USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.514 K(o=-0.51,f=-1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0.964 (180deg=0.931) USER MOD Single : A 2 GLN : amide:sc= -0.048 K(o=-0.048,f=-2.2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -158:sc= -0.144 (180deg=-0.546) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 44:sc= 0.0832 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -105:sc= 1.19 (180deg=-0.101) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.988 K(o=-0.99,f=-4!) USER MOD Single : A 41 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.34) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 101:sc= 0.182 USER MOD Single : A 59 TYR OH : rot 165:sc= 0.0429 USER MOD Single : A 60 ASN : amide:sc=-0.00493 X(o=-0.0049,f=-0.22) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 86:sc= 0.68 USER MOD Single : A 66 THR OG1 : rot 26:sc= 0.0437 USER MOD Single : A 68 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.138 24.823 2.778 1.00 49.53 N ATOM 2 CA MET A 1 26.039 25.766 3.050 1.00 50.07 C ATOM 3 C MET A 1 26.676 27.011 3.714 1.00 50.51 C ATOM 4 O MET A 1 27.764 26.892 4.277 1.00 49.49 O ATOM 5 CB MET A 1 24.991 25.134 3.963 1.00 49.82 C ATOM 6 CG MET A 1 24.209 23.992 3.327 1.00 49.86 C ATOM 7 SD MET A 1 22.855 23.413 4.368 1.00 49.91 S ATOM 8 CE MET A 1 22.279 22.006 3.422 1.00 49.78 C ATOM 0 H1 MET A 1 26.748 23.933 2.408 1.00 49.53 H new ATOM 0 H2 MET A 1 27.784 25.236 2.076 1.00 49.53 H new ATOM 0 H3 MET A 1 27.658 24.633 3.658 1.00 49.53 H new ATOM 0 HA MET A 1 25.524 26.039 2.129 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.485 24.764 4.861 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.290 25.906 4.280 1.00 49.82 H new ATOM 0 HG2 MET A 1 23.810 24.320 2.367 1.00 49.86 H new ATOM 0 HG3 MET A 1 24.886 23.162 3.123 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.440 21.539 3.938 1.00 49.78 H new ATOM 0 HE2 MET A 1 21.958 22.338 2.435 1.00 49.78 H new ATOM 0 HE3 MET A 1 23.088 21.283 3.317 1.00 49.78 H new ATOM 18 N GLN A 2 25.967 28.095 3.608 1.00 49.53 N ATOM 19 CA GLN A 2 26.464 29.354 4.245 1.00 50.07 C ATOM 20 C GLN A 2 25.698 29.494 5.552 1.00 50.51 C ATOM 21 O GLN A 2 24.542 29.014 5.722 1.00 49.49 O ATOM 22 CB GLN A 2 26.219 30.567 3.344 1.00 49.82 C ATOM 23 CG GLN A 2 27.008 30.547 2.046 1.00 49.82 C ATOM 24 CD GLN A 2 28.385 31.163 2.196 1.00 50.55 C ATOM 25 OE1 GLN A 2 29.131 30.833 3.123 1.00 49.45 O ATOM 26 NE2 GLN A 2 28.731 32.067 1.286 1.00 49.38 N ATOM 0 H GLN A 2 25.076 28.171 3.116 1.00 49.53 H new ATOM 0 HA GLN A 2 27.540 29.308 4.413 1.00 50.07 H new ATOM 0 HB2 GLN A 2 25.156 30.623 3.109 1.00 49.82 H new ATOM 0 HB3 GLN A 2 26.471 31.472 3.896 1.00 49.82 H new ATOM 0 HG2 GLN A 2 27.109 29.518 1.702 1.00 49.82 H new ATOM 0 HG3 GLN A 2 26.453 31.087 1.279 1.00 49.82 H new ATOM 0 HE21 GLN A 2 28.083 32.310 0.536 1.00 49.38 H new ATOM 0 HE22 GLN A 2 29.644 32.518 1.337 1.00 49.38 H new ATOM 35 N ILE A 3 26.356 30.102 6.527 1.00 49.53 N ATOM 36 CA ILE A 3 25.688 30.437 7.799 1.00 50.07 C ATOM 37 C ILE A 3 26.379 31.748 8.275 1.00 50.51 C ATOM 38 O ILE A 3 27.495 31.958 7.827 1.00 49.49 O ATOM 39 CB ILE A 3 25.853 29.332 8.859 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.335 29.113 9.174 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.207 28.040 8.385 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.580 28.349 10.456 1.00 49.73 C ATOM 0 H ILE A 3 27.337 30.375 6.475 1.00 49.53 H new ATOM 0 HA ILE A 3 24.613 30.547 7.658 1.00 50.07 H new ATOM 0 HB ILE A 3 25.351 29.649 9.773 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.797 28.574 8.347 1.00 49.82 H new ATOM 0 HG13 ILE A 3 27.830 30.082 9.239 1.00 49.82 H new ATOM 0 HG21 ILE A 3 25.333 27.270 9.146 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.144 28.207 8.210 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.680 27.715 7.458 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.653 28.233 10.611 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.149 28.897 11.294 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.115 27.365 10.388 1.00 49.73 H new ATOM 54 N PHE A 4 25.673 32.428 9.148 1.00 49.53 N ATOM 55 CA PHE A 4 26.268 33.712 9.675 1.00 50.07 C ATOM 56 C PHE A 4 26.773 33.616 11.088 1.00 50.51 C ATOM 57 O PHE A 4 26.153 32.850 11.840 1.00 49.49 O ATOM 58 CB PHE A 4 25.244 34.844 9.574 1.00 49.82 C ATOM 59 CG PHE A 4 24.991 35.306 8.166 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.774 36.297 7.594 1.00 49.88 C ATOM 61 CD2 PHE A 4 23.967 34.751 7.413 1.00 49.88 C ATOM 62 CE1 PHE A 4 25.542 36.724 6.302 1.00 49.88 C ATOM 63 CE2 PHE A 4 23.733 35.176 6.118 1.00 49.88 C ATOM 64 CZ PHE A 4 24.520 36.162 5.563 1.00 49.88 C ATOM 0 H PHE A 4 24.754 32.172 9.509 1.00 49.53 H new ATOM 0 HA PHE A 4 27.136 33.920 9.049 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.303 34.511 10.012 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.591 35.690 10.168 1.00 49.82 H new ATOM 0 HD1 PHE A 4 26.575 36.740 8.166 1.00 49.88 H new ATOM 0 HD2 PHE A 4 23.346 33.979 7.842 1.00 49.88 H new ATOM 0 HE1 PHE A 4 26.160 37.497 5.869 1.00 49.88 H new ATOM 0 HE2 PHE A 4 22.933 34.735 