USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 7 THR OG1 : rot 140:sc= -1.74! USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.524 (180deg=-0.891) USER MOD Single : A 1 MET N :NH3+ -174:sc= 1.07 (180deg=0.952) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0109 (180deg=-0.191) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 29:sc= 0.0982 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0333 F(o=-0.69,f=-0.033) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0.0988 (180deg=0.0664) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.837 K(o=-0.84,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 41 GLN : amide:sc= -0.975 X(o=-0.98,f=-0.64!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0284 F(o=-1.8!,f=-0.028) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.498 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.732 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= -0.0115 K(o=-0.011,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -120:sc= -0.254 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.096 24.807 2.758 1.00 49.53 N ATOM 2 CA MET A 1 25.997 25.754 3.018 1.00 50.07 C ATOM 3 C MET A 1 26.747 26.956 3.640 1.00 50.51 C ATOM 4 O MET A 1 27.874 26.779 4.100 1.00 49.49 O ATOM 5 CB MET A 1 24.969 25.166 3.983 1.00 49.82 C ATOM 6 CG MET A 1 24.380 23.834 3.540 1.00 49.86 C ATOM 7 SD MET A 1 22.933 23.359 4.506 1.00 49.91 S ATOM 8 CE MET A 1 21.732 24.555 3.928 1.00 49.78 C ATOM 0 H1 MET A 1 26.729 23.984 2.239 1.00 49.53 H new ATOM 0 H2 MET A 1 27.831 25.275 2.190 1.00 49.53 H new ATOM 0 H3 MET A 1 27.505 24.493 3.661 1.00 49.53 H new ATOM 0 HA MET A 1 25.420 26.013 2.130 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.437 25.036 4.959 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.158 25.883 4.112 1.00 49.82 H new ATOM 0 HG2 MET A 1 24.105 23.895 2.487 1.00 49.86 H new ATOM 0 HG3 MET A 1 25.141 23.058 3.627 1.00 49.86 H new ATOM 0 HE1 MET A 1 20.727 24.202 4.158 1.00 49.78 H new ATOM 0 HE2 MET A 1 21.903 25.511 4.423 1.00 49.78 H new ATOM 0 HE3 MET A 1 21.834 24.681 2.850 1.00 49.78 H new ATOM 18 N GLN A 2 26.079 28.072 3.615 1.00 49.53 N ATOM 19 CA GLN A 2 26.688 29.296 4.224 1.00 50.07 C ATOM 20 C GLN A 2 25.802 29.571 5.430 1.00 50.51 C ATOM 21 O GLN A 2 24.544 29.475 5.390 1.00 49.49 O ATOM 22 CB GLN A 2 26.674 30.477 3.249 1.00 49.82 C ATOM 23 CG GLN A 2 27.360 30.197 1.923 1.00 49.82 C ATOM 24 CD GLN A 2 27.088 31.276 0.892 1.00 50.55 C ATOM 25 OE1 GLN A 2 26.415 32.271 1.177 1.00 49.45 O ATOM 26 NE2 GLN A 2 27.607 31.084 -0.316 1.00 49.38 N ATOM 0 H GLN A 2 25.152 28.195 3.208 1.00 49.53 H new ATOM 0 HA GLN A 2 27.736 29.155 4.487 1.00 50.07 H new ATOM 0 HB2 GLN A 2 25.640 30.763 3.057 1.00 49.82 H new ATOM 0 HB3 GLN A 2 27.158 31.331 3.723 1.00 49.82 H new ATOM 0 HG2 GLN A 2 28.435 30.114 2.083 1.00 49.82 H new ATOM 0 HG3 GLN A 2 27.020 29.236 1.537 1.00 49.82 H new ATOM 0 HE21 GLN A 2 28.157 30.247 -0.508 1.00 49.38 H new ATOM 0 HE22 GLN A 2 27.455 31.774 -1.052 1.00 49.38 H new ATOM 35 N ILE A 3 26.450 29.862 6.548 1.00 49.53 N ATOM 36 CA ILE A 3 25.720 30.293 7.755 1.00 50.07 C ATOM 37 C ILE A 3 26.325 31.661 8.189 1.00 50.51 C ATOM 38 O ILE A 3 27.309 32.033 7.570 1.00 49.49 O ATOM 39 CB ILE A 3 25.847 29.277 8.904 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.295 29.204 9.394 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.361 27.907 8.458 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.472 28.387 10.654 1.00 49.73 C ATOM 0 H ILE A 3 27.463 29.812 6.656 1.00 49.53 H new ATOM 0 HA ILE A 3 24.657 30.374 7.527 1.00 50.07 H new ATOM 0 HB ILE A 3 25.221 29.609 9.732 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.915 28.777 8.605 1.00 49.82 H new ATOM 0 HG13 ILE A 3 27.659 30.215 9.574 1.00 49.82 H new ATOM 0 HG21 ILE A 3 25.458 27.200 9.282 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.316 27.972 8.157 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.961 27.565 7.615 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.524 28.382 10.939 1.00 49.73 H new ATOM 0 HD12 ILE A 3 26.880 28.825 11.458 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.139 27.365 10.474 1.00 49.73 H new ATOM 54 N PHE A 4 25.673 32.235 9.173 1.00 49.53 N ATOM 55 CA PHE A 4 26.193 33.564 9.670 1.00 50.07 C ATOM 56 C PHE A 4 26.862 33.547 11.017 1.00 50.51 C ATOM 57 O PHE A 4 26.340 32.822 11.877 1.00 49.49 O ATOM 58 CB PHE A 4 25.058 34.588 9.685 1.00 49.82 C ATOM 59 CG PHE A 4 24.527 34.925 8.321 1.00 50.00 C ATOM 60 CD1 PHE A 4 23.660 34.063 7.666 1.00 49.88 C ATOM 61 CD2 PHE A 4 24.894 36.103 7.690 1.00 49.88 C ATOM 62 CE1 PHE A 4 23.171 34.372 6.411 1.00 49.88 C ATOM 63 CE2 PHE A 4 24.406 36.416 6.435 1.00 49.88 C ATOM 64 CZ PHE A 4 23.543 35.547 5.795 1.00 49.88 C ATOM 0 H PHE A 4 24.843 31.869 9.639 1.00 49.53 H new ATOM 0 HA PHE A 4 26.979 33.834 8.964 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.242 34.203 10.297 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.412 35.502 10.163 1.00 49.82 H new ATOM 0 HD1 PHE A 4 23.364 33.140 8.142 1.00 49.88 H new ATOM 0 HD2 PHE A 4 25.570 36.785 8.185 1.00 49.88 H new ATOM 0 HE1 PHE A 4 22.496 33.692 5.912 1.00 49.88 H new ATOM 0 HE2 PHE A 4 24.699 37.338 5.955 1.00 49.88 H new ATOM 0 HZ PHE A 4 23.161 35.788 4.814 1.00 49.88 H new ATOM 74 N VAL A 5 27.933 34.297 11.255 1.00 49.53 N ATOM 75 CA VAL A 5 28.543 34.369 12.567 1.00 50.07 C ATOM 76 C VAL A 5 28.532 35.877 12.920 1.00 50.51 C ATOM 77 O VAL A 5 29.247 36.561 12.179 1.00 49.49 O ATOM 78 CB VAL A 5 29.986 33.832 12.577 1.00 49.91 C ATOM 79 CG1 VAL A 5 30.545 33.832 13.993 1.00 49.73 C ATOM 80 CG2 VAL A 5 30.036 32.431 11.987 1.00 49.73 C ATOM 0 H VAL A 5 28.396 34.866 10.546 1.00 49.53 H new ATOM 0 HA VAL A 5 27.999 33.754 13.284 1.00 50.07 H new ATOM 0 HB VAL A 5 30.602 34.488 11.963 1.00 49.91 H new ATOM 0 HG11 VAL A 5 31.566 33.449 13.981 1.00 49.73 H new ATOM 0 HG12 VAL A 5 30.543 34.849 14.385 1.00 49.73 H new ATOM 0 HG13 VAL A 5 29.927 33.197 14.628 1.00 49.73 H new ATOM 0 HG21 VAL A 5 31.063 32.066 12.002 1.00 49.73 H new ATOM 0 HG22 VAL A 5 29.406 31.765 12.577 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.675 32.456 10.959 1.00 49.73 H new ATOM 90 N LYS A 6 27.739 36.255 13.862 1.00 49.53 N ATOM 91 CA LYS A 6 27.639 37.709 14.233 1.00 50.07 C ATOM 92 C LYS A 6 28.671 37.921 15.308 1.00 50.51 C ATOM 93 O LYS A 6 28.897 37.024 16.154 1.00 49.49 O ATOM 94 CB LYS A 6 26.239 38.060 14.738 1.00 49.82 C ATOM 95 CG LYS A 6 26.108 39.470 15.300 1.00 49.82 C ATOM 96 CD LYS A 6 24.659 39.935 15.292 1.00 49.82 C ATOM 97 CE LYS A 6 23.856 39.269 16.399 1.00 50.21 C ATOM 98 NZ LYS A 6 24.256 39.755 17.748 1.00 49.70 N ATOM 0 H LYS A 6 27.144 35.629 14.405 1.00 49.53 H new ATOM 0 HA LYS A 6 27.815 38.353 13.372 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.530 37.941 13.919 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.955 37.346 15.511 1.00 49.82 H new ATOM 0 HG2 LYS A 6 26.495 39.495 16.319 1.00 49.82 H new ATOM 0 HG3 LYS A 6 26.716 40.157 14.711 1.00 49.82 H new ATOM 0 HD2 LYS A 6 24.622 41.017 15.414 1.00 49.82 H new ATOM 0 HD3 LYS A 6 24.208 39.708 14.326 1.00 49.82 H new ATOM 0 HE2 LYS A 6 22.795 39.463 16.244 1.00 50.21 H new ATOM 0 HE3 LYS A 6 23.994 38.189 16.347 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 23.534 39.481 18.444 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 25.169 39.333 18.012 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 24.345 40.791 17.731 1.00 49.70 H new ATOM 112 N THR A 7 29.325 39.104 15.313 1.00 49.53 N ATOM 113 CA THR A 7 30.346 39.379 16.334 1.00 50.07 C ATOM 114 C THR A 7 29.981 40.560 17.238 1.00 50.51 C ATOM 115 O THR A 7 28.975 41.214 16.952 1.00 49.49 O ATOM 116 CB THR A 7 31.719 39.654 15.693 1.00 50.14 C ATOM 117 OG1 THR A 7 31.702 40.937 15.053 1.00 49.34 O ATOM 118 CG2 THR A 7 32.051 38.583 14.665 1.00 49.73 C ATOM 0 H THR A 7 29.168 39.857 14.643 1.00 49.53 H new ATOM 0 HA THR A 7 30.395 38.480 16.948 1.00 50.07 H new ATOM 0 HB THR A 7 32.478 39.641 16.475 1.00 50.14 H new ATOM 0 HG1 THR A 7 32.555 41.393 15.212 1.00 49.34 H new ATOM 0 HG21 THR A 7 33.025 38.793 14.222 1.00 49.73 H new ATOM 0 HG22 THR A 7 32.076 37.608 15.151 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.290 38.580 13.884 1.00 49.73 H new ATOM 126 N LEU A 8 30.799 40.859 18.224 1.00 49.53 N ATOM 127 CA LEU A 8 30.492 41.958 19.166 1.00 50.07 C ATOM 128 C LEU A 8 30.455 43.314 18.489 1.00 50.51 C ATOM 129 O LEU A 8 29.760 44.227 18.978 1.00 49.49 O ATOM 130 CB LEU A 8 31.514 41.970 20.310 1.00 49.82 C ATOM 131 CG LEU A 8 31.271 40.930 21.412 1.00 49.91 C ATOM 132 CD1 LEU A 8 31.642 39.541 20.910 1.00 49.73 C ATOM 133 CD2 LEU A 8 32.087 41.295 22.643 1.00 49.73 C ATOM 0 H LEU A 8 31.677 40.373 18.408 1.00 49.53 H new ATOM 0 HA LEU A 8 29.494 41.771 19.562 1.00 50.07 H new ATOM 0 HB2 LEU A 8 32.507 41.807 19.891 1.00 49.82 H new ATOM 0 HB3 LEU A 8 31.518 42.962 20.762 1.00 49.82 H new ATOM 0 HG LEU A 8 30.215 40.924 21.681 1.00 49.91 H new ATOM 0 HD11 LEU A 8 31.466 38.810 21.699 1.00 49.73 H new ATOM 0 HD12 LEU A 8 31.031 39.292 20.042 1.00 49.73 H new ATOM 0 HD13 