ATOM 1281 N TYR B 8 13.984 9.684 6.805 1.00 6.11 N ATOM 1282 CA TYR B 8 13.800 8.239 6.894 1.00 5.67 C ATOM 1283 C TYR B 8 12.334 7.895 7.143 1.00 5.23 C ATOM 1284 O TYR B 8 11.511 8.776 7.392 1.00 5.37 O ATOM 1285 CB TYR B 8 14.670 7.649 8.010 1.00 5.93 C ATOM 1286 CG TYR B 8 16.153 7.927 7.851 1.00 6.40 C ATOM 1287 CD1 TYR B 8 16.745 7.980 6.594 1.00 6.75 C ATOM 1288 CD2 TYR B 8 16.960 8.132 8.964 1.00 6.73 C ATOM 1289 CE1 TYR B 8 18.097 8.230 6.451 1.00 7.21 C ATOM 1290 CE2 TYR B 8 18.313 8.383 8.827 1.00 7.19 C ATOM 1291 CZ TYR B 8 18.875 8.430 7.570 1.00 7.34 C ATOM 1292 OH TYR B 8 20.221 8.680 7.431 1.00 7.84 O ATOM 0 H TYR B 8 13.648 10.200 7.619 1.00 6.11 H new ATOM 0 HA TYR B 8 14.106 7.804 5.943 1.00 5.67 H new ATOM 0 HB2 TYR B 8 14.336 8.051 8.967 1.00 5.93 H new ATOM 0 HB3 TYR B 8 14.515 6.571 8.045 1.00 5.93 H new ATOM 0 HD1 TYR B 8 16.138 7.823 5.714 1.00 6.75 H new ATOM 0 HD2 TYR B 8 16.524 8.095 9.951 1.00 6.73 H new ATOM 0 HE1 TYR B 8 18.541 8.268 5.467 1.00 7.21 H new ATOM 0 HE2 TYR B 8 18.926 8.541 9.702 1.00 7.19 H new ATOM 0 HH TYR B 8 20.625 8.799 8.316 1.00 7.84 H new ATOM 1302 N CYS B 9 12.030 6.608 7.078 1.00 4.73 N ATOM 1303 CA CYS B 9 10.667 6.130 7.287 1.00 4.31 C ATOM 1304 C CYS B 9 10.661 4.812 8.053 1.00 3.91 C ATOM 1305 O CYS B 9 11.590 4.015 7.933 1.00 3.80 O ATOM 1306 CB CYS B 9 9.957 5.953 5.940 1.00 4.13 C ATOM 1307 SG CYS B 9 10.045 7.399 4.858 1.00 4.61 S ATOM 0 H CYS B 9 12.709 5.872 6.882 1.00 4.73 H new ATOM 0 HA CYS B 9 10.135 6.874 7.879 1.00 4.31 H new ATOM 0 HB2 CYS B 9 10.393 5.099 5.422 1.00 4.13 H new ATOM 0 HB3 CYS B 9 8.909 5.714 6.123 1.00 4.13 H new ATOM 0 HG CYS B 9 9.418 7.148 3.747 1.00 4.61 H new ATOM 1313 N ARG B 10 9.609 4.586 8.841 1.00 3.77 N ATOM 1314 CA ARG B 10 9.494 3.360 9.625 1.00 3.48 C ATOM 1315 C ARG B 10 8.576 2.364 8.925 1.00 3.02 C ATOM 1316 O ARG B 10 7.528 2.741 8.400 1.00 3.04 O ATOM 1317 CB ARG B 10 8.965 3.673 11.027 1.00 3.74 C ATOM 1318 CG ARG B 10 8.885 2.456 11.938 1.00 3.64 C ATOM 1319 CD ARG B 10 8.377 2.825 13.323 1.00 3.85 C ATOM 1320 NE ARG B 10 7.020 3.365 13.284 1.00 3.92 N ATOM 1321 CZ ARG B 10 6.374 3.818 14.355 1.00 4.05 C ATOM 1322 NH1 ARG B 10 6.961 3.803 15.544 1.00 4.22 N ATOM 1323 NH2 ARG B 10 5.140 4.287 14.237 1.00 4.43 N ATOM 0 H ARG B 10 8.829 5.234 8.952 1.00 3.77 H new ATOM 0 HA ARG B 10 10.484 2.914 9.717 1.00 3.48 H new ATOM 0 HB2 ARG B 10 9.609 4.420 11.490 1.00 3.74 H new ATOM 0 HB3 ARG B 10 7.973 4.117 10.941 1.00 3.74 H new ATOM 0 HG2 ARG B 10 8.224 1.711 11.494 1.00 3.64 H new ATOM 0 HG3 ARG B 10 9.871 1.998 12.022 1.00 3.64 H new ATOM 0 HD2 ARG B 10 8.398 1.943 13.963 1.00 3.85 H new ATOM 0 HD3 ARG B 10 9.046 3.560 13.771 1.00 3.85 H new ATOM 0 HE ARG B 10 6.541 3.396 12.384 1.00 3.92 H new ATOM 0 HH11 ARG B 10 7.911 3.443 15.639 1.00 4.22 H new ATOM 0 HH12 ARG B 10 6.463 4.151 16.363 1.00 4.22 H new ATOM 0 HH21 ARG B 10 4.685 4.301 13.324 1.00 4.43 H new ATOM 0 HH22 ARG B 10 4.646 4.634 15.059 1.00 4.43 H new ATOM 1337 N THR B 11 8.971 1.087 8.925 1.00 2.72 N ATOM 1338 CA THR B 11 8.179 0.043 8.284 1.00 2.35 C ATOM 1339 C THR B 11 7.002 -0.366 9.167 1.00 2.40 C ATOM 1340 O THR B 11 7.194 -0.764 10.318 1.00 2.57 O ATOM 1341 CB THR B 11 9.038 -1.199 7.983 1.00 2.15 C ATOM 1342 OG1 THR B 11 10.311 -0.800 7.461 1.00 2.48 O ATOM 1343 CG2 THR B 11 8.342 -2.107 6.982 1.00 2.15 C ATOM 0 H THR B 11 9.832 0.756 9.361 1.00 2.72 H new ATOM 0 HA THR B 11 7.803 0.452 7.346 1.00 2.35 H new ATOM 0 HB THR B 11 9.181 -1.748 8.914 1.00 2.15 H new ATOM 0 HG1 THR B 11 10.873 -0.465 8.190 1.00 2.48 H new ATOM 0 HG21 THR B 11 8.967 -2.978 6.785 1.00 2.15 H new ATOM 0 HG22 THR B 11 7.385 -2.432 7.390 1.00 2.15 H new ATOM 0 HG23 THR B 11 8.174 -1.563 6.053 1.00 2.15 H new ATOM 1351 N LEU B 12 5.788 -0.269 8.630 1.00 2.42 N ATOM 1352 CA LEU B 12 4.592 -0.613 9.398 1.00 2.61 C ATOM 1353 C LEU B 12 4.160 -2.065 9.182 1.00 2.57 C ATOM 1354 O LEU B 12 3.443 -2.620 10.016 1.00 2.79 O ATOM 1355 CB LEU B 12 3.448 0.332 9.024 1.00 2.93 C ATOM 1356 CG LEU B 12 3.757 1.824 9.190 1.00 3.34 C ATOM 1357 CD1 LEU B 12 2.622 2.671 8.633 1.00 3.72 C ATOM 1358 CD2 LEU B 12 4.009 2.161 10.655 1.00 3.78 C ATOM 0 H LEU B 12 5.606 0.042 7.676 1.00 2.42 H new ATOM 0 HA LEU B 12 4.838 -0.502 10.454 1.00 2.61 H new ATOM 0 HB2 LEU B 12 3.170 0.148 7.986 1.00 2.93 H new ATOM 0 HB3 LEU B 12 2.580 0.086 9.635 1.00 2.93 H new ATOM 0 HG LEU B 12 4.662 2.051 8.627 1.00 3.34 H new ATOM 0 HD11 LEU B 12 2.860 3.727 8.760 1.00 3.72 H new ATOM 0 HD12 LEU B 12 2.492 2.453 7.573 1.00 3.72 H new ATOM 0 HD13 LEU B 12 1.700 2.440 9.167 1.00 3.72 H new ATOM 0 HD21 LEU B 12 4.227 3.225 10.751 1.00 3.78 H new ATOM 0 HD22 LEU B 12 3.124 1.917 11.242 1.00 3.78 H new ATOM 0 HD23 LEU B 12 4.857 1.583 11.021 1.00 3.78 H new ATOM 1370 N PHE B 13 4.580 -2.684 8.080 1.00 2.42 N ATOM 1371 CA PHE B 13 4.209 -4.076 7.810 1.00 2.54 C ATOM 1372 C PHE B 13 5.330 -4.822 7.091 1.00 2.25 C ATOM 1373 O PHE B 13 6.154 -4.210 6.410 1.00 1.97 O ATOM 1374 CB PHE B 13 2.933 -4.129 6.966 1.00 2.93 C ATOM 1375 CG PHE B 13 1.772 -3.402 7.583 1.00 3.43 C ATOM 1376 CD1 PHE B 13 0.928 -4.045 8.474 1.00 3.98 C ATOM 1377 CD2 PHE B 13 1.528 -2.074 7.273 1.00 3.89 C ATOM 1378 CE1 PHE B 13 -0.140 -3.376 9.043 1.00 4.67 C ATOM 1379 CE2 PHE B 13 0.463 -1.401 7.838 1.00 4.60 C ATOM 1380 CZ PHE B 13 -0.372 -2.052 8.724 1.00 4.88 C ATOM 0 H PHE B 13 5.169 -2.253 7.367 1.00 2.42 H new ATOM 0 HA PHE B 13 4.033 -4.564 8.769 1.00 2.54 H new ATOM 0 HB2 PHE B 13 3.139 -3.701 5.985 1.00 2.93 H new ATOM 0 HB3 PHE B 13 2.655 -5.171 6.808 1.00 2.93 H new ATOM 0 HD1 PHE B 13 1.106 -5.080 8.727 1.00 3.98 H new ATOM 0 HD2 PHE B 13 2.178 -1.559 6.581 1.00 3.89 H new ATOM 0 HE1 PHE B 13 -0.792 -3.888 9.736 1.00 4.67 H new ATOM 0 HE2 PHE B 13 0.283 -0.366 7.587 1.00 4.60 H new ATOM 0 HZ PHE B 13 -1.205 -1.527 9.167 1.00 4.88 H new ATOM 1390 N PRO B 14 5.373 -6.163 7.230 1.00 2.42 N ATOM 1391 CA PRO B 14 6.399 -6.987 6.592 1.00 2.31 C ATOM 1392 C PRO B 14 6.208 -7.102 5.079 1.00 2.34 C ATOM 1393 O PRO B 14 5.096 -7.294 4.586 1.00 2.77 O ATOM 1394 CB PRO B 