USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 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 126:sc= -0.128 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.0231 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.0244 K(o=-0.024,f=-0.95) USER MOD Set 3.1: A 7 THR OG1 : rot 130:sc= -1.66! USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= 1.26 (180deg=1.08) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -138:sc= 0.0628 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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 27 LYS NZ :NH3+ -123:sc= 0.335 (180deg=0.0443) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) 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=-1.1) USER MOD Single : A 41 GLN : amide:sc= -1.98 K(o=-2,f=-6.6!) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.145) USER MOD Single : A 49 GLN : amide:sc= -0.255 K(o=-0.26,f=-4.3!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.473 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 101:sc= 0.226 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.025 X(o=-0.025,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.321 24.790 2.532 1.00 49.53 N ATOM 2 CA MET A 1 26.230 25.746 2.790 1.00 50.07 C ATOM 3 C MET A 1 26.994 26.935 3.419 1.00 50.51 C ATOM 4 O MET A 1 28.091 26.727 3.938 1.00 49.49 O ATOM 5 CB MET A 1 25.191 25.166 3.748 1.00 49.82 C ATOM 6 CG MET A 1 24.386 24.007 3.179 1.00 49.86 C ATOM 7 SD MET A 1 23.045 23.490 4.268 1.00 49.91 S ATOM 8 CE MET A 1 22.438 22.048 3.398 1.00 49.78 C ATOM 0 H1 MET A 1 27.107 24.242 1.674 1.00 49.53 H new ATOM 0 H2 MET A 1 28.212 25.309 2.398 1.00 49.53 H new ATOM 0 H3 MET A 1 27.415 24.144 3.341 1.00 49.53 H new ATOM 0 HA MET A 1 25.657 26.015 1.902 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.697 24.831 4.653 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.504 25.959 4.042 1.00 49.82 H new ATOM 0 HG2 MET A 1 23.973 24.297 2.213 1.00 49.86 H new ATOM 0 HG3 MET A 1 25.050 23.161 3.001 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.604 21.615 3.950 1.00 49.78 H new ATOM 0 HE2 MET A 1 22.103 22.338 2.402 1.00 49.78 H new ATOM 0 HE3 MET A 1 23.237 21.312 3.312 1.00 49.78 H new ATOM 18 N GLN A 2 26.373 28.073 3.335 1.00 49.53 N ATOM 19 CA GLN A 2 26.999 29.288 3.944 1.00 50.07 C ATOM 20 C GLN A 2 26.121 29.642 5.135 1.00 50.51 C ATOM 21 O GLN A 2 24.862 29.543 5.108 1.00 49.49 O ATOM 22 CB GLN A 2 27.052 30.447 2.946 1.00 49.82 C ATOM 23 CG GLN A 2 28.090 30.278 1.849 1.00 49.82 C ATOM 24 CD GLN A 2 28.102 31.442 0.877 1.00 50.55 C ATOM 25 OE1 GLN A 2 27.224 31.561 0.018 1.00 49.45 O ATOM 26 NE2 GLN A 2 29.100 32.309 1.005 1.00 49.38 N ATOM 0 H GLN A 2 25.472 28.221 2.880 1.00 49.53 H new ATOM 0 HA GLN A 2 28.030 29.097 4.241 1.00 50.07 H new ATOM 0 HB2 GLN A 2 26.070 30.561 2.487 1.00 49.82 H new ATOM 0 HB3 GLN A 2 27.260 31.369 3.488 1.00 49.82 H new ATOM 0 HG2 GLN A 2 29.077 30.175 2.300 1.00 49.82 H new ATOM 0 HG3 GLN A 2 27.891 29.355 1.304 1.00 49.82 H new ATOM 0 HE21 GLN A 2 29.805 32.172 1.730 1.00 49.38 H new ATOM 0 HE22 GLN A 2 29.162 33.112 0.379 1.00 49.38 H new ATOM 35 N ILE A 3 26.774 30.005 6.228 1.00 49.53 N ATOM 36 CA ILE A 3 26.050 30.513 7.408 1.00 50.07 C ATOM 37 C ILE A 3 26.664 31.811 8.014 1.00 50.51 C ATOM 38 O ILE A 3 27.847 32.001 7.781 1.00 49.49 O ATOM 39 CB ILE A 3 25.972 29.444 8.513 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.361 28.867 8.796 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.004 28.340 8.118 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.411 27.963 10.007 1.00 49.73 C ATOM 0 H ILE A 3 27.788 29.963 6.334 1.00 49.53 H new ATOM 0 HA ILE A 3 25.053 30.759 7.042 1.00 50.07 H new ATOM 0 HB ILE A 3 25.602 29.914 9.424 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.697 28.308 7.923 1.00 49.82 H new ATOM 0 HG13 ILE A 3 28.063 29.688 8.938 1.00 49.82 H new ATOM 0 HG21 ILE A 3 24.961 27.593 8.911 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.012 28.764 7.965 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.344 27.871 7.195 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.427 27.593 10.143 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.107 28.523 10.892 1.00 49.73 H new ATOM 0 HD13 ILE A 3 26.735 27.121 9.860 1.00 49.73 H new ATOM 54 N PHE A 4 25.805 32.531 8.693 1.00 49.53 N ATOM 55 CA PHE A 4 26.313 33.806 9.328 1.00 50.07 C ATOM 56 C PHE A 4 26.785 33.766 10.753 1.00 50.51 C ATOM 57 O PHE A 4 26.146 33.032 11.521 1.00 49.49 O ATOM 58 CB PHE A 4 25.244 34.892 9.197 1.00 49.82 C ATOM 59 CG PHE A 4 24.944 35.281 7.777 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.839 36.052 7.050 1.00 49.88 C ATOM 61 CD2 PHE A 4 23.768 34.876 7.165 1.00 49.88 C ATOM 62 CE1 PHE A 4 25.565 36.412 5.746 1.00 49.88 C ATOM 63 CE2 PHE A 4 23.492 35.232 5.859 1.00 49.88 C ATOM 64 CZ PHE A 4 24.390 36.001 5.149 1.00 49.88 C ATOM 0 H PHE A 4 24.819 32.314 8.836 1.00 49.53 H new ATOM 0 HA PHE A 4 27.225 34.008 8.767 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.326 34.544 9.670 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.569 35.776 9.745 1.00 49.82 H new ATOM 0 HD1 PHE A 4 26.761 36.375 7.510 1.00 49.88 H new ATOM 0 HD2 PHE A 4 23.059 34.275 7.716 1.00 49.88 H new ATOM 0 HE1 PHE A 4 26.270 37.015 5.193 1.00 49.88 H new ATOM 0 HE2 PHE A 4 22.573 34.908 5.394 1.00 49.88 H new ATOM 0 HZ PHE A 4 24.175 36.281 4.128 1.00 49.88 H new ATOM 74 N VAL A 5 27.810 34.513 11.153 1.00 49.53 N ATOM 75 CA VAL A 5 28.229 34.564 12.538 1.00 50.07 C ATOM 76 C VAL A 5 28.433 36.034 12.979 1.00 50.51 C ATOM 77 O VAL A 5 29.482 36.533 12.553 1.00 49.49 O ATOM 78 CB VAL A 5 29.533 33.778 12.768 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.893 33.761 14.247 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.400 32.358 12.238 1.00 49.73 C ATOM 0 H VAL A 5 28.366 35.094 10.526 1.00 49.53 H new ATOM 0 HA VAL A 5 27.442 34.103 13.135 1.00 50.07 H new ATOM 0 HB VAL A 5 30.335 34.277 12.223 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.817 33.201 14.390 1.00 49.73 H new ATOM 0 HG12 VAL A 5 30.030 34.783 14.600 1.00 49.73 H new ATOM 0 HG13 VAL A 5 29.090 33.287 14.811 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.331 31.817 12.409 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.586 31.851 12.756 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.188 32.387 11.169 1.00 49.73 H new ATOM 90 N LYS A 6 27.501 36.572 13.686 1.00 49.53 N ATOM 91 CA LYS A 6 27.606 38.009 14.116 1.00 50.07 C ATOM 92 C LYS A 6 28.479 38.310 15.304 1.00 50.51 C ATOM 93 O LYS A 6 28.201 37.832 16.429 1.00 49.49 O ATOM 94 CB LYS A 6 26.206 38.568 14.376 1.00 49.82 C ATOM 95 CG LYS A 6 25.337 38.689 13.131 1.00 49.82 C ATOM 96 CD LYS A 6 23.882 38.948 13.496 1.00 49.82 C ATOM 97 CE LYS A 6 23.012 39.065 12.253 1.00 50.21 C ATOM 98 NZ LYS A 6 21.584 39.308 12.594 1.00 49.70 N ATOM 0 H LYS A 6 26.657 36.090 13.996 1.00 49.53 H new ATOM 0 HA LYS A 6 28.109 38.494 13.279 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.700 37.926 15.097 1.00 49.82 H new ATOM 0 HB3 LYS A 6 26.300 39.552 14.836 1.00 49.82 H new ATOM 0 HG2 LYS A 6 25.707 39.500 12.504 1.00 49.82 H new ATOM 0 HG3 LYS A 6 25.410 37.774 12.544 1.00 49.82 H new ATOM 0 HD2 LYS A 6 23.513 38.138 14.126 1.00 49.82 H new ATOM 0 HD3 LYS A 6 23.809 39.865 14.081 1.00 49.82 H new ATOM 0 HE2 LYS A 6 23.379 39.879 11.628 1.00 50.21 H new ATOM 0 HE3 LYS A 6 23.094 38.151 11.665 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 21.026 39.381 11.720 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 21.225 38.519 13.169 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 21.502 40.194 13.133 1.00 49.70 H new ATOM 112 N THR A 7 29.546 39.114 15.100 1.00 49.53 N ATOM 113 CA THR A 7 30.442 39.451 16.217 1.00 50.07 C ATOM 114 C THR A 7 29.842 40.394 17.262 1.00 50.51 C ATOM 115 O THR A 7 28.670 40.747 17.113 1.00 49.49 O ATOM 116 CB THR A 7 31.754 40.070 15.701 1.00 50.14 C ATOM 117 OG1 THR A 7 31.457 41.192 14.860 1.00 49.34 O ATOM 118 CG2 THR A 7 32.553 39.045 14.910 1.00 49.73 C ATOM 0 H THR A 7 29.799 39.527 14.202 1.00 49.53 H new ATOM 0 HA THR A 7 30.622 38.498 16.714 1.00 50.07 H new ATOM 0 HB THR A 7 32.346 40.395 16.556 1.00 50.14 H new ATOM 0 HG1 THR A 7 31.989 41.964 15.145 1.00 49.34 H new ATOM 0 HG21 THR A 7 33.477 39.500 14.553 1.00 49.73 H new ATOM 0 HG22 THR A 7 32.791 38.196 15.551 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.965 38.703 14.058 1.00 49.73 H new ATOM 126 N LEU A 8 30.634 40.852 18.208 1.00 49.53 N ATOM 127 CA LEU A 8 30.116 41.732 19.279 1.00 50.07 C ATOM 128 C LEU A 8 30.514 43.141 18.886 1.00 50.51 C ATOM 129 O LEU A 8 30.369 44.071 19.703 1.00 49.49 O ATOM 130 CB LEU A 8 30.707 41.346 20.641 1.00 49.82 C ATOM 131 CG LEU A 8 29.787 40.506 21.536 1.00 49.91 C ATOM 132 CD1 LEU A 8 29.242 39.317 20.755 1.00 49.73 C ATOM 133 CD2 LEU A 8 30.559 40.038 22.761 1.00 49.73 C ATOM 0 H LEU A 8 31.630 40.643 18.273 1.00 49.53 H new ATOM 0 HA LEU A 8 29.035 41.642 19.382 1.00 50.07 H new ATOM 0 HB2 LEU A 8 31.631 40.792 20.475 1.00 49.82 H new ATOM 0 HB3 LEU A 8 30.974 42.258 21.175 1.00 49.82 H new ATOM 0 HG LEU A 8 28.944 