USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 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 Set 1.1: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.113) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.29 (180deg=1.12) USER MOD Single : A 2 GLN :FLIP amide:sc= -1.02 F(o=-2!,f=-1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -66:sc= 0.912 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 169:sc=-0.00851 (180deg=-0.128) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 23:sc= 0.557 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= -0.0244 K(o=-0.024,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 0.206 (180deg=0.0958) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.22 K(o=-1.2,f=-4.9!) USER MOD Single : A 33 LYS NZ :NH3+ -123:sc= -0.375 (180deg=-3.03!) USER MOD Single : A 40 GLN : amide:sc= -4.69! C(o=-4.7!,f=-7!) USER MOD Single : A 41 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0734) USER MOD Single : A 49 GLN : amide:sc= -5.45! C(o=-5.4!,f=-19!) USER MOD Single : A 59 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 62 GLN : amide:sc=-0.00403 K(o=-0.004,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0444) USER MOD Single : A 65 SER OG : rot 75:sc= 1.03 USER MOD Single : A 66 THR OG1 : rot 180: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 26.923 24.718 2.930 1.00 49.53 N ATOM 2 CA MET A 1 25.845 25.687 3.195 1.00 50.07 C ATOM 3 C MET A 1 26.508 27.001 3.670 1.00 50.51 C ATOM 4 O MET A 1 27.701 26.987 3.974 1.00 49.49 O ATOM 5 CB MET A 1 24.880 25.150 4.250 1.00 49.82 C ATOM 6 CG MET A 1 23.551 25.886 4.323 1.00 49.86 C ATOM 7 SD MET A 1 22.430 25.181 5.547 1.00 49.91 S ATOM 8 CE MET A 1 21.902 23.691 4.705 1.00 49.78 C ATOM 0 H1 MET A 1 26.559 23.948 2.333 1.00 49.53 H new ATOM 0 H2 MET A 1 27.706 25.195 2.440 1.00 49.53 H new ATOM 0 H3 MET A 1 27.266 24.326 3.830 1.00 49.53 H new ATOM 0 HA MET A 1 25.261 25.863 2.291 1.00 50.07 H new ATOM 0 HB2 MET A 1 24.687 24.097 4.045 1.00 49.82 H new ATOM 0 HB3 MET A 1 25.363 25.201 5.226 1.00 49.82 H new ATOM 0 HG2 MET A 1 23.733 26.933 4.564 1.00 49.86 H new ATOM 0 HG3 MET A 1 23.074 25.863 3.343 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.064 23.247 5.242 1.00 49.78 H new ATOM 0 HE2 MET A 1 21.592 23.937 3.689 1.00 49.78 H new ATOM 0 HE3 MET A 1 22.728 22.981 4.670 1.00 49.78 H new ATOM 18 N GLN A 2 25.705 28.022 3.706 1.00 49.53 N ATOM 19 CA GLN A 2 26.227 29.340 4.188 1.00 50.07 C ATOM 20 C GLN A 2 25.460 29.647 5.465 1.00 50.51 C ATOM 21 O GLN A 2 24.203 29.555 5.547 1.00 49.49 O ATOM 22 CB GLN A 2 26.004 30.440 3.146 1.00 49.82 C ATOM 23 CG GLN A 2 26.311 31.841 3.645 1.00 49.82 C ATOM 24 CD GLN A 2 25.966 32.908 2.623 1.00 50.55 C ATOM 25 OE1 GLN A 2 25.207 32.526 1.603 1.00 49.45 O flip ATOM 26 NE2 GLN A 2 26.375 34.066 2.752 1.00 49.38 N flip ATOM 0 H GLN A 2 24.723 28.010 3.429 1.00 49.53 H new ATOM 0 HA GLN A 2 27.302 29.297 4.363 1.00 50.07 H new ATOM 0 HB2 GLN A 2 26.626 30.232 2.276 1.00 49.82 H new ATOM 0 HB3 GLN A 2 24.967 30.404 2.812 1.00 49.82 H new ATOM 0 HG2 GLN A 2 25.753 32.027 4.563 1.00 49.82 H new ATOM 0 HG3 GLN A 2 27.370 31.911 3.896 1.00 49.82 H new ATOM 0 HE21 GLN A 2 26.956 34.315 3.552 1.00 49.38 H new ATOM 0 HE22 GLN A 2 26.132 34.773 2.058 1.00 49.38 H new ATOM 35 N ILE A 3 26.210 29.960 6.511 1.00 49.53 N ATOM 36 CA ILE A 3 25.598 30.422 7.770 1.00 50.07 C ATOM 37 C ILE A 3 26.349 31.739 8.131 1.00 50.51 C ATOM 38 O ILE A 3 27.374 31.957 7.507 1.00 49.49 O ATOM 39 CB ILE A 3 25.752 29.396 8.908 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.226 29.239 9.290 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.158 28.056 8.500 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.443 28.570 10.628 1.00 49.73 C ATOM 0 H ILE A 3 27.229 29.907 6.525 1.00 49.53 H new ATOM 0 HA ILE A 3 24.525 30.567 7.645 1.00 50.07 H new ATOM 0 HB ILE A 3 25.208 29.761 9.780 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.732 28.659 8.518 1.00 49.82 H new ATOM 0 HG13 ILE A 3 27.694 30.223 9.307 1.00 49.82 H new ATOM 0 HG21 ILE A 3 25.275 27.343 9.316 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.098 28.181 8.276 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.674 27.684 7.615 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.512 28.495 10.828 1.00 49.73 H new ATOM 0 HD12 ILE A 3 26.968 29.160 11.411 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.006 27.572 10.611 1.00 49.73 H new ATOM 54 N PHE A 4 25.746 32.451 9.053 1.00 49.53 N ATOM 55 CA PHE A 4 26.407 33.742 9.476 1.00 50.07 C ATOM 56 C PHE A 4 26.725 33.731 10.945 1.00 50.51 C ATOM 57 O PHE A 4 25.964 33.065 11.664 1.00 49.49 O ATOM 58 CB PHE A 4 25.511 34.936 9.140 1.00 49.82 C ATOM 59 CG PHE A 4 25.306 35.144 7.666 1.00 50.00 C ATOM 60 CD1 PHE A 4 26.190 35.916 6.930 1.00 49.88 C ATOM 61 CD2 PHE A 4 24.226 34.566 7.015 1.00 49.88 C ATOM 62 CE1 PHE A 4 26.001 36.108 5.575 1.00 49.88 C ATOM 63 CE2 PHE A 4 24.036 34.755 5.659 1.00 49.88 C ATOM 64 CZ PHE A 4 24.923 35.527 4.939 1.00 49.88 C ATOM 0 H PHE A 4 24.868 32.217 9.516 1.00 49.53 H new ATOM 0 HA PHE A 4 27.343 33.836 8.925 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.541 34.796 9.616 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.948 35.838 9.568 1.00 49.82 H new ATOM 0 HD1 PHE A 4 27.036 36.373 7.421 1.00 49.88 H new ATOM 0 HD2 PHE A 4 23.526 33.962 7.574 1.00 49.88 H new ATOM 0 HE1 PHE A 4 26.697 36.713 5.013 1.00 49.88 H new ATOM 0 HE2 PHE A 4 23.192 34.298 5.163 1.00 49.88 H new ATOM 0 HZ PHE A 4 24.774 35.677 3.880 1.00 49.88 H new ATOM 74 N VAL A 5 27.757 34.416 11.425 1.00 49.53 N ATOM 75 CA VAL A 5 28.034 34.497 12.844 1.00 50.07 C ATOM 76 C VAL A 5 28.059 35.974 13.303 1.00 50.51 C ATOM 77 O VAL A 5 28.542 36.742 12.461 1.00 49.49 O ATOM 78 CB VAL A 5 29.378 33.832 13.200 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.592 33.838 14.707 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.427 32.410 12.662 1.00 49.73 C ATOM 0 H VAL A 5 28.419 34.926 10.840 1.00 49.53 H new ATOM 0 HA VAL A 5 27.237 33.963 13.361 1.00 50.07 H new ATOM 0 HB VAL A 5 30.180 34.405 12.735 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.546 33.365 14.941 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.598 34.866 15.069 1.00 49.73 H new ATOM 0 HG13 VAL A 5 28.785 33.288 15.191 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.383 31.955 12.922 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.617 31.827 13.100 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.317 32.427 11.578 1.00 49.73 H new ATOM 90 N LYS A 6 27.553 36.242 14.456 1.00 49.53 N ATOM 91 CA LYS A 6 27.500 37.661 14.953 1.00 50.07 C ATOM 92 C LYS A 6 28.646 37.880 15.902 1.00 50.51 C ATOM 93 O LYS A 6 28.884 37.050 16.810 1.00 49.49 O ATOM 94 CB LYS A 6 26.166 37.946 15.644 1.00 49.82 C ATOM 95 CG LYS A 6 24.965 37.967 14.709 1.00 49.82 C ATOM 96 CD LYS A 6 24.936 39.236 13.871 1.00 49.82 C ATOM 97 CE LYS A 6 23.691 39.297 12.999 1.00 50.21 C ATOM 98 NZ LYS A 6 23.654 40.531 12.167 1.00 49.70 N ATOM 0 H LYS A 6 27.166 35.547 15.094 1.00 49.53 H new ATOM 0 HA LYS A 6 27.584 38.346 14.109 1.00 50.07 H new ATOM 0 HB2 LYS A 6 26.000 37.191 16.412 1.00 49.82 H new ATOM 0 HB3 LYS A 6 26.232 38.908 16.152 1.00 49.82 H new ATOM 0 HG2 LYS A 6 24.997 37.097 14.053 1.00 49.82 H new ATOM 0 HG3 LYS A 6 24.047 37.893 15.292 1.00 49.82 H new ATOM 0 HD2 LYS A 6 24.966 40.107 14.526 1.00 49.82 H new ATOM 0 HD3 LYS A 6 25.825 39.279 13.242 1.00 49.82 H new ATOM 0 HE2 LYS A 6 23.659 38.421 12.351 1.00 50.21 H new ATOM 0 HE3 LYS A 6 22.803 39.259 13.631 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 22.790 40.534 11.588 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 23.659 41.367 12.786 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 24.487 40.556 11.545 1.00 49.70 H new ATOM 112 N THR A 7 29.393 38.992 15.722 1.00 49.53 N ATOM 113 CA THR A 7 30.529 39.273 16.614 1.00 50.07 C ATOM 114 C THR A 7 30.277 40.442 17.568 1.00 50.51 C ATOM 115 O THR A 7 29.345 41.206 17.308 1.00 49.49 O ATOM 116 CB THR A 7 31.810 39.561 15.808 1.00 50.14 C ATOM 117 OG1 THR A 7 31.705 40.846 15.183 1.00 49.34 O ATOM 118 CG2 THR A 7 32.021 38.498 14.743 1.00 49.73 C ATOM 0 H THR A 7 29.235 39.686 14.991 1.00 49.53 H new ATOM 0 HA THR A 7 30.654 38.371 17.214 1.00 50.07 H new ATOM 0 HB THR A 7 32.660 39.550 16.490 1.00 50.14 H new ATOM 0 HG1 THR A 7 30.997 40.823 14.506 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.930 38.718 14.184 1.00 49.73 H new ATOM 0 HG22 THR A 7 32.114 37.521 15.217 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.170 38.491 14.062 1.00 49.73 H new ATOM 126 N LEU A 8 31.198 40.715 18.467 1.00 49.53 N ATOM 127 CA LEU A 8 31.006 41.802 19.454 1.00 50.07 C ATOM 128 C LEU A 8 31.274 43.207 18.954 1.00 50.51 C ATOM 129 O LEU A 8 31.251 44.160 19.758 1.00 49.49 O ATOM 130 CB LEU A 8 31.869 41.526 20.690 1.00 49.82 C ATOM 131 CG LEU A 8 31.393 40.365 21.573 1.00 49.91 C ATOM 132 CD1 LEU A 8 32.384 40.130 22.705 1.00 49.73 C ATOM 133 CD2 LEU A 8 30.010 40.679 22.124 1.00 49.73 C ATOM 0 H LEU A 8 32.084 40.216 18.550 1.00 49.53 H new ATOM 0 HA LEU A 8 29.941 41.786 19.687 1.00 50.07 H new