5.541 1.00 49.88 H new ATOM 0 HZ PHE A 4 24.338 36.494 4.552 1.00 49.88 H new ATOM 74 N VAL A 5 27.795 34.360 11.499 1.00 49.53 N ATOM 75 CA VAL A 5 28.245 34.354 12.876 1.00 50.07 C ATOM 76 C VAL A 5 28.297 35.861 13.230 1.00 50.51 C ATOM 77 O VAL A 5 28.702 36.570 12.300 1.00 49.49 O ATOM 78 CB VAL A 5 29.636 33.713 13.046 1.00 49.91 C ATOM 79 CG1 VAL A 5 30.011 33.640 14.518 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.663 32.327 12.420 1.00 49.73 C ATOM 0 H VAL A 5 28.328 34.978 10.887 1.00 49.53 H new ATOM 0 HA VAL A 5 27.589 33.766 13.517 1.00 50.07 H new ATOM 0 HB VAL A 5 30.369 34.337 12.534 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.996 33.185 14.620 1.00 49.73 H new ATOM 0 HG12 VAL A 5 30.030 34.645 14.939 1.00 49.73 H new ATOM 0 HG13 VAL A 5 29.276 33.038 15.051 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.653 31.889 12.549 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.920 31.694 12.905 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.436 32.404 11.357 1.00 49.73 H new ATOM 90 N LYS A 6 27.888 36.205 14.401 1.00 49.53 N ATOM 91 CA LYS A 6 27.867 37.654 14.804 1.00 50.07 C ATOM 92 C LYS A 6 28.937 37.983 15.807 1.00 50.51 C ATOM 93 O LYS A 6 29.180 37.198 16.755 1.00 49.49 O ATOM 94 CB LYS A 6 26.494 38.029 15.366 1.00 49.82 C ATOM 95 CG LYS A 6 26.347 39.498 15.737 1.00 49.82 C ATOM 96 CD LYS A 6 24.890 39.864 15.983 1.00 49.82 C ATOM 97 CE LYS A 6 24.743 41.331 16.359 1.00 50.21 C ATOM 98 NZ LYS A 6 23.321 41.707 16.584 1.00 49.70 N ATOM 0 H LYS A 6 27.561 35.554 15.115 1.00 49.53 H new ATOM 0 HA LYS A 6 28.068 38.239 13.906 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.732 37.775 14.630 1.00 49.82 H new ATOM 0 HB3 LYS A 6 26.299 37.422 16.250 1.00 49.82 H new ATOM 0 HG2 LYS A 6 26.933 39.710 16.631 1.00 49.82 H new ATOM 0 HG3 LYS A 6 26.750 40.119 14.937 1.00 49.82 H new ATOM 0 HD2 LYS A 6 24.305 39.656 15.087 1.00 49.82 H new ATOM 0 HD3 LYS A 6 24.486 39.240 16.780 1.00 49.82 H new ATOM 0 HE2 LYS A 6 25.319 41.534 17.262 1.00 50.21 H new ATOM 0 HE3 LYS A 6 25.162 41.952 15.567 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 23.264 42.714 16.838 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 22.775 41.538 15.715 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 22.928 41.132 17.357 1.00 49.70 H new ATOM 112 N THR A 7 29.610 39.143 15.637 1.00 49.53 N ATOM 113 CA THR A 7 30.670 39.530 16.580 1.00 50.07 C ATOM 114 C THR A 7 30.203 40.836 17.227 1.00 50.51 C ATOM 115 O THR A 7 29.403 41.536 16.600 1.00 49.49 O ATOM 116 CB THR A 7 32.024 39.744 15.880 1.00 50.14 C ATOM 117 OG1 THR A 7 31.921 40.834 14.955 1.00 49.34 O ATOM 118 CG2 THR A 7 32.444 38.487 15.132 1.00 49.73 C ATOM 0 H THR A 7 29.442 39.805 14.880 1.00 49.53 H new ATOM 0 HA THR A 7 30.829 38.738 17.312 1.00 50.07 H new ATOM 0 HB THR A 7 32.774 39.971 16.637 1.00 50.14 H new ATOM 0 HG1 THR A 7 32.784 40.970 14.512 1.00 49.34 H new ATOM 0 HG21 THR A 7 33.403 38.658 14.644 1.00 49.73 H new ATOM 0 HG22 THR A 7 32.537 37.659 15.835 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.693 38.243 14.381 1.00 49.73 H new ATOM 126 N LEU A 8 30.733 41.177 18.381 1.00 49.53 N ATOM 127 CA LEU A 8 30.300 42.403 19.089 1.00 50.07 C ATOM 128 C LEU A 8 30.371 43.683 18.282 1.00 50.51 C ATOM 129 O LEU A 8 29.817 44.713 18.712 1.00 49.49 O ATOM 130 CB LEU A 8 31.116 42.565 20.378 1.00 49.82 C ATOM 131 CG LEU A 8 30.942 41.440 21.408 1.00 49.91 C ATOM 132 CD1 LEU A 8 31.876 41.665 22.589 1.00 49.73 C ATOM 133 CD2 LEU A 8 29.493 41.392 21.867 1.00 49.73 C ATOM 0 H LEU A 8 31.457 40.642 18.860 1.00 49.53 H new ATOM 0 HA LEU A 8 29.240 42.254 19.297 1.00 50.07 H new ATOM 0 HB2 LEU A 8 32.171 42.634 20.115 1.00 49.82 H new ATOM 0 HB3 LEU A 8 30.842 43.510 20.846 1.00 49.82 H new ATOM 0 HG LEU A 8 31.196 40.484 20.950 1.00 49.91 H new ATOM 0 HD11 LEU A 8 31.745 40.862 23.314 1.00 49.73 H new ATOM 0 HD12 LEU A 8 32.908 41.674 22.240 1.00 49.73 H new ATOM 0 HD13 LEU A 8 31.644 42.620 23.060 1.00 49.73 H new ATOM 0 HD21 LEU A 8 29.369 40.593 22.598 1.00 49.73 H new ATOM 0 HD22 LEU A 8 29.224 42.345 22.322 1.00 49.73 H new ATOM 0 HD23 LEU A 8 28.846 41.203 21.010 1.00 49.73 H new ATOM 145 N THR A 9 31.010 43.641 17.097 1.00 49.53 N ATOM 146 CA THR A 9 31.052 44.934 16.333 1.00 50.07 C ATOM 147 C THR A 9 29.765 45.071 15.578 1.00 50.51 C ATOM 148 O THR A 9 29.542 46.044 14.833 1.00 49.49 O ATOM 149 CB THR A 9 32.236 44.985 15.351 1.00 50.14 C ATOM 150 OG1 THR A 9 33.469 44.919 16.080 1.00 49.34 O ATOM 151 CG2 THR A 9 32.201 46.270 14.538 1.00 49.73 C ATOM 0 H THR A 9 31.462 42.832 16.671 1.00 49.53 H new ATOM 0 HA THR A 9 31.183 45.754 17.039 1.00 50.07 H new ATOM 0 HB THR A 9 32.161 44.136 14.672 1.00 50.14 H new ATOM 0 HG1 THR A 9 34.222 44.950 15.453 1.00 49.34 H new ATOM 0 HG21 THR A 9 33.046 46.288 13.849 1.00 49.73 H new ATOM 0 HG22 THR A 9 31.271 46.317 13.972 1.00 49.73 H new ATOM 0 HG23 THR A 9 32.262 47.127 15.209 1.00 49.73 H new ATOM 159 N GLY A 10 28.900 44.110 15.670 1.00 49.53 N ATOM 160 CA GLY A 10 27.619 44.110 15.001 1.00 49.98 C ATOM 161 C GLY A 10 27.859 43.522 13.643 1.00 50.51 C ATOM 162 O GLY A 10 26.899 43.296 12.872 1.00 49.49 O