41.114 21.864 1.00 49.91 H new ATOM 0 HD11 LEU A 8 28.590 38.727 21.399 1.00 49.73 H new ATOM 0 HD12 LEU A 8 28.676 39.675 19.895 1.00 49.73 H new ATOM 0 HD13 LEU A 8 30.070 38.697 20.411 1.00 49.73 H new ATOM 0 HD21 LEU A 8 29.905 39.441 23.397 1.00 49.73 H new ATOM 0 HD22 LEU A 8 31.410 39.433 22.446 1.00 49.73 H new ATOM 0 HD23 LEU A 8 30.916 40.904 23.319 1.00 49.73 H new ATOM 145 N THR A 9 30.981 43.336 17.638 1.00 49.53 N ATOM 146 CA THR A 9 31.360 44.748 17.297 1.00 50.07 C ATOM 147 C THR A 9 30.642 45.324 16.114 1.00 50.51 C ATOM 148 O THR A 9 30.873 46.477 15.705 1.00 49.49 O ATOM 149 CB THR A 9 32.875 44.867 17.049 1.00 50.14 C ATOM 150 OG1 THR A 9 33.257 43.992 15.980 1.00 49.34 O ATOM 151 CG2 THR A 9 33.652 44.497 18.304 1.00 49.73 C ATOM 0 H THR A 9 31.102 42.631 16.910 1.00 49.53 H new ATOM 0 HA THR A 9 31.055 45.326 18.170 1.00 50.07 H new ATOM 0 HB THR A 9 33.104 45.899 16.783 1.00 50.14 H new ATOM 0 HG1 THR A 9 34.221 44.070 15.822 1.00 49.34 H new ATOM 0 HG21 THR A 9 34.721 44.587 18.110 1.00 49.73 H new ATOM 0 HG22 THR A 9 33.373 45.169 19.116 1.00 49.73 H new ATOM 0 HG23 THR A 9 33.420 43.470 18.586 1.00 49.73 H new ATOM 159 N GLY A 10 29.826 44.555 15.464 1.00 49.53 N ATOM 160 CA GLY A 10 29.066 44.978 14.309 1.00 49.98 C ATOM 161 C GLY A 10 29.476 44.297 13.038 1.00 50.51 C ATOM 162 O GLY A 10 28.867 44.531 11.970 1.00 49.49 O ATOM 0 H GLY A 10 29.659 43.583 15.724 1.00 49.53 H new ATOM 0 HA2 GLY A 10 28.009 44.785 14.490 1.00 49.98 H new ATOM 0 HA3 GLY A 10 29.177 46.055 14.186 1.00 49.98 H new ATOM 166 N LYS A 11 30.350 43.330 13.153 1.00 49.53 N ATOM 167 CA LYS A 11 30.762 42.508 12.023 1.00 50.07 C ATOM 168 C LYS A 11 30.006 41.186 11.760 1.00 50.51 C ATOM 169 O LYS A 11 29.306 40.756 12.671 1.00 49.49 O ATOM 170 CB LYS A 11 32.256 42.201 12.140 1.00 49.82 C ATOM 171 CG LYS A 11 33.150 43.433 12.182 1.00 49.82 C ATOM 172 CD LYS A 11 34.575 43.099 11.766 1.00 49.82 C ATOM 173 CE LYS A 11 35.309 42.344 12.866 1.00 50.21 C ATOM 174 NZ LYS A 11 36.712 42.028 12.482 1.00 49.70 N ATOM 0 H LYS A 11 30.803 43.082 14.033 1.00 49.53 H new ATOM 0 HA LYS A 11 30.504 43.128 11.164 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.424 41.614 13.043 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.554 41.579 11.296 1.00 49.82 H new ATOM 0 HG2 LYS A 11 32.747 44.200 11.521 1.00 49.82 H new ATOM 0 HG3 LYS A 11 33.151 43.849 13.189 1.00 49.82 H new ATOM 0 HD2 LYS A 11 34.559 42.498 10.857 1.00 49.82 H new ATOM 0 HD3 LYS A 11 35.113 44.018 11.531 1.00 49.82 H new ATOM 0 HE2 LYS A 11 35.308 42.940 13.778 1.00 50.21 H new ATOM 0 HE3 LYS A 11 34.777 41.419 13.089 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 36.943 41.058 12.777 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 36.817 42.110 11.451 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 37.359 42.695 12.950 1.00 49.70 H new ATOM 188 N THR A 12 30.219 40.611 10.591 1.00 49.53 N ATOM 189 CA THR A 12 29.579 39.305 10.342 1.00 50.07 C ATOM 190 C THR A 12 30.712 38.358 9.951 1.00 50.51 C ATOM 191 O THR A 12 31.719 38.881 9.466 1.00 49.49 O ATOM 192 CB THR A 12 28.532 39.370 9.216 1.00 50.14 C ATOM 193 OG1 THR A 12 29.135 39.902 8.029 1.00 49.34 O ATOM 194 CG2 THR A 12 27.362 40.251 9.625 1.00 49.73 C ATOM 0 H THR A 12 30.790 40.986 9.834 1.00 49.53 H new ATOM 0 HA THR A 12 29.042 38.972 11.230 1.00 50.07 H new ATOM 0 HB THR A 12 28.164 38.362 9.024 1.00 50.14 H new ATOM 0 HG1 THR A 12 28.468 39.941 7.312 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.632 40.285 8.816 1.00 49.73 H new ATOM 0 HG22 THR A 12 26.893 39.841 10.520 1.00 49.73 H new ATOM 0 HG23 THR A 12 27.721 41.259 9.832 1.00 49.73 H new ATOM 202 N ILE A 13 30.469 37.057 10.103 1.00 49.53 N ATOM 203 CA ILE A 13 31.586 36.150 9.708 1.00 50.07 C ATOM 204 C ILE A 13 30.943 35.112 8.830 1.00 50.51 C ATOM 205 O ILE A 13 30.079 34.349 9.304 1.00 49.49 O ATOM 206 CB ILE A 13 32.257 35.479 10.921 1.00 49.91 C ATOM 207 CG1 ILE A 13 32.775 36.538 11.898 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.390 34.570 10.467 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.227 35.975 13.226 1.00 49.73 C ATOM 0 H ILE A 13 29.614 36.625 10.455 1.00 49.53 H new ATOM 0 HA ILE A 13 32.379 36.705 9.206 1.00 50.07 H new ATOM 0 HB ILE A 13 31.514 34.870 11.435 1.00 49.91 H new ATOM 0 HG12 ILE A 13 33.608 37.068 11.436 1.00 49.82 H new ATOM 0 HG13 ILE A 13 31.989 37.272 12.074 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.853 34.104 11.337 1.00 49.73 H new ATOM 0 HG22 ILE A 13 32.994 33.797 9.808 1.00 49.73 H new ATOM 0 HG23 ILE A 13 34.135 35.157 9.930 1.00 49.73 H new ATOM 0 HD11 ILE A 13 33.580 36.786 13.864 1.00 49.73 H new ATOM 0 HD12 ILE A 13 32.391 35.470 13.710 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.036 35.263 13.063 1.00 49.73 H new ATOM 221 N THR A 14 31.243 35.114 7.551 1.00 49.53 N ATOM 222 CA THR A 14 30.629 34.051 6.702 1.00 50.07 C ATOM 223 C THR A 14 31.427 32.781 6.562 1.00 50.51 C ATOM 224 O THR A 14 32.490 32.771 5.889 1.00 49.49 O ATOM 225 CB THR A 14 30.327 34.588 5.290 1.00 50.14 C ATOM 226 OG1 THR A 14 29.517 35.766 5.386 1.00 49.34 O ATOM 227 CG2 THR A 14 29.594 33.540 4.467 1.00 49.73 C ATOM 0 H THR A 14 31.859 35.775 7.078 1.00 49.53 H new ATOM 0 HA THR A 14 29.719 33.785 7.240 1.00 50.07 H new ATOM 0 HB THR A 14 31.271 34.827 4.800 1.00 50.14 H new ATOM 0 HG1 THR A 14 29.328 36.107 4.487 1.00 49.34 H new ATOM 0 HG21 THR A 14 29.389 33.936 3.473 1.00 49.73 H new ATOM 0 HG22 THR A 14 30.213 32.647 4.381 1.00 49.73 H new ATOM 0 HG23 THR A 14 28.654 33.285 4.957 1.00 49.73 H new ATOM 235 N LEU A 15 30.965 31.680 7.133 1.00 49.53 N ATOM 236 CA LEU A 15 31.669 30.419 7.063 1.00 50.07 C ATOM 237 C LEU A 15 30.999 29.436 6.097 1.00 50.51 C ATOM 238 O LEU A 15 29.785 29.546 5.992 1.00 49.49 O ATOM 239 CB LEU A 15 31.775 29.797 8.462 1.00 49.82 C ATOM 240 CG LEU A 15 32.439 30.685 9.522 1.00 49.91 C ATOM 241 CD1 LEU A 15 32.534 29.936 10.845 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.820 31.106 9.041 1.00 49.73 C ATOM 0 H LEU A 15 30.091 31.640 7.657 1.00 49.53 H new ATOM 0 HA LEU A 15 32.668 30.623 6.678 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.773 29.538 8.804 1.00 49.82 H new ATOM 0 HB3 LEU A 15 32.337 28.866 8.387 1.00 49.82 H new ATOM 0 HG LEU A 15 31.835 31.579 9.678 1.00 49.91 H new ATOM 0 HD11 LEU A 15 33.007 30.574 11.591 1.00 49.73 H new ATOM 0 HD12 LEU A 15 31.534 29.664 11.182 1.00 49.73 H new ATOM 0 HD13 LEU A 15 33.130 29.033 10.710 1.00 49.73 H new ATOM 0 HD21 LEU A 15 34.291 31.737 9.795 1.00 49.73 H new ATOM 0 HD22 LEU A 15 34.433 30.220 8.875 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.726 31.663 8.109 1.00 49.73 H new ATOM 254 N GLU A 16 31.789 28.516 5.597 1.00 49.53 N ATOM 255 CA GLU A 16 31.152 27.449 4.757 1.00 50.07 C ATOM 256 C GLU A 16 31.202 26.091 5.422 1.00 50.51 C ATOM 257 O GLU A 16 32.295 25.583 5.664 1.00 49.49 O ATOM 258 CB GLU A 16 31.825 27.382 3.384 1.00 49.82 C ATOM 259 CG GLU A 16 31.068 26.558 2.352 1.00 49.72 C ATOM 260 CD GLU A 16 31.922 26.271 1.148 1.00 50.62 C ATOM 261 OE1 GLU A 16 32.948 25.655 1.305 1.00 49.24 O ATOM 262 OE2 GLU A 16 31.495 26.569 0.057 1.00 49.24 O ATOM 0 H GLU A 16 32.799 28.454 5.724 1.00 49.53 H new ATOM 0 HA GLU A 16 30.103 27.718 4.637 1.00 50.07 H new ATOM 0 HB2 GLU A 16 31.947 28.396 3.003 1.00 49.82 H new ATOM 0 HB3 GLU A 16 32.824 26.964 3.503 1.00 49.82 H new ATOM 0 HG2 GLU A 16 30.742 25.620 2.801 1.00 49.72 H new ATOM 0 HG3 GLU A 16 30.170 27.093 2.044 1.00 49.72 H new ATOM 269 N VAL A 17 30.005 25.648 5.778 1.00 49.53 N ATOM 270 CA VAL A 17 29.827 24.379 6.475 1.00 50.07 C ATOM 271 C VAL A 17 29.007 23.345 5.690 1.00 50.51 C ATOM 272 O VAL A 17 28.405 23.644 4.633 1.00 49.49 O ATOM 273 CB VAL A 17 29.163 24.591 7.848 1.00 49.91 C ATOM 274 CG1 VAL A 17 29.973 25.569 8.687 1.00 49.73 C ATOM 275 CG2 VAL A 17 27.736 25.091 7.679 1.00 49.73 C ATOM 0 H VAL A 17 29.137 26.151 5.595 1.00 49.53 H new ATOM 0 HA VAL A 17 30.835 23.980 6.591 1.00 50.07 H new ATOM 0 HB VAL A 17 29.134 23.633 8.367 1.00 49.91 H new ATOM 0 HG11 VAL A 17 29.489 25.707 9.654 1.00 49.73 H new ATOM 0 HG12 VAL A 17 30.978 25.174 8.837 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.033 26.528 8.172 1.00 49.73 H new ATOM 0 HG21 VAL A 17 27.282 25.235 8.660 1.00 49.73 H new ATOM 0 HG22 VAL A 17 27.744 26.038 7.140 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.158 24.358 7.116 1.00 49.73 H new ATOM 285 N GLU A 18 29.054 22.152 6.242 1.00 49.53 N ATOM 286 CA GLU A 18 28.273 21.008 5.767 1.00 50.07 C ATOM 287 C GLU A 18 27.494 20.440 6.944 1.00 50.51 C ATOM 288 O GLU A 18 27.848 20.641 8.094 1.00 49.49 O ATOM 289 CB GLU A 18 29.185 19.940 5.156 1.00 49.82 C ATOM 290 CG GLU A 18 30.077 20.443 4.031 1.00 49.72 C ATOM 291 CD GLU A 18 30.913 19.333 3.459 1.00 50.62 C ATOM 292 OE1 GLU A 18 30.815 18.231 3.943 1.00 49.24 O ATOM 293 OE2 GLU A 18 31.567 19.559 2.467 1.00 49.24 O ATOM 0 H GLU A 18 29.642 21.936 7.047 1.00 49.53 H new ATOM 0 HA GLU A 18 27.584 21.331 4.986 1.00 50.07 H new ATOM 0 HB2 GLU A 18 29.814 19.523 5.943 1.00 49.82 H new ATOM 0 HB3 GLU A 18 28.567 19.126 4.777 1.00 49.82 H new ATOM 