ATOM 0 HB2 LEU A 8 32.888 41.319 20.363 1.00 49.82 H new ATOM 0 HB3 LEU A 8 31.907 42.431 21.296 1.00 49.82 H new ATOM 0 HG LEU A 8 31.334 39.455 20.976 1.00 49.91 H new ATOM 0 HD11 LEU A 8 32.038 39.304 23.326 1.00 49.73 H new ATOM 0 HD12 LEU A 8 33.361 39.886 22.288 1.00 49.73 H new ATOM 0 HD13 LEU A 8 32.464 41.032 23.312 1.00 49.73 H new ATOM 0 HD21 LEU A 8 29.672 39.854 22.751 1.00 49.73 H new ATOM 0 HD22 LEU A 8 30.054 41.592 22.718 1.00 49.73 H new ATOM 0 HD23 LEU A 8 29.312 40.816 21.298 1.00 49.73 H new ATOM 145 N THR A 9 31.498 43.373 17.637 1.00 49.53 N ATOM 146 CA THR A 9 31.758 44.784 17.192 1.00 50.07 C ATOM 147 C THR A 9 31.012 45.103 15.933 1.00 50.51 C ATOM 148 O THR A 9 31.311 46.081 15.223 1.00 49.49 O ATOM 149 CB THR A 9 33.260 45.035 16.963 1.00 50.14 C ATOM 150 OG1 THR A 9 34.013 44.471 18.043 1.00 49.34 O ATOM 151 CG2 THR A 9 33.544 46.528 16.878 1.00 49.73 C ATOM 0 H THR A 9 31.509 42.648 16.920 1.00 49.53 H new ATOM 0 HA THR A 9 31.407 45.435 17.993 1.00 50.07 H new ATOM 0 HB THR A 9 33.552 44.565 16.024 1.00 50.14 H new ATOM 0 HG1 THR A 9 34.968 44.631 17.894 1.00 49.34 H new ATOM 0 HG21 THR A 9 34.610 46.687 16.716 1.00 49.73 H new ATOM 0 HG22 THR A 9 32.983 46.958 16.049 1.00 49.73 H new ATOM 0 HG23 THR A 9 33.243 47.009 17.808 1.00 49.73 H new ATOM 159 N GLY A 10 30.081 44.283 15.553 1.00 49.53 N ATOM 160 CA GLY A 10 29.280 44.469 14.364 1.00 49.98 C ATOM 161 C GLY A 10 29.910 43.934 13.113 1.00 50.51 C ATOM 162 O GLY A 10 29.380 44.139 11.999 1.00 49.49 O ATOM 0 H GLY A 10 29.844 43.437 16.072 1.00 49.53 H new ATOM 0 HA2 GLY A 10 28.315 43.983 14.509 1.00 49.98 H new ATOM 0 HA3 GLY A 10 29.084 45.533 14.233 1.00 49.98 H new ATOM 166 N LYS A 11 31.002 43.228 13.270 1.00 49.53 N ATOM 167 CA LYS A 11 31.665 42.556 12.161 1.00 50.07 C ATOM 168 C LYS A 11 30.827 41.265 12.018 1.00 50.51 C ATOM 169 O LYS A 11 30.656 40.600 13.035 1.00 49.49 O ATOM 170 CB LYS A 11 33.129 42.248 12.477 1.00 49.82 C ATOM 171 CG LYS A 11 34.054 43.456 12.413 1.00 49.82 C ATOM 172 CD LYS A 11 35.441 43.120 12.940 1.00 49.82 C ATOM 173 CE LYS A 11 36.382 44.311 12.824 1.00 50.21 C ATOM 174 NZ LYS A 11 35.927 45.461 13.650 1.00 49.70 N ATOM 0 H LYS A 11 31.464 43.098 14.170 1.00 49.53 H new ATOM 0 HA LYS A 11 31.706 43.154 11.251 1.00 50.07 H new ATOM 0 HB2 LYS A 11 33.189 41.812 13.474 1.00 49.82 H new ATOM 0 HB3 LYS A 11 33.488 41.493 11.777 1.00 49.82 H new ATOM 0 HG2 LYS A 11 34.129 43.805 11.383 1.00 49.82 H new ATOM 0 HG3 LYS A 11 33.629 44.273 12.996 1.00 49.82 H new ATOM 0 HD2 LYS A 11 35.371 42.810 13.983 1.00 49.82 H new ATOM 0 HD3 LYS A 11 35.849 42.276 12.383 1.00 49.82 H new ATOM 0 HE2 LYS A 11 37.383 44.014 13.136 1.00 50.21 H new ATOM 0 HE3 LYS A 11 36.451 44.619 11.781 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 36.680 46.177 13.693 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 35.076 45.879 13.224 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 35.707 45.132 14.612 1.00 49.70 H new ATOM 188 N THR A 12 30.410 40.966 10.802 1.00 49.53 N ATOM 189 CA THR A 12 29.682 39.695 10.620 1.00 50.07 C ATOM 190 C THR A 12 30.628 38.702 9.945 1.00 50.51 C ATOM 191 O THR A 12 31.334 39.151 9.039 1.00 49.49 O ATOM 192 CB THR A 12 28.417 39.873 9.760 1.00 50.14 C ATOM 193 OG1 THR A 12 27.474 40.698 10.455 1.00 49.34 O ATOM 194 CG2 THR A 12 27.781 38.523 9.461 1.00 49.73 C ATOM 0 H THR A 12 30.543 41.534 9.966 1.00 49.53 H new ATOM 0 HA THR A 12 29.359 39.331 11.595 1.00 50.07 H new ATOM 0 HB THR A 12 28.700 40.347 8.820 1.00 50.14 H new ATOM 0 HG1 THR A 12 26.671 40.811 9.905 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.888 38.668 8.852 1.00 49.73 H new ATOM 0 HG22 THR A 12 28.491 37.898 8.920 1.00 49.73 H new ATOM 0 HG23 THR A 12 27.507 38.035 10.396 1.00 49.73 H new ATOM 202 N ILE A 13 30.604 37.458 10.419 1.00 49.53 N ATOM 203 CA ILE A 13 31.531 36.502 9.741 1.00 50.07 C ATOM 204 C ILE A 13 30.719 35.603 8.850 1.00 50.51 C ATOM 205 O ILE A 13 29.563 35.278 9.183 1.00 49.49 O ATOM 206 CB ILE A 13 32.320 35.651 10.753 1.00 49.91 C ATOM 207 CG1 ILE A 13 33.207 36.544 11.624 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.157 34.607 10.030 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.986 35.790 12.677 1.00 49.73 C ATOM 0 H ILE A 13 30.030 37.098 11.181 1.00 49.53 H new ATOM 0 HA ILE A 13 32.256 37.073 9.161 1.00 50.07 H new ATOM 0 HB ILE A 13 31.611 35.135 11.400 1.00 49.91 H new ATOM 0 HG12 ILE A 13 33.906 37.081 10.983 1.00 49.82 H new ATOM 0 HG13 ILE A 13 32.584 37.293 12.113 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.709 34.014 10.759 1.00 49.73 H new ATOM 0 HG22 ILE A 13 32.504 33.954 9.451 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.859 35.104 9.361 1.00 49.73 H new ATOM 0 HD11 ILE A 13 34.591 36.490 13.253 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.293 35.275 13.343 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.637 35.060 12.195 1.00 49.73 H new ATOM 221 N THR A 14 31.278 35.165 7.743 1.00 49.53 N ATOM 222 CA THR A 14 30.475 34.239 6.891 1.00 50.07 C ATOM 223 C THR A 14 31.113 32.875 6.861 1.00 50.51 C ATOM 224 O THR A 14 32.304 32.741 6.477 1.00 49.49 O ATOM 225 CB THR A 14 30.336 34.768 5.452 1.00 50.14 C ATOM 226 OG1 THR A 14 31.638 34.935 4.874 1.00 49.34 O ATOM 227 CG2 THR A 14 29.605 36.101 5.440 1.00 49.73 C ATOM 0 H THR A 14 32.213 35.397 7.407 1.00 49.53 H new ATOM 0 HA THR A 14 29.479 34.172 7.330 1.00 50.07 H new ATOM 0 HB THR A 14 29.762 34.047 4.870 1.00 50.14 H new ATOM 0 HG1 THR A 14 32.278 34.356 5.337 1.00 49.34 H new ATOM 0 HG21 THR A 14 29.517 36.458 4.414 1.00 49.73 H new ATOM 0 HG22 THR A 14 28.610 35.974 5.867 1.00 49.73 H new ATOM 0 HG23 THR A 14 30.163 36.827 6.030 1.00 49.73 H new ATOM 235 N LEU A 15 30.372 31.826 7.179 1.00 49.53 N ATOM 236 CA LEU A 15 30.903 30.480 7.193 1.00 50.07 C ATOM 237 C LEU A 15 30.401 29.483 6.142 1.00 50.51 C ATOM 238 O LEU A 15 29.186 29.424 6.010 1.00 49.49 O ATOM 239 CB LEU A 15 30.696 29.876 8.588 1.00 49.82 C ATOM 240 CG LEU A 15 31.377 30.634 9.735 1.00 49.91 C ATOM 241 CD1 LEU A 15 30.986 30.019 11.071 1.00 49.73 C ATOM 242 CD2 LEU A 15 32.886 30.598 9.545 1.00 49.73 C ATOM 0 H LEU A 15 29.386 31.887 7.434 1.00 49.53 H new ATOM 0 HA LEU A 15 31.949 30.624 6.923 1.00 50.07 H new ATOM 0 HB2 LEU A 15 29.626 29.828 8.790 1.00 49.82 H new ATOM 0 HB3 LEU A 15 31.066 28.851 8.581 1.00 49.82 H new ATOM 0 HG LEU A 15 31.049 31.673 9.729 1.00 49.91 H new ATOM 0 HD11 LEU A 15 31.474 30.564 11.879 1.00 49.73 H new ATOM 0 HD12 LEU A 15 29.905 30.077 11.196 1.00 49.73 H new ATOM 0 HD13 LEU A 15 31.299 28.975 11.096 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.368 31.137 10.361 1.00 49.73 H new ATOM 0 HD22 LEU A 15 33.228 29.563 9.542 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.145 31.068 8.596 1.00 49.73 H new ATOM 254 N GLU A 16 31.333 28.771 5.554 1.00 49.53 N ATOM 255 CA GLU A 16 30.883 27.688 4.621 1.00 50.07 C ATOM 256 C GLU A 16 31.275 26.350 5.209 1.00 50.51 C ATOM 257 O GLU A 16 32.446 26.157 5.532 1.00 49.49 O ATOM 258 CB GLU A 16 31.505 27.869 3.235 1.00 49.82 C ATOM 259 CG GLU A 16 31.225 26.728 2.266 1.00 49.72 C ATOM 260 CD GLU A 16 31.558 27.117 0.853 1.00 50.62 C ATOM 261 OE1 GLU A 16 31.999 28.223 0.650 1.00 49.24 O ATOM 262 OE2 GLU A 16 31.479 26.274 -0.009 1.00 49.24 O ATOM 0 H GLU A 16 32.340 28.883 5.670 1.00 49.53 H new ATOM 0 HA GLU A 16 29.800 27.736 4.503 1.00 50.07 H new ATOM 0 HB2 GLU A 16 31.133 28.797 2.802 1.00 49.82 H new ATOM 0 HB3 GLU A 16 32.584 27.979 3.346 1.00 49.82 H new ATOM 0 HG2 GLU A 16 31.810 25.854 2.552 1.00 49.72 H new ATOM 0 HG3 GLU A 16 30.175 26.444 2.329 1.00 49.72 H new ATOM 269 N VAL A 17 30.233 25.565 5.444 1.00 49.53 N ATOM 270 CA VAL A 17 30.380 24.246 6.050 1.00 50.07 C ATOM 271 C VAL A 17 29.410 23.191 5.500 1.00 50.51 C ATOM 272 O VAL A 17 28.496 23.489 4.697 1.00 49.49 O ATOM 273 CB VAL A 17 30.209 24.320 7.579 1.00 49.91 C ATOM 274 CG1 VAL A 17 31.281 25.207 8.194 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.823 24.836 7.937 1.00 49.73 C ATOM 0 H VAL A 17 29.270 25.819 5.223 1.00 49.53 H new ATOM 0 HA VAL A 17 31.389 23.929 5.788 1.00 50.07 H new ATOM 0 HB VAL A 17 30.318 23.314 7.985 1.00 49.91 H new ATOM 0 HG11 VAL A 17 31.144 25.247 9.275 1.00 49.73 H new ATOM 0 HG12 VAL A 17 32.266 24.798 7.968 1.00 49.73 H new ATOM 0 HG13 VAL A 17 31.202 26.213 7.781 1.00 49.73 H new ATOM 0 HG21 VAL A 17 28.721 24.881 9.021 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.686 25.833 7.517 1.00 49.73 H new ATOM 0 HG23 VAL A 17 28.068 24.164 7.529 1.00 49.73 H new ATOM 285 N GLU A 18 29.694 21.982 5.932 1.00 49.53 N ATOM 286 CA GLU A 18 28.866 20.807 5.655 1.00 50.07 C ATOM 287 C GLU A 18 28.297 20.348 6.990 1.00 50.51 C ATOM 288 O GLU A 18 28.902 20.533 8.035 1.00 49.49 O ATOM 289 CB GLU A 18 29.689 19.694 5.001 1.00 49.82 C ATOM 290 CG GLU A 18 30.273 20.059 3.644 1.00 49.72 C ATOM 291 CD GLU A 18 31.091 18.932 3.080 1.00 50.62 C ATOM 292 OE1 GLU A 18 30.559 17.860 2.918 1.00 49.24 O ATOM 293 OE2 GLU A 18 32.216 19.170 2.705 1.00 49.24 O ATOM 0 H GLU A 18 30.518 21.774 6.496 1.00 49.53 H new ATOM 0 HA GLU A 18 28.068 21.054 4.955 1.00 50.07 H new ATOM 0 HB2 GLU A 18 