14 6.257 -8.363 7.264 1.00 2.76 C ATOM 1395 CG PRO B 14 5.287 -8.171 8.387 1.00 3.11 C ATOM 1396 CD PRO B 14 4.448 -6.978 8.027 1.00 2.88 C ATOM 0 HA PRO B 14 7.389 -6.549 6.717 1.00 2.31 H new ATOM 0 HB2 PRO B 14 5.893 -9.108 6.556 1.00 2.76 H new ATOM 0 HB3 PRO B 14 7.219 -8.718 7.634 1.00 2.76 H new ATOM 0 HG2 PRO B 14 4.666 -9.057 8.518 1.00 3.11 H new ATOM 0 HG3 PRO B 14 5.811 -8.007 9.328 1.00 3.11 H new ATOM 0 HD2 PRO B 14 3.564 -7.262 7.456 1.00 2.88 H new ATOM 0 HD3 PRO B 14 4.099 -6.446 8.912 1.00 2.88 H new ATOM 1404 N TYR B 15 7.317 -6.976 4.366 1.00 2.05 N ATOM 1405 CA TYR B 15 7.348 -7.060 2.912 1.00 2.18 C ATOM 1406 C TYR B 15 8.559 -7.877 2.474 1.00 2.20 C ATOM 1407 O TYR B 15 9.683 -7.591 2.884 1.00 2.06 O ATOM 1408 CB TYR B 15 7.419 -5.662 2.294 1.00 2.12 C ATOM 1409 CG TYR B 15 7.636 -5.681 0.795 1.00 2.49 C ATOM 1410 CD1 TYR B 15 6.689 -6.239 -0.056 1.00 2.50 C ATOM 1411 CD2 TYR B 15 8.790 -5.149 0.232 1.00 3.05 C ATOM 1412 CE1 TYR B 15 6.885 -6.265 -1.423 1.00 2.98 C ATOM 1413 CE2 TYR B 15 8.993 -5.171 -1.134 1.00 3.52 C ATOM 1414 CZ TYR B 15 8.039 -5.729 -1.957 1.00 3.45 C ATOM 1415 OH TYR B 15 8.238 -5.752 -3.319 1.00 4.00 O ATOM 0 H TYR B 15 8.232 -6.811 4.785 1.00 2.05 H new ATOM 0 HA TYR B 15 6.434 -7.546 2.570 1.00 2.18 H new ATOM 0 HB2 TYR B 15 6.495 -5.128 2.514 1.00 2.12 H new ATOM 0 HB3 TYR B 15 8.229 -5.105 2.765 1.00 2.12 H new ATOM 0 HD1 TYR B 15 5.785 -6.659 0.359 1.00 2.50 H new ATOM 0 HD2 TYR B 15 9.541 -4.711 0.873 1.00 3.05 H new ATOM 0 HE1 TYR B 15 6.139 -6.702 -2.070 1.00 2.98 H new ATOM 0 HE2 TYR B 15 9.895 -4.753 -1.555 1.00 3.52 H new ATOM 0 HH TYR B 15 7.615 -5.131 -3.751 1.00 4.00 H new ATOM 1425 N THR B 16 8.327 -8.886 1.643 1.00 2.62 N ATOM 1426 CA THR B 16 9.407 -9.745 1.167 1.00 2.82 C ATOM 1427 C THR B 16 9.652 -9.552 -0.324 1.00 2.71 C ATOM 1428 O THR B 16 8.751 -9.743 -1.142 1.00 3.05 O ATOM 1429 CB THR B 16 9.092 -11.230 1.432 1.00 3.44 C ATOM 1430 OG1 THR B 16 8.774 -11.423 2.816 1.00 3.72 O ATOM 1431 CG2 THR B 16 10.272 -12.114 1.051 1.00 3.82 C ATOM 0 H THR B 16 7.404 -9.130 1.285 1.00 2.62 H new ATOM 0 HA THR B 16 10.304 -9.461 1.717 1.00 2.82 H new ATOM 0 HB THR B 16 8.236 -11.511 0.818 1.00 3.44 H new ATOM 0 HG1 THR B 16 8.573 -12.369 2.977 1.00 3.72 H new ATOM 0 HG21 THR B 16 10.024 -13.157 1.248 1.00 3.82 H new ATOM 0 HG22 THR B 16 10.494 -11.988 -0.009 1.00 3.82 H new ATOM 0 HG23 THR B 16 11.144 -11.831 1.641 1.00 3.82 H new ATOM 1439 N GLY B 17 10.883 -9.171 -0.667 1.00 2.63 N ATOM 1440 CA GLY B 17 11.237 -8.973 -2.060 1.00 2.64 C ATOM 1441 C GLY B 17 11.104 -10.249 -2.864 1.00 2.86 C ATOM 1442 O GLY B 17 11.391 -11.337 -2.362 1.00 3.22 O ATOM 0 H GLY B 17 11.638 -8.997 -0.004 1.00 2.63 H new ATOM 0 HA2 GLY B 17 10.596 -8.204 -2.491 1.00 2.64 H new ATOM 0 HA3 GLY B 17 12.262 -8.608 -2.126 1.00 2.64 H new ATOM 1446 N THR B 18 10.668 -10.120 -4.116 1.00 2.97 N ATOM 1447 CA THR B 18 10.517 -11.274 -4.996 1.00 3.40 C ATOM 1448 C THR B 18 11.608 -11.290 -6.061 1.00 3.24 C ATOM 1449 O THR B 18 11.879 -12.319 -6.681 1.00 3.53 O ATOM 1450 CB THR B 18 9.139 -11.286 -5.686 1.00 4.01 C ATOM 1451 OG1 THR B 18 8.917 -10.043 -6.364 1.00 4.37 O ATOM 1452 CG2 THR B 18 8.029 -11.525 -4.675 1.00 4.64 C ATOM 0 H THR B 18 10.414 -9.229 -4.542 1.00 2.97 H new ATOM 0 HA THR B 18 10.603 -12.163 -4.371 1.00 3.40 H new ATOM 0 HB THR B 18 9.129 -12.100 -6.411 1.00 4.01 H new ATOM 0 HG1 THR B 18 8.040 -10.061 -6.801 1.00 4.37 H new ATOM 0 HG21 THR B 18 7.066 -11.529 -5.186 1.00 4.64 H new ATOM 0 HG22 THR B 18 8.184 -12.486 -4.185 1.00 4.64 H new ATOM 0 HG23 THR B 18 8.040 -10.731 -3.928 1.00 4.64 H new ATOM 1460 N ASN B 19 12.227 -10.121 -6.256 1.00 2.97 N ATOM 1461 CA ASN B 19 13.300 -9.956 -7.231 1.00 2.95 C ATOM 1462 C ASN B 19 14.584 -9.515 -6.533 1.00 2.53 C ATOM 1463 O ASN B 19 14.547 -8.989 -5.420 1.00 2.37 O ATOM 1464 CB ASN B 19 12.907 -8.918 -8.287 1.00 3.31 C ATOM 1465 CG ASN B 19 11.512 -9.139 -8.842 1.00 3.62 C ATOM 1466 OD1 ASN B 19 10.835 -8.192 -9.242 1.00 3.98 O ATOM 1467 ND2 ASN B 19 11.074 -10.392 -8.869 1.00 4.05 N ATOM 0 H ASN B 19 11.997 -9.270 -5.744 1.00 2.97 H new ATOM 0 HA ASN B 19 13.469 -10.915 -7.721 1.00 2.95 H new ATOM 0 HB2 ASN B 19 12.965 -7.922 -7.849 1.00 3.31 H new ATOM 0 HB3 ASN B 19 13.627 -8.949 -9.105 1.00 3.31 H new ATOM 0 HD21 ASN B 19 10.143 -10.599 -9.231 1.00 4.05 H new ATOM 0 HD22 ASN B 19 11.668 -11.147 -8.527 1.00 4.05 H new ATOM 1474 N GLU B 20 15.716 -9.737 -7.193 1.00 2.59 N ATOM 1475 CA GLU B 20 17.019 -9.378 -6.637 1.00 2.51 C ATOM 1476 C GLU B 20 17.134 -7.872 -6.418 1.00 2.43 C ATOM 1477 O GLU B 20 17.826 -7.421 -5.504 1.00 2.58 O ATOM 1478 CB GLU B 20 18.139 -9.854 -7.566 1.00 2.89 C ATOM 1479 CG GLU B 20 18.080 -11.341 -7.883 1.00 3.34 C ATOM 1480 CD GLU B 20 18.112 -12.207 -6.637 1.00 3.79 C ATOM 1481 OE1 GLU B 20 19.223 -12.527 -6.164 1.00 4.26 O ATOM 1482 OE2 GLU B 20 17.026 -12.563 -6.133 1.00 4.19 O ATOM 0 H GLU B 20 15.759 -10.166 -8.118 1.00 2.59 H new ATOM 0 HA GLU B 20 17.116 -9.871 -5.670 1.00 2.51 H new ATOM 0 HB2 GLU B 20 18.090 -9.291 -8.498 1.00 2.89 H new ATOM 0 HB3 GLU B 20 19.101 -9.627 -7.107 1.00 2.89 H new ATOM 0 HG2 GLU B 20 17.170 -11.553 -8.444 1.00 3.34 H new ATOM 0 HG3 GLU B 20 18.920 -11.605 -8.526 1.00 3.34 H new ATOM 1489 N ASP B 21 16.448 -7.101 -7.258 1.00 2.53 N ATOM 1490 CA ASP B 21 16.482 -5.646 -7.155 1.00 2.79 C ATOM 1491 C ASP B 21 15.468 -5.146 -6.129 1.00 2.58 C ATOM 1492 O ASP B 21 15.430 -3.958 -5.810 1.00 2.78 O ATOM 1493 CB ASP B 21 16.212 -5.011 -8.520 1.00 3.35 C ATOM 1494 CG ASP B 21 15.002 -5.619 -9.207 1.00 3.78 C ATOM 1495 OD1 ASP B 21 13.868 -5.206 -8.891 1.00 4.22 O ATOM 1496 OD2 ASP B 21 15.190 -6.514 -10.059 1.00 4.18 O ATOM 0 H ASP B 21 15.864 -7.458 -8.014 1.00 2.53 H new ATOM 0 HA ASP B 21 17.477 -5.353 -6.820 1.00 2.79 H new ATOM 0 HB2 ASP B 21 16.057 -3.939 -8.396 1.00 3.35 H new ATOM 0 HB3 ASP B 21 17.089 -5.134 -9.156 1.00 3.35 H new ATOM 1501 N GLU B 22 14.658 -6.069 -5.604 1.00 2.35 N ATOM 1502 CA GLU B 22 13.643 -5.726 -4.615 1.00 2.22 C ATOM 1503 C GLU B 22 14.252 -5.630 -3.216 1.00 1.84 