LEU A 8 32.695 39.525 20.629 1.00 49.73 H new ATOM 0 HD21 LEU A 8 31.915 40.556 23.426 1.00 49.73 H new ATOM 0 HD22 LEU A 8 33.146 41.311 22.386 1.00 49.73 H new ATOM 0 HD23 LEU A 8 31.786 42.280 23.000 1.00 49.73 H new ATOM 145 N THR A 9 31.159 43.466 17.352 1.00 49.53 N ATOM 146 CA THR A 9 31.089 44.826 16.718 1.00 50.07 C ATOM 147 C THR A 9 30.135 44.826 15.563 1.00 50.51 C ATOM 148 O THR A 9 30.288 45.582 14.587 1.00 49.49 O ATOM 149 CB THR A 9 32.473 45.295 16.230 1.00 50.14 C ATOM 150 OG1 THR A 9 33.059 44.282 15.403 1.00 49.34 O ATOM 151 CG2 THR A 9 33.390 45.573 17.411 1.00 49.73 C ATOM 0 H THR A 9 31.728 42.761 16.883 1.00 49.53 H new ATOM 0 HA THR A 9 30.735 45.517 17.483 1.00 50.07 H new ATOM 0 HB THR A 9 32.347 46.214 15.657 1.00 50.14 H new ATOM 0 HG1 THR A 9 33.938 44.582 15.092 1.00 49.34 H new ATOM 0 HG21 THR A 9 34.363 45.903 17.047 1.00 49.73 H new ATOM 0 HG22 THR A 9 32.953 46.352 18.035 1.00 49.73 H new ATOM 0 HG23 THR A 9 33.512 44.663 17.999 1.00 49.73 H new ATOM 159 N GLY A 10 29.177 43.951 15.565 1.00 49.53 N ATOM 160 CA GLY A 10 28.184 43.840 14.521 1.00 49.98 C ATOM 161 C GLY A 10 28.905 43.538 13.241 1.00 50.51 C ATOM 162 O GLY A 10 28.461 43.961 12.150 1.00 49.49 O ATOM 0 H GLY A 10 29.054 43.269 16.314 1.00 49.53 H new ATOM 0 HA2 GLY A 10 27.470 43.050 14.754 1.00 49.98 H new ATOM 0 HA3 GLY A 10 27.617 44.766 14.432 1.00 49.98 H new ATOM 166 N LYS A 11 30.007 42.841 13.345 1.00 49.53 N ATOM 167 CA LYS A 11 30.757 42.382 12.184 1.00 50.07 C ATOM 168 C LYS A 11 30.059 41.058 11.796 1.00 50.51 C ATOM 169 O LYS A 11 30.009 40.185 12.656 1.00 49.49 O ATOM 170 CB LYS A 11 32.232 42.159 12.519 1.00 49.82 C ATOM 171 CG LYS A 11 33.160 42.174 11.312 1.00 49.82 C ATOM 172 CD LYS A 11 34.621 42.125 11.735 1.00 49.82 C ATOM 173 CE LYS A 11 35.072 40.697 12.003 1.00 50.21 C ATOM 174 NZ LYS A 11 36.524 40.624 12.325 1.00 49.70 N ATOM 0 H LYS A 11 30.419 42.570 14.238 1.00 49.53 H new ATOM 0 HA LYS A 11 30.759 43.110 11.373 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.554 42.930 13.219 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.335 41.202 13.030 1.00 49.82 H new ATOM 0 HG2 LYS A 11 32.937 41.323 10.669 1.00 49.82 H new ATOM 0 HG3 LYS A 11 32.980 43.074 10.724 1.00 49.82 H new ATOM 0 HD2 LYS A 11 35.242 42.564 10.955 1.00 49.82 H new ATOM 0 HD3 LYS A 11 34.762 42.728 12.632 1.00 49.82 H new ATOM 0 HE2 LYS A 11 34.495 40.284 12.831 1.00 50.21 H new ATOM 0 HE3 LYS A 11 34.863 40.080 11.129 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 36.791 39.634 12.501 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 37.076 40.995 11.525 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 36.720 41.192 13.174 1.00 49.70 H new ATOM 188 N THR A 12 29.621 40.967 10.554 1.00 49.53 N ATOM 189 CA THR A 12 29.029 39.685 10.128 1.00 50.07 C ATOM 190 C THR A 12 30.095 38.995 9.278 1.00 50.51 C ATOM 191 O THR A 12 30.602 39.671 8.380 1.00 49.49 O ATOM 192 CB THR A 12 27.743 39.879 9.303 1.00 50.14 C ATOM 193 OG1 THR A 12 27.918 40.973 8.393 1.00 49.34 O ATOM 194 CG2 THR A 12 26.562 40.168 10.217 1.00 49.73 C ATOM 0 H THR A 12 29.652 41.706 9.852 1.00 49.53 H new ATOM 0 HA THR A 12 28.743 39.095 10.999 1.00 50.07 H new ATOM 0 HB THR A 12 27.543 38.963 8.747 1.00 50.14 H new ATOM 0 HG1 THR A 12 28.864 41.047 8.149 1.00 49.34 H new ATOM 0 HG21 THR A 12 25.662 40.302 9.617 1.00 49.73 H new ATOM 0 HG22 THR A 12 26.420 39.333 10.903 1.00 49.73 H new ATOM 0 HG23 THR A 12 26.757 41.076 10.787 1.00 49.73 H new ATOM 202 N ILE A 13 30.254 37.687 9.486 1.00 49.53 N ATOM 203 CA ILE A 13 31.296 37.032 8.641 1.00 50.07 C ATOM 204 C ILE A 13 30.688 35.677 8.401 1.00 50.51 C ATOM 205 O ILE A 13 30.524 34.893 9.354 1.00 49.49 O ATOM 206 CB ILE A 13 32.652 36.898 9.359 1.00 49.91 C ATOM 207 CG1 ILE A 13 33.678 36.231 8.440 1.00 49.82 C ATOM 208 CG2 ILE A 13 32.495 36.110 10.650 1.00 49.73 C ATOM 209 CD1 ILE A 13 35.095 36.287 8.965 1.00 49.73 C ATOM 0 H ILE A 13 29.748 37.100 10.149 1.00 49.53 H new ATOM 0 HA ILE A 13 31.525 37.599 7.739 1.00 50.07 H new ATOM 0 HB ILE A 13 33.012 37.896 9.609 1.00 49.91 H new ATOM 0 HG12 ILE A 13 33.396 35.188 8.292 1.00 49.82 H new ATOM 0 HG13 ILE A 13 33.643 36.712 7.463 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.463 36.025 11.144 1.00 49.73 H new ATOM 0 HG22 ILE A 13 31.795 36.625 11.308 1.00 49.73 H new ATOM 0 HG23 ILE A 13 32.114 35.114 10.424 1.00 49.73 H new ATOM 0 HD11 ILE A 13 35.764 35.794 8.260 1.00 49.73 H new ATOM 0 HD12 ILE A 13 35.397 37.327 9.086 1.00 49.73 H new ATOM 0 HD13 ILE A 13 35.146 35.780 9.929 1.00 49.73 H new ATOM 221 N THR A 14 30.305 35.383 7.179 1.00 49.53 N ATOM 222 CA THR A 14 29.743 34.020 6.947 1.00 50.07 C ATOM 223 C THR A 14 30.769 32.931 6.766 1.00 50.51 C ATOM 224 O THR A 14 31.902 33.200 6.288 1.00 49.49 O ATOM 225 CB THR A 14 28.808 34.010 5.725 1.00 50.14 C ATOM 226 OG1 THR A 14 29.575 34.207 4.531 1.00 49.34 O ATOM 227 CG2 THR A 14 27.766 35.113 5.842 1.00 49.73 C ATOM 0 H THR A 14 30.354 35.999 6.368 1.00 49.53 H new ATOM 0 HA THR A 14 29.199 33.797 7.865 1.00 50.07 H new ATOM 0 HB THR A 14 28.300 33.047 5.683 1.00 50.14 H new ATOM 0 HG1 THR A 14 28.978 34.199 3.754 1.00 49.34 H new ATOM 0 HG21 THR A 14 27.113 35.091 4.969 1.00 49.73 H new ATOM 0 HG22 THR A 14 27.172 34.959 6.743 1.00 49.73 H new ATOM 0 HG23 THR A 14 28.265 36.080 5.898 1.00 49.73 H new ATOM 235 N LEU A 15 30.424 31.685 7.052 1.00 49.53 N ATOM 236 CA LEU A 15 31.346 30.578 6.923 1.00 50.07 C ATOM 237 C LEU A 15 30.892 29.613 5.823 1.00 50.51 C ATOM 238 O LEU A 15 29.720 29.712 5.488 1.00 49.49 O ATOM 239 CB LEU A 15 31.480 29.841 8.262 1.00 49.82 C ATOM 240 CG LEU A 15 32.003 30.690 9.427 1.00 49.91 C ATOM 241 CD1 LEU A 15 31.960 29.887 10.720 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.421 31.152 9.124 1.00 49.73 C ATOM 0 H LEU A 15 29.496 31.418 7.380 1.00 49.53 H new ATOM 0 HA LEU A 15 32.321 30.975 6.642 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.505 29.439 8.536 1.00 49.82 H new ATOM 0 HB3 LEU A 15 32.148 28.991 8.125 1.00 49.82 H new ATOM 0 HG LEU A 15 31.368 31.567 9.551 1.00 49.91 H new ATOM 0 HD11 LEU A 15 32.333 30.499 11.541 1.00 49.73 H new ATOM 0 HD12 LEU A 15 30.933 29.588 10.929 1.00 49.73 H new ATOM 0 HD13 LEU A 15 32.583 28.998 10.617 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.792 31.755 9.953 1.00 49.73 H new ATOM 0 HD22 LEU A 15 34.066 30.283 8.990 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.422 31.749 8.212 1.00 49.73 H new ATOM 254 N GLU A 16 31.783 28.722 5.458 1.00 49.53 N ATOM 255 CA GLU A 16 31.340 27.670 4.485 1.00 50.07 C ATOM 256 C GLU A 16 31.330 26.361 5.245 1.00 50.51 C ATOM 257 O GLU A 16 32.400 25.863 5.593 1.00 49.49 O ATOM 258 CB GLU A 16 32.282 27.597 3.280 1.00 49.82 C ATOM 259 CG GLU A 16 32.407 28.898 2.501 1.00 49.72 C ATOM 260 CD GLU A 16 33.498 28.814 1.470 1.00 50.62 C ATOM 261 OE1 GLU A 16 34.116 27.781 1.370 1.00 49.24 O ATOM 262 OE2 GLU A 16 33.640 29.740 0.707 1.00 49.24 O ATOM 0 H GLU A 16 32.752 28.674 5.772 1.00 49.53 H new ATOM 0 HA GLU A 16 30.352 27.901 4.087 1.00 50.07 H new ATOM 0 HB2 GLU A 16 33.272 27.298 3.625 1.00 49.82 H new ATOM 0 HB3 GLU A 16 31.930 26.816 2.606 1.00 49.82 H new ATOM 0 HG2 GLU A 16 31.459 29.125 2.013 1.00 49.72 H new ATOM 0 HG3 GLU A 16 32.616 29.718 3.189 1.00 49.72 H new ATOM 269 N VAL A 17 30.109 25.962 5.569 1.00 49.53 N ATOM 270 CA VAL A 17 29.873 24.749 6.343 1.00 50.07 C ATOM 271 C VAL A 17 29.289 23.574 5.543 1.00 50.51 C ATOM 272 O VAL A 17 28.550 23.757 4.548 1.00 49.49 O ATOM 273 CB VAL A 17 28.944 25.032 7.538 1.00 49.91 C ATOM 274 CG1 VAL A 17 29.520 26.138 8.410 1.00 49.73 C ATOM 275 CG2 VAL A 17 27.552 25.407 7.055 1.00 49.73 C ATOM 0 H VAL A 17 29.260 26.463 5.307 1.00 49.53 H new ATOM 0 HA VAL A 17 30.866 24.446 6.676 1.00 50.07 H new ATOM 0 HB VAL A 17 28.868 24.124 8.137 1.00 49.91 H new ATOM 0 HG11 VAL A 17 28.851 26.325 9.250 1.00 49.73 H new ATOM 0 HG12 VAL A 17 30.497 25.834 8.785 1.00 49.73 H new ATOM 0 HG13 VAL A 17 29.625 27.049 7.820 1.00 49.73 H new ATOM 0 HG21 VAL A 17 26.910 25.603 7.913 1.00 49.73 H new ATOM 0 HG22 VAL A 17 27.611 26.301 6.434 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.136 24.586 6.471 1.00 49.73 H new ATOM 285 N GLU A 18 29.684 22.411 6.009 1.00 49.53 N ATOM 286 CA GLU A 18 29.190 21.128 5.508 1.00 50.07 C ATOM 287 C GLU A 18 28.424 20.354 6.571 1.00 50.51 C ATOM 288 O GLU A 18 28.668 20.496 7.759 1.00 49.49 O ATOM 289 CB GLU A 18 30.351 20.280 4.982 1.00 49.82 C ATOM 290 CG GLU A 18 30.930 20.759 3.659 1.00 49.72 C ATOM 291 CD GLU A 18 31.868 19.741 3.073 1.00 50.62 C ATOM 292 OE1 GLU A 18 31.448 18.630 2.853 1.00 49.24 O ATOM 293 OE2 GLU A 18 32.972 20.103 2.740 1.00 49.24 O ATOM 0 H GLU A 18 30.369 22.318 6.759 1.00 49.53 H new ATOM 0 HA GLU A 18 28.498 21.345 4.694 1.00 50.07 H new ATOM 0 HB2 GLU A 18 31.145 20.269 5.729 1.00 49.82 H new ATOM 0 HB3 GLU A 18 30.010 19.252 4.864 1.00 49.82 H new ATOM 0 HG2 GLU A 18 30.121 20.958 2.956 1.00 49.72 H new ATOM 0 HG3 GLU A 18 31.459 21.700 3.811 1.00 49.72 H new ATOM 300 N PRO A 19 27.454 19.564 6.151 1.00 49.71 N ATOM 301 CA PRO A 19 26.670 18.726 7.062 1.00 