30.503 19.419 5.671 1.00 49.82 H new ATOM 0 HB3 GLU A 18 29.059 18.812 4.886 1.00 49.82 H new ATOM 0 HG2 GLU A 18 29.467 20.307 2.954 1.00 49.72 H new ATOM 0 HG3 GLU A 18 30.895 20.949 3.741 1.00 49.72 H new ATOM 300 N PRO A 19 27.105 19.783 6.968 1.00 49.71 N ATOM 301 CA PRO A 19 26.462 19.253 8.171 1.00 50.02 C ATOM 302 C PRO A 19 27.337 18.252 8.883 1.00 50.51 C ATOM 303 O PRO A 19 27.182 17.993 10.086 1.00 49.49 O ATOM 304 CB PRO A 19 25.176 18.585 7.634 1.00 49.82 C ATOM 305 CG PRO A 19 24.870 19.391 6.414 1.00 49.82 C ATOM 306 CD PRO A 19 26.263 19.586 5.762 1.00 50.00 C ATOM 0 HA PRO A 19 26.264 20.030 8.909 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.336 17.534 7.395 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.365 18.627 8.361 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.183 18.869 5.748 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.406 20.345 6.667 1.00 49.82 H new ATOM 0 HD2 PRO A 19 26.572 18.719 5.179 1.00 50.00 H new ATOM 0 HD3 PRO A 19 26.290 20.446 5.093 1.00 50.00 H new ATOM 314 N SER A 20 28.246 17.624 8.155 1.00 49.53 N ATOM 315 CA SER A 20 29.104 16.593 8.761 1.00 50.07 C ATOM 316 C SER A 20 30.124 17.063 9.772 1.00 50.51 C ATOM 317 O SER A 20 30.480 16.268 10.658 1.00 49.49 O ATOM 318 CB SER A 20 29.812 15.825 7.661 1.00 50.05 C ATOM 319 OG SER A 20 28.913 15.112 6.856 1.00 49.34 O ATOM 0 H SER A 20 28.415 17.797 7.164 1.00 49.53 H new ATOM 0 HA SER A 20 28.417 15.972 9.336 1.00 50.07 H new ATOM 0 HB2 SER A 20 30.381 16.519 7.042 1.00 50.05 H new ATOM 0 HB3 SER A 20 30.528 15.134 8.105 1.00 50.05 H new ATOM 0 HG SER A 20 29.407 14.632 6.159 1.00 49.34 H new ATOM 325 N ASP A 21 30.677 18.259 9.557 1.00 49.53 N ATOM 326 CA ASP A 21 31.698 18.725 10.532 1.00 50.07 C ATOM 327 C ASP A 21 31.083 18.773 11.906 1.00 50.51 C ATOM 328 O ASP A 21 29.856 18.940 12.052 1.00 49.49 O ATOM 329 CB ASP A 21 32.237 20.103 10.138 1.00 49.72 C ATOM 330 CG ASP A 21 32.999 20.128 8.820 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.476 19.095 8.413 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.966 21.136 8.158 1.00 49.24 O ATOM 0 H ASP A 21 30.466 18.889 8.783 1.00 49.53 H new ATOM 0 HA ASP A 21 32.536 18.028 10.533 1.00 50.07 H new ATOM 0 HB2 ASP A 21 31.402 20.801 10.074 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.894 20.463 10.930 1.00 49.72 H new ATOM 337 N THR A 22 31.928 18.687 12.919 1.00 49.53 N ATOM 338 CA THR A 22 31.502 18.808 14.294 1.00 50.07 C ATOM 339 C THR A 22 31.698 20.288 14.701 1.00 50.51 C ATOM 340 O THR A 22 32.346 21.042 13.969 1.00 49.49 O ATOM 341 CB THR A 22 32.313 17.897 15.235 1.00 50.14 C ATOM 342 OG1 THR A 22 33.712 18.164 15.076 1.00 49.34 O ATOM 343 CG2 THR A 22 32.041 16.433 14.923 1.00 49.73 C ATOM 0 H THR A 22 32.930 18.531 12.806 1.00 49.53 H new ATOM 0 HA THR A 22 30.460 18.499 14.380 1.00 50.07 H new ATOM 0 HB THR A 22 32.013 18.102 16.263 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.226 17.585 15.677 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.622 15.803 15.597 1.00 49.73 H new ATOM 0 HG22 THR A 22 30.980 16.224 15.056 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.326 16.221 13.893 1.00 49.73 H new ATOM 351 N ILE A 23 31.104 20.597 15.853 1.00 49.53 N ATOM 352 CA ILE A 23 31.257 21.925 16.443 1.00 50.07 C ATOM 353 C ILE A 23 32.727 22.204 16.765 1.00 50.51 C ATOM 354 O ILE A 23 33.165 23.358 16.908 1.00 49.49 O ATOM 355 CB ILE A 23 30.419 22.076 17.725 1.00 49.91 C ATOM 356 CG1 ILE A 23 28.942 21.794 17.435 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.592 23.468 18.314 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.275 22.849 16.582 1.00 49.73 C ATOM 0 H ILE A 23 30.520 19.955 16.390 1.00 49.53 H new ATOM 0 HA ILE A 23 30.900 22.647 15.708 1.00 50.07 H new ATOM 0 HB ILE A 23 30.771 21.348 18.456 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.857 20.829 16.935 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.405 21.711 18.380 1.00 49.82 H new ATOM 0 HG21 ILE A 23 29.992 23.557 19.220 1.00 49.73 H new ATOM 0 HG22 ILE A 23 31.642 23.633 18.556 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.266 24.213 17.588 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.231 22.580 16.420 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.326 23.813 17.089 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.786 22.917 15.621 1.00 49.73 H new ATOM 370 N GLU A 24 33.506 21.155 16.883 1.00 49.53 N ATOM 371 CA GLU A 24 34.976 21.328 17.131 1.00 50.07 C ATOM 372 C GLU A 24 35.715 21.905 15.949 1.00 50.51 C ATOM 373 O GLU A 24 36.509 22.867 16.084 1.00 49.49 O ATOM 374 CB GLU A 24 35.606 19.993 17.532 1.00 49.82 C ATOM 375 CG GLU A 24 35.369 19.595 18.981 1.00 49.72 C ATOM 376 CD GLU A 24 35.921 18.226 19.269 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.394 17.592 18.357 1.00 49.24 O ATOM 378 OE2 GLU A 24 35.973 17.859 20.420 1.00 49.24 O ATOM 0 H GLU A 24 33.190 20.187 16.819 1.00 49.53 H new ATOM 0 HA GLU A 24 35.068 22.046 17.946 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.212 19.210 16.884 1.00 49.82 H new ATOM 0 HB3 GLU A 24 36.680 20.044 17.353 1.00 49.82 H new ATOM 0 HG2 GLU A 24 35.837 20.325 19.642 1.00 49.72 H new ATOM 0 HG3 GLU A 24 34.300 19.611 19.195 1.00 49.72 H new ATOM 385 N ASN A 25 35.511 21.320 14.780 1.00 49.53 N ATOM 386 CA ASN A 25 36.147 21.736 13.523 1.00 50.07 C ATOM 387 C ASN A 25 35.591 23.087 13.077 1.00 50.51 C ATOM 388 O ASN A 25 36.282 23.867 12.390 1.00 49.49 O ATOM 389 CB ASN A 25 35.960 20.698 12.432 1.00 49.82 C ATOM 390 CG ASN A 25 36.792 19.461 12.624 1.00 50.55 C ATOM 391 OD1 ASN A 25 37.898 19.511 13.172 1.00 49.45 O ATOM 392 ND2 ASN A 25 36.301 18.364 12.105 1.00 49.38 N ATOM 0 H ASN A 25 34.885 20.523 14.667 1.00 49.53 H new ATOM 0 HA ASN A 25 37.218 21.832 13.704 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.908 20.414 12.389 1.00 49.82 H new ATOM 0 HB3 ASN A 25 36.209 21.146 11.470 1.00 49.82 H new ATOM 0 HD21 ASN A 25 36.838 17.497 12.142 1.00 49.38 H new ATOM 0 HD22 ASN A 25 35.382 18.376 11.663 1.00 49.38 H new ATOM 399 N VAL A 26 34.346 23.315 13.467 1.00 49.53 N ATOM 400 CA VAL A 26 33.685 24.576 13.144 1.00 50.07 C ATOM 401 C VAL A 26 34.367 25.678 13.948 1.00 50.51 C ATOM 402 O VAL A 26 34.405 26.842 13.535 1.00 49.49 O ATOM 403 CB VAL A 26 32.182 24.544 13.479 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.572 25.928 13.321 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.460 23.540 12.592 1.00 49.73 C ATOM 0 H VAL A 26 33.778 22.656 14.000 1.00 49.53 H new ATOM 0 HA VAL A 26 33.769 24.756 12.072 1.00 50.07 H new ATOM 0 HB VAL A 26 32.067 24.233 14.517 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.510 25.887 13.562 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.070 26.624 13.995 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.698 26.266 12.292 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.399 23.530 12.842 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.584 23.823 11.547 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.879 22.547 12.751 1.00 49.73 H new ATOM 415 N LYS A 27 34.931 25.297 15.088 1.00 49.53 N ATOM 416 CA LYS A 27 35.615 26.270 15.953 1.00 50.07 C ATOM 417 C LYS A 27 36.917 26.624 15.255 1.00 50.51 C ATOM 418 O LYS A 27 37.338 27.805 15.317 1.00 49.49 O ATOM 419 CB LYS A 27 35.878 25.685 17.342 1.00 49.82 C ATOM 420 CG LYS A 27 34.639 25.565 18.219 1.00 49.82 C ATOM 421 CD LYS A 27 34.857 24.575 19.353 1.00 49.82 C ATOM 422 CE LYS A 27 35.845 25.113 20.377 1.00 50.21 C ATOM 423 NZ LYS A 27 36.030 24.176 21.519 1.00 49.70 N ATOM 0 H LYS A 27 34.933 24.339 15.437 1.00 49.53 H new ATOM 0 HA LYS A 27 34.999 27.156 16.106 1.00 50.07 H new ATOM 0 HB2 LYS A 27 36.325 24.697 17.228 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.611 26.309 17.853 1.00 49.82 H new ATOM 0 HG2 LYS A 27 34.386 26.542 18.630 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.791 25.246 17.613 1.00 49.82 H new ATOM 0 HD2 LYS A 27 33.905 24.362 19.840 1.00 49.82 H new ATOM 0 HD3 LYS A 27 35.226 23.632 18.949 1.00 49.82 H new ATOM 0 HE2 LYS A 27 36.806 25.291 19.895 1.00 50.21 H new ATOM 0 HE3 LYS A 27 35.493 26.075 20.750 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 36.468 24.682 22.315 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 35.106 23.801 21.813 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 36.646 23.390 21.227 1.00 49.70 H new ATOM 437 N ALA A 28 37.573 25.659 14.644 1.00 49.53 N ATOM 438 CA ALA A 28 38.805 25.909 13.885 1.00 50.07 C ATOM 439 C ALA A 28 38.449 26.508 12.536 1.00 50.51 C ATOM 440 O ALA A 28 39.366 26.926 11.750 1.00 49.49 O ATOM 441 CB ALA A 28 39.612 24.609 13.714 1.00 49.73 C ATOM 0 H ALA A 28 37.279 24.682 14.652 1.00 49.53 H new ATOM 0 HA ALA A 28 39.429 26.614 14.434 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.521 24.817 13.149 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.877 24.213 14.695 1.00 49.73 H new ATOM 0 HB3 ALA A 28 39.011 23.875 13.177 1.00 49.73 H new ATOM 447 N LYS A 29 37.173 26.616 12.195 1.00 49.53 N ATOM 448 CA LYS A 29 36.759 27.267 10.935 1.00 50.07 C ATOM 449 C LYS A 29 36.568 28.784 11.124 1.00 50.51 C ATOM 450 O LYS A 29 36.924 