ATOM 0 H GLY A 10 29.063 43.273 16.229 1.00 49.53 H new ATOM 0 HA2 GLY A 10 26.889 43.522 15.557 1.00 49.98 H new ATOM 0 HA3 GLY A 10 27.220 45.121 14.923 1.00 49.98 H new ATOM 166 N LYS A 11 29.106 43.293 13.322 1.00 49.53 N ATOM 167 CA LYS A 11 29.486 42.628 12.083 1.00 50.07 C ATOM 168 C LYS A 11 29.075 41.159 11.835 1.00 50.51 C ATOM 169 O LYS A 11 29.150 40.393 12.790 1.00 49.49 O ATOM 170 CB LYS A 11 31.001 42.738 11.903 1.00 49.82 C ATOM 171 CG LYS A 11 31.541 42.032 10.667 1.00 49.82 C ATOM 172 CD LYS A 11 33.025 42.306 10.477 1.00 49.82 C ATOM 173 CE LYS A 11 33.267 43.714 9.954 1.00 50.21 C ATOM 174 NZ LYS A 11 32.618 43.936 8.633 1.00 49.70 N ATOM 0 H LYS A 11 29.896 43.560 13.909 1.00 49.53 H new ATOM 0 HA LYS A 11 28.891 43.170 11.348 1.00 50.07 H new ATOM 0 HB2 LYS A 11 31.273 43.792 11.852 1.00 49.82 H new ATOM 0 HB3 LYS A 11 31.490 42.325 12.785 1.00 49.82 H new ATOM 0 HG2 LYS A 11 31.376 40.958 10.758 1.00 49.82 H new ATOM 0 HG3 LYS A 11 30.992 42.365 9.786 1.00 49.82 H new ATOM 0 HD2 LYS A 11 33.545 42.174 11.426 1.00 49.82 H new ATOM 0 HD3 LYS A 11 33.444 41.580 9.780 1.00 49.82 H new ATOM 0 HE2 LYS A 11 32.884 44.439 10.673 1.00 50.21 H new ATOM 0 HE3 LYS A 11 34.339 43.889 9.865 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 33.087 44.725 8.144 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 32.699 43.074 8.057 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 31.613 44.165 8.774 1.00 49.70 H new ATOM 188 N THR A 12 28.724 40.848 10.601 1.00 49.53 N ATOM 189 CA THR A 12 28.408 39.436 10.313 1.00 50.07 C ATOM 190 C THR A 12 29.460 38.831 9.384 1.00 50.51 C ATOM 191 O THR A 12 30.167 39.631 8.765 1.00 49.49 O ATOM 192 CB THR A 12 27.018 39.283 9.671 1.00 50.14 C ATOM 193 OG1 THR A 12 27.035 39.837 8.348 1.00 49.34 O ATOM 194 CG2 THR A 12 25.965 39.999 10.502 1.00 49.73 C ATOM 0 H THR A 12 28.649 41.497 9.818 1.00 49.53 H new ATOM 0 HA THR A 12 28.409 38.906 11.265 1.00 50.07 H new ATOM 0 HB THR A 12 26.771 38.222 9.625 1.00 50.14 H new ATOM 0 HG1 THR A 12 26.150 39.737 7.940 1.00 49.34 H new ATOM 0 HG21 THR A 12 24.988 39.880 10.033 1.00 49.73 H new ATOM 0 HG22 THR A 12 25.940 39.572 11.505 1.00 49.73 H new ATOM 0 HG23 THR A 12 26.210 41.059 10.565 1.00 49.73 H new ATOM 202 N ILE A 13 29.567 37.503 9.404 1.00 49.53 N ATOM 203 CA ILE A 13 30.595 36.932 8.485 1.00 50.07 C ATOM 204 C ILE A 13 30.100 35.629 7.924 1.00 50.51 C ATOM 205 O ILE A 13 29.441 34.853 8.644 1.00 49.49 O ATOM 206 CB ILE A 13 31.939 36.705 9.200 1.00 49.91 C ATOM 207 CG1 ILE A 13 31.777 35.677 10.325 1.00 49.82 C ATOM 208 CG2 ILE A 13 32.479 38.017 9.749 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.063 35.363 11.054 1.00 49.73 C ATOM 0 H ILE A 13 29.029 36.849 9.972 1.00 49.53 H new ATOM 0 HA ILE A 13 30.760 37.650 7.682 1.00 50.07 H new ATOM 0 HB ILE A 13 32.655 36.316 8.476 1.00 49.91 H new ATOM 0 HG12 ILE A 13 31.045 36.049 11.042 1.00 49.82 H new ATOM 0 HG13 ILE A 13 31.373 34.755 9.907 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.430 37.837 10.251 1.00 49.73 H new ATOM 0 HG22 ILE A 13 32.629 38.720 8.930 1.00 49.73 H new ATOM 0 HG23 ILE A 13 31.766 38.435 10.460 1.00 49.73 H new ATOM 0 HD11 ILE A 13 32.868 34.628 11.835 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.791 34.960 10.350 1.00 49.73 H new ATOM 0 HD13 ILE A 13 33.458 36.274 11.503 1.00 49.73 H new ATOM 221 N THR A 14 30.390 35.347 6.673 1.00 49.53 N ATOM 222 CA THR A 14 29.928 34.030 6.144 1.00 50.07 C ATOM 223 C THR A 14 30.929 32.911 6.270 1.00 50.51 C ATOM 224 O THR A 14 32.071 33.022 5.750 1.00 49.49 O ATOM 225 CB THR A 14 29.513 34.144 4.666 1.00 50.14 C ATOM 226 OG1 THR A 14 30.534 34.831 3.932 1.00 49.34 O ATOM 227 CG2 THR A 14 28.202 34.905 4.537 1.00 49.73 C ATOM 0 H THR A 14 30.903 35.944 6.024 1.00 49.53 H new ATOM 0 HA THR A 14 29.077 33.772 6.775 1.00 50.07 H new ATOM 0 HB THR A 14 29.380 33.140 4.263 1.00 50.14 H new ATOM 0 HG1 THR A 14 31.413 34.487 4.195 1.00 49.34 H new ATOM 0 HG21 THR A 14 27.924 34.976 3.485 1.00 49.73 H new ATOM 0 HG22 THR A 14 27.420 34.378 5.084 1.00 49.73 H new ATOM 0 HG23 THR A 14 28.321 35.907 4.949 1.00 49.73 H new ATOM 235 N LEU A 15 30.575 31.818 6.927 1.00 49.53 N ATOM 236 CA LEU A 15 31.476 30.701 7.111 1.00 50.07 C ATOM 237 C LEU A 15 31.110 29.672 6.035 1.00 50.51 C ATOM 238 O LEU A 15 30.016 29.829 5.508 1.00 49.49 O ATOM 239 CB LEU A 15 31.334 30.108 8.519 1.00 49.82 C ATOM 240 CG LEU A 15 31.831 31.007 9.659 1.00 49.91 C ATOM 241 CD1 LEU A 15 31.688 30.285 10.992 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.281 31.392 9.407 1.00 49.73 C ATOM 0 H LEU A 15 29.655 31.684 7.346 1.00 49.53 H new ATOM 0 HA LEU A 15 32.516 31.012 7.014 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.284 29.874 8.693 1.00 49.82 H new ATOM 0 HB3 LEU A 15 31.881 29.166 8.556 1.00 49.82 H new ATOM 0 HG LEU A 15 31.229 31.915 9.696 1.00 49.91 H new ATOM 0 HD11 LEU A 15 32.043 30.930 11.795 1.00 49.73 H new ATOM 0 HD12 LEU A 15 30.640 30.038 11.161 1.00 49.73 H new ATOM 0 HD13 LEU A 15 32.278 29.369 10.975 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.634 32.031 10.217 1.00 49.73 H new ATOM 0 HD22 LEU A 15 33.894 30.492 9.361 