0 HG2 GLU A 18 29.462 20.880 3.244 1.00 49.72 H new ATOM 0 HG3 GLU A 18 30.726 21.234 4.405 1.00 49.72 H new ATOM 300 N PRO A 19 26.427 19.717 6.660 1.00 49.71 N ATOM 301 CA PRO A 19 25.616 19.071 7.693 1.00 50.02 C ATOM 302 C PRO A 19 26.444 18.181 8.586 1.00 50.51 C ATOM 303 O PRO A 19 26.066 17.871 9.725 1.00 49.49 O ATOM 304 CB PRO A 19 24.587 18.248 6.887 1.00 49.82 C ATOM 305 CG PRO A 19 24.447 19.036 5.626 1.00 49.82 C ATOM 306 CD PRO A 19 25.908 19.438 5.298 1.00 50.00 C ATOM 0 HA PRO A 19 25.153 19.793 8.366 1.00 50.02 H new ATOM 0 HB2 PRO A 19 24.941 17.235 6.694 1.00 49.82 H new ATOM 0 HB3 PRO A 19 23.638 18.158 7.415 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.003 18.442 4.827 1.00 49.82 H new ATOM 0 HG3 PRO A 19 23.810 19.910 5.765 1.00 49.82 H new ATOM 0 HD2 PRO A 19 26.456 18.637 4.802 1.00 50.00 H new ATOM 0 HD3 PRO A 19 25.961 20.311 4.648 1.00 50.00 H new ATOM 314 N SER A 20 27.569 17.704 8.081 1.00 49.53 N ATOM 315 CA SER A 20 28.409 16.785 8.865 1.00 50.07 C ATOM 316 C SER A 20 29.424 17.422 9.786 1.00 50.51 C ATOM 317 O SER A 20 29.997 16.698 10.618 1.00 49.49 O ATOM 318 CB SER A 20 29.117 15.829 7.926 1.00 50.05 C ATOM 319 OG SER A 20 30.189 16.440 7.263 1.00 49.34 O ATOM 0 H SER A 20 27.926 17.926 7.151 1.00 49.53 H new ATOM 0 HA SER A 20 27.713 16.276 9.531 1.00 50.07 H new ATOM 0 HB2 SER A 20 29.482 14.971 8.490 1.00 50.05 H new ATOM 0 HB3 SER A 20 28.406 15.449 7.192 1.00 50.05 H new ATOM 0 HG SER A 20 30.620 15.790 6.669 1.00 49.34 H new ATOM 325 N ASP A 21 29.738 18.698 9.544 1.00 49.53 N ATOM 326 CA ASP A 21 30.752 19.331 10.428 1.00 50.07 C ATOM 327 C ASP A 21 30.310 19.611 11.842 1.00 50.51 C ATOM 328 O ASP A 21 29.232 20.195 12.070 1.00 49.49 O ATOM 329 CB ASP A 21 31.253 20.630 9.792 1.00 49.72 C ATOM 330 CG ASP A 21 32.143 20.430 8.572 1.00 50.62 C ATOM 331 OD1 ASP A 21 32.872 19.467 8.544 1.00 49.24 O ATOM 332 OD2 ASP A 21 31.975 21.150 7.616 1.00 49.24 O ATOM 0 H ASP A 21 29.347 19.285 8.807 1.00 49.53 H new ATOM 0 HA ASP A 21 31.544 18.587 10.516 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.393 21.235 9.504 1.00 49.72 H new ATOM 0 HB3 ASP A 21 31.806 21.198 10.541 1.00 49.72 H new ATOM 337 N THR A 22 31.175 19.293 12.789 1.00 49.53 N ATOM 338 CA THR A 22 30.936 19.584 14.183 1.00 50.07 C ATOM 339 C THR A 22 31.196 21.044 14.624 1.00 50.51 C ATOM 340 O THR A 22 31.791 21.814 13.865 1.00 49.49 O ATOM 341 CB THR A 22 31.772 18.656 15.085 1.00 50.14 C ATOM 342 OG1 THR A 22 33.167 18.874 14.838 1.00 49.34 O ATOM 343 CG2 THR A 22 31.434 17.199 14.808 1.00 49.73 C ATOM 0 H THR A 22 32.063 18.825 12.608 1.00 49.53 H new ATOM 0 HA THR A 22 29.866 19.413 14.299 1.00 50.07 H new ATOM 0 HB THR A 22 31.541 18.881 16.126 1.00 50.14 H new ATOM 0 HG1 THR A 22 33.697 18.284 15.414 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.034 16.557 15.454 1.00 49.73 H new ATOM 0 HG22 THR A 22 30.376 17.027 15.007 1.00 49.73 H new ATOM 0 HG23 THR A 22 31.650 16.967 13.765 1.00 49.73 H new ATOM 351 N ILE A 23 30.731 21.313 15.844 1.00 49.53 N ATOM 352 CA ILE A 23 30.964 22.615 16.465 1.00 50.07 C ATOM 353 C ILE A 23 32.468 22.824 16.655 1.00 50.51 C ATOM 354 O ILE A 23 33.013 23.924 16.458 1.00 49.49 O ATOM 355 CB ILE A 23 30.253 22.735 17.825 1.00 49.91 C ATOM 356 CG1 ILE A 23 28.751 22.491 17.667 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.512 24.102 18.440 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.108 23.323 16.580 1.00 49.73 C ATOM 0 H ILE A 23 30.198 20.656 16.414 1.00 49.53 H new ATOM 0 HA ILE A 23 30.555 23.381 15.806 1.00 50.07 H new ATOM 0 HB ILE A 23 30.655 21.975 18.495 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.585 21.436 17.450 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.256 22.703 18.615 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.003 24.171 19.401 1.00 49.73 H new ATOM 0 HG22 ILE A 23 31.584 24.238 18.587 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.136 24.878 17.773 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.043 23.094 16.529 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.241 24.381 16.805 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.575 23.094 15.622 1.00 49.73 H new ATOM 370 N GLU A 24 33.155 21.781 17.057 1.00 49.53 N ATOM 371 CA GLU A 24 34.647 21.868 17.207 1.00 50.07 C ATOM 372 C GLU A 24 35.335 22.332 15.948 1.00 50.51 C ATOM 373 O GLU A 24 36.446 22.913 15.991 1.00 49.49 O ATOM 374 CB GLU A 24 35.215 20.515 17.641 1.00 49.82 C ATOM 375 CG GLU A 24 36.666 20.562 18.099 1.00 49.72 C ATOM 376 CD GLU A 24 37.138 19.208 18.555 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.356 18.288 18.530 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.308 19.068 18.821 1.00 49.24 O ATOM 0 H GLU A 24 32.750 20.874 17.288 1.00 49.53 H new ATOM 0 HA GLU A 24 34.843 22.616 17.975 1.00 50.07 H new ATOM 0 HB2 GLU A 24 34.603 20.121 18.452 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.131 19.815 16.809 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.296 20.913 17.282 1.00 49.72 H new ATOM 0 HG3 GLU A 24 36.770 21.279 18.913 1.00 49.72 H new ATOM 385 N ASN A 25 34.728 22.060 14.805 1.00 49.53 N ATOM 386 CA ASN A 25 35.249 22.425 13.482 1.00 50.07 C ATOM 387 C ASN A 25 34.816 23.801 12.979 1.00 50.51 C ATOM 388 O ASN A 25 35.525 24.441 12.175 1.00 49.49 O ATOM 389 CB ASN A 25 34.888 21.372 12.451 1.00 49.82 C ATOM 390 CG ASN A 25 35.669 20.094 12.591 1.00 50.55 C ATOM 391 OD1 ASN A 25 36.832 20.097 13.013 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.067 19.014 12.164 1.00 49.38 N ATOM 0 H ASN A 25 33.836 21.567 14.762 1.00 49.53 H new ATOM 0 HA ASN A 25 36.330 22.477 13.615 1.00 50.07 H new ATOM 0 HB2 ASN A 25 33.824 21.148 12.531 1.00 49.82 H new ATOM 0 HB3 ASN A 25 35.053 21.781 11.454 1.00 49.82 H new ATOM 0 HD21 ASN A 25 35.558 18.120 12.169 1.00 49.38 H new ATOM 0 HD22 ASN A 25 34.106 19.066 11.826 1.00 49.38 H new ATOM 399 N VAL A 26 33.649 24.210 13.457 1.00 49.53 N ATOM 400 CA VAL A 26 33.115 25.517 13.093 1.00 50.07 C ATOM 401 C VAL A 26 33.978 26.565 13.788 1.00 50.51 C ATOM 402 O VAL A 26 34.355 27.582 13.194 1.00 49.49 O ATOM 403 CB VAL A 26 31.645 25.683 13.524 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.225 27.143 13.432 1.00 49.73 C ATOM 405 CG2 VAL A 26 30.737 24.815 12.665 1.00 49.73 C ATOM 0 H VAL A 26 33.061 23.666 14.088 1.00 49.53 H new ATOM 0 HA VAL A 26 33.139 25.629 12.009 1.00 50.07 H new ATOM 0 HB VAL A 26 31.552 25.361 14.561 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.184 27.242 13.740 1.00 49.73 H new ATOM 0 HG12 VAL A 26 31.856 27.745 14.086 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.334 27.489 12.404 1.00 49.73 H new ATOM 0 HG21 VAL A 26 29.703 24.945 12.983 1.00 49.73 H new ATOM 0 HG22 VAL A 26 30.835 25.109 11.620 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.022 23.769 12.776 1.00 49.73 H new ATOM 415 N LYS A 27 34.322 26.293 15.041 1.00 49.53 N ATOM 416 CA LYS A 27 35.149 27.229 15.818 1.00 50.07 C ATOM 417 C LYS A 27 36.538 27.373 15.221 1.00 50.51 C ATOM 418 O LYS A 27 37.182 28.433 15.431 1.00 49.49 O ATOM 419 CB LYS A 27 35.247 26.772 17.274 1.00 49.82 C ATOM 420 CG LYS A 27 33.975 26.981 18.086 1.00 49.82 C ATOM 421 CD LYS A 27 34.252 26.890 19.580 1.00 49.82 C ATOM 422 CE LYS A 27 34.535 25.457 20.004 1.00 50.21 C ATOM 423 NZ LYS A 27 34.693 25.335 21.479 1.00 49.70 N ATOM 0 H LYS A 27 34.050 25.447 15.541 1.00 49.53 H new ATOM 0 HA LYS A 27 34.665 28.205 15.782 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.506 25.713 17.293 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.064 27.309 17.756 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.548 27.956 17.852 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.234 26.232 17.805 1.00 49.82 H new ATOM 0 HD2 LYS A 27 35.104 27.521 19.833 1.00 49.82 H new ATOM 0 HD3 LYS A 27 33.395 27.273 20.135 1.00 49.82 H new ATOM 0 HE2 LYS A 27 33.721 24.813 19.672 1.00 50.21 H new ATOM 0 HE3 LYS A 27 35.441 25.105 19.512 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 35.621 24.919 21.695 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 34.626 26.277 21.914 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 33.943 24.723 21.859 1.00 49.70 H new ATOM 437 N ALA A 28 37.031 26.356 14.546 1.00 49.53 N ATOM 438 CA ALA A 28 38.336 26.420 13.876 1.00 50.07 C ATOM 439 C ALA A 28 38.269 27.238 12.599 1.00 50.51 C ATOM 440 O ALA A 28 39.288 27.899 12.198 1.00 49.49 O ATOM 441 CB ALA A 28 38.854 25.000 13.578 1.00 49.73 C ATOM 0 H ALA A 28 36.551 25.462 14.440 1.00 49.53 H new ATOM 0 HA ALA A 28 39.032 26.918 14.551 1.00 50.07 H new ATOM 0 HB1 ALA A 28 39.822 25.063 13.081 1.00 49.73 H new ATOM 0 HB2 ALA A 28 38.960 24.448 14.512 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.146 24.483 12.930 1.00 49.73 H new ATOM 447 N LYS A 29 37.134 27.282 11.919 1.00 49.53 N ATOM 448 CA LYS A 29 36.979 28.129 10.719 1.00 50.07 C ATOM 449 C LYS A 29 36.983 29.605 11.159 1.00 50.51 C ATOM 450 O LYS A 29 37.482 30.524 10.464 1.00 49.49 O ATOM 451 CB LYS A 29 35.684 27.792 9.977 1.00 49.82 C ATOM 452 CG LYS A 29 35.634 26.380 9.410 1.00 49.82 C ATOM 453 CD LYS A 29 36.883 26.062 