29.629 10.266 1.00 49.49 O ATOM 451 CB LYS A 29 35.470 26.637 10.406 1.00 49.82 C ATOM 452 CG LYS A 29 34.996 27.200 9.073 1.00 49.82 C ATOM 453 CD LYS A 29 35.955 26.839 7.948 1.00 49.82 C ATOM 454 CE LYS A 29 35.420 27.292 6.598 1.00 50.21 C ATOM 455 NZ LYS A 29 36.347 26.942 5.487 1.00 49.70 N ATOM 0 H LYS A 29 36.401 26.267 12.762 1.00 49.53 H new ATOM 0 HA LYS A 29 37.555 27.114 10.206 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.622 25.563 10.300 1.00 49.82 H new ATOM 0 HB3 LYS A 29 34.682 26.776 11.146 1.00 49.82 H new ATOM 0 HG2 LYS A 29 34.003 26.813 8.845 1.00 49.82 H new ATOM 0 HG3 LYS A 29 34.907 28.284 9.144 1.00 49.82 H new ATOM 0 HD2 LYS A 29 36.925 27.302 8.131 1.00 49.82 H new ATOM 0 HD3 LYS A 29 36.114 25.761 7.935 1.00 49.82 H new ATOM 0 HE2 LYS A 29 34.449 26.831 6.419 1.00 50.21 H new ATOM 0 HE3 LYS A 29 35.263 28.370 6.613 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 35.946 27.268 4.584 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 37.266 27.403 5.644 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 36.477 25.911 5.456 1.00 49.70 H new ATOM 469 N ILE A 30 36.058 29.157 12.299 1.00 49.53 N ATOM 470 CA ILE A 30 35.840 30.589 12.574 1.00 50.07 C ATOM 471 C ILE A 30 37.168 31.302 12.857 1.00 50.51 C ATOM 472 O ILE A 30 37.345 32.472 12.444 1.00 49.49 O ATOM 473 CB ILE A 30 34.890 30.797 13.767 1.00 49.91 C ATOM 474 CG1 ILE A 30 33.455 30.434 13.377 1.00 49.82 C ATOM 475 CG2 ILE A 30 34.962 32.234 14.260 1.00 49.73 C ATOM 476 CD1 ILE A 30 32.472 30.505 14.524 1.00 49.73 C ATOM 0 H ILE A 30 35.795 28.521 13.052 1.00 49.53 H new ATOM 0 HA ILE A 30 35.383 31.017 11.682 1.00 50.07 H new ATOM 0 HB ILE A 30 35.204 30.139 14.578 1.00 49.91 H new ATOM 0 HG12 ILE A 30 33.123 31.105 12.585 1.00 49.82 H new ATOM 0 HG13 ILE A 30 33.445 29.425 12.965 1.00 49.82 H new ATOM 0 HG21 ILE A 30 34.284 32.364 15.104 1.00 49.73 H new ATOM 0 HG22 ILE A 30 35.981 32.460 14.575 1.00 49.73 H new ATOM 0 HG23 ILE A 30 34.673 32.910 13.455 1.00 49.73 H new ATOM 0 HD11 ILE A 30 31.478 30.234 14.168 1.00 49.73 H new ATOM 0 HD12 ILE A 30 32.778 29.813 15.309 1.00 49.73 H new ATOM 0 HD13 ILE A 30 32.451 31.519 14.923 1.00 49.73 H new ATOM 488 N GLN A 31 38.055 30.695 13.605 1.00 49.53 N ATOM 489 CA GLN A 31 39.356 31.386 13.870 1.00 50.07 C ATOM 490 C GLN A 31 39.947 32.032 12.607 1.00 50.51 C ATOM 491 O GLN A 31 40.363 33.210 12.516 1.00 49.49 O ATOM 492 CB GLN A 31 40.369 30.402 14.463 1.00 49.82 C ATOM 493 CG GLN A 31 41.712 31.024 14.808 1.00 49.82 C ATOM 494 CD GLN A 31 42.759 29.983 15.152 1.00 50.55 C ATOM 495 OE1 GLN A 31 42.784 29.451 16.265 1.00 49.45 O ATOM 496 NE2 GLN A 31 43.636 29.689 14.198 1.00 49.38 N ATOM 0 H GLN A 31 37.942 29.776 14.034 1.00 49.53 H new ATOM 0 HA GLN A 31 39.150 32.184 14.584 1.00 50.07 H new ATOM 0 HB2 GLN A 31 39.944 29.959 15.364 1.00 49.82 H new ATOM 0 HB3 GLN A 31 40.529 29.590 13.753 1.00 49.82 H new ATOM 0 HG2 GLN A 31 42.060 31.621 13.965 1.00 49.82 H new ATOM 0 HG3 GLN A 31 41.589 31.704 15.651 1.00 49.82 H new ATOM 0 HE21 GLN A 31 43.578 30.153 13.292 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.367 28.999 14.372 1.00 49.38 H new ATOM 505 N ASP A 32 40.031 31.211 11.586 1.00 49.53 N ATOM 506 CA ASP A 32 40.560 31.680 10.286 1.00 50.07 C ATOM 507 C ASP A 32 40.018 32.998 9.775 1.00 50.51 C ATOM 508 O ASP A 32 40.688 33.790 9.074 1.00 49.49 O ATOM 509 CB ASP A 32 40.340 30.603 9.220 1.00 49.72 C ATOM 510 CG ASP A 32 41.101 29.308 9.468 1.00 50.62 C ATOM 511 OD1 ASP A 32 41.810 29.236 10.444 1.00 49.24 O ATOM 512 OD2 ASP A 32 40.850 28.353 8.773 1.00 49.24 O ATOM 0 H ASP A 32 39.751 30.230 11.608 1.00 49.53 H new ATOM 0 HA ASP A 32 41.617 31.864 10.477 1.00 50.07 H new ATOM 0 HB2 ASP A 32 39.275 30.379 9.162 1.00 49.72 H new ATOM 0 HB3 ASP A 32 40.635 31.003 8.250 1.00 49.72 H new ATOM 517 N LYS A 33 38.744 33.304 10.085 1.00 49.53 N ATOM 518 CA LYS A 33 38.199 34.555 9.492 1.00 50.07 C ATOM 519 C LYS A 33 38.505 35.745 10.331 1.00 50.51 C ATOM 520 O LYS A 33 38.646 36.860 9.721 1.00 49.49 O ATOM 521 CB LYS A 33 36.688 34.434 9.286 1.00 49.82 C ATOM 522 CG LYS A 33 36.232 33.078 8.763 1.00 49.82 C ATOM 523 CD LYS A 33 36.816 32.789 7.388 1.00 49.82 C ATOM 524 CE LYS A 33 36.207 31.535 6.780 1.00 50.21 C ATOM 525 NZ LYS A 33 36.545 30.315 7.565 1.00 49.70 N ATOM 0 H LYS A 33 38.117 32.766 10.684 1.00 49.53 H new ATOM 0 HA LYS A 33 38.684 34.695 8.526 1.00 50.07 H new ATOM 0 HB2 LYS A 33 36.187 34.632 10.234 1.00 49.82 H new ATOM 0 HB3 LYS A 33 36.366 35.206 8.588 1.00 49.82 H new ATOM 0 HG2 LYS A 33 36.535 32.297 9.460 1.00 49.82 H new ATOM 0 HG3 LYS A 33 35.144 33.054 8.710 1.00 49.82 H new ATOM 0 HD2 LYS A 33 36.637 33.639 6.729 1.00 49.82 H new ATOM 0 HD3 LYS A 33 37.896 32.669 7.468 1.00 49.82 H new ATOM 0 HE2 LYS A 33 35.124 31.645 6.730 1.00 50.21 H new ATOM 0 HE3 LYS A 33 36.563 31.418 5.757 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 37.020 29.626 6.948 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 37.178 30.571 8.349 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 35.673 29.895 7.947 1.00 49.70 H new ATOM 539 N GLU A 34 38.737 35.671 11.612 1.00 49.53 N ATOM 540 CA GLU A 34 39.040 36.792 12.471 1.00 50.07 C ATOM 541 C GLU A 34 40.280 36.703 13.324 1.00 50.51 C ATOM 542 O GLU A 34 40.913 37.730 13.590 1.00 49.49 O ATOM 543 CB GLU A 34 37.839 37.082 13.375 1.00 49.82 C ATOM 544 CG GLU A 34 38.121 38.071 14.496 1.00 49.72 C ATOM 545 CD GLU A 34 38.243 39.475 13.971 1.00 50.62 C ATOM 546 OE1 GLU A 34 37.866 39.701 12.846 1.00 49.24 O ATOM 547 OE2 GLU A 34 38.608 40.342 14.727 1.00 49.24 O ATOM 0 H GLU A 34 38.720 34.784 12.115 1.00 49.53 H new ATOM 0 HA GLU A 34 39.255 37.598 11.770 1.00 50.07 H new ATOM 0 HB2 GLU A 34 37.024 37.468 12.763 1.00 49.82 H new ATOM 0 HB3 GLU A 34 37.494 36.145 13.812 1.00 49.82 H new ATOM 0 HG2 GLU A 34 37.320 38.025 15.234 1.00 49.72 H new ATOM 0 HG3 GLU A 34 39.042 37.791 15.007 1.00 49.72 H new ATOM 554 N GLY A 35 40.589 35.523 13.836 1.00 49.53 N ATOM 555 CA GLY A 35 41.784 35.294 14.604 1.00 49.98 C ATOM 556 C GLY A 35 41.561 35.055 16.044 1.00 50.51 C ATOM 557 O GLY A 35 42.526 35.129 16.852 1.00 49.49 O ATOM 0 H GLY A 35 40.006 34.694 13.724 1.00 49.53 H new ATOM 0 HA2 GLY A 35 42.309 34.435 14.185 1.00 49.98 H new ATOM 0 HA3 GLY A 35 42.442 36.156 14.491 1.00 49.98 H new ATOM 561 N ILE A 36 40.329 34.693 16.440 1.00 49.53 N ATOM 562 CA ILE A 36 40.087 34.442 17.869 1.00 50.07 C ATOM 563 C ILE A 36 40.332 32.977 18.181 1.00 50.51 C ATOM 564 O ILE A 36 39.830 32.084 17.476 1.00 49.49 O ATOM 565 CB ILE A 36 38.651 34.819 18.279 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.384 36.299 17.993 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.419 34.508 19.749 1.00 49.73 C ATOM 568 CD1 ILE A 36 39.420 37.231 18.579 1.00 49.73 C ATOM 0 H ILE A 36 39.523 34.572 15.827 1.00 49.53 H new ATOM 0 HA ILE A 36 40.776 35.067 18.437 1.00 50.07 H new ATOM 0 HB ILE A 36 37.955 34.224 17.688 1.00 49.91 H new ATOM 0 HG12 ILE A 36 38.343 36.449 16.914 1.00 49.82 H new ATOM 0 HG13 ILE A 36 37.404 36.565 18.389 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.400 34.780 20.022 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.569 33.443 19.924 1.00 49.73 H new ATOM 0 HG23 ILE A 36 39.122 35.078 20.357 1.00 49.73 H new ATOM 0 HD11 ILE A 36 39.162 38.261 18.334 1.00 49.73 H new ATOM 0 HD12 ILE A 36 39.446 37.111 19.662 1.00 49.73 H new ATOM 0 HD13 ILE A 36 40.399 36.993 18.164 1.00 49.73 H new ATOM 580 N PRO A 37 41.082 32.703 19.243 1.00 49.71 N ATOM 581 CA PRO A 37 41.377 31.331 19.690 1.00 50.02 C ATOM 582 C PRO A 37 40.097 30.563 19.957 1.00 50.51 C ATOM 583 O PRO A 37 39.188 31.132 20.617 1.00 49.49 O ATOM 584 CB PRO A 37 42.113 31.620 21.033 1.00 49.82 C ATOM 585 CG PRO A 37 42.802 32.928 20.778 1.00 49.82 C ATOM 586 CD PRO A 37 41.705 33.746 20.111 1.00 50.00 C ATOM 0 HA PRO A 37 41.937 30.733 18.971 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.415 31.690 21.867 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.825 30.832 21.279 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.151 33.391 21.701 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.672 32.811 20.132 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.001 34.161 20.832 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.102 34.582 19.535 1.00 50.00 H new ATOM 594 N PRO A 38 40.004 29.324 19.541 1.00 49.71 N ATOM 595 CA PRO A 38 38.775 28.546 19.766 1.00 50.02 C ATOM 596 C PRO A 38 38.388 28.446 21.218 1.00 50.51 C ATOM 597 O PRO A 38 37.181 28.385 21.585 1.00 49.49 O ATOM 598 CB PRO A 38 39.063 27.212 19.086 1.00 49.82 C ATOM 599 CG PRO A 38 40.044 27.596 17.981 1.00 49.82 C ATOM 600 CD PRO A 38 40.988 28.554 18.740 1.00 50.00 C ATOM 0 HA PRO A 38 37.890 29.022 19.344 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.497 26.491 19.779 1.00 49.82 H new ATOM 0 HB3 PRO A 38 38.157 26.760 18.682 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.571 26.731 17.579 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.549 28.085 17.142 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.705 28.021 19.365 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.563 