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.356 31.930 8.462 1.00 49.73 H new ATOM 254 N GLU A 16 32.001 28.731 5.833 1.00 49.53 N ATOM 255 CA GLU A 16 31.629 27.625 4.891 1.00 50.07 C ATOM 256 C GLU A 16 31.709 26.249 5.517 1.00 50.51 C ATOM 257 O GLU A 16 32.812 25.737 5.696 1.00 49.49 O ATOM 258 CB GLU A 16 32.513 27.676 3.643 1.00 49.82 C ATOM 259 CG GLU A 16 32.407 26.449 2.748 1.00 49.72 C ATOM 260 CD GLU A 16 30.977 26.152 2.395 1.00 50.62 C ATOM 261 OE1 GLU A 16 30.342 26.997 1.810 1.00 49.24 O ATOM 262 OE2 GLU A 16 30.552 25.041 2.608 1.00 49.24 O ATOM 0 H GLU A 16 32.928 28.677 6.256 1.00 49.53 H new ATOM 0 HA GLU A 16 30.585 27.789 4.622 1.00 50.07 H new ATOM 0 HB2 GLU A 16 32.249 28.559 3.061 1.00 49.82 H new ATOM 0 HB3 GLU A 16 33.551 27.797 3.952 1.00 49.82 H new ATOM 0 HG2 GLU A 16 32.983 26.610 1.837 1.00 49.72 H new ATOM 0 HG3 GLU A 16 32.845 25.589 3.254 1.00 49.72 H new ATOM 269 N VAL A 17 30.531 25.795 5.916 1.00 49.53 N ATOM 270 CA VAL A 17 30.384 24.509 6.587 1.00 50.07 C ATOM 271 C VAL A 17 29.584 23.555 5.688 1.00 50.51 C ATOM 272 O VAL A 17 29.090 23.931 4.601 1.00 49.49 O ATOM 273 CB VAL A 17 29.675 24.649 7.946 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.416 25.638 8.834 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.232 25.087 7.751 1.00 49.73 C ATOM 0 H VAL A 17 29.655 26.302 5.786 1.00 49.53 H new ATOM 0 HA VAL A 17 31.382 24.111 6.771 1.00 50.07 H new ATOM 0 HB VAL A 17 29.677 23.676 8.437 1.00 49.91 H new ATOM 0 HG11 VAL A 17 29.901 25.725 9.791 1.00 49.73 H new ATOM 0 HG12 VAL A 17 31.434 25.286 9.001 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.445 26.613 8.348 1.00 49.73 H new ATOM 0 HG21 VAL A 17 27.746 25.181 8.722 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.210 26.049 7.239 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.704 24.345 7.151 1.00 49.73 H new ATOM 285 N GLU A 18 29.647 22.310 6.107 1.00 49.53 N ATOM 286 CA GLU A 18 28.885 21.213 5.505 1.00 50.07 C ATOM 287 C GLU A 18 28.040 20.604 6.613 1.00 50.51 C ATOM 288 O GLU A 18 28.271 20.838 7.789 1.00 49.49 O ATOM 289 CB GLU A 18 29.817 20.167 4.891 1.00 49.82 C ATOM 290 CG GLU A 18 30.484 20.602 3.593 1.00 49.72 C ATOM 291 CD GLU A 18 31.537 19.619 3.164 1.00 50.62 C ATOM 292 OE1 GLU A 18 31.750 18.659 3.866 1.00 49.24 O ATOM 293 OE2 GLU A 18 32.051 19.765 2.080 1.00 49.24 O ATOM 0 H GLU A 18 30.235 22.016 6.887 1.00 49.53 H new ATOM 0 HA GLU A 18 28.255 21.581 4.695 1.00 50.07 H new ATOM 0 HB2 GLU A 18 30.591 19.917 5.617 1.00 49.82 H new ATOM 0 HB3 GLU A 18 29.248 19.256 4.705 1.00 49.82 H new ATOM 0 HG2 GLU A 18 29.732 20.698 2.810 1.00 49.72 H new ATOM 0 HG3 GLU A 18 30.934 21.586 3.725 1.00 49.72 H new ATOM 300 N PRO A 19 27.007 19.872 6.243 1.00 49.71 N ATOM 301 CA PRO A 19 26.140 19.188 7.205 1.00 50.02 C ATOM 302 C PRO A 19 26.923 18.289 8.129 1.00 50.51 C ATOM 303 O PRO A 19 26.476 17.946 9.232 1.00 49.49 O ATOM 304 CB PRO A 19 25.180 18.370 6.313 1.00 49.82 C ATOM 305 CG PRO A 19 25.110 19.187 5.065 1.00 49.82 C ATOM 306 CD PRO A 19 26.581 19.620 4.844 1.00 50.00 C ATOM 0 HA PRO A 19 25.622 19.885 7.863 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.563 17.368 6.119 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.200 18.253 6.775 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.730 18.607 4.224 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.450 20.047 5.183 1.00 49.82 H new ATOM 0 HD2 PRO A 19 27.174 18.841 4.365 1.00 50.00 H new ATOM 0 HD3 PRO A 19 26.661 20.510 4.220 1.00 50.00 H new ATOM 314 N SER A 20 28.086 17.842 7.688 1.00 49.53 N ATOM 315 CA SER A 20 28.888 16.917 8.504 1.00 50.07 C ATOM 316 C SER A 20 29.928 17.432 9.473 1.00 50.51 C ATOM 317 O SER A 20 30.503 16.609 10.206 1.00 49.49 O ATOM 318 CB SER A 20 29.556 15.919 7.579 1.00 50.05 C ATOM 319 OG SER A 20 28.629 15.261 6.758 1.00 49.34 O ATOM 0 H SER A 20 28.499 18.092 6.789 1.00 49.53 H new ATOM 0 HA SER A 20 28.134 16.515 9.181 1.00 50.07 H new ATOM 0 HB2 SER A 20 30.288 16.434 6.958 1.00 50.05 H new ATOM 0 HB3 SER A 20 30.101 15.184 8.171 1.00 50.05 H new ATOM 0 HG SER A 20 29.099 14.628 6.176 1.00 49.34 H new ATOM 325 N ASP A 21 30.258 18.721 9.371 1.00 49.53 N ATOM 326 CA ASP A 21 31.297 19.236 10.303 1.00 50.07 C ATOM 327 C ASP A 21 30.760 19.355 11.706 1.00 50.51 C ATOM 328 O ASP A 21 29.596 19.749 11.912 1.00 49.49 O ATOM 329 CB ASP A 21 31.822 20.592 9.824 1.00 49.72 C ATOM 330 CG ASP A 21 32.557 20.547 8.491 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.030 19.494 8.131 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.506 21.518 7.774 1.00 49.24 O ATOM 0 H ASP A 21 29.865 19.393 8.712 1.00 49.53 H new ATOM 0 HA ASP A 21 32.120 18.521 10.313 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.983 21.283 9.739 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.493 20.996 10.582 1.00 49.72 H new ATOM 337 N THR A 22 31.629 19.130 12.676 1.00 49.53 N ATOM 338 CA THR A 22 31.292 19.294 14.070 1.00 50.07 C ATOM 339 C THR A 22 31.514 20.762 14.504 1.00 50.51 C ATOM 340 O THR A 22 31.947 21.580 13.689 1.00 49.49 O ATOM 341 CB THR A 22 32.126 18.366 14.971 1.00 50.14 C ATOM 342 OG1 THR A 22 33.493 18.798 