8.602 1.00 49.82 C ATOM 454 CE LYS A 29 36.885 26.799 7.271 1.00 50.21 C ATOM 455 NZ LYS A 29 38.123 26.534 6.490 1.00 49.70 N ATOM 0 H LYS A 29 36.302 26.747 12.167 1.00 49.53 H new ATOM 0 HA LYS A 29 37.806 27.945 10.033 1.00 50.07 H new ATOM 0 HB2 LYS A 29 34.844 27.927 10.658 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.551 28.503 9.162 1.00 49.82 H new ATOM 0 HG2 LYS A 29 35.533 25.663 10.224 1.00 49.82 H new ATOM 0 HG3 LYS A 29 34.752 26.271 8.778 1.00 49.82 H new ATOM 0 HD2 LYS A 29 37.769 26.338 9.174 1.00 49.82 H new ATOM 0 HD3 LYS A 29 36.940 24.988 8.425 1.00 49.82 H new ATOM 0 HE2 LYS A 29 36.016 26.496 6.687 1.00 50.21 H new ATOM 0 HE3 LYS A 29 36.791 27.870 7.449 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 38.084 27.055 5.591 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 38.951 26.847 7.036 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 38.200 25.515 6.297 1.00 49.70 H new ATOM 469 N ILE A 30 36.477 29.846 12.370 1.00 49.53 N ATOM 470 CA ILE A 30 36.440 31.228 12.881 1.00 50.07 C ATOM 471 C ILE A 30 37.895 31.677 13.073 1.00 50.51 C ATOM 472 O ILE A 30 38.197 32.884 12.926 1.00 49.49 O ATOM 473 CB ILE A 30 35.680 31.334 14.216 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.177 31.156 13.989 1.00 49.82 C ATOM 475 CG2 ILE A 30 35.967 32.669 14.886 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.385 30.979 15.265 1.00 49.73 C ATOM 0 H ILE A 30 36.099 29.137 12.998 1.00 49.53 H new ATOM 0 HA ILE A 30 35.912 31.863 12.170 1.00 50.07 H new ATOM 0 HB ILE A 30 36.024 30.538 14.876 1.00 49.91 H new ATOM 0 HG12 ILE A 30 33.795 32.024 13.452 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.016 30.289 13.349 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.422 32.728 15.828 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.036 32.757 15.079 1.00 49.73 H new ATOM 0 HG23 ILE A 30 35.649 33.480 14.232 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.329 30.859 15.024 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.740 30.094 15.794 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.515 31.856 15.899 1.00 49.73 H new ATOM 488 N GLN A 31 38.776 30.789 13.458 1.00 49.53 N ATOM 489 CA GLN A 31 40.198 31.225 13.632 1.00 50.07 C ATOM 490 C GLN A 31 40.896 31.874 12.426 1.00 50.51 C ATOM 491 O GLN A 31 41.525 32.957 12.444 1.00 49.49 O ATOM 492 CB GLN A 31 41.042 30.037 14.099 1.00 49.82 C ATOM 493 CG GLN A 31 42.502 30.371 14.353 1.00 49.82 C ATOM 494 CD GLN A 31 43.217 29.287 15.137 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.084 29.195 16.361 1.00 49.45 O ATOM 496 NE2 GLN A 31 43.984 28.459 14.436 1.00 49.38 N ATOM 0 H GLN A 31 38.583 29.807 13.655 1.00 49.53 H new ATOM 0 HA GLN A 31 40.129 32.024 14.370 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.608 29.635 15.015 1.00 49.82 H new ATOM 0 HB3 GLN A 31 40.987 29.249 13.348 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.009 30.520 13.399 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.567 31.312 14.899 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.065 28.571 13.425 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.492 27.711 14.908 1.00 49.38 H new ATOM 505 N ASP A 32 40.842 31.149 11.335 1.00 49.53 N ATOM 506 CA ASP A 32 41.450 31.639 10.076 1.00 50.07 C ATOM 507 C ASP A 32 40.852 32.965 9.658 1.00 50.51 C ATOM 508 O ASP A 32 41.506 33.858 9.070 1.00 49.49 O ATOM 509 CB ASP A 32 41.274 30.608 8.958 1.00 49.72 C ATOM 510 CG ASP A 32 41.999 29.290 9.199 1.00 50.62 C ATOM 511 OD1 ASP A 32 41.484 28.477 9.928 1.00 49.24 O ATOM 512 OD2 ASP A 32 42.976 29.043 8.533 1.00 49.24 O ATOM 0 H ASP A 32 40.398 30.233 11.271 1.00 49.53 H new ATOM 0 HA ASP A 32 42.515 31.787 10.257 1.00 50.07 H new ATOM 0 HB2 ASP A 32 40.211 30.406 8.831 1.00 49.72 H new ATOM 0 HB3 ASP A 32 41.631 31.039 8.023 1.00 49.72 H new ATOM 517 N LYS A 33 39.549 33.168 9.928 1.00 49.53 N ATOM 518 CA LYS A 33 38.957 34.436 9.421 1.00 50.07 C ATOM 519 C LYS A 33 39.144 35.515 10.427 1.00 50.51 C ATOM 520 O LYS A 33 39.297 36.702 9.978 1.00 49.49 O ATOM 521 CB LYS A 33 37.471 34.252 9.107 1.00 49.82 C ATOM 522 CG LYS A 33 37.188 33.373 7.896 1.00 49.82 C ATOM 523 CD LYS A 33 37.492 34.105 6.598 1.00 49.82 C ATOM 524 CE LYS A 33 37.191 33.233 5.387 1.00 50.21 C ATOM 525 NZ LYS A 33 37.538 33.916 4.110 1.00 49.70 N ATOM 0 H LYS A 33 38.929 32.543 10.443 1.00 49.53 H new ATOM 0 HA LYS A 33 39.466 34.716 8.499 1.00 50.07 H new ATOM 0 HB2 LYS A 33 36.979 33.819 9.978 1.00 49.82 H new ATOM 0 HB3 LYS A 33 37.023 35.232 8.942 1.00 49.82 H new ATOM 0 HG2 LYS A 33 37.790 32.466 7.954 1.00 49.82 H new ATOM 0 HG3 LYS A 33 36.143 33.063 7.905 1.00 49.82 H new ATOM 0 HD2 LYS A 33 36.900 35.019 6.547 1.00 49.82 H new ATOM 0 HD3 LYS A 33 38.540 34.403 6.583 1.00 49.82 H new ATOM 0 HE2 LYS A 33 37.750 32.300 5.463 1.00 50.21 H new ATOM 0 HE3 LYS A 33 36.133 32.971 5.383 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 37.318 33.289 3.310 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 36.986 34.793 4.024 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 38.553 34.144 4.103 1.00 49.70 H new ATOM 539 N GLU A 34 39.225 35.286 11.709 1.00 49.53 N ATOM 540 CA GLU A 34 39.409 36.296 12.726 1.00 50.07 C ATOM 541 C GLU A 34 40.720 36.052 13.431 1.00 50.51 C ATOM 542 O GLU A 34 41.688 36.780 13.189 1.00 49.49 O ATOM 543 CB GLU A 34 38.251 36.279 13.727 1.00 49.82 C ATOM 544 CG GLU A 34 36.895 36.619 13.124 1.00 49.72 C ATOM 545 CD GLU A 34 36.844 38.051 12.667 1.00 50.62 C ATOM 546 OE1 GLU A 34 37.254 38.908 13.413 1.00 49.24 O ATOM 547 OE2 GLU A 34 36.502 38.278 11.530 1.00 49.24 O ATOM 0 H GLU A 34 39.162 34.345 12.096 1.00 49.53 H new ATOM 0 HA GLU A 34 39.426 37.279 12.255 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.195 35.290 14.183 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.467 36.987 14.527 1.00 49.82 H new ATOM 0 HG2 GLU A 34 36.694 35.958 12.281 1.00 49.72 H new ATOM 0 HG3 GLU A 34 36.112 36.442 13.861 1.00 49.72 H new ATOM 554 N GLY A 35 40.763 35.079 14.327 1.00 49.53 N ATOM 555 CA GLY A 35 41.971 34.703 15.011 1.00 49.98 C ATOM 556 C GLY A 35 41.655 34.483 16.438 1.00 50.51 C ATOM 557 O GLY A 35 42.550 34.634 17.311 1.00 49.49 O ATOM 0 H GLY A 35 39.948 34.528 14.596 1.00 49.53 H new ATOM 0 HA2 GLY A 35 42.388 33.797 14.572 1.00 49.98 H new ATOM 0 HA3 GLY A 35 42.724 35.484 14.906 1.00 49.98 H new ATOM 561 N ILE A 36 40.386 34.179 16.762 1.00 49.53 N ATOM 562 CA ILE A 36 40.051 33.950 18.175 1.00 50.07 C ATOM 563 C ILE A 36 40.449 32.561 18.645 1.00 50.51 C ATOM 564 O ILE A 36 40.160 31.556 17.972 1.00 49.49 O ATOM 565 CB ILE A 36 38.547 34.153 18.435 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.109 35.545 17.972 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.230 33.955 19.909 1.00 49.73 C ATOM 568 CD1 ILE A 36 36.615 35.686 17.792 1.00 49.73 C ATOM 0 H ILE A 36 39.613 34.090 16.103 1.00 49.53 H new ATOM 0 HA ILE A 36 40.622 34.685 18.742 1.00 50.07 H new ATOM 0 HB ILE A 36 37.993 33.409 17.863 1.00 49.91 H new ATOM 0 HG12 ILE A 36 38.449 36.283 18.698 1.00 49.82 H new ATOM 0 HG13 ILE A 36 38.603 35.776 17.028 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.163 34.102 20.075 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.508 32.944 20.208 1.00 49.73 H new ATOM 0 HG23 ILE A 36 38.792 34.676 20.502 1.00 49.73 H new ATOM 0 HD11 ILE A 36 36.382 36.699 17.463 1.00 49.73 H new ATOM 0 HD12 ILE A 36 36.270 34.973 17.043 1.00 49.73 H new ATOM 0 HD13 ILE A 36 36.114 35.488 18.740 1.00 49.73 H new ATOM 580 N PRO A 37 41.089 32.477 19.805 1.00 49.71 N ATOM 581 CA PRO A 37 41.505 31.197 20.405 1.00 50.02 C ATOM 582 C PRO A 37 40.315 30.276 20.595 1.00 50.51 C ATOM 583 O PRO A 37 39.262 30.757 21.092 1.00 49.49 O ATOM 584 CB PRO A 37 42.023 31.687 21.792 1.00 49.82 C ATOM 585 CG PRO A 37 42.558 33.058 21.499 1.00 49.82 C ATOM 586 CD PRO A 37 41.454 33.659 20.642 1.00 50.00 C ATOM 0 HA PRO A 37 42.224 30.634 19.810 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.223 31.718 22.532 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.797 31.029 22.187 1.00 49.82 H new ATOM 0 HG2 PRO A 37 42.725 33.633 22.410 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.509 33.019 20.968 1.00 49.82 H new ATOM 0 HD2 PRO A 37 40.616 34.020 21.238 1.00 50.00 H new ATOM 0 HD3 PRO A 37 41.805 34.499 20.043 1.00 50.00 H new ATOM 594 N PRO A 38 40.440 29.010 20.284 1.00 49.71 N ATOM 595 CA PRO A 38 39.305 28.084 20.438 1.00 50.02 C ATOM 596 C PRO A 38 38.757 28.036 21.839 1.00 50.51 C ATOM 597 O PRO A 38 37.533 27.832 22.070 1.00 49.49 O ATOM 598 CB PRO A 38 39.853 26.757 19.918 1.00 49.82 C ATOM 599 CG PRO A 38 40.904 27.194 18.902 1.00 49.82 C ATOM 600 CD PRO A 38 41.609 28.330 19.672 1.00 50.00 C ATOM 0 HA PRO A 38 38.424 28.398 19.879 1.00 50.02 H new ATOM 0 HB2 PRO A 38 40.289 26.159 20.718 1.00 49.82 H new ATOM 0 HB3 PRO A 38 39.073 26.151 19.457 1.00 49.82 H new ATOM 0 HG2 PRO A 38 41.588 26.386 18.643 1.00 49.82 H new ATOM 0 HG3 PRO A 38 40.457 27.543 17.971 1.00 49.82 H new ATOM 0 HD2 PRO A 38 42.307 27.953 20.419 1.00 50.00 H new ATOM 0 HD3 PRO A 38 42.173 28.989 19.013 1.00 50.00 H new ATOM 608 N ASP