50.02 C ATOM 302 C PRO A 19 27.547 17.830 7.900 1.00 50.51 C ATOM 303 O PRO A 19 27.153 17.358 8.975 1.00 49.49 O ATOM 304 CB PRO A 19 25.772 17.899 6.115 1.00 49.82 C ATOM 305 CG PRO A 19 25.607 18.806 4.940 1.00 49.82 C ATOM 306 CD PRO A 19 27.030 19.388 4.740 1.00 50.00 C ATOM 0 HA PRO A 19 26.103 19.317 7.781 1.00 50.02 H new ATOM 0 HB2 PRO A 19 26.240 16.955 5.835 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.815 17.655 6.576 1.00 49.82 H new ATOM 0 HG2 PRO A 19 25.266 18.264 4.058 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.875 19.590 5.136 1.00 49.82 H new ATOM 0 HD2 PRO A 19 27.683 18.707 4.193 1.00 50.00 H new ATOM 0 HD3 PRO A 19 27.019 20.329 4.190 1.00 50.00 H new ATOM 314 N SER A 20 28.739 17.530 7.412 1.00 49.53 N ATOM 315 CA SER A 20 29.636 16.618 8.140 1.00 50.07 C ATOM 316 C SER A 20 30.479 17.369 9.143 1.00 50.51 C ATOM 317 O SER A 20 31.344 16.736 9.773 1.00 49.49 O ATOM 318 CB SER A 20 30.519 15.866 7.165 1.00 50.05 C ATOM 319 OG SER A 20 31.554 16.667 6.665 1.00 49.34 O ATOM 0 H SER A 20 29.112 17.891 6.534 1.00 49.53 H new ATOM 0 HA SER A 20 29.023 15.902 8.687 1.00 50.07 H new ATOM 0 HB2 SER A 20 30.944 14.993 7.661 1.00 50.05 H new ATOM 0 HB3 SER A 20 29.913 15.499 6.337 1.00 50.05 H new ATOM 0 HG SER A 20 32.101 16.144 6.042 1.00 49.34 H new ATOM 325 N ASP A 21 30.332 18.695 9.181 1.00 49.53 N ATOM 326 CA ASP A 21 31.173 19.450 10.148 1.00 50.07 C ATOM 327 C ASP A 21 30.715 19.421 11.583 1.00 50.51 C ATOM 328 O ASP A 21 29.552 19.751 11.888 1.00 49.49 O ATOM 329 CB ASP A 21 31.304 20.906 9.692 1.00 49.72 C ATOM 330 CG ASP A 21 32.070 21.090 8.389 1.00 50.62 C ATOM 331 OD1 ASP A 21 32.837 20.222 8.046 1.00 49.24 O ATOM 332 OD2 ASP A 21 31.769 22.014 7.673 1.00 49.24 O ATOM 0 H ASP A 21 29.694 19.246 8.607 1.00 49.53 H new ATOM 0 HA ASP A 21 32.132 18.931 10.142 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.306 21.329 9.576 1.00 49.72 H new ATOM 0 HB3 ASP A 21 31.802 21.476 10.476 1.00 49.72 H new ATOM 337 N THR A 22 31.645 19.139 12.478 1.00 49.53 N ATOM 338 CA THR A 22 31.382 19.163 13.899 1.00 50.07 C ATOM 339 C THR A 22 31.610 20.577 14.482 1.00 50.51 C ATOM 340 O THR A 22 32.473 21.309 13.991 1.00 49.49 O ATOM 341 CB THR A 22 32.272 18.157 14.655 1.00 50.14 C ATOM 342 OG1 THR A 22 33.650 18.416 14.357 1.00 49.34 O ATOM 343 CG2 THR A 22 31.928 16.732 14.249 1.00 49.73 C ATOM 0 H THR A 22 32.603 18.887 12.236 1.00 49.53 H new ATOM 0 HA THR A 22 30.338 18.881 14.032 1.00 50.07 H new ATOM 0 HB THR A 22 32.097 18.272 15.725 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.215 17.777 14.840 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.566 16.035 14.792 1.00 49.73 H new ATOM 0 HG22 THR A 22 30.884 16.528 14.486 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.088 16.610 13.178 1.00 49.73 H new ATOM 351 N ILE A 23 30.812 20.853 15.515 1.00 49.53 N ATOM 352 CA ILE A 23 30.945 22.107 16.252 1.00 50.07 C ATOM 353 C ILE A 23 32.373 22.459 16.672 1.00 50.51 C ATOM 354 O ILE A 23 32.760 23.636 16.777 1.00 49.49 O ATOM 355 CB ILE A 23 30.055 22.102 17.508 1.00 49.91 C ATOM 356 CG1 ILE A 23 28.576 22.124 17.114 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.389 23.287 18.401 1.00 49.73 C ATOM 358 CD1 ILE A 23 27.642 21.703 18.226 1.00 49.73 C ATOM 0 H ILE A 23 30.077 20.233 15.855 1.00 49.53 H new ATOM 0 HA ILE A 23 30.625 22.871 15.543 1.00 50.07 H new ATOM 0 HB ILE A 23 30.249 21.186 18.067 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.311 23.131 16.791 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.428 21.465 16.258 1.00 49.82 H new ATOM 0 HG21 ILE A 23 29.751 23.268 19.284 1.00 49.73 H new ATOM 0 HG22 ILE A 23 31.434 23.229 18.707 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.222 24.214 17.853 1.00 49.73 H new ATOM 0 HD11 ILE A 23 26.612 21.744 17.871 1.00 49.73 H new ATOM 0 HD12 ILE A 23 27.879 20.685 18.535 1.00 49.73 H new ATOM 0 HD13 ILE A 23 27.760 22.376 19.075 1.00 49.73 H new ATOM 370 N GLU A 24 33.180 21.448 16.899 1.00 49.53 N ATOM 371 CA GLU A 24 34.619 21.693 17.251 1.00 50.07 C ATOM 372 C GLU A 24 35.163 22.525 16.116 1.00 50.51 C ATOM 373 O GLU A 24 35.647 23.665 16.320 1.00 49.49 O ATOM 374 CB GLU A 24 35.390 20.379 17.392 1.00 49.82 C ATOM 375 CG GLU A 24 36.848 20.546 17.798 1.00 49.72 C ATOM 376 CD GLU A 24 37.447 19.237 18.231 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.746 18.254 18.231 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.635 19.195 18.454 1.00 49.24 O ATOM 0 H GLU A 24 32.906 20.466 16.856 1.00 49.53 H new ATOM 0 HA GLU A 24 34.720 22.198 18.212 1.00 50.07 H new ATOM 0 HB2 GLU A 24 34.889 19.755 18.132 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.349 19.844 16.443 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.417 20.950 16.961 1.00 49.72 H new ATOM 0 HG3 GLU A 24 36.921 21.269 18.611 1.00 49.72 H new ATOM 385 N ASN A 25 35.187 21.957 14.921 1.00 49.53 N ATOM 386 CA ASN A 25 35.687 22.607 13.704 1.00 50.07 C ATOM 387 C ASN A 25 35.175 24.002 13.346 1.00 50.51 C ATOM 388 O ASN A 25 35.928 24.841 12.811 1.00 49.49 O ATOM 389 CB ASN A 25 35.487 21.696 12.506 1.00 49.82 C ATOM 390 CG ASN A 25 36.493 20.582 12.420 1.00 50.55 C ATOM 391 OD1 ASN A 25 37.726 20.911 12.703 1.00 49.45 O flip ATOM 392 ND2 ASN A 25 36.143 19.422 12.171 1.00 49.38 N flip ATOM 0 H ASN A 25 34.852 21.007 14.759 1.00 49.53 H new ATOM 0 HA ASN A 25 36.734 22.776 13.956 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.486 21.267 12.550 1.00 49.82 H new ATOM 0 HB3 ASN A 25 35.539 22.292 11.595 1.00 49.82 H new ATOM 0 HD21 ASN A 25 35.167 19.219 11.956 1.00 49.38 H new ATOM 0 HD22 ASN A 25 36.831 18.669 12.181 1.00 49.38 H new ATOM 399 N VAL A 26 33.878 24.173 13.555 1.00 49.53 N ATOM 400 CA VAL A 26 33.247 25.461 13.290 1.00 50.07 C ATOM 401 C VAL A 26 34.007 26.517 14.086 1.00 50.51 C ATOM 402 O VAL A 26 34.036 27.697 13.721 1.00 49.49 O ATOM 403 CB VAL A 26 31.761 25.472 13.697 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.191 26.880 13.595 1.00 49.73 C ATOM 405 CG2 VAL A 26 30.962 24.513 12.828 1.00 49.73 C ATOM 0 H VAL A 26 33.248 23.449 13.902 1.00 49.53 H new ATOM 0 HA VAL A 26 33.284 25.664 12.220 1.00 50.07 H new ATOM 0 HB VAL A 26 31.687 25.142 14.733 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.141 26.869 13.886 1.00 49.73 H new ATOM 0 HG12 VAL A 26 31.744 27.545 14.258 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.279 27.235 12.568 1.00 49.73 H new ATOM 0 HG21 VAL A 26 29.915 24.534 13.130 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.044 24.814 11.784 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.353 23.503 12.947 1.00 49.73 H new ATOM 415 N LYS A 27 34.677 26.073 15.142 1.00 49.53 N ATOM 416 CA LYS A 27 35.445 26.996 15.991 1.00 50.07 C ATOM 417 C LYS A 27 36.892 27.277 15.623 1.00 50.51 C ATOM 418 O LYS A 27 37.420 28.349 16.013 1.00 49.49 O ATOM 419 CB LYS A 27 35.393 26.511 17.441 1.00 49.82 C ATOM 420 CG LYS A 27 34.037 26.677 18.112 1.00 49.82 C ATOM 421 CD LYS A 27 33.987 25.951 19.448 1.00 49.82 C ATOM 422 CE LYS A 27 32.607 26.047 20.080 1.00 50.21 C ATOM 423 NZ LYS A 27 32.263 27.445 20.456 1.00 49.70 N ATOM 0 H LYS A 27 34.709 25.096 15.434 1.00 49.53 H new ATOM 0 HA LYS A 27 34.947 27.952 15.830 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.672 25.458 17.469 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.140 27.054 18.020 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.832 27.737 18.264 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.256 26.292 17.457 1.00 49.82 H new ATOM 0 HD2 LYS A 27 34.251 24.903 19.305 1.00 49.82 H new ATOM 0 HD3 LYS A 27 34.729 26.377 20.123 1.00 49.82 H new ATOM 0 HE2 LYS A 27 31.861 25.665 19.383 1.00 50.21 H new ATOM 0 HE3 LYS A 27 32.569 25.413 20.966 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 31.353 27.455 20.959 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 33.005 27.831 21.075 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 32.191 28.028 19.598 1.00 49.70 H new ATOM 437 N ALA A 28 37.551 26.354 14.954 1.00 49.53 N ATOM 438 CA ALA A 28 38.931 26.558 14.493 1.00 50.07 C ATOM 439 C ALA A 28 38.927 27.225 13.130 1.00 50.51 C ATOM 440 O ALA A 28 39.929 27.919 12.744 1.00 49.49 O ATOM 441 CB ALA A 28 39.687 25.217 14.443 1.00 49.73 C ATOM 0 H ALA A 28 37.159 25.444 14.710 1.00 49.53 H new ATOM 0 HA ALA A 28 39.447 27.210 15.198 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.707 25.387 14.099 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.708 24.774 15.439 1.00 49.73 H new ATOM 0 HB3 ALA A 28 39.181 24.539 13.755 1.00 49.73 H new ATOM 447 N LYS A 29 37.859 27.103 12.355 1.00 49.53 N ATOM 448 CA LYS A 29 37.758 27.798 11.056 1.00 50.07 C ATOM 449 C LYS A 29 37.777 29.329 11.234 1.00 50.51 C ATOM 450 O LYS A 29 38.573 30.078 10.617 1.00 49.49 O ATOM 451 CB LYS A 29 36.489 27.371 10.318 1.00 49.82 C ATOM 452 CG LYS A 29 36.504 25.932 9.820 1.00 49.82 C ATOM 453 CD LYS A 29 37.538 25.739 8.720 1.00 49.82 C ATOM 454 CE LYS A 29 37.535 24.308 8.203 1.00 50.21 C ATOM 455 NZ LYS A 29 38.554 24.099 7.138 1.00 49.70 N ATOM 0 H LYS A 29 37.046 26.534 12.592 1.00 49.53 H new