C ATOM 1504 O GLU B 22 15.309 -6.205 -2.951 1.00 1.91 O ATOM 1505 CB GLU B 22 12.522 -6.773 -4.631 1.00 2.44 C ATOM 1506 CG GLU B 22 11.170 -6.240 -4.177 1.00 2.91 C ATOM 1507 CD GLU B 22 10.628 -5.161 -5.095 1.00 3.33 C ATOM 1508 OE1 GLU B 22 10.930 -3.974 -4.857 1.00 3.68 O ATOM 1509 OE2 GLU B 22 9.901 -5.504 -6.051 1.00 3.77 O ATOM 0 H GLU B 22 14.688 -7.058 -5.850 1.00 2.35 H new ATOM 0 HA GLU B 22 13.228 -4.751 -4.873 1.00 2.22 H new ATOM 0 HB2 GLU B 22 12.424 -7.170 -5.641 1.00 2.44 H new ATOM 0 HB3 GLU B 22 12.807 -7.606 -3.988 1.00 2.44 H new ATOM 0 HG2 GLU B 22 10.457 -7.063 -4.130 1.00 2.91 H new ATOM 0 HG3 GLU B 22 11.262 -5.840 -3.167 1.00 2.91 H new ATOM 1516 N LEU B 23 13.582 -4.903 -2.331 1.00 1.69 N ATOM 1517 CA LEU B 23 14.036 -4.754 -0.949 1.00 1.59 C ATOM 1518 C LEU B 23 13.084 -5.492 -0.015 1.00 1.33 C ATOM 1519 O LEU B 23 11.900 -5.642 -0.317 1.00 1.30 O ATOM 1520 CB LEU B 23 14.110 -3.276 -0.556 1.00 1.92 C ATOM 1521 CG LEU B 23 15.530 -2.733 -0.355 1.00 2.39 C ATOM 1522 CD1 LEU B 23 15.494 -1.276 0.083 1.00 3.13 C ATOM 1523 CD2 LEU B 23 16.286 -3.577 0.663 1.00 2.61 C ATOM 0 H LEU B 23 12.718 -4.404 -2.544 1.00 1.69 H new ATOM 0 HA LEU B 23 15.035 -5.181 -0.864 1.00 1.59 H new ATOM 0 HB2 LEU B 23 13.616 -2.685 -1.327 1.00 1.92 H new ATOM 0 HB3 LEU B 23 13.547 -3.131 0.366 1.00 1.92 H new ATOM 0 HG LEU B 23 16.054 -2.790 -1.309 1.00 2.39 H new ATOM 0 HD11 LEU B 23 16.512 -0.912 0.220 1.00 3.13 H new ATOM 0 HD12 LEU B 23 14.994 -0.679 -0.680 1.00 3.13 H new ATOM 0 HD13 LEU B 23 14.950 -1.192 1.024 1.00 3.13 H new ATOM 0 HD21 LEU B 23 17.292 -3.177 0.793 1.00 2.61 H new ATOM 0 HD22 LEU B 23 15.760 -3.553 1.618 1.00 2.61 H new ATOM 0 HD23 LEU B 23 16.348 -4.606 0.308 1.00 2.61 H new ATOM 1535 N THR B 24 13.608 -5.953 1.118 1.00 1.49 N ATOM 1536 CA THR B 24 12.800 -6.654 2.110 1.00 1.61 C ATOM 1537 C THR B 24 12.742 -5.856 3.413 1.00 1.73 C ATOM 1538 O THR B 24 13.779 -5.448 3.936 1.00 2.12 O ATOM 1539 CB THR B 24 13.346 -8.071 2.388 1.00 2.09 C ATOM 1540 OG1 THR B 24 13.257 -8.869 1.202 1.00 2.21 O ATOM 1541 CG2 THR B 24 12.584 -8.753 3.519 1.00 2.46 C ATOM 0 H THR B 24 14.591 -5.853 1.371 1.00 1.49 H new ATOM 0 HA THR B 24 11.794 -6.752 1.702 1.00 1.61 H new ATOM 0 HB THR B 24 14.388 -7.972 2.691 1.00 2.09 H new ATOM 0 HG1 THR B 24 13.607 -9.766 1.384 1.00 2.21 H new ATOM 0 HG21 THR B 24 12.996 -9.748 3.687 1.00 2.46 H new ATOM 0 HG22 THR B 24 12.680 -8.162 4.430 1.00 2.46 H new ATOM 0 HG23 THR B 24 11.531 -8.837 3.250 1.00 2.46 H new ATOM 1549 N PHE B 25 11.541 -5.635 3.930 1.00 1.59 N ATOM 1550 CA PHE B 25 11.378 -4.859 5.161 1.00 1.85 C ATOM 1551 C PHE B 25 10.489 -5.565 6.174 1.00 2.01 C ATOM 1552 O PHE B 25 9.425 -6.060 5.825 1.00 2.00 O ATOM 1553 CB PHE B 25 10.766 -3.489 4.858 1.00 1.77 C ATOM 1554 CG PHE B 25 11.406 -2.759 3.713 1.00 1.55 C ATOM 1555 CD1 PHE B 25 12.625 -2.122 3.875 1.00 1.69 C ATOM 1556 CD2 PHE B 25 10.780 -2.696 2.479 1.00 1.98 C ATOM 1557 CE1 PHE B 25 13.208 -1.437 2.828 1.00 2.12 C ATOM 1558 CE2 PHE B 25 11.357 -2.011 1.428 1.00 2.46 C ATOM 1559 CZ PHE B 25 12.572 -1.380 1.603 1.00 2.49 C ATOM 0 H PHE B 25 10.670 -5.977 3.524 1.00 1.59 H new ATOM 0 HA PHE B 25 12.375 -4.746 5.587 1.00 1.85 H new ATOM 0 HB2 PHE B 25 9.706 -3.619 4.642 1.00 1.77 H new ATOM 0 HB3 PHE B 25 10.835 -2.869 5.752 1.00 1.77 H new ATOM 0 HD1 PHE B 25 13.125 -2.162 4.831 1.00 1.69 H new ATOM 0 HD2 PHE B 25 9.829 -3.188 2.337 1.00 1.98 H new ATOM 0 HE1 PHE B 25 14.160 -0.946 2.966 1.00 2.12 H new ATOM 0 HE2 PHE B 25 10.859 -1.969 0.471 1.00 2.46 H new ATOM 0 HZ PHE B 25 13.025 -0.842 0.783 1.00 2.49 H new ATOM 1569 N ARG B 26 10.919 -5.605 7.427 1.00 2.36 N ATOM 1570 CA ARG B 26 10.117 -6.227 8.476 1.00 2.64 C ATOM 1571 C ARG B 26 9.461 -5.148 9.332 1.00 2.55 C ATOM 1572 O ARG B 26 9.718 -3.960 9.140 1.00 2.38 O ATOM 1573 CB ARG B 26 10.975 -7.154 9.340 1.00 3.25 C ATOM 1574 CG ARG B 26 11.650 -8.266 8.552 1.00 3.51 C ATOM 1575 CD ARG B 26 12.465 -9.176 9.457 1.00 4.14 C ATOM 1576 NE ARG B 26 13.133 -10.235 8.704 1.00 4.69 N ATOM 1577 CZ ARG B 26 13.798 -11.240 9.269 1.00 5.47 C ATOM 1578 NH1 ARG B 26 13.889 -11.322 10.589 1.00 5.83 N ATOM 1579 NH2 ARG B 26 14.370 -12.165 8.512 1.00 6.21 N ATOM 0 H ARG B 26 11.809 -5.219 7.742 1.00 2.36 H new ATOM 0 HA ARG B 26 9.338 -6.831 8.010 1.00 2.64 H new ATOM 0 HB2 ARG B 26 11.739 -6.563 9.845 1.00 3.25 H new ATOM 0 HB3 ARG B 26 10.350 -7.597 10.115 1.00 3.25 H new ATOM 0 HG2 ARG B 26 10.895 -8.853 8.029 1.00 3.51 H new ATOM 0 HG3 ARG B 26 12.299 -7.832 7.791 1.00 3.51 H new ATOM 0 HD2 ARG B 26 13.209 -8.585 9.991 1.00 4.14 H new ATOM 0 HD3 ARG B 26 11.812 -9.621 10.208 1.00 4.14 H new ATOM 0 HE ARG B 26 13.087 -10.202 7.686 1.00 4.69 H new ATOM 0 HH11 ARG B 26 13.448 -10.613 11.176 1.00 5.83 H new ATOM 0 HH12 ARG B 26 14.400 -12.094 11.018 1.00 5.83 H new ATOM 0 HH21 ARG B 26 14.301 -12.107 7.496 1.00 6.21 H new ATOM 0 HH22 ARG B 26 14.880 -12.935 8.945 1.00 6.21 H new ATOM 1593 N GLU B 27 8.616 -5.557 10.275 1.00 2.79 N ATOM 1594 CA GLU B 27 7.941 -4.603 11.149 1.00 2.80 C ATOM 1595 C GLU B 27 8.870 -4.189 12.286 1.00 3.17 C ATOM 1596 O GLU B 27 9.528 -5.024 12.907 1.00 3.57 O ATOM 1597 CB GLU B 27 6.649 -5.208 11.704 1.00 3.01 C ATOM 1598 CG GLU B 27 5.748 -4.198 12.396 1.00 2.98 C ATOM 1599 CD GLU B 27 4.391 -4.777 12.749 1.00 3.49 C ATOM 1600 OE1 GLU B 27 3.485 -4.731 11.890 1.00 3.83 O ATOM 1601 OE2 GLU B 27 4.235 -5.279 13.882 1.00 3.87 O ATOM 0 H GLU B 27 8.384 -6.534 10.452 1.00 2.79 H new ATOM 0 HA GLU B 27 7.682 -3.717 10.569 1.00 2.80 H new ATOM 0 HB2 GLU B 27 6.097 -5.674 10.888 1.00 3.01 H new ATOM 0 HB3 GLU B 27 6.903 -5.999 12.410 1.00 3.01 H new ATOM 0 HG2 GLU B 27 6.235 -3.843 13.304 1.00 2.98 H new ATOM 0 HG3 GLU B 27 5.613 -3.332 11.748 1.00 2.98 H new ATOM 1608 N GLY B 28 8.912 -2.883 12.540 1.00 3.14 N ATOM 1609 CA GLY B 28 9.789 -2.343 13.565 1.00 3.60 C ATOM 1610 C GLY B 28 11.161 -2.033 12.996 1.00 3.75 C ATOM 1611 O GLY B 28 12.147 -1.922 13.725 1.00 4.23 O ATOM 0 H GLY B 28 8.351 -2.186 12.051 1.00 3.14 H new ATOM 0 HA2 GLY B 28 9.351 -1.437 13.983 