USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 627 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 1 (180deg=0.609) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= -0.026 (180deg=-0.222) USER MOD Single : A 7 THR OG1 : rot -99:sc= 0.741 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -102:sc= 0.111 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 25 ASN : amide:sc= -3.17! K(o=-3.2!,f=-2.5) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.348 K(o=-0.35,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -3.67! K(o=-3.7!,f=-0.079) USER MOD Single : A 41 GLN : amide:sc= -1.46 K(o=-1.5,f=-7.2!) 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) USER MOD Single : A 55 THR OG1 : rot -72:sc= 1.45 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -50:sc= -0.117 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -110:sc= -0.216 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.72 K(o=-0.72,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.162 24.790 2.986 1.00 49.53 N ATOM 2 CA MET A 1 26.041 25.705 3.261 1.00 50.07 C ATOM 3 C MET A 1 26.554 27.007 3.923 1.00 50.51 C ATOM 4 O MET A 1 27.627 26.985 4.524 1.00 49.49 O ATOM 5 CB MET A 1 25.009 25.025 4.158 1.00 49.82 C ATOM 6 CG MET A 1 24.493 23.695 3.627 1.00 49.86 C ATOM 7 SD MET A 1 23.770 23.836 1.980 1.00 49.91 S ATOM 8 CE MET A 1 23.661 22.112 1.509 1.00 49.78 C ATOM 0 H1 MET A 1 26.838 24.020 2.366 1.00 49.53 H new ATOM 0 H2 MET A 1 27.929 25.312 2.517 1.00 49.53 H new ATOM 0 H3 MET A 1 27.511 24.390 3.880 1.00 49.53 H new ATOM 0 HA MET A 1 25.565 25.963 2.315 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.451 24.863 5.141 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.164 25.700 4.295 1.00 49.82 H new ATOM 0 HG2 MET A 1 25.313 22.977 3.599 1.00 49.86 H new ATOM 0 HG3 MET A 1 23.746 23.299 4.315 1.00 49.86 H new ATOM 0 HE1 MET A 1 23.232 22.034 0.510 1.00 49.78 H new ATOM 0 HE2 MET A 1 24.658 21.671 1.511 1.00 49.78 H new ATOM 0 HE3 MET A 1 23.027 21.580 2.219 1.00 49.78 H new ATOM 18 N GLN A 2 25.765 28.028 3.772 1.00 49.53 N ATOM 19 CA GLN A 2 26.138 29.334 4.403 1.00 50.07 C ATOM 20 C GLN A 2 25.631 29.236 5.833 1.00 50.51 C ATOM 21 O GLN A 2 24.727 28.426 6.185 1.00 49.49 O ATOM 22 CB GLN A 2 25.488 30.513 3.674 1.00 49.82 C ATOM 23 CG GLN A 2 26.100 30.821 2.318 1.00 49.82 C ATOM 24 CD GLN A 2 25.420 31.988 1.628 1.00 50.55 C ATOM 25 OE1 GLN A 2 24.317 31.853 1.091 1.00 49.45 O ATOM 26 NE2 GLN A 2 26.077 33.143 1.635 1.00 49.38 N ATOM 0 H GLN A 2 24.889 28.024 3.249 1.00 49.53 H new ATOM 0 HA GLN A 2 27.212 29.512 4.357 1.00 50.07 H new ATOM 0 HB2 GLN A 2 24.427 30.303 3.542 1.00 49.82 H new ATOM 0 HB3 GLN A 2 25.562 31.400 4.303 1.00 49.82 H new ATOM 0 HG2 GLN A 2 27.160 31.044 2.443 1.00 49.82 H new ATOM 0 HG3 GLN A 2 26.033 29.938 1.683 1.00 49.82 H new ATOM 0 HE21 GLN A 2 26.987 33.209 2.091 1.00 49.38 H new ATOM 0 HE22 GLN A 2 25.671 33.963 1.184 1.00 49.38 H new ATOM 35 N ILE A 3 26.249 30.020 6.703 1.00 49.53 N ATOM 36 CA ILE A 3 25.766 30.136 8.093 1.00 50.07 C ATOM 37 C ILE A 3 26.286 31.539 8.524 1.00 50.51 C ATOM 38 O ILE A 3 27.351 31.887 8.040 1.00 49.49 O ATOM 39 CB ILE A 3 26.337 29.044 9.016 1.00 49.91 C ATOM 40 CG1 ILE A 3 25.547 28.982 10.324 1.00 49.82 C ATOM 41 CG2 ILE A 3 27.812 29.298 9.291 1.00 49.73 C ATOM 42 CD1 ILE A 3 25.704 27.679 11.073 1.00 49.73 C ATOM 0 H ILE A 3 27.073 30.581 6.488 1.00 49.53 H new ATOM 0 HA ILE A 3 24.685 30.017 8.162 1.00 50.07 H new ATOM 0 HB ILE A 3 26.243 28.081 8.513 1.00 49.91 H new ATOM 0 HG12 ILE A 3 25.866 29.801 10.969 1.00 49.82 H new ATOM 0 HG13 ILE A 3 24.491 29.140 10.107 1.00 49.82 H new ATOM 0 HG21 ILE A 3 28.200 28.517 9.945 1.00 49.73 H new ATOM 0 HG22 ILE A 3 28.364 29.291 8.351 1.00 49.73 H new ATOM 0 HG23 ILE A 3 27.930 30.268 9.774 1.00 49.73 H new ATOM 0 HD11 ILE A 3 25.114 27.712 11.989 1.00 49.73 H new ATOM 0 HD12 ILE A 3 25.358 26.856 10.448 1.00 49.73 H new ATOM 0 HD13 ILE A 3 26.754 27.527 11.323 1.00 49.73 H new ATOM 54 N PHE A 4 25.504 32.148 9.384 1.00 49.53 N ATOM 55 CA PHE A 4 25.933 33.514 9.869 1.00 50.07 C ATOM 56 C PHE A 4 26.473 33.606 11.268 1.00 50.51 C ATOM 57 O PHE A 4 25.679 33.334 12.180 1.00 49.49 O ATOM 58 CB PHE A 4 24.769 34.495 9.721 1.00 49.82 C ATOM 59 CG PHE A 4 24.370 34.752 8.295 1.00 50.00 C ATOM 60 CD1 PHE A 4 23.602 33.831 7.598 1.00 49.88 C ATOM 61 CD2 PHE A 4 24.761 35.914 7.648 1.00 49.88 C ATOM 62 CE1 PHE A 4 23.235 34.065 6.286 1.00 49.88 C ATOM 63 CE2 PHE A 4 24.394 36.152 6.338 1.00 49.88 C ATOM 64 CZ PHE A 4 23.630 35.226 5.656 1.00 49.88 C ATOM 0 H PHE A 4 24.628 31.787 9.761 1.00 49.53 H new ATOM 0 HA PHE A 4 26.782 33.763 9.233 1.00 50.07 H new ATOM 0 HB2 PHE A 4 23.908 34.107 10.265 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.042 35.441 10.188 1.00 49.82 H new ATOM 0 HD1 PHE A 4 23.287 32.920 8.086 1.00 49.88 H new ATOM 0 HD2 PHE A 4 25.360 36.642 8.175 1.00 49.88 H new ATOM 0 HE1 PHE A 4 22.639 33.338 5.754 1.00 49.88 H new ATOM 0 HE2 PHE A 4 24.705 37.062 5.847 1.00 49.88 H new ATOM 0 HZ PHE A 4 23.342 35.411 4.631 1.00 49.88 H new ATOM 74 N VAL A 5 27.720 34.011 11.491 1.00 49.53 N ATOM 75 CA VAL A 5 28.239 34.195 12.831 1.00 50.07 C ATOM 76 C VAL A 5 28.288 35.651 13.354 1.00 50.51 C ATOM 77 O VAL A 5 28.712 36.460 12.518 1.00 49.49 O ATOM 78 CB VAL A 5 29.652 33.595 12.955 1.00 49.91 C ATOM 79 CG1 VAL A 5 30.204 33.813 14.355 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.631 32.112 12.617 1.00 49.73 C ATOM 0 H VAL A 5 28.390 34.218 10.750 1.00 49.53 H new ATOM 0 HA VAL A 5 27.512 33.673 13.454 1.00 50.07 H new ATOM 0 HB VAL A 5 30.305 34.103 12.245 1.00 49.91 H new ATOM 0 HG11 VAL A 5 31.203 33.382 14.423 1.00 49.73 H new ATOM 0 HG12 VAL A 5 30.254 34.882 14.564 1.00 49.73 H new ATOM 0 HG13 VAL A 5 29.551 33.332 15.083 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.637 31.703 12.710 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.964 31.592 13.304 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.277 31.977 11.595 1.00 49.73 H new ATOM 90 N LYS A 6 27.860 35.863 14.550 1.00 49.53 N ATOM 91 CA LYS A 6 27.835 37.256 15.114 1.00 50.07 C ATOM 92 C LYS A 6 29.107 37.596 15.839 1.00 50.51 C ATOM 93 O LYS A 6 29.702 36.724 16.516 1.00 49.49 O ATOM 94 CB LYS A 6 26.637 37.430 16.050 1.00 49.82 C ATOM 95 CG LYS A 6 25.284 37.376 15.357 1.00 49.82 C ATOM 96 CD LYS A 6 25.170 38.444 14.278 1.00 49.82 C ATOM 97 CE LYS A 6 23.784 38.456 13.652 1.00 50.21 C ATOM 98 NZ LYS A 6 22.735 38.848 14.632 1.00 49.70 N ATOM 0 H LYS A 6 27.520 35.137 15.180 1.00 49.53 H new ATOM 0 HA LYS A 6 27.741 37.943 14.273 1.00 50.07 H new ATOM 0 HB2 LYS A 6 26.672 36.652 16.813 1.00 49.82 H new ATOM 0 HB3 LYS A 6 26.730 38.386 16.565 1.00 49.82 H new ATOM 0 HG2 LYS A 6 25.140 36.391 14.913 1.00 49.82 H new ATOM 0 HG3 LYS A 6 24.491 37.513 16.092 1.00 49.82 H new ATOM 0 HD2 LYS A 6 25.385 39.422 14.708 1.00 49.82 H new ATOM 0 HD3 LYS A 6 25.918 38.264 13.506 1.00 49.82 H new ATOM 0 HE2 LYS A 6 23.772 39.149 12.811 1.00 50.21 H new ATOM 0 HE3 LYS A 6 23.557 37.467 13.254 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 21.855 39.074 14.126 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 22.564 38.061 15.290 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 23.052 39.683 15.165 1.00 49.70 H new ATOM 112 N THR A 7 29.558 38.866 15.736 1.00 49.53 N ATOM 113 CA THR A 7 30.796 39.269 16.420 1.00 50.07 C ATOM 114 C THR A 7 30.593 40.629 17.091 1.00 50.51 C ATOM 115 O THR A 7 29.779 41.405 16.585 1.00 49.49 O ATOM 116 CB THR A 7 31.986 39.355 15.446 1.00 50.14 C ATOM 117 OG1 THR A 7 31.734 40.372 14.468 1.00 49.34 O ATOM 118 CG2 THR A 7 32.195 38.022 14.743 1.00 49.73 C ATOM 0 H THR A 7 29.098 39.604 15.203 1.00 49.53 H new ATOM 0 HA THR A 7 31.025 38.509 17.167 1.00 50.07 H new ATOM 0 HB THR A 7 32.884 39.601 16.013 1.00 50.14 H new ATOM 0 HG1 THR A 7 31.403 39.958 13.643 1.00 49.34 H new ATOM 0 HG21 THR A 7 33.040 38.100 14.058 1.00 49.73 H new ATOM 0 HG22 THR A 7 32.398 37.248 15.483 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.297 37.761 14.183 1.00 49.73 H new ATOM 126 N LEU A 8 31.347 40.926 18.127 1.00 49.53 N ATOM 127 CA LEU A 8 31.178 42.203 18.856 1.00 50.07 C ATOM 128 C LEU A 8 31.586 43.455 18.107 1.00 50.51 C ATOM 129 O LEU A 8 31.300 44.573 18.575 1.00 49.49 O ATOM 130 CB LEU A 8 31.939 42.135 20.187 1.00 49.82 C ATOM 131 CG LEU A 8 31.571 40.950 21.089 1.00 49.91 C ATOM 132 CD1 LEU A 8 32.593 40.810 22.209 1.00 49.73 C ATOM 133 CD2 LEU A 8 30.175 41.156 21.656 1.00 49.73 C ATOM 0 H LEU A 8 32.081 40.320 18.495 1.00 49.53 H new ATOM 0 HA LEU A 8 30.102 42.302 19.002 1.00 50.07 H new ATOM 0 HB2 LEU A 8 33.007 42.092 19.975 1.00 49.82 H new ATOM 0 HB3 LEU A 8 31.761 43.059 20.737 1.00 49.82 H new ATOM 0 HG LEU A 8 31.579 40.031 20.503 1.00 49.91 H new ATOM 0 HD11 LEU A 8 32.323 39.966 22.844 1.00 49.73 H new ATOM 0 HD12 LEU A 8 33.581 40.641 21.781 1.00 49.73 H new ATOM 0 HD13 LEU A 8 32.607 41.723 22.805 1.00 49.73 H new ATOM 0 HD21 LEU A 8 29.915 40.314 22.297 1.00 49.73 H new ATOM 0 HD22 LEU A 8 30.151 42.076 22.239 1.00 49.73 H new ATOM 0 