USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 60 ASN : amide:sc= 0.806 K(o=2,f=-2.5!) USER MOD Set 1.2: A 62 GLN : amide:sc= 1.15 K(o=2,f=-0.54) USER MOD Set 2.1: A 25 ASN : amide:sc= 0.713 K(o=1,f=-7.5!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -119:sc= 0.333 (180deg=-0.161) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 176:sc= 0.785 (180deg=-0.0252) USER MOD Set 3.2: A 12 THR OG1 : rot 121:sc= 0.726 USER MOD Single : A 1 MET CE :methyl 162:sc= 0 (180deg=-0.27) USER MOD Single : A 1 MET N :NH3+ 172:sc= 1.23 (180deg=1.15) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 7 THR OG1 : rot -69:sc= 0.329 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0862 USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 1.29 (180deg=1.22) USER MOD Single : A 14 THR OG1 : rot -53:sc= 0.942 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.196 USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= 0.956 (180deg=0.0798) USER MOD Single : A 31 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 41 GLN : amide:sc= -0.22 K(o=-0.22,f=-3.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0384 USER MOD Single : A 57 SER OG : rot 71:sc= 1.05 USER MOD Single : A 59 TYR OH : rot 60:sc= -0.176 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc= 0.328 USER MOD Single : A 66 THR OG1 : rot 170:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.397 4.381 -1.154 1.00 9.67 N ATOM 2 CA MET A 1 -12.882 4.728 0.190 1.00 10.38 C ATOM 3 C MET A 1 -11.493 5.266 0.214 1.00 9.62 C ATOM 4 O MET A 1 -10.767 5.254 -0.779 1.00 9.62 O ATOM 5 CB MET A 1 -13.095 3.559 1.166 1.00 13.77 C ATOM 6 CG MET A 1 -12.193 2.326 1.068 1.00 16.29 C ATOM 7 SD MET A 1 -10.693 2.334 2.096 1.00 17.17 S ATOM 8 CE MET A 1 -10.301 0.591 1.768 1.00 16.11 C ATOM 0 H1 MET A 1 -14.310 3.892 -1.060 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.525 5.249 -1.712 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.718 3.757 -1.635 1.00 9.67 H new ATOM 0 HA MET A 1 -13.478 5.574 0.533 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.999 3.955 2.177 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.125 3.221 1.052 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.784 1.449 1.333 1.00 16.29 H new ATOM 0 HG3 MET A 1 -11.893 2.205 0.027 1.00 16.29 H new ATOM 0 HE1 MET A 1 -9.257 0.400 2.017 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.942 -0.047 2.377 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.469 0.373 0.713 1.00 16.11 H new ATOM 20 N GLN A 2 -11.017 5.767 1.368 1.00 9.27 N ATOM 21 CA GLN A 2 -9.737 6.402 1.440 1.00 9.07 C ATOM 22 C GLN A 2 -8.800 5.593 2.269 1.00 8.72 C ATOM 23 O GLN A 2 -9.173 5.074 3.320 1.00 8.22 O ATOM 24 CB GLN A 2 -10.013 7.806 2.003 1.00 14.46 C ATOM 25 CG GLN A 2 -10.533 8.797 0.960 1.00 17.01 C ATOM 26 CD GLN A 2 -10.578 10.273 1.329 1.00 20.10 C ATOM 27 OE1 GLN A 2 -10.027 10.575 2.535 1.00 21.89 O flip ATOM 28 NE2 GLN A 2 -11.153 11.129 0.659 1.00 19.49 N flip ATOM 0 H GLN A 2 -11.520 5.732 2.254 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.243 6.484 0.472 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.741 7.727 2.810 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.095 8.200 2.439 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.915 8.696 0.068 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.543 8.492 0.685 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -11.560 10.882 -0.243 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -11.223 12.086 1.006 1.00 19.49 H new ATOM 37 N ILE A 3 -7.502 5.580 1.917 1.00 5.87 N ATOM 38 CA ILE A 3 -6.509 4.954 2.734 1.00 5.07 C ATOM 39 C ILE A 3 -5.446 5.974 2.956 1.00 4.01 C ATOM 40 O ILE A 3 -5.331 6.856 2.107 1.00 4.61 O ATOM 41 CB ILE A 3 -5.904 3.646 2.315 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.474 3.651 0.839 1.00 4.72 C ATOM 43 CG2 ILE A 3 -6.759 2.409 2.634 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.387 2.634 0.492 1.00 10.83 C ATOM 0 H ILE A 3 -7.139 6.005 1.064 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.047 4.635 3.627 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.013 3.554 2.936 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.348 3.455 0.218 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.117 4.648 0.581 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.241 1.512 2.295 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -6.924 2.348 3.710 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -7.719 2.489 2.124 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.145 2.707 -0.568 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.494 2.840 1.083 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -4.745 1.629 0.714 1.00 10.83 H new ATOM 56 N PHE A 4 -4.639 5.948 4.032 1.00 4.55 N ATOM 57 CA PHE A 4 -3.643 6.922 4.354 1.00 4.68 C ATOM 58 C PHE A 4 -2.333 6.212 4.383 1.00 5.30 C ATOM 59 O PHE A 4 -2.160 5.305 5.196 1.00 5.58 O ATOM 60 CB PHE A 4 -3.808 7.496 5.772 1.00 4.83 C ATOM 61 CG PHE A 4 -4.949 8.446 5.643 1.00 7.97 C ATOM 62 CD1 PHE A 4 -4.623 9.705 5.198 1.00 8.34 C ATOM 63 CD2 PHE A 4 -6.199 8.231 6.174 1.00 6.69 C ATOM 64 CE1 PHE A 4 -5.634 10.622 5.032 1.00 10.61 C ATOM 65 CE2 PHE A 4 -7.216 9.145 6.025 1.00 9.10 C ATOM 66 CZ PHE A 4 -6.922 10.348 5.428 1.00 8.90 C ATOM 0 H PHE A 4 -4.686 5.197 4.721 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.720 7.725 3.621 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.021 6.712 6.498 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.902 8.002 6.106 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -3.598 9.968 4.984 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -6.387 7.320 6.723 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -5.412 11.578 4.581 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -8.216 8.924 6.367 1.00 9.10 H new ATOM 0 HZ PHE A 4 -7.702 11.078 5.270 1.00 8.90 H new ATOM 76 N VAL A 5 -1.373 6.517 3.493 1.00 4.44 N ATOM 77 CA VAL A 5 -0.093 5.880 3.455 1.00 3.87 C ATOM 78 C VAL A 5 1.008 6.728 3.992 1.00 4.93 C ATOM 79 O VAL A 5 1.381 7.719 3.367 1.00 6.84 O ATOM 80 CB VAL A 5 0.272 5.415 2.076 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.642 4.764 1.822 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.691 4.424 1.401 1.00 9.13 C ATOM 0 H VAL A 5 -1.491 7.232 2.775 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.200 5.014 4.109 1.00 3.87 H new ATOM 0 HB VAL A 5 0.244 6.421 1.658 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.727 4.493 0.770 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.433 5.468 2.080 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.739 3.869 2.436 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.314 4.167 0.411 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.767 3.521 2.006 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.676 4.881 1.307 1.00 9.13 H new ATOM 92 N LYS A 6 1.510 6.399 5.196 1.00 6.04 N ATOM 93 CA LYS A 6 2.619 7.041 5.830 1.00 6.12 C ATOM 94 C LYS A 6 3.909 6.480 5.338 1.00 6.57 C ATOM 95 O LYS A 6 4.319 5.322 5.406 1.00 5.76 O ATOM 96 CB LYS A 6 2.657 7.027 7.367 1.00 7.45 C ATOM 97 CG LYS A 6 1.305 7.347 8.008 1.00 11.12 C ATOM 98 CD LYS A 6 1.364 7.479 9.531 1.00 14.54 C ATOM 99 CE LYS A 6 2.142 8.710 9.999 1.00 18.84 C ATOM 100 NZ LYS A 6 1.455 9.980 9.671 1.00 20.55 N ATOM 0 H LYS A 6 1.119 5.642 5.758 1.00 6.04 H new ATOM 0 HA LYS A 6 2.476 8.084 5.548 1.00 6.12 H new ATOM 0 HB2 LYS A 6 2.989 6.046 7.707 1.00 7.45 H new ATOM 0 HB3 LYS A 6 3.395 7.751 7.712 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.923 8.277 7.586 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.594 6.563 7.747 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.349 7.527 9.925 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.826 6.585 9.949 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.293 8.651 11.077 1.00 18.84 H new ATOM 0 HE3 LYS A 6 3.130 8.707 9.539 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.991 10.777 10.069 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.394 10.085 8.638 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.497 9.971 10.075 1.00 20.55 H new ATOM 114 N THR A 7 4.594 7.351 4.576 1.00 7.41 N ATOM 115 CA THR A 7 5.769 7.201 3.775 1.00 7.48 C ATOM 116 C THR A 7 7.019 7.095 4.579 1.00 8.75 C ATOM 117 O THR A 7 6.912 7.022 5.802 1.00 8.58 O ATOM 118 CB THR A 7 5.927 8.167 2.639 1.00 9.61 C ATOM 119 OG1 THR A 7 6.326 9.493 2.955 1.00 11.78 O ATOM 120 CG2 THR A 7 4.652 8.167 1.779 1.00 9.17 C ATOM 0 H THR A 7 4.263 8.314 4.518 1.00 7.41 H new ATOM 0 HA THR A 7 5.595 6.240 3.290 1.00 7.48 H new ATOM 0 HB THR A 7 6.786 7.787 2.086 1.00 9.61 H new ATOM 0 HG1 THR A 7 5.599 9.950 3.427 1.00 11.78 H new ATOM 0 HG21 THR A 7 4.769 8.870 0.954 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.481 7.166 1.382 1.00 9.17 H new ATOM 0 HG23 THR A 7 3.800 8.465 2.391 1.00 9.17 H new ATOM 128 N LEU A 8 8.168 6.886 3.911 1.00 9.84 N ATOM 129 CA LEU A 8 9.401 6.577 4.566 1.00 14.15 C ATOM 130 C LEU A 8 10.004 7.708 5.326 1.00 17.37 C ATOM 131 O LEU A 8 10.329 7.664 6.512 1.00 17.01 O ATOM 132 CB LEU A 8 10.411 6.057 3.530 1.00 16.63 C ATOM 133 CG LEU A 8 11.786 5.541 3.986 1.00 18.88 C ATOM 134 CD1 LEU A 8 11.793 4.711 5.281 1.00 18.59 C ATOM 135 CD2 LEU A 8 12.580 4.798 2.898 1.00 19.31 C ATOM 0 H LEU A 8 8.242 6.933 2.895 1.00 9.84 H new ATOM 0 HA LEU A 8 9.163 5.816 5.309 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.927 