A 39 39.589 28.219 22.835 1.00 49.53 N ATOM 609 CA ASP A 39 39.132 28.131 24.248 1.00 50.07 C ATOM 610 C ASP A 39 38.380 29.404 24.614 1.00 50.51 C ATOM 611 O ASP A 39 37.664 29.500 25.649 1.00 49.49 O ATOM 612 CB ASP A 39 40.320 27.922 25.191 1.00 49.72 C ATOM 613 CG ASP A 39 41.393 28.999 25.101 1.00 50.62 C ATOM 614 OD1 ASP A 39 41.044 30.156 25.070 1.00 49.24 O ATOM 615 OD2 ASP A 39 42.548 28.669 25.221 1.00 49.24 O ATOM 0 H ASP A 39 40.581 28.429 22.722 1.00 49.53 H new ATOM 0 HA ASP A 39 38.466 27.274 24.354 1.00 50.07 H new ATOM 0 HB2 ASP A 39 39.951 27.879 26.216 1.00 49.72 H new ATOM 0 HB3 ASP A 39 40.774 26.955 24.974 1.00 49.72 H new ATOM 620 N GLN A 40 38.428 30.394 23.737 1.00 49.53 N ATOM 621 CA GLN A 40 37.697 31.654 24.010 1.00 50.07 C ATOM 622 C GLN A 40 36.378 31.834 23.236 1.00 50.51 C ATOM 623 O GLN A 40 35.888 32.954 23.152 1.00 49.49 O ATOM 624 CB GLN A 40 38.606 32.854 23.728 1.00 49.82 C ATOM 625 CG GLN A 40 39.792 32.971 24.670 1.00 49.82 C ATOM 626 CD GLN A 40 40.549 34.273 24.487 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.183 35.109 23.657 1.00 49.45 O ATOM 628 NE2 GLN A 40 41.613 34.451 25.262 1.00 49.38 N ATOM 0 H GLN A 40 38.941 30.370 22.856 1.00 49.53 H new ATOM 0 HA GLN A 40 37.419 31.593 25.062 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.975 32.784 22.705 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.014 33.767 23.792 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.443 32.898 25.700 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.469 32.133 24.503 1.00 49.82 H new ATOM 0 HE21 GLN A 40 41.879 33.733 25.935 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.164 35.306 25.184 1.00 49.38 H new ATOM 637 N GLN A 41 35.815 30.763 22.722 1.00 49.53 N ATOM 638 CA GLN A 41 34.608 30.797 21.933 1.00 50.07 C ATOM 639 C GLN A 41 33.491 29.867 22.360 1.00 50.51 C ATOM 640 O GLN A 41 33.378 28.709 21.989 1.00 49.49 O ATOM 641 CB GLN A 41 34.944 30.517 20.466 1.00 49.82 C ATOM 642 CG GLN A 41 35.648 31.663 19.759 1.00 49.82 C ATOM 643 CD GLN A 41 36.195 31.258 18.404 1.00 50.55 C ATOM 644 OE1 GLN A 41 35.464 31.222 17.409 1.00 49.45 O ATOM 645 NE2 GLN A 41 37.484 30.946 18.355 1.00 49.38 N ATOM 0 H GLN A 41 36.194 29.824 22.845 1.00 49.53 H new ATOM 0 HA GLN A 41 34.217 31.802 22.092 1.00 50.07 H new ATOM 0 HB2 GLN A 41 35.575 29.630 20.412 1.00 49.82 H new ATOM 0 HB3 GLN A 41 34.023 30.286 19.931 1.00 49.82 H new ATOM 0 HG2 GLN A 41 34.951 32.492 19.633 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.464 32.025 20.384 1.00 49.82 H new ATOM 0 HE21 GLN A 41 38.052 30.989 19.201 1.00 49.38 H new ATOM 0 HE22 GLN A 41 37.907 30.663 17.471 1.00 49.38 H new ATOM 654 N ARG A 42 32.504 30.458 23.029 1.00 49.53 N ATOM 655 CA ARG A 42 31.246 29.722 23.371 1.00 50.07 C ATOM 656 C ARG A 42 30.167 30.082 22.374 1.00 50.51 C ATOM 657 O ARG A 42 30.061 31.334 22.056 1.00 49.49 O ATOM 658 CB ARG A 42 30.797 29.970 24.803 1.00 49.82 C ATOM 659 CG ARG A 42 29.691 29.052 25.296 1.00 49.82 C ATOM 660 CD ARG A 42 29.059 29.482 26.569 1.00 50.20 C ATOM 661 NE ARG A 42 29.948 29.460 27.720 1.00 49.30 N ATOM 662 CZ ARG A 42 29.635 29.946 28.937 1.00 50.64 C ATOM 663 NH1 ARG A 42 28.476 30.525 29.158 1.00 49.20 N ATOM 664 NH2 ARG A 42 30.536 29.847 29.899 1.00 49.20 N ATOM 0 H ARG A 42 32.529 31.426 23.349 1.00 49.53 H new ATOM 0 HA ARG A 42 31.448 28.653 23.307 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.659 29.863 25.462 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.457 31.002 24.888 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.921 28.985 24.527 1.00 49.82 H new ATOM 0 HG3 ARG A 42 30.099 28.050 25.427 1.00 49.82 H new ATOM 0 HD2 ARG A 42 28.671 30.493 26.444 1.00 50.20 H new ATOM 0 HD3 ARG A 42 28.205 28.836 26.773 1.00 50.20 H new ATOM 0 HE ARG A 42 30.873 29.048 27.597 1.00 49.30 H new ATOM 0 HH11 ARG A 42 27.797 30.612 28.402 1.00 49.20 H new ATOM 0 HH12 ARG A 42 28.256 30.887 30.086 1.00 49.20 H new ATOM 0 HH21 ARG A 42 31.439 29.412 29.709 1.00 49.20 H new ATOM 0 HH22 ARG A 42 30.328 30.206 30.831 1.00 49.20 H new ATOM 678 N LEU A 43 29.442 29.114 21.814 1.00 49.53 N ATOM 679 CA LEU A 43 28.412 29.424 20.790 1.00 50.07 C ATOM 680 C LEU A 43 27.088 29.296 21.537 1.00 50.51 C ATOM 681 O LEU A 43 27.052 28.633 22.582 1.00 49.49 O ATOM 682 CB LEU A 43 28.491 28.446 19.611 1.00 49.82 C ATOM 683 CG LEU A 43 29.554 28.781 18.557 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.758 29.436 19.218 1.00 49.73 C ATOM 685 CD2 LEU A 43 29.963 27.511 17.826 1.00 49.73 C ATOM 0 H LEU A 43 29.536 28.123 22.038 1.00 49.53 H new ATOM 0 HA LEU A 43 28.543 30.414 20.353 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.690 27.447 20.000 1.00 49.82 H new ATOM 0 HB3 LEU A 43 27.517 28.410 19.123 1.00 49.82 H new ATOM 0 HG LEU A 43 29.140 29.484 17.834 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.506 29.670 18.461 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.445 30.354 19.715 1.00 49.73 H new ATOM 0 HD13 LEU A 43 31.186 28.754 19.953 1.00 49.73 H new ATOM 0 HD21 LEU A 43 30.718 27.749 17.077 1.00 49.73 H new ATOM 0 HD22 LEU A 43 30.373 26.796 18.540 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.091 27.076 17.337 1.00 49.73 H new ATOM 697 N ILE A 44 26.074 29.998 21.041 1.00 49.53 N ATOM 698 CA ILE A 44 24.754 30.032 21.660 1.00 50.07 C ATOM 699 C ILE A 44 23.690 29.489 20.713 1.00 50.51 C ATOM 700 O ILE A 44 23.697 29.727 19.522 1.00 49.49 O ATOM 701 CB ILE A 44 24.368 31.458 22.090 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.295 31.949 23.205 1.00 49.82 C ATOM 703 CG2 ILE A 44 22.916 31.502 22.542 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.199 31.140 24.479 1.00 49.73 C ATOM 0 H ILE A 44 26.146 30.562 20.194 1.00 49.53 H new ATOM 0 HA ILE A 44 24.805 29.399 22.546 1.00 50.07 H new ATOM 0 HB ILE A 44 24.481 32.121 21.233 1.00 49.91 H new ATOM 0 HG12 ILE A 44 26.324 31.924 22.847 1.00 49.82 H new ATOM 0 HG13 ILE A 44 25.060 32.990 23.428 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.659 32.518 22.843 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.270 31.192 21.721 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.777 30.827 23.387 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.885 31.548 25.222 1.00 49.73 H new ATOM 0 HD12 ILE A 44 24.180 31.185 24.863 1.00 49.73 H new ATOM 0 HD13 ILE A 44 25.463 30.103 24.272 1.00 49.73 H new ATOM 716 N PHE A 45 22.723 28.747 21.316 1.00 49.53 N ATOM 717 CA PHE A 45 21.592 28.192 20.555 1.00 50.07 C ATOM 718 C PHE A 45 20.263 28.215 21.333 1.00 50.51 C ATOM 719 O PHE A 45 19.949 27.328 22.127 1.00 49.49 O ATOM 720 CB PHE A 45 21.906 26.761 20.114 1.00 49.82 C ATOM 721 CG PHE A 45 20.987 26.239 19.048 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.680 27.013 17.938 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.426 24.976 19.152 1.00 49.88 C ATOM 724 CE1 PHE A 45 19.834 26.533 16.956 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.581 24.494 18.171 1.00 49.88 C ATOM 726 CZ PHE A 45 19.284 25.275 17.072 1.00 49.88 C ATOM 0 H PHE A 45 22.711 28.527 22.312 1.00 49.53 H new ATOM 0 HA PHE A 45 21.461 28.836 19.685 1.00 50.07 H new ATOM 0 HB2 PHE A 45 22.932 26.721 19.748 1.00 49.82 H new ATOM 0 HB3 PHE A 45 21.851 26.103 20.982 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.106 28.000 17.840 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.652 24.361 20.010 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.604 27.145 16.096 1.00 49.88 H new ATOM 0 HE2 PHE A 45 19.153 23.507 18.264 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.622 24.901 16.305 1.00 49.88 H new ATOM 736 N ALA A 46 19.581 29.313 21.117 1.00 49.53 N ATOM 737 CA ALA A 46 18.245 29.564 21.696 1.00 50.07 C ATOM 738 C ALA A 46 18.440 29.383 23.194 1.00 50.51 C ATOM 739 O ALA A 46 17.677 28.679 23.872 1.00 49.49 O ATOM 740 CB ALA A 46 17.228 28.614 21.151 1.00 49.73 C ATOM 0 H ALA A 46 19.923 30.076 20.532 1.00 49.53 H new ATOM 0 HA ALA A 46 17.867 30.557 21.451 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.256 28.826 21.597 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.164 28.731 20.069 1.00 49.73 H new ATOM 0 HB3 ALA A 46 17.521 27.591 21.388 1.00 49.73 H new ATOM 746 N GLY A 47 19.498 29.971 23.672 1.00 49.53 N ATOM 747 CA GLY A 47 19.971 29.990 25.025 1.00 49.98 C ATOM 748 C GLY A 47 20.698 28.729 25.413 1.00 50.51 C ATOM 749 O GLY A 47 21.485 28.744 26.386 1.00 49.49 O ATOM 0 H GLY A 47 20.114 30.504 23.059 1.00 49.53 H new ATOM 0 HA2 GLY A 47 20.637 30.842 25.159 1.00 49.98 H new ATOM 0 HA3 GLY A 47 19.126 30.137 25.697 1.00 49.98 H new ATOM 753 N LYS A 48 20.518 27.665 24.679 1.00 49.53 N ATOM 754 CA LYS A 48 21.215 26.399 24.939 1.00 50.07 C ATOM 755 C LYS A 48 22.678 26.454 24.461 1.00 50.51 C ATOM 756 O LYS A 48 22.909 26.934 23.361 1.00 49.49 O ATOM 757 CB LYS A 48 20.486 25.238 24.263 1.00 49.82 C ATOM 758 CG LYS A 48 20.862 23.861 24.796 1.00 49.82 C ATOM 759 CD LYS A 48 20.163 22.756 24.018 1.00 49.82 C ATOM 760 CE LYS A 48 18.652 22.838 24.175 1.00 50.21 C ATOM 761 NZ LYS A 48 18.223 22.578 25.577 1.00 49.70 N ATOM 0 H LYS A 48 19.887 27.634 23.879 1.00 49.53 H