14.971 1.00 49.34 O ATOM 343 CG2 THR A 22 32.053 16.931 14.472 1.00 49.73 C ATOM 0 H THR A 22 32.590 18.828 12.513 1.00 49.53 H new ATOM 0 HA THR A 22 30.241 19.028 14.184 1.00 50.07 H new ATOM 0 HB THR A 22 31.723 18.409 15.983 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.023 18.207 15.546 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.649 16.289 15.121 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.016 16.595 14.482 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.442 16.879 13.455 1.00 49.73 H new ATOM 351 N ILE A 23 31.088 21.013 15.743 1.00 49.53 N ATOM 352 CA ILE A 23 31.297 22.321 16.358 1.00 50.07 C ATOM 353 C ILE A 23 32.799 22.585 16.495 1.00 50.51 C ATOM 354 O ILE A 23 33.328 23.630 16.079 1.00 49.49 O ATOM 355 CB ILE A 23 30.632 22.415 17.743 1.00 49.91 C ATOM 356 CG1 ILE A 23 29.111 22.280 17.614 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.997 23.727 18.420 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.448 23.462 16.944 1.00 49.73 C ATOM 0 H ILE A 23 30.603 20.337 16.332 1.00 49.53 H new ATOM 0 HA ILE A 23 30.837 23.071 15.714 1.00 50.07 H new ATOM 0 HB ILE A 23 31.000 21.596 18.361 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.883 21.378 17.047 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.682 22.149 18.607 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.519 23.777 19.398 1.00 49.73 H new ATOM 0 HG22 ILE A 23 32.079 23.785 18.542 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.656 24.560 17.806 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.373 23.293 16.889 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.644 24.365 17.522 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.848 23.581 15.937 1.00 49.73 H new ATOM 370 N GLU A 24 33.513 21.621 17.029 1.00 49.53 N ATOM 371 CA GLU A 24 35.004 21.760 17.145 1.00 50.07 C ATOM 372 C GLU A 24 35.628 22.246 15.860 1.00 50.51 C ATOM 373 O GLU A 24 36.590 23.051 15.870 1.00 49.49 O ATOM 374 CB GLU A 24 35.631 20.426 17.557 1.00 49.82 C ATOM 375 CG GLU A 24 37.141 20.473 17.741 1.00 49.72 C ATOM 376 CD GLU A 24 37.673 19.154 18.231 1.00 50.62 C ATOM 377 OE1 GLU A 24 37.432 18.162 17.587 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.413 19.153 19.185 1.00 49.24 O ATOM 0 H GLU A 24 33.131 20.746 17.389 1.00 49.53 H new ATOM 0 HA GLU A 24 35.201 22.508 17.913 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.173 20.096 18.490 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.392 19.677 16.802 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.617 20.731 16.795 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.399 21.258 18.452 1.00 49.72 H new ATOM 385 N ASN A 25 35.135 21.751 14.737 1.00 49.53 N ATOM 386 CA ASN A 25 35.620 22.101 13.395 1.00 50.07 C ATOM 387 C ASN A 25 35.233 23.522 12.988 1.00 50.51 C ATOM 388 O ASN A 25 36.081 24.302 12.509 1.00 49.49 O ATOM 389 CB ASN A 25 35.125 21.110 12.357 1.00 49.82 C ATOM 390 CG ASN A 25 35.797 19.767 12.434 1.00 50.55 C ATOM 391 OD1 ASN A 25 36.972 19.659 12.804 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.086 18.755 12.008 1.00 49.38 N ATOM 0 H ASN A 25 34.368 21.078 14.723 1.00 49.53 H new ATOM 0 HA ASN A 25 36.708 22.054 13.439 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.050 20.976 12.479 1.00 49.82 H new ATOM 0 HB3 ASN A 25 35.283 21.529 11.363 1.00 49.82 H new ATOM 0 HD21 ASN A 25 35.498 17.823 11.970 1.00 49.38 H new ATOM 0 HD22 ASN A 25 34.120 18.898 11.714 1.00 49.38 H new ATOM 399 N VAL A 26 33.953 23.809 13.172 1.00 49.53 N ATOM 400 CA VAL A 26 33.436 25.137 12.858 1.00 50.07 C ATOM 401 C VAL A 26 34.263 26.187 13.594 1.00 50.51 C ATOM 402 O VAL A 26 34.465 27.303 13.103 1.00 49.49 O ATOM 403 CB VAL A 26 31.954 25.282 13.252 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.503 26.727 13.101 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.086 24.363 12.407 1.00 49.73 C ATOM 0 H VAL A 26 33.260 23.153 13.532 1.00 49.53 H new ATOM 0 HA VAL A 26 33.510 25.281 11.780 1.00 50.07 H new ATOM 0 HB VAL A 26 31.845 24.993 14.297 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.454 26.812 13.383 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.106 27.366 13.747 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.626 27.040 12.064 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.042 24.479 12.699 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.199 24.622 11.354 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.394 23.329 12.561 1.00 49.73 H new ATOM 415 N LYS A 27 34.714 25.831 14.791 1.00 49.53 N ATOM 416 CA LYS A 27 35.518 26.760 15.599 1.00 50.07 C ATOM 417 C LYS A 27 36.945 26.872 15.088 1.00 50.51 C ATOM 418 O LYS A 27 37.570 27.948 15.260 1.00 49.49 O ATOM 419 CB LYS A 27 35.521 26.324 17.065 1.00 49.82 C ATOM 420 CG LYS A 27 34.143 26.286 17.713 1.00 49.82 C ATOM 421 CD LYS A 27 34.246 26.242 19.230 1.00 49.82 C ATOM 422 CE LYS A 27 34.739 24.886 19.713 1.00 50.21 C ATOM 423 NZ LYS A 27 34.735 24.789 21.197 1.00 49.70 N ATOM 0 H LYS A 27 34.544 24.923 15.224 1.00 49.53 H new ATOM 0 HA LYS A 27 35.058 27.744 15.514 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.970 25.333 17.136 