1.00 3.60 H new ATOM 0 HA3 GLY B 28 9.883 -3.058 14.382 1.00 3.60 H new ATOM 1615 N GLU B 29 11.199 -1.896 11.673 1.00 3.41 N ATOM 1616 CA GLU B 29 12.427 -1.637 10.924 1.00 3.61 C ATOM 1617 C GLU B 29 12.625 -0.163 10.573 1.00 3.65 C ATOM 1618 O GLU B 29 11.802 0.698 10.890 1.00 3.39 O ATOM 1619 CB GLU B 29 12.469 -2.494 9.656 1.00 3.33 C ATOM 1620 CG GLU B 29 12.625 -3.982 9.930 1.00 3.45 C ATOM 1621 CD GLU B 29 13.903 -4.309 10.680 1.00 3.74 C ATOM 1622 OE1 GLU B 29 14.959 -4.438 10.026 1.00 3.93 O ATOM 1623 OE2 GLU B 29 13.848 -4.434 11.922 1.00 4.19 O ATOM 0 H GLU B 29 10.369 -1.962 11.084 1.00 3.41 H new ATOM 0 HA GLU B 29 13.251 -1.912 11.582 1.00 3.61 H new ATOM 0 HB2 GLU B 29 11.553 -2.332 9.088 1.00 3.33 H new ATOM 0 HB3 GLU B 29 13.296 -2.160 9.029 1.00 3.33 H new ATOM 0 HG2 GLU B 29 11.770 -4.332 10.508 1.00 3.45 H new ATOM 0 HG3 GLU B 29 12.615 -4.524 8.985 1.00 3.45 H new ATOM 1630 N ILE B 30 13.733 0.079 9.910 1.00 4.10 N ATOM 1631 CA ILE B 30 14.120 1.432 9.516 1.00 4.32 C ATOM 1632 C ILE B 30 14.519 1.486 8.046 1.00 4.27 C ATOM 1633 O ILE B 30 15.524 0.902 7.639 1.00 4.58 O ATOM 1634 CB ILE B 30 15.284 1.971 10.373 1.00 4.94 C ATOM 1635 CG1 ILE B 30 14.939 1.892 11.866 1.00 5.06 C ATOM 1636 CG2 ILE B 30 15.617 3.407 9.975 1.00 5.23 C ATOM 1637 CD1 ILE B 30 13.845 2.848 12.296 1.00 4.81 C ATOM 0 H ILE B 30 14.393 -0.645 9.626 1.00 4.10 H new ATOM 0 HA ILE B 30 13.245 2.062 9.678 1.00 4.32 H new ATOM 0 HB ILE B 30 16.161 1.349 10.192 1.00 4.94 H new ATOM 0 HG12 ILE B 30 14.632 0.874 12.104 1.00 5.06 H new ATOM 0 HG13 ILE B 30 15.837 2.098 12.448 1.00 5.06 H new ATOM 0 HG21 ILE B 30 16.440 3.773 10.589 1.00 5.23 H new ATOM 0 HG22 ILE B 30 15.907 3.436 8.925 1.00 5.23 H new ATOM 0 HG23 ILE B 30 14.742 4.039 10.127 1.00 5.23 H new ATOM 0 HD11 ILE B 30 13.659 2.732 13.364 1.00 4.81 H new ATOM 0 HD12 ILE B 30 14.156 3.872 12.091 1.00 4.81 H new ATOM 0 HD13 ILE B 30 12.932 2.629 11.743 1.00 4.81 H new ATOM 1649 N ILE B 31 13.717 2.192 7.259 1.00 3.95 N ATOM 1650 CA ILE B 31 13.961 2.343 5.830 1.00 3.95 C ATOM 1651 C ILE B 31 14.454 3.750 5.514 1.00 4.46 C ATOM 1652 O ILE B 31 13.841 4.733 5.924 1.00 4.64 O ATOM 1653 CB ILE B 31 12.679 2.059 5.018 1.00 3.46 C ATOM 1654 CG1 ILE B 31 12.068 0.720 5.446 1.00 2.97 C ATOM 1655 CG2 ILE B 31 12.984 2.061 3.524 1.00 3.48 C ATOM 1656 CD1 ILE B 31 10.749 0.405 4.772 1.00 2.59 C ATOM 0 H ILE B 31 12.882 2.674 7.592 1.00 3.95 H new ATOM 0 HA ILE B 31 14.727 1.621 5.549 1.00 3.95 H new ATOM 0 HB ILE B 31 11.954 2.848 5.218 1.00 3.46 H new ATOM 0 HG12 ILE B 31 12.777 -0.078 5.227 1.00 2.97 H new ATOM 0 HG13 ILE B 31 11.920 0.728 6.526 1.00 2.97 H new ATOM 0 HG21 ILE B 31 12.070 1.859 2.966 1.00 3.48 H new ATOM 0 HG22 ILE B 31 13.379 3.035 3.234 1.00 3.48 H new ATOM 0 HG23 ILE B 31 13.722 1.290 3.302 1.00 3.48 H new ATOM 0 HD11 ILE B 31 10.380 -0.558 5.126 1.00 2.59 H new ATOM 0 HD12 ILE B 31 10.023 1.182 5.012 1.00 2.59 H new ATOM 0 HD13 ILE B 31 10.893 0.363 3.692 1.00 2.59 H new ATOM 1668 N HIS B 32 15.558 3.844 4.777 1.00 4.75 N ATOM 1669 CA HIS B 32 16.113 5.141 4.404 1.00 5.28 C ATOM 1670 C HIS B 32 15.514 5.600 3.080 1.00 5.20 C ATOM 1671 O HIS B 32 15.539 4.867 2.094 1.00 5.08 O ATOM 1672 CB HIS B 32 17.638 5.060 4.298 1.00 5.69 C ATOM 1673 CG HIS B 32 18.294 4.541 5.540 1.00 6.15 C ATOM 1674 ND1 HIS B 32 18.051 5.062 6.794 1.00 6.55 N ATOM 1675 CD2 HIS B 32 19.183 3.536 5.719 1.00 6.53 C ATOM 1676 CE1 HIS B 32 18.763 4.402 7.689 1.00 7.12 C ATOM 1677 NE2 HIS B 32 19.458 3.471 7.062 1.00 7.14 N ATOM 0 H HIS B 32 16.083 3.042 4.428 1.00 4.75 H new ATOM 0 HA HIS B 32 15.861 5.867 5.177 1.00 5.28 H new ATOM 0 HB2 HIS B 32 17.903 4.415 3.460 1.00 5.69 H new ATOM 0 HB3 HIS B 32 18.032 6.051 4.075 1.00 5.69 H new ATOM 0 HD1 HIS B 32 17.420 5.837 6.998 1.00 6.55 H new ATOM 0 HD2 HIS B 32 19.598 2.903 4.949 1.00 6.53 H new ATOM 0 HE1 HIS B 32 18.775 4.591 8.752 1.00 7.12 H new ATOM 1686 N LEU B 33 14.974 6.817 3.063 1.00 5.34 N ATOM 1687 CA LEU B 33 14.352 7.358 1.860 1.00 5.40 C ATOM 1688 C LEU B 33 15.408 7.741 0.825 1.00 5.86 C ATOM 1689 O LEU B 33 16.356 8.468 1.124 1.00 6.33 O ATOM 1690 CB LEU B 33 13.483 8.572 2.206 1.00 5.56 C ATOM 1691 CG LEU B 33 12.175 8.686 1.415 1.00 5.46 C ATOM 1692 CD1 LEU B 33 11.406 9.933 1.829 1.00 5.60 C ATOM 1693 CD2 LEU B 33 12.447 8.697 -0.084 1.00 5.63 C ATOM 0 H LEU B 33 14.955 7.444 3.867 1.00 5.34 H new ATOM 0 HA LEU B 33 13.717 6.583 1.430 1.00 5.40 H new ATOM 0 HB2 LEU B 33 13.244 8.536 3.269 1.00 5.56 H new ATOM 0 HB3 LEU B 33 14.069 9.476 2.041 1.00 5.56 H new ATOM 0 HG LEU B 33 11.563 7.813 1.642 1.00 5.46 H new ATOM 0 HD11 LEU B 33 10.481 9.997 1.257 1.00 5.60 H new ATOM 0 HD12 LEU B 33 11.172 9.880 2.892 1.00 5.60 H new ATOM 0 HD13 LEU B 33 12.014 10.817 1.635 1.00 5.60 H new ATOM 0 HD21 LEU B 33 11.504 8.779 -0.624 1.00 5.63 H new ATOM 0 HD22 LEU B 33 13.082 9.547 -0.332 1.00 5.63 H new ATOM 0 HD23 LEU B 33 12.950 7.773 -0.369 1.00 5.63 H new ATOM 1705 N ILE B 34 15.224 7.240 -0.382 1.00 5.75 N ATOM 1706 CA ILE B 34 16.145 7.506 -1.483 1.00 6.18 C ATOM 1707 C ILE B 34 15.491 8.403 -2.532 1.00 6.46 C ATOM 1708 O ILE B 34 16.073 9.401 -2.959 1.00 6.97 O ATOM 1709 CB ILE B 34 16.617 6.194 -2.150 1.00 5.96 C ATOM 1710 CG1 ILE B 34 17.419 5.344 -1.156 1.00 5.72 C ATOM 1711 CG2 ILE B 34 17.446 6.487 -3.395 1.00 6.44 C ATOM 1712 CD1 ILE B 34 18.720 5.983 -0.713 1.00 6.06 C ATOM 0 H ILE B 34 14.438 6.640 -0.631 1.00 5.75 H new ATOM 0 HA ILE B 34 17.012 8.017 -1.064 1.00 6.18 H new ATOM 0 HB ILE B 34 15.735 5.630 -2.454 1.00 5.96 H new ATOM 0 HG12 ILE B 34 16.803 5.151 -0.278 1.00 5.72 H new ATOM 0 HG13 ILE B 34 17.636 4.378 -1.612 1.00 5.72 H new ATOM 0 HG21 ILE B 34 17.767 5.549 -3.847 1.00 6.44 H new ATOM 0 HG22 ILE B 34 16.843 7.047 -4.110 1.00 6.44 H new ATOM 0 HG23 ILE B 34 18.321 7.075 -3.119 1.00 6.44 H new ATOM 0 HD11 ILE B 34 19.230 5.322 -0.012 1.00 6.06 H new ATOM 0 HD12 ILE B 34 19.357 6.151 -1.581 1.00 6.06 H new ATOM 0 HD13 ILE B 34 18.510 6.936 -0.227 1.00 6.06 H new ATOM 1724 N SER B 35 14.281 8.041 -2.937 1.00 6.18 N ATOM 1725 CA SER B 35 