new ATOM 0 HA LYS A 48 21.217 26.239 26.017 1.00 50.07 H new ATOM 0 HB2 LYS A 48 19.412 25.380 24.384 1.00 49.82 H new ATOM 0 HB3 LYS A 48 20.693 25.269 23.193 1.00 49.82 H new ATOM 0 HG2 LYS A 48 21.942 23.726 24.732 1.00 49.82 H new ATOM 0 HG3 LYS A 48 20.594 23.791 25.850 1.00 49.82 H new ATOM 0 HD2 LYS A 48 20.425 22.830 22.963 1.00 49.82 H new ATOM 0 HD3 LYS A 48 20.515 21.785 24.367 1.00 49.82 H new ATOM 0 HE2 LYS A 48 18.308 23.826 23.868 1.00 50.21 H new ATOM 0 HE3 LYS A 48 18.179 22.115 23.511 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 17.190 22.458 25.608 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 18.682 21.713 25.926 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 18.496 23.381 26.178 1.00 49.70 H new ATOM 775 N GLN A 49 23.597 25.971 25.254 1.00 49.53 N ATOM 776 CA GLN A 49 25.012 25.887 24.796 1.00 50.07 C ATOM 777 C GLN A 49 25.214 24.697 23.862 1.00 50.51 C ATOM 778 O GLN A 49 24.820 23.563 24.240 1.00 49.49 O ATOM 779 CB GLN A 49 25.959 25.771 25.994 1.00 49.82 C ATOM 780 CG GLN A 49 27.400 25.470 25.622 1.00 49.82 C ATOM 781 CD GLN A 49 28.324 25.486 26.825 1.00 50.55 C ATOM 782 OE1 GLN A 49 28.643 26.548 27.366 1.00 49.45 O ATOM 783 NE2 GLN A 49 28.762 24.306 27.248 1.00 49.38 N ATOM 0 H GLN A 49 23.427 25.631 26.200 1.00 49.53 H new ATOM 0 HA GLN A 49 25.240 26.802 24.249 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.928 26.703 26.558 1.00 49.82 H new ATOM 0 HB3 GLN A 49 25.595 24.985 26.656 1.00 49.82 H new ATOM 0 HG2 GLN A 49 27.452 24.493 25.141 1.00 49.82 H new ATOM 0 HG3 GLN A 49 27.745 26.203 24.893 1.00 49.82 H new ATOM 0 HE21 GLN A 49 28.472 23.453 26.770 1.00 49.38 H new ATOM 0 HE22 GLN A 49 29.388 24.253 28.051 1.00 49.38 H new ATOM 792 N LEU A 50 25.806 24.912 22.712 1.00 49.53 N ATOM 793 CA LEU A 50 25.973 23.856 21.700 1.00 50.07 C ATOM 794 C LEU A 50 27.154 23.077 22.252 1.00 50.51 C ATOM 795 O LEU A 50 28.019 23.702 22.836 1.00 49.49 O ATOM 796 CB LEU A 50 26.270 24.445 20.315 1.00 49.82 C ATOM 797 CG LEU A 50 25.093 25.168 19.647 1.00 49.91 C ATOM 798 CD1 LEU A 50 25.477 25.596 18.236 1.00 49.73 C ATOM 799 CD2 LEU A 50 23.881 24.250 19.621 1.00 49.73 C ATOM 0 H LEU A 50 26.190 25.816 22.436 1.00 49.53 H new ATOM 0 HA LEU A 50 25.083 23.246 21.546 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.101 25.144 20.406 1.00 49.82 H new ATOM 0 HB3 LEU A 50 26.601 23.640 19.659 1.00 49.82 H new ATOM 0 HG LEU A 50 24.843 26.062 20.219 1.00 49.91 H new ATOM 0 HD11 LEU A 50 24.636 26.108 17.770 1.00 49.73 H new ATOM 0 HD12 LEU A 50 26.333 26.270 18.280 1.00 49.73 H new ATOM 0 HD13 LEU A 50 25.738 24.717 17.647 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.045 24.764 19.146 1.00 49.73 H new ATOM 0 HD22 LEU A 50 24.120 23.348 19.057 1.00 49.73 H new ATOM 0 HD23 LEU A 50 23.608 23.979 20.641 1.00 49.73 H new ATOM 811 N GLU A 51 27.166 21.760 22.055 1.00 49.53 N ATOM 812 CA GLU A 51 28.255 20.926 22.606 1.00 50.07 C ATOM 813 C GLU A 51 29.265 20.679 21.519 1.00 50.51 C ATOM 814 O GLU A 51 28.874 20.341 20.404 1.00 49.49 O ATOM 815 CB GLU A 51 27.710 19.601 23.146 1.00 49.82 C ATOM 816 CG GLU A 51 26.801 19.743 24.358 1.00 49.72 C ATOM 817 CD GLU A 51 26.367 18.400 24.875 1.00 50.62 C ATOM 818 OE1 GLU A 51 27.218 17.587 25.149 1.00 49.24 O ATOM 819 OE2 GLU A 51 25.194 18.224 25.105 1.00 49.24 O ATOM 0 H GLU A 51 26.456 21.248 21.532 1.00 49.53 H new ATOM 0 HA GLU A 51 28.727 21.448 23.438 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.160 19.098 22.351 1.00 49.82 H new ATOM 0 HB3 GLU A 51 28.549 18.957 23.410 1.00 49.82 H new ATOM 0 HG2 GLU A 51 27.323 20.287 25.145 1.00 49.72 H new ATOM 0 HG3 GLU A 51 25.924 20.333 24.091 1.00 49.72 H new ATOM 826 N ASP A 52 30.543 20.785 21.784 1.00 49.53 N ATOM 827 CA ASP A 52 31.635 20.661 20.823 1.00 50.07 C ATOM 828 C ASP A 52 31.557 19.362 20.041 1.00 50.51 C ATOM 829 O ASP A 52 31.766 19.395 18.795 1.00 49.49 O ATOM 830 CB ASP A 52 32.987 20.762 21.536 1.00 49.72 C ATOM 831 CG ASP A 52 33.427 22.185 21.853 1.00 50.62 C ATOM 832 OD1 ASP A 52 32.709 23.096 21.515 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.390 22.343 22.563 1.00 49.24 O ATOM 0 H ASP A 52 30.879 20.971 22.729 1.00 49.53 H new ATOM 0 HA ASP A 52 31.538 21.483 20.113 1.00 50.07 H new ATOM 0 HB2 ASP A 52 32.937 20.195 22.465 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.748 20.289 20.915 1.00 49.72 H new ATOM 838 N GLY A 53 31.398 18.247 20.718 1.00 49.53 N ATOM 839 CA GLY A 53 31.363 16.903 20.113 1.00 49.98 C ATOM 840 C GLY A 53 30.055 16.558 19.481 1.00 50.51 C ATOM 841 O GLY A 53 29.758 15.367 19.231 1.00 49.49 O ATOM 0 H GLY A 53 31.285 18.232 21.732 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.149 16.833 19.361 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.591 16.164 20.881 1.00 49.98 H new ATOM 845 N ARG A 54 29.214 17.533 19.157 1.00 49.53 N ATOM 846 CA ARG A 54 27.937 17.275 18.460 1.00 50.07 C ATOM 847 C ARG A 54 28.150 17.924 17.100 1.00 50.51 C ATOM 848 O ARG A 54 28.926 18.895 16.974 1.00 49.49 O ATOM 849 CB ARG A 54 26.725 17.822 19.197 1.00 49.82 C ATOM 850 CG ARG A 54 26.522 17.264 20.598 1.00 49.82 C ATOM 851 CD ARG A 54 26.143 15.828 20.634 1.00 50.20 C ATOM 852 NE ARG A 54 26.110 15.248 21.968 1.00 49.30 N ATOM 853 CZ ARG A 54 25.064 15.330 22.812 1.00 50.64 C ATOM 854 NH1 ARG A 54 23.980 15.997 22.484 1.00 49.20 N ATOM 855 NH2 ARG A 54 25.166 14.742 23.991 1.00 49.20 N ATOM 0 H ARG A 54 29.385 18.517 19.362 1.00 49.53 H new ATOM 0 HA ARG A 54 27.708 16.212 18.390 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.817 18.906 19.263 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.833 17.613 18.606 1.00 49.82 H new ATOM 0 HG2 ARG A 54 27.441 17.400 21.167 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.748 17.845 21.099 1.00 49.82 H new ATOM 0 HD2 ARG A 54 25.160 15.713 20.177 1.00 50.20 H new ATOM 0 HD3 ARG A 54 26.847 15.264 20.023 1.00 50.20 H new ATOM 0 HE ARG A 54 26.938 14.744 22.286 1.00 49.30 H new ATOM 0 HH11 ARG A 54 23.922 16.462 21.578 1.00 49.20 H new ATOM 0 HH12 ARG A 54 23.197 16.049 23.135 1.00 49.20 H new ATOM 0 HH21 ARG A 54 26.020 14.244 24.240 1.00 49.20 H new ATOM 0 HH22 ARG A 54 24.390 14.787 24.652 1.00 49.20 H new ATOM 869 N THR A 55 27.413 17.476 16.115 1.00 49.53 N ATOM 870 CA THR A 55 27.438 18.028 14.742 1.00 50.07 C ATOM 871 C THR A 55 26.333 19.077 14.476 1.00 50.51 C ATOM 872 O THR A 55 25.411 19.221 15.272 1.00 49.49 O ATOM 873 CB THR A 55 27.318 16.909 13.690 1.00 50.14 C ATOM 874 OG1 THR A 55 26.069 16.224 13.859 1.00 49.34 O ATOM 875 CG2 THR A 55 28.460 15.915 13.835 1.00 49.73 C ATOM 0 H THR A 55 26.758 16.702 16.225 1.00 49.53 H new ATOM 0 HA THR A 55 28.402 18.530 14.655 1.00 50.07 H new ATOM 0 HB THR A 55 27.364 17.357 12.698 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.583 16.215 13.008 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.358 15.132 13.084 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.411 16.430 13.696 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.431 15.470 14.829 1.00 49.73 H new ATOM 883 N LEU A 56 26.459 19.763 13.358 1.00 49.53 N ATOM 884 CA LEU A 56 25.461 20.757 12.926 1.00 50.07 C ATOM 885 C LEU A 56 24.181 20.040 12.509 1.00 50.51 C ATOM 886 O LEU A 56 23.127 20.565 12.746 1.00 49.49 O ATOM 887 CB LEU A 56 26.011 21.603 11.770 1.00 49.82 C ATOM 888 CG LEU A 56 27.160 22.548 12.142 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.856 23.045 10.882 1.00 49.73 C ATOM 890 CD2 LEU A 56 26.617 23.715 12.954 1.00 49.73 C ATOM 0 H LEU A 56 27.246 19.658 12.718 1.00 49.53 H new ATOM 0 HA LEU A 56 25.239 21.428 13.756 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.354 20.933 10.981 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.196 22.194 11.354 1.00 49.82 H new ATOM 0 HG LEU A 56 27.891 22.011 12.746 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.670 23.715 11.157 1.00 49.73 H new ATOM 0 HD12 LEU A 56 28.256 22.196 10.328 1.00 49.73 H new ATOM 0 HD13 LEU A 56 27.140 23.580 10.258 1.00 49.73 H new ATOM 0 HD21 LEU A 56 27.434 24.386 13.218 1.00 49.73 H new ATOM 0 HD22 LEU A 56 25.879 24.257 12.363 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.148 23.339 13.863 1.00 49.73 H new ATOM 902 N SER A 57 24.310 18.815 11.959 1.00 49.53 N ATOM 903 CA SER A 57 23.065 18.122 11.542 1.00 50.07 C ATOM 904 C SER A 57 22.282 17.596 12.724 1.00 50.51 C ATOM 905 O SER A 57 21.025 17.452 12.645 1.00 49.49 O ATOM 906 CB SER A 57 23.398 16.989 10.589 1.00 50.05 C ATOM 907 OG SER A 57 24.135 15.975 11.215 1.00 49.34 O ATOM 0 H SER A 57 25.185 18.315 11.800 1.00 49.53 H new ATOM 0 HA SER A 57 22.435 18.854 11.036 1.00 50.07 H new ATOM 0 HB2 SER A 57 22.475 16.571 10.187 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.965 17.381 9.745 1.00 50.05 H new ATOM 0 HG SER A 57 24.328 15.264 10.569 1.00 49.34 H new ATOM 913 N ASP A 58 22.970 17.265 13.802 1.00 49.53 N ATOM 914 CA ASP A 58 22.299 16.742 15.022 1.00 50.07 C ATOM 915 C ASP A 58 21.345 17.816 15.556 1.00 50.51 C ATOM 916 O ASP A 58 20.420 17.554 16.332 1.00 49.49 O ATOM 917 CB ASP A 58 23.327 16.359 16.088 1.00 49.72 C ATOM 918 CG ASP A 58 24.103 15.083 15.784 