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.157 27.003 17.632 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.572 27.164 17.411 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.596 25.413 17.358 1.00 49.82 H new ATOM 0 HD2 LYS A 27 34.926 27.022 19.573 1.00 49.82 H new ATOM 0 HD3 LYS A 27 33.271 26.454 19.669 1.00 49.82 H new ATOM 0 HE2 LYS A 27 34.108 24.101 19.297 1.00 50.21 H new ATOM 0 HE3 LYS A 27 35.749 24.714 19.341 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 35.710 24.860 21.552 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 34.164 25.563 21.594 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 34.328 23.876 21.484 1.00 49.70 H new ATOM 437 N ALA A 28 37.484 25.811 14.524 1.00 49.53 N ATOM 438 CA ALA A 28 38.831 25.837 13.939 1.00 50.07 C ATOM 439 C ALA A 28 38.780 26.656 12.662 1.00 50.51 C ATOM 440 O ALA A 28 39.727 27.464 12.372 1.00 49.49 O ATOM 441 CB ALA A 28 39.333 24.408 13.661 1.00 49.73 C ATOM 0 H ALA A 28 37.015 24.908 14.453 1.00 49.53 H new ATOM 0 HA ALA A 28 39.532 26.293 14.639 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.332 24.451 13.228 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.366 23.846 14.594 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.656 23.914 12.964 1.00 49.73 H new ATOM 447 N LYS A 29 37.741 26.522 11.852 1.00 49.53 N ATOM 448 CA LYS A 29 37.589 27.352 10.639 1.00 50.07 C ATOM 449 C LYS A 29 37.651 28.849 10.999 1.00 50.51 C ATOM 450 O LYS A 29 38.287 29.689 10.317 1.00 49.49 O ATOM 451 CB LYS A 29 36.273 27.032 9.928 1.00 49.82 C ATOM 452 CG LYS A 29 36.136 27.659 8.547 1.00 49.82 C ATOM 453 CD LYS A 29 37.196 27.130 7.592 1.00 49.82 C ATOM 454 CE LYS A 29 36.847 27.450 6.145 1.00 50.21 C ATOM 455 NZ LYS A 29 36.895 28.911 5.871 1.00 49.70 N ATOM 0 H LYS A 29 36.986 25.852 12.001 1.00 49.53 H new ATOM 0 HA LYS A 29 38.412 27.122 9.962 1.00 50.07 H new ATOM 0 HB2 LYS A 29 36.179 25.950 9.834 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.446 27.371 10.551 1.00 49.82 H new ATOM 0 HG2 LYS A 29 35.145 27.448 8.146 1.00 49.82 H new ATOM 0 HG3 LYS A 29 36.224 28.743 8.627 1.00 49.82 H new ATOM 0 HD2 LYS A 29 38.163 27.568 7.840 1.00 49.82 H new ATOM 0 HD3 LYS A 29 37.293 26.051 7.715 1.00 49.82 H new ATOM 0 HE2 LYS A 29 37.541 26.934 5.482 1.00 50.21 H new ATOM 0 HE3 LYS A 29 35.850 27.071 5.920 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 36.651 29.086 4.875 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 36.214 29.402 6.485 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 37.853 29.268 6.061 1.00 49.70 H new ATOM 469 N ILE A 30 37.036 29.193 12.131 1.00 49.53 N ATOM 470 CA ILE A 30 37.042 30.604 12.560 1.00 50.07 C ATOM 471 C ILE A 30 38.432 31.069 13.016 1.00 50.51 C ATOM 472 O ILE A 30 38.866 32.184 12.644 1.00 49.49 O ATOM 473 CB ILE A 30 36.036 30.847 13.700 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.602 30.789 13.167 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.305 32.185 14.371 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.546 30.908 14.243 1.00 49.73 C ATOM 0 H ILE A 30 36.544 28.549 12.750 1.00 49.53 H new ATOM 0 HA ILE A 30 36.751 31.185 11.685 1.00 50.07 H new ATOM 0 HB ILE A 30 36.158 30.060 14.444 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.461 31.591 12.442 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.460 29.849 12.634 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.585 32.341 15.174 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.314 32.189 14.783 1.00 49.73 H new ATOM 0 HG23 ILE A 30 36.209 32.986 13.638 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.556 30.858 13.789 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.659 30.091 14.956 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.660 31.860 14.761 1.00 49.73 H new ATOM 488 N GLN A 31 39.095 30.319 13.860 1.00 49.53 N ATOM 489 CA GLN A 31 40.455 30.768 14.294 1.00 50.07 C ATOM 490 C GLN A 31 41.283 31.202 13.072 1.00 50.51 C ATOM 491 O GLN A 31 42.112 32.141 13.049 1.00 49.49 O ATOM 492 CB GLN A 31 41.181 29.646 15.043 1.00 49.82 C ATOM 493 CG GLN A 31 42.497 30.068 15.672 1.00 49.82 C ATOM 494 CD GLN A 31 43.171 28.935 16.421 1.00 50.55 C ATOM 495 OE1 GLN A 31 42.693 27.796 16.412 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.284 29.239 17.079 1.00 49.38 N ATOM 0 H GLN A 31 38.767 29.439 14.259 1.00 49.53 H new ATOM 0 HA GLN A 31 40.338 31.617 14.968 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.525 29.262 15.824 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.369 28.825 14.351 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.167 30.435 14.894 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.320 30.897 16.357 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.644 30.193 17.059 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.779 28.518 17.604 1.00 49.38 H new ATOM 505 N ASP A 32 41.084 30.455 12.011 1.00 49.53 N ATOM 506 CA ASP A 32 41.790 30.750 10.743 1.00 50.07 C ATOM 507 C ASP A 32 41.762 32.251 10.548 1.00 50.51 C ATOM 508 O ASP A 32 42.793 32.963 10.549 1.00 49.49 O ATOM 509 CB ASP A 32 41.125 30.037 9.564 1.00 49.72 C ATOM 510 CG ASP A 32 41.369 28.534 9.518 