HD23 LEU A 8 29.457 41.226 20.839 1.00 49.73 H new ATOM 145 N THR A 9 32.224 43.300 16.930 1.00 49.53 N ATOM 146 CA THR A 9 32.607 44.570 16.224 1.00 50.07 C ATOM 147 C THR A 9 31.429 44.964 15.386 1.00 50.51 C ATOM 148 O THR A 9 31.414 46.026 14.735 1.00 49.49 O ATOM 149 CB THR A 9 33.848 44.390 15.332 1.00 50.14 C ATOM 150 OG1 THR A 9 34.984 44.074 16.148 1.00 49.34 O ATOM 151 CG2 THR A 9 34.131 45.660 14.546 1.00 49.73 C ATOM 0 H THR A 9 32.470 42.421 16.476 1.00 49.53 H new ATOM 0 HA THR A 9 32.864 45.335 16.956 1.00 50.07 H new ATOM 0 HB THR A 9 33.657 43.577 14.631 1.00 50.14 H new ATOM 0 HG1 THR A 9 35.773 43.958 15.579 1.00 49.34 H new ATOM 0 HG21 THR A 9 35.012 45.513 13.921 1.00 49.73 H new ATOM 0 HG22 THR A 9 33.274 45.896 13.915 1.00 49.73 H new ATOM 0 HG23 THR A 9 34.310 46.483 15.237 1.00 49.73 H new ATOM 159 N GLY A 10 30.366 44.222 15.442 1.00 49.53 N ATOM 160 CA GLY A 10 29.159 44.486 14.692 1.00 49.98 C ATOM 161 C GLY A 10 29.285 44.134 13.240 1.00 50.51 C ATOM 162 O GLY A 10 28.537 44.668 12.392 1.00 49.49 O ATOM 0 H GLY A 10 30.304 43.388 16.027 1.00 49.53 H new ATOM 0 HA2 GLY A 10 28.336 43.920 15.128 1.00 49.98 H new ATOM 0 HA3 GLY A 10 28.904 45.542 14.784 1.00 49.98 H new ATOM 166 N LYS A 11 30.271 43.335 12.921 1.00 49.53 N ATOM 167 CA LYS A 11 30.456 42.821 11.570 1.00 50.07 C ATOM 168 C LYS A 11 30.054 41.335 11.428 1.00 50.51 C ATOM 169 O LYS A 11 30.829 40.504 11.888 1.00 49.49 O ATOM 170 CB LYS A 11 31.908 43.009 11.129 1.00 49.82 C ATOM 171 CG LYS A 11 32.278 42.264 9.853 1.00 49.82 C ATOM 172 CD LYS A 11 31.419 42.713 8.680 1.00 49.82 C ATOM 173 CE LYS A 11 31.803 41.984 7.400 1.00 50.21 C ATOM 174 NZ LYS A 11 30.969 42.413 6.245 1.00 49.70 N ATOM 0 H LYS A 11 30.975 43.016 13.586 1.00 49.53 H new ATOM 0 HA LYS A 11 29.791 43.395 10.924 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.096 44.073 10.982 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.565 42.677 11.933 1.00 49.82 H new ATOM 0 HG2 LYS A 11 33.330 42.434 9.622 1.00 49.82 H new ATOM 0 HG3 LYS A 11 32.155 41.192 10.007 1.00 49.82 H new ATOM 0 HD2 LYS A 11 30.368 42.528 8.905 1.00 49.82 H new ATOM 0 HD3 LYS A 11 31.530 43.788 8.536 1.00 49.82 H new ATOM 0 HE2 LYS A 11 32.854 42.170 7.178 1.00 50.21 H new ATOM 0 HE3 LYS A 11 31.694 40.910 7.547 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 31.262 41.893 5.393 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 29.968 42.212 6.446 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 31.093 43.434 6.088 1.00 49.70 H new ATOM 188 N THR A 12 28.932 41.090 10.777 1.00 49.53 N ATOM 189 CA THR A 12 28.566 39.680 10.548 1.00 50.07 C ATOM 190 C THR A 12 29.603 38.953 9.694 1.00 50.51 C ATOM 191 O THR A 12 30.039 39.571 8.720 1.00 49.49 O ATOM 192 CB THR A 12 27.188 39.559 9.870 1.00 50.14 C ATOM 193 OG1 THR A 12 26.187 40.148 10.711 1.00 49.34 O ATOM 194 CG2 THR A 12 26.842 38.099 9.623 1.00 49.73 C ATOM 0 H THR A 12 28.285 41.790 10.412 1.00 49.53 H new ATOM 0 HA THR A 12 28.528 39.212 11.532 1.00 50.07 H new ATOM 0 HB THR A 12 27.222 40.080 8.913 1.00 50.14 H new ATOM 0 HG1 THR A 12 25.311 40.072 10.279 1.00 49.34 H new ATOM 0 HG21 THR A 12 25.865 38.033 9.144 1.00 49.73 H new ATOM 0 HG22 THR A 12 27.595 37.651 8.975 1.00 49.73 H new ATOM 0 HG23 THR A 12 26.817 37.565 10.573 1.00 49.73 H new ATOM 202 N ILE A 13 29.829 37.678 10.006 1.00 49.53 N ATOM 203 CA ILE A 13 30.842 36.984 9.155 1.00 50.07 C ATOM 204 C ILE A 13 30.056 35.828 8.603 1.00 50.51 C ATOM 205 O ILE A 13 29.217 35.248 9.320 1.00 49.49 O ATOM 206 CB ILE A 13 32.053 36.479 9.960 1.00 49.91 C ATOM 207 CG1 ILE A 13 32.798 37.655 10.599 1.00 49.82 C ATOM 208 CG2 ILE A 13 32.987 35.675 9.068 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.980 37.241 11.446 1.00 49.73 C ATOM 0 H ILE A 13 29.390 37.137 10.751 1.00 49.53 H new ATOM 0 HA ILE A 13 31.273 37.642 8.401 1.00 50.07 H new ATOM 0 HB ILE A 13 31.693 35.827 10.756 1.00 49.91 H new ATOM 0 HG12 ILE A 13 33.144 38.325 9.812 1.00 49.82 H new ATOM 0 HG13 ILE A 13 32.101 38.222 11.216 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.838 35.326 9.653 1.00 49.73 H new ATOM 0 HG22 ILE A 13 32.452 34.818 8.659 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.342 36.304 8.252 1.00 49.73 H new ATOM 0 HD11 ILE A 13 34.456 38.128 11.864 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.639 36.596 12.256 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.698 36.700 10.829 1.00 49.73 H new ATOM 221 N THR A 14 30.266 35.480 7.354 1.00 49.53 N ATOM 222 CA THR A 14 29.509 34.304 6.833 1.00 50.07 C ATOM 223 C THR A 14 30.506 33.241 6.452 1.00 50.51 C ATOM 224 O THR A 14 31.380 33.474 5.577 1.00 49.49 O ATOM 225 CB THR A 14 28.647 34.667 5.609 1.00 50.14 C ATOM 226 OG1 THR A 14 27.788 35.767 5.937 1.00 49.34 O ATOM 227 CG2 THR A 14 27.801 33.478 5.182 1.00 49.73 C ATOM 0 H THR A 14 30.901 35.938 6.700 1.00 49.53 H new ATOM 0 HA THR A 14 28.831 33.950 7.610 1.00 50.07 H new ATOM 0 HB THR A 14 29.307 34.944 4.787 1.00 50.14 H new ATOM 0 HG1 THR A 14 26.882 35.435 6.110 1.00 49.34 H new ATOM 0 HG21 THR A 14 27.198 33.752 4.316 1.00 49.73 H new ATOM 0 HG22 THR A 14 28.452 32.643 4.921 1.00 49.73 H new ATOM 0 HG23 THR A 14 27.145 33.185 6.002 1.00 49.73 H new ATOM 235 N LEU A 15 30.375 32.035 6.982 1.00 49.53 N ATOM 236 CA LEU A 15 31.292 30.956 6.687 1.00 50.07 C ATOM 237 C LEU A 15 30.638 29.796 5.927 1.00 50.51 C ATOM 238 O LEU A 15 29.458 29.597 6.186 1.00 49.49 O ATOM 239 CB LEU A 15 31.926 30.440 7.985 1.00 49.82 C ATOM 240 CG LEU A 15 32.761 31.469 8.758 1.00 49.91 C ATOM 241 CD1 LEU A 15 33.219 30.880 10.086 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.955 31.892 7.915 1.00 49.73 C ATOM 0 H LEU A 15 29.628 31.781 7.629 1.00 49.53 H new ATOM 0 HA LEU A 15 32.059 31.367 6.030 1.00 50.07 H new ATOM 0 HB2 LEU A 15 31.133 30.075 8.638 1.00 49.82 H new ATOM 0 HB3 LEU A 15 32.560 29.586 7.746 1.00 49.82 H new ATOM 0 HG LEU A 15 32.151 32.348 8.968 1.00 49.91 H new ATOM 0 HD11 LEU A 15 33.811 31.618 10.627 1.00 49.73 H new ATOM 0 HD12 LEU A 15 32.349 30.606 10.682 1.00 49.73 H new ATOM 0 HD13 LEU A 15 33.826 29.994 9.901 1.00 49.73 H new ATOM 0 HD21 LEU A 15 34.548 32.623 8.465 1.00 49.73 H new ATOM 0 HD22 LEU A 15 34.570 31.020 7.692 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.604 32.336 6.984 1.00 49.73 H new ATOM 254 N GLU A 16 31.378 29.252 4.992 1.00 49.53 N ATOM 255 CA GLU A 16 30.836 28.027 4.316 1.00 50.07 C ATOM 256 C GLU A 16 31.315 26.714 4.895 1.00 50.51 C ATOM 257 O GLU A 16 32.496 26.599 5.220 1.00 49.49 O ATOM 258 CB GLU A 16 31.160 28.071 2.821 1.00 49.82 C ATOM 259 CG GLU A 16 30.314 29.053 2.022 1.00 49.72 C ATOM 260 CD GLU A 16 30.825 29.196 0.616 1.00 50.62 C ATOM 261 OE1 GLU A 16 31.789 28.548 0.285 1.00 49.24 O ATOM 262 OE2 GLU A 16 30.186 29.867 -0.161 1.00 49.24 O ATOM 0 H GLU A 16 32.291 29.581 4.677 1.00 49.53 H new ATOM 0 HA GLU A 16 29.760 28.054 4.490 1.00 50.07 H new ATOM 0 HB2 GLU A 16 32.211 28.331 2.697 1.00 49.82 H new ATOM 0 HB3 GLU A 16 31.028 27.073 2.404 1.00 49.82 H new ATOM 0 HG2 GLU A 16 29.279 28.712 2.002 1.00 49.72 H new ATOM 0 HG3 GLU A 16 30.320 30.026 2.514 1.00 49.72 H new ATOM 269 N VAL A 17 30.326 25.873 5.155 1.00 49.53 N ATOM 270 CA VAL A 17 30.561 24.566 5.759 1.00 50.07 C ATOM 271 C VAL A 17 29.702 23.414 5.215 1.00 50.51 C ATOM 272 O VAL A 17 28.628 23.623 4.606 1.00 49.49 O ATOM 273 CB VAL A 17 30.370 24.629 7.287 1.00 49.91 C ATOM 274 CG1 VAL A 17 31.394 25.563 7.913 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.959 25.082 7.629 1.00 49.73 C ATOM 0 H VAL A 17 29.346 26.072 4.956 1.00 49.53 H new ATOM 0 HA VAL A 17 31.591 24.338 5.486 1.00 50.07 H new ATOM 0 HB VAL A 17 30.520 23.629 7.694 1.00 49.91 H new ATOM 0 HG11 VAL A 17 31.245 25.596 8.992 1.00 49.73 H new ATOM 0 HG12 VAL A 17 32.398 25.199 7.696 1.00 49.73 H new ATOM 0 HG13 VAL A 17 31.274 26.564 7.500 1.00 49.73 H new ATOM 0 HG21 VAL A 17 28.842 25.121 8.712 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.783 26.072 7.209 1.00 49.73 H new ATOM 0 HG23 VAL A 17 28.239 24.378 7.211 1.00 49.73 H new ATOM 285 N GLU A 18 30.196 22.237 5.526 1.00 49.53 N ATOM 286 CA GLU A 18 29.522 20.972 5.233 1.00 50.07 C ATOM 287 C GLU A 18 28.685 20.606 6.450 1.00 50.51 C ATOM 288 O GLU A 18 29.117 20.750 7.583 1.00 49.49 O ATOM 289 CB GLU A 18 30.535 19.868 4.919 1.00 49.82 C ATOM 290 CG GLU A 18 31.235 20.021 3.576 1.00 49.72 C ATOM 291 CD GLU A 18 30.435 19.395 2.468 1.00 50.62 C ATOM 292 OE1 GLU A 18 29.981 18.289 2.641 1.00 49.24 O ATOM 293 OE2 GLU A 18 30.181 20.064 1.495 1.00 49.24 O ATOM 0 H GLU A 18 31.093 22.119 5.998 1.00 49.53 H new ATOM 0 HA GLU A 18 28.888 21.079 4.353 1.00 50.07 H new ATOM 0 HB2 GLU A 18 31.288 19.847 5.707 1.00 49.82 H new ATOM 0 HB3 GLU A 18 30.024 18.906 4.941 1.00 49.82 H new ATOM 0 HG2 GLU A 18 31.390 21.079 3.363 1.00 49.72 H new ATOM 0 HG3 GLU A 18 32.220 19.558 3.622 1.00 49.72 H new ATOM 300 N PRO A 19 27.462 20.167 6.223 1.00 49.71 N ATOM 301 CA PRO A 19 26.568 19.735 7.299 1.00 50.02 C ATOM 302 C PRO A 19 27.196 18.666 8.159 1.00 50.51 C ATOM 303 O PRO A 19 26.810 18.454 9.317 