ATOM 0 HA LYS A 29 38.627 27.516 10.462 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.635 27.504 10.982 1.00 49.82 H new ATOM 0 HB3 LYS A 29 36.337 28.035 9.467 1.00 49.82 H new ATOM 0 HG2 LYS A 29 36.723 25.260 10.650 1.00 49.82 H new ATOM 0 HG3 LYS A 29 35.516 25.664 9.445 1.00 49.82 H new ATOM 0 HD2 LYS A 29 37.331 26.425 7.899 1.00 49.82 H new ATOM 0 HD3 LYS A 29 38.528 25.988 9.101 1.00 49.82 H new ATOM 0 HE2 LYS A 29 37.728 23.623 9.029 1.00 50.21 H new ATOM 0 HE3 LYS A 29 36.547 24.066 7.812 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 38.519 23.112 6.813 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 38.356 24.734 6.338 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 39.500 24.305 7.517 1.00 49.70 H new ATOM 469 N ILE A 30 36.931 29.812 12.143 1.00 49.53 N ATOM 470 CA ILE A 30 36.877 31.265 12.386 1.00 50.07 C ATOM 471 C ILE A 30 38.283 31.750 12.764 1.00 50.51 C ATOM 472 O ILE A 30 38.657 32.896 12.424 1.00 49.49 O ATOM 473 CB ILE A 30 35.888 31.625 13.509 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.452 31.328 13.071 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.037 33.087 13.902 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.468 31.242 14.217 1.00 49.73 C ATOM 0 H ILE A 30 36.294 29.250 12.707 1.00 49.53 H new ATOM 0 HA ILE A 30 36.529 31.754 11.476 1.00 50.07 H new ATOM 0 HB ILE A 30 36.116 31.011 14.381 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.125 32.106 12.381 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.437 30.387 12.521 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.330 33.324 14.697 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.053 33.267 14.254 1.00 49.73 H new ATOM 0 HG23 ILE A 30 35.835 33.719 13.037 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.473 31.029 13.827 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.770 30.445 14.896 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.452 32.190 14.755 1.00 49.73 H new ATOM 488 N GLN A 31 39.034 30.971 13.502 1.00 49.53 N ATOM 489 CA GLN A 31 40.410 31.439 13.860 1.00 50.07 C ATOM 490 C GLN A 31 41.307 31.840 12.676 1.00 50.51 C ATOM 491 O GLN A 31 42.025 32.865 12.620 1.00 49.49 O ATOM 492 CB GLN A 31 41.126 30.364 14.680 1.00 49.82 C ATOM 493 CG GLN A 31 42.430 30.825 15.309 1.00 49.82 C ATOM 494 CD GLN A 31 43.094 29.736 16.130 1.00 50.55 C ATOM 495 OE1 GLN A 31 42.620 28.597 16.175 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.194 30.081 16.790 1.00 49.38 N ATOM 0 H GLN A 31 38.765 30.056 13.864 1.00 49.53 H new ATOM 0 HA GLN A 31 40.250 32.353 14.432 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.457 30.019 15.469 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.329 29.508 14.037 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.113 31.152 14.525 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.238 31.689 15.945 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.550 31.034 16.724 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.682 29.393 17.363 1.00 49.38 H new ATOM 505 N ASP A 32 41.273 30.988 11.680 1.00 49.53 N ATOM 506 CA ASP A 32 42.067 31.235 10.453 1.00 50.07 C ATOM 507 C ASP A 32 41.710 32.630 9.987 1.00 50.51 C ATOM 508 O ASP A 32 42.496 33.361 9.341 1.00 49.49 O ATOM 509 CB ASP A 32 41.752 30.199 9.372 1.00 49.72 C ATOM 510 CG ASP A 32 42.303 28.808 9.654 1.00 50.62 C ATOM 511 OD1 ASP A 32 42.938 28.636 10.667 1.00 49.24 O ATOM 512 OD2 ASP A 32 41.954 27.897 8.940 1.00 49.24 O ATOM 0 H ASP A 32 40.723 30.129 11.672 1.00 49.53 H new ATOM 0 HA ASP A 32 43.134 31.150 10.657 1.00 50.07 H new ATOM 0 HB2 ASP A 32 40.670 30.131 9.255 1.00 49.72 H new ATOM 0 HB3 ASP A 32 42.154 30.550 8.422 1.00 49.72 H new ATOM 517 N LYS A 33 40.473 33.079 10.273 1.00 49.53 N ATOM 518 CA LYS A 33 40.108 34.412 9.721 1.00 50.07 C ATOM 519 C LYS A 33 40.534 35.543 10.588 1.00 50.51 C ATOM 520 O LYS A 33 41.215 36.472 10.031 1.00 49.49 O ATOM 521 CB LYS A 33 38.600 34.488 9.477 1.00 49.82 C ATOM 522 CG LYS A 33 38.061 33.419 8.535 1.00 49.82 C ATOM 523 CD LYS A 33 38.823 33.407 7.219 1.00 49.82 C ATOM 524 CE LYS A 33 38.407 34.566 6.326 1.00 50.21 C ATOM 525 NZ LYS A 33 39.100 34.531 5.009 1.00 49.70 N ATOM 0 H LYS A 33 39.764 32.599 10.828 1.00 49.53 H new ATOM 0 HA LYS A 33 40.647 34.514 8.779 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.085 34.405 10.434 1.00 49.82 H new ATOM 0 HB3 LYS A 33 38.359 35.470 9.069 1.00 49.82 H new ATOM 0 HG2 LYS A 33 38.136 32.441 9.010 1.00 49.82 H new ATOM 0 HG3 LYS A 33 37.003 33.600 8.344 1.00 49.82 H new ATOM 0 HD2 LYS A 33 39.894 33.464 7.416 1.00 49.82 H new ATOM 0 HD3 LYS A 33 38.644 32.465 6.702 1.00 49.82 H new ATOM 0 HE2 LYS A 33 37.329 34.534 6.169 1.00 50.21 H new ATOM 0 HE3 LYS A 33 38.629 35.508 6.828 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 38.788 35.338 4.431 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 40.128 34.587 5.156 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 38.868 33.644 4.518 1.00 49.70 H new ATOM 539 N GLU A 34 40.355 35.557 11.880 1.00 49.53 N ATOM 540 CA GLU A 34 40.751 36.627 12.766 1.00 50.07 C ATOM 541 C GLU A 34 41.790 36.187 13.767 1.00 50.51 C ATOM 542 O GLU A 34 42.599 37.010 14.208 1.00 49.49 O ATOM 543 CB GLU A 34 39.530 37.192 13.496 1.00 49.82 C ATOM 544 CG GLU A 34 39.492 38.712 13.576 1.00 49.72 C ATOM 545 CD GLU A 34 40.481 39.231 14.582 1.00 50.62 C ATOM 546 OE1 GLU A 34 40.371 38.877 15.732 1.00 49.24 O ATOM 547 OE2 GLU A 34 41.412 39.890 14.185 1.00 49.24 O ATOM 0 H GLU A 34 39.906 34.785 12.373 1.00 49.53 H new ATOM 0 HA GLU A 34 41.200 37.405 12.148 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.628 36.844 12.993 1.00 49.82 H new ATOM 0 HB3 GLU A 34 39.507 36.786 14.507 1.00 49.82 H new ATOM 0 HG2 GLU A 34 39.711 39.135 12.596 1.00 49.72 H new ATOM 0 HG3 GLU A 34 38.488 39.039 13.848 1.00 49.72 H new ATOM 554 N GLY A 35 41.692 34.961 14.253 1.00 49.53 N ATOM 555 CA GLY A 35 42.662 34.401 15.158 1.00 49.98 C ATOM 556 C GLY A 35 42.070 34.210 16.498 1.00 50.51 C ATOM 557 O GLY A 35 42.804 34.244 17.521 1.00 49.49 O ATOM 0 H GLY A 35 40.927 34.326 14.024 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.019 33.446 14.772 1.00 49.98 H new ATOM 0 HA3 GLY A 35 43.527 35.061 15.227 1.00 49.98 H new ATOM 561 N ILE A 36 40.757 33.932 16.572 1.00 49.53 N ATOM 562 CA ILE A 36 40.149 33.731 17.897 1.00 50.07 C ATOM 563 C ILE A 36 40.437 32.282 18.254 1.00 50.51 C ATOM 564 O ILE A 36 40.050 31.357 17.517 1.00 49.49 O ATOM 565 CB ILE A 36 38.630 33.983 17.889 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.331 35.432 17.500 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.030 33.659 19.249 1.00 49.73 C ATOM 568 CD1 ILE A 36 36.903 35.663 17.058 1.00 49.73 C ATOM 0 H ILE A 36 40.125 33.845 15.776 1.00 49.53 H new ATOM 0 HA ILE A 36 40.563 34.435 18.620 1.00 50.07 H new ATOM 0 HB ILE A 36 38.174 33.327 17.148 1.00 49.91 H new ATOM 0 HG12 ILE A 36 38.547 36.079 18.350 1.00 49.82 H new ATOM 0 HG13 ILE A 36 39.003 35.728 16.695 1.00 49.82 H new ATOM 0 HG21 ILE A 36 36.956 33.843 19.226 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.214 32.611 19.488 1.00 49.73 H new ATOM 0 HG23 ILE A 36 38.490 34.290 20.009 1.00 49.73 H new ATOM 0 HD11 ILE A 36 36.768 36.713 16.799 1.00 49.73 H new ATOM 0 HD12 ILE A 36 36.687 35.043 16.188 1.00 49.73 H new ATOM 0 HD13 ILE A 36 36.224 35.399 17.869 1.00 49.73 H new ATOM 580 N PRO A 37 41.093 32.059 19.386 1.00 49.71 N ATOM 581 CA PRO A 37 41.413 30.709 19.881 1.00 50.02 C ATOM 582 C PRO A 37 40.152 29.878 20.037 1.00 50.51 C ATOM 583 O PRO A 37 39.156 30.406 20.596 1.00 49.49 O ATOM 584 CB PRO A 37 42.000 31.050 21.284 1.00 49.82 C ATOM 585 CG PRO A 37 42.644 32.389 21.077 1.00 49.82 C ATOM 586 CD PRO A 37 41.576 33.142 20.295 1.00 50.00 C ATOM 0 HA PRO A 37 42.070 30.134 19.228 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.221 31.092 22.046 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.724 30.302 21.609 1.00 49.82 H new ATOM 0 HG2 PRO A 37 42.878 32.879 22.022 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.577 32.310 20.519 1.00 49.82 H new ATOM 0 HD2 PRO A 37 40.785 33.527 20.938 1.00 50.00 H new ATOM 0 HD3 PRO A 37 41.984 33.992 19.748 1.00 50.00 H new ATOM 594 N PRO A 38 40.163 28.631 19.632 1.00 49.71 N ATOM 595 CA PRO A 38 38.958 27.794 19.750 1.00 50.02 C ATOM 596 C PRO A 38 38.438 27.689 21.159 1.00 50.51 C ATOM 597 O PRO A 38 37.207 27.570 21.409 1.00 49.49 O ATOM 598 CB PRO A 38 39.379 26.470 19.120 1.00 49.82 C ATOM 599 CG PRO A 38 40.441 26.892 18.109 1.00 49.82 C ATOM 600 CD PRO A 38 41.256 27.906 18.940 1.00 50.00 C ATOM 0 HA PRO A 38 38.094 28.220 19.240 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.780 25.780 19.862 1.00 49.82 H new ATOM 0 HB3 PRO A 38 38.540 25.968 18.638 1.00 49.82 H new ATOM 0 HG2 PRO A 38 41.048 26.051 17.774 1.00 49.82 H new ATOM 0 HG3 PRO A 38 40.005 27.345 17.218 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.936 27.418 19.638 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.859 28.564 18.315 1.00 50.00 H new ATOM 608 N ASP A 39 39.305 27.727 22.141 1.00 49.53 N ATOM 609 CA ASP A 39 38.873 27.574 