5.248 2.983 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.588 6.863 2.817 1.00 16.63 H new ATOM 0 HG LEU A 8 12.296 6.479 4.207 1.00 18.88 H new ATOM 0 HD11 LEU A 8 12.813 4.399 5.508 1.00 18.59 H new ATOM 0 HD12 LEU A 8 11.407 5.315 6.102 1.00 18.59 H new ATOM 0 HD13 LEU A 8 11.165 3.830 5.152 1.00 18.59 H new ATOM 0 HD21 LEU A 8 13.536 4.469 3.306 1.00 19.31 H new ATOM 0 HD22 LEU A 8 12.012 3.931 2.561 1.00 19.31 H new ATOM 0 HD23 LEU A 8 12.756 5.467 2.055 1.00 19.31 H new ATOM 147 N THR A 9 10.051 8.881 4.670 1.00 18.33 N ATOM 148 CA THR A 9 10.549 10.146 5.114 1.00 19.24 C ATOM 149 C THR A 9 9.578 10.751 6.069 1.00 19.48 C ATOM 150 O THR A 9 9.763 10.482 7.255 1.00 23.14 O ATOM 151 CB THR A 9 10.940 11.095 4.021 1.00 18.97 C ATOM 152 OG1 THR A 9 9.940 11.533 3.113 1.00 20.24 O ATOM 153 CG2 THR A 9 12.003 10.364 3.184 1.00 19.70 C ATOM 0 H THR A 9 9.697 8.946 3.716 1.00 18.33 H new ATOM 0 HA THR A 9 11.493 9.949 5.623 1.00 19.24 H new ATOM 0 HB THR A 9 11.251 12.003 4.537 1.00 18.97 H new ATOM 0 HG1 THR A 9 10.337 12.146 2.460 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.329 11.008 2.367 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.857 10.118 3.815 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.577 9.447 2.775 1.00 19.70 H new ATOM 161 N GLY A 10 8.599 11.573 5.652 1.00 19.43 N ATOM 162 CA GLY A 10 7.752 12.229 6.599 1.00 18.74 C ATOM 163 C GLY A 10 6.489 12.750 6.004 1.00 17.62 C ATOM 164 O GLY A 10 5.897 13.744 6.421 1.00 19.74 O ATOM 0 H GLY A 10 8.395 11.782 4.675 1.00 19.43 H new ATOM 0 HA2 GLY A 10 7.507 11.531 7.400 1.00 18.74 H new ATOM 0 HA3 GLY A 10 8.299 13.056 7.053 1.00 18.74 H new ATOM 168 N LYS A 11 5.914 12.072 4.995 1.00 13.56 N ATOM 169 CA LYS A 11 4.681 12.494 4.405 1.00 11.91 C ATOM 170 C LYS A 11 3.586 11.484 4.439 1.00 10.18 C ATOM 171 O LYS A 11 3.850 10.286 4.346 1.00 9.10 O ATOM 172 CB LYS A 11 4.931 12.689 2.900 1.00 13.43 C ATOM 173 CG LYS A 11 3.887 13.439 2.070 1.00 16.69 C ATOM 174 CD LYS A 11 4.289 13.471 0.595 1.00 17.92 C ATOM 175 CE LYS A 11 3.219 14.126 -0.282 1.00 20.81 C ATOM 176 NZ LYS A 11 3.626 14.358 -1.686 1.00 21.93 N ATOM 0 H LYS A 11 6.307 11.225 4.585 1.00 13.56 H new ATOM 0 HA LYS A 11 4.379 13.375 4.971 1.00 11.91 H new ATOM 0 HB2 LYS A 11 5.880 13.213 2.788 1.00 13.43 H new ATOM 0 HB3 LYS A 11 5.058 11.702 2.456 1.00 13.43 H new ATOM 0 HG2 LYS A 11 2.916 12.956 2.177 1.00 16.69 H new ATOM 0 HG3 LYS A 11 3.780 14.457 2.445 1.00 16.69 H new ATOM 0 HD2 LYS A 11 5.227 14.015 0.488 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.469 12.454 0.247 1.00 17.92 H new ATOM 0 HE2 LYS A 11 2.329 13.497 -0.275 1.00 20.81 H new ATOM 0 HE3 LYS A 11 2.938 15.081 0.163 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 2.784 14.561 -2.262 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 4.278 15.167 -1.729 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 4.101 13.510 -2.054 1.00 21.93 H new ATOM 190 N THR A 12 2.318 11.873 4.661 1.00 9.63 N ATOM 191 CA THR A 12 1.194 11.001 4.514 1.00 9.85 C ATOM 192 C THR A 12 0.371 11.368 3.328 1.00 11.66 C ATOM 193 O THR A 12 0.015 12.521 3.087 1.00 12.33 O ATOM 194 CB THR A 12 0.315 10.875 5.722 1.00 10.85 C ATOM 195 OG1 THR A 12 1.098 10.697 6.893 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.545 9.604 5.622 1.00 9.63 C ATOM 0 H THR A 12 2.067 12.818 4.950 1.00 9.63 H new ATOM 0 HA THR A 12 1.643 10.018 4.371 1.00 9.85 H new ATOM 0 HB THR A 12 -0.289 11.781 5.770 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.910 11.422 7.526 1.00 10.91 H new ATOM 0 HG21 THR A 12 -1.179 9.523 6.505 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.170 9.657 4.730 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.103 8.730 5.560 1.00 9.63 H new ATOM 204 N ILE A 13 0.187 10.386 2.428 1.00 10.42 N ATOM 205 CA ILE A 13 -0.595 10.553 1.242 1.00 11.84 C ATOM 206 C ILE A 13 -1.946 9.950 1.417 1.00 10.55 C ATOM 207 O ILE A 13 -2.039 8.965 2.147 1.00 11.92 O ATOM 208 CB ILE A 13 0.251 10.083 0.096 1.00 14.86 C ATOM 209 CG1 ILE A 13 0.728 8.625 0.212 1.00 14.87 C ATOM 210 CG2 ILE A 13 1.395 11.098 -0.063 1.00 17.08 C ATOM 211 CD1 ILE A 13 1.486 8.193 -1.043 1.00 16.46 C ATOM 0 H ILE A 13 0.591 9.454 2.526 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.848 11.589 1.015 1.00 11.84 H new ATOM 0 HB ILE A 13 -0.353 10.051 -0.811 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.372 8.518 1.085 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.129 7.970 0.367 1.00 14.87 H new ATOM 0 HG21 ILE A 13 2.038 10.795 -0.889 1.00 17.08 H new ATOM 0 HG22 ILE A 13 0.980 12.085 -0.270 1.00 17.08 H new ATOM 0 HG23 ILE A 13 1.979 11.135 0.857 1.00 17.08 H new ATOM 0 HD11 ILE A 13 1.811 7.159 -0.933 1.00 16.46 H new ATOM 0 HD12 ILE A 13 0.832 8.278 -1.911 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.356 8.834 -1.181 1.00 16.46 H new ATOM 223 N THR A 14 -2.985 10.565 0.823 1.00 9.39 N ATOM 224 CA THR A 14 -4.336 10.098 0.815 1.00 9.63 C ATOM 225 C THR A 14 -4.617 9.535 -0.536 1.00 11.20 C ATOM 226 O THR A 14 -4.598 10.350 -1.457 1.00 11.63 O ATOM 227 CB THR A 14 -5.298 11.209 1.116 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.015 11.824 2.364 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.743 10.699 1.244 1.00 11.66 C ATOM 0 H THR A 14 -2.873 11.443 0.317 1.00 9.39 H new ATOM 0 HA THR A 14 -4.463 9.338 1.586 1.00 9.63 H new ATOM 0 HB THR A 14 -5.190 11.906 0.285 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.964 11.138 3.062 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.406 11.536 1.462 1.00 11.66 H new ATOM 0 HG22 THR A 14 -7.047 10.229 0.309 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.801 9.970 2.052 1.00 11.66 H new ATOM 237 N LEU A 15 -4.859 8.215 -0.621 1.00 8.29 N ATOM 238 CA LEU A 15 -5.221 7.595 -1.858 1.00 9.03 C ATOM 239 C LEU A 15 -6.672 7.284 -1.730 1.00 8.59 C ATOM 240 O LEU A 15 -7.285 7.101 -0.679 1.00 7.79 O ATOM 241 CB LEU A 15 -4.628 6.182 -1.993 1.00 11.08 C ATOM 242 CG LEU A 15 -3.093 6.235 -2.078 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.547 4.798 -2.058 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.589 7.026 -3.297 1.00 15.88 C ATOM 0 H LEU A 15 -4.804 7.574 0.171 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.905 8.249 -2.671 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.928 5.575 -1.139 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -5.029 5.699 -2.884 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.716 6.779 -1.212 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.459 4.821 -2.118 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.849 4.307 -1.133 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.945 4.246 -2.909 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -1.499 7.029 -3.304 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.956 6.559 -4.211 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.954 8.052 -3.242 1.00 15.88 H new ATOM 256 N GLU A 16 -7.287 7.132 -2.916 1.00 11.04 N ATOM 257 CA GLU A 16 -8.635 6.698 -3.117 1.00 11.50 C ATOM 258 C GLU A 16 -8.622 5.285 -3.592 1.00 10.13 C ATOM 259 O GLU A 16 -7.883 4.979 -4.526 1.00 9.83 O ATOM 260 CB GLU A 16 -9.120 7.524 -4.320 1.00 17.22 C ATOM 261 CG GLU A 16 -10.612 7.403 -4.639 1.00 23.33 C ATOM 262 CD GLU A 16 -10.972 8.006 -5.988 1.00 26.99 C ATOM 263 OE1 GLU A 16 -11.055 9.253 -6.151 1.00 28.86 O ATOM 264 OE2 GLU A 16 -11.116 7.279 -7.007 1.00 28.90 O ATOM 0 H GLU A 16 -6.808 7.326 -3.796 1.00 11.04 H new ATOM 0 HA GLU A 16 -9.234 6.799 -2.212 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.889 8.573 -4.136 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -8.552 7.222 -5.200 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -10.898 6.351 -4.627 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -11.188 7.899 -3.858 1.00 23.33 H new ATOM 271 N VAL A 17 -9.255 4.327 -2.892 1.00 8.99 N ATOM 272 CA VAL A 17 -9.231 2.972 -3.346 1.00 8.85 C ATOM 273 C VAL A 17 -10.577 2.388 -3.085 1.00 8.04 C ATOM 274 O VAL A 17 -11.334 2.840 -2.227 1.00 8.99 O ATOM 275 CB VAL A 17 -8.325 2.012 -2.634 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.857 2.298 -2.992 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.423 2.070 -1.100 1.00 10.54 C ATOM 0 H VAL A 17 -9.774 4.485 -2.028 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.894 3.062 -4.379 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.652 1.026 -2.965 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -6.211 1.594 -2.468 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.717 2.188 -4.067 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.601 3.315 -2.695 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.736 1.345 -0.664 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.161 3.071 -0.756 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.442 1.836 -0.791 1.00 10.54 H new ATOM 287 N GLU A 18 -10.979 1.357 -3.849 1.00 7.29 N ATOM 288 CA GLU A 18 -12.123 0.579 -3.488 1.00 7.08 C ATOM 289 C GLU A 18 -11.642 -0.507 -2.587 1.00 6.45 C ATOM 290 O GLU A 18 -10.457 -0.826 -2.657 1.00 5.28 O ATOM 291 CB GLU A 18 -12.804 0.042 -4.758 1.00 10.28 C ATOM 292 CG GLU A 18 -13.510 1.113 -5.593 1.00 12.65 C ATOM 293 CD GLU A 18 -14.233 0.514 -6.791 1.00 14.15 C ATOM 294 OE1 GLU A 18 -15.430 0.122 -6.757 1.00 14.33 O ATOM 295 OE2 GLU A 18 -13.535 0.477 -7.839 1.00 18.17 O ATOM 0 H GLU A 18 -10.517 1.064 -4.710 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.875 