29.190 18.067 1.00 50.00 H new ATOM 608 N ASP A 39 39.345 28.426 22.112 1.00 49.53 N ATOM 609 CA ASP A 39 39.043 28.271 23.561 1.00 50.07 C ATOM 610 C ASP A 39 38.287 29.440 24.180 1.00 50.51 C ATOM 611 O ASP A 39 37.619 29.332 25.245 1.00 49.49 O ATOM 612 CB ASP A 39 40.339 28.034 24.342 1.00 49.72 C ATOM 613 CG ASP A 39 41.428 29.065 24.083 1.00 50.62 C ATOM 614 OD1 ASP A 39 41.800 29.235 22.946 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.767 29.783 24.994 1.00 49.24 O ATOM 0 H ASP A 39 40.337 28.512 21.891 1.00 49.53 H new ATOM 0 HA ASP A 39 38.379 27.410 23.630 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.110 28.026 25.408 1.00 49.72 H new ATOM 0 HB3 ASP A 39 40.724 27.046 24.091 1.00 49.72 H new ATOM 620 N GLN A 40 38.277 30.570 23.492 1.00 49.53 N ATOM 621 CA GLN A 40 37.537 31.743 24.017 1.00 50.07 C ATOM 622 C GLN A 40 36.102 31.683 23.461 1.00 50.51 C ATOM 623 O GLN A 40 35.184 32.122 24.142 1.00 49.49 O ATOM 624 CB GLN A 40 38.216 33.050 23.600 1.00 49.82 C ATOM 625 CG GLN A 40 39.468 33.382 24.394 1.00 49.82 C ATOM 626 CD GLN A 40 40.268 34.510 23.768 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.933 34.323 22.745 1.00 49.45 O ATOM 628 NE2 GLN A 40 40.212 35.685 24.383 1.00 49.38 N ATOM 0 H GLN A 40 38.749 30.715 22.600 1.00 49.53 H new ATOM 0 HA GLN A 40 37.525 31.717 25.107 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.475 32.991 22.543 1.00 49.82 H new ATOM 0 HB3 GLN A 40 37.503 33.867 23.708 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.188 33.659 25.410 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.095 32.493 24.468 1.00 49.82 H new ATOM 0 HE21 GLN A 40 39.649 35.793 25.226 1.00 49.38 H new ATOM 0 HE22 GLN A 40 40.732 36.480 24.012 1.00 49.38 H new ATOM 637 N GLN A 41 35.920 31.122 22.286 1.00 49.53 N ATOM 638 CA GLN A 41 34.639 31.046 21.627 1.00 50.07 C ATOM 639 C GLN A 41 33.509 30.278 22.281 1.00 50.51 C ATOM 640 O GLN A 41 33.503 29.068 22.447 1.00 49.49 O ATOM 641 CB GLN A 41 34.833 30.491 20.214 1.00 49.82 C ATOM 642 CG GLN A 41 35.719 31.347 19.325 1.00 49.82 C ATOM 643 CD GLN A 41 35.716 30.880 17.883 1.00 50.55 C ATOM 644 OE1 GLN A 41 34.971 29.968 17.512 1.00 49.45 O ATOM 645 NE2 GLN A 41 36.553 31.500 17.059 1.00 49.38 N ATOM 0 H GLN A 41 36.678 30.697 21.751 1.00 49.53 H new ATOM 0 HA GLN A 41 34.299 32.081 21.671 1.00 50.07 H new ATOM 0 HB2 GLN A 41 35.264 29.492 20.284 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.857 30.384 19.740 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.381 32.382 19.369 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.739 31.328 19.708 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.151 32.249 17.408 1.00 49.38 H new ATOM 0 HE22 GLN A 41 36.598 31.227 16.077 1.00 49.38 H new ATOM 654 N ARG A 42 32.425 31.005 22.544 1.00 49.53 N ATOM 655 CA ARG A 42 31.159 30.368 23.026 1.00 50.07 C ATOM 656 C ARG A 42 30.129 30.390 21.919 1.00 50.51 C ATOM 657 O ARG A 42 29.904 31.535 21.357 1.00 49.49 O ATOM 658 CB ARG A 42 30.633 31.012 24.301 1.00 49.82 C ATOM 659 CG ARG A 42 29.333 30.423 24.825 1.00 49.82 C ATOM 660 CD ARG A 42 28.828 31.063 26.067 1.00 50.20 C ATOM 661 NE ARG A 42 29.636 30.806 27.249 1.00 49.30 N ATOM 662 CZ ARG A 42 29.512 29.722 28.039 1.00 50.64 C ATOM 663 NH1 ARG A 42 28.593 28.813 27.803 1.00 49.20 N ATOM 664 NH2 ARG A 42 30.325 29.609 29.075 1.00 49.20 N ATOM 0 H ARG A 42 32.377 32.019 22.440 1.00 49.53 H new ATOM 0 HA ARG A 42 31.376 29.332 23.286 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.394 30.923 25.076 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.486 32.077 24.119 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.571 30.509 24.050 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.479 29.359 25.012 1.00 49.82 H new ATOM 0 HD2 ARG A 42 28.771 32.140 25.908 1.00 50.20 H new ATOM 0 HD3 ARG A 42 27.812 30.714 26.254 1.00 50.20 H new ATOM 0 HE ARG A 42 30.346 31.495 27.497 1.00 49.30 H new ATOM 0 HH11 ARG A 42 27.959 28.922 27.011 1.00 49.20 H new ATOM 0 HH12 ARG A 42 28.513 27.998 28.412 1.00 49.20 H new ATOM 0 HH21 ARG A 42 31.022 30.331 29.258 1.00 49.20 H new ATOM 0 HH22 ARG A 42 30.256 28.800 29.692 1.00 49.20 H new ATOM 678 N LEU A 43 29.571 29.248 21.520 1.00 49.53 N ATOM 679 CA LEU A 43 28.598 29.224 20.399 1.00 50.07 C ATOM 680 C LEU A 43 27.137 29.057 20.803 1.00 50.51 C ATOM 681 O LEU A 43 26.804 28.048 21.440 1.00 49.49 O ATOM 682 CB LEU A 43 28.985 28.117 19.408 1.00 49.82 C ATOM 683 CG LEU A 43 30.441 28.153 18.928 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.659 27.101 17.848 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.770 29.542 18.403 1.00 49.73 C ATOM 0 H LEU A 43 29.763 28.338 21.938 1.00 49.53 H new ATOM 0 HA LEU A 43 28.659 30.213 19.944 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.797 27.150 19.875 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.331 28.184 18.539 1.00 49.82 H new ATOM 0 HG LEU A 43 31.105 27.929 19.763 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.696 27.133 17.513 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.439 26.113 18.253 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.998 27.303 17.005 1.00 49.73 H new ATOM 0 HD21 LEU A 43 31.805 29.566 18.062 1.00 49.73 H new ATOM 0 HD22 LEU A 43 30.108 29.783 17.571 1.00 49.73 H new ATOM 0 HD23 LEU A 43 30.633 30.274 19.199 1.00 49.73 H new ATOM 697 N ILE A 44 26.336 30.076 20.512 1.00 49.53 N ATOM 698 CA ILE A 44 24.923 30.103 20.873 1.00 50.07 C ATOM 699 C ILE A 44 23.993 29.852 19.692 1.00 50.51 C ATOM 700 O ILE A 44 24.093 30.462 18.647 1.00 49.49 O ATOM 701 CB ILE A 44 24.542 31.446 21.526 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.395 31.694 22.773 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.062 31.466 21.876 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.182 30.676 23.870 1.00 49.73 C ATOM 0 H ILE A 44 26.650 30.911 20.017 1.00 49.53 H new ATOM 0 HA ILE A 44 24.791 29.287 21.583 1.00 50.07 H new ATOM 0 HB ILE A 44 24.736 32.247 20.812 1.00 49.91 H new ATOM 0 HG12 ILE A 44 26.447 31.693 22.488 1.00 49.82 H new ATOM 0 HG13 ILE A 44 25.172 32.687 23.163 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.810 32.421 22.336 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.472 31.333 20.969 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.842 30.658 22.574 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.820 30.918 24.720 1.00 49.73 H new ATOM 0 HD12 ILE A 44 24.138 30.692 24.184 1.00 49.73 H new ATOM 0 HD13 ILE A 44 25.434 29.683 23.498 1.00 49.73 H new ATOM 716 N PHE A 45 23.034 28.917 19.917 1.00 49.53 N ATOM 717 CA PHE A 45 22.022 28.590 18.899 1.00 50.07 C ATOM 718 C PHE A 45 20.654 28.275 19.532 1.00 50.51 C ATOM 719 O PHE A 45 20.496 27.355 20.335 1.00 49.49 O ATOM 720 CB PHE A 45 22.489 27.410 18.046 1.00 49.82 C ATOM 721 CG PHE A 45 21.563 27.080 16.910 1.00 50.00 C ATOM 722 CD1 PHE A 45 21.345 27.990 15.886 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.907 25.859 16.863 1.00 49.88 C ATOM 724 CE1 PHE A 45 20.493 27.687 14.841 1.00 49.88 C ATOM 725 CE2 PHE A 45 20.056 25.553 15.819 1.00 49.88 C ATOM 726 CZ PHE A 45 19.848 26.469 14.807 1.00 49.88 C ATOM 0 H PHE A 45 22.947 28.387 20.784 1.00 49.53 H new ATOM 0 HA PHE A 45 21.900 29.468 18.265 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.477 27.633 17.644 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.595 26.532 18.683 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.847 28.946 15.906 1.00 49.88 H new ATOM 0 HD2 PHE A 45 21.063 25.139 17.652 1.00 49.88 H new ATOM 0 HE1 PHE A 45 20.332 28.405 14.050 1.00 49.88 H new ATOM 0 HE2 PHE A 45 19.553 24.597 15.794 1.00 49.88 H new ATOM 0 HZ PHE A 45 19.182 26.232 13.991 1.00 49.88 H new ATOM 736 N ALA A 46 19.733 29.136 19.176 1.00 49.53 N ATOM 737 CA ALA A 46 18.321 29.032 19.596 1.00 50.07 C ATOM 738 C ALA A 46 18.145 28.868 21.098 1.00 50.51 C ATOM 739 O ALA A 46 17.376 28.024 21.579 1.00 49.49 O ATOM 740 CB ALA A 46 17.655 27.903 18.876 1.00 49.73 C ATOM 0 H ALA A 46 19.924 29.943 18.582 1.00 49.53 H new ATOM 0 HA ALA A 46 17.849 29.978 19.331 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.614 27.834 19.192 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.697 28.081 17.802 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.168 26.970 19.109 1.00 49.73 H new ATOM 746 N GLY A 47 18.881 29.668 21.813 1.00 49.53 N ATOM 747 CA GLY A 47 18.962 29.766 23.241 1.00 49.98 C ATOM 748 C GLY A 47 19.611 28.593 23.929 1.00 50.51 C ATOM 749 O GLY A 47 19.534 28.486 25.173 1.00 49.49 O ATOM 0 H GLY A 47 19.504 30.338 21.362 1.00 49.53 H new ATOM 0 HA2 GLY A 47 19.517 30.669 23.496 1.00 49.98 H new ATOM 0 HA3 GLY A 47 17.954 29.888 23.639 1.00 49.98 H new ATOM 753 N LYS A 48 20.283 27.746 23.197 1.00 49.53 N ATOM 754 CA LYS A 48 20.996 26.597 23.771 1.00 50.07 C ATOM 755 C LYS A 48 22.527 26.670 23.633 1.00 50.51 C ATOM 756 O LYS A 48 22.999 26.893 22.528 1.00 49.49 O ATOM 757 CB LYS A 48 20.487 25.299 23.142 1.00 49.82 C ATOM 758 CG LYS A 48 21.209 24.045 23.616 1.00 49.82 C ATOM 759 CD LYS A 48 20.447 22.787 23.228 1.00 49.82 C ATOM 760 CE LYS A 48 21.186 21.533 23.670 1.00 50.21 C ATOM 761 NZ LYS