23.557 1.00 50.07 C ATOM 610 C ASP A 39 38.500 28.871 24.261 1.00 50.51 C ATOM 611 O ASP A 39 38.519 28.995 25.517 1.00 49.49 O ATOM 612 CB ASP A 39 39.963 26.856 24.358 1.00 49.72 C ATOM 613 CG ASP A 39 41.341 27.494 24.255 1.00 50.62 C ATOM 614 OD1 ASP A 39 41.421 28.629 23.851 1.00 49.24 O ATOM 615 OD2 ASP A 39 42.284 26.902 24.726 1.00 49.24 O ATOM 0 H ASP A 39 40.308 27.860 22.015 1.00 49.53 H new ATOM 0 HA ASP A 39 37.956 26.986 23.516 1.00 50.07 H new ATOM 0 HB2 ASP A 39 39.667 26.827 25.407 1.00 49.72 H new ATOM 0 HB3 ASP A 39 40.028 25.823 24.016 1.00 49.72 H new ATOM 620 N GLN A 40 38.052 29.853 23.496 1.00 49.53 N ATOM 621 CA GLN A 40 37.642 31.136 24.114 1.00 50.07 C ATOM 622 C GLN A 40 36.344 31.519 23.376 1.00 50.51 C ATOM 623 O GLN A 40 35.893 32.649 23.521 1.00 49.49 O ATOM 624 CB GLN A 40 38.713 32.214 23.931 1.00 49.82 C ATOM 625 CG GLN A 40 40.012 31.933 24.668 1.00 49.82 C ATOM 626 CD GLN A 40 40.966 33.111 24.627 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.659 34.159 24.052 1.00 49.45 O ATOM 628 NE2 GLN A 40 42.136 32.945 25.235 1.00 49.38 N ATOM 0 H GLN A 40 37.959 29.808 22.481 1.00 49.53 H new ATOM 0 HA GLN A 40 37.500 31.044 25.191 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.927 32.320 22.868 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.314 33.169 24.273 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.791 31.684 25.706 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.496 31.062 24.227 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.349 32.062 25.699 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.821 33.701 25.238 1.00 49.38 H new ATOM 637 N GLN A 41 35.754 30.596 22.650 1.00 49.53 N ATOM 638 CA GLN A 41 34.564 30.835 21.870 1.00 50.07 C ATOM 639 C GLN A 41 33.471 30.064 22.579 1.00 50.51 C ATOM 640 O GLN A 41 33.547 28.885 22.889 1.00 49.49 O ATOM 641 CB GLN A 41 34.732 30.342 20.430 1.00 49.82 C ATOM 642 CG GLN A 41 35.500 31.296 19.532 1.00 49.82 C ATOM 643 CD GLN A 41 35.738 30.722 18.148 1.00 50.55 C ATOM 644 OE1 GLN A 41 36.609 29.868 17.956 1.00 49.45 O ATOM 645 NE2 GLN A 41 34.967 31.190 17.174 1.00 49.38 N ATOM 0 H GLN A 41 36.097 29.638 22.585 1.00 49.53 H new ATOM 0 HA GLN A 41 34.337 31.899 21.797 1.00 50.07 H new ATOM 0 HB2 GLN A 41 35.246 29.381 20.444 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.746 30.170 19.999 1.00 49.82 H new ATOM 0 HG2 GLN A 41 34.948 32.232 19.444 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.458 31.533 19.994 1.00 49.82 H new ATOM 0 HE21 GLN A 41 34.259 31.896 17.378 1.00 49.38 H new ATOM 0 HE22 GLN A 41 35.082 30.844 16.221 1.00 49.38 H new ATOM 654 N ARG A 42 32.311 30.712 22.679 1.00 49.53 N ATOM 655 CA ARG A 42 31.082 30.030 23.192 1.00 50.07 C ATOM 656 C ARG A 42 29.877 30.261 22.306 1.00 50.51 C ATOM 657 O ARG A 42 29.418 31.472 22.252 1.00 49.49 O ATOM 658 CB ARG A 42 30.783 30.409 24.635 1.00 49.82 C ATOM 659 CG ARG A 42 29.433 29.940 25.154 1.00 49.82 C ATOM 660 CD ARG A 42 29.166 30.292 26.572 1.00 50.20 C ATOM 661 NE ARG A 42 30.051 29.648 27.529 1.00 49.30 N ATOM 662 CZ ARG A 42 30.089 29.932 28.846 1.00 50.64 C ATOM 663 NH1 ARG A 42 29.324 30.869 29.359 1.00 49.20 N ATOM 664 NH2 ARG A 42 30.936 29.257 29.605 1.00 49.20 N ATOM 0 H ARG A 42 32.178 31.690 22.422 1.00 49.53 H new ATOM 0 HA ARG A 42 31.296 28.961 23.167 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.564 29.996 25.273 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.835 31.494 24.729 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.648 30.370 24.531 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.371 28.857 25.043 1.00 49.82 H new ATOM 0 HD2 ARG A 42 29.251 31.373 26.687 1.00 50.20 H new ATOM 0 HD3 ARG A 42 28.137 30.026 26.812 1.00 50.20 H new ATOM 0 HE ARG A 42 30.687 28.932 27.179 1.00 49.30 H new ATOM 0 HH11 ARG A 42 28.689 31.394 28.758 1.00 49.20 H new ATOM 0 HH12 ARG A 42 29.365 31.071 30.358 1.00 49.20 H new ATOM 0 HH21 ARG A 42 31.537 28.545 29.190 1.00 49.20 H new ATOM 0 HH22 ARG A 42 30.989 29.449 30.605 1.00 49.20 H new ATOM 678 N LEU A 43 29.401 29.256 21.573 1.00 49.53 N ATOM 679 CA LEU A 43 28.256 29.458 20.649 1.00 50.07 C ATOM 680 C LEU A 43 26.863 29.220 21.224 1.00 50.51 C ATOM 681 O LEU A 43 26.670 28.219 21.928 1.00 49.49 O ATOM 682 CB LEU A 43 28.447 28.583 19.404 1.00 49.82 C ATOM 683 CG LEU A 43 29.569 29.028 18.459 1.00 49.91 C ATOM 684 CD1 LEU A 43 29.868 27.929 17.450 1.00 49.73 C ATOM 685 CD2 LEU A 43 29.158 30.312 17.752 1.00 49.73 C ATOM 0 H LEU A 43 29.773 28.306 21.590 1.00 49.53 H new ATOM 0 HA LEU A 43 28.278 30.523 20.418 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.648 27.561 19.725 1.00 49.82 H new ATOM 0 HB3 LEU A 43 27.511 28.563 18.846 1.00 49.82 H new ATOM 0 HG LEU A 43 30.475 29.218 19.034 1.00 49.91 H new ATOM 0 HD11 LEU A 43 30.666 28.255 16.783 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.180 27.027 17.976 1.00 49.73 H new ATOM 0 HD13 LEU A 43 28.972 27.717 16.867 1.00 49.73 H new ATOM 0 HD21 LEU A 43 29.956 30.629 17.080 1.00 49.73 H new ATOM 0 HD22 LEU A 43 28.248 30.136 17.178 1.00 49.73 H new ATOM 0 HD23 LEU A 43 28.975 31.092 18.491 1.00 49.73 H new ATOM 697 N ILE A 44 25.969 30.175 20.991 1.00 49.53 N ATOM 698 CA ILE A 44 24.607 30.132 21.511 1.00 50.07 C ATOM 699 C ILE A 44 23.559 29.829 20.447 1.00 50.51 C ATOM 700 O ILE A 44 23.576 30.350 19.350 1.00 49.49 O ATOM 701 CB ILE A 44 24.236 31.454 22.208 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.172 31.715 23.390 1.00 49.82 C ATOM 703 CG2 ILE A 44 22.786 31.424 22.667 1.00 49.73 C ATOM 704 CD1 ILE A 44 24.865 32.990 24.142 1.00 49.73 C ATOM 0 H ILE A 44 26.170 31.005 20.433 1.00 49.53 H new ATOM 0 HA ILE A 44 24.601 29.311 22.228 1.00 50.07 H new ATOM 0 HB ILE A 44 24.352 32.268 21.493 1.00 49.91 H new ATOM 0 HG12 ILE A 44 25.113 30.874 24.081 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.199 31.757 23.026 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.540 32.366 23.158 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.134 31.283 21.805 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.643 30.602 23.368 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.570 33.106 24.965 1.00 49.73 H new ATOM 0 HD12 ILE A 44 24.953 33.841 23.466 1.00 49.73 H new ATOM 0 HD13 ILE A 44 23.850 32.944 24.538 1.00 49.73 H new ATOM 716 N PHE A 45 22.593 28.955 20.838 1.00 49.53 N ATOM 717 CA PHE A 45 21.476 28.595 19.951 1.00 50.07 C ATOM 718 C PHE A 45 20.174 28.255 20.699 1.00 50.51 C ATOM 719 O PHE A 45 20.093 27.313 21.487 1.00 49.49 O ATOM 720 CB PHE A 45 21.877 27.420 19.056 1.00 49.82 C ATOM 721 CG PHE A 45 20.957 27.207 17.887 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.555 28.277 17.100 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.493 25.940 17.572 1.00 49.88 C ATOM 724 CE1 PHE A 45 19.710 28.083 16.024 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.649 25.743 16.496 1.00 49.88 C ATOM 726 CZ PHE A 45 19.257 26.817 15.722 1.00 49.88 C ATOM 0 H PHE A 45 22.573 28.498 21.750 1.00 49.53 H new ATOM 0 HA PHE A 45 21.267 29.481 19.351 1.00 50.07 H new ATOM 0 HB2 PHE A 45 22.888 27.586 18.685 1.00 49.82 H new ATOM 0 HB3 PHE A 45 21.903 26.511 19.656 1.00 49.82 H new ATOM 0 HD1 PHE A 45 20.906 29.272 17.331 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.795 25.096 18.175 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.404 28.924 15.419 1.00 49.88 H new ATOM 0 HE2 PHE A 45 19.296 24.750 16.261 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.596 26.665 14.881 1.00 49.88 H new ATOM 736 N ALA A 46 19.234 29.145 20.488 1.00 49.53 N ATOM 737 CA ALA A 46 17.870 29.029 21.043 1.00 50.07 C ATOM 738 C ALA A 46 17.849 28.817 22.550 1.00 50.51 C ATOM 739 O ALA A 46 17.161 27.930 23.075 1.00 49.49 O ATOM 740 CB ALA A 46 17.130 27.923 20.358 1.00 49.73 C ATOM 0 H ALA A 46 19.376 29.983 19.925 1.00 49.53 H new ATOM 0 HA ALA A 46 17.375 29.982 20.856 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.125 27.845 20.774 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.065 28.135 19.291 1.00 49.73 H new ATOM 0 HB3 ALA A 46 17.659 26.982 20.510 1.00 49.73 H new ATOM 746 N GLY A 47 18.641 29.609 23.213 1.00 49.53 N ATOM 747 CA GLY A 47 18.863 29.665 24.627 1.00 49.98 C ATOM 748 C GLY A 47 19.784 28.600 25.164 1.00 50.51 C ATOM 749 O GLY A 47 20.171 28.658 26.352 1.00 49.49 O ATOM 0 H GLY A 47 19.205 30.303 22.724 1.00 49.53 H new ATOM 0 HA2 GLY A 47 19.275 30.642 24.878 1.00 49.98 H new ATOM 0 HA3 GLY A 47 17.902 29.585 25.135 1.00 49.98 H new ATOM 753 N LYS A 48 20.192 27.669 24.344 1.00 49.53 N ATOM 754 CA LYS A 48 21.129 26.614 24.749 1.00 50.07 C ATOM 755 C LYS A 48 22.617 26.819 24.410 1.00 50.51 C ATOM 756 O LYS A 48 22.903 27.591 23.506 1.00 49.49 O ATOM 757 CB LYS A 48 20.669 25.274 24.170 1.00 49.82 C ATOM 758 CG LYS A 48 19.438 24.687 24.847 1.00 49.82 C ATOM 759 CD LYS A 48 19.218 23.239 24.434 1.00 49.82 C ATOM 760 CE LYS A 48 20.341 22.342 24.938 1.00 50.21 C ATOM 761 NZ LYS A 48 20.071 20.905 24.662 1.00 49.70 N ATOM 0 H LYS A 48 19.893 27.606 23.371 1.00 49.53 H new ATOM 0 HA LYS A 48 21.095 26.644 25.838 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.458 