1.00 50.62 C ATOM 511 OD1 ASP A 32 42.209 28.067 10.251 1.00 49.24 O ATOM 512 OD2 ASP A 32 40.612 27.850 8.873 1.00 49.24 O ATOM 0 H ASP A 32 40.457 29.651 11.978 1.00 49.53 H new ATOM 0 HA ASP A 32 42.818 30.389 10.791 1.00 50.07 H new ATOM 0 HB2 ASP A 32 40.051 30.217 9.605 1.00 49.72 H new ATOM 0 HB3 ASP A 32 41.487 30.480 8.636 1.00 49.72 H new ATOM 517 N LYS A 33 40.563 32.826 10.341 1.00 49.53 N ATOM 518 CA LYS A 33 40.567 34.286 10.052 1.00 50.07 C ATOM 519 C LYS A 33 40.423 35.220 11.201 1.00 50.51 C ATOM 520 O LYS A 33 41.280 36.166 11.285 1.00 49.49 O ATOM 521 CB LYS A 33 39.483 34.603 9.021 1.00 49.82 C ATOM 522 CG LYS A 33 39.636 33.862 7.699 1.00 49.82 C ATOM 523 CD LYS A 33 38.725 34.446 6.630 1.00 49.82 C ATOM 524 CE LYS A 33 37.264 34.133 6.914 1.00 50.21 C ATOM 525 NZ LYS A 33 36.365 34.660 5.851 1.00 49.70 N ATOM 0 H LYS A 33 39.654 32.363 10.362 1.00 49.53 H new ATOM 0 HA LYS A 33 41.578 34.468 9.687 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.510 34.361 9.449 1.00 49.82 H new ATOM 0 HB3 LYS A 33 39.487 35.675 8.825 1.00 49.82 H new ATOM 0 HG2 LYS A 33 40.673 33.917 7.366 1.00 49.82 H new ATOM 0 HG3 LYS A 33 39.403 32.807 7.842 1.00 49.82 H new ATOM 0 HD2 LYS A 33 38.864 35.526 6.581 1.00 49.82 H new ATOM 0 HD3 LYS A 33 39.002 34.045 5.655 1.00 49.82 H new ATOM 0 HE2 LYS A 33 37.134 33.054 6.997 1.00 50.21 H new ATOM 0 HE3 LYS A 33 36.981 34.563 7.875 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 35.379 34.425 6.083 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 36.470 35.693 5.788 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 36.618 34.230 4.938 1.00 49.70 H new ATOM 539 N GLU A 34 39.551 35.046 12.155 1.00 49.53 N ATOM 540 CA GLU A 34 39.372 35.920 13.292 1.00 50.07 C ATOM 541 C GLU A 34 40.527 35.768 14.250 1.00 50.51 C ATOM 542 O GLU A 34 40.694 36.606 15.142 1.00 49.49 O ATOM 543 CB GLU A 34 38.050 35.620 14.002 1.00 49.82 C ATOM 544 CG GLU A 34 36.824 35.687 13.103 1.00 49.72 C ATOM 545 CD GLU A 34 36.615 37.077 12.567 1.00 50.62 C ATOM 546 OE1 GLU A 34 37.294 37.972 13.009 1.00 49.24 O ATOM 547 OE2 GLU A 34 35.858 37.226 11.637 1.00 49.24 O ATOM 0 H GLU A 34 38.911 34.252 12.165 1.00 49.53 H new ATOM 0 HA GLU A 34 39.343 36.950 12.935 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.107 34.626 14.445 1.00 49.82 H new ATOM 0 HB3 GLU A 34 37.923 36.327 14.822 1.00 49.82 H new ATOM 0 HG2 GLU A 34 36.940 34.989 12.274 1.00 49.72 H new ATOM 0 HG3 GLU A 34 35.942 35.374 13.663 1.00 49.72 H new ATOM 554 N GLY A 35 41.278 34.685 14.138 1.00 49.53 N ATOM 555 CA GLY A 35 42.448 34.460 14.944 1.00 49.98 C ATOM 556 C GLY A 35 41.991 34.275 16.336 1.00 50.51 C ATOM 557 O GLY A 35 42.732 34.620 17.295 1.00 49.49 O ATOM 0 H GLY A 35 41.083 33.934 13.475 1.00 49.53 H new ATOM 0 HA2 GLY A 35 42.991 33.581 14.597 1.00 49.98 H new ATOM 0 HA3 GLY A 35 43.132 35.305 14.873 1.00 49.98 H new ATOM 561 N ILE A 36 40.793 33.697 16.534 1.00 49.53 N ATOM 562 CA ILE A 36 40.320 33.498 17.912 1.00 50.07 C ATOM 563 C ILE A 36 40.393 32.036 18.318 1.00 50.51 C ATOM 564 O ILE A 36 39.745 31.172 17.699 1.00 49.49 O ATOM 565 CB ILE A 36 38.876 33.999 18.091 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.773 35.478 17.713 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.410 33.778 19.523 1.00 49.73 C ATOM 568 CD1 ILE A 36 39.501 36.404 18.661 1.00 49.73 C ATOM 0 H ILE A 36 40.164 33.375 15.799 1.00 49.53 H new ATOM 0 HA ILE A 36 40.980 34.080 18.555 1.00 50.07 H new ATOM 0 HB ILE A 36 38.226 33.429 17.427 1.00 49.91 H new ATOM 0 HG12 ILE A 36 39.173 35.615 16.708 1.00 49.82 H new ATOM 0 HG13 ILE A 36 37.721 35.762 17.679 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.387 34.138 19.632 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.448 32.714 19.758 1.00 49.73 H new ATOM 0 HG23 ILE A 36 39.061 34.323 20.206 1.00 49.73 H new ATOM 0 HD11 ILE A 36 39.382 37.434 18.326 1.00 49.73 H new ATOM 0 HD12 ILE A 36 39.087 36.298 19.663 1.00 49.73 H new ATOM 0 HD13 ILE A 36 40.560 36.148 18.677 1.00 49.73 H new ATOM 580 N PRO A 37 41.154 31.737 19.365 1.00 49.71 N ATOM 581 CA PRO A 37 41.294 30.370 19.896 1.00 50.02 C ATOM 582 C PRO A 37 39.940 29.795 20.271 1.00 50.51 C ATOM 583 O PRO A 37 39.145 30.519 20.925 1.00 49.49 O ATOM 584 CB PRO A 37 42.127 30.648 21.184 1.00 49.82 C ATOM 585 CG PRO A 37 42.963 31.836 20.808 1.00 49.82 C ATOM 586 CD PRO A 37 41.947 32.744 20.131 1.00 50.00 C ATOM 0 HA PRO A 37 41.737 29.659 19.199 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.486 30.862 22.039 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.745 29.792 21.456 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.414 32.309 21.680 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.777 31.564 20.136 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.338 33.293 20.849 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.418 33.482 19.482 1.00 50.00 H new ATOM 594 N PRO A 38 39.670 28.554 19.947 1.00 49.71 N ATOM 595 CA PRO A 38 38.364 27.959 20.278 1.00 50.02 C ATOM 596 C PRO A 38 38.040 28.006 21.747 1.00 50.51 C ATOM 597 O PRO A 38 36.857 28.128 22.166 1.00 49.49 O ATOM 598 CB PRO A 38 38.447 26.558 19.683 1.00 