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.713 14.374 14.889 1.00 49.24 O ATOM 920 OD2 ASP A 58 25.161 14.909 16.341 1.00 49.24 O ATOM 0 H ASP A 58 23.984 17.341 13.877 1.00 49.53 H new ATOM 0 HA ASP A 58 21.737 15.843 14.770 1.00 50.07 H new ATOM 0 HB2 ASP A 58 24.034 17.180 16.206 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.815 16.240 17.043 1.00 49.72 H new ATOM 925 N TYR A 59 21.699 19.043 15.306 1.00 49.53 N ATOM 926 CA TYR A 59 20.928 20.219 15.709 1.00 50.07 C ATOM 927 C TYR A 59 19.998 20.696 14.618 1.00 50.51 C ATOM 928 O TYR A 59 19.209 21.623 14.890 1.00 49.49 O ATOM 929 CB TYR A 59 21.869 21.353 16.124 1.00 49.82 C ATOM 930 CG TYR A 59 22.671 21.059 17.371 1.00 50.00 C ATOM 931 CD1 TYR A 59 22.041 20.854 18.590 1.00 49.88 C ATOM 932 CD2 TYR A 59 24.055 20.988 17.328 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.768 20.586 19.733 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.794 20.720 18.465 1.00 49.88 C ATOM 935 CZ TYR A 59 24.145 20.519 19.667 1.00 50.11 C ATOM 936 OH TYR A 59 24.874 20.252 20.802 1.00 49.46 O ATOM 0 H TYR A 59 22.555 19.277 14.802 1.00 49.53 H new ATOM 0 HA TYR A 59 20.313 19.924 16.559 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.555 21.561 15.303 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.283 22.257 16.286 1.00 49.82 H new ATOM 0 HD1 TYR A 59 20.964 20.905 18.646 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.565 21.145 16.389 1.00 49.88 H new ATOM 0 HE1 TYR A 59 22.262 20.430 20.674 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.872 20.668 18.414 1.00 49.88 H new ATOM 0 HH TYR A 59 24.344 19.692 21.407 1.00 49.46 H new ATOM 946 N ASN A 60 20.002 20.148 13.421 1.00 49.53 N ATOM 947 CA ASN A 60 19.073 20.645 12.385 1.00 50.07 C ATOM 948 C ASN A 60 19.163 22.147 12.145 1.00 50.51 C ATOM 949 O ASN A 60 18.138 22.842 12.005 1.00 49.49 O ATOM 950 CB ASN A 60 17.641 20.265 12.711 1.00 49.82 C ATOM 951 CG ASN A 60 17.263 18.884 12.254 1.00 50.55 C ATOM 952 OD1 ASN A 60 18.078 17.955 12.275 1.00 49.45 O ATOM 953 ND2 ASN A 60 16.054 18.761 11.765 1.00 49.38 N ATOM 0 H ASN A 60 20.610 19.382 13.131 1.00 49.53 H new ATOM 0 HA ASN A 60 19.385 20.159 11.461 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.492 20.335 13.789 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.969 20.988 12.249 1.00 49.82 H new ATOM 0 HD21 ASN A 60 15.749 17.868 11.379 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.418 19.558 11.771 1.00 49.38 H new ATOM 960 N ILE A 61 20.363 22.644 11.921 1.00 49.53 N ATOM 961 CA ILE A 61 20.556 24.087 11.582 1.00 50.07 C ATOM 962 C ILE A 61 20.603 24.057 10.058 1.00 50.51 C ATOM 963 O ILE A 61 21.531 23.355 9.559 1.00 49.49 O ATOM 964 CB ILE A 61 21.864 24.664 12.153 1.00 49.91 C ATOM 965 CG1 ILE A 61 21.845 24.616 13.684 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.073 26.090 11.666 1.00 49.73 C ATOM 967 CD1 ILE A 61 23.211 24.764 14.316 1.00 49.73 C ATOM 0 H ILE A 61 21.224 22.099 11.961 1.00 49.53 H new ATOM 0 HA ILE A 61 19.774 24.722 12.000 1.00 50.07 H new ATOM 0 HB ILE A 61 22.695 24.054 11.799 1.00 49.91 H new ATOM 0 HG12 ILE A 61 21.195 25.409 14.055 1.00 49.82 H new ATOM 0 HG13 ILE A 61 21.408 23.670 14.003 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.002 26.483 12.079 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.128 26.098 10.577 1.00 49.73 H new ATOM 0 HG23 ILE A 61 21.239 26.712 11.992 1.00 49.73 H new ATOM 0 HD11 ILE A 61 23.117 24.720 15.401 1.00 49.73 H new ATOM 0 HD12 ILE A 61 23.859 23.957 13.975 1.00 49.73 H new ATOM 0 HD13 ILE A 61 23.643 25.722 14.028 1.00 49.73 H new ATOM 979 N GLN A 62 19.702 24.723 9.391 1.00 49.53 N ATOM 980 CA GLN A 62 19.603 24.715 7.903 1.00 50.07 C ATOM 981 C GLN A 62 20.443 25.836 7.286 1.00 50.51 C ATOM 982 O GLN A 62 21.370 26.344 7.943 1.00 49.49 O ATOM 983 CB GLN A 62 18.144 24.861 7.461 1.00 49.82 C ATOM 984 CG GLN A 62 17.259 23.684 7.838 1.00 49.82 C ATOM 985 CD GLN A 62 15.784 23.996 7.680 1.00 50.55 C ATOM 986 OE1 GLN A 62 15.409 25.048 7.153 1.00 49.45 O ATOM 987 NE2 GLN A 62 14.934 23.084 8.138 1.00 49.38 N ATOM 0 H GLN A 62 18.994 25.302 9.842 1.00 49.53 H new ATOM 0 HA GLN A 62 19.990 23.759 7.552 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.731 25.768 7.903 1.00 49.82 H new ATOM 0 HB3 GLN A 62 18.115 24.991 6.379 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.515 22.827 7.216 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.459 23.399 8.871 1.00 49.82 H new ATOM 0 HE21 GLN A 62 15.286 22.228 8.567 1.00 49.38 H new ATOM 0 HE22 GLN A 62 13.929 23.239 8.061 1.00 49.38 H new ATOM 996 N LYS A 63 20.274 26.094 5.991 1.00 49.53 N ATOM 997 CA LYS A 63 21.056 27.085 5.285 1.00 50.07 C ATOM 998 C LYS A 63 20.472 28.455 5.618 1.00 50.51 C ATOM 999 O LYS A 63 19.284 28.642 5.827 1.00 49.49 O ATOM 1000 CB LYS A 63 21.027 26.835 3.776 1.00 49.82 C ATOM 1001 CG LYS A 63 21.676 27.933 2.944 1.00 49.82 C ATOM 1002 CD LYS A 63 21.682 27.575 1.464 1.00 49.82 C ATOM 1003 CE LYS A 63 22.359 28.657 0.636 1.00 50.21 C ATOM 1004 NZ LYS A 63 22.373 28.321 -0.814 1.00 49.70 N ATOM 0 H LYS A 63 19.587 25.616 5.408 1.00 49.53 H new ATOM 0 HA LYS A 63 22.100 27.031 5.595 1.00 50.07 H new ATOM 0 HB2 LYS A 63 21.531 25.891 3.567 1.00 49.82 H new ATOM 0 HB3 LYS A 63 19.991 26.720 3.459 1.00 49.82 H new ATOM 0 HG2 LYS A 63 21.139 28.870 3.092 1.00 49.82 H new ATOM 0 HG3 LYS A 63 22.698 28.095 3.285 1.00 49.82 H new ATOM 0 HD2 LYS A 63 22.199 26.626 1.319 1.00 49.82 H new ATOM 0 HD3 LYS A 63 20.658 27.436 1.117 1.00 49.82 H new ATOM 0 HE2 LYS A 63 21.841 29.604 0.784 1.00 50.21 H new ATOM 0 HE3 LYS A 63 23.382 28.795 0.986 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 22.843 29.084 -1.343 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 22.890 27.430 -0.959 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 21.396 28.214 -1.155 1.00 49.70 H new ATOM 1018 N GLU A 64 21.414 29.404 5.724 1.00 49.53 N ATOM 1019 CA GLU A 64 21.167 30.791 6.019 1.00 50.07 C ATOM 1020 C GLU A 64 20.704 31.033 7.424 1.00 50.51 C ATOM 1021 O GLU A 64 19.940 31.984 7.724 1.00 49.49 O ATOM 1022 CB GLU A 64 20.145 31.364 5.035 1.00 49.82 C ATOM 1023 CG GLU A 64 20.664 31.526 3.612 1.00 49.72 C ATOM 1024 CD GLU A 64 19.616 32.119 2.713 1.00 50.62 C ATOM 1025 OE1 GLU A 64 19.304 33.274 2.876 1.00 49.24 O ATOM 1026 OE2 GLU A 64 19.206 31.452 1.792 1.00 49.24 O ATOM 0 H GLU A 64 22.405 29.199 5.598 1.00 49.53 H new ATOM 0 HA GLU A 64 22.125 31.300 5.913 1.00 50.07 H new ATOM 0 HB2 GLU A 64 19.271 30.713 5.018 1.00 49.82 H new ATOM 0 HB3 GLU A 64 19.812 32.336 5.400 1.00 49.82 H new ATOM 0 HG2 GLU A 64 21.547 32.165 3.615 1.00 49.72 H new ATOM 0 HG3 GLU A 64 20.974 30.556 3.223 1.00 49.72 H new ATOM 1033 N SER A 65 21.278 30.266 8.338 1.00 49.53 N ATOM 1034 CA SER A 65 21.051 30.415 9.782 1.00 50.07 C ATOM 1035 C SER A 65 22.098 31.343 10.440 1.00 50.51 C ATOM 1036 O SER A 65 23.200 31.497 9.925 1.00 49.49 O ATOM 1037 CB SER A 65 21.061 29.054 10.450 1.00 50.05 C ATOM 1038 OG SER A 65 20.011 28.240 10.006 1.00 49.34 O ATOM 0 H SER A 65 21.923 29.512 8.104 1.00 49.53 H new ATOM 0 HA SER A 65 20.074 30.880 9.918 1.00 50.07 H new ATOM 0 HB2 SER A 65 22.012 28.560 10.250 1.00 50.05 H new ATOM 0 HB3 SER A 65 20.989 29.181 11.530 1.00 50.05 H new ATOM 0 HG SER A 65 20.349 27.603 9.342 1.00 49.34 H new ATOM 1044 N THR A 66 21.746 31.938 11.549 1.00 49.53 N ATOM 1045 CA THR A 66 22.666 32.776 12.327 1.00 50.07 C ATOM 1046 C THR A 66 23.065 32.137 13.657 1.00 50.51 C ATOM 1047 O THR A 66 22.166 31.625 14.360 1.00 49.49 O ATOM 1048 CB THR A 66 22.059 34.163 12.605 1.00 50.14 C ATOM 1049 OG1 THR A 66 21.799 34.833 11.365 1.00 49.34 O ATOM 1050 CG2 THR A 66 23.012 35.005 13.441 1.00 49.73 C ATOM 0 H THR A 66 20.812 31.865 11.953 1.00 49.53 H new ATOM 0 HA THR A 66 23.561 32.880 11.714 1.00 50.07 H new ATOM 0 HB THR A 66 21.128 34.030 13.156 1.00 50.14 H new ATOM 0 HG1 THR A 66 21.411 35.715 11.545 1.00 49.34 H new ATOM 0 HG21 THR A 66 22.566 35.982 13.628 1.00 49.73 H new ATOM 0 HG22 THR A 66 23.201 34.505 14.391 1.00 49.73 H new ATOM 0 HG23 THR A 66 23.952 35.132 12.904 1.00 49.73 H new ATOM 1058 N LEU A 67 24.369 32.016 13.922 1.00 49.53 N ATOM 1059 CA LEU A 67 24.817 31.511 15.225 1.00 50.07 C ATOM 1060 C LEU A 67 25.443 32.740 15.917 1.00 50.51 C ATOM 1061 O LEU A 67 25.763 33.661 15.148 1.00 49.49 O ATOM 1062 CB LEU A 67 25.836 30.376 15.060 1.00 49.82 C ATOM 1063 CG LEU A 67 25.266 29.062 14.513 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.386 28.050 14.313 1.00 49.73 C ATOM 1065 CD2 LEU A 67 24.217 28.523 15.474 1.00 49.73 C ATOM 0 H LEU A 67 25.117 32.254 13.271 1.00 49.53 H new ATOM 0 HA LEU A 67 24.002 31.084 15.808 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.629 30.715 14.393 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.296 30.179 16.028 1.00 49.82 H new ATOM 0 HG LEU A 67 24.795 29.244 13.547 1.00 49.91 H new ATOM 0 HD11 LEU A 67 25.971 27.120 13.924 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.113 28.447 13.605 1.00 49.73 H new ATOM 0 HD13 LEU A 67 26.877 27.857 15.267 1.00 49.73 H new ATOM 0 HD21 LEU A 67 23.812 27.589 15.084 1.00 49.73 H new