25.404 23.109 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.487 24.558 24.247 1.00 49.82 H new ATOM 0 HG2 LYS A 48 19.553 24.745 25.929 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.560 25.279 24.587 1.00 49.82 H new ATOM 0 HD2 LYS A 48 18.264 22.887 24.828 1.00 49.82 H new ATOM 0 HD3 LYS A 48 19.158 23.174 23.348 1.00 49.82 H new ATOM 0 HE2 LYS A 48 21.278 22.633 24.463 1.00 50.21 H new ATOM 0 HE3 LYS A 48 20.468 22.488 26.011 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 20.859 20.329 25.021 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 19.190 20.620 25.136 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 19.975 20.761 23.637 1.00 49.70 H new ATOM 775 N GLN A 49 23.497 26.144 25.099 1.00 49.53 N ATOM 776 CA GLN A 49 24.941 26.208 24.737 1.00 50.07 C ATOM 777 C GLN A 49 25.200 24.986 23.860 1.00 50.51 C ATOM 778 O GLN A 49 24.625 23.905 24.151 1.00 49.49 O ATOM 779 CB GLN A 49 25.829 26.179 25.983 1.00 49.82 C ATOM 780 CG GLN A 49 25.510 27.260 27.001 1.00 49.82 C ATOM 781 CD GLN A 49 26.168 27.003 28.343 1.00 50.55 C ATOM 782 OE1 GLN A 49 26.917 25.910 28.435 1.00 49.45 O flip ATOM 783 NE2 GLN A 49 26.007 27.781 29.288 1.00 49.38 N flip ATOM 0 H GLN A 49 23.277 25.550 25.898 1.00 49.53 H new ATOM 0 HA GLN A 49 25.177 27.137 24.217 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.732 25.205 26.462 1.00 49.82 H new ATOM 0 HB3 GLN A 49 26.870 26.281 25.676 1.00 49.82 H new ATOM 0 HG2 GLN A 49 25.839 28.225 26.617 1.00 49.82 H new ATOM 0 HG3 GLN A 49 24.430 27.322 27.135 1.00 49.82 H new ATOM 0 HE21 GLN A 49 25.423 28.609 29.173 1.00 49.38 H new ATOM 0 HE22 GLN A 49 26.458 27.596 30.184 1.00 49.38 H new ATOM 792 N LEU A 50 25.985 25.132 22.820 1.00 49.53 N ATOM 793 CA LEU A 50 26.232 24.044 21.859 1.00 50.07 C ATOM 794 C LEU A 50 27.505 23.273 22.166 1.00 50.51 C ATOM 795 O LEU A 50 28.540 23.904 22.258 1.00 49.49 O ATOM 796 CB LEU A 50 26.287 24.607 20.434 1.00 49.82 C ATOM 797 CG LEU A 50 24.976 24.510 19.642 1.00 49.91 C ATOM 798 CD1 LEU A 50 23.794 24.813 20.552 1.00 49.73 C ATOM 799 CD2 LEU A 50 25.017 25.478 18.470 1.00 49.73 C ATOM 0 H LEU A 50 26.477 25.999 22.602 1.00 49.53 H new ATOM 0 HA LEU A 50 25.403 23.341 21.947 1.00 50.07 H new ATOM 0 HB2 LEU A 50 26.585 25.654 20.485 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.066 24.081 19.882 1.00 49.82 H new ATOM 0 HG LEU A 50 24.858 23.498 19.256 1.00 49.91 H new ATOM 0 HD11 LEU A 50 22.868 24.742 19.981 1.00 49.73 H new ATOM 0 HD12 LEU A 50 23.772 24.094 21.371 1.00 49.73 H new ATOM 0 HD13 LEU A 50 23.895 25.820 20.956 1.00 49.73 H new ATOM 0 HD21 LEU A 50 24.086 25.409 17.908 1.00 49.73 H new ATOM 0 HD22 LEU A 50 25.141 26.495 18.842 1.00 49.73 H new ATOM 0 HD23 LEU A 50 25.854 25.225 17.819 1.00 49.73 H new ATOM 811 N GLU A 51 27.410 21.946 22.257 1.00 49.53 N ATOM 812 CA GLU A 51 28.593 21.130 22.602 1.00 50.07 C ATOM 813 C GLU A 51 29.448 20.770 21.418 1.00 50.51 C ATOM 814 O GLU A 51 28.905 20.451 20.362 1.00 49.49 O ATOM 815 CB GLU A 51 28.158 19.853 23.326 1.00 49.82 C ATOM 816 CG GLU A 51 27.246 20.089 24.522 1.00 49.72 C ATOM 817 CD GLU A 51 27.138 18.858 25.377 1.00 50.62 C ATOM 818 OE1 GLU A 51 27.692 17.851 25.009 1.00 49.24 O ATOM 819 OE2 GLU A 51 26.595 18.952 26.453 1.00 49.24 O ATOM 0 H GLU A 51 26.552 21.416 22.102 1.00 49.53 H new ATOM 0 HA GLU A 51 29.208 21.751 23.254 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.646 19.204 22.616 1.00 49.82 H new ATOM 0 HB3 GLU A 51 29.047 19.319 23.662 1.00 49.82 H new ATOM 0 HG2 GLU A 51 27.631 20.916 25.118 1.00 49.72 H new ATOM 0 HG3 GLU A 51 26.255 20.381 24.174 1.00 49.72 H new ATOM 826 N ASP A 52 30.753 20.802 21.526 1.00 49.53 N ATOM 827 CA ASP A 52 31.712 20.566 20.452 1.00 50.07 C ATOM 828 C ASP A 52 31.516 19.254 19.714 1.00 50.51 C ATOM 829 O ASP A 52 31.574 19.257 18.451 1.00 49.49 O ATOM 830 CB ASP A 52 33.140 20.636 20.999 1.00 49.72 C ATOM 831 CG ASP A 52 33.613 22.040 21.346 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.073 22.978 20.807 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.395 22.175 22.256 1.00 49.24 O ATOM 0 H ASP A 52 31.211 21.005 22.415 1.00 49.53 H new ATOM 0 HA ASP A 52 31.536 21.356 19.722 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.205 20.013 21.891 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.820 20.209 20.262 1.00 49.72 H new ATOM 838 N GLY A 53 31.403 18.157 20.430 1.00 49.53 N ATOM 839 CA GLY A 53 31.268 16.803 19.865 1.00 49.98 C ATOM 840 C GLY A 53 29.963 16.557 19.183 1.00 50.51 C ATOM 841 O GLY A 53 29.719 15.454 18.642 1.00 49.49 O ATOM 0 H GLY A 53 31.401 18.166 21.450 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.076 16.636 19.153 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.392 16.073 20.665 1.00 49.98 H new ATOM 845 N ARG A 54 29.026 17.499 19.217 1.00 49.53 N ATOM 846 CA ARG A 54 27.741 17.360 18.503 1.00 50.07 C ATOM 847 C ARG A 54 27.884 17.954 17.110 1.00 50.51 C ATOM 848 O ARG A 54 28.606 18.955 16.916 1.00 49.49 O ATOM 849 CB ARG A 54 26.579 17.976 19.268 1.00 49.82 C ATOM 850 CG ARG A 54 26.452 17.522 20.714 1.00 49.82 C ATOM 851 CD ARG A 54 26.119 16.084 20.877 1.00 50.20 C ATOM 852 NE ARG A 54 27.248 15.182 20.712 1.00 49.30 N ATOM 853 CZ ARG A 54 28.174 14.935 21.658 1.00 50.64 C ATOM 854 NH1 ARG A 54 28.135 15.547 22.821 1.00 49.20 N ATOM 855 NH2 ARG A 54 29.141 14.079 21.377 1.00 49.20 N ATOM 0 H ARG A 54 29.124 18.374 19.731 1.00 49.53 H new ATOM 0 HA ARG A 54 27.502 16.300 18.419 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.686 19.061 19.251 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.652 17.739 18.745 1.00 49.82 H new ATOM 0 HG2 ARG A 54 27.390 17.726 21.230 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.682 18.119 21.203 1.00 49.82 H new ATOM 0 HD2 ARG A 54 25.691 15.933 21.868 1.00 50.20 H new ATOM 0 HD3 ARG A 54 25.349 15.818 20.153 1.00 50.20 H new ATOM 0 HE ARG A 54 27.345 14.703 19.817 1.00 49.30 H new ATOM 0 HH11 ARG A 54 27.395 16.221 23.018 1.00 49.20 H new ATOM 0 HH12 ARG A 54 28.845 15.348 23.526 1.00 49.20 H new ATOM 0 HH21 ARG A 54 29.171 13.626 20.464 1.00 49.20 H new ATOM 0 HH22 ARG A 54 29.857 13.872 22.073 1.00 49.20 H new ATOM 869 N THR A 55 27.143 17.424 16.168 1.00 49.53 N ATOM 870 CA THR A 55 27.104 17.911 14.771 1.00 50.07 C ATOM 871 C THR A 55 26.124 19.101 14.642 1.00 50.51 C ATOM 872 O THR A 55 25.526 19.521 15.627 1.00 49.49 O ATOM 873 CB THR A 55 26.683 16.798 13.793 1.00 50.14 C ATOM 874 OG1 THR A 55 25.358 16.355 14.112 1.00 49.34 O ATOM 875 CG2 THR A 55 27.641 15.622 13.878 1.00 49.73 C ATOM 0 H THR A 55 26.530 16.625 16.333 1.00 49.53 H new ATOM 0 HA THR A 55 28.112 18.234 14.513 1.00 50.07 H new ATOM 0 HB THR A 55 26.706 17.198 12.779 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.090 15.648 13.488 1.00 49.34 H new ATOM 0 HG21 THR A 55 27.327 14.846 13.180 1.00 49.73 H new ATOM 0 HG22 THR A 55 28.648 15.954 13.623 1.00 49.73 H new ATOM 0 HG23 THR A 55 27.636 15.222 14.892 1.00 49.73 H new ATOM 883 N LEU A 56 25.999 19.604 13.430 1.00 49.53 N ATOM 884 CA LEU A 56 25.063 20.700 13.124 1.00 50.07 C ATOM 885 C LEU A 56 23.690 20.065 12.923 1.00 50.51 C ATOM 886 O LEU A 56 22.719 20.677 13.277 1.00 49.49 O ATOM 887 CB LEU A 56 25.508 21.465 11.872 1.00 49.82 C ATOM 888 CG LEU A 56 26.776 22.312 12.041 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.206 22.883 10.696 1.00 49.73 C ATOM 890 CD2 LEU A 56 26.514 23.427 13.042 1.00 49.73 C ATOM 0 H LEU A 56 26.533 19.276 12.625 1.00 49.53 H new ATOM 0 HA LEU A 56 25.035 21.426 13.937 1.00 50.07 H new ATOM 0 HB2 LEU A 56 25.673 20.748 11.067 1.00 49.82 H new ATOM 0 HB3 LEU A 56 24.694 22.117 11.556 1.00 49.82 H new ATOM 0 HG LEU A 56 27.584 21.685 12.419 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.107 23.483 10.827 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.411 22.067 10.003 1.00 49.73 H new ATOM 0 HD13 LEU A 56 26.409 23.509 10.295 1.00 49.73 H new ATOM 0 HD21 LEU A 56 27.415 24.028 13.161 1.00 49.73 H new ATOM 0 HD22 LEU A 56 25.702 24.058 12.680 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.236 22.995 14.003 1.00 49.73 H new ATOM 902 N SER A 57 23.657 18.799 12.458 1.00 49.53 N ATOM 903 CA SER A 57 22.322 18.185 12.251 1.00 50.07 C ATOM 904 C SER A 57 21.768 17.864 13.622 1.00 50.51 C ATOM 905 O SER A 57 20.532 18.010 13.863 1.00 49.49 O ATOM 906 CB SER A 57 22.429 16.938 11.396 1.00 50.05 C ATOM 907 OG SER A 57 22.868 17.226 10.096 1.00 49.34 O ATOM 0 H SER A 57 24.465 18.218 12.233 1.00 49.53 H new ATOM 0 HA SER A 57 21.658 18.868 11.722 1.00 50.07 H new ATOM 0 HB2 SER A 57 23.119 16.236 11.864 1.00 50.05 H new ATOM 0 HB3 SER A 57 21.457 16.446 11.349 1.00 50.05 H new ATOM 0 HG SER A 57 22.925 16.396 9.579 1.00 49.34 H new ATOM 913 N ASP A 58 22.625 17.434 14.531 1.00 49.53 N ATOM 914 CA ASP A 58 22.188 17.094 15.911 1.00 50.07 C ATOM 915 C ASP A 58 21.281 18.163 16.529 1.00 50.51 C ATOM 916 O ASP A 58 20.691 17.990 17.601 1.00 49.49 O ATOM 917 CB ASP A 58 23.406 16.865 16.809 1.00 49.72 C ATOM 918 CG ASP A 58 23.074 16.317 18.191 1.00 50.62 C ATOM 919 OD1 ASP A 58 22.770 15.152 18.290 1.00 49.24 