13.546 8.810 -3.940 1.00 6.50 C ATOM 1726 C SER B 35 12.078 8.397 -4.014 1.00 6.25 C ATOM 1727 O SER B 35 11.755 7.276 -4.407 1.00 5.79 O ATOM 1728 CB SER B 35 14.197 8.648 -5.316 1.00 6.64 C ATOM 1729 OG SER B 35 14.216 7.290 -5.719 1.00 7.03 O ATOM 0 H SER B 35 13.785 7.221 -2.588 1.00 6.18 H new ATOM 0 HA SER B 35 13.585 9.856 -3.637 1.00 6.50 H new ATOM 0 HB2 SER B 35 13.652 9.240 -6.051 1.00 6.64 H new ATOM 0 HB3 SER B 35 15.215 9.035 -5.287 1.00 6.64 H new ATOM 0 HG SER B 35 14.636 7.217 -6.602 1.00 7.03 H new ATOM 1735 N LYS B 36 11.194 9.317 -3.628 1.00 6.58 N ATOM 1736 CA LYS B 36 9.754 9.070 -3.670 1.00 6.47 C ATOM 1737 C LYS B 36 9.245 8.992 -5.110 1.00 6.70 C ATOM 1738 O LYS B 36 8.041 8.881 -5.342 1.00 6.67 O ATOM 1739 CB LYS B 36 9.002 10.171 -2.915 1.00 6.78 C ATOM 1740 CG LYS B 36 9.286 10.190 -1.421 1.00 6.60 C ATOM 1741 CD LYS B 36 8.469 11.256 -0.703 1.00 6.92 C ATOM 1742 CE LYS B 36 8.866 12.661 -1.136 1.00 7.04 C ATOM 1743 NZ LYS B 36 10.314 12.927 -0.908 1.00 7.52 N ATOM 0 H LYS B 36 11.451 10.241 -3.282 1.00 6.58 H new ATOM 0 HA LYS B 36 9.569 8.110 -3.188 1.00 6.47 H new ATOM 0 HB2 LYS B 36 9.270 11.139 -3.339 1.00 6.78 H new ATOM 0 HB3 LYS B 36 7.931 10.040 -3.071 1.00 6.78 H new ATOM 0 HG2 LYS B 36 9.061 9.212 -0.996 1.00 6.60 H new ATOM 0 HG3 LYS B 36 10.348 10.373 -1.255 1.00 6.60 H new ATOM 0 HD2 LYS B 36 7.409 11.099 -0.905 1.00 6.92 H new ATOM 0 HD3 LYS B 36 8.606 11.155 0.374 1.00 6.92 H new ATOM 0 HE2 LYS B 36 8.635 12.793 -2.193 1.00 7.04 H new ATOM 0 HE3 LYS B 36 8.272 13.391 -0.586 1.00 7.04 H new ATOM 0 HZ1 LYS B 36 10.490 13.951 -0.954 1.00 7.52 H new ATOM 0 HZ2 LYS B 36 10.589 12.570 0.029 1.00 7.52 H new ATOM 0 HZ3 LYS B 36 10.875 12.446 -1.640 1.00 7.52 H new ATOM 1757 N GLU B 37 10.171 9.049 -6.079 1.00 7.01 N ATOM 1758 CA GLU B 37 9.818 8.975 -7.493 1.00 7.29 C ATOM 1759 C GLU B 37 10.531 7.800 -8.156 1.00 7.12 C ATOM 1760 O GLU B 37 11.721 7.882 -8.462 1.00 7.28 O ATOM 1761 CB GLU B 37 10.198 10.288 -8.190 1.00 7.94 C ATOM 1762 CG GLU B 37 9.738 10.381 -9.638 1.00 8.15 C ATOM 1763 CD GLU B 37 10.559 9.513 -10.574 1.00 8.62 C ATOM 1764 OE1 GLU B 37 11.749 9.827 -10.785 1.00 8.93 O ATOM 1765 OE2 GLU B 37 10.013 8.518 -11.095 1.00 8.92 O ATOM 0 H GLU B 37 11.171 9.146 -5.902 1.00 7.01 H new ATOM 0 HA GLU B 37 8.743 8.822 -7.583 1.00 7.29 H new ATOM 0 HB2 GLU B 37 9.771 11.120 -7.631 1.00 7.94 H new ATOM 0 HB3 GLU B 37 11.281 10.404 -8.156 1.00 7.94 H new ATOM 0 HG2 GLU B 37 8.691 10.086 -9.701 1.00 8.15 H new ATOM 0 HG3 GLU B 37 9.797 11.418 -9.967 1.00 8.15 H new ATOM 1772 N THR B 38 9.801 6.705 -8.367 1.00 6.83 N ATOM 1773 CA THR B 38 10.371 5.509 -8.982 1.00 6.67 C ATOM 1774 C THR B 38 9.782 5.249 -10.365 1.00 7.05 C ATOM 1775 O THR B 38 10.185 4.311 -11.053 1.00 7.02 O ATOM 1776 CB THR B 38 10.118 4.269 -8.101 1.00 6.06 C ATOM 1777 OG1 THR B 38 8.725 3.929 -8.119 1.00 5.92 O ATOM 1778 CG2 THR B 38 10.560 4.526 -6.668 1.00 5.76 C ATOM 0 H THR B 38 8.815 6.623 -8.121 1.00 6.83 H new ATOM 0 HA THR B 38 11.442 5.686 -9.080 1.00 6.67 H new ATOM 0 HB THR B 38 10.700 3.440 -8.504 1.00 6.06 H new ATOM 0 HG1 THR B 38 8.312 4.197 -7.272 1.00 5.92 H new ATOM 0 HG21 THR B 38 10.372 3.638 -6.064 1.00 5.76 H new ATOM 0 HG22 THR B 38 11.625 4.757 -6.652 1.00 5.76 H new ATOM 0 HG23 THR B 38 10.000 5.367 -6.260 1.00 5.76 H new ATOM 1786 N GLY B 39 8.825 6.085 -10.764 1.00 7.47 N ATOM 1787 CA GLY B 39 8.192 5.928 -12.062 1.00 7.90 C ATOM 1788 C GLY B 39 6.946 5.070 -11.986 1.00 7.94 C ATOM 1789 O GLY B 39 6.232 4.909 -12.977 1.00 8.42 O ATOM 0 H GLY B 39 8.477 6.868 -10.211 1.00 7.47 H new ATOM 0 HA2 GLY B 39 7.933 6.909 -12.460 1.00 7.90 H new ATOM 0 HA3 GLY B 39 8.900 5.478 -12.758 1.00 7.90 H new ATOM 1793 N GLU B 40 6.689 4.517 -10.799 1.00 7.48 N ATOM 1794 CA GLU B 40 5.526 3.667 -10.575 1.00 7.53 C ATOM 1795 C GLU B 40 4.710 4.183 -9.393 1.00 7.35 C ATOM 1796 O GLU B 40 5.210 4.265 -8.270 1.00 6.94 O ATOM 1797 CB GLU B 40 5.970 2.223 -10.318 1.00 7.20 C ATOM 1798 CG GLU B 40 4.822 1.221 -10.298 1.00 7.44 C ATOM 1799 CD GLU B 40 5.279 -0.198 -9.999 1.00 7.63 C ATOM 1800 OE1 GLU B 40 6.297 -0.363 -9.292 1.00 7.96 O ATOM 1801 OE2 GLU B 40 4.619 -1.147 -10.474 1.00 7.73 O ATOM 0 H GLU B 40 7.277 4.646 -9.976 1.00 7.48 H new ATOM 0 HA GLU B 40 4.900 3.691 -11.467 1.00 7.53 H new ATOM 0 HB2 GLU B 40 6.683 1.929 -11.088 1.00 7.20 H new ATOM 0 HB3 GLU B 40 6.495 2.179 -9.364 1.00 7.20 H new ATOM 0 HG2 GLU B 40 4.092 1.528 -9.549 1.00 7.44 H new ATOM 0 HG3 GLU B 40 4.315 1.238 -11.263 1.00 7.44 H new ATOM 1808 N ALA B 41 3.454 4.531 -9.658 1.00 7.70 N ATOM 1809 CA ALA B 41 2.557 5.042 -8.625 1.00 7.61 C ATOM 1810 C ALA B 41 2.393 4.039 -7.488 1.00 7.15 C ATOM 1811 O ALA B 41 2.160 2.853 -7.720 1.00 7.30 O ATOM 1812 CB ALA B 41 1.201 5.377 -9.231 1.00 8.20 C ATOM 0 H ALA B 41 3.032 4.468 -10.585 1.00 7.70 H new ATOM 0 HA ALA B 41 2.999 5.948 -8.211 1.00 7.61 H new ATOM 0 HB1 ALA B 41 0.539 5.757 -8.453 1.00 8.20 H new ATOM 0 HB2 ALA B 41 1.325 6.135 -10.004 1.00 8.20 H new ATOM 0 HB3 ALA B 41 0.767 4.479 -9.670 1.00 8.20 H new ATOM 1818 N GLY B 42 2.520 4.530 -6.256 1.00 6.68 N ATOM 1819 CA GLY B 42 2.392 3.674 -5.089 1.00 6.22 C ATOM 1820 C GLY B 42 3.704 3.019 -4.696 1.00 5.64 C ATOM 1821 O GLY B 42 3.753 2.276 -3.717 1.00 5.21 O ATOM 0 H GLY B 42 2.710 5.510 -6.046 1.00 6.68 H new ATOM 0 HA2 GLY B 42 2.019 4.263 -4.251 1.00 6.22 H new ATOM 0 HA3 GLY B 42 1.651 2.901 -5.290 1.00 6.22 H new ATOM 1825 N TRP B 43 4.772 3.288 -5.443 1.00 5.67 N ATOM 1826 CA TRP B 43 6.067 2.682 -5.145 1.00 5.17 C ATOM 1827 C TRP B 43 7.151 3.732 -4.916 1.00 5.12 C ATOM 1828 O TRP B 43 7.401 4.584 -5.769 1.00 5.51 O ATOM 1829 CB TRP B 43 6.487 1.751 -6.283 1.00 5.28 C ATOM 1830 CG TRP B 43 5.607 0.545 -6.433 1.00 5.31 C ATOM 1831 CD1 TRP B 43 4.399 0.483 -7.064 1.00 5.83 C ATOM 1832 CD2 TRP B 43 5.872 -0.774 -5.945 1.00 4.91 C ATOM 1833 NE1 TRP B 43 3.901 -0.796 -7.005 1.00 5.80 N ATOM 1834 CE2 TRP B 43 4.787 -1.586 -6.320 1.00 5.25 C ATOM 1835 CE3 TRP B 43 6.924 -1.347 -5.229 1.00 4.38 C ATOM 1836 CZ2 TRP B 43 4.726 -2.941 -6.003 1.00 5.10 