ATOM 0 HD22 LEU A 67 24.674 28.343 16.447 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.412 29.251 15.580 1.00 49.73 H new ATOM 1077 N HIS A 68 25.487 32.750 17.200 1.00 49.53 N ATOM 1078 CA HIS A 68 26.123 33.893 17.899 1.00 50.07 C ATOM 1079 C HIS A 68 27.565 33.610 18.316 1.00 50.51 C ATOM 1080 O HIS A 68 27.913 32.465 18.675 1.00 49.49 O ATOM 1081 CB HIS A 68 25.301 34.293 19.128 1.00 49.92 C ATOM 1082 CG HIS A 68 23.878 34.636 18.814 1.00 50.22 C ATOM 1083 ND1 HIS A 68 22.920 33.675 18.559 1.00 49.30 N ATOM 1084 CD2 HIS A 68 23.248 35.830 18.714 1.00 49.95 C ATOM 1085 CE1 HIS A 68 21.764 34.266 18.315 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.937 35.572 18.404 1.00 49.64 N ATOM 0 H HIS A 68 25.112 32.019 17.805 1.00 49.53 H new ATOM 0 HA HIS A 68 26.148 34.715 17.184 1.00 50.07 H new ATOM 0 HB2 HIS A 68 25.318 33.475 19.848 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.775 35.149 19.608 1.00 49.92 H new ATOM 0 HD2 HIS A 68 23.694 36.804 18.852 1.00 49.95 H new ATOM 0 HE1 HIS A 68 20.835 33.766 18.082 1.00 50.25 H new ATOM 0 HE2 HIS A 68 21.212 36.276 18.265 1.00 49.64 H new ATOM 1094 N LEU A 69 28.384 34.649 18.363 1.00 49.53 N ATOM 1095 CA LEU A 69 29.766 34.526 18.816 1.00 50.07 C ATOM 1096 C LEU A 69 29.761 35.058 20.218 1.00 50.51 C ATOM 1097 O LEU A 69 29.248 36.218 20.412 1.00 49.49 O ATOM 1098 CB LEU A 69 30.715 35.326 17.915 1.00 49.82 C ATOM 1099 CG LEU A 69 32.203 35.214 18.273 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.714 33.816 17.952 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.992 36.265 17.508 1.00 49.73 C ATOM 0 H LEU A 69 28.115 35.595 18.091 1.00 49.53 H new ATOM 0 HA LEU A 69 30.121 33.496 18.776 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.579 34.994 16.886 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.427 36.376 17.952 1.00 49.82 H new ATOM 0 HG LEU A 69 32.333 35.388 19.341 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.771 33.747 18.210 1.00 49.73 H new ATOM 0 HD12 LEU A 69 32.151 33.082 18.528 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.586 33.617 16.888 1.00 49.73 H new ATOM 0 HD21 LEU A 69 34.049 36.184 17.763 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.864 36.108 16.437 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.629 37.258 17.775 1.00 49.73 H new ATOM 1113 N VAL A 70 30.241 34.336 21.176 1.00 49.53 N ATOM 1114 CA VAL A 70 30.356 34.866 22.565 1.00 50.07 C ATOM 1115 C VAL A 70 31.840 34.742 22.940 1.00 50.51 C ATOM 1116 O VAL A 70 32.514 33.805 22.455 1.00 49.49 O ATOM 1117 CB VAL A 70 29.491 34.077 23.567 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.569 34.706 24.950 1.00 49.73 C ATOM 1119 CG2 VAL A 70 28.048 34.016 23.092 1.00 49.73 C ATOM 0 H VAL A 70 30.568 33.377 21.060 1.00 49.53 H new ATOM 0 HA VAL A 70 30.000 35.895 22.605 1.00 50.07 H new ATOM 0 HB VAL A 70 29.878 33.060 23.629 1.00 49.91 H new ATOM 0 HG11 VAL A 70 28.952 34.136 25.644 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.603 34.700 25.294 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.208 35.733 24.903 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.451 33.455 23.812 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.652 35.027 23.002 1.00 49.73 H new ATOM 0 HG23 VAL A 70 28.005 33.522 22.121 1.00 49.73 H new ATOM 1129 N LEU A 71 32.348 35.665 23.723 1.00 49.53 N ATOM 1130 CA LEU A 71 33.759 35.603 24.161 1.00 50.07 C ATOM 1131 C LEU A 71 34.084 35.390 25.616 1.00 50.51 C ATOM 1132 O LEU A 71 33.916 36.296 26.454 1.00 49.49 O ATOM 1133 CB LEU A 71 34.481 36.869 23.680 1.00 49.82 C ATOM 1134 CG LEU A 71 34.733 36.942 22.169 1.00 49.91 C ATOM 1135 CD1 LEU A 71 35.147 38.354 21.776 1.00 49.73 C ATOM 1136 CD2 LEU A 71 35.808 35.938 21.782 1.00 49.73 C ATOM 0 H LEU A 71 31.827 36.467 24.077 1.00 49.53 H new ATOM 0 HA LEU A 71 34.102 34.674 23.705 1.00 50.07 H new ATOM 0 HB2 LEU A 71 33.894 37.738 23.977 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.439 36.940 24.196 1.00 49.82 H new ATOM 0 HG LEU A 71 33.815 36.695 21.636 1.00 49.91 H new ATOM 0 HD11 LEU A 71 35.324 38.396 20.701 1.00 49.73 H new ATOM 0 HD12 LEU A 71 34.353 39.053 22.041 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.061 38.626 22.305 1.00 49.73 H new ATOM 0 HD21 LEU A 71 35.986 35.991 20.708 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.731 36.169 22.314 1.00 49.73 H new ATOM 0 HD23 LEU A 71 35.479 34.933 22.046 1.00 49.73 H new ATOM 1148 N ARG A 72 34.548 34.245 25.953 1.00 49.53 N ATOM 1149 CA ARG A 72 34.968 33.908 27.330 1.00 50.07 C ATOM 1150 C ARG A 72 36.458 34.239 27.360 1.00 50.51 C ATOM 1151 O ARG A 72 37.147 33.533 26.557 1.00 49.49 O ATOM 1152 CB ARG A 72 34.677 32.463 27.711 1.00 49.82 C ATOM 1153 CG ARG A 72 33.212 32.154 27.976 1.00 49.82 C ATOM 1154 CD ARG A 72 32.732 32.568 29.319 1.00 50.20 C ATOM 1155 NE ARG A 72 33.344 31.849 30.426 1.00 49.30 N ATOM 1156 CZ ARG A 72 33.229 32.198 31.722 1.00 50.64 C ATOM 1157 NH1 ARG A 72 32.560 33.272 32.078 1.00 49.20 N ATOM 1158 NH2 ARG A 72 33.828 31.443 32.627 1.00 49.20 N ATOM 0 H ARG A 72 34.663 33.476 25.293 1.00 49.53 H new ATOM 0 HA ARG A 72 34.406 34.474 28.073 1.00 50.07 H new ATOM 0 HB2 ARG A 72 35.032 31.813 26.911 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.253 32.214 28.602 1.00 49.82 H new ATOM 0 HG2 ARG A 72 32.606 32.650 27.218 1.00 49.82 H new ATOM 0 HG3 ARG A 72 33.053 31.082 27.861 1.00 49.82 H new ATOM 0 HD2 ARG A 72 32.921 33.634 29.446 1.00 50.20 H new ATOM 0 HD3 ARG A 72 31.652 32.428 29.364 1.00 50.20 H new ATOM 0 HE ARG A 72 33.899 31.022 30.205 1.00 49.30 H new ATOM 0 HH11 ARG A 72 32.118 33.856 31.368 1.00 49.20 H new ATOM 0 HH12 ARG A 72 32.483 33.521 33.064 1.00 49.20 H new ATOM 0 HH21 ARG A 72 34.359 30.622 32.336 1.00 49.20 H new ATOM 0 HH22 ARG A 72 33.759 31.681 33.616 1.00 49.20 H new ATOM 1172 N LEU A 73 36.901 35.231 28.058 1.00 49.53 N ATOM 1173 CA LEU A 73 38.351 35.547 28.062 1.00 50.07 C ATOM 1174 C LEU A 73 39.082 34.732 29.121 1.00 50.51 C ATOM 1175 O LEU A 73 38.462 34.032 29.934 1.00 49.49 O ATOM 1176 CB LEU A 73 38.567 37.047 28.299 1.00 49.82 C ATOM 1177 CG LEU A 73 37.986 37.968 27.219 1.00 49.91 C ATOM 1178 CD1 LEU A 73 38.184 39.425 27.613 1.00 49.73 C ATOM 1179 CD2 LEU A 73 38.659 37.676 25.886 1.00 49.73 C ATOM 0 H LEU A 73 36.322 35.844 28.632 1.00 49.53 H new ATOM 0 HA LEU A 73 38.761 35.282 27.087 1.00 50.07 H new ATOM 0 HB2 LEU A 73 38.125 37.315 29.259 1.00 49.82 H new ATOM 0 HB3 LEU A 73 39.638 37.236 28.378 1.00 49.82 H new ATOM 0 HG LEU A 73 36.916 37.783 27.121 1.00 49.91 H new ATOM 0 HD11 LEU A 73 37.768 40.071 26.840 1.00 49.73 H new ATOM 0 HD12 LEU A 73 37.677 39.618 28.558 1.00 49.73 H new ATOM 0 HD13 LEU A 73 39.249 39.631 27.723 1.00 49.73 H new ATOM 0 HD21 LEU A 73 38.246 38.331 25.119 1.00 49.73 H new ATOM 0 HD22 LEU A 73 39.731 37.851 25.974 1.00 49.73 H new ATOM 0 HD23 LEU A 73 38.483 36.637 25.609 1.00 49.73 H new ATOM 1191 N ARG A 74 40.400 34.771 29.007 1.00 49.53 N ATOM 1192 CA ARG A 74 41.290 34.043 29.926 1.00 50.07 C ATOM 1193 C ARG A 74 41.877 35.043 30.918 1.00 50.51 C ATOM 1194 O ARG A 74 42.930 35.654 30.658 1.00 49.49 O ATOM 1195 CB ARG A 74 42.371 33.259 29.197 1.00 49.82 C ATOM 1196 CG ARG A 74 41.889 31.991 28.509 1.00 49.82 C ATOM 1197 CD ARG A 74 42.965 31.197 27.865 1.00 50.20 C ATOM 1198 NE ARG A 74 43.597 31.847 26.728 1.00 49.30 N ATOM 1199 CZ ARG A 74 44.795 32.464 26.769 1.00 50.64 C ATOM 1200 NH1 ARG A 74 45.475 32.548 27.891 1.00 49.20 N ATOM 1201 NH2 ARG A 74 45.256 33.002 25.654 1.00 49.20 N ATOM 0 H ARG A 74 40.889 35.300 28.285 1.00 49.53 H new ATOM 0 HA ARG A 74 40.710 33.292 30.462 1.00 50.07 H new ATOM 0 HB2 ARG A 74 42.829 33.908 28.451 1.00 49.82 H new ATOM 0 HB3 ARG A 74 43.151 32.994 29.911 1.00 49.82 H new ATOM 0 HG2 ARG A 74 41.381 31.365 29.242 1.00 49.82 H new ATOM 0 HG3 ARG A 74 41.151 32.260 27.754 1.00 49.82 H new ATOM 0 HD2 ARG A 74 43.729 30.973 28.610 1.00 50.20 H new ATOM 0 HD3 ARG A 74 42.549 30.244 27.538 1.00 50.20 H new ATOM 0 HE ARG A 74 43.099 31.835 25.838 1.00 49.30 H new ATOM 0 HH11 ARG A 74 45.098 32.143 28.748 1.00 49.20 H new ATOM 0 HH12 ARG A 74 46.380 33.018 27.905 1.00 49.20 H new ATOM 0 HH21 ARG A 74 44.709 32.943 24.795 1.00 49.20 H new ATOM 0 HH22 ARG A 74 46.159 33.476 25.652 1.00 49.20 H new ATOM 1215 N GLY A 75 41.125 35.268 31.989 1.00 49.53 N ATOM 1216 CA GLY A 75 41.513 36.177 33.059 1.00 49.98 C ATOM 1217 C GLY A 75 40.918 37.566 32.948 1.00 50.51 C ATOM 1218 O GLY A 75 40.684 38.101 31.850 1.00 49.49 O ATOM 0 H GLY A 75 40.221 34.820 32.140 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.215 35.743 34.014 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.600 36.261 33.072 1.00 49.98 H new ATOM 1222 N GLY A 76 40.677 38.135 34.114 1.00 49.53 N ATOM 1223 CA GLY A 76 40.117 39.485 34.287 1.00 49.98 C ATOM 1224 C GLY A 76 39.774 39.614 35.780 1.00 50.51 C ATOM 1225 O GLY A 76 38.667 40.118 36.052 1.00 49.49 O ATOM 0 H GLY A 76 40.867 37.667 35.000 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.835 40.247 33.985 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.229 39.621 33.670 1.00 49.98 H new TER 1229 GLY A 76