1.00 49.49 O ATOM 304 CB PRO A 19 25.331 19.191 6.551 1.00 49.82 C ATOM 305 CG PRO A 19 25.327 19.993 5.291 1.00 49.82 C ATOM 306 CD PRO A 19 26.824 20.028 4.890 1.00 50.00 C ATOM 0 HA PRO A 19 26.329 20.546 7.987 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.417 18.123 6.350 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.416 19.335 7.125 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.714 19.528 4.519 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.930 20.995 5.453 1.00 49.82 H new ATOM 0 HD2 PRO A 19 27.136 19.120 4.375 1.00 50.00 H new ATOM 0 HD3 PRO A 19 27.056 20.864 4.231 1.00 50.00 H new ATOM 314 N SER A 20 28.146 17.931 7.605 1.00 49.53 N ATOM 315 CA SER A 20 28.773 16.832 8.357 1.00 50.07 C ATOM 316 C SER A 20 29.854 17.392 9.252 1.00 50.51 C ATOM 317 O SER A 20 30.689 16.602 9.726 1.00 49.49 O ATOM 318 CB SER A 20 29.344 15.800 7.405 1.00 50.05 C ATOM 319 OG SER A 20 30.419 16.305 6.662 1.00 49.34 O ATOM 0 H SER A 20 28.501 18.063 6.658 1.00 49.53 H new ATOM 0 HA SER A 20 28.021 16.340 8.974 1.00 50.07 H new ATOM 0 HB2 SER A 20 29.673 14.928 7.971 1.00 50.05 H new ATOM 0 HB3 SER A 20 28.561 15.462 6.726 1.00 50.05 H new ATOM 0 HG SER A 20 30.759 15.608 6.063 1.00 49.34 H new ATOM 325 N ASP A 21 29.919 18.721 9.357 1.00 49.53 N ATOM 326 CA ASP A 21 30.992 19.287 10.217 1.00 50.07 C ATOM 327 C ASP A 21 30.499 19.295 11.640 1.00 50.51 C ATOM 328 O ASP A 21 29.281 19.213 11.894 1.00 49.49 O ATOM 329 CB ASP A 21 31.366 20.702 9.768 1.00 49.72 C ATOM 330 CG ASP A 21 32.261 20.755 8.536 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.246 20.056 8.511 1.00 49.24 O ATOM 332 OD2 ASP A 21 31.874 21.370 7.572 1.00 49.24 O ATOM 0 H ASP A 21 29.300 19.392 8.902 1.00 49.53 H new ATOM 0 HA ASP A 21 31.890 18.674 10.135 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.452 21.258 9.562 1.00 49.72 H new ATOM 0 HB3 ASP A 21 31.870 21.210 10.590 1.00 49.72 H new ATOM 337 N THR A 22 31.431 19.200 12.574 1.00 49.53 N ATOM 338 CA THR A 22 31.125 19.285 13.982 1.00 50.07 C ATOM 339 C THR A 22 31.312 20.721 14.528 1.00 50.51 C ATOM 340 O THR A 22 32.007 21.526 13.903 1.00 49.49 O ATOM 341 CB THR A 22 31.999 18.320 14.806 1.00 50.14 C ATOM 342 OG1 THR A 22 33.358 18.772 14.791 1.00 49.34 O ATOM 343 CG2 THR A 22 31.929 16.914 14.230 1.00 49.73 C ATOM 0 H THR A 22 32.421 19.062 12.371 1.00 49.53 H new ATOM 0 HA THR A 22 30.077 19.002 14.084 1.00 50.07 H new ATOM 0 HB THR A 22 31.627 18.301 15.830 1.00 50.14 H new ATOM 0 HG1 THR A 22 33.913 18.159 15.317 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.552 16.246 14.824 1.00 49.73 H new ATOM 0 HG22 THR A 22 30.897 16.563 14.252 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.287 16.924 13.201 1.00 49.73 H new ATOM 351 N ILE A 23 30.674 20.930 15.680 1.00 49.53 N ATOM 352 CA ILE A 23 30.808 22.198 16.392 1.00 50.07 C ATOM 353 C ILE A 23 32.266 22.648 16.521 1.00 50.51 C ATOM 354 O ILE A 23 32.618 23.820 16.302 1.00 49.49 O ATOM 355 CB ILE A 23 30.186 22.118 17.798 1.00 49.91 C ATOM 356 CG1 ILE A 23 28.661 22.034 17.702 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.605 23.318 18.634 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.043 23.107 16.835 1.00 49.73 C ATOM 0 H ILE A 23 30.068 20.247 16.134 1.00 49.53 H new ATOM 0 HA ILE A 23 30.272 22.934 15.793 1.00 50.07 H new ATOM 0 HB ILE A 23 30.550 21.215 18.288 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.385 21.057 17.306 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.239 22.103 18.705 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.157 23.246 19.625 1.00 49.73 H new ATOM 0 HG22 ILE A 23 31.691 23.335 18.728 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.268 24.234 18.149 1.00 49.73 H new ATOM 0 HD11 ILE A 23 26.960 22.981 16.816 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.287 24.089 17.241 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.435 23.026 15.821 1.00 49.73 H new ATOM 370 N GLU A 24 33.129 21.730 16.890 1.00 49.53 N ATOM 371 CA GLU A 24 34.591 22.058 16.977 1.00 50.07 C ATOM 372 C GLU A 24 35.243 22.465 15.679 1.00 50.51 C ATOM 373 O GLU A 24 36.366 23.023 15.662 1.00 49.49 O ATOM 374 CB GLU A 24 35.353 20.875 17.577 1.00 49.82 C ATOM 375 CG GLU A 24 36.845 21.115 17.760 1.00 49.72 C ATOM 376 CD GLU A 24 37.515 19.928 18.398 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.835 18.976 18.697 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.720 19.927 18.482 1.00 49.24 O ATOM 0 H GLU A 24 32.886 20.770 17.134 1.00 49.53 H new ATOM 0 HA GLU A 24 34.644 22.938 17.618 1.00 50.07 H new ATOM 0 HB2 GLU A 24 34.915 20.630 18.545 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.213 20.005 16.935 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.304 21.318 16.793 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.000 21.999 18.378 1.00 49.72 H new ATOM 385 N ASN A 25 34.589 22.164 14.569 1.00 49.53 N ATOM 386 CA ASN A 25 35.071 22.472 13.216 1.00 50.07 C ATOM 387 C ASN A 25 34.512 23.851 12.867 1.00 50.51 C ATOM 388 O ASN A 25 34.900 24.460 11.849 1.00 49.49 O ATOM 389 CB ASN A 25 34.633 21.432 12.201 1.00 49.82 C ATOM 390 CG ASN A 25 35.326 21.553 10.872 1.00 50.55 C ATOM 391 OD1 ASN A 25 36.027 22.535 10.603 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.068 20.602 10.012 1.00 49.38 N ATOM 0 H ASN A 25 33.687 21.688 14.575 1.00 49.53 H new ATOM 0 HA ASN A 25 36.161 22.464 13.189 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.820 20.439 12.609 1.00 49.82 H new ATOM 0 HB3 ASN A 25 33.557 21.517 12.049 1.00 49.82 H new ATOM 0 HD21 ASN A 25 35.452 20.650 9.068 1.00 49.38 H new ATOM 0 HD22 ASN A 25 34.483 19.812 10.285 1.00 49.38 H new ATOM 399 N VAL A 26 33.764 24.389 13.820 1.00 49.53 N ATOM 400 CA VAL A 26 33.184 25.717 13.648 1.00 50.07 C ATOM 401 C VAL A 26 34.119 26.719 14.320 1.00 50.51 C ATOM 402 O VAL A 26 34.270 27.859 13.866 1.00 49.49 O ATOM 403 CB VAL A 26 31.779 25.820 14.270 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.227 27.229 14.108 1.00 49.73 C ATOM 405 CG2 VAL A 26 30.841 24.805 13.635 1.00 49.73 C ATOM 0 H VAL A 26 33.546 23.936 14.708 1.00 49.53 H new ATOM 0 HA VAL A 26 33.076 25.924 12.583 1.00 50.07 H new ATOM 0 HB VAL A 26 31.856 25.600 15.335 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.234 27.284 14.553 1.00 49.73 H new ATOM 0 HG12 VAL A 26 31.888 27.938 14.607 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.164 27.475 13.048 1.00 49.73 H new ATOM 0 HG21 VAL A 26 29.852 24.891 14.086 1.00 49.73 H new ATOM 0 HG22 VAL A 26 30.769 24.996 12.564 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.228 23.799 13.799 1.00 49.73 H new ATOM 415 N LYS A 27 34.766 26.277 15.391 1.00 49.53 N ATOM 416 CA LYS A 27 35.692 27.152 16.128 1.00 50.07 C ATOM 417 C LYS A 27 37.038 27.239 15.427 1.00 50.51 C ATOM 418 O LYS A 27 37.806 28.193 15.707 1.00 49.49 O ATOM 419 CB LYS A 27 35.876 26.651 17.561 1.00 49.82 C ATOM 420 CG LYS A 27 34.623 26.736 18.423 1.00 49.82 C ATOM 421 CD LYS A 27 34.884 26.222 19.831 1.00 49.82 C ATOM 422 CE LYS A 27 33.628 26.289 20.687 1.00 50.21 C ATOM 423 NZ LYS A 27 33.862 25.765 22.060 1.00 49.70 N ATOM 0 H LYS A 27 34.675 25.335 15.770 1.00 49.53 H new ATOM 0 HA LYS A 27 35.257 28.151 16.157 1.00 50.07 H new ATOM 0 HB2 LYS A 27 36.211 25.614 17.530 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.669 27.229 18.036 1.00 49.82 H new ATOM 0 HG2 LYS A 27 34.280 27.770 18.469 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.823 26.155 17.964 1.00 49.82 H new ATOM 0 HD2 LYS A 27 35.240 25.193 19.784 1.00 49.82 H new ATOM 0 HD3 LYS A 27 35.674 26.812 20.295 1.00 49.82 H new ATOM 0 HE2 LYS A 27 33.284 27.322 20.747 1.00 50.21 H new ATOM 0 HE3 LYS A 27 32.833 25.715 20.210 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 32.982 25.828 22.610 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 34.165 24.772 22.005 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 34.602 26.328 22.525 1.00 49.70 H new ATOM 437 N ALA A 28 37.360 26.280 14.585 1.00 49.53 N ATOM 438 CA ALA A 28 38.606 26.308 13.810 1.00 50.07 C ATOM 439 C ALA A 28 38.480 27.294 12.662 1.00 50.51 C ATOM 440 O ALA A 28 39.294 28.274 12.558 1.00 49.49 O ATOM 441 CB ALA A 28 38.949 24.901 13.285 1.00 49.73 C ATOM 0 H ALA A 28 36.778 25.460 14.411 1.00 49.53 H new ATOM 0 HA ALA A 28 39.418 26.632 14.461 1.00 50.07 H new ATOM 0 HB1 ALA A 28 39.876 24.942 12.713 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.072 24.219 14.126 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.142 24.545 12.644 1.00 49.73 H new ATOM 447 N LYS A 29 37.500 27.141 11.786 1.00 49.53 N ATOM 448 CA LYS A 29 37.271 28.115 10.699 1.00 50.07 C ATOM 449 C LYS A 29 37.291 29.596 11.122 1.00 50.51 C ATOM 450 O LYS A 29 37.705 30.514 10.374 1.00 49.49 O ATOM 451 CB LYS A 29 35.946 27.808 9.999 1.00 49.82 C ATOM 452 CG LYS A 29 35.756 28.526 8.669 1.00 49.82 C ATOM 453 CD LYS A 29 36.524 27.835 7.552 1.00 49.82 C ATOM 454 CE LYS A 29 36.237 28.478 6.203 1.00 50.21 C ATOM 455 NZ LYS A 29 36.978 27.809 5.099 1.00 49.70 N ATOM 0 H LYS A 29 36.845 26.359 11.795 1.00 49.53 H new ATOM 0 HA LYS