A 48 21.237 21.410 25.153 1.00 49.70 N ATOM 0 H LYS A 48 20.362 27.818 22.183 1.00 49.53 H new ATOM 0 HA LYS A 48 20.784 26.620 24.840 1.00 50.07 H new ATOM 0 HB2 LYS A 48 19.424 25.196 23.361 1.00 49.82 H new ATOM 0 HB3 LYS A 48 20.584 25.372 22.059 1.00 49.82 H new ATOM 0 HG2 LYS A 48 22.209 24.014 23.184 1.00 49.82 H new ATOM 0 HG3 LYS A 48 21.330 24.080 24.699 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.456 22.806 23.681 1.00 49.82 H new ATOM 0 HD3 LYS A 48 20.304 22.765 22.148 1.00 49.82 H new ATOM 0 HE2 LYS A 48 20.695 20.655 23.250 1.00 50.21 H new ATOM 0 HE3 LYS A 48 22.201 21.551 23.272 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 21.611 20.475 25.411 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 21.856 22.150 25.542 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 20.279 21.520 25.544 1.00 49.70 H new ATOM 775 N GLN A 49 23.245 26.474 24.707 1.00 49.53 N ATOM 776 CA GLN A 49 24.730 26.413 24.614 1.00 50.07 C ATOM 777 C GLN A 49 25.350 25.186 23.951 1.00 50.51 C ATOM 778 O GLN A 49 25.288 24.081 24.551 1.00 49.49 O ATOM 779 CB GLN A 49 25.335 26.564 26.012 1.00 49.82 C ATOM 780 CG GLN A 49 25.257 27.973 26.575 1.00 49.82 C ATOM 781 CD GLN A 49 23.827 28.423 26.810 1.00 50.55 C ATOM 782 OE1 GLN A 49 22.907 28.013 26.097 1.00 49.45 O ATOM 783 NE2 GLN A 49 23.633 29.274 27.811 1.00 49.38 N ATOM 0 H GLN A 49 22.865 26.353 25.646 1.00 49.53 H new ATOM 0 HA GLN A 49 24.973 27.237 23.943 1.00 50.07 H new ATOM 0 HB2 GLN A 49 24.823 25.884 26.693 1.00 49.82 H new ATOM 0 HB3 GLN A 49 26.380 26.255 25.979 1.00 49.82 H new ATOM 0 HG2 GLN A 49 25.808 28.017 27.514 1.00 49.82 H new ATOM 0 HG3 GLN A 49 25.744 28.664 25.887 1.00 49.82 H new ATOM 0 HE21 GLN A 49 24.423 29.587 28.375 1.00 49.38 H new ATOM 0 HE22 GLN A 49 22.694 29.615 28.016 1.00 49.38 H new ATOM 792 N LEU A 50 25.823 25.318 22.734 1.00 49.53 N ATOM 793 CA LEU A 50 26.362 24.182 21.969 1.00 50.07 C ATOM 794 C LEU A 50 27.482 23.345 22.565 1.00 50.51 C ATOM 795 O LEU A 50 28.286 23.906 23.284 1.00 49.49 O ATOM 796 CB LEU A 50 26.804 24.681 20.588 1.00 49.82 C ATOM 797 CG LEU A 50 25.687 25.275 19.720 1.00 49.91 C ATOM 798 CD1 LEU A 50 26.226 25.616 18.337 1.00 49.73 C ATOM 799 CD2 LEU A 50 24.539 24.281 19.620 1.00 49.73 C ATOM 0 H LEU A 50 25.852 26.207 22.234 1.00 49.53 H new ATOM 0 HA LEU A 50 25.523 23.486 21.955 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.578 25.436 20.723 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.259 23.851 20.048 1.00 49.82 H new ATOM 0 HG LEU A 50 25.319 26.193 20.179 1.00 49.91 H new ATOM 0 HD11 LEU A 50 25.426 26.037 17.728 1.00 49.73 H new ATOM 0 HD12 LEU A 50 27.032 26.344 18.430 1.00 49.73 H new ATOM 0 HD13 LEU A 50 26.606 24.712 17.862 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.745 24.703 19.003 1.00 49.73 H new ATOM 0 HD22 LEU A 50 24.897 23.356 19.168 1.00 49.73 H new ATOM 0 HD23 LEU A 50 24.151 24.071 20.617 1.00 49.73 H new ATOM 811 N GLU A 51 27.460 22.034 22.325 1.00 49.53 N ATOM 812 CA GLU A 51 28.485 21.145 22.912 1.00 50.07 C ATOM 813 C GLU A 51 29.458 20.822 21.811 1.00 50.51 C ATOM 814 O GLU A 51 29.039 20.673 20.666 1.00 49.49 O ATOM 815 CB GLU A 51 27.854 19.869 23.474 1.00 49.82 C ATOM 816 CG GLU A 51 26.917 20.097 24.651 1.00 49.72 C ATOM 817 CD GLU A 51 26.165 18.844 25.002 1.00 50.62 C ATOM 818 OE1 GLU A 51 25.508 18.307 24.142 1.00 49.24 O ATOM 819 OE2 GLU A 51 26.336 18.358 26.096 1.00 49.24 O ATOM 0 H GLU A 51 26.765 21.564 21.744 1.00 49.53 H new ATOM 0 HA GLU A 51 28.988 21.635 23.746 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.302 19.370 22.677 1.00 49.82 H new ATOM 0 HB3 GLU A 51 28.649 19.191 23.784 1.00 49.82 H new ATOM 0 HG2 GLU A 51 27.490 20.433 25.515 1.00 49.72 H new ATOM 0 HG3 GLU A 51 26.211 20.891 24.408 1.00 49.72 H new ATOM 826 N ASP A 52 30.739 20.748 22.078 1.00 49.53 N ATOM 827 CA ASP A 52 31.809 20.531 21.110 1.00 50.07 C ATOM 828 C ASP A 52 31.794 19.243 20.305 1.00 50.51 C ATOM 829 O ASP A 52 32.039 19.303 19.067 1.00 49.49 O ATOM 830 CB ASP A 52 33.162 20.655 21.814 1.00 49.72 C ATOM 831 CG ASP A 52 33.382 21.982 22.526 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.130 23.003 21.931 1.00 49.24 O ATOM 833 OD2 ASP A 52 33.649 21.964 23.705 1.00 49.24 O ATOM 0 H ASP A 52 31.093 20.842 23.030 1.00 49.53 H new ATOM 0 HA ASP A 52 31.632 21.307 20.365 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.255 19.847 22.540 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.954 20.516 21.079 1.00 49.72 H new ATOM 838 N GLY A 53 31.624 18.115 20.957 1.00 49.53 N ATOM 839 CA GLY A 53 31.643 16.780 20.330 1.00 49.98 C ATOM 840 C GLY A 53 30.413 16.492 19.535 1.00 50.51 C ATOM 841 O GLY A 53 30.192 15.343 19.092 1.00 49.49 O ATOM 0 H GLY A 53 31.464 18.082 21.964 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.515 16.702 19.681 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.754 16.022 21.105 1.00 49.98 H new ATOM 845 N ARG A 54 29.558 17.477 19.286 1.00 49.53 N ATOM 846 CA ARG A 54 28.360 17.287 18.443 1.00 50.07 C ATOM 847 C ARG A 54 28.551 17.790 17.020 1.00 50.51 C ATOM 848 O ARG A 54 29.363 18.707 16.774 1.00 49.49 O ATOM 849 CB ARG A 54 27.118 17.896 19.077 1.00 49.82 C ATOM 850 CG ARG A 54 26.290 16.934 19.916 1.00 49.82 C ATOM 851 CD ARG A 54 26.835 16.681 21.274 1.00 50.20 C ATOM 852 NE ARG A 54 25.968 15.892 22.134 1.00 49.30 N ATOM 853 CZ ARG A 54 26.306 15.445 23.358 1.00 50.64 C ATOM 854 NH1 ARG A 54 27.501 15.672 23.857 1.00 49.20 N ATOM 855 NH2 ARG A 54 25.411 14.749 24.038 1.00 49.20 N ATOM 0 H ARG A 54 29.664 18.423 19.653 1.00 49.53 H new ATOM 0 HA ARG A 54 28.209 16.209 18.378 1.00 50.07 H new ATOM 0 HB2 ARG A 54 27.422 18.734 19.705 1.00 49.82 H new ATOM 0 HB3 ARG A 54 26.486 18.302 18.287 1.00 49.82 H new ATOM 0 HG2 ARG A 54 25.279 17.331 20.011 1.00 49.82 H new ATOM 0 HG3 ARG A 54 26.211 15.985 19.387 1.00 49.82 H new ATOM 0 HD2 ARG A 54 27.793 16.170 21.178 1.00 50.20 H new ATOM 0 HD3 ARG A 54 27.031 17.638 21.757 1.00 50.20 H new ATOM 0 HE ARG A 54 25.038 15.661 21.785 1.00 49.30 H new ATOM 0 HH11 ARG A 54 28.189 16.194 23.315 1.00 49.20 H new ATOM 0 HH12 ARG A 54 27.740 15.326 24.786 1.00 49.20 H new ATOM 0 HH21 ARG A 54 24.494 14.564 23.633 1.00 49.20 H new ATOM 0 HH22 ARG A 54 25.638 14.397 24.968 1.00 49.20 H new ATOM 869 N THR A 55 27.762 17.280 16.107 1.00 49.53 N ATOM 870 CA THR A 55 27.763 17.694 14.686 1.00 50.07 C ATOM 871 C THR A 55 26.696 18.808 14.555 1.00 50.51 C ATOM 872 O THR A 55 25.909 19.022 15.470 1.00 49.49 O ATOM 873 CB THR A 55 27.424 16.528 13.739 1.00 50.14 C ATOM 874 OG1 THR A 55 26.097 16.057 14.011 1.00 49.34 O ATOM 875 CG2 THR A 55 28.410 15.385 13.926 1.00 49.73 C ATOM 0 H THR A 55 27.080 16.550 16.313 1.00 49.53 H new ATOM 0 HA THR A 55 28.757 18.040 14.402 1.00 50.07 H new ATOM 0 HB THR A 55 27.487 16.886 12.711 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.882 15.316 13.406 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.155 14.570 13.249 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.419 15.735 13.708 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.364 15.029 14.955 1.00 49.73 H new ATOM 883 N LEU A 56 26.705 19.469 13.416 1.00 49.53 N ATOM 884 CA LEU A 56 25.717 20.519 13.106 1.00 50.07 C ATOM 885 C LEU A 56 24.298 20.008 12.879 1.00 50.51 C ATOM 886 O LEU A 56 23.401 20.518 13.493 1.00 49.49 O ATOM 887 CB LEU A 56 26.181 21.319 11.882 1.00 49.82 C ATOM 888 CG LEU A 56 27.534 22.025 12.038 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.958 22.640 10.712 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.430 23.091 13.118 1.00 49.73 C ATOM 0 H LEU A 56 27.386 19.306 12.674 1.00 49.53 H new ATOM 0 HA LEU A 56 25.666 21.151 13.992 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.237 20.645 11.027 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.424 22.067 11.648 1.00 49.82 H new ATOM 0 HG LEU A 56 28.291 21.299 12.334 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.920 23.139 10.833 1.00 49.73 H new ATOM 0 HD12 LEU A 56 28.048 21.856 9.960 1.00 49.73 H new ATOM 0 HD13 LEU A 56 27.210 23.366 10.392 1.00 49.73 H new ATOM 0 HD21 LEU A 56 28.392 23.592 13.228 1.00 49.73 H new ATOM 0 HD22 LEU A 56 26.671 23.821 12.837 1.00 49.73 H new ATOM 0 HD23 LEU A 56 27.153 22.625 14.064 1.00 49.73 H new ATOM 902 N SER A 57 24.145 18.958 12.046 1.00 49.53 N ATOM 903 CA SER A 57 22.763 18.468 11.814 1.00 50.07 C ATOM 904 C SER A 57 22.086 18.063 13.106 1.00 50.51 C ATOM 905 O SER A 57 20.840 18.241 13.257 1.00 49.49 O ATOM 906 CB SER A 57 22.781 17.304 10.843 1.00 50.05 C ATOM 907 OG SER A 57 23.620 16.268 11.277 1.00 49.34 O ATOM 0 H SER A 57 24.891 18.464 11.556 1.00 49.53 H new ATOM 0 HA SER A 57 22.187 19.288 11.385 1.00 50.07 H new ATOM 0 HB2 SER A 57 21.768 16.921 10.718 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.113 17.653 9.865 1.00 50.05 H new ATOM 0 HG SER A 57 23.602 15.537 10.624 1.00 49.34 H new ATOM 913 N ASP A 58 22.854 17.556 14.053 1.00 49.53 N ATOM 914 CA ASP A 58 22.292 17.129 15.362 1.00 50.07 C ATOM 915 C ASP A 58 21.247 18.082 15.951 1.00 50.51 C ATOM 916 O ASP A 58 20.321 17.689 16.667 1.00 49.49 O ATOM 917 CB ASP A 58 23.422 16.926 16.374 1.00 