1.169 -2.964 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -12.055 -0.450 -5.378 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.531 -0.718 -4.473 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -14.225 1.648 -4.968 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -12.779 1.844 -5.938 1.00 12.65 H new ATOM 302 N PRO A 19 -12.436 -1.127 -1.765 1.00 7.24 N ATOM 303 CA PRO A 19 -11.978 -2.250 -1.000 1.00 7.07 C ATOM 304 C PRO A 19 -11.891 -3.541 -1.738 1.00 6.65 C ATOM 305 O PRO A 19 -11.390 -4.496 -1.148 1.00 6.37 O ATOM 306 CB PRO A 19 -13.087 -2.409 0.038 1.00 7.61 C ATOM 307 CG PRO A 19 -14.332 -2.023 -0.778 1.00 8.16 C ATOM 308 CD PRO A 19 -13.841 -0.801 -1.569 1.00 7.49 C ATOM 0 HA PRO A 19 -10.967 -2.058 -0.642 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.147 -3.428 0.420 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.941 -1.754 0.897 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.653 -2.831 -1.436 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -15.179 -1.779 -0.137 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.371 -0.685 -2.514 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.973 0.127 -1.013 1.00 7.49 H new ATOM 316 N SER A 20 -12.278 -3.535 -3.027 1.00 6.80 N ATOM 317 CA SER A 20 -12.114 -4.681 -3.866 1.00 6.28 C ATOM 318 C SER A 20 -10.827 -4.895 -4.585 1.00 8.45 C ATOM 319 O SER A 20 -10.540 -6.021 -4.989 1.00 7.26 O ATOM 320 CB SER A 20 -13.261 -4.888 -4.870 1.00 8.57 C ATOM 321 OG SER A 20 -14.478 -4.941 -4.141 1.00 11.13 O ATOM 0 H SER A 20 -12.706 -2.733 -3.489 1.00 6.80 H new ATOM 0 HA SER A 20 -12.119 -5.433 -3.077 1.00 6.28 H new ATOM 0 HB2 SER A 20 -13.286 -4.073 -5.594 1.00 8.57 H new ATOM 0 HB3 SER A 20 -13.113 -5.810 -5.433 1.00 8.57 H new ATOM 0 HG SER A 20 -15.225 -5.071 -4.761 1.00 11.13 H new ATOM 327 N ASP A 21 -9.977 -3.860 -4.706 1.00 7.50 N ATOM 328 CA ASP A 21 -8.746 -3.790 -5.429 1.00 7.70 C ATOM 329 C ASP A 21 -7.649 -4.335 -4.582 1.00 7.08 C ATOM 330 O ASP A 21 -7.754 -4.597 -3.384 1.00 8.11 O ATOM 331 CB ASP A 21 -8.472 -2.341 -5.864 1.00 11.00 C ATOM 332 CG ASP A 21 -9.175 -1.980 -7.165 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.875 -2.717 -8.142 1.00 18.03 O ATOM 334 OD2 ASP A 21 -9.922 -0.968 -7.224 1.00 14.36 O ATOM 0 H ASP A 21 -10.179 -2.974 -4.243 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.807 -4.393 -6.335 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -8.799 -1.661 -5.077 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -7.398 -2.198 -5.983 1.00 11.00 H new ATOM 339 N THR A 22 -6.451 -4.539 -5.159 1.00 5.37 N ATOM 340 CA THR A 22 -5.316 -5.177 -4.568 1.00 6.01 C ATOM 341 C THR A 22 -4.353 -4.295 -3.850 1.00 8.01 C ATOM 342 O THR A 22 -4.594 -3.106 -3.649 1.00 8.11 O ATOM 343 CB THR A 22 -4.507 -5.913 -5.595 1.00 8.92 C ATOM 344 OG1 THR A 22 -4.120 -5.065 -6.666 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.346 -7.069 -6.166 1.00 9.65 C ATOM 0 H THR A 22 -6.263 -4.233 -6.114 1.00 5.37 H new ATOM 0 HA THR A 22 -5.784 -5.831 -3.832 1.00 6.01 H new ATOM 0 HB THR A 22 -3.607 -6.286 -5.106 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.735 -5.605 -7.388 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.763 -7.607 -6.913 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.622 -7.750 -5.361 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.248 -6.670 -6.629 1.00 9.65 H new ATOM 353 N ILE A 23 -3.218 -4.775 -3.311 1.00 8.32 N ATOM 354 CA ILE A 23 -2.156 -4.034 -2.704 1.00 9.92 C ATOM 355 C ILE A 23 -1.248 -3.536 -3.775 1.00 10.01 C ATOM 356 O ILE A 23 -0.507 -2.558 -3.687 1.00 8.71 O ATOM 357 CB ILE A 23 -1.425 -4.909 -1.731 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.290 -5.530 -0.622 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.269 -4.072 -1.158 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.407 -4.626 -0.100 1.00 12.30 C ATOM 0 H ILE A 23 -3.028 -5.777 -3.300 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.551 -3.180 -2.154 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.064 -5.785 -2.269 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.734 -6.451 -0.999 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.644 -5.805 0.212 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.294 -4.671 -0.442 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.391 -3.760 -1.968 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.671 -3.191 -0.658 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.963 -5.148 0.679 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.975 -3.714 0.312 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -4.081 -4.371 -0.918 1.00 12.30 H new ATOM 372 N GLU A 24 -1.327 -4.165 -4.961 1.00 9.54 N ATOM 373 CA GLU A 24 -0.565 -3.808 -6.117 1.00 11.81 C ATOM 374 C GLU A 24 -1.134 -2.537 -6.648 1.00 11.14 C ATOM 375 O GLU A 24 -0.340 -1.670 -7.010 1.00 10.62 O ATOM 376 CB GLU A 24 -0.647 -4.970 -7.121 1.00 19.24 C ATOM 377 CG GLU A 24 0.522 -4.983 -8.108 1.00 27.76 C ATOM 378 CD GLU A 24 0.268 -5.925 -9.276 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.852 -5.857 -9.848 1.00 36.51 O ATOM 380 OE2 GLU A 24 1.241 -6.598 -9.710 1.00 34.80 O ATOM 0 H GLU A 24 -1.949 -4.957 -5.121 1.00 9.54 H new ATOM 0 HA GLU A 24 0.490 -3.642 -5.898 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.668 -5.914 -6.577 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.583 -4.901 -7.675 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.690 -3.974 -8.485 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.432 -5.285 -7.589 1.00 27.76 H new ATOM 387 N ASN A 25 -2.472 -2.409 -6.693 1.00 9.43 N ATOM 388 CA ASN A 25 -3.197 -1.232 -7.060 1.00 10.96 C ATOM 389 C ASN A 25 -2.787 -0.063 -6.233 1.00 9.68 C ATOM 390 O ASN A 25 -2.895 1.042 -6.763 1.00 9.33 O ATOM 391 CB ASN A 25 -4.682 -1.503 -6.767 1.00 16.78 C ATOM 392 CG ASN A 25 -5.582 -0.398 -7.301 1.00 22.31 C ATOM 393 OD1 ASN A 25 -6.056 0.463 -6.562 1.00 25.66 O ATOM 394 ND2 ASN A 25 -5.900 -0.374 -8.623 1.00 24.70 N ATOM 0 H ASN A 25 -3.091 -3.184 -6.456 1.00 9.43 H new ATOM 0 HA ASN A 25 -3.005 -1.008 -8.109 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.972 -2.454 -7.214 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.827 -1.600 -5.691 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -6.521 0.349 -8.985 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -5.517 -1.079 -9.253 1.00 24.70 H new ATOM 401 N VAL A 26 -2.288 -0.202 -4.992 1.00 6.52 N ATOM 402 CA VAL A 26 -1.648 0.834 -4.242 1.00 5.53 C ATOM 403 C VAL A 26 -0.334 1.337 -4.733 1.00 4.42 C ATOM 404 O VAL A 26 -0.128 2.505 -5.059 1.00 3.40 O ATOM 405 CB VAL A 26 -1.569 0.572 -2.767 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.077 1.777 -1.949 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.030 0.266 -2.394 1.00 8.12 C ATOM 0 H VAL A 26 -2.334 -1.086 -4.484 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.352 1.645 -4.429 1.00 5.53 H new ATOM 0 HB VAL A 26 -0.855 -0.223 -2.549 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.046 1.511 -0.892 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.078 2.059 -2.281 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.757 2.616 -2.092 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.097 0.056 -1.326 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.655 1.126 -2.635 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.375 -0.602 -2.956 1.00 8.12 H new ATOM 417 N LYS A 27 0.647 0.438 -4.928 1.00 2.64 N ATOM 418 CA LYS A 27 1.964 0.798 -5.356 1.00 4.14 C ATOM 419 C LYS A 27 2.065 1.438 -6.698 1.00 5.58 C ATOM 420 O LYS A 27 2.855 2.366 -6.868 1.00 4.11 O ATOM 421 CB LYS A 27 2.882 -0.423 -5.527 1.00 3.97 C ATOM 422 CG LYS A 27 2.972 -1.322 -4.292 1.00 7.45 C ATOM 423 CD LYS A 27 3.789 -2.601 -4.484 1.00 9.02 C ATOM 424 CE LYS A 27 3.223 -3.558 -5.535 1.00 12.90 C ATOM 425 NZ LYS A 27 4.348 -4.489 -5.773 1.00 15.47 N ATOM 0 H LYS A 27 0.522 -0.564 -4.785 1.00 2.64 H new ATOM 0 HA LYS A 27 2.249 1.486 -4.560 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.525 -1.016 -6.368 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.883 -0.077 -5.784 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.409 -0.749 -3.474 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.962 -1.596 -3.986 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.806 -2.329 -4.767 1.00 9.02 H new ATOM 0 HD3 LYS A 27 3.853 -3.124 -3.530 1.00 9.02 H new ATOM 0 HE2 LYS A 27 2.337 -4.079 -5.172 1.00 12.90 H new ATOM 0 HE3 LYS A 27 2.933 -3.033 -6.445 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.432 -4.679 -6.792 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.231 -4.063 -5.426 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.173 -5.381 -5.268 1.00 15.47 H new ATOM 439 N ALA A 28 1.196 1.145 -7.682 1.00 6.61 N ATOM 440 CA ALA A 28 0.908 1.823 -8.907 1.00 7.74 C ATOM 441 C ALA A 28 0.622 3.281 -8.799 1.00 9.17 C ATOM 442 O ALA A 28 1.120 4.144 -9.520 1.00 11.45 O ATOM 443 CB ALA A 28 -0.199 0.975 -9.556 1.00 7.68 C ATOM 0 H ALA A 28 0.615 0.311 -7.600 1.00 6.61 H new ATOM 0 HA ALA A 28 1.794 1.882 -9.540 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -0.487 1.420 -10.508 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.170 -0.037 -9.725 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.065 0.940 -8.895 1.00 7.68 H new ATOM 449 N LYS A 29 -0.290 3.616 -7.869 1.00 8.96 N ATOM 450 CA LYS A 29 -0.746 4.921 -7.502 