A 29 38.120 27.992 10.027 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.878 26.733 9.831 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.126 28.079 10.664 1.00 49.82 H new ATOM 0 HG2 LYS A 29 34.696 28.557 8.419 1.00 49.82 H new ATOM 0 HG3 LYS A 29 36.093 29.559 8.760 1.00 49.82 H new ATOM 0 HD2 LYS A 29 37.593 27.882 7.760 1.00 49.82 H new ATOM 0 HD3 LYS A 29 36.252 26.780 7.520 1.00 49.82 H new ATOM 0 HE2 LYS A 29 35.167 28.434 6.000 1.00 50.21 H new ATOM 0 HE3 LYS A 29 36.512 29.532 6.238 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 36.755 28.277 4.198 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 38.000 27.873 5.279 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 36.697 26.809 5.049 1.00 49.70 H new ATOM 469 N ILE A 30 36.899 29.842 12.373 1.00 49.53 N ATOM 470 CA ILE A 30 36.886 31.229 12.871 1.00 50.07 C ATOM 471 C ILE A 30 38.358 31.540 13.170 1.00 50.51 C ATOM 472 O ILE A 30 38.846 32.637 12.808 1.00 49.49 O ATOM 473 CB ILE A 30 36.037 31.391 14.145 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.559 31.139 13.838 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.231 32.777 14.741 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.692 31.013 15.070 1.00 49.73 C ATOM 0 H ILE A 30 36.596 29.134 13.042 1.00 49.53 H new ATOM 0 HA ILE A 30 36.441 31.905 12.141 1.00 50.07 H new ATOM 0 HB ILE A 30 36.367 30.654 14.877 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.182 31.955 13.222 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.471 30.227 13.248 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.624 32.874 15.641 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.281 32.920 14.995 1.00 49.73 H new ATOM 0 HG23 ILE A 30 35.927 33.531 14.015 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.659 30.836 14.771 1.00 49.73 H new ATOM 0 HD12 ILE A 30 34.042 30.179 15.678 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.749 31.934 15.651 1.00 49.73 H new ATOM 488 N GLN A 31 39.050 30.674 13.866 1.00 49.53 N ATOM 489 CA GLN A 31 40.490 30.974 14.145 1.00 50.07 C ATOM 490 C GLN A 31 41.227 31.232 12.822 1.00 50.51 C ATOM 491 O GLN A 31 42.232 31.966 12.677 1.00 49.49 O ATOM 492 CB GLN A 31 41.149 29.812 14.895 1.00 49.82 C ATOM 493 CG GLN A 31 42.386 30.204 15.686 1.00 49.82 C ATOM 494 CD GLN A 31 43.620 30.320 14.811 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.801 29.549 13.864 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.478 31.283 15.125 1.00 49.38 N ATOM 0 H GLN A 31 38.695 29.796 14.245 1.00 49.53 H new ATOM 0 HA GLN A 31 40.548 31.863 14.772 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.420 29.373 15.576 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.420 29.038 14.177 1.00 49.82 H new ATOM 0 HG2 GLN A 31 42.208 31.156 16.186 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.565 29.463 16.466 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.288 31.897 15.917 1.00 49.38 H new ATOM 0 HE22 GLN A 31 45.328 31.409 14.575 1.00 49.38 H new ATOM 505 N ASP A 32 40.740 30.555 11.808 1.00 49.53 N ATOM 506 CA ASP A 32 41.324 30.705 10.455 1.00 50.07 C ATOM 507 C ASP A 32 41.100 32.108 9.936 1.00 50.51 C ATOM 508 O ASP A 32 41.707 32.580 8.946 1.00 49.49 O ATOM 509 CB ASP A 32 40.722 29.680 9.492 1.00 49.72 C ATOM 510 CG ASP A 32 41.324 28.286 9.598 1.00 50.62 C ATOM 511 OD1 ASP A 32 42.214 28.103 10.396 1.00 49.24 O ATOM 512 OD2 ASP A 32 40.791 27.382 8.999 1.00 49.24 O ATOM 0 H ASP A 32 39.958 29.903 11.870 1.00 49.53 H new ATOM 0 HA ASP A 32 42.397 30.526 10.523 1.00 50.07 H new ATOM 0 HB2 ASP A 32 39.650 29.614 9.675 1.00 49.72 H new ATOM 0 HB3 ASP A 32 40.849 30.041 8.471 1.00 49.72 H new ATOM 517 N LYS A 33 40.181 32.862 10.568 1.00 49.53 N ATOM 518 CA LYS A 33 39.903 34.200 9.981 1.00 50.07 C ATOM 519 C LYS A 33 40.147 35.319 10.931 1.00 50.51 C ATOM 520 O LYS A 33 40.994 36.208 10.571 1.00 49.49 O ATOM 521 CB LYS A 33 38.465 34.264 9.466 1.00 49.82 C ATOM 522 CG LYS A 33 38.066 35.609 8.877 1.00 49.82 C ATOM 523 CD LYS A 33 38.757 35.858 7.545 1.00 49.82 C ATOM 524 CE LYS A 33 38.320 37.180 6.931 1.00 50.21 C ATOM 525 NZ LYS A 33 38.892 37.377 5.571 1.00 49.70 N ATOM 0 H LYS A 33 39.658 32.608 11.406 1.00 49.53 H new ATOM 0 HA LYS A 33 40.603 34.325 9.155 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.330 33.494 8.706 1.00 49.82 H new ATOM 0 HB3 LYS A 33 37.788 34.025 10.286 1.00 49.82 H new ATOM 0 HG2 LYS A 33 36.985 35.642 8.740 1.00 49.82 H new ATOM 0 HG3 LYS A 33 38.323 36.405 9.576 1.00 49.82 H new ATOM 0 HD2 LYS A 33 39.837 35.862 7.689 1.00 49.82 H new ATOM 0 HD3 LYS A 33 38.530 35.043 6.858 1.00 49.82 H new ATOM 0 HE2 LYS A 33 37.232 37.212 6.875 1.00 50.21 H new ATOM 0 HE3 LYS A 33 38.630 38.001 7.578 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 38.570 38.289 5.188 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 39.930 37.372 5.627 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 38.575 36.608 4.946 1.00 49.70 H new ATOM 539 N GLU A 34 39.627 35.365 12.125 1.00 49.53 N ATOM 540 CA GLU A 34 39.832 36.425 13.086 1.00 50.07 C ATOM 541 C GLU A 34 41.049 36.339 13.973 1.00 50.51 C ATOM 542 O GLU A 34 41.661 37.371 14.270 1.00 49.49 O ATOM 543 CB GLU A 34 38.589 36.561 13.968 1.00 49.82 C ATOM 544 CG GLU A 34 37.336 36.998 13.223 1.00 49.72 C ATOM 545 CD GLU A 34 36.255 37.426 14.177 1.00 50.62 C ATOM 546 OE1 GLU A 34 35.944 36.674 15.069 1.00 49.24 O ATOM 547 OE2 GLU A 34 35.819 38.550 14.085 1.00 49.24 O ATOM 0 H GLU A 34 39.016 34.628 12.478 1.00 49.53 H new ATOM 0 HA GLU A 34 40.016 37.300 12.463 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.395 35.604 14.451 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.797 37.281 14.759 1.00 49.82 H new ATOM 0 HG2 GLU A 34 37.578 37.822 12.551 1.00 49.72 H new ATOM 0 HG3 GLU A 34 36.974 36.177 12.604 1.00 49.72 H new ATOM 554 N GLY A 35 41.369 35.154 14.463 1.00 49.53 N ATOM 555 CA GLY A 35 42.546 34.932 15.261 1.00 49.98 C ATOM 556 C GLY A 35 42.142 34.538 16.626 1.00 50.51 C ATOM 557 O GLY A 35 43.016 34.356 17.515 1.00 49.49 O ATOM 0 H GLY A 35 40.809 34.315 14.312 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.162 34.153 14.812 1.00 49.98 H new ATOM 0 HA3 GLY A 35 43.152 35.837 15.296 1.00 49.98 H new ATOM 561 N ILE A 36 40.836 34.316 16.856 1.00 49.53 N ATOM 562 CA ILE A 36 40.412 33.916 18.207 1.00 50.07 C ATOM 563 C ILE A 36 40.570 32.431 18.486 1.00 50.51 C ATOM 564 O ILE A 36 40.089 31.584 17.711 1.00 49.49 O ATOM 565 CB ILE A 36 38.947 34.313 18.469 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.794 35.836 18.440 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.474 33.752 19.800 1.00 49.73 C ATOM 568 CD1 ILE A 36 39.629 36.553 19.476 1.00 49.73 C ATOM 0 H ILE A 36 40.091 34.401 16.164 1.00 49.53 H new ATOM 0 HA ILE A 36 41.080 34.451 18.882 1.00 50.07 H new ATOM 0 HB ILE A 36 38.326 33.890 17.679 1.00 49.91 H new ATOM 0 HG12 ILE A 36 39.068 36.201 17.450 1.00 49.82 H new ATOM 0 HG13 ILE A 36 37.745 36.089 18.594 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.437 34.042 19.969 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.549 32.665 19.784 1.00 49.73 H new ATOM 0 HG23 ILE A 36 39.097 34.146 20.603 1.00 49.73 H new ATOM 0 HD11 ILE A 36 39.467 37.628 19.393 1.00 49.73 H new ATOM 0 HD12 ILE A 36 39.339 36.218 20.472 1.00 49.73 H new ATOM 0 HD13 ILE A 36 40.683 36.331 19.311 1.00 49.73 H new ATOM 580 N PRO A 37 41.217 32.091 19.595 1.00 49.71 N ATOM 581 CA PRO A 37 41.416 30.694 20.016 1.00 50.02 C ATOM 582 C PRO A 37 40.087 29.975 20.152 1.00 50.51 C ATOM 583 O PRO A 37 39.151 30.564 20.755 1.00 49.49 O ATOM 584 CB PRO A 37 42.051 30.907 21.424 1.00 49.82 C ATOM 585 CG PRO A 37 42.813 32.190 21.272 1.00 49.82 C ATOM 586 CD PRO A 37 41.808 33.077 20.548 1.00 50.00 C ATOM 0 HA PRO A 37 42.008 30.095 19.324 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.290 30.981 22.201 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.707 30.080 21.698 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.104 32.607 22.236 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.727 32.055 20.694 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.064 33.499 21.224 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.285 33.914 20.037 1.00 50.00 H new ATOM 594 N PRO A 38 39.976 28.755 19.686 1.00 49.71 N ATOM 595 CA PRO A 38 38.701 28.027 19.783 1.00 50.02 C ATOM 596 C PRO A 38 38.192 27.898 21.193 1.00 50.51 C ATOM 597 O PRO A 38 36.958 27.880 21.459 1.00 49.49 O ATOM 598 CB PRO A 38 38.989 26.704 19.082 1.00 49.82 C ATOM 599 CG PRO A 38 40.073 27.077 18.074 1.00 49.82 C ATOM 600 CD PRO A 38 40.989 27.968 18.940 1.00 50.00 C ATOM 0 HA PRO A 38 37.874 28.556 19.309 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.334 25.943 19.782 1.00 49.82 H new ATOM 0 HB3 PRO A 38 38.101 26.306 18.591 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.595 26.202 17.688 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.670 27.613 17.215 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.630 27.385 19.601 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.643 28.599 18.338 1.00 