C ATOM 1837 CZ3 TRP B 43 6.864 -2.690 -4.913 1.00 4.21 C ATOM 1838 CH2 TRP B 43 5.772 -3.475 -5.300 1.00 4.58 C ATOM 0 H TRP B 43 4.768 3.913 -6.249 1.00 5.67 H new ATOM 0 HA TRP B 43 5.954 2.112 -4.223 1.00 5.17 H new ATOM 0 HB2 TRP B 43 6.483 2.311 -7.218 1.00 5.28 H new ATOM 0 HB3 TRP B 43 7.512 1.423 -6.112 1.00 5.28 H new ATOM 0 HD1 TRP B 43 3.906 1.318 -7.540 1.00 5.83 H new ATOM 0 HE1 TRP B 43 3.016 -1.107 -7.406 1.00 5.80 H new ATOM 0 HE3 TRP B 43 7.772 -0.750 -4.927 1.00 4.38 H new ATOM 0 HZ2 TRP B 43 3.884 -3.548 -6.301 1.00 5.10 H new ATOM 0 HZ3 TRP B 43 7.673 -3.142 -4.358 1.00 4.21 H new ATOM 0 HH2 TRP B 43 5.754 -4.523 -5.039 1.00 4.58 H new ATOM 1849 N TRP B 44 7.788 3.654 -3.745 1.00 4.72 N ATOM 1850 CA TRP B 44 8.872 4.560 -3.374 1.00 4.75 C ATOM 1851 C TRP B 44 10.191 3.796 -3.366 1.00 4.41 C ATOM 1852 O TRP B 44 10.194 2.565 -3.366 1.00 3.96 O ATOM 1853 CB TRP B 44 8.625 5.151 -1.984 1.00 4.63 C ATOM 1854 CG TRP B 44 7.705 6.334 -1.965 1.00 5.05 C ATOM 1855 CD1 TRP B 44 7.126 6.953 -3.036 1.00 5.56 C ATOM 1856 CD2 TRP B 44 7.263 7.044 -0.803 1.00 5.06 C ATOM 1857 NE1 TRP B 44 6.351 8.005 -2.608 1.00 5.87 N ATOM 1858 CE2 TRP B 44 6.419 8.080 -1.241 1.00 5.57 C ATOM 1859 CE3 TRP B 44 7.500 6.900 0.567 1.00 4.73 C ATOM 1860 CZ2 TRP B 44 5.812 8.968 -0.357 1.00 5.73 C ATOM 1861 CZ3 TRP B 44 6.899 7.781 1.444 1.00 4.91 C ATOM 1862 CH2 TRP B 44 6.062 8.804 0.979 1.00 5.40 C ATOM 0 H TRP B 44 7.566 2.961 -3.030 1.00 4.72 H new ATOM 0 HA TRP B 44 8.914 5.371 -4.101 1.00 4.75 H new ATOM 0 HB2 TRP B 44 8.210 4.374 -1.341 1.00 4.63 H new ATOM 0 HB3 TRP B 44 9.582 5.444 -1.553 1.00 4.63 H new ATOM 0 HD1 TRP B 44 7.258 6.659 -4.067 1.00 5.56 H new ATOM 0 HE1 TRP B 44 5.813 8.628 -3.210 1.00 5.87 H new ATOM 0 HE3 TRP B 44 8.142 6.113 0.933 1.00 4.73 H new ATOM 0 HZ2 TRP B 44 5.167 9.758 -0.712 1.00 5.73 H new ATOM 0 HZ3 TRP B 44 7.077 7.680 2.504 1.00 4.91 H new ATOM 0 HH2 TRP B 44 5.605 9.477 1.689 1.00 5.40 H new ATOM 1873 N LYS B 45 11.309 4.520 -3.349 1.00 4.69 N ATOM 1874 CA LYS B 45 12.623 3.885 -3.341 1.00 4.50 C ATOM 1875 C LYS B 45 13.371 4.197 -2.052 1.00 4.49 C ATOM 1876 O LYS B 45 13.443 5.349 -1.623 1.00 4.93 O ATOM 1877 CB LYS B 45 13.456 4.346 -4.540 1.00 4.91 C ATOM 1878 CG LYS B 45 14.811 3.660 -4.641 1.00 4.77 C ATOM 1879 CD LYS B 45 15.583 4.117 -5.870 1.00 5.23 C ATOM 1880 CE LYS B 45 16.947 3.448 -5.956 1.00 5.18 C ATOM 1881 NZ LYS B 45 16.839 1.963 -5.982 1.00 5.33 N ATOM 0 H LYS B 45 11.330 5.540 -3.341 1.00 4.69 H new ATOM 0 HA LYS B 45 12.469 2.808 -3.407 1.00 4.50 H new ATOM 0 HB2 LYS B 45 12.894 4.159 -5.455 1.00 4.91 H new ATOM 0 HB3 LYS B 45 13.608 5.423 -4.474 1.00 4.91 H new ATOM 0 HG2 LYS B 45 15.394 3.873 -3.745 1.00 4.77 H new ATOM 0 HG3 LYS B 45 14.670 2.580 -4.681 1.00 4.77 H new ATOM 0 HD2 LYS B 45 15.008 3.888 -6.767 1.00 5.23 H new ATOM 0 HD3 LYS B 45 15.709 5.199 -5.839 1.00 5.23 H new ATOM 0 HE2 LYS B 45 17.463 3.790 -6.853 1.00 5.18 H new ATOM 0 HE3 LYS B 45 17.555 3.753 -5.104 1.00 5.18 H new ATOM 0 HZ1 LYS B 45 17.758 1.553 -6.243 1.00 5.33 H new ATOM 0 HZ2 LYS B 45 16.561 1.619 -5.041 1.00 5.33 H new ATOM 0 HZ3 LYS B 45 16.122 1.679 -6.680 1.00 5.33 H new ATOM 1895 N GLY B 46 13.916 3.151 -1.442 1.00 4.06 N ATOM 1896 CA GLY B 46 14.668 3.308 -0.210 1.00 4.14 C ATOM 1897 C GLY B 46 15.914 2.446 -0.200 1.00 4.03 C ATOM 1898 O GLY B 46 16.133 1.661 -1.124 1.00 3.73 O ATOM 0 H GLY B 46 13.850 2.191 -1.781 1.00 4.06 H new ATOM 0 HA2 GLY B 46 14.948 4.354 -0.086 1.00 4.14 H new ATOM 0 HA3 GLY B 46 14.036 3.044 0.638 1.00 4.14 H new ATOM 1902 N GLU B 47 16.737 2.590 0.838 1.00 4.35 N ATOM 1903 CA GLU B 47 17.956 1.799 0.955 1.00 4.42 C ATOM 1904 C GLU B 47 17.984 1.063 2.287 1.00 4.29 C ATOM 1905 O GLU B 47 17.707 1.637 3.341 1.00 4.48 O ATOM 1906 CB GLU B 47 19.201 2.677 0.798 1.00 5.05 C ATOM 1907 CG GLU B 47 20.510 1.907 0.891 1.00 5.29 C ATOM 1908 CD GLU B 47 21.721 2.794 0.669 1.00 5.65 C ATOM 1909 OE1 GLU B 47 22.071 3.036 -0.506 1.00 6.02 O ATOM 1910 OE2 GLU B 47 22.317 3.248 1.669 1.00 5.74 O ATOM 0 H GLU B 47 16.581 3.244 1.605 1.00 4.35 H new ATOM 0 HA GLU B 47 17.962 1.064 0.150 1.00 4.42 H new ATOM 0 HB2 GLU B 47 19.157 3.185 -0.165 1.00 5.05 H new ATOM 0 HB3 GLU B 47 19.189 3.449 1.567 1.00 5.05 H new ATOM 0 HG2 GLU B 47 20.583 1.437 1.872 1.00 5.29 H new ATOM 0 HG3 GLU B 47 20.510 1.105 0.152 1.00 5.29 H new ATOM 1917 N LEU B 48 18.318 -0.216 2.211 1.00 4.02 N ATOM 1918 CA LEU B 48 18.411 -1.077 3.379 1.00 3.99 C ATOM 1919 C LEU B 48 19.743 -1.821 3.364 1.00 4.21 C ATOM 1920 O LEU B 48 20.463 -1.763 2.377 1.00 4.01 O ATOM 1921 CB LEU B 48 17.232 -2.054 3.451 1.00 3.43 C ATOM 1922 CG LEU B 48 16.867 -2.549 4.856 1.00 3.46 C ATOM 1923 CD1 LEU B 48 16.393 -1.396 5.730 1.00 3.78 C ATOM 1924 CD2 LEU B 48 15.801 -3.632 4.775 1.00 2.98 C ATOM 0 H LEU B 48 18.533 -0.688 1.333 1.00 4.02 H new ATOM 0 HA LEU B 48 18.364 -0.455 4.273 1.00 3.99 H new ATOM 0 HB2 LEU B 48 16.357 -1.572 3.016 1.00 3.43 H new ATOM 0 HB3 LEU B 48 17.461 -2.919 2.829 1.00 3.43 H new ATOM 0 HG LEU B 48 17.761 -2.974 5.312 1.00 3.46 H new ATOM 0 HD11 LEU B 48 16.140 -1.771 6.722 1.00 3.78 H new ATOM 0 HD12 LEU B 48 17.187 -0.654 5.815 1.00 3.78 H new ATOM 0 HD13 LEU B 48 15.513 -0.937 5.280 1.00 3.78 H new ATOM 0 HD21 LEU B 48 15.552 -3.974 5.780 1.00 2.98 H new ATOM 0 HD22 LEU B 48 14.908 -3.229 4.297 1.00 2.98 H new ATOM 0 HD23 LEU B 48 16.178 -4.471 4.190 1.00 2.98 H new ATOM 1936 N ASN B 49 20.038 -2.503 4.473 1.00 4.70 N ATOM 1937 CA ASN B 49 21.298 -3.242 4.687 1.00 5.05 C ATOM 1938 C ASN B 49 22.108 -3.554 3.411 1.00 5.24 C ATOM 1939 O ASN B 49 22.274 -4.716 3.038 1.00 5.39 O ATOM 1940 CB ASN B 49 20.976 -4.561 5.396 1.00 4.80 C ATOM 1941 CG ASN B 49 20.218 -4.357 6.695 1.00 4.86 C ATOM 1942 OD1 ASN B 49 20.367 -3.333 7.362 1.00 5.32 O ATOM 1943 ND2 ASN B 49 19.399 -5.336 7.062 1.00 4.62 N ATOM 0 H ASN B 49 19.400 -2.562 5.266 1.00 4.70 H new ATOM 0 HA ASN B 49 21.929 -2.583 5.283 1.00 5.05 H new ATOM 0 HB2 ASN B 49 20.386 -5.192 4.731 1.00 4.80 H new ATOM 0 HB3 ASN B 49 21.904 -5.095 5.601 1.00 4.80 H new ATOM 