49.72 C ATOM 918 CG ASP A 58 22.953 16.567 17.778 1.00 50.62 C ATOM 919 OD1 ASP A 58 22.125 15.696 17.902 1.00 49.24 O ATOM 920 OD2 ASP A 58 23.534 17.053 18.719 1.00 49.24 O ATOM 0 H ASP A 58 23.861 17.423 13.961 1.00 49.53 H new ATOM 0 HA ASP A 58 21.769 16.194 15.163 1.00 50.07 H new ATOM 0 HB2 ASP A 58 24.081 16.137 16.011 1.00 49.72 H new ATOM 0 HB3 ASP A 58 24.016 17.839 16.425 1.00 49.72 H new ATOM 925 N TYR A 59 21.523 19.348 15.829 1.00 49.53 N ATOM 926 CA TYR A 59 20.659 20.426 16.305 1.00 50.07 C ATOM 927 C TYR A 59 19.718 20.967 15.252 1.00 50.51 C ATOM 928 O TYR A 59 18.952 21.897 15.579 1.00 49.49 O ATOM 929 CB TYR A 59 21.507 21.569 16.868 1.00 49.82 C ATOM 930 CG TYR A 59 22.296 21.195 18.103 1.00 50.00 C ATOM 931 CD1 TYR A 59 21.650 20.819 19.273 1.00 49.88 C ATOM 932 CD2 TYR A 59 23.683 21.221 18.099 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.364 20.477 20.404 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.407 20.880 19.225 1.00 49.88 C ATOM 935 CZ TYR A 59 23.744 20.509 20.376 1.00 50.11 C ATOM 936 OH TYR A 59 24.460 20.170 21.501 1.00 49.46 O ATOM 0 H TYR A 59 22.377 19.684 15.385 1.00 49.53 H new ATOM 0 HA TYR A 59 20.035 19.989 17.085 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.198 21.910 16.097 1.00 49.82 H new ATOM 0 HB3 TYR A 59 20.855 22.409 17.106 1.00 49.82 H new ATOM 0 HD1 TYR A 59 20.571 20.794 19.299 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.206 21.513 17.200 1.00 49.88 H new ATOM 0 HE1 TYR A 59 21.846 20.186 21.306 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.487 20.904 19.204 1.00 49.88 H new ATOM 0 HH TYR A 59 25.396 20.011 21.258 1.00 49.46 H new ATOM 946 N ASN A 60 19.690 20.470 14.034 1.00 49.53 N ATOM 947 CA ASN A 60 18.753 21.029 13.037 1.00 50.07 C ATOM 948 C ASN A 60 19.145 22.452 12.660 1.00 50.51 C ATOM 949 O ASN A 60 18.309 23.378 12.678 1.00 49.49 O ATOM 950 CB ASN A 60 17.321 20.991 13.540 1.00 49.82 C ATOM 951 CG ASN A 60 16.755 19.603 13.652 1.00 50.55 C ATOM 952 OD1 ASN A 60 17.326 18.634 13.139 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.593 19.515 14.247 1.00 49.38 N ATOM 0 H ASN A 60 20.277 19.705 13.701 1.00 49.53 H new ATOM 0 HA ASN A 60 18.814 20.405 12.145 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.276 21.472 14.517 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.694 21.576 12.868 1.00 49.82 H new ATOM 0 HD21 ASN A 60 15.116 18.615 14.303 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.165 20.346 14.655 1.00 49.38 H new ATOM 960 N ILE A 61 20.380 22.639 12.244 1.00 49.53 N ATOM 961 CA ILE A 61 20.842 23.976 11.762 1.00 50.07 C ATOM 962 C ILE A 61 20.523 24.208 10.287 1.00 50.51 C ATOM 963 O ILE A 61 21.322 23.661 9.471 1.00 49.49 O ATOM 964 CB ILE A 61 22.356 24.157 11.978 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.690 24.115 13.472 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.830 25.462 11.359 1.00 49.73 C ATOM 967 CD1 ILE A 61 24.152 23.865 13.763 1.00 49.73 C ATOM 0 H ILE A 61 21.093 21.910 12.220 1.00 49.53 H new ATOM 0 HA ILE A 61 20.296 24.711 12.353 1.00 50.07 H new ATOM 0 HB ILE A 61 22.877 23.336 11.486 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.395 25.060 13.928 1.00 49.82 H new ATOM 0 HG13 ILE A 61 22.096 23.334 13.946 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.902 25.573 11.521 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.624 25.453 10.289 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.304 26.297 11.823 1.00 49.73 H new ATOM 0 HD11 ILE A 61 24.311 23.849 14.841 1.00 49.73 H new ATOM 0 HD12 ILE A 61 24.449 22.906 13.338 1.00 49.73 H new ATOM 0 HD13 ILE A 61 24.752 24.660 13.320 1.00 49.73 H new ATOM 979 N GLN A 62 19.537 25.000 9.978 1.00 49.53 N ATOM 980 CA GLN A 62 19.086 25.250 8.577 1.00 50.07 C ATOM 981 C GLN A 62 19.721 26.437 7.850 1.00 50.51 C ATOM 982 O GLN A 62 20.644 27.072 8.392 1.00 49.49 O ATOM 983 CB GLN A 62 17.565 25.417 8.549 1.00 49.82 C ATOM 984 CG GLN A 62 17.042 26.515 9.458 1.00 49.82 C ATOM 985 CD GLN A 62 15.552 26.393 9.718 1.00 50.55 C ATOM 986 OE1 GLN A 62 14.887 25.502 9.184 1.00 49.45 O ATOM 987 NE2 GLN A 62 15.020 27.291 10.539 1.00 49.38 N ATOM 0 H GLN A 62 18.997 25.511 10.676 1.00 49.53 H new ATOM 0 HA GLN A 62 19.425 24.370 8.031 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.253 25.628 7.526 1.00 49.82 H new ATOM 0 HB3 GLN A 62 17.102 24.473 8.835 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.577 26.482 10.407 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.251 27.485 9.008 1.00 49.82 H new ATOM 0 HE21 GLN A 62 15.609 28.011 10.958 1.00 49.38 H new ATOM 0 HE22 GLN A 62 14.023 27.261 10.750 1.00 49.38 H new ATOM 996 N LYS A 63 19.269 26.731 6.633 1.00 49.53 N ATOM 997 CA LYS A 63 19.834 27.788 5.823 1.00 50.07 C ATOM 998 C LYS A 63 19.873 29.141 6.528 1.00 50.51 C ATOM 999 O LYS A 63 19.124 29.441 7.444 1.00 49.49 O ATOM 1000 CB LYS A 63 19.061 27.916 4.510 1.00 49.82 C ATOM 1001 CG LYS A 63 19.705 28.843 3.488 1.00 49.82 C ATOM 1002 CD LYS A 63 18.736 29.193 2.369 1.00 49.82 C ATOM 1003 CE LYS A 63 19.352 30.180 1.389 1.00 50.21 C ATOM 1004 NZ LYS A 63 20.480 29.577 0.628 1.00 49.70 N ATOM 0 H LYS A 63 18.497 26.236 6.186 1.00 49.53 H new ATOM 0 HA LYS A 63 20.868 27.503 5.629 1.00 50.07 H new ATOM 0 HB2 LYS A 63 18.954 26.926 4.067 1.00 49.82 H new ATOM 0 HB3 LYS A 63 18.056 28.278 4.728 1.00 49.82 H new ATOM 0 HG2 LYS A 63 20.038 29.756 3.982 1.00 49.82 H new ATOM 0 HG3 LYS A 63 20.591 28.366 3.069 1.00 49.82 H new ATOM 0 HD2 LYS A 63 18.446 28.285 1.840 1.00 49.82 H new ATOM 0 HD3 LYS A 63 17.827 29.619 2.793 1.00 49.82 H new ATOM 0 HE2 LYS A 63 18.588 30.525 0.693 1.00 50.21 H new ATOM 0 HE3 LYS A 63 19.707 31.056 1.931 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 20.795 30.239 -0.109 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 21.269 29.379 1.276 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 20.165 28.690 0.185 1.00 49.70 H new ATOM 1018 N GLU A 64 20.853 29.932 6.066 1.00 49.53 N ATOM 1019 CA GLU A 64 21.132 31.267 6.529 1.00 50.07 C ATOM 1020 C GLU A 64 20.691 31.443 7.951 1.00 50.51 C ATOM 1021 O GLU A 64 20.029 32.443 8.329 1.00 49.49 O ATOM 1022 CB GLU A 64 20.447 32.300 5.632 1.00 49.82 C ATOM 1023 CG GLU A 64 20.900 32.271 4.180 1.00 49.72 C ATOM 1024 CD GLU A 64 20.209 33.333 3.371 1.00 50.62 C ATOM 1025 OE1 GLU A 64 19.396 34.038 3.920 1.00 49.24 O ATOM 1026 OE2 GLU A 64 20.574 33.517 2.233 1.00 49.24 O ATOM 0 H GLU A 64 21.490 29.630 5.329 1.00 49.53 H new ATOM 0 HA GLU A 64 22.210 31.422 6.482 1.00 50.07 H new ATOM 0 HB2 GLU A 64 19.370 32.136 5.667 1.00 49.82 H new ATOM 0 HB3 GLU A 64 20.632 33.295 6.038 1.00 49.82 H new ATOM 0 HG2 GLU A 64 21.979 32.418 4.130 1.00 49.72 H new ATOM 0 HG3 GLU A 64 20.691 31.291 3.751 1.00 49.72 H new ATOM 1033 N SER A 65 21.244 30.604 8.813 1.00 49.53 N ATOM 1034 CA SER A 65 21.037 30.677 10.264 1.00 50.07 C ATOM 1035 C SER A 65 21.854 31.845 10.863 1.00 50.51 C ATOM 1036 O SER A 65 22.594 32.512 10.149 1.00 49.49 O ATOM 1037 CB SER A 65 21.425 29.364 10.917 1.00 50.05 C ATOM 1038 OG SER A 65 20.663 28.291 10.436 1.00 49.34 O ATOM 0 H SER A 65 21.858 29.841 8.528 1.00 49.53 H new ATOM 0 HA SER A 65 19.980 30.860 10.459 1.00 50.07 H new ATOM 0 HB2 SER A 65 22.482 29.168 10.736 1.00 50.05 H new ATOM 0 HB3 SER A 65 21.296 29.444 11.996 1.00 50.05 H new ATOM 0 HG SER A 65 20.965 28.053 9.535 1.00 49.34 H new ATOM 1044 N THR A 66 21.601 32.168 12.104 1.00 49.53 N ATOM 1045 CA THR A 66 22.358 33.197 12.825 1.00 50.07 C ATOM 1046 C THR A 66 23.009 32.469 14.001 1.00 50.51 C ATOM 1047 O THR A 66 22.269 31.851 14.799 1.00 49.49 O ATOM 1048 CB THR A 66 21.459 34.336 13.341 1.00 50.14 C ATOM 1049 OG1 THR A 66 20.866 35.020 12.230 1.00 49.34 O ATOM 1050 CG2 THR A 66 22.268 35.324 14.167 1.00 49.73 C ATOM 0 H THR A 66 20.864 31.732 12.659 1.00 49.53 H new ATOM 0 HA THR A 66 23.085 33.669 12.164 1.00 50.07 H new ATOM 0 HB THR A 66 20.680 33.906 13.971 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.293 35.743 12.559 1.00 49.34 H new ATOM 0 HG21 THR A 66 21.615 36.121 14.523 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.710 34.809 15.020 1.00 49.73 H new ATOM 0 HG23 THR A 66 23.060 35.751 13.551 1.00 49.73 H new ATOM 1058 N LEU A 67 24.345 32.464 14.066 1.00 49.53 N ATOM 1059 CA LEU A 67 25.028 31.876 15.224 1.00 50.07 C ATOM 1060 C LEU A 67 25.554 33.135 15.946 1.00 50.51 C ATOM 1061 O LEU A 67 26.046 33.995 15.198 1.00 49.49 O ATOM 1062 CB LEU A 67 26.167 30.942 14.795 1.00 49.82 C ATOM 1063 CG LEU A 67 26.777 30.097 15.921 1.00 49.91 C ATOM 1064 CD1 LEU A 67 25.820 28.980 16.314 1.00 49.73 C ATOM 1065 CD2 LEU A 67 28.112 29.528 15.463 1.00 49.73 C ATOM 0 H LEU A 67 24.962 32.850 13.351 1.00 49.53 H new ATOM 0 HA LEU A 67 24.389 31.248 15.845 1.00 50.07 H new ATOM 0 HB2 LEU A 67 25.794 30.272 14.021 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.957 31.542 14.344 1.00 49.82 H new ATOM 0 HG LEU A 67 26.945 30.725 16.796 1.00 49.91 H new ATOM 0 HD11 LEU A 67 26.263 28.386 17.114 1.00 49.73 H new ATOM 0 HD12 LEU A 67 24.880 29.411 16.659 1.00 49.73 H new ATOM 0 HD13 LEU A 67 25.631 28.342 15.451 1.00 49.73 H new ATOM 0 HD21 LEU A 67 28.545 28.928 