50.00 H new ATOM 608 N ASP A 39 39.071 27.806 22.162 1.00 49.53 N ATOM 609 CA ASP A 39 38.645 27.621 23.576 1.00 50.07 C ATOM 610 C ASP A 39 38.261 28.899 24.308 1.00 50.51 C ATOM 611 O ASP A 39 37.900 28.910 25.518 1.00 49.49 O ATOM 612 CB ASP A 39 39.742 26.897 24.359 1.00 49.72 C ATOM 613 CG ASP A 39 40.157 25.555 23.769 1.00 50.62 C ATOM 614 OD1 ASP A 39 39.324 24.686 23.677 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.254 25.462 23.273 1.00 49.24 O ATOM 0 H ASP A 39 40.081 27.853 22.025 1.00 49.53 H new ATOM 0 HA ASP A 39 37.734 27.025 23.524 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.619 27.543 24.413 1.00 49.72 H new ATOM 0 HB3 ASP A 39 39.398 26.740 25.381 1.00 49.72 H new ATOM 620 N GLN A 40 38.226 30.008 23.587 1.00 49.53 N ATOM 621 CA GLN A 40 37.835 31.287 24.226 1.00 50.07 C ATOM 622 C GLN A 40 36.450 31.586 23.619 1.00 50.51 C ATOM 623 O GLN A 40 35.860 32.604 23.960 1.00 49.49 O ATOM 624 CB GLN A 40 38.828 32.405 23.903 1.00 49.82 C ATOM 625 CG GLN A 40 40.215 32.193 24.486 1.00 49.82 C ATOM 626 CD GLN A 40 41.049 33.461 24.475 1.00 50.55 C ATOM 627 OE1 GLN A 40 42.210 33.461 24.893 1.00 49.45 O ATOM 628 NE2 GLN A 40 40.458 34.552 24.002 1.00 49.38 N ATOM 0 H GLN A 40 38.452 30.067 22.594 1.00 49.53 H new ATOM 0 HA GLN A 40 37.820 31.222 25.314 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.912 32.500 22.820 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.430 33.349 24.276 1.00 49.82 H new ATOM 0 HG2 GLN A 40 40.124 31.831 25.510 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.730 31.418 23.918 1.00 49.82 H new ATOM 0 HE21 GLN A 40 39.496 34.506 23.667 1.00 49.38 H new ATOM 0 HE22 GLN A 40 40.966 35.436 23.974 1.00 49.38 H new ATOM 637 N GLN A 41 35.938 30.702 22.791 1.00 49.53 N ATOM 638 CA GLN A 41 34.676 30.880 22.115 1.00 50.07 C ATOM 639 C GLN A 41 33.509 30.226 22.825 1.00 50.51 C ATOM 640 O GLN A 41 33.505 29.072 23.225 1.00 49.49 O ATOM 641 CB GLN A 41 34.765 30.334 20.667 1.00 49.82 C ATOM 642 CG GLN A 41 35.947 30.924 19.862 1.00 49.82 C ATOM 643 CD GLN A 41 35.967 30.350 18.473 1.00 50.55 C ATOM 644 OE1 GLN A 41 34.897 29.975 17.961 1.00 49.45 O ATOM 645 NE2 GLN A 41 37.103 30.239 17.822 1.00 49.38 N ATOM 0 H GLN A 41 36.399 29.821 22.565 1.00 49.53 H new ATOM 0 HA GLN A 41 34.485 31.953 22.111 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.863 29.249 20.701 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.834 30.554 20.145 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.858 32.009 19.814 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.887 30.704 20.368 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.972 30.551 18.256 1.00 49.38 H new ATOM 0 HE22 GLN A 41 37.116 29.841 16.883 1.00 49.38 H new ATOM 654 N ARG A 42 32.387 30.943 22.824 1.00 49.53 N ATOM 655 CA ARG A 42 31.098 30.372 23.327 1.00 50.07 C ATOM 656 C ARG A 42 29.968 30.531 22.334 1.00 50.51 C ATOM 657 O ARG A 42 29.446 31.712 22.231 1.00 49.49 O ATOM 658 CB ARG A 42 30.719 30.937 24.688 1.00 49.82 C ATOM 659 CG ARG A 42 31.698 30.619 25.808 1.00 49.82 C ATOM 660 CD ARG A 42 31.204 30.958 27.167 1.00 50.20 C ATOM 661 NE ARG A 42 30.072 30.158 27.612 1.00 49.30 N ATOM 662 CZ ARG A 42 30.174 28.950 28.200 1.00 50.64 C ATOM 663 NH1 ARG A 42 31.345 28.380 28.381 1.00 49.20 N ATOM 664 NH2 ARG A 42 29.061 28.340 28.568 1.00 49.20 N ATOM 0 H ARG A 42 32.323 31.905 22.491 1.00 49.53 H new ATOM 0 HA ARG A 42 31.266 29.302 23.449 1.00 50.07 H new ATOM 0 HB2 ARG A 42 30.626 32.020 24.603 1.00 49.82 H new ATOM 0 HB3 ARG A 42 29.737 30.553 24.964 1.00 49.82 H new ATOM 0 HG2 ARG A 42 31.936 29.556 25.776 1.00 49.82 H new ATOM 0 HG3 ARG A 42 32.627 31.159 25.627 1.00 49.82 H new ATOM 0 HD2 ARG A 42 32.021 30.837 27.878 1.00 50.20 H new ATOM 0 HD3 ARG A 42 30.919 32.010 27.185 1.00 50.20 H new ATOM 0 HE ARG A 42 29.137 30.538 27.469 1.00 49.30 H new ATOM 0 HH11 ARG A 42 32.195 28.853 28.074 1.00 49.20 H new ATOM 0 HH12 ARG A 42 31.403 27.465 28.828 1.00 49.20 H new ATOM 0 HH21 ARG A 42 28.158 28.785 28.404 1.00 49.20 H new ATOM 0 HH22 ARG A 42 29.105 27.425 29.016 1.00 49.20 H new ATOM 678 N LEU A 43 29.618 29.499 21.569 1.00 49.53 N ATOM 679 CA LEU A 43 28.551 29.631 20.544 1.00 50.07 C ATOM 680 C LEU A 43 27.129 29.243 20.936 1.00 50.51 C ATOM 681 O LEU A 43 26.932 28.139 21.460 1.00 49.49 O ATOM 682 CB LEU A 43 28.956 28.842 19.293 1.00 49.82 C ATOM 683 CG LEU A 43 30.111 29.448 18.485 1.00 49.91 C ATOM 684 CD1 LEU A 43 31.443 29.102 19.136 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.059 28.929 17.055 1.00 49.73 C ATOM 0 H LEU A 43 30.041 28.573 21.627 1.00 49.53 H new ATOM 0 HA LEU A 43 28.488 30.707 20.379 1.00 50.07 H new ATOM 0 HB2 LEU A 43 29.235 27.832 19.594 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.086 28.752 18.642 1.00 49.82 H new ATOM 0 HG LEU A 43 30.012 30.533 18.468 1.00 49.91 H new ATOM 0 HD11 LEU A 43 32.256 29.537 18.555 1.00 49.73 H new ATOM 0 HD12 LEU A 43 31.467 29.502 20.150 1.00 49.73 H new ATOM 0 HD13 LEU A 43 31.561 28.019 19.171 1.00 49.73 H new ATOM 0 HD21 LEU A 43 30.880 29.360 16.481 1.00 49.73 H new ATOM 0 HD22 LEU A 43 30.150 27.843 17.059 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.110 29.212 16.599 1.00 49.73 H new ATOM 697 N ILE A 44 26.204 30.183 20.759 1.00 49.53 N ATOM 698 CA ILE A 44 24.806 29.998 21.128 1.00 50.07 C ATOM 699 C ILE A 44 23.779 29.934 20.004 1.00 50.51 C ATOM 700 O ILE A 44 23.793 30.707 19.067 1.00 49.49 O ATOM 701 CB ILE A 44 24.361 31.095 22.113 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.345 31.196 23.280 1.00 49.82 C ATOM 703 CG2 ILE A 44 22.954 30.813 22.621 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.572 29.888 24.003 1.00 49.73 C ATOM 0 H ILE A 44 26.405 31.097 20.354 1.00 49.53 H new ATOM 0 HA ILE A 44 24.811 29.000 21.567 1.00 50.07 H new ATOM 0 HB ILE A 44 24.352 32.050 21.588 1.00 49.91 H new ATOM 0 HG12 ILE A 44 26.300 31.564 22.906 1.00 49.82 H new ATOM 0 HG13 ILE A 44 24.975 31.934 23.992 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.654 31.597 23.316 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.261 30.789 21.780 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.938 29.850 23.131 1.00 49.73 H new ATOM 0 HD11 ILE A 44 26.281 30.040 24.817 1.00 49.73 H new ATOM 0 HD12 ILE A 44 24.627 29.527 24.408 1.00 49.73 H new ATOM 0 HD13 ILE A 44 25.972 29.152 23.306 1.00 49.73 H new ATOM 716 N PHE A 45 22.941 28.866 20.065 1.00 49.53 N ATOM 717 CA PHE A 45 21.857 28.682 19.086 1.00 50.07 C ATOM 718 C PHE A 45 20.512 28.163 19.629 1.00 50.51 C ATOM 719 O PHE A 45 20.434 27.177 20.362 1.00 49.49 O ATOM 720 CB PHE A 45 22.333 27.753 17.967 1.00 49.82 C ATOM 721 CG PHE A 45 21.261 27.402 16.974 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.899 28.296 15.977 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.612 26.177 17.036 1.00 49.88 C ATOM 724 CE1 PHE A 45 19.912 27.973 15.064 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.627 25.852 16.125 1.00 49.88 C ATOM 726 CZ PHE A 45 19.276 26.752 15.137 1.00 49.88 C ATOM 0 H PHE A 45 23.000 28.134 20.773 1.00 49.53 H new ATOM 0 HA PHE A 45 21.642 29.691 18.733 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.161 28.228 17.441 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.720 26.835 18.409 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.393 29.254 15.913 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.881 25.469 17.806 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.639 28.678 14.293 1.00 49.88 H new ATOM 0 HE2 PHE A 45 19.131 24.895 16.185 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.505 26.500 14.424 1.00 49.88 H new ATOM 736 N ALA A 46 19.509 28.932 19.285 1.00 49.53 N ATOM 737 CA ALA A 46 18.104 28.633 19.630 1.00 50.07 C ATOM 738 C ALA A 46 17.877 28.450 21.122 1.00 50.51 C ATOM 739 O ALA A 46 17.075 27.613 21.563 1.00 49.49 O ATOM 740 CB ALA A 46 17.641 27.421 18.885 1.00 49.73 C ATOM 0 H ALA A 46 19.625 29.795 18.753 1.00 49.53 H new ATOM 0 HA ALA A 46 17.517 29.502 19.332 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.604 27.208 19.145 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.716 27.602 17.813 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.265 26.569 19.153 1.00 49.73 H new ATOM 746 N GLY A 47 18.631 29.195 21.875 1.00 49.53 N ATOM 747 CA GLY A 47 18.676 29.261 23.305 1.00 49.98 C ATOM 748 C GLY A 47 19.711 28.374 23.949 1.00 50.51 C ATOM 749 O GLY A 47 20.334 28.782 24.954 1.00 49.49 O ATOM 0 H GLY A 47 19.301 29.840 21.456 1.00 49.53 H new ATOM 0 HA2 GLY A 47 18.868 30.292 23.601 1.00 49.98 H new ATOM 0 HA3 GLY A 47 17.695 28.994 23.698 1.00 49.98 H new ATOM 753 N LYS A 48 19.960 27.219 23.395 1.00 49.53 N ATOM 754 CA LYS A 48 20.984 26.301 23.910 1.00 50.07 C ATOM 755 C LYS A 48 22.425 26.624 23.472 1.00 50.51 C ATOM 756 O LYS A 48 22.585 27.384 22.529 1.00 49.49 O ATOM 757 CB LYS A 48 20.642 24.865 23.513 1.00 49.82 C ATOM 758 CG LYS A 48 19.377 24.317 24.160 1.00 49.82 C ATOM 759 CD LYS A 48 18.921 23.032 23.484 1.00 49.82 C ATOM 760 CE LYS A 48 17.634 22.507 24.102 1.00 50.21 C ATOM 761 NZ LYS A 48 17.164 21.262 