O ATOM 920 OD2 ASP A 58 23.276 17.021 19.152 1.00 49.24 O ATOM 0 H ASP A 58 23.622 17.306 14.360 1.00 49.53 H new ATOM 0 HA ASP A 58 21.601 16.178 15.838 1.00 50.07 H new ATOM 0 HB2 ASP A 58 24.085 16.173 16.311 1.00 49.72 H new ATOM 0 HB3 ASP A 58 23.940 17.808 16.924 1.00 49.72 H new ATOM 925 N TYR A 59 21.298 19.317 15.928 1.00 49.53 N ATOM 926 CA TYR A 59 20.499 20.469 16.341 1.00 50.07 C ATOM 927 C TYR A 59 19.574 20.983 15.261 1.00 50.51 C ATOM 928 O TYR A 59 18.763 21.880 15.568 1.00 49.49 O ATOM 929 CB TYR A 59 21.414 21.601 16.815 1.00 49.82 C ATOM 930 CG TYR A 59 22.301 21.225 17.981 1.00 50.00 C ATOM 931 CD1 TYR A 59 21.802 21.200 19.274 1.00 49.88 C ATOM 932 CD2 TYR A 59 23.635 20.897 17.785 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.607 20.858 20.344 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.449 20.552 18.846 1.00 49.88 C ATOM 935 CZ TYR A 59 23.931 20.535 20.125 1.00 50.11 C ATOM 936 OH TYR A 59 24.737 20.194 21.187 1.00 49.46 O ATOM 0 H TYR A 59 21.880 19.504 15.112 1.00 49.53 H new ATOM 0 HA TYR A 59 19.866 20.123 17.158 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.041 21.921 15.983 1.00 49.82 H new ATOM 0 HB3 TYR A 59 20.801 22.456 17.099 1.00 49.82 H new ATOM 0 HD1 TYR A 59 20.766 21.452 19.448 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.044 20.912 16.785 1.00 49.88 H new ATOM 0 HE1 TYR A 59 22.203 20.844 21.345 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.485 20.297 18.676 1.00 49.88 H new ATOM 0 HH TYR A 59 24.195 19.773 21.887 1.00 49.46 H new ATOM 946 N ASN A 60 19.607 20.496 14.039 1.00 49.53 N ATOM 947 CA ASN A 60 18.683 21.027 13.015 1.00 50.07 C ATOM 948 C ASN A 60 18.873 22.473 12.576 1.00 50.51 C ATOM 949 O ASN A 60 17.897 23.208 12.329 1.00 49.49 O ATOM 950 CB ASN A 60 17.243 20.832 13.452 1.00 49.82 C ATOM 951 CG ASN A 60 16.805 19.393 13.469 1.00 50.55 C ATOM 952 OD1 ASN A 60 17.485 18.510 12.933 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.634 19.166 14.009 1.00 49.38 N ATOM 0 H ASN A 60 20.235 19.758 13.720 1.00 49.53 H new ATOM 0 HA ASN A 60 18.936 20.439 12.133 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.115 21.253 14.449 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.591 21.393 12.783 1.00 49.82 H new ATOM 0 HD21 ASN A 60 15.242 18.224 14.000 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.114 19.931 14.439 1.00 49.38 H new ATOM 960 N ILE A 61 20.113 22.883 12.396 1.00 49.53 N ATOM 961 CA ILE A 61 20.410 24.253 11.878 1.00 50.07 C ATOM 962 C ILE A 61 20.294 24.277 10.358 1.00 50.51 C ATOM 963 O ILE A 61 20.983 23.406 9.749 1.00 49.49 O ATOM 964 CB ILE A 61 21.818 24.722 12.289 1.00 49.91 C ATOM 965 CG1 ILE A 61 21.923 24.828 13.813 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.145 26.056 11.635 1.00 49.73 C ATOM 967 CD1 ILE A 61 23.345 24.872 14.325 1.00 49.73 C ATOM 0 H ILE A 61 20.938 22.315 12.590 1.00 49.53 H new ATOM 0 HA ILE A 61 19.680 24.934 12.316 1.00 50.07 H new ATOM 0 HB ILE A 61 22.543 23.984 11.946 1.00 49.91 H new ATOM 0 HG12 ILE A 61 21.400 25.726 14.142 1.00 49.82 H new ATOM 0 HG13 ILE A 61 21.411 23.978 14.263 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.143 26.374 11.936 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.110 25.948 10.551 1.00 49.73 H new ATOM 0 HG23 ILE A 61 21.417 26.804 11.949 1.00 49.73 H new ATOM 0 HD11 ILE A 61 23.338 24.947 15.412 1.00 49.73 H new ATOM 0 HD12 ILE A 61 23.867 23.963 14.027 1.00 49.73 H new ATOM 0 HD13 ILE A 61 23.856 25.738 13.905 1.00 49.73 H new ATOM 979 N GLN A 62 19.488 25.140 9.806 1.00 49.53 N ATOM 980 CA GLN A 62 19.237 25.213 8.337 1.00 50.07 C ATOM 981 C GLN A 62 19.753 26.471 7.632 1.00 50.51 C ATOM 982 O GLN A 62 20.247 27.395 8.303 1.00 49.49 O ATOM 983 CB GLN A 62 17.737 25.073 8.060 1.00 49.82 C ATOM 984 CG GLN A 62 16.901 26.236 8.565 1.00 49.82 C ATOM 985 CD GLN A 62 15.425 25.895 8.644 1.00 50.55 C ATOM 986 OE1 GLN A 62 15.007 24.791 8.281 1.00 49.45 O ATOM 987 NE2 GLN A 62 14.624 26.843 9.116 1.00 49.38 N ATOM 0 H GLN A 62 18.966 25.833 10.342 1.00 49.53 H new ATOM 0 HA GLN A 62 19.812 24.386 7.920 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.585 24.970 6.986 1.00 49.82 H new ATOM 0 HB3 GLN A 62 17.378 24.154 8.522 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.256 26.534 9.552 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.039 27.093 7.905 1.00 49.82 H new ATOM 0 HE21 GLN A 62 15.012 27.741 9.405 1.00 49.38 H new ATOM 0 HE22 GLN A 62 13.621 26.673 9.190 1.00 49.38 H new ATOM 996 N LYS A 63 19.758 26.475 6.300 1.00 49.53 N ATOM 997 CA LYS A 63 20.282 27.578 5.526 1.00 50.07 C ATOM 998 C LYS A 63 20.006 28.945 6.147 1.00 50.51 C ATOM 999 O LYS A 63 18.993 29.202 6.777 1.00 49.49 O ATOM 1000 CB LYS A 63 19.718 27.537 4.104 1.00 49.82 C ATOM 1001 CG LYS A 63 20.040 28.766 3.263 1.00 49.82 C ATOM 1002 CD LYS A 63 19.579 28.589 1.826 1.00 49.82 C ATOM 1003 CE LYS A 63 18.095 28.896 1.678 1.00 50.21 C ATOM 1004 NZ LYS A 63 17.647 28.810 0.262 1.00 49.70 N ATOM 0 H LYS A 63 19.396 25.707 5.734 1.00 49.53 H new ATOM 0 HA LYS A 63 21.365 27.452 5.511 1.00 50.07 H new ATOM 0 HB2 LYS A 63 20.106 26.653 3.598 1.00 49.82 H new ATOM 0 HB3 LYS A 63 18.635 27.423 4.159 1.00 49.82 H new ATOM 0 HG2 LYS A 63 19.558 29.642 3.696 1.00 49.82 H new ATOM 0 HG3 LYS A 63 21.114 28.951 3.282 1.00 49.82 H new ATOM 0 HD2 LYS A 63 20.155 29.246 1.174 1.00 49.82 H new ATOM 0 HD3 LYS A 63 19.775 27.567 1.503 1.00 49.82 H new ATOM 0 HE2 LYS A 63 17.518 28.197 2.284 1.00 50.21 H new ATOM 0 HE3 LYS A 63 17.891 29.895 2.063 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 16.631 29.026 0.206 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 18.179 29.494 -0.313 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 17.817 27.849 -0.098 1.00 49.70 H new ATOM 1018 N GLU A 64 20.996 29.821 5.919 1.00 49.53 N ATOM 1019 CA GLU A 64 21.016 31.188 6.370 1.00 50.07 C ATOM 1020 C GLU A 64 20.720 31.402 7.825 1.00 50.51 C ATOM 1021 O GLU A 64 20.247 32.481 8.261 1.00 49.49 O ATOM 1022 CB GLU A 64 20.047 32.024 5.532 1.00 49.82 C ATOM 1023 CG GLU A 64 20.511 32.281 4.104 1.00 49.72 C ATOM 1024 CD GLU A 64 19.407 32.866 3.269 1.00 50.62 C ATOM 1025 OE1 GLU A 64 19.047 33.995 3.501 1.00 49.24 O ATOM 1026 OE2 GLU A 64 18.999 32.228 2.327 1.00 49.24 O ATOM 0 H GLU A 64 21.832 29.569 5.392 1.00 49.53 H new ATOM 0 HA GLU A 64 22.050 31.507 6.237 1.00 50.07 H new ATOM 0 HB2 GLU A 64 19.082 31.518 5.502 1.00 49.82 H new ATOM 0 HB3 GLU A 64 19.890 32.982 6.028 1.00 49.82 H new ATOM 0 HG2 GLU A 64 21.363 32.961 4.113 1.00 49.72 H new ATOM 0 HG3 GLU A 64 20.853 31.348 3.657 1.00 49.72 H new ATOM 1033 N SER A 65 21.171 30.452 8.629 1.00 49.53 N ATOM 1034 CA SER A 65 21.086 30.520 10.093 1.00 50.07 C ATOM 1035 C SER A 65 22.181 31.483 10.608 1.00 50.51 C ATOM 1036 O SER A 65 23.188 31.688 9.938 1.00 49.49 O ATOM 1037 CB SER A 65 21.250 29.140 10.700 1.00 50.05 C ATOM 1038 OG SER A 65 21.360 29.190 12.096 1.00 49.34 O ATOM 0 H SER A 65 21.613 29.599 8.287 1.00 49.53 H new ATOM 0 HA SER A 65 20.106 30.894 10.389 1.00 50.07 H new ATOM 0 HB2 SER A 65 20.397 28.520 10.426 1.00 50.05 H new ATOM 0 HB3 SER A 65 22.138 28.664 10.283 1.00 50.05 H new ATOM 0 HG SER A 65 22.219 28.806 12.370 1.00 49.34 H new ATOM 1044 N THR A 66 21.960 32.072 11.752 1.00 49.53 N ATOM 1045 CA THR A 66 22.949 32.943 12.400 1.00 50.07 C ATOM 1046 C THR A 66 23.282 32.336 13.763 1.00 50.51 C ATOM 1047 O THR A 66 22.339 32.093 14.550 1.00 49.49 O ATOM 1048 CB THR A 66 22.422 34.378 12.586 1.00 50.14 C ATOM 1049 OG1 THR A 66 22.255 34.998 11.304 1.00 49.34 O ATOM 1050 CG2 THR A 66 23.394 35.198 13.420 1.00 49.73 C ATOM 0 H THR A 66 21.091 31.972 12.276 1.00 49.53 H new ATOM 0 HA THR A 66 23.834 33.008 11.767 1.00 50.07 H new ATOM 0 HB THR A 66 21.463 34.334 13.103 1.00 50.14 H new ATOM 0 HG1 THR A 66 21.918 35.910 11.423 1.00 49.34 H new ATOM 0 HG21 THR A 66 23.006 36.209 13.541 1.00 49.73 H new ATOM 0 HG22 THR A 66 23.513 34.735 14.400 1.00 49.73 H new ATOM 0 HG23 THR A 66 24.360 35.238 12.918 1.00 49.73 H new ATOM 1058 N LEU A 67 24.564 32.058 14.024 1.00 49.53 N ATOM 1059 CA LEU A 67 24.962 31.575 15.351 1.00 50.07 C ATOM 1060 C LEU A 67 25.436 32.733 16.255 1.00 50.51 C ATOM 1061 O LEU A 67 26.008 33.658 15.656 1.00 49.49 O ATOM 1062 CB LEU A 67 26.063 30.516 15.220 1.00 49.82 C ATOM 1063 CG LEU A 67 25.662 29.247 14.458 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.861 28.319 14.321 1.00 49.73 C ATOM 1065 CD2 LEU A 67 24.523 28.552 15.191 1.00 49.73 C ATOM 0 H LEU A 67 25.326 32.156 13.353 1.00 49.53 H new ATOM 0 HA LEU A 67 24.087 31.124 15.820 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.920 30.966 14.718 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.392 30.232 16.219 1.00 49.82 H new ATOM 0 HG LEU A 67 25.323 29.516 13.457 1.00 49.91 H new ATOM 0 HD11 LEU A 67 26.566 27.421 13.779 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.655 28.828 13.775 1.00 49.73 H new ATOM 0 HD13 LEU A 67 27.222 28.042 15.312 1.00 49.73 H new ATOM 0 HD21 LEU A 67 24.238 27.650 14.649 1.00 49.73 H new ATOM 0 HD22 LEU A 67 24.847 28.284 16.197 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.667 