1.00 7.90 C ATOM 451 C LYS A 29 0.381 5.707 -6.925 1.00 6.92 C ATOM 452 O LYS A 29 0.515 6.885 -7.252 1.00 6.87 O ATOM 453 CB LYS A 29 -1.891 4.949 -6.475 1.00 10.28 C ATOM 454 CG LYS A 29 -3.166 4.398 -7.116 1.00 14.94 C ATOM 455 CD LYS A 29 -4.231 4.015 -6.087 1.00 19.69 C ATOM 456 CE LYS A 29 -5.639 3.775 -6.635 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.546 2.809 -7.753 1.00 24.98 N ATOM 0 H LYS A 29 -0.755 2.895 -7.318 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.130 5.347 -8.429 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.624 4.354 -5.601 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -2.057 5.969 -6.128 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -3.577 5.144 -7.796 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.916 3.523 -7.716 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.903 3.111 -5.574 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.284 4.805 -5.338 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -6.290 3.387 -5.852 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -6.077 4.712 -6.979 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -5.891 3.255 -8.627 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -4.555 2.519 -7.880 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -6.127 1.973 -7.539 1.00 24.98 H new ATOM 471 N ILE A 30 1.306 5.091 -6.168 1.00 4.57 N ATOM 472 CA ILE A 30 2.451 5.741 -5.611 1.00 5.58 C ATOM 473 C ILE A 30 3.476 6.066 -6.642 1.00 7.26 C ATOM 474 O ILE A 30 4.038 7.159 -6.702 1.00 9.46 O ATOM 475 CB ILE A 30 2.951 4.893 -4.479 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.878 4.737 -3.388 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.317 5.298 -3.899 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.227 3.907 -2.153 1.00 2.00 C ATOM 0 H ILE A 30 1.254 4.099 -5.935 1.00 4.57 H new ATOM 0 HA ILE A 30 2.182 6.719 -5.212 1.00 5.58 H new ATOM 0 HB ILE A 30 3.143 3.917 -4.924 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.596 5.735 -3.051 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.995 4.295 -3.849 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.583 4.620 -3.088 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.075 5.243 -4.681 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.262 6.317 -3.517 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.374 3.888 -1.475 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.473 2.889 -2.456 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.084 4.351 -1.646 1.00 2.00 H new ATOM 490 N GLN A 31 3.751 5.123 -7.561 1.00 7.06 N ATOM 491 CA GLN A 31 4.728 5.343 -8.581 1.00 8.67 C ATOM 492 C GLN A 31 4.196 6.310 -9.582 1.00 10.90 C ATOM 493 O GLN A 31 5.064 6.986 -10.132 1.00 9.63 O ATOM 494 CB GLN A 31 5.215 3.998 -9.146 1.00 9.12 C ATOM 495 CG GLN A 31 4.202 3.348 -10.090 1.00 10.76 C ATOM 496 CD GLN A 31 4.702 2.050 -10.707 1.00 13.78 C ATOM 497 OE1 GLN A 31 4.138 0.958 -10.757 1.00 14.48 O ATOM 498 NE2 GLN A 31 5.887 2.170 -11.364 1.00 14.76 N ATOM 0 H GLN A 31 3.298 4.210 -7.598 1.00 7.06 H new ATOM 0 HA GLN A 31 5.625 5.813 -8.178 1.00 8.67 H new ATOM 0 HB2 GLN A 31 6.154 4.152 -9.678 1.00 9.12 H new ATOM 0 HB3 GLN A 31 5.424 3.317 -8.321 1.00 9.12 H new ATOM 0 HG2 GLN A 31 3.280 3.151 -9.543 1.00 10.76 H new ATOM 0 HG3 GLN A 31 3.956 4.050 -10.887 1.00 10.76 H new ATOM 0 HE21 GLN A 31 6.390 3.057 -11.350 1.00 14.76 H new ATOM 0 HE22 GLN A 31 6.272 1.373 -11.871 1.00 14.76 H new ATOM 507 N ASP A 32 2.913 6.328 -9.985 1.00 10.93 N ATOM 508 CA ASP A 32 2.466 7.293 -10.941 1.00 14.01 C ATOM 509 C ASP A 32 2.336 8.643 -10.323 1.00 14.04 C ATOM 510 O ASP A 32 2.673 9.650 -10.944 1.00 13.39 O ATOM 511 CB ASP A 32 1.177 6.837 -11.645 1.00 18.01 C ATOM 512 CG ASP A 32 0.907 7.523 -12.977 1.00 24.33 C ATOM 513 OD1 ASP A 32 1.767 7.385 -13.887 1.00 26.29 O ATOM 514 OD2 ASP A 32 -0.217 8.040 -13.219 1.00 25.17 O ATOM 0 H ASP A 32 2.194 5.684 -9.655 1.00 10.93 H new ATOM 0 HA ASP A 32 3.227 7.374 -11.717 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.229 5.761 -11.809 1.00 18.01 H new ATOM 0 HB3 ASP A 32 0.332 7.017 -10.980 1.00 18.01 H new ATOM 519 N LYS A 33 1.719 8.710 -9.130 1.00 14.22 N ATOM 520 CA LYS A 33 1.354 9.989 -8.604 1.00 14.00 C ATOM 521 C LYS A 33 2.441 10.610 -7.796 1.00 12.37 C ATOM 522 O LYS A 33 2.929 11.698 -8.098 1.00 12.17 O ATOM 523 CB LYS A 33 0.006 9.970 -7.864 1.00 18.62 C ATOM 524 CG LYS A 33 -0.650 11.307 -7.512 1.00 24.00 C ATOM 525 CD LYS A 33 -2.011 11.204 -6.822 1.00 27.61 C ATOM 526 CE LYS A 33 -2.826 12.440 -6.436 1.00 27.64 C ATOM 527 NZ LYS A 33 -3.478 13.006 -7.638 1.00 30.06 N ATOM 0 H LYS A 33 1.479 7.909 -8.546 1.00 14.22 H new ATOM 0 HA LYS A 33 1.211 10.636 -9.470 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -0.699 9.404 -8.473 1.00 18.62 H new ATOM 0 HB3 LYS A 33 0.144 9.414 -6.937 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.026 11.866 -6.865 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -0.768 11.888 -8.427 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.646 10.600 -7.470 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.856 10.633 -5.907 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -3.579 12.173 -5.694 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.177 13.186 -5.978 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -4.030 13.846 -7.370 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.752 13.276 -8.332 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -4.110 12.295 -8.057 1.00 30.06 H new ATOM 541 N GLU A 34 2.933 9.891 -6.770 1.00 10.11 N ATOM 542 CA GLU A 34 3.918 10.497 -5.930 1.00 10.07 C ATOM 543 C GLU A 34 5.243 10.534 -6.611 1.00 9.32 C ATOM 544 O GLU A 34 5.808 11.581 -6.925 1.00 11.61 O ATOM 545 CB GLU A 34 3.883 9.723 -4.602 1.00 14.77 C ATOM 546 CG GLU A 34 5.001 9.879 -3.570 1.00 18.75 C ATOM 547 CD GLU A 34 5.165 11.276 -2.990 1.00 22.28 C ATOM 548 OE1 GLU A 34 4.126 11.835 -2.548 1.00 25.19 O ATOM 549 OE2 GLU A 34 6.306 11.812 -3.003 1.00 21.95 O ATOM 0 H GLU A 34 2.665 8.937 -6.529 1.00 10.11 H new ATOM 0 HA GLU A 34 3.712 11.546 -5.720 1.00 10.07 H new ATOM 0 HB2 GLU A 34 2.950 9.986 -4.104 1.00 14.77 H new ATOM 0 HB3 GLU A 34 3.824 8.664 -4.851 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.816 9.184 -2.751 1.00 18.75 H new ATOM 0 HG3 GLU A 34 5.943 9.583 -4.032 1.00 18.75 H new ATOM 556 N GLY A 35 5.758 9.322 -6.884 1.00 7.22 N ATOM 557 CA GLY A 35 6.948 9.079 -7.639 1.00 6.29 C ATOM 558 C GLY A 35 7.987 8.272 -6.939 1.00 6.93 C ATOM 559 O GLY A 35 9.179 8.550 -7.061 1.00 7.41 O ATOM 0 H GLY A 35 5.317 8.462 -6.558 1.00 7.22 H new ATOM 0 HA2 GLY A 35 6.676 8.569 -8.563 1.00 6.29 H new ATOM 0 HA3 GLY A 35 7.383 10.038 -7.920 1.00 6.29 H new ATOM 563 N ILE A 36 7.560 7.231 -6.202 1.00 5.86 N ATOM 564 CA ILE A 36 8.499 6.349 -5.583 1.00 6.07 C ATOM 565 C ILE A 36 8.545 5.083 -6.368 1.00 6.36 C ATOM 566 O ILE A 36 7.487 4.467 -6.481 1.00 6.18 O ATOM 567 CB ILE A 36 8.110 6.085 -4.158 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.245 7.414 -3.395 1.00 8.52 C ATOM 569 CG2 ILE A 36 8.908 5.018 -3.389 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.731 7.408 -1.956 1.00 9.49 C ATOM 0 H ILE A 36 6.580 7.002 -6.036 1.00 5.86 H new ATOM 0 HA ILE A 36 9.489 6.805 -5.572 1.00 6.07 H new ATOM 0 HB ILE A 36 7.099 5.681 -4.212 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.297 7.700 -3.384 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.710 8.186 -3.949 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.519 4.933 -2.374 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.813 4.057 -3.895 1.00 7.36 H new ATOM 0 HG23 ILE A 36 9.959 5.306 -3.351 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.875 8.394 -1.514 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.670 7.159 -1.950 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.281 6.667 -1.376 1.00 9.49 H new ATOM 582 N PRO A 37 9.582 4.595 -6.981 1.00 8.65 N ATOM 583 CA PRO A 37 9.549 3.480 -7.883 1.00 9.18 C ATOM 584 C PRO A 37 9.141 2.220 -7.202 1.00 9.85 C ATOM 585 O PRO A 37 9.373 2.091 -6.001 1.00 8.51 O ATOM 586 CB PRO A 37 10.998 3.387 -8.357 1.00 11.42 C ATOM 587 CG PRO A 37 11.514 4.835 -8.391 1.00 9.27 C ATOM 588 CD PRO A 37 10.797 5.379 -7.145 1.00 8.33 C ATOM 0 HA PRO A 37 8.826 3.614 -8.687 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.593 2.774 -7.680 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.059 2.925 -9.343 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.599 4.897 -8.312 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.230 5.361 -9.303 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.434 5.293 -6.265 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.561 6.436 -7.266 1.00 8.33 H new ATOM 596 N PRO A 38 8.635 1.278 -7.942 1.00 8.71 N ATOM 597 CA PRO A 38 7.862 0.226 -7.349 1.00 9.08 C ATOM 598 C PRO A 38 8.636 -0.777 -6.564 1.00 9.28 C ATOM 599 O PRO A 38 8.098 -1.503 -5.730 1.00 6.50 O ATOM 600 CB PRO A 38 7.146 -0.403 -8.542 1.00 10.31 C ATOM 601 CG PRO A 38 8.081 -0.141 -9.733 1.00 10.81 C ATOM 602 CD PRO A 38 8.601 1.266 -9.397 1.00 12.00 C ATOM 0 HA PRO A 38 7.191 0.626 -6.589 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.985 -1.470 -8.391 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.166 0.048 -8.700 1.00 10.31 H new ATOM 0 HG2 PRO A 38 8.886 -0.874 -9.794 1.00 10.81 H new ATOM 0 HG3 PRO A 38 7.552 -0.168 -10.686 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.589 