23.435 1.00 49.70 N ATOM 0 H LYS A 48 19.468 26.871 22.572 1.00 49.53 H new ATOM 0 HA LYS A 48 20.966 26.428 24.992 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.531 24.817 22.430 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.479 24.219 23.777 1.00 49.82 H new ATOM 0 HG2 LYS A 48 19.560 24.129 25.218 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.584 25.062 24.101 1.00 49.82 H new ATOM 0 HD2 LYS A 48 18.768 23.213 22.420 1.00 49.82 H new ATOM 0 HD3 LYS A 48 19.702 22.277 23.570 1.00 49.82 H new ATOM 0 HE2 LYS A 48 17.794 22.312 25.162 1.00 50.21 H new ATOM 0 HE3 LYS A 48 16.860 23.271 24.031 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 16.285 20.937 23.886 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 16.987 21.453 22.428 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 17.892 20.524 23.524 1.00 49.70 H new ATOM 775 N GLN A 49 23.402 26.054 24.124 1.00 49.53 N ATOM 776 CA GLN A 49 24.810 26.233 23.670 1.00 50.07 C ATOM 777 C GLN A 49 25.173 25.034 22.797 1.00 50.51 C ATOM 778 O GLN A 49 24.454 24.003 22.863 1.00 49.49 O ATOM 779 CB GLN A 49 25.764 26.330 24.864 1.00 49.82 C ATOM 780 CG GLN A 49 25.871 25.053 25.680 1.00 49.82 C ATOM 781 CD GLN A 49 26.984 25.117 26.709 1.00 50.55 C ATOM 782 OE1 GLN A 49 26.805 25.658 27.805 1.00 49.45 O ATOM 783 NE2 GLN A 49 28.142 24.568 26.362 1.00 49.38 N ATOM 0 H GLN A 49 23.285 25.471 24.953 1.00 49.53 H new ATOM 0 HA GLN A 49 24.903 27.161 23.105 1.00 50.07 H new ATOM 0 HB2 GLN A 49 26.756 26.601 24.501 1.00 49.82 H new ATOM 0 HB3 GLN A 49 25.432 27.138 25.516 1.00 49.82 H new ATOM 0 HG2 GLN A 49 24.923 24.867 26.185 1.00 49.82 H new ATOM 0 HG3 GLN A 49 26.046 24.211 25.011 1.00 49.82 H new ATOM 0 HE21 GLN A 49 28.245 24.132 25.446 1.00 49.38 H new ATOM 0 HE22 GLN A 49 28.928 24.583 27.012 1.00 49.38 H new ATOM 792 N LEU A 50 26.168 25.168 21.954 1.00 49.53 N ATOM 793 CA LEU A 50 26.546 24.109 21.004 1.00 50.07 C ATOM 794 C LEU A 50 27.711 23.337 21.601 1.00 50.51 C ATOM 795 O LEU A 50 28.601 23.976 22.127 1.00 49.49 O ATOM 796 CB LEU A 50 26.924 24.709 19.644 1.00 49.82 C ATOM 797 CG LEU A 50 25.874 25.641 19.027 1.00 49.91 C ATOM 798 CD1 LEU A 50 26.405 26.242 17.733 1.00 49.73 C ATOM 799 CD2 LEU A 50 24.590 24.864 18.773 1.00 49.73 C ATOM 0 H LEU A 50 26.747 26.006 21.894 1.00 49.53 H new ATOM 0 HA LEU A 50 25.704 23.438 20.835 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.857 25.262 19.755 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.118 23.894 18.947 1.00 49.82 H new ATOM 0 HG LEU A 50 25.660 26.456 19.719 1.00 49.91 H new ATOM 0 HD11 LEU A 50 25.652 26.902 17.303 1.00 49.73 H new ATOM 0 HD12 LEU A 50 27.311 26.812 17.941 1.00 49.73 H new ATOM 0 HD13 LEU A 50 26.633 25.443 17.027 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.844 25.527 18.335 1.00 49.73 H new ATOM 0 HD22 LEU A 50 24.792 24.041 18.087 1.00 49.73 H new ATOM 0 HD23 LEU A 50 24.213 24.466 19.715 1.00 49.73 H new ATOM 811 N GLU A 51 27.680 22.008 21.502 1.00 49.53 N ATOM 812 CA GLU A 51 28.751 21.185 22.102 1.00 50.07 C ATOM 813 C GLU A 51 29.653 20.557 21.075 1.00 50.51 C ATOM 814 O GLU A 51 29.210 20.317 19.955 1.00 49.49 O ATOM 815 CB GLU A 51 28.145 20.097 22.993 1.00 49.82 C ATOM 816 CG GLU A 51 27.431 20.624 24.229 1.00 49.72 C ATOM 817 CD GLU A 51 27.245 19.540 25.255 1.00 50.62 C ATOM 818 OE1 GLU A 51 28.216 18.925 25.626 1.00 49.24 O ATOM 819 OE2 GLU A 51 26.152 19.400 25.751 1.00 49.24 O ATOM 0 H GLU A 51 26.948 21.481 21.026 1.00 49.53 H new ATOM 0 HA GLU A 51 29.365 21.859 22.700 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.440 19.512 22.403 1.00 49.82 H new ATOM 0 HB3 GLU A 51 28.938 19.418 23.308 1.00 49.82 H new ATOM 0 HG2 GLU A 51 28.005 21.443 24.662 1.00 49.72 H new ATOM 0 HG3 GLU A 51 26.460 21.030 23.946 1.00 49.72 H new ATOM 826 N ASP A 52 30.894 20.273 21.388 1.00 49.53 N ATOM 827 CA ASP A 52 31.910 19.745 20.484 1.00 50.07 C ATOM 828 C ASP A 52 31.614 18.445 19.758 1.00 50.51 C ATOM 829 O ASP A 52 32.020 18.312 18.568 1.00 49.49 O ATOM 830 CB ASP A 52 33.233 19.594 21.240 1.00 49.72 C ATOM 831 CG ASP A 52 34.064 20.868 21.314 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.517 21.892 21.648 1.00 49.24 O ATOM 833 OD2 ASP A 52 35.262 20.780 21.191 1.00 49.24 O ATOM 0 H ASP A 52 31.251 20.409 22.334 1.00 49.53 H new ATOM 0 HA ASP A 52 31.944 20.488 19.688 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.021 19.253 22.254 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.825 18.816 20.759 1.00 49.72 H new ATOM 838 N GLY A 53 31.014 17.489 20.431 1.00 49.53 N ATOM 839 CA GLY A 53 30.710 16.152 19.888 1.00 49.98 C ATOM 840 C GLY A 53 29.411 16.221 19.157 1.00 50.51 C ATOM 841 O GLY A 53 29.041 15.283 18.415 1.00 49.49 O ATOM 0 H GLY A 53 30.710 17.607 21.397 1.00 49.53 H new ATOM 0 HA2 GLY A 53 31.505 15.826 19.217 1.00 49.98 H new ATOM 0 HA3 GLY A 53 30.653 15.420 20.694 1.00 49.98 H new ATOM 845 N ARG A 54 28.608 17.261 19.359 1.00 49.53 N ATOM 846 CA ARG A 54 27.343 17.436 18.617 1.00 50.07 C ATOM 847 C ARG A 54 27.767 17.937 17.244 1.00 50.51 C ATOM 848 O ARG A 54 28.864 18.514 17.088 1.00 49.49 O ATOM 849 CB ARG A 54 26.368 18.376 19.311 1.00 49.82 C ATOM 850 CG ARG A 54 25.767 17.838 20.599 1.00 49.82 C ATOM 851 CD ARG A 54 24.714 16.809 20.400 1.00 50.20 C ATOM 852 NE ARG A 54 24.158 16.270 21.631 1.00 49.30 N ATOM 853 CZ ARG A 54 23.178 15.348 21.688 1.00 50.64 C ATOM 854 NH1 ARG A 54 22.617 14.886 20.592 1.00 49.20 N ATOM 855 NH2 ARG A 54 22.777 14.935 22.878 1.00 49.20 N ATOM 0 H ARG A 54 28.803 18.003 20.031 1.00 49.53 H new ATOM 0 HA ARG A 54 26.785 16.502 18.554 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.882 19.312 19.530 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.559 18.611 18.620 1.00 49.82 H new ATOM 0 HG2 ARG A 54 26.564 17.412 21.208 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.344 18.669 21.164 1.00 49.82 H new ATOM 0 HD2 ARG A 54 23.906 17.243 19.811 1.00 50.20 H new ATOM 0 HD3 ARG A 54 25.131 15.989 19.815 1.00 50.20 H new ATOM 0 HE ARG A 54 24.537 16.614 22.513 1.00 49.30 H new ATOM 0 HH11 ARG A 54 22.923 15.226 19.680 1.00 49.20 H new ATOM 0 HH12 ARG A 54 21.876 14.188 20.654 1.00 49.20 H new ATOM 0 HH21 ARG A 54 23.208 15.314 23.721 1.00 49.20 H new ATOM 0 HH22 ARG A 54 22.037 14.237 22.953 1.00 49.20 H new ATOM 869 N THR A 55 26.889 17.815 16.279 1.00 49.53 N ATOM 870 CA THR A 55 27.103 18.300 14.898 1.00 50.07 C ATOM 871 C THR A 55 26.002 19.345 14.589 1.00 50.51 C ATOM 872 O THR A 55 25.101 19.550 15.395 1.00 49.49 O ATOM 873 CB THR A 55 27.038 17.158 13.866 1.00 50.14 C ATOM 874 OG1 THR A 55 25.795 16.458 14.003 1.00 49.34 O ATOM 875 CG2 THR A 55 28.189 16.187 14.075 1.00 49.73 C ATOM 0 H THR A 55 25.981 17.370 16.413 1.00 49.53 H new ATOM 0 HA THR A 55 28.099 18.738 14.827 1.00 50.07 H new ATOM 0 HB THR A 55 27.113 17.585 12.866 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.805 15.931 14.829 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.128 15.386 13.338 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.136 16.715 13.960 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.130 15.763 15.077 1.00 49.73 H new ATOM 883 N LEU A 56 26.112 19.957 13.428 1.00 49.53 N ATOM 884 CA LEU A 56 25.116 20.933 12.955 1.00 50.07 C ATOM 885 C LEU A 56 23.849 20.102 12.777 1.00 50.51 C ATOM 886 O LEU A 56 22.786 20.633 12.956 1.00 49.49 O ATOM 887 CB LEU A 56 25.556 21.585 11.638 1.00 49.82 C ATOM 888 CG LEU A 56 26.504 22.781 11.786 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.819 22.333 12.411 1.00 49.73 C ATOM 890 CD2 LEU A 56 26.743 23.413 10.423 1.00 49.73 C ATOM 0 H LEU A 56 26.884 19.803 12.780 1.00 49.53 H new ATOM 0 HA LEU A 56 24.975 21.762 13.648 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.044 20.829 11.022 1.00 49.82 H new ATOM 0 HB3 LEU A 56 24.667 21.911 11.098 1.00 49.82 H new ATOM 0 HG LEU A 56 26.051 23.524 12.442 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.485 23.190 12.511 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.627 21.905 13.395 1.00 49.73 H new ATOM 0 HD13 LEU A 56 28.287 21.582 11.774 1.00 49.73 H new ATOM 0 HD21 LEU A 56 27.417 24.263 10.529 1.00 49.73 H new ATOM 0 HD22 LEU A 56 27.190 22.677 9.754 1.00 49.73 H new ATOM 0 HD23 LEU A 56 25.794 23.752 10.008 1.00 49.73 H new ATOM 902 N SER A 57 24.002 18.783 12.541 1.00 49.53 N ATOM 903 CA SER A 57 22.771 17.976 12.355 1.00 50.07 C ATOM 904 C SER A 57 22.117 17.737 13.699 1.00 50.51 C ATOM 905 O SER A 57 20.874 17.930 13.849 1.00 49.49 O ATOM 906 CB SER A 57 23.098 16.661 11.676 1.00 50.05 C ATOM 907 OG SER A 57 21.958 15.868 11.487 1.00 49.34 O ATOM 0 H SER A 57 24.888 18.282 12.477 1.00 49.53 H new ATOM 0 HA SER A 57 22.077 18.521 11.715 1.00 50.07 H new ATOM 0 HB2 SER A 57 23.566 16.858 10.712 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.824 16.114 12.277 1.00 50.05 H new ATOM 0 HG SER A 57 22.212 15.031 11.045 1.00 49.34 H new ATOM 913 N ASP A 58 22.902 17.353 14.690 1.00 49.53 N ATOM 914 CA ASP A 58 22.365 17.096 16.051 1.00 50.07 C ATOM 915 C ASP A 58 21.539 18.277 16.569 1.00 50.51 C ATOM 916 O ASP A 58 