0 HD21 ASN B 49 18.864 -5.256 7.926 1.00 4.62 H new ATOM 0 HD22 ASN B 49 19.305 -6.168 6.479 1.00 4.62 H new ATOM 1950 N GLY B 50 22.596 -2.503 2.745 1.00 5.30 N ATOM 1951 CA GLY B 50 23.433 -2.673 1.562 1.00 5.53 C ATOM 1952 C GLY B 50 22.666 -2.899 0.266 1.00 5.10 C ATOM 1953 O GLY B 50 23.259 -2.858 -0.812 1.00 5.29 O ATOM 0 H GLY B 50 22.425 -1.532 3.006 1.00 5.30 H new ATOM 0 HA2 GLY B 50 24.060 -1.789 1.447 1.00 5.53 H new ATOM 0 HA3 GLY B 50 24.101 -3.519 1.725 1.00 5.53 H new ATOM 1957 N LYS B 51 21.359 -3.131 0.357 1.00 4.57 N ATOM 1958 CA LYS B 51 20.536 -3.360 -0.832 1.00 4.17 C ATOM 1959 C LYS B 51 19.450 -2.299 -0.960 1.00 3.96 C ATOM 1960 O LYS B 51 18.889 -1.852 0.035 1.00 3.78 O ATOM 1961 CB LYS B 51 19.891 -4.746 -0.766 1.00 3.78 C ATOM 1962 CG LYS B 51 20.892 -5.887 -0.667 1.00 4.06 C ATOM 1963 CD LYS B 51 21.930 -5.826 -1.778 1.00 4.39 C ATOM 1964 CE LYS B 51 22.866 -7.024 -1.736 1.00 4.78 C ATOM 1965 NZ LYS B 51 23.905 -6.951 -2.799 1.00 5.33 N ATOM 0 H LYS B 51 20.846 -3.166 1.238 1.00 4.57 H new ATOM 0 HA LYS B 51 21.184 -3.300 -1.706 1.00 4.17 H new ATOM 0 HB2 LYS B 51 19.224 -4.785 0.095 1.00 3.78 H new ATOM 0 HB3 LYS B 51 19.275 -4.892 -1.653 1.00 3.78 H new ATOM 0 HG2 LYS B 51 21.392 -5.849 0.301 1.00 4.06 H new ATOM 0 HG3 LYS B 51 20.364 -6.839 -0.715 1.00 4.06 H new ATOM 0 HD2 LYS B 51 21.428 -5.790 -2.745 1.00 4.39 H new ATOM 0 HD3 LYS B 51 22.509 -4.907 -1.685 1.00 4.39 H new ATOM 0 HE2 LYS B 51 23.348 -7.075 -0.760 1.00 4.78 H new ATOM 0 HE3 LYS B 51 22.289 -7.941 -1.854 1.00 4.78 H new ATOM 0 HZ1 LYS B 51 24.523 -7.785 -2.738 1.00 5.33 H new ATOM 0 HZ2 LYS B 51 23.446 -6.928 -3.732 1.00 5.33 H new ATOM 0 HZ3 LYS B 51 24.473 -6.089 -2.671 1.00 5.33 H new ATOM 1979 N GLU B 52 19.161 -1.904 -2.199 1.00 4.08 N ATOM 1980 CA GLU B 52 18.132 -0.901 -2.472 1.00 4.05 C ATOM 1981 C GLU B 52 16.977 -1.517 -3.256 1.00 3.71 C ATOM 1982 O GLU B 52 17.186 -2.368 -4.122 1.00 3.93 O ATOM 1983 CB GLU B 52 18.721 0.281 -3.246 1.00 4.59 C ATOM 1984 CG GLU B 52 19.783 1.044 -2.472 1.00 4.83 C ATOM 1985 CD GLU B 52 20.262 2.285 -3.202 1.00 5.32 C ATOM 1986 OE1 GLU B 52 21.189 2.166 -4.030 1.00 5.49 O ATOM 1987 OE2 GLU B 52 19.709 3.375 -2.944 1.00 5.79 O ATOM 0 H GLU B 52 19.626 -2.264 -3.032 1.00 4.08 H new ATOM 0 HA GLU B 52 17.752 -0.537 -1.517 1.00 4.05 H new ATOM 0 HB2 GLU B 52 19.154 -0.084 -4.177 1.00 4.59 H new ATOM 0 HB3 GLU B 52 17.917 0.966 -3.515 1.00 4.59 H new ATOM 0 HG2 GLU B 52 19.382 1.331 -1.500 1.00 4.83 H new ATOM 0 HG3 GLU B 52 20.632 0.387 -2.285 1.00 4.83 H new ATOM 1994 N GLY B 53 15.758 -1.080 -2.943 1.00 3.32 N ATOM 1995 CA GLY B 53 14.583 -1.590 -3.628 1.00 3.12 C ATOM 1996 C GLY B 53 13.334 -0.789 -3.312 1.00 3.18 C ATOM 1997 O GLY B 53 13.391 0.186 -2.560 1.00 3.35 O ATOM 0 H GLY B 53 15.564 -0.381 -2.226 1.00 3.32 H new ATOM 0 HA2 GLY B 53 14.758 -1.575 -4.704 1.00 3.12 H new ATOM 0 HA3 GLY B 53 14.425 -2.631 -3.345 1.00 3.12 H new ATOM 2001 N VAL B 54 12.202 -1.199 -3.887 1.00 3.17 N ATOM 2002 CA VAL B 54 10.940 -0.492 -3.671 1.00 3.38 C ATOM 2003 C VAL B 54 9.926 -1.332 -2.894 1.00 3.02 C ATOM 2004 O VAL B 54 10.068 -2.549 -2.772 1.00 2.70 O ATOM 2005 CB VAL B 54 10.317 -0.052 -5.013 1.00 3.83 C ATOM 2006 CG1 VAL B 54 11.255 0.891 -5.755 1.00 4.30 C ATOM 2007 CG2 VAL B 54 9.984 -1.261 -5.878 1.00 3.70 C ATOM 0 H VAL B 54 12.134 -2.011 -4.501 1.00 3.17 H new ATOM 0 HA VAL B 54 11.180 0.387 -3.073 1.00 3.38 H new ATOM 0 HB VAL B 54 9.390 0.480 -4.798 1.00 3.83 H new ATOM 0 HG11 VAL B 54 10.799 1.190 -6.699 1.00 4.30 H new ATOM 0 HG12 VAL B 54 11.440 1.775 -5.145 1.00 4.30 H new ATOM 0 HG13 VAL B 54 12.199 0.383 -5.954 1.00 4.30 H new ATOM 0 HG21 VAL B 54 9.546 -0.926 -6.818 1.00 3.70 H new ATOM 0 HG22 VAL B 54 10.895 -1.824 -6.082 1.00 3.70 H new ATOM 0 HG23 VAL B 54 9.273 -1.899 -5.353 1.00 3.70 H new ATOM 2017 N PHE B 55 8.900 -0.654 -2.360 1.00 3.13 N ATOM 2018 CA PHE B 55 7.842 -1.323 -1.600 1.00 2.90 C ATOM 2019 C PHE B 55 6.463 -1.010 -2.190 1.00 3.35 C ATOM 2020 O PHE B 55 6.264 0.044 -2.796 1.00 3.72 O ATOM 2021 CB PHE B 55 7.906 -0.917 -0.126 1.00 2.46 C ATOM 2022 CG PHE B 55 8.294 0.518 0.102 1.00 2.71 C ATOM 2023 CD1 PHE B 55 7.332 1.513 0.137 1.00 2.88 C ATOM 2024 CD2 PHE B 55 9.623 0.868 0.292 1.00 3.05 C ATOM 2025 CE1 PHE B 55 7.687 2.830 0.357 1.00 3.20 C ATOM 2026 CE2 PHE B 55 9.983 2.183 0.514 1.00 3.42 C ATOM 2027 CZ PHE B 55 9.014 3.165 0.547 1.00 3.42 C ATOM 0 H PHE B 55 8.783 0.356 -2.442 1.00 3.13 H new ATOM 0 HA PHE B 55 8.000 -2.399 -1.669 1.00 2.90 H new ATOM 0 HB2 PHE B 55 6.933 -1.095 0.331 1.00 2.46 H new ATOM 0 HB3 PHE B 55 8.621 -1.561 0.386 1.00 2.46 H new ATOM 0 HD1 PHE B 55 6.293 1.257 -0.009 1.00 2.88 H new ATOM 0 HD2 PHE B 55 10.385 0.103 0.266 1.00 3.05 H new ATOM 0 HE1 PHE B 55 6.927 3.597 0.380 1.00 3.20 H new ATOM 0 HE2 PHE B 55 11.021 2.442 0.661 1.00 3.42 H new ATOM 0 HZ PHE B 55 9.292 4.194 0.721 1.00 3.42 H new ATOM 2037 N PRO B 56 5.488 -1.926 -2.004 1.00 3.43 N ATOM 2038 CA PRO B 56 4.138 -1.782 -2.568 1.00 3.90 C ATOM 2039 C PRO B 56 3.191 -0.865 -1.794 1.00 3.87 C ATOM 2040 O PRO B 56 2.931 -1.065 -0.609 1.00 3.45 O ATOM 2041 CB PRO B 56 3.609 -3.214 -2.531 1.00 3.97 C ATOM 2042 CG PRO B 56 4.283 -3.838 -1.357 1.00 3.68 C ATOM 2043 CD PRO B 56 5.632 -3.175 -1.233 1.00 3.17 C ATOM 0 HA PRO B 56 4.189 -1.313 -3.551 1.00 3.90 H new ATOM 0 HB2 PRO B 56 2.525 -3.233 -2.421 1.00 3.97 H new ATOM 0 HB3 PRO B 56 3.845 -3.747 -3.452 1.00 3.97 H new ATOM 0 HG2 PRO B 56 3.695 -3.693 -0.451 1.00 3.68 H new ATOM 0 HG3 PRO B 56 4.391 -4.913 -1.499 1.00 3.68 H new ATOM 0 HD2 PRO B 56 5.884 -2.974 -0.192 1.00 3.17 H new ATOM 0 HD3 PRO B 56 6.425 -3.804 -1.637 1.00 3.17 H new ATOM 2051 N ASP B 57 2.686 0.143 -2.499 1.00 4.36 N ATOM 2052 CA ASP B 57 1.719 1.103 -1.960 1.00 4.47 C ATOM 2053 C ASP B 57 2.140 1.729 -0.630 1.00 4.41 C ATOM 2054 O ASP B 57 1.326 1.833 0.289 1.00 4.40 O ATOM 2055 CB ASP B 57 0.281 0.577 -1.956 1.00 5.09 C ATOM 2056 CG ASP B 57 0.138 -0.727 -1.191 1.00 5.56 C ATOM 2057 OD1 ASP B 57 0.293 -1.800 -1.812 1.00 5.83 O ATOM 2058 OD2 ASP B 57 -0.126 -0.674 