1.441 -9.823 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.943 2.041 -9.789 1.00 12.00 H new ATOM 610 N ASP A 39 9.963 -0.882 -6.759 1.00 11.20 N ATOM 611 CA ASP A 39 10.803 -1.956 -6.330 1.00 14.96 C ATOM 612 C ASP A 39 11.325 -1.590 -4.983 1.00 13.99 C ATOM 613 O ASP A 39 11.859 -2.338 -4.165 1.00 13.75 O ATOM 614 CB ASP A 39 11.843 -2.239 -7.427 1.00 24.16 C ATOM 615 CG ASP A 39 12.793 -1.056 -7.546 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.364 -0.061 -8.189 1.00 34.22 O ATOM 617 OD2 ASP A 39 13.982 -1.138 -7.139 1.00 35.55 O ATOM 0 H ASP A 39 10.486 -0.160 -7.254 1.00 11.20 H new ATOM 0 HA ASP A 39 10.289 -2.908 -6.202 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.401 -3.144 -7.188 1.00 24.16 H new ATOM 0 HB3 ASP A 39 11.343 -2.415 -8.380 1.00 24.16 H new ATOM 622 N GLN A 40 11.112 -0.295 -4.691 1.00 11.60 N ATOM 623 CA GLN A 40 11.446 0.233 -3.405 1.00 10.76 C ATOM 624 C GLN A 40 10.392 0.107 -2.359 1.00 8.01 C ATOM 625 O GLN A 40 10.683 0.300 -1.179 1.00 8.96 O ATOM 626 CB GLN A 40 11.752 1.734 -3.540 1.00 11.14 C ATOM 627 CG GLN A 40 12.775 2.086 -4.622 1.00 14.85 C ATOM 628 CD GLN A 40 13.314 3.508 -4.573 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.016 4.298 -3.679 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.083 3.902 -5.623 1.00 18.16 N ATOM 0 H GLN A 40 10.711 0.382 -5.340 1.00 11.60 H new ATOM 0 HA GLN A 40 12.296 -0.365 -3.078 1.00 10.76 H new ATOM 0 HB2 GLN A 40 10.823 2.262 -3.753 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.116 2.104 -2.581 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.614 1.395 -4.543 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.317 1.922 -5.598 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.323 3.236 -6.358 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.420 4.863 -5.676 1.00 18.16 H new ATOM 639 N GLN A 41 9.184 -0.356 -2.729 1.00 6.52 N ATOM 640 CA GLN A 41 7.964 -0.233 -1.993 1.00 3.87 C ATOM 641 C GLN A 41 7.502 -1.442 -1.254 1.00 4.79 C ATOM 642 O GLN A 41 6.970 -2.370 -1.860 1.00 6.34 O ATOM 643 CB GLN A 41 6.801 0.070 -2.952 1.00 4.20 C ATOM 644 CG GLN A 41 7.048 1.432 -3.605 1.00 3.20 C ATOM 645 CD GLN A 41 5.692 1.764 -4.211 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.677 1.589 -3.540 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.639 2.383 -5.421 1.00 7.13 N ATOM 0 H GLN A 41 9.052 -0.854 -3.610 1.00 6.52 H new ATOM 0 HA GLN A 41 8.203 0.551 -1.274 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.727 -0.706 -3.713 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.855 0.076 -2.410 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.360 2.180 -2.876 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.829 1.382 -4.364 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.493 2.519 -5.962 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.745 2.712 -5.787 1.00 7.13 H new ATOM 656 N ARG A 42 7.599 -1.464 0.087 1.00 5.73 N ATOM 657 CA ARG A 42 7.059 -2.494 0.919 1.00 6.97 C ATOM 658 C ARG A 42 6.037 -1.875 1.809 1.00 7.15 C ATOM 659 O ARG A 42 6.312 -0.964 2.589 1.00 7.33 O ATOM 660 CB ARG A 42 8.088 -3.248 1.778 1.00 13.23 C ATOM 661 CG ARG A 42 7.489 -4.312 2.701 1.00 21.27 C ATOM 662 CD ARG A 42 8.609 -5.090 3.395 1.00 26.14 C ATOM 663 NE ARG A 42 9.380 -5.847 2.370 1.00 32.26 N ATOM 664 CZ ARG A 42 10.623 -6.346 2.631 1.00 34.32 C ATOM 665 NH1 ARG A 42 11.432 -5.999 3.674 1.00 35.30 N ATOM 666 NH2 ARG A 42 11.186 -7.179 1.707 1.00 36.39 N ATOM 0 H ARG A 42 8.075 -0.732 0.614 1.00 5.73 H new ATOM 0 HA ARG A 42 6.639 -3.246 0.251 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.813 -3.724 1.118 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.635 -2.526 2.384 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.847 -3.841 3.445 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.863 -4.994 2.126 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.266 -4.406 3.931 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.191 -5.774 4.133 1.00 26.14 H new ATOM 0 HE ARG A 42 8.968 -5.996 1.449 1.00 32.26 H new ATOM 0 HH11 ARG A 42 11.121 -5.303 4.351 1.00 35.30 H new ATOM 0 HH12 ARG A 42 12.348 -6.436 3.776 1.00 35.30 H new ATOM 0 HH21 ARG A 42 10.679 -7.411 0.853 1.00 36.39 H new ATOM 0 HH22 ARG A 42 12.114 -7.570 1.871 1.00 36.39 H new ATOM 680 N LEU A 43 4.795 -2.390 1.821 1.00 4.65 N ATOM 681 CA LEU A 43 3.720 -1.906 2.632 1.00 3.51 C ATOM 682 C LEU A 43 3.501 -2.780 3.818 1.00 5.56 C ATOM 683 O LEU A 43 3.480 -4.008 3.740 1.00 4.19 O ATOM 684 CB LEU A 43 2.482 -1.866 1.720 1.00 3.74 C ATOM 685 CG LEU A 43 2.233 -0.574 0.924 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.295 -0.801 -0.274 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.733 0.677 1.667 1.00 9.55 C ATOM 0 H LEU A 43 4.527 -3.182 1.237 1.00 4.65 H new ATOM 0 HA LEU A 43 3.941 -0.916 3.032 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.559 -2.690 1.010 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.603 -2.057 2.336 1.00 3.74 H new ATOM 0 HG LEU A 43 3.257 -0.343 0.630 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.149 0.140 -0.805 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.737 -1.534 -0.949 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.333 -1.170 0.082 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.610 1.496 0.958 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.776 0.460 2.141 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.459 0.962 2.429 1.00 9.55 H new ATOM 699 N ILE A 44 3.467 -2.163 5.012 1.00 4.58 N ATOM 700 CA ILE A 44 3.078 -2.719 6.271 1.00 5.55 C ATOM 701 C ILE A 44 1.780 -2.107 6.670 1.00 5.46 C ATOM 702 O ILE A 44 1.497 -0.930 6.452 1.00 6.04 O ATOM 703 CB ILE A 44 4.170 -2.635 7.296 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.274 -3.661 6.986 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.626 -2.817 8.723 1.00 7.39 C ATOM 706 CD1 ILE A 44 6.567 -3.360 7.742 1.00 13.90 C ATOM 0 H ILE A 44 3.737 -1.184 5.102 1.00 4.58 H new ATOM 0 HA ILE A 44 2.917 -3.793 6.182 1.00 5.55 H new ATOM 0 HB ILE A 44 4.603 -1.636 7.245 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.925 -4.659 7.249 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.474 -3.665 5.914 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.447 -2.750 9.437 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.895 -2.037 8.936 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.150 -3.794 8.809 1.00 7.39 H new ATOM 0 HD11 ILE A 44 7.318 -4.110 7.492 1.00 13.90 H new ATOM 0 HD12 ILE A 44 6.932 -2.373 7.459 1.00 13.90 H new ATOM 0 HD13 ILE A 44 6.375 -3.382 8.815 1.00 13.90 H new ATOM 718 N PHE A 45 0.919 -2.951 7.266 1.00 6.75 N ATOM 719 CA PHE A 45 -0.337 -2.584 7.845 1.00 4.70 C ATOM 720 C PHE A 45 -0.397 -3.312 9.144 1.00 6.34 C ATOM 721 O PHE A 45 -0.191 -4.519 9.261 1.00 5.45 O ATOM 722 CB PHE A 45 -1.532 -3.081 7.015 1.00 5.51 C ATOM 723 CG PHE A 45 -2.864 -2.860 7.646 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.284 -1.656 8.159 1.00 6.86 C ATOM 725 CD2 PHE A 45 -3.641 -3.988 7.772 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.506 -1.561 8.783 1.00 6.68 C ATOM 727 CE2 PHE A 45 -4.852 -3.834 8.406 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.305 -2.664 8.968 1.00 6.84 C ATOM 0 H PHE A 45 1.111 -3.949 7.349 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.398 -1.498 7.919 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.517 -2.582 6.046 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.407 -4.147 6.826 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.654 -0.783 8.072 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.317 -4.946 7.393 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -4.845 -0.598 9.136 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -5.496 -4.699 8.467 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.232 -2.615 9.521 1.00 6.84 H new ATOM 738 N ALA A 46 -0.746 -2.538 10.187 1.00 6.53 N ATOM 739 CA ALA A 46 -0.648 -2.887 11.571 1.00 7.15 C ATOM 740 C ALA A 46 0.736 -3.279 11.960 1.00 9.00 C ATOM 741 O ALA A 46 1.606 -2.434 12.166 1.00 11.15 O ATOM 742 CB ALA A 46 -1.718 -3.893 12.027 1.00 8.99 C ATOM 0 H ALA A 46 -1.124 -1.600 10.052 1.00 6.53 H new ATOM 0 HA ALA A 46 -0.871 -1.976 12.126 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -1.584 -4.112 13.086 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -2.709 -3.468 11.867 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -1.621 -4.813 11.451 1.00 8.99 H new ATOM 748 N GLY A 47 1.046 -4.587 12.010 1.00 9.35 N ATOM 749 CA GLY A 47 2.390 -5.035 12.201 1.00 11.68 C ATOM 750 C GLY A 47 2.895 -6.022 11.205 1.00 11.14 C ATOM 751 O GLY A 47 3.932 -6.653 11.403 1.00 13.93 O ATOM 0 H GLY A 47 0.362 -5.338 11.918 1.00 9.35 H new ATOM 0 HA2 GLY A 47 3.048 -4.166 12.188 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.467 -5.478 13.194 1.00 11.68 H new ATOM 755 N LYS A 48 2.148 -6.368 10.142 1.00 10.47 N ATOM 756 CA LYS A 48 2.375 -7.333 9.111 1.00 8.82 C ATOM 757 C LYS A 48 2.609 -6.694 7.785 1.00 7.68 C ATOM 758 O LYS A 48 1.968 -5.724 7.384 1.00 6.47 O ATOM 759 CB LYS A 48 1.194 -8.307 8.966 1.00 9.74 C ATOM 760 CG LYS A 48 -0.180 -7.633 8.947 1.00 14.14 C ATOM 761 CD LYS A 48 -1.311 -8.653 9.095 1.00 16.32 C ATOM 762 CE LYS A 48 -2.697 -8.016 8.974 1.00 20.04 C ATOM 763 NZ LYS A 48 -3.771 -9.018 8.797 1.00 23.92 N ATOM 0 H LYS A 48 1.255 -5.899 9.989 1.00 10.47 H new ATOM 0 HA LYS A 48 3.268 -7.878 9.416 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.319 -8.877 8.045 1.00 9.74 H new ATOM 0 HB3 LYS A 48 1.224 -9.021 9.789 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -0.239 -6.904 9.755 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -0.304 -7.085 8.013 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -1.202 -9.424 8.333 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -1.225 -9.147 10.063 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -2.900 -7.425 9.867 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -2.704 -7.328 8.128 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -4.688 -8.534 8.720 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -3.595 -9.566 7.931 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -3.785 -9.660 9.615 1.00 23.92 H new ATOM 777 N GLN A 49 3.506 -7.302 6.989 1.00 8.89 N ATOM 778 CA GLN A 49 3.810 -6.876 5.658 1.00 7.18 C ATOM 779 C GLN A 49 2.974 -7.506 4.598 1.00 8.23 C ATOM 780 O GLN A 49 2.703 -8.706 4.614 1.00 9.70 O ATOM 781 CB GLN A 49 5.323 -6.910 5.385 1.00 11.67 C ATOM 782 CG GLN A 49 6.063 -8.242 5.517 1.00 15.82 C ATOM 783 CD GLN A 49 7.576 -8.165 5.667 1.00 20.21 C ATOM 784 OE1 GLN A 49 8.018 -7.458 6.571 1.00 23.23 O ATOM 785 NE2 GLN A 49 8.376 -8.825 4.787 1.00 20.67 N ATOM 0 H GLN A 49 4.039 -8.120 7.283 1.00 8.89 H new ATOM 0 HA GLN A 49 3.514 -5.829 5.599 1.00 7.18 H new ATOM 0 HB2 GLN A 49 5.485 -6.541 4.372 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.797 -6.200 6.062 1.00 11.67 H new ATOM 0 HG2 GLN A 49 5.661 -8.772 6.380 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.837 -8.847 4.639 1.00 15.82 H new ATOM 0 HE21 GLN A 49 7.962 -9.400 4.053 1.00 20.67 H new ATOM 0 HE22 GLN A 49 9.390 -8.745 4.861 1.00 20.67 H new ATOM 794 N LEU A 50 2.451 -6.679 3.675 1.00 6.51 N ATOM 795 CA LEU A 50 1.511 -6.998 2.646 1.00 7.41 C ATOM 796 C LEU A 50 2.140 -7.476 1.382 1.00 8.27 C ATOM 797 O LEU A 50 3.125 -6.839 1.013 1.00 8.34 O ATOM 798 CB LEU A 50 0.662 -5.770 2.276 1.00 7.13 C ATOM 799 CG LEU A 50 0.069 -4.934 3.423 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.829 -3.797 2.908 1.00 9.11 C ATOM 801 CD2 LEU A 50 -0.806 -5.724 4.412 1.00 8.14 C ATOM 0 H LEU A 50 2.713 -5.694 3.649 1.00 6.51 H new ATOM 0 HA LEU A 50 0.907 -7.801 3.069 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.277 -5.110 1.664 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.162 -6.110 1.649 1.00 7.13 H new ATOM 0 HG LEU A 50 0.960 -4.565 3.931 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.225 -3.235 3.754 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.245 -3.132 2.271 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.655 -4.217 2.333 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.179 -5.052 5.185 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -1.647 -6.168 3.879 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -0.212 -6.513 4.873 1.00 8.14 H new ATOM 813 N GLU A 51 1.575 -8.492 0.706 1.00 9.43 N ATOM 814 CA GLU A 51 1.884 -8.953 -0.612 1.00 11.90 C ATOM 815 C GLU A 51 1.198 -8.118 -1.638 1.00 11.49 C ATOM 816 O GLU A 51 0.608 -7.066 -1.397 1.00 9.88 O ATOM 817 CB GLU A 51 1.601 -10.448 -0.835 1.00 16.56 C ATOM 818 CG GLU A 51 0.126 -10.852 -0.796 1.00 26.06 C ATOM 819 CD GLU A 51 -0.121 -12.294 -1.216 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.314 -12.444 -2.453 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.244 -13.220 -0.371 1.00 32.13 O ATOM 0 H GLU A 51 0.828 -9.044 1.127 1.00 9.43 H new ATOM 0 HA GLU A 51 2.963 -8.841 -0.722 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.014 -10.738 -1.801 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.136 -11.018 -0.076 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.256 -10.706 0.215 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.441 -10.189 -1.450 1.00 26.06 H new ATOM 828 N ASP A 52 1.314 -8.455 -2.935 1.00 12.71 N ATOM 829 CA ASP A 52 0.805 -7.770 -4.082 1.00 16.56 C ATOM 830 C ASP A 52 -0.621 -8.080 -4.382 1.00 15.83 C ATOM 831 O ASP A 52 -1.531 -7.259 -4.279 1.00 17.21 O ATOM 832 CB ASP A 52 1.752 -8.089 -5.251 1.00 21.05 C ATOM 833 CG ASP A 52 3.211 -7.802 -4.925 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.443 -6.750 -4.271 1.00 25.82 O ATOM 835 OD2 ASP A 52 4.125 -8.631 -5.176 1.00 28.37 O ATOM 0 H ASP A 52 1.819 -9.299 -3.205 1.00 12.71 H new ATOM 0 HA ASP A 52 0.787 -6.697 -3.891 1.00 16.56 H new ATOM 0 HB2 ASP A 52 1.645 -9.139 -5.523 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.457 -7.503 -6.121 1.00 21.05 H new ATOM 840 N GLY A 53 -0.874 -9.324 -4.827 1.00 15.00 N ATOM 841 CA GLY A 53 -2.116 -9.740 -5.400 1.00 11.77 C ATOM 842 C GLY A 53 -3.147 -10.229 -4.441 1.00 11.10 C ATOM 843 O GLY A 53 -3.569 -11.383 -4.490 1.00 11.25 O ATOM 0 H GLY A 53 -0.182 -10.072 -4.785 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -2.535 -8.902 -5.957 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.914 -10.533 -6.120 1.00 11.77 H new ATOM 847 N ARG A 54 -3.483 -9.369 -3.463 1.00 8.53 N ATOM 848 CA ARG A 54 -4.338 -9.731 -2.375 1.00 9.05 C ATOM 849 C ARG A 54 -5.079 -8.496 -1.992 1.00 8.96 C ATOM 850 O ARG A 54 -4.448 -7.452 -2.147 1.00 11.60 O ATOM 851 CB ARG A 54 -3.425 -10.222 -1.239 1.00 7.97 C ATOM 852 CG ARG A 54 -4.161 -10.929 -0.099 1.00 9.62 C ATOM 853 CD ARG A 54 -3.133 -11.744 0.689 1.00 12.20 C ATOM 854 NE ARG A 54 -3.803 -12.700 1.614 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.248 -13.905 1.933 1.00 22.08 C ATOM 856 NH1 ARG A 54 -2.025 -14.263 1.444 1.00 23.38 N ATOM 857 NH2 ARG A 54 -3.945 -14.826 2.661 1.00 25.50 N ATOM 0 H ARG A 54 -3.155 -8.404 -3.427 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.053 -10.517 -2.617 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -2.683 -10.904 -1.654 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -2.882 -9.369 -0.831 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -4.649 -10.201 0.549 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -4.942 -11.579 -0.494 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -2.491 -12.291 -0.002 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -2.490 -11.072 1.258 1.00 12.20 H new ATOM 0 HE ARG A 54 -4.703 -12.446 2.021 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -1.514 -13.627 0.832 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -1.622 -15.167 1.691 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -4.893 -14.617 2.974 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -3.518 -15.723 2.892 1.00 25.50 H new ATOM 871 N THR A 55 -6.387 -8.582 -1.691 1.00 9.05 N ATOM 872 CA THR A 55 -7.210 -7.419 -1.565 1.00 9.03 C ATOM 873 C THR A 55 -7.037 -6.752 -0.244 1.00 8.15 C ATOM 874 O THR A 55 -6.359 -7.163 0.696 1.00 5.91 O ATOM 875 CB THR A 55 -8.656 -7.578 -1.928 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.396 -8.427 -1.063 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.666 -8.190 -3.339 1.00 11.71 C ATOM 0 H THR A 55 -6.877 -9.463 -1.534 1.00 9.05 H new ATOM 0 HA THR A 55 -6.828 -6.759 -2.344 1.00 9.03 H new ATOM 0 HB THR A 55 -9.135 -6.602 -1.855 1.00 11.15 H new ATOM 0 HG1 THR A 55 -10.326 -8.475 -1.368 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.696 -8.333 -3.666 1.00 11.71 H new ATOM 0 HG22 THR A 55 -8.155 -7.519 -4.030 1.00 11.71 H new ATOM 0 HG23 THR A 55 -8.154 -9.152 -3.322 1.00 11.71 H new ATOM 885 N LEU A 56 -7.533 -5.503 -0.279 1.00 6.91 N ATOM 886 CA LEU A 56 -7.668 -4.658 0.867 1.00 8.29 C ATOM 887 C LEU A 56 -8.597 -5.316 1.828 1.00 8.05 C ATOM 888 O LEU A 56 -8.261 -5.413 3.007 1.00 10.17 O ATOM 889 CB LEU A 56 -8.067 -3.225 0.478 1.00 6.60 C ATOM 890 CG LEU A 56 -7.023 -2.491 -0.380 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.826 -1.553 -1.298 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.093 -1.674 0.533 1.00 9.85 C ATOM 0 H LEU A 56 -7.853 -5.063 -1.142 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.707 -4.536 1.366 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.010 -3.258 -0.067 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.243 -2.650 1.387 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.404 -3.179 -0.956 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -7.141 -0.997 -1.939 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.504 -2.141 -1.916 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.402 -0.855 -0.691 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.353 -1.153 -0.074 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.680 -0.946 1.093 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.586 -2.343 1.228 1.00 9.85 H new ATOM 904 N SER A 57 -9.725 -5.817 1.292 1.00 8.92 N ATOM 905 CA SER A 57 -10.704 -6.588 1.993 1.00 9.00 C ATOM 906 C SER A 57 -10.176 -7.797 2.686 1.00 9.44 C ATOM 907 O SER A 57 -10.488 -8.004 3.857 1.00 10.91 O ATOM 908 CB SER A 57 -11.909 -7.083 1.175 1.00 10.32 C ATOM 909 OG SER A 57 -12.751 -6.006 0.792 1.00 13.59 O ATOM 0 H SER A 57 -9.967 -5.675 0.311 1.00 8.92 H new ATOM 0 HA SER A 57 -11.031 -5.830 2.704 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.557 -7.606 0.286 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.480 -7.802 1.763 1.00 10.32 H new ATOM 0 HG SER A 57 -12.304 -5.470 0.104 1.00 13.59 H new ATOM 915 N ASP A 58 -9.230 -8.561 2.112 1.00 9.11 N ATOM 916 CA ASP A 58 -8.603 -9.693 2.722 1.00 7.91 C ATOM 917 C ASP A 58 -7.816 -9.344 3.938 1.00 9.12 C ATOM 918 O ASP A 58 -7.923 -9.975 4.989 1.00 8.61 O