20.664 18.148 17.430 1.00 49.49 O ATOM 917 CB ASP A 58 23.504 16.787 17.026 1.00 49.72 C ATOM 918 CG ASP A 58 24.227 15.475 16.754 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.596 14.447 16.819 1.00 49.24 O ATOM 920 OD2 ASP A 58 25.358 15.520 16.332 1.00 49.24 O ATOM 0 H ASP A 58 23.907 17.208 14.598 1.00 49.53 H new ATOM 0 HA ASP A 58 21.705 16.231 15.982 1.00 50.07 H new ATOM 0 HB2 ASP A 58 24.228 17.601 16.989 1.00 49.72 H new ATOM 0 HB3 ASP A 58 23.102 16.763 18.039 1.00 49.72 H new ATOM 925 N TYR A 59 21.957 19.451 16.190 1.00 49.53 N ATOM 926 CA TYR A 59 21.309 20.710 16.553 1.00 50.07 C ATOM 927 C TYR A 59 20.288 21.214 15.559 1.00 50.51 C ATOM 928 O TYR A 59 19.785 22.337 15.760 1.00 49.49 O ATOM 929 CB TYR A 59 22.367 21.791 16.785 1.00 49.82 C ATOM 930 CG TYR A 59 23.134 21.632 18.079 1.00 50.00 C ATOM 931 CD1 TYR A 59 22.485 21.711 19.302 1.00 49.88 C ATOM 932 CD2 TYR A 59 24.502 21.407 18.074 1.00 49.88 C ATOM 933 CE1 TYR A 59 23.179 21.567 20.488 1.00 49.88 C ATOM 934 CE2 TYR A 59 25.206 21.261 19.254 1.00 49.88 C ATOM 935 CZ TYR A 59 24.541 21.342 20.460 1.00 50.11 C ATOM 936 OH TYR A 59 25.237 21.199 21.638 1.00 49.46 O ATOM 0 H TYR A 59 22.781 19.578 15.602 1.00 49.53 H new ATOM 0 HA TYR A 59 20.754 20.494 17.466 1.00 50.07 H new ATOM 0 HB2 TYR A 59 23.071 21.780 15.953 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.882 22.767 16.779 1.00 49.82 H new ATOM 0 HD1 TYR A 59 21.420 21.888 19.328 1.00 49.88 H new ATOM 0 HD2 TYR A 59 25.026 21.345 17.132 1.00 49.88 H new ATOM 0 HE1 TYR A 59 22.659 21.630 21.432 1.00 49.88 H new ATOM 0 HE2 TYR A 59 26.271 21.084 19.232 1.00 49.88 H new ATOM 0 HH TYR A 59 25.018 21.941 22.240 1.00 49.46 H new ATOM 946 N ASN A 60 19.937 20.496 14.512 1.00 49.53 N ATOM 947 CA ASN A 60 18.933 21.027 13.566 1.00 50.07 C ATOM 948 C ASN A 60 19.372 22.395 13.058 1.00 50.51 C ATOM 949 O ASN A 60 18.536 23.256 12.717 1.00 49.49 O ATOM 950 CB ASN A 60 17.557 21.112 14.199 1.00 49.82 C ATOM 951 CG ASN A 60 16.783 19.825 14.141 1.00 50.55 C ATOM 952 OD1 ASN A 60 17.350 18.730 14.242 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.503 19.946 13.895 1.00 49.38 N ATOM 0 H ASN A 60 20.307 19.573 14.285 1.00 49.53 H new ATOM 0 HA ASN A 60 18.863 20.337 12.725 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.664 21.414 15.241 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.984 21.893 13.698 1.00 49.82 H new ATOM 0 HD21 ASN A 60 14.925 19.114 13.777 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.083 20.873 13.821 1.00 49.38 H new ATOM 960 N ILE A 61 20.666 22.595 12.926 1.00 49.53 N ATOM 961 CA ILE A 61 21.202 23.866 12.351 1.00 50.07 C ATOM 962 C ILE A 61 20.818 23.871 10.874 1.00 50.51 C ATOM 963 O ILE A 61 21.266 22.901 10.196 1.00 49.49 O ATOM 964 CB ILE A 61 22.731 23.972 12.495 1.00 49.91 C ATOM 965 CG1 ILE A 61 23.131 23.940 13.972 1.00 49.82 C ATOM 966 CG2 ILE A 61 23.242 25.240 11.829 1.00 49.73 C ATOM 967 CD1 ILE A 61 22.739 25.183 14.738 1.00 49.73 C ATOM 0 H ILE A 61 21.380 21.919 13.198 1.00 49.53 H new ATOM 0 HA ILE A 61 20.783 24.718 12.887 1.00 50.07 H new ATOM 0 HB ILE A 61 23.186 23.116 11.996 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.670 23.073 14.445 1.00 49.82 H new ATOM 0 HG13 ILE A 61 24.210 23.806 14.044 1.00 49.82 H new ATOM 0 HG21 ILE A 61 24.325 25.299 11.941 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.987 25.223 10.769 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.781 26.109 12.299 1.00 49.73 H new ATOM 0 HD11 ILE A 61 23.056 25.086 15.776 1.00 49.73 H new ATOM 0 HD12 ILE A 61 23.221 26.053 14.292 1.00 49.73 H new ATOM 0 HD13 ILE A 61 21.657 25.308 14.699 1.00 49.73 H new ATOM 979 N GLN A 62 20.036 24.817 10.435 1.00 49.53 N ATOM 980 CA GLN A 62 19.537 24.891 9.030 1.00 50.07 C ATOM 981 C GLN A 62 20.033 26.015 8.117 1.00 50.51 C ATOM 982 O GLN A 62 21.028 26.684 8.449 1.00 49.49 O ATOM 983 CB GLN A 62 18.006 24.930 9.043 1.00 49.82 C ATOM 984 CG GLN A 62 17.419 26.065 9.865 1.00 49.82 C ATOM 985 CD GLN A 62 15.905 26.015 9.923 1.00 50.55 C ATOM 986 OE1 GLN A 62 15.324 25.229 10.677 1.00 49.45 O ATOM 987 NE2 GLN A 62 15.255 26.852 9.123 1.00 49.38 N ATOM 0 H GLN A 62 19.706 25.581 11.024 1.00 49.53 H new ATOM 0 HA GLN A 62 19.968 23.995 8.584 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.647 25.016 8.017 1.00 49.82 H new ATOM 0 HB3 GLN A 62 17.633 23.983 9.433 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.820 26.022 10.878 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.732 27.018 9.439 1.00 49.82 H new ATOM 0 HE21 GLN A 62 15.776 27.485 8.516 1.00 49.38 H new ATOM 0 HE22 GLN A 62 14.235 26.862 9.116 1.00 49.38 H new ATOM 996 N LYS A 63 19.385 26.212 6.971 1.00 49.53 N ATOM 997 CA LYS A 63 19.801 27.199 6.000 1.00 50.07 C ATOM 998 C LYS A 63 19.553 28.629 6.473 1.00 50.51 C ATOM 999 O LYS A 63 18.474 29.018 6.890 1.00 49.49 O ATOM 1000 CB LYS A 63 19.089 26.963 4.667 1.00 49.82 C ATOM 1001 CG LYS A 63 19.526 27.897 3.546 1.00 49.82 C ATOM 1002 CD LYS A 63 18.837 27.548 2.235 1.00 49.82 C ATOM 1003 CE LYS A 63 19.299 28.460 1.107 1.00 50.21 C ATOM 1004 NZ LYS A 63 18.633 28.131 -0.183 1.00 49.70 N ATOM 0 H LYS A 63 18.555 25.686 6.697 1.00 49.53 H new ATOM 0 HA LYS A 63 20.877 27.082 5.871 1.00 50.07 H new ATOM 0 HB2 LYS A 63 19.262 25.933 4.354 1.00 49.82 H new ATOM 0 HB3 LYS A 63 18.015 27.074 4.818 1.00 49.82 H new ATOM 0 HG2 LYS A 63 19.295 28.927 3.817 1.00 49.82 H new ATOM 0 HG3 LYS A 63 20.607 27.835 3.419 1.00 49.82 H new ATOM 0 HD2 LYS A 63 19.048 26.510 1.976 1.00 49.82 H new ATOM 0 HD3 LYS A 63 17.757 27.633 2.355 1.00 49.82 H new ATOM 0 HE2 LYS A 63 19.089 29.497 1.370 1.00 50.21 H new ATOM 0 HE3 LYS A 63 20.379 28.374 0.990 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 18.975 28.775 -0.925 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 18.854 27.150 -0.447 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 17.604 28.238 -0.080 1.00 49.70 H new ATOM 1018 N GLU A 64 20.672 29.369 6.479 1.00 49.53 N ATOM 1019 CA GLU A 64 20.751 30.753 6.866 1.00 50.07 C ATOM 1020 C GLU A 64 20.312 30.911 8.291 1.00 50.51 C ATOM 1021 O GLU A 64 19.564 31.849 8.663 1.00 49.49 O ATOM 1022 CB GLU A 64 19.890 31.622 5.945 1.00 49.82 C ATOM 1023 CG GLU A 64 20.302 31.584 4.480 1.00 49.72 C ATOM 1024 CD GLU A 64 19.435 32.485 3.646 1.00 50.62 C ATOM 1025 OE1 GLU A 64 18.540 33.087 4.189 1.00 49.24 O ATOM 1026 OE2 GLU A 64 19.735 32.661 2.488 1.00 49.24 O ATOM 0 H GLU A 64 21.575 28.987 6.199 1.00 49.53 H new ATOM 0 HA GLU A 64 21.786 31.082 6.775 1.00 50.07 H new ATOM 0 HB2 GLU A 64 18.852 31.299 6.027 1.00 49.82 H new ATOM 0 HB3 GLU A 64 19.932 32.653 6.295 1.00 49.82 H new ATOM 0 HG2 GLU A 64 21.344 31.889 4.385 1.00 49.72 H new ATOM 0 HG3 GLU A 64 20.233 30.562 4.107 1.00 49.72 H new ATOM 1033 N SER A 65 20.889 30.080 9.146 1.00 49.53 N ATOM 1034 CA SER A 65 20.686 30.139 10.598 1.00 50.07 C ATOM 1035 C SER A 65 21.868 30.965 11.159 1.00 50.51 C ATOM 1036 O SER A 65 22.952 30.960 10.586 1.00 49.49 O ATOM 1037 CB SER A 65 20.649 28.747 11.198 1.00 50.05 C ATOM 1038 OG SER A 65 19.561 28.000 10.727 1.00 49.34 O ATOM 0 H SER A 65 21.520 29.334 8.854 1.00 49.53 H new ATOM 0 HA SER A 65 19.731 30.601 10.850 1.00 50.07 H new ATOM 0 HB2 SER A 65 21.576 28.226 10.961 1.00 50.05 H new ATOM 0 HB3 SER A 65 20.594 28.822 12.284 1.00 50.05 H new ATOM 0 HG SER A 65 18.912 27.875 11.451 1.00 49.34 H new ATOM 1044 N THR A 66 21.639 31.671 12.234 1.00 49.53 N ATOM 1045 CA THR A 66 22.689 32.430 12.923 1.00 50.07 C ATOM 1046 C THR A 66 23.218 31.753 14.186 1.00 50.51 C ATOM 1047 O THR A 66 22.408 31.131 14.909 1.00 49.49 O ATOM 1048 CB THR A 66 22.197 33.842 13.293 1.00 50.14 C ATOM 1049 OG1 THR A 66 21.818 34.547 12.104 1.00 49.34 O ATOM 1050 CG2 THR A 66 23.293 34.618 14.010 1.00 49.73 C ATOM 0 H THR A 66 20.720 31.746 12.671 1.00 49.53 H new ATOM 0 HA THR A 66 23.511 32.482 12.209 1.00 50.07 H new ATOM 0 HB THR A 66 21.338 33.748 13.957 1.00 50.14 H new ATOM 0 HG1 THR A 66 21.504 35.444 12.342 1.00 49.34 H new ATOM 0 HG21 THR A 66 22.928 35.613 14.264 1.00 49.73 H new ATOM 0 HG22 THR A 66 23.575 34.091 14.922 1.00 49.73 H new ATOM 0 HG23 THR A 66 24.162 34.706 13.358 1.00 49.73 H new ATOM 1058 N LEU A 67 24.535 31.799 14.411 1.00 49.53 N ATOM 1059 CA LEU A 67 25.094 31.264 15.658 1.00 50.07 C ATOM 1060 C LEU A 67 25.746 32.519 16.273 1.00 50.51 C ATOM 1061 O LEU A 67 26.355 33.237 15.464 1.00 49.49 O ATOM 1062 CB LEU A 67 26.122 30.158 15.386 1.00 49.82 C ATOM 1063 CG LEU A 67 25.646 29.043 14.445 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.780 28.059 14.187 1.00 49.73 C ATOM 1065 CD2 LEU A 67 24.449 28.334 15.059 1.00 49.73 C ATOM 0 H LEU A 67 25.220 32.191 13.764 1.00 49.53 H new ATOM 0 HA LEU A 67 24.358 30.791 16.308 1.00 50.07 H new ATOM 0 HB2 LEU A 67 27.017 30.612 14.962 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.411 29.711 16.337 1.00 49.82 H new ATOM 0 HG LEU A 67 25.345 29.477 13.491 1.00 49.91 H new ATOM 0 HD11 LEU A 67 26.433 27.271 13.518 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.618 28.582 13.727 1.00 49.73 H new ATOM 0 HD13 LEU A 67 