29.224 15.253 1.00 49.73 H new ATOM 1077 N HIS A 68 25.219 32.636 17.518 1.00 49.53 N ATOM 1078 CA HIS A 68 25.702 33.707 18.424 1.00 50.07 C ATOM 1079 C HIS A 68 27.053 33.290 19.002 1.00 50.51 C ATOM 1080 O HIS A 68 27.150 32.282 19.734 1.00 49.49 O ATOM 1081 CB HIS A 68 24.696 33.971 19.549 1.00 49.92 C ATOM 1082 CG HIS A 68 23.371 34.471 19.066 1.00 50.22 C ATOM 1083 ND1 HIS A 68 23.050 35.813 19.032 1.00 49.30 N ATOM 1084 CD2 HIS A 68 22.285 33.812 18.599 1.00 49.95 C ATOM 1085 CE1 HIS A 68 21.822 35.956 18.563 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.338 34.758 18.293 1.00 49.64 N ATOM 0 H HIS A 68 24.729 31.865 17.972 1.00 49.53 H new ATOM 0 HA HIS A 68 25.812 34.633 17.859 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.544 33.050 20.112 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.120 34.700 20.240 1.00 49.92 H new ATOM 0 HD2 HIS A 68 22.182 32.743 18.488 1.00 49.95 H new ATOM 0 HE1 HIS A 68 21.303 36.893 18.424 1.00 50.25 H new ATOM 0 HE2 HIS A 68 20.409 34.566 17.917 1.00 49.64 H new ATOM 1094 N LEU A 69 28.081 34.076 18.733 1.00 49.53 N ATOM 1095 CA LEU A 69 29.410 33.832 19.285 1.00 50.07 C ATOM 1096 C LEU A 69 29.565 34.732 20.474 1.00 50.51 C ATOM 1097 O LEU A 69 29.593 35.996 20.263 1.00 49.49 O ATOM 1098 CB LEU A 69 30.496 34.108 18.238 1.00 49.82 C ATOM 1099 CG LEU A 69 31.936 34.073 18.766 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.213 32.738 19.443 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.904 34.306 17.616 1.00 49.73 C ATOM 0 H LEU A 69 28.023 34.897 18.130 1.00 49.53 H new ATOM 0 HA LEU A 69 29.519 32.788 19.580 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.401 33.374 17.438 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.312 35.087 17.796 1.00 49.82 H new ATOM 0 HG LEU A 69 32.072 34.863 19.505 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.238 32.724 19.814 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.523 32.603 20.276 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.076 31.930 18.724 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.927 34.281 17.991 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.773 33.525 16.866 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.706 35.279 17.165 1.00 49.73 H new ATOM 1113 N VAL A 70 29.598 34.221 21.662 1.00 49.53 N ATOM 1114 CA VAL A 70 29.859 35.065 22.863 1.00 50.07 C ATOM 1115 C VAL A 70 31.379 34.911 23.021 1.00 50.51 C ATOM 1116 O VAL A 70 31.969 34.012 22.381 1.00 49.49 O ATOM 1117 CB VAL A 70 29.128 34.561 24.121 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.360 35.509 25.289 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.639 34.409 23.849 1.00 49.73 C ATOM 0 H VAL A 70 29.453 33.232 21.863 1.00 49.53 H new ATOM 0 HA VAL A 70 29.508 36.090 22.745 1.00 50.07 H new ATOM 0 HB VAL A 70 29.532 33.583 24.384 1.00 49.91 H new ATOM 0 HG11 VAL A 70 28.836 35.137 26.169 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.427 35.571 25.501 1.00 49.73 H new ATOM 0 HG13 VAL A 70 28.983 36.499 25.034 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.139 34.052 24.749 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.221 35.374 23.561 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.488 33.692 23.042 1.00 49.73 H new ATOM 1129 N LEU A 71 31.995 35.760 23.809 1.00 49.53 N ATOM 1130 CA LEU A 71 33.454 35.663 24.044 1.00 50.07 C ATOM 1131 C LEU A 71 33.695 35.384 25.504 1.00 50.51 C ATOM 1132 O LEU A 71 32.968 35.885 26.386 1.00 49.49 O ATOM 1133 CB LEU A 71 34.156 36.956 23.614 1.00 49.82 C ATOM 1134 CG LEU A 71 34.018 37.312 22.128 1.00 49.91 C ATOM 1135 CD1 LEU A 71 34.861 38.538 21.803 1.00 49.73 C ATOM 1136 CD2 LEU A 71 34.446 36.124 21.280 1.00 49.73 C ATOM 0 H LEU A 71 31.534 36.524 24.302 1.00 49.53 H new ATOM 0 HA LEU A 71 33.867 34.849 23.448 1.00 50.07 H new ATOM 0 HB2 LEU A 71 33.759 37.780 24.207 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.216 36.872 23.854 1.00 49.82 H new ATOM 0 HG LEU A 71 32.977 37.546 21.906 1.00 49.91 H new ATOM 0 HD11 LEU A 71 34.756 38.782 20.746 1.00 49.73 H new ATOM 0 HD12 LEU A 71 34.524 39.382 22.405 1.00 49.73 H new ATOM 0 HD13 LEU A 71 35.908 38.329 22.025 1.00 49.73 H new ATOM 0 HD21 LEU A 71 34.348 36.377 20.224 1.00 49.73 H new ATOM 0 HD22 LEU A 71 35.485 35.876 21.499 1.00 49.73 H new ATOM 0 HD23 LEU A 71 33.812 35.267 21.508 1.00 49.73 H new ATOM 1148 N ARG A 72 34.621 34.552 25.800 1.00 49.53 N ATOM 1149 CA ARG A 72 35.013 34.223 27.188 1.00 50.07 C ATOM 1150 C ARG A 72 36.534 34.326 27.261 1.00 50.51 C ATOM 1151 O ARG A 72 37.129 33.243 26.958 1.00 49.49 O ATOM 1152 CB ARG A 72 34.505 32.862 27.637 1.00 49.82 C ATOM 1153 CG ARG A 72 34.770 32.529 29.097 1.00 49.82 C ATOM 1154 CD ARG A 72 34.449 31.130 29.475 1.00 50.20 C ATOM 1155 NE ARG A 72 35.305 30.128 28.860 1.00 49.30 N ATOM 1156 CZ ARG A 72 34.992 28.823 28.741 1.00 50.64 C ATOM 1157 NH1 ARG A 72 33.865 28.350 29.222 1.00 49.20 N ATOM 1158 NH2 ARG A 72 35.861 28.025 28.145 1.00 49.20 N ATOM 0 H ARG A 72 35.162 34.050 25.095 1.00 49.53 H new ATOM 0 HA ARG A 72 34.551 34.927 27.880 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.431 32.814 27.458 1.00 49.82 H new ATOM 0 HB3 ARG A 72 34.966 32.095 27.015 1.00 49.82 H new ATOM 0 HG2 ARG A 72 35.821 32.720 29.316 1.00 49.82 H new ATOM 0 HG3 ARG A 72 34.187 33.205 29.723 1.00 49.82 H new ATOM 0 HD2 ARG A 72 34.520 31.034 30.559 1.00 50.20 H new ATOM 0 HD3 ARG A 72 33.414 30.922 29.203 1.00 50.20 H new ATOM 0 HE ARG A 72 36.206 30.435 28.493 1.00 49.30 H new ATOM 0 HH11 ARG A 72 33.211 28.974 29.695 1.00 49.20 H new ATOM 0 HH12 ARG A 72 33.644 27.359 29.123 1.00 49.20 H new ATOM 0 HH21 ARG A 72 36.740 28.402 27.790 1.00 49.20 H new ATOM 0 HH22 ARG A 72 35.653 27.032 28.040 1.00 49.20 H new ATOM 1172 N LEU A 73 37.107 35.433 27.602 1.00 49.53 N ATOM 1173 CA LEU A 73 38.587 35.519 27.653 1.00 50.07 C ATOM 1174 C LEU A 73 39.093 35.025 29.002 1.00 50.51 C ATOM 1175 O LEU A 73 38.349 34.993 29.995 1.00 49.49 O ATOM 1176 CB LEU A 73 39.049 36.960 27.400 1.00 49.82 C ATOM 1177 CG LEU A 73 39.442 37.274 25.951 1.00 49.91 C ATOM 1178 CD1 LEU A 73 38.478 36.593 24.989 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.441 38.780 25.738 1.00 49.73 C ATOM 0 H LEU A 73 36.614 36.291 27.850 1.00 49.53 H new ATOM 0 HA LEU A 73 39.002 34.884 26.870 1.00 50.07 H new ATOM 0 HB2 LEU A 73 38.250 37.639 27.698 1.00 49.82 H new ATOM 0 HB3 LEU A 73 39.902 37.170 28.045 1.00 49.82 H new ATOM 0 HG LEU A 73 40.445 36.893 25.756 1.00 49.91 H new ATOM 0 HD11 LEU A 73 38.765 36.822 23.963 1.00 49.73 H new ATOM 0 HD12 LEU A 73 38.511 35.514 25.143 1.00 49.73 H new ATOM 0 HD13 LEU A 73 37.466 36.954 25.171 1.00 49.73 H new ATOM 0 HD21 LEU A 73 39.720 39.002 24.708 1.00 49.73 H new ATOM 0 HD22 LEU A 73 38.445 39.175 25.937 1.00 49.73 H new ATOM 0 HD23 LEU A 73 40.157 39.244 26.416 1.00 49.73 H new ATOM 1191 N ARG A 74 40.352 34.618 28.983 1.00 49.53 N ATOM 1192 CA ARG A 74 41.027 34.095 30.182 1.00 50.07 C ATOM 1193 C ARG A 74 41.670 35.306 30.850 1.00 50.51 C ATOM 1194 O ARG A 74 42.575 35.942 30.280 1.00 49.49 O ATOM 1195 CB ARG A 74 42.033 32.998 29.869 1.00 49.82 C ATOM 1196 CG ARG A 74 41.422 31.657 29.494 1.00 49.82 C ATOM 1197 CD ARG A 74 42.385 30.526 29.486 1.00 50.20 C ATOM 1198 NE ARG A 74 43.398 30.605 28.446 1.00 49.30 N ATOM 1199 CZ ARG A 74 44.461 29.783 28.350 1.00 50.64 C ATOM 1200 NH1 ARG A 74 44.675 28.845 29.244 1.00 49.20 N ATOM 1201 NH2 ARG A 74 45.298 29.959 27.342 1.00 49.20 N ATOM 0 H ARG A 74 40.939 34.636 28.149 1.00 49.53 H new ATOM 0 HA ARG A 74 40.314 33.606 30.847 1.00 50.07 H new ATOM 0 HB2 ARG A 74 42.670 33.332 29.050 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.677 32.857 30.737 1.00 49.82 H new ATOM 0 HG2 ARG A 74 40.618 31.429 30.194 1.00 49.82 H new ATOM 0 HG3 ARG A 74 40.970 31.741 28.506 1.00 49.82 H new ATOM 0 HD2 ARG A 74 42.881 30.480 30.456 1.00 50.20 H new ATOM 0 HD3 ARG A 74 41.831 29.595 29.367 1.00 50.20 H new ATOM 0 HE ARG A 74 43.297 31.334 27.740 1.00 49.30 H new ATOM 0 HH11 ARG A 74 44.031 28.730 30.027 1.00 49.20 H new ATOM 0 HH12 ARG A 74 45.485 28.231 29.156 1.00 49.20 H new ATOM 0 HH21 ARG A 74 45.130 30.702 26.663 1.00 49.20 H new ATOM 0 HH22 ARG A 74 46.112 29.352 27.243 1.00 49.20 H new ATOM 1215 N GLY A 75 41.150 35.630 32.029 1.00 49.53 N ATOM 1216 CA GLY A 75 41.631 36.745 32.834 1.00 49.98 C ATOM 1217 C GLY A 75 40.650 37.898 32.921 1.00 50.51 C ATOM 1218 O GLY A 75 39.850 38.158 32.006 1.00 49.49 O ATOM 0 H GLY A 75 40.376 35.121 32.456 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.850 36.388 33.840 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.569 37.108 32.414 1.00 49.98 H new ATOM 1222 N GLY A 76 40.812 38.653 33.992 1.00 49.53 N ATOM 1223 CA GLY A 76 40.006 39.841 34.307 1.00 49.98 C ATOM 1224 C GLY A 76 39.674 39.977 35.802 1.00 50.51 C ATOM 1225 O GLY A 76 38.564 40.473 36.079 1.00 49.49 O ATOM 0 H GLY A 76 41.526 38.459 34.694 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.542 40.732 33.979 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.077 39.801 33.739 1.00 49.98 H new TER 1229 GLY A 76