0.028 1.00 5.85 O ATOM 0 H ASP B 57 2.937 0.321 -3.471 1.00 4.36 H new ATOM 0 HA ASP B 57 1.724 1.931 -2.669 1.00 4.47 H new ATOM 0 HB2 ASP B 57 -0.375 1.327 -1.514 1.00 5.09 H new ATOM 0 HB3 ASP B 57 -0.051 0.429 -2.984 1.00 5.09 H new ATOM 2063 N ASN B 58 3.388 2.138 -0.518 1.00 4.46 N ATOM 2064 CA ASN B 58 3.906 2.773 0.692 1.00 4.51 C ATOM 2065 C ASN B 58 3.817 1.898 1.945 1.00 3.97 C ATOM 2066 O ASN B 58 2.797 1.881 2.638 1.00 4.05 O ATOM 2067 CB ASN B 58 3.190 4.104 0.935 1.00 4.96 C ATOM 2068 CG ASN B 58 3.416 5.099 -0.189 1.00 5.23 C ATOM 2069 OD1 ASN B 58 4.470 5.106 -0.826 1.00 5.40 O ATOM 2070 ND2 ASN B 58 2.424 5.945 -0.438 1.00 5.67 N ATOM 0 H ASN B 58 4.079 2.042 -1.262 1.00 4.46 H new ATOM 0 HA ASN B 58 4.968 2.938 0.512 1.00 4.51 H new ATOM 0 HB2 ASN B 58 2.121 3.923 1.046 1.00 4.96 H new ATOM 0 HB3 ASN B 58 3.539 4.535 1.873 1.00 4.96 H new ATOM 0 HD21 ASN B 58 2.518 6.636 -1.182 1.00 5.67 H new ATOM 0 HD22 ASN B 58 1.568 5.904 0.115 1.00 5.67 H new ATOM 2077 N PHE B 59 4.897 1.170 2.216 1.00 3.50 N ATOM 2078 CA PHE B 59 4.994 0.337 3.414 1.00 3.01 C ATOM 2079 C PHE B 59 5.884 1.043 4.430 1.00 2.75 C ATOM 2080 O PHE B 59 6.347 0.426 5.391 1.00 2.44 O ATOM 2081 CB PHE B 59 5.578 -1.038 3.067 1.00 2.72 C ATOM 2082 CG PHE B 59 4.536 -2.095 2.823 1.00 3.03 C ATOM 2083 CD1 PHE B 59 3.422 -1.826 2.045 1.00 3.42 C ATOM 2084 CD2 PHE B 59 4.672 -3.360 3.375 1.00 3.42 C ATOM 2085 CE1 PHE B 59 2.464 -2.796 1.821 1.00 3.79 C ATOM 2086 CE2 PHE B 59 3.718 -4.334 3.155 1.00 3.86 C ATOM 2087 CZ PHE B 59 2.612 -4.051 2.376 1.00 3.89 C ATOM 0 H PHE B 59 5.723 1.140 1.618 1.00 3.50 H new ATOM 0 HA PHE B 59 3.999 0.186 3.833 1.00 3.01 H new ATOM 0 HB2 PHE B 59 6.202 -0.944 2.178 1.00 2.72 H new ATOM 0 HB3 PHE B 59 6.228 -1.362 3.880 1.00 2.72 H new ATOM 0 HD1 PHE B 59 3.301 -0.846 1.608 1.00 3.42 H new ATOM 0 HD2 PHE B 59 5.535 -3.586 3.984 1.00 3.42 H new ATOM 0 HE1 PHE B 59 1.600 -2.572 1.212 1.00 3.79 H new ATOM 0 HE2 PHE B 59 3.836 -5.315 3.591 1.00 3.86 H new ATOM 0 HZ PHE B 59 1.865 -4.811 2.202 1.00 3.89 H new ATOM 2097 N ALA B 60 6.117 2.338 4.223 1.00 3.02 N ATOM 2098 CA ALA B 60 6.959 3.110 5.128 1.00 3.01 C ATOM 2099 C ALA B 60 6.441 4.532 5.316 1.00 3.51 C ATOM 2100 O ALA B 60 6.013 5.175 4.356 1.00 3.89 O ATOM 2101 CB ALA B 60 8.386 3.140 4.603 1.00 2.92 C ATOM 0 H ALA B 60 5.736 2.870 3.441 1.00 3.02 H new ATOM 0 HA ALA B 60 6.935 2.622 6.102 1.00 3.01 H new ATOM 0 HB1 ALA B 60 9.012 3.718 5.283 1.00 2.92 H new ATOM 0 HB2 ALA B 60 8.770 2.122 4.534 1.00 2.92 H new ATOM 0 HB3 ALA B 60 8.401 3.601 3.615 1.00 2.92 H new ATOM 2107 N VAL B 61 6.483 5.018 6.556 1.00 3.59 N ATOM 2108 CA VAL B 61 6.008 6.363 6.871 1.00 4.08 C ATOM 2109 C VAL B 61 7.159 7.283 7.264 1.00 4.32 C ATOM 2110 O VAL B 61 7.862 7.018 8.239 1.00 4.19 O ATOM 2111 CB VAL B 61 4.958 6.337 8.006 1.00 4.13 C ATOM 2112 CG1 VAL B 61 5.498 5.616 9.236 1.00 3.91 C ATOM 2113 CG2 VAL B 61 4.512 7.750 8.361 1.00 4.64 C ATOM 0 H VAL B 61 6.841 4.500 7.358 1.00 3.59 H new ATOM 0 HA VAL B 61 5.541 6.753 5.967 1.00 4.08 H new ATOM 0 HB VAL B 61 4.090 5.784 7.647 1.00 4.13 H new ATOM 0 HG11 VAL B 61 4.739 5.613 10.018 1.00 3.91 H new ATOM 0 HG12 VAL B 61 5.753 4.589 8.973 1.00 3.91 H new ATOM 0 HG13 VAL B 61 6.389 6.130 9.597 1.00 3.91 H new ATOM 0 HG21 VAL B 61 3.773 7.708 9.161 1.00 4.64 H new ATOM 0 HG22 VAL B 61 5.373 8.331 8.692 1.00 4.64 H new ATOM 0 HG23 VAL B 61 4.070 8.223 7.484 1.00 4.64 H new ATOM 2123 N GLN B 62 7.358 8.364 6.503 1.00 4.79 N ATOM 2124 CA GLN B 62 8.430 9.310 6.799 1.00 5.14 C ATOM 2125 C GLN B 62 8.325 9.808 8.238 1.00 5.36 C ATOM 2126 O GLN B 62 7.454 10.615 8.565 1.00 5.56 O ATOM 2127 CB GLN B 62 8.397 10.491 5.825 1.00 5.63 C ATOM 2128 CG GLN B 62 9.552 11.465 6.012 1.00 6.02 C ATOM 2129 CD GLN B 62 9.573 12.565 4.967 1.00 6.30 C ATOM 2130 OE1 GLN B 62 8.532 12.969 4.449 1.00 6.28 O ATOM 2131 NE2 GLN B 62 10.767 13.057 4.652 1.00 6.72 N ATOM 0 H GLN B 62 6.795 8.601 5.686 1.00 4.79 H new ATOM 0 HA GLN B 62 9.381 8.791 6.679 1.00 5.14 H new ATOM 0 HB2 GLN B 62 8.415 10.110 4.804 1.00 5.63 H new ATOM 0 HB3 GLN B 62 7.456 11.027 5.949 1.00 5.63 H new ATOM 0 HG2 GLN B 62 9.485 11.914 7.003 1.00 6.02 H new ATOM 0 HG3 GLN B 62 10.493 10.916 5.973 1.00 6.02 H new ATOM 0 HE21 GLN B 62 11.605 12.693 5.106 1.00 6.72 H new ATOM 0 HE22 GLN B 62 10.846 13.799 3.956 1.00 6.72 H new ATOM 2140 N ILE B 63 9.216 9.313 9.094 1.00 5.39 N ATOM 2141 CA ILE B 63 9.236 9.708 10.498 1.00 5.68 C ATOM 2142 C ILE B 63 10.070 10.971 10.692 1.00 6.23 C ATOM 2143 O ILE B 63 9.806 11.769 11.592 1.00 6.54 O ATOM 2144 CB ILE B 63 9.799 8.584 11.396 1.00 5.55 C ATOM 2145 CG1 ILE B 63 11.208 8.185 10.941 1.00 5.23 C ATOM 2146 CG2 ILE B 63 8.867 7.379 11.384 1.00 5.71 C ATOM 2147 CD1 ILE B 63 11.853 7.130 11.815 1.00 5.25 C ATOM 0 H ILE B 63 9.935 8.636 8.838 1.00 5.39 H new ATOM 0 HA ILE B 63 8.204 9.904 10.790 1.00 5.68 H new ATOM 0 HB ILE B 63 9.865 8.957 12.418 1.00 5.55 H new ATOM 0 HG12 ILE B 63 11.159 7.815 9.917 1.00 5.23 H new ATOM 0 HG13 ILE B 63 11.841 9.072 10.930 1.00 5.23 H new ATOM 0 HG21 ILE B 63 9.277 6.595 12.021 1.00 5.71 H new ATOM 0 HG22 ILE B 63 7.886 7.674 11.757 1.00 5.71 H new ATOM 0 HG23 ILE B 63 8.770 7.004 10.365 1.00 5.71 H new ATOM 0 HD11 ILE B 63 12.847 6.898 11.432 1.00 5.25 H new ATOM 0 HD12 ILE B 63 11.935 7.504 12.836 1.00 5.25 H new ATOM 0 HD13 ILE B 63 11.242 6.228 11.807 1.00 5.25 H new ATOM 2159 N SER B 64 11.078 11.142 9.838 1.00 6.41 N ATOM 2160 CA SER B 64 11.957 12.305 9.903 1.00 6.97 C ATOM 2161 C SER B 64 11.650 13.278 8.766 1.00 7.20 C ATOM 2162 O SER B 64 11.063 14.344 9.043 1.00 7.43 O ATOM 2163 CB SER B 64 13.423 11.866 9.843 1.00 7.23 C ATOM 2164 OG SER B 64 13.732 10.973 10.899 1.00 7.19 O ATOM 2165 OXT SER B 64 11.992 12.962 7.606 1.00 7.37 O ATOM 0 H SER B 64 11.306 10.486 9.091 1.00 6.41 H new ATOM 0 HA SER B 64 11.781 12.816 10.850 1.00 6.97 H new ATOM 0 HB2 SER B 64 13.623 11.385 8.886 1.00 7.23 H new ATOM 0 HB3 SER B 64 14.070 12.741 9.901 1.00 7.23 H new ATOM 0 HG SER B 64 14.619 10.583 10.749 1.00 7.19 H new TER 2171 SER B 64