27.101 27.618 15.131 1.00 49.73 H new ATOM 0 HD21 LEU A 67 24.112 27.543 14.390 1.00 49.73 H new ATOM 0 HD22 LEU A 67 24.735 27.901 16.018 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.641 29.049 15.211 1.00 49.73 H new ATOM 1077 N HIS A 68 25.624 32.701 17.539 1.00 49.53 N ATOM 1078 CA HIS A 68 26.276 33.872 18.174 1.00 50.07 C ATOM 1079 C HIS A 68 27.655 33.384 18.613 1.00 50.51 C ATOM 1080 O HIS A 68 27.802 32.248 19.112 1.00 49.49 O ATOM 1081 CB HIS A 68 25.468 34.386 19.369 1.00 49.92 C ATOM 1082 CG HIS A 68 24.066 34.782 19.023 1.00 50.22 C ATOM 1083 ND1 HIS A 68 23.461 35.907 19.543 1.00 49.30 N ATOM 1084 CD2 HIS A 68 23.152 34.204 18.209 1.00 49.95 C ATOM 1085 CE1 HIS A 68 22.233 36.003 19.064 1.00 50.25 C ATOM 1086 NE2 HIS A 68 22.021 34.983 18.253 1.00 49.64 N ATOM 0 H HIS A 68 25.102 32.094 18.171 1.00 49.53 H new ATOM 0 HA HIS A 68 26.346 34.710 17.481 1.00 50.07 H new ATOM 0 HB2 HIS A 68 25.439 33.612 20.136 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.982 35.244 19.802 1.00 49.92 H new ATOM 0 HD2 HIS A 68 23.286 33.300 17.633 1.00 49.95 H new ATOM 0 HE1 HIS A 68 21.523 36.783 19.296 1.00 50.25 H new ATOM 0 HE2 HIS A 68 21.157 34.802 17.742 1.00 49.64 H new ATOM 1094 N LEU A 69 28.652 34.246 18.499 1.00 49.53 N ATOM 1095 CA LEU A 69 30.004 33.931 18.953 1.00 50.07 C ATOM 1096 C LEU A 69 30.321 34.784 20.143 1.00 50.51 C ATOM 1097 O LEU A 69 30.517 36.036 19.943 1.00 49.49 O ATOM 1098 CB LEU A 69 31.019 34.166 17.827 1.00 49.82 C ATOM 1099 CG LEU A 69 32.492 34.078 18.247 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.810 32.674 18.745 1.00 49.73 C ATOM 1101 CD2 LEU A 69 33.381 34.446 17.069 1.00 49.73 C ATOM 0 H LEU A 69 28.553 35.177 18.093 1.00 49.53 H new ATOM 0 HA LEU A 69 30.063 32.879 19.234 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.838 33.436 17.038 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.839 35.151 17.397 1.00 49.82 H new ATOM 0 HG LEU A 69 32.680 34.779 19.060 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.858 32.621 19.041 1.00 49.73 H new ATOM 0 HD12 LEU A 69 32.179 32.440 19.602 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.621 31.954 17.949 1.00 49.73 H new ATOM 0 HD21 LEU A 69 34.427 34.383 17.369 1.00 49.73 H new ATOM 0 HD22 LEU A 69 33.198 33.756 16.245 1.00 49.73 H new ATOM 0 HD23 LEU A 69 33.156 35.463 16.747 1.00 49.73 H new ATOM 1113 N VAL A 70 30.305 34.262 21.326 1.00 49.53 N ATOM 1114 CA VAL A 70 30.717 35.044 22.526 1.00 50.07 C ATOM 1115 C VAL A 70 32.209 34.801 22.803 1.00 50.51 C ATOM 1116 O VAL A 70 32.675 33.649 22.657 1.00 49.49 O ATOM 1117 CB VAL A 70 29.896 34.658 23.771 1.00 49.91 C ATOM 1118 CG1 VAL A 70 30.384 35.427 24.990 1.00 49.73 C ATOM 1119 CG2 VAL A 70 28.416 34.920 23.535 1.00 49.73 C ATOM 0 H VAL A 70 30.018 33.303 21.524 1.00 49.53 H new ATOM 0 HA VAL A 70 30.535 36.098 22.319 1.00 50.07 H new ATOM 0 HB VAL A 70 30.033 33.593 23.957 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.793 35.142 25.860 1.00 49.73 H new ATOM 0 HG12 VAL A 70 31.433 35.194 25.171 1.00 49.73 H new ATOM 0 HG13 VAL A 70 30.276 36.497 24.812 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.851 34.642 24.425 1.00 49.73 H new ATOM 0 HG22 VAL A 70 28.263 35.978 23.324 1.00 49.73 H new ATOM 0 HG23 VAL A 70 28.072 34.328 22.687 1.00 49.73 H new ATOM 1129 N LEU A 71 32.916 35.814 23.250 1.00 49.53 N ATOM 1130 CA LEU A 71 34.352 35.658 23.575 1.00 50.07 C ATOM 1131 C LEU A 71 34.436 35.668 25.078 1.00 50.51 C ATOM 1132 O LEU A 71 34.334 36.730 25.723 1.00 49.49 O ATOM 1133 CB LEU A 71 35.180 36.794 22.961 1.00 49.82 C ATOM 1134 CG LEU A 71 36.647 36.846 23.408 1.00 49.91 C ATOM 1135 CD1 LEU A 71 37.434 35.722 22.751 1.00 49.73 C ATOM 1136 CD2 LEU A 71 37.239 38.202 23.051 1.00 49.73 C ATOM 0 H LEU A 71 32.544 36.751 23.402 1.00 49.53 H new ATOM 0 HA LEU A 71 34.758 34.733 23.164 1.00 50.07 H new ATOM 0 HB2 LEU A 71 35.150 36.699 21.876 1.00 49.82 H new ATOM 0 HB3 LEU A 71 34.707 37.744 23.211 1.00 49.82 H new ATOM 0 HG LEU A 71 36.703 36.713 24.488 1.00 49.91 H new ATOM 0 HD11 LEU A 71 38.474 35.768 23.075 1.00 49.73 H new ATOM 0 HD12 LEU A 71 37.006 34.762 23.039 1.00 49.73 H new ATOM 0 HD13 LEU A 71 37.387 35.830 21.667 1.00 49.73 H new ATOM 0 HD21 LEU A 71 38.281 38.239 23.369 1.00 49.73 H new ATOM 0 HD22 LEU A 71 37.183 38.351 21.973 1.00 49.73 H new ATOM 0 HD23 LEU A 71 36.678 38.988 23.556 1.00 49.73 H new ATOM 1148 N ARG A 72 34.668 34.552 25.663 1.00 49.53 N ATOM 1149 CA ARG A 72 34.838 34.415 27.125 1.00 50.07 C ATOM 1150 C ARG A 72 36.189 34.999 27.532 1.00 50.51 C ATOM 1151 O ARG A 72 37.146 34.625 26.781 1.00 49.49 O ATOM 1152 CB ARG A 72 34.674 32.980 27.598 1.00 49.82 C ATOM 1153 CG ARG A 72 34.964 32.755 29.074 1.00 49.82 C ATOM 1154 CD ARG A 72 34.754 31.358 29.534 1.00 50.20 C ATOM 1155 NE ARG A 72 34.965 31.154 30.958 1.00 49.30 N ATOM 1156 CZ ARG A 72 36.160 30.899 31.526 1.00 50.64 C ATOM 1157 NH1 ARG A 72 37.246 30.777 30.793 1.00 49.20 N ATOM 1158 NH2 ARG A 72 36.209 30.749 32.837 1.00 49.20 N ATOM 0 H ARG A 72 34.753 33.669 25.159 1.00 49.53 H new ATOM 0 HA ARG A 72 34.045 34.977 27.618 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.653 32.659 27.390 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.335 32.342 27.011 1.00 49.82 H new ATOM 0 HG2 ARG A 72 35.996 33.040 29.277 1.00 49.82 H new ATOM 0 HG3 ARG A 72 34.329 33.418 29.662 1.00 49.82 H new ATOM 0 HD2 ARG A 72 33.737 31.055 29.283 1.00 50.20 H new ATOM 0 HD3 ARG A 72 35.427 30.702 28.982 1.00 50.20 H new ATOM 0 HE ARG A 72 34.151 31.208 31.570 1.00 49.30 H new ATOM 0 HH11 ARG A 72 37.191 30.876 29.779 1.00 49.20 H new ATOM 0 HH12 ARG A 72 38.143 30.584 31.239 1.00 49.20 H new ATOM 0 HH21 ARG A 72 35.356 30.827 33.391 1.00 49.20 H new ATOM 0 HH22 ARG A 72 37.099 30.555 33.295 1.00 49.20 H new ATOM 1172 N LEU A 73 36.289 35.790 28.548 1.00 49.53 N ATOM 1173 CA LEU A 73 37.610 36.358 28.919 1.00 50.07 C ATOM 1174 C LEU A 73 38.455 35.704 30.003 1.00 50.51 C ATOM 1175 O LEU A 73 38.151 35.801 31.201 1.00 49.49 O ATOM 1176 CB LEU A 73 37.422 37.839 29.278 1.00 49.82 C ATOM 1177 CG LEU A 73 37.071 38.756 28.100 1.00 49.91 C ATOM 1178 CD1 LEU A 73 36.611 40.113 28.616 1.00 49.73 C ATOM 1179 CD2 LEU A 73 38.282 38.906 27.192 1.00 49.73 C ATOM 0 H LEU A 73 35.511 36.073 29.145 1.00 49.53 H new ATOM 0 HA LEU A 73 38.198 36.162 28.023 1.00 50.07 H new ATOM 0 HB2 LEU A 73 36.634 37.918 30.027 1.00 49.82 H new ATOM 0 HB3 LEU A 73 38.339 38.204 29.741 1.00 49.82 H new ATOM 0 HG LEU A 73 36.257 38.315 27.525 1.00 49.91 H new ATOM 0 HD11 LEU A 73 36.364 40.758 27.773 1.00 49.73 H new ATOM 0 HD12 LEU A 73 35.730 39.984 29.245 1.00 49.73 H new ATOM 0 HD13 LEU A 73 37.410 40.570 29.200 1.00 49.73 H new ATOM 0 HD21 LEU A 73 38.031 39.558 26.355 1.00 49.73 H new ATOM 0 HD22 LEU A 73 39.108 39.340 27.756 1.00 49.73 H new ATOM 0 HD23 LEU A 73 38.576 37.927 26.814 1.00 49.73 H new ATOM 1191 N ARG A 74 39.485 35.018 29.533 1.00 49.53 N ATOM 1192 CA ARG A 74 40.420 34.303 30.416 1.00 50.07 C ATOM 1193 C ARG A 74 41.306 35.227 31.249 1.00 50.51 C ATOM 1194 O ARG A 74 42.496 35.417 30.939 1.00 49.49 O ATOM 1195 CB ARG A 74 41.259 33.292 29.648 1.00 49.82 C ATOM 1196 CG ARG A 74 42.024 32.305 30.515 1.00 49.82 C ATOM 1197 CD ARG A 74 42.547 31.124 29.783 1.00 50.20 C ATOM 1198 NE ARG A 74 43.278 30.178 30.610 1.00 49.30 N ATOM 1199 CZ ARG A 74 42.706 29.244 31.394 1.00 50.64 C ATOM 1200 NH1 ARG A 74 41.397 29.151 31.491 1.00 49.20 N ATOM 1201 NH2 ARG A 74 43.494 28.437 32.083 1.00 49.20 N ATOM 0 H ARG A 74 39.703 34.936 28.540 1.00 49.53 H new ATOM 0 HA ARG A 74 39.792 33.763 31.124 1.00 50.07 H new ATOM 0 HB2 ARG A 74 40.605 32.734 28.978 1.00 49.82 H new ATOM 0 HB3 ARG A 74 41.970 33.832 29.023 1.00 49.82 H new ATOM 0 HG2 ARG A 74 42.859 32.824 30.986 1.00 49.82 H new ATOM 0 HG3 ARG A 74 41.370 31.961 31.316 1.00 49.82 H new ATOM 0 HD2 ARG A 74 41.712 30.606 29.311 1.00 50.20 H new ATOM 0 HD3 ARG A 74 43.201 31.469 28.982 1.00 50.20 H new ATOM 0 HE ARG A 74 44.297 30.225 30.596 1.00 49.30 H new ATOM 0 HH11 ARG A 74 40.800 29.792 30.968 1.00 49.20 H new ATOM 0 HH12 ARG A 74 40.979 28.438 32.089 1.00 49.20 H new ATOM 0 HH21 ARG A 74 44.507 28.531 32.013 1.00 49.20 H new ATOM 0 HH22 ARG A 74 43.089 27.720 32.685 1.00 49.20 H new ATOM 1215 N GLY A 75 40.675 35.861 32.230 1.00 49.53 N ATOM 1216 CA GLY A 75 41.342 36.775 33.147 1.00 49.98 C ATOM 1217 C GLY A 75 40.517 38.047 33.131 1.00 50.51 C ATOM 1218 O GLY A 75 39.787 38.352 32.173 1.00 49.49 O ATOM 0 H GLY A 75 39.677 35.754 32.412 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.393 36.354 34.151 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.367 36.969 32.830 1.00 49.98 H new ATOM 1222 N GLY A 76 40.688 38.804 34.199 1.00 49.53 N ATOM 1223 CA GLY A 76 40.020 40.094 34.426 1.00 49.98 C ATOM 1224 C GLY A 76 39.702 40.217 35.925 1.00 50.51 C ATOM 1225 O GLY A 76 38.583 40.682 36.216 1.00 49.49 O ATOM 0 H GLY A 76 41.312 38.540 34.961 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.661 40.915 34.106 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.105 40.156 33.838 1.00 49.98 H new