16.263 1.00 49.73 H new ATOM 0 HD22 LEU A 67 27.959 28.903 14.583 1.00 49.73 H new ATOM 0 HD23 LEU A 67 28.790 30.345 15.215 1.00 49.73 H new ATOM 1077 N HIS A 68 25.583 33.123 17.231 1.00 49.53 N ATOM 1078 CA HIS A 68 26.126 34.296 17.958 1.00 50.07 C ATOM 1079 C HIS A 68 27.507 33.884 18.463 1.00 50.51 C ATOM 1080 O HIS A 68 27.753 32.693 18.749 1.00 49.49 O ATOM 1081 CB HIS A 68 25.217 34.702 19.123 1.00 49.92 C ATOM 1082 CG HIS A 68 23.788 34.911 18.727 1.00 50.22 C ATOM 1083 ND1 HIS A 68 23.351 36.056 18.096 1.00 49.30 N ATOM 1084 CD2 HIS A 68 22.698 34.121 18.873 1.00 49.95 C ATOM 1085 CE1 HIS A 68 22.052 35.961 17.870 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.633 34.798 18.332 1.00 49.64 N ATOM 0 H HIS A 68 25.256 32.356 17.818 1.00 49.53 H new ATOM 0 HA HIS A 68 26.186 35.165 17.302 1.00 50.07 H new ATOM 0 HB2 HIS A 68 25.262 33.932 19.893 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.600 35.621 19.568 1.00 49.92 H new ATOM 0 HD2 HIS A 68 22.671 33.142 19.329 1.00 49.95 H new ATOM 0 HE1 HIS A 68 21.438 36.708 17.389 1.00 50.25 H new ATOM 0 HE2 HIS A 68 20.672 34.457 18.293 1.00 49.64 H new ATOM 1094 N LEU A 69 28.391 34.853 18.629 1.00 49.53 N ATOM 1095 CA LEU A 69 29.721 34.603 19.174 1.00 50.07 C ATOM 1096 C LEU A 69 29.978 35.404 20.416 1.00 50.51 C ATOM 1097 O LEU A 69 30.200 36.659 20.280 1.00 49.49 O ATOM 1098 CB LEU A 69 30.791 34.909 18.118 1.00 49.82 C ATOM 1099 CG LEU A 69 32.235 34.922 18.635 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.615 33.543 19.157 1.00 49.73 C ATOM 1101 CD2 LEU A 69 33.172 35.352 17.516 1.00 49.73 C ATOM 0 H LEU A 69 28.212 35.829 18.393 1.00 49.53 H new ATOM 0 HA LEU A 69 29.771 33.549 19.447 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.714 34.169 17.321 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.573 35.880 17.674 1.00 49.82 H new ATOM 0 HG LEU A 69 32.321 35.633 19.457 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.642 33.562 19.522 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.946 33.265 19.971 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.530 32.813 18.352 1.00 49.73 H new ATOM 0 HD21 LEU A 69 34.198 35.361 17.884 1.00 49.73 H new ATOM 0 HD22 LEU A 69 33.091 34.652 16.684 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.899 36.351 17.177 1.00 49.73 H new ATOM 1113 N VAL A 70 29.915 34.825 21.572 1.00 49.53 N ATOM 1114 CA VAL A 70 30.267 35.554 22.824 1.00 50.07 C ATOM 1115 C VAL A 70 31.635 34.985 23.226 1.00 50.51 C ATOM 1116 O VAL A 70 31.777 33.745 23.311 1.00 49.49 O ATOM 1117 CB VAL A 70 29.242 35.323 23.950 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.666 36.055 25.215 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.858 35.774 23.513 1.00 49.73 C ATOM 0 H VAL A 70 29.629 33.856 21.712 1.00 49.53 H new ATOM 0 HA VAL A 70 30.278 36.632 22.660 1.00 50.07 H new ATOM 0 HB VAL A 70 29.203 34.255 24.166 1.00 49.91 H new ATOM 0 HG11 VAL A 70 28.930 35.881 26.000 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.638 35.686 25.540 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.733 37.124 25.012 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.147 35.603 24.322 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.882 36.836 23.269 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.551 35.207 22.634 1.00 49.73 H new ATOM 1129 N LEU A 71 32.611 35.839 23.435 1.00 49.53 N ATOM 1130 CA LEU A 71 33.952 35.378 23.859 1.00 50.07 C ATOM 1131 C LEU A 71 34.146 35.205 25.342 1.00 50.51 C ATOM 1132 O LEU A 71 33.757 36.071 26.149 1.00 49.49 O ATOM 1133 CB LEU A 71 35.017 36.336 23.312 1.00 49.82 C ATOM 1134 CG LEU A 71 35.284 36.225 21.806 1.00 49.91 C ATOM 1135 CD1 LEU A 71 34.003 36.489 21.027 1.00 49.73 C ATOM 1136 CD2 LEU A 71 36.370 37.214 21.407 1.00 49.73 C ATOM 0 H LEU A 71 32.523 36.849 23.325 1.00 49.53 H new ATOM 0 HA LEU A 71 34.053 34.376 23.442 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.713 37.358 23.536 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.951 36.157 23.844 1.00 49.82 H new ATOM 0 HG LEU A 71 35.624 35.216 21.572 1.00 49.91 H new ATOM 0 HD11 LEU A 71 34.204 36.408 19.959 1.00 49.73 H new ATOM 0 HD12 LEU A 71 33.247 35.757 21.311 1.00 49.73 H new ATOM 0 HD13 LEU A 71 33.640 37.492 21.253 1.00 49.73 H new ATOM 0 HD21 LEU A 71 36.559 37.134 20.336 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.044 38.227 21.644 1.00 49.73 H new ATOM 0 HD23 LEU A 71 37.285 36.990 21.955 1.00 49.73 H new ATOM 1148 N ARG A 72 34.801 34.176 25.734 1.00 49.53 N ATOM 1149 CA ARG A 72 35.122 33.904 27.151 1.00 50.07 C ATOM 1150 C ARG A 72 36.604 34.230 27.331 1.00 50.51 C ATOM 1151 O ARG A 72 37.354 33.659 26.477 1.00 49.49 O ATOM 1152 CB ARG A 72 34.788 32.480 27.571 1.00 49.82 C ATOM 1153 CG ARG A 72 35.192 32.121 28.993 1.00 49.82 C ATOM 1154 CD ARG A 72 35.042 30.682 29.326 1.00 50.20 C ATOM 1155 NE ARG A 72 35.947 29.799 28.608 1.00 49.30 N ATOM 1156 CZ ARG A 72 35.758 28.474 28.450 1.00 50.64 C ATOM 1157 NH1 ARG A 72 34.722 27.868 28.986 1.00 49.20 N ATOM 1158 NH2 ARG A 72 36.656 27.794 27.760 1.00 49.20 N ATOM 0 H ARG A 72 35.152 33.464 25.093 1.00 49.53 H new ATOM 0 HA ARG A 72 34.507 34.525 27.802 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.714 32.328 27.464 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.278 31.790 26.884 1.00 49.82 H new ATOM 0 HG2 ARG A 72 36.231 32.411 29.147 1.00 49.82 H new ATOM 0 HG3 ARG A 72 34.591 32.707 29.688 1.00 49.82 H new ATOM 0 HD2 ARG A 72 35.201 30.551 30.396 1.00 50.20 H new ATOM 0 HD3 ARG A 72 34.016 30.379 29.116 1.00 50.20 H new ATOM 0 HE ARG A 72 36.784 30.211 28.195 1.00 49.30 H new ATOM 0 HH11 ARG A 72 34.045 28.401 29.532 1.00 49.20 H new ATOM 0 HH12 ARG A 72 34.595 26.864 28.856 1.00 49.20 H new ATOM 0 HH21 ARG A 72 37.465 28.273 27.364 1.00 49.20 H new ATOM 0 HH22 ARG A 72 36.541 26.790 27.623 1.00 49.20 H new ATOM 1172 N LEU A 73 36.998 35.019 28.275 1.00 49.53 N ATOM 1173 CA LEU A 73 38.440 35.337 28.424 1.00 50.07 C ATOM 1174 C LEU A 73 38.889 34.622 29.691 1.00 50.51 C ATOM 1175 O LEU A 73 38.152 34.554 30.686 1.00 49.49 O ATOM 1176 CB LEU A 73 38.662 36.851 28.528 1.00 49.82 C ATOM 1177 CG LEU A 73 38.729 37.594 27.188 1.00 49.91 C ATOM 1178 CD1 LEU A 73 37.322 37.848 26.662 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.480 38.905 27.369 1.00 49.73 C ATOM 0 H LEU A 73 36.383 35.463 28.957 1.00 49.53 H new ATOM 0 HA LEU A 73 39.016 35.009 27.559 1.00 50.07 H new ATOM 0 HB2 LEU A 73 37.856 37.280 29.123 1.00 49.82 H new ATOM 0 HB3 LEU A 73 39.590 37.030 29.071 1.00 49.82 H new ATOM 0 HG LEU A 73 39.262 36.982 26.460 1.00 49.91 H new ATOM 0 HD11 LEU A 73 37.379 38.376 25.710 1.00 49.73 H new ATOM 0 HD12 LEU A 73 36.810 36.897 26.519 1.00 49.73 H new ATOM 0 HD13 LEU A 73 36.769 38.453 27.380 1.00 49.73 H new ATOM 0 HD21 LEU A 73 39.527 39.432 26.416 1.00 49.73 H new ATOM 0 HD22 LEU A 73 38.961 39.524 28.101 1.00 49.73 H new ATOM 0 HD23 LEU A 73 40.491 38.700 27.720 1.00 49.73 H new ATOM 1191 N ARG A 74 40.105 34.106 29.609 1.00 49.53 N ATOM 1192 CA ARG A 74 40.721 33.367 30.723 1.00 50.07 C ATOM 1193 C ARG A 74 41.345 34.395 31.662 1.00 50.51 C ATOM 1194 O ARG A 74 42.578 34.562 31.694 1.00 49.49 O ATOM 1195 CB ARG A 74 41.730 32.328 30.254 1.00 49.82 C ATOM 1196 CG ARG A 74 42.214 31.374 31.335 1.00 49.82 C ATOM 1197 CD ARG A 74 42.933 30.180 30.821 1.00 50.20 C ATOM 1198 NE ARG A 74 43.438 29.291 31.853 1.00 49.30 N ATOM 1199 CZ ARG A 74 44.019 28.098 31.619 1.00 50.64 C ATOM 1200 NH1 ARG A 74 44.135 27.630 30.395 1.00 49.20 N ATOM 1201 NH2 ARG A 74 44.447 27.397 32.654 1.00 49.20 N ATOM 0 H ARG A 74 40.696 34.181 28.781 1.00 49.53 H new ATOM 0 HA ARG A 74 39.959 32.791 31.248 1.00 50.07 H new ATOM 0 HB2 ARG A 74 41.282 31.745 29.449 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.592 32.844 29.832 1.00 49.82 H new ATOM 0 HG2 ARG A 74 42.873 31.916 32.013 1.00 49.82 H new ATOM 0 HG3 ARG A 74 41.357 31.043 31.921 1.00 49.82 H new ATOM 0 HD2 ARG A 74 42.261 29.618 30.172 1.00 50.20 H new ATOM 0 HD3 ARG A 74 43.768 30.512 30.204 1.00 50.20 H new ATOM 0 HE ARG A 74 43.346 29.591 32.824 1.00 49.30 H new ATOM 0 HH11 ARG A 74 43.783 28.172 29.606 1.00 49.20 H new ATOM 0 HH12 ARG A 74 44.577 26.725 30.235 1.00 49.20 H new ATOM 0 HH21 ARG A 74 44.334 27.762 33.599 1.00 49.20 H new ATOM 0 HH22 ARG A 74 44.891 26.490 32.507 1.00 49.20 H new ATOM 1215 N GLY A 75 40.486 34.994 32.477 1.00 49.53 N ATOM 1216 CA GLY A 75 40.882 35.995 33.458 1.00 49.98 C ATOM 1217 C GLY A 75 40.198 37.348 33.446 1.00 50.51 C ATOM 1218 O GLY A 75 39.382 37.671 32.565 1.00 49.49 O ATOM 0 H GLY A 75 39.485 34.796 32.475 1.00 49.53 H new ATOM 0 HA2 GLY A 75 40.736 35.562 34.447 1.00 49.98 H new ATOM 0 HA3 GLY A 75 41.952 36.166 33.340 1.00 49.98 H new ATOM 1222 N GLY A 76 40.829 38.269 34.149 1.00 49.53 N ATOM 1223 CA GLY A 76 40.388 39.665 34.289 1.00 49.98 C ATOM 1224 C GLY A 76 40.071 39.815 35.785 1.00 50.51 C ATOM 1225 O GLY A 76 38.974 40.333 36.069 1.00 49.49 O ATOM 0 H GLY A 76 41.690 38.072 34.658 1.00 49.53 H new ATOM 0 HA2 GLY A 76 41.166 40.361 33.976 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.511 39.869 33.674 1.00 49.98 H new TER 1229 GLY A 76