ATOM 919 CB ASP A 58 -7.746 -10.293 1.595 1.00 8.41 C ATOM 920 CG ASP A 58 -7.542 -11.766 1.919 1.00 11.50 C ATOM 921 OD1 ASP A 58 -8.391 -12.621 1.551 1.00 10.05 O ATOM 922 OD2 ASP A 58 -6.466 -12.071 2.498 1.00 11.70 O ATOM 0 H ASP A 58 -8.883 -8.379 1.170 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.331 -10.407 3.108 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -8.242 -10.176 0.631 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -6.788 -9.778 1.525 1.00 8.41 H new ATOM 927 N TYR A 59 -6.903 -8.372 3.761 1.00 7.97 N ATOM 928 CA TYR A 59 -6.072 -7.858 4.805 1.00 8.45 C ATOM 929 C TYR A 59 -6.810 -7.047 5.815 1.00 10.98 C ATOM 930 O TYR A 59 -6.199 -6.647 6.804 1.00 12.95 O ATOM 931 CB TYR A 59 -5.005 -6.945 4.179 1.00 7.94 C ATOM 932 CG TYR A 59 -3.858 -7.687 3.584 1.00 6.91 C ATOM 933 CD1 TYR A 59 -3.050 -8.415 4.425 1.00 6.98 C ATOM 934 CD2 TYR A 59 -3.593 -7.720 2.235 1.00 4.59 C ATOM 935 CE1 TYR A 59 -1.975 -9.141 3.966 1.00 6.52 C ATOM 936 CE2 TYR A 59 -2.467 -8.360 1.772 1.00 5.39 C ATOM 937 CZ TYR A 59 -1.676 -9.093 2.625 1.00 6.76 C ATOM 938 OH TYR A 59 -0.503 -9.774 2.236 1.00 7.63 O ATOM 0 H TYR A 59 -6.738 -7.928 2.858 1.00 7.97 H new ATOM 0 HA TYR A 59 -5.648 -8.722 5.316 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.471 -6.333 3.407 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -4.629 -6.264 4.942 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -3.267 -8.417 5.483 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.268 -7.244 1.540 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -1.380 -9.735 4.644 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.201 -8.286 0.728 1.00 5.39 H new ATOM 0 HH TYR A 59 -0.584 -10.723 2.466 1.00 7.63 H new ATOM 948 N ASN A 60 -8.112 -6.761 5.639 1.00 12.38 N ATOM 949 CA ASN A 60 -8.973 -6.016 6.504 1.00 13.94 C ATOM 950 C ASN A 60 -8.549 -4.588 6.563 1.00 14.16 C ATOM 951 O ASN A 60 -8.502 -3.994 7.639 1.00 14.26 O ATOM 952 CB ASN A 60 -9.194 -6.729 7.849 1.00 19.23 C ATOM 953 CG ASN A 60 -10.587 -6.504 8.420 1.00 22.65 C ATOM 954 OD1 ASN A 60 -11.478 -5.878 7.848 1.00 25.45 O ATOM 955 ND2 ASN A 60 -10.903 -7.156 9.571 1.00 24.09 N ATOM 0 H ASN A 60 -8.608 -7.084 4.809 1.00 12.38 H new ATOM 0 HA ASN A 60 -9.979 -5.980 6.086 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -9.029 -7.799 7.718 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -8.452 -6.378 8.566 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -11.855 -7.116 9.935 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -10.188 -7.685 10.071 1.00 24.09 H new ATOM 962 N ILE A 61 -8.395 -3.961 5.383 1.00 11.08 N ATOM 963 CA ILE A 61 -8.079 -2.570 5.279 1.00 11.78 C ATOM 964 C ILE A 61 -9.352 -1.914 4.868 1.00 13.74 C ATOM 965 O ILE A 61 -9.947 -2.190 3.827 1.00 14.60 O ATOM 966 CB ILE A 61 -6.921 -2.419 4.337 1.00 11.80 C ATOM 967 CG1 ILE A 61 -5.656 -3.066 4.926 1.00 11.56 C ATOM 968 CG2 ILE A 61 -6.632 -0.947 3.998 1.00 13.29 C ATOM 969 CD1 ILE A 61 -4.600 -3.371 3.865 1.00 11.42 C ATOM 0 H ILE A 61 -8.492 -4.430 4.482 1.00 11.08 H new ATOM 0 HA ILE A 61 -7.743 -2.092 6.199 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.200 -2.928 3.414 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.229 -2.401 5.677 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -5.929 -3.989 5.436 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -5.786 -0.891 3.313 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.509 -0.503 3.528 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.396 -0.403 4.912 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -3.730 -3.826 4.338 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.013 -4.059 3.127 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.302 -2.446 3.372 1.00 11.42 H new ATOM 981 N GLN A 62 -9.848 -0.996 5.717 1.00 13.97 N ATOM 982 CA GLN A 62 -11.168 -0.448 5.753 1.00 15.52 C ATOM 983 C GLN A 62 -11.079 1.027 5.559 1.00 13.94 C ATOM 984 O GLN A 62 -10.060 1.616 5.202 1.00 12.15 O ATOM 985 CB GLN A 62 -11.999 -0.756 7.010 1.00 19.53 C ATOM 986 CG GLN A 62 -12.194 -2.247 7.295 1.00 26.38 C ATOM 987 CD GLN A 62 -12.758 -2.498 8.686 1.00 30.61 C ATOM 988 OE1 GLN A 62 -13.278 -1.631 9.388 1.00 33.23 O ATOM 989 NE2 GLN A 62 -12.647 -3.766 9.162 1.00 32.71 N ATOM 0 H GLN A 62 -9.262 -0.599 6.452 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.708 -0.943 4.946 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -11.515 -0.295 7.871 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -12.978 -0.288 6.906 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.866 -2.673 6.550 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.239 -2.762 7.194 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -12.217 -4.491 8.587 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -12.993 -3.993 10.094 1.00 32.71 H new ATOM 998 N LYS A 63 -12.208 1.740 5.717 1.00 11.73 N ATOM 999 CA LYS A 63 -12.336 3.141 5.460 1.00 11.97 C ATOM 1000 C LYS A 63 -11.527 4.046 6.324 1.00 10.41 C ATOM 1001 O LYS A 63 -11.759 3.898 7.522 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.807 3.588 5.518 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.728 2.828 4.562 1.00 16.98 C ATOM 1004 CD LYS A 63 -16.026 3.584 4.269 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.205 2.763 3.744 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.995 2.326 2.346 1.00 25.97 N ATOM 0 H LYS A 63 -13.077 1.317 6.041 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.928 3.244 4.455 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -14.174 3.462 6.537 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.862 4.652 5.289 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.201 2.643 3.626 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.968 1.855 4.991 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -16.342 4.082 5.185 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.806 4.365 3.541 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.350 1.889 4.379 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -18.117 3.357 3.805 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -17.816 1.773 2.028 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.882 3.160 1.735 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -16.139 1.738 2.291 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.561 4.800 5.770 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.614 5.678 6.385 1.00 10.94 C ATOM 1022 C GLU A 64 -8.474 4.981 7.044 1.00 9.74 C ATOM 1023 O GLU A 64 -7.827 5.547 7.923 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.310 6.692 7.308 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.462 7.457 6.653 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.073 8.400 7.679 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -11.405 9.413 8.020 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -13.242 8.191 8.100 1.00 31.72 O ATOM 0 H GLU A 64 -10.431 4.789 4.758 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.151 6.238 5.573 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -10.691 6.166 8.184 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -9.570 7.409 7.664 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.100 8.020 5.792 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.216 6.761 6.285 1.00 24.16 H new ATOM 1035 N SER A 65 -8.151 3.708 6.753 1.00 6.85 N ATOM 1036 CA SER A 65 -7.073 2.979 7.347 1.00 6.90 C ATOM 1037 C SER A 65 -5.712 3.545 7.127 1.00 4.72 C ATOM 1038 O SER A 65 -5.359 4.030 6.053 1.00 3.91 O ATOM 1039 CB SER A 65 -6.996 1.510 6.900 1.00 7.28 C ATOM 1040 OG SER A 65 -8.095 0.799 7.451 1.00 10.56 O ATOM 0 H SER A 65 -8.669 3.159 6.067 1.00 6.85 H new ATOM 0 HA SER A 65 -7.332 3.061 8.403 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.014 1.446 5.812 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.057 1.065 7.230 1.00 7.28 H new ATOM 0 HG SER A 65 -7.797 -0.088 7.744 1.00 10.56 H new ATOM 1046 N THR A 66 -4.804 3.427 8.112 1.00 4.48 N ATOM 1047 CA THR A 66 -3.439 3.788 7.884 1.00 3.80 C ATOM 1048 C THR A 66 -2.530 2.677 7.484 1.00 4.60 C ATOM 1049 O THR A 66 -2.334 1.702 8.207 1.00 5.33 O ATOM 1050 CB THR A 66 -2.794 4.498 9.037 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.477 5.691 9.395 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.424 5.124 8.727 1.00 3.40 C ATOM 0 H THR A 66 -5.009 3.087 9.052 1.00 4.48 H new ATOM 0 HA THR A 66 -3.549 4.463 7.035 1.00 3.80 H new ATOM 0 HB THR A 66 -2.773 3.699 9.779 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.121 6.030 10.243 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.037 5.614 9.620 1.00 3.40 H new ATOM 0 HG22 THR A 66 -0.731 4.344 8.412 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.532 5.858 7.928 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.835 2.890 6.352 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.805 2.010 5.894 1.00 3.85 C ATOM 1062 C LEU A 67 0.568 2.573 6.028 1.00 3.80 C ATOM 1063 O LEU A 67 0.772 3.785 6.066 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.037 1.391 4.505 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.440 0.826 4.228 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.398 0.297 2.784 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -3.000 -0.247 5.176 1.00 8.12 C ATOM 0 H LEU A 67 -1.992 3.692 5.741 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.876 1.175 6.591 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.821 2.150 3.753 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.313 0.589 4.364 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.139 1.645 4.400 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.370 -0.121 2.521 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.159 1.114 2.104 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.636 -0.478 2.702 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.996 -0.541 4.845 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.344 -1.117 5.169 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -3.058 0.155 6.187 1.00 8.12 H new ATOM 1079 N HIS A 68 1.637 1.771 6.174 1.00 2.94 N ATOM 1080 CA HIS A 68 2.987 2.211 6.352 1.00 4.17 C ATOM 1081 C HIS A 68 3.847 1.829 5.196 1.00 5.32 C ATOM 1082 O HIS A 68 3.855 0.653 4.834 1.00 7.70 O ATOM 1083 CB HIS A 68 3.691 1.619 7.584 1.00 5.57 C ATOM 1084 CG HIS A 68 2.968 1.851 8.877 1.00 9.95 C ATOM 1085 ND1 HIS A 68 3.209 2.865 9.782 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.973 1.091 9.410 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.350 2.616 10.806 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.542 1.588 10.623 1.00 16.30 N ATOM 0 H HIS A 68 1.554 0.754 6.167 1.00 2.94 H new ATOM 0 HA HIS A 68 2.883 3.290 6.464 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.814 0.546 7.437 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.691 2.047 7.658 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.570 0.206 8.941 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.330 3.216 11.704 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.791 1.248 11.224 1.00 16.30 H new ATOM 1096 N LEU A 69 4.633 2.775 4.654 1.00 5.29 N ATOM 1097 CA LEU A 69 5.457 2.462 3.528 1.00 3.97 C ATOM 1098 C LEU A 69 6.888 2.445 3.942 1.00 5.07 C ATOM 1099 O LEU A 69 7.353 3.446 4.485 1.00 4.34 O ATOM 1100 CB LEU A 69 5.043 3.341 2.335 1.00 6.08 C ATOM 1101 CG LEU A 69 5.865 3.096 1.058 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.636 1.710 0.431 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.673 4.331 0.162 1.00 6.87 C ATOM 0 H LEU A 69 4.699 3.737 4.986 1.00 5.29 H new ATOM 0 HA LEU A 69 5.307 1.450 3.151 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.990 3.164 2.116 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.138 4.389 2.620 1.00 6.08 H new ATOM 0 HG LEU A 69 6.931 3.015 1.269 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.249 1.610 -0.465 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.912 0.936 1.147 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.585 1.600 0.166 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.240 4.203 -0.760 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.616 4.448 -0.075 1.00 6.87 H new ATOM 0 HD23 LEU A 69 6.027 5.219 0.686 1.00 6.87 H new ATOM 1115 N VAL A 70 7.634 1.341 3.756 1.00 4.29 N ATOM 1116 CA VAL A 70 8.949 1.137 4.280 1.00 6.26 C ATOM 1117 C VAL A 70 9.776 0.622 3.153 1.00 9.22 C ATOM 1118 O VAL A 70 9.363 0.814 2.010 1.00 9.36 O ATOM 1119 CB VAL A 70 9.015 0.147 5.404 1.00 8.69 C ATOM 1120 CG1 VAL A 70 8.189 0.795 6.528 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.463 -1.259 5.112 1.00 8.54 C ATOM 0 H VAL A 70 7.300 0.547 3.209 1.00 4.29 H new ATOM 0 HA VAL A 70 9.300 2.084 4.689 1.00 6.26 H new ATOM 0 HB VAL A 70 10.063 -0.040 5.637 1.00 8.69 H new ATOM 0 HG11 VAL A 70 8.180 0.138 7.398 1.00 9.76 H new ATOM 0 HG12 VAL A 70 8.633 1.752 6.800 1.00 9.76 H new ATOM 0 HG13 VAL A 70 7.167 0.954 6.183 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.566 -1.882 6.000 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.410 -1.187 4.840 1.00 8.54 H new ATOM 0 HG23 VAL A 70 9.021 -1.705 4.289 1.00 8.54 H new ATOM 1131 N LEU A 71 11.004 0.120 3.373 1.00 12.71 N ATOM 1132 CA LEU A 71 11.876 -0.169 2.277 1.00 16.06 C ATOM 1133 C LEU A 71 11.590 -1.583 1.906 1.00 18.09 C ATOM 1134 O LEU A 71 11.627 -2.504 2.721 1.00 19.26 O ATOM 1135 CB LEU A 71 13.352 -0.042 2.687 1.00 17.10 C ATOM 1136 CG LEU A 71 14.351 0.090 1.526 1.00 19.37 C ATOM 1137 CD1 LEU A 71 14.269 1.458 0.826 1.00 19.57 C ATOM 1138 CD2 LEU A 71 15.809 -0.073 1.988 1.00 17.51 C ATOM 0 H LEU A 71 11.389 -0.083 4.295 1.00 12.71 H new ATOM 0 HA LEU A 71 11.710 0.528 1.455 1.00 16.06 H new ATOM 0 HB2 LEU A 71 13.458 0.828 3.335 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.623 -0.916 3.279 1.00 17.10 H new ATOM 0 HG LEU A 71 14.071 -0.708 0.838 1.00 19.37 H new ATOM 0 HD11 LEU A 71 14.996 1.496 0.015 1.00 19.57 H new ATOM 0 HD12 LEU A 71 13.267 1.600 0.422 1.00 19.57 H new ATOM 0 HD13 LEU A 71 14.486 2.248 1.545 1.00 19.57 H new ATOM 0 HD21 LEU A 71 16.476 0.029 1.132 1.00 17.51 H new ATOM 0 HD22 LEU A 71 16.045 0.695 2.725 1.00 17.51 H new ATOM 0 HD23 LEU A 71 15.941 -1.058 2.436 1.00 17.51 H new ATOM 1150 N ARG A 72 11.357 -1.800 0.599 1.00 21.47 N ATOM 1151 CA ARG A 72 11.575 -3.134 0.132 1.00 25.83 C ATOM 1152 C ARG A 72 12.971 -3.317 -0.354 1.00 27.74 C ATOM 1153 O ARG A 72 13.513 -2.573 -1.170 1.00 30.65 O ATOM 1154 CB ARG A 72 10.775 -3.508 -1.127 1.00 28.49 C ATOM 1155 CG ARG A 72 10.800 -4.949 -1.639 1.00 31.79 C ATOM 1156 CD ARG A 72 9.866 -5.313 -2.795 1.00 34.05 C ATOM 1157 NE ARG A 72 9.393 -6.707 -2.566 1.00 35.08 N ATOM 1158 CZ ARG A 72 8.588 -7.359 -3.455 1.00 34.67 C ATOM 1159 NH1 ARG A 72 8.082 -6.782 -4.584 1.00 35.02 N ATOM 1160 NH2 ARG A 72 8.259 -8.644 -3.134 1.00 34.97 N ATOM 0 H ARG A 72 11.043 -1.114 -0.087 1.00 21.47 H new ATOM 0 HA ARG A 72 11.295 -3.734 0.998 1.00 25.83 H new ATOM 0 HB2 ARG A 72 9.733 -3.246 -0.941 1.00 28.49 H new ATOM 0 HB3 ARG A 72 11.125 -2.868 -1.937 1.00 28.49 H new ATOM 0 HG2 ARG A 72 11.820 -5.177 -1.949 1.00 31.79 H new ATOM 0 HG3 ARG A 72 10.567 -5.606 -0.801 1.00 31.79 H new ATOM 0 HD2 ARG A 72 9.022 -4.624 -2.838 1.00 34.05 H new ATOM 0 HD3 ARG A 72 10.388 -5.237 -3.749 1.00 34.05 H new ATOM 0 HE ARG A 72 9.681 -7.191 -1.715 1.00 35.08 H new ATOM 0 HH11 ARG A 72 8.301 -5.810 -4.802 1.00 35.02 H new ATOM 0 HH12 ARG A 72 7.485 -7.323 -5.210 1.00 35.02 H new ATOM 0 HH21 ARG A 72 8.612 -9.061 -2.272 1.00 34.97 H new ATOM 0 HH22 ARG A 72 7.660 -9.188 -3.756 1.00 34.97 H new ATOM 1174 N LEU A 73 13.591 -4.279 0.352 1.00 28.93 N ATOM 1175 CA LEU A 73 14.929 -4.748 0.169 1.00 30.76 C ATOM 1176 C LEU A 73 14.806 -6.038 -0.567 1.00 32.18 C ATOM 1177 O LEU A 73 13.821 -6.762 -0.432 1.00 32.31 O ATOM 1178 CB LEU A 73 15.632 -4.927 1.525 1.00 30.53 C ATOM 1179 CG LEU A 73 16.335 -3.631 1.963 1.00 30.16 C ATOM 1180 CD1 LEU A 73 16.711 -3.613 3.455 1.00 29.11 C ATOM 1181 CD2 LEU A 73 17.573 -3.248 1.136 1.00 29.57 C ATOM 0 H LEU A 73 13.117 -4.767 1.112 1.00 28.93 H new ATOM 0 HA LEU A 73 15.538 -4.038 -0.391 1.00 30.76 H new ATOM 0 HB2 LEU A 73 14.902 -5.221 2.280 1.00 30.53 H new ATOM 0 HB3 LEU A 73 16.362 -5.734 1.456 1.00 30.53 H new ATOM 0 HG LEU A 73 15.569 -2.879 1.773 1.00 30.16 H new ATOM 0 HD11 LEU A 73 17.203 -2.670 3.695 1.00 29.11 H new ATOM 0 HD12 LEU A 73 15.809 -3.716 4.059 1.00 29.11 H new ATOM 0 HD13 LEU A 73 17.388 -4.440 3.670 1.00 29.11 H new ATOM 0 HD21 LEU A 73 17.996 -2.321 1.523 1.00 29.57 H new ATOM 0 HD22 LEU A 73 18.316 -4.043 1.204 1.00 29.57 H new ATOM 0 HD23 LEU A 73 17.285 -3.108 0.094 1.00 29.57 H new ATOM 1193 N ARG A 74 15.711 -6.428 -1.482 1.00 33.82 N ATOM 1194 CA ARG A 74 15.693 -7.625 -2.264 1.00 35.33 C ATOM 1195 C ARG A 74 15.606 -8.882 -1.468 1.00 36.22 C ATOM 1196 O ARG A 74 16.527 -9.234 -0.733 1.00 36.70 O ATOM 1197 CB ARG A 74 16.973 -7.699 -3.114 1.00 36.91 C ATOM 1198 CG ARG A 74 16.826 -8.493 -4.413 1.00 38.62 C ATOM 1199 CD ARG A 74 16.140 -7.635 -5.478 1.00 39.75 C ATOM 1200 NE ARG A 74 15.689 -8.659 -6.463 1.00 41.13 N ATOM 1201 CZ ARG A 74 14.877 -8.376 -7.524 1.00 41.91 C ATOM 1202 NH1 ARG A 74 14.742 -7.106 -8.005 1.00 42.75 N ATOM 1203 NH2 ARG A 74 14.060 -9.348 -8.026 1.00 41.93 N ATOM 0 H ARG A 74 16.527 -5.853 -1.692 1.00 33.82 H new ATOM 0 HA ARG A 74 14.790 -7.563 -2.871 1.00 35.33 H new ATOM 0 HB2 ARG A 74 17.292 -6.685 -3.357 1.00 36.91 H new ATOM 0 HB3 ARG A 74 17.766 -8.148 -2.516 1.00 36.91 H new ATOM 0 HG2 ARG A 74 17.807 -8.811 -4.767 1.00 38.62 H new ATOM 0 HG3 ARG A 74 16.244 -9.397 -4.232 1.00 38.62 H new ATOM 0 HD2 ARG A 74 15.304 -7.068 -5.068 1.00 39.75 H new ATOM 0 HD3 ARG A 74 16.825 -6.915 -5.924 1.00 39.75 H new ATOM 0 HE ARG A 74 16.003 -9.621 -6.338 1.00 41.13 H new ATOM 0 HH11 ARG A 74 15.255 -6.339 -7.570 1.00 42.75 H new ATOM 0 HH12 ARG A 74 14.128 -6.924 -8.799 1.00 42.75 H new ATOM 0 HH21 ARG A 74 14.059 -10.279 -7.609 1.00 41.93 H new ATOM 0 HH22 ARG A 74 13.451 -9.143 -8.818 1.00 41.93 H new ATOM 1217 N GLY A 75 14.474 -9.605 -1.538 1.00 36.31 N ATOM 1218 CA GLY A 75 14.168 -10.720 -0.696 1.00 36.07 C ATOM 1219 C GLY A 75 12.981 -10.703 0.204 1.00 36.16 C ATOM 1220 O GLY A 75 13.222 -10.758 1.409 1.00 36.26 O ATOM 0 H GLY A 75 13.737 -9.402 -2.214 1.00 36.31 H new ATOM 0 HA2 GLY A 75 14.063 -11.590 -1.345 1.00 36.07 H new ATOM 0 HA3 GLY A 75 15.042 -10.894 -0.068 1.00 36.07 H new ATOM 1224 N GLY A 76 11.795 -10.767 -0.427 1.00 36.05 N ATOM 1225 CA GLY A 76 10.629 -10.487 0.353 1.00 36.19 C ATOM 1226 C GLY A 76 9.633 -9.603 -0.385 1.00 36.20 C ATOM 1227 O GLY A 76 8.531 -10.070 -0.779 1.00 36.13 O ATOM 1228 OXT GLY A 76 9.977 -8.402 -0.547 1.00 36.27 O ATOM 0 H GLY A 76 11.644 -10.996 -1.409 1.00 36.05 H new ATOM 0 HA2 GLY A 76 10.145 -11.425 0.626 1.00 36.19 H new ATOM 0 HA3 GLY A 76 10.925 -9.999 1.281 1.00 36.19 H new TER 1232 GLY A 76