49.82 C ATOM 599 CG PRO A 38 39.412 26.737 18.514 1.00 49.82 C ATOM 600 CD PRO A 38 40.506 27.611 19.163 1.00 50.00 C ATOM 0 HA PRO A 38 37.526 28.518 19.861 1.00 50.02 H new ATOM 0 HB2 PRO A 38 38.820 25.834 20.407 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.472 26.203 19.350 1.00 49.82 H new ATOM 0 HG2 PRO A 38 39.804 25.786 18.154 1.00 49.82 H new ATOM 0 HG3 PRO A 38 38.942 27.230 17.663 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.180 27.031 19.794 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.123 28.121 18.423 1.00 50.00 H new ATOM 608 N ASP A 39 39.031 27.919 22.601 1.00 49.53 N ATOM 609 CA ASP A 39 38.786 27.901 24.068 1.00 50.07 C ATOM 610 C ASP A 39 38.213 29.233 24.537 1.00 50.51 C ATOM 611 O ASP A 39 37.632 29.371 25.650 1.00 49.49 O ATOM 612 CB ASP A 39 40.077 27.586 24.827 1.00 49.72 C ATOM 613 CG ASP A 39 40.540 26.140 24.706 1.00 50.62 C ATOM 614 OD1 ASP A 39 39.856 25.368 24.077 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.643 25.855 25.108 1.00 49.24 O ATOM 0 H ASP A 39 40.014 27.859 22.334 1.00 49.53 H new ATOM 0 HA ASP A 39 38.058 27.118 24.278 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.868 28.240 24.461 1.00 49.72 H new ATOM 0 HB3 ASP A 39 39.931 27.821 25.881 1.00 49.72 H new ATOM 620 N GLN A 40 38.260 30.235 23.676 1.00 49.53 N ATOM 621 CA GLN A 40 37.696 31.554 24.051 1.00 50.07 C ATOM 622 C GLN A 40 36.331 31.856 23.404 1.00 50.51 C ATOM 623 O GLN A 40 35.827 32.959 23.573 1.00 49.49 O ATOM 624 CB GLN A 40 38.682 32.668 23.690 1.00 49.82 C ATOM 625 CG GLN A 40 40.001 32.599 24.440 1.00 49.82 C ATOM 626 CD GLN A 40 40.864 33.825 24.207 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.475 34.748 23.486 1.00 49.45 O ATOM 628 NE2 GLN A 40 42.045 33.840 24.815 1.00 49.38 N ATOM 0 H GLN A 40 38.664 30.183 22.741 1.00 49.53 H new ATOM 0 HA GLN A 40 37.532 31.514 25.128 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.883 32.627 22.619 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.213 33.632 23.890 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.804 32.494 25.507 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.547 31.709 24.128 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.326 33.055 25.402 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.671 34.637 24.695 1.00 49.38 H new ATOM 637 N GLN A 41 35.733 30.887 22.747 1.00 49.53 N ATOM 638 CA GLN A 41 34.478 31.048 22.054 1.00 50.07 C ATOM 639 C GLN A 41 33.419 30.259 22.794 1.00 50.51 C ATOM 640 O GLN A 41 33.536 29.090 23.126 1.00 49.49 O ATOM 641 CB GLN A 41 34.587 30.561 20.607 1.00 49.82 C ATOM 642 CG GLN A 41 35.457 31.434 19.719 1.00 49.82 C ATOM 643 CD GLN A 41 35.751 30.786 18.379 1.00 50.55 C ATOM 644 OE1 GLN A 41 34.932 30.836 17.457 1.00 49.45 O ATOM 645 NE2 GLN A 41 36.922 30.170 18.266 1.00 49.38 N ATOM 0 H GLN A 41 36.116 29.944 22.679 1.00 49.53 H new ATOM 0 HA GLN A 41 34.210 32.104 22.028 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.988 29.548 20.606 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.587 30.508 20.177 1.00 49.82 H new ATOM 0 HG2 GLN A 41 34.960 32.390 19.556 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.396 31.646 20.231 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.568 30.154 19.055 1.00 49.38 H new ATOM 0 HE22 GLN A 41 37.175 29.713 17.390 1.00 49.38 H new ATOM 654 N ARG A 42 32.243 30.875 22.900 1.00 49.53 N ATOM 655 CA ARG A 42 31.041 30.167 23.446 1.00 50.07 C ATOM 656 C ARG A 42 29.955 30.299 22.401 1.00 50.51 C ATOM 657 O ARG A 42 29.759 31.482 21.910 1.00 49.49 O ATOM 658 CB ARG A 42 30.608 30.700 24.803 1.00 49.82 C ATOM 659 CG ARG A 42 29.262 30.186 25.292 1.00 49.82 C ATOM 660 CD ARG A 42 28.863 30.690 26.631 1.00 50.20 C ATOM 661 NE ARG A 42 29.721 30.253 27.720 1.00 49.30 N ATOM 662 CZ ARG A 42 29.639 30.702 28.988 1.00 50.64 C ATOM 663 NH1 ARG A 42 28.768 31.628 29.322 1.00 49.20 N ATOM 664 NH2 ARG A 42 30.474 30.205 29.882 1.00 49.20 N ATOM 0 H ARG A 42 32.077 31.844 22.626 1.00 49.53 H new ATOM 0 HA ARG A 42 31.272 29.118 23.634 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.369 30.441 25.539 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.569 31.788 24.754 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.496 30.465 24.569 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.291 29.097 25.321 1.00 49.82 H new ATOM 0 HD2 ARG A 42 28.854 31.780 26.607 1.00 50.20 H new ATOM 0 HD3 ARG A 42 27.843 30.367 26.837 1.00 50.20 H new ATOM 0 HE ARG A 42 30.436 29.557 27.509 1.00 49.30 H new ATOM 0 HH11 ARG A 42 28.142 32.017 28.617 1.00 49.20 H new ATOM 0 HH12 ARG A 42 28.718 31.957 30.286 1.00 49.20 H new ATOM 0 HH21 ARG A 42 31.158 29.500 29.605 1.00 49.20 H new ATOM 0 HH22 ARG A 42 30.435 30.526 30.850 1.00 49.20 H new ATOM 678 N LEU A 43 29.317 29.208 21.980 1.00 49.53 N ATOM 679 CA LEU A 43 28.283 29.288 20.917 1.00 50.07 C ATOM 680 C LEU A 43 26.882 29.329 21.516 1.00 50.51 C ATOM 681 O LEU A 43 26.486 28.359 22.178 1.00 49.49 O ATOM 682 CB LEU A 43 28.419 28.103 19.954 1.00 49.82 C ATOM 683 CG LEU A 43 29.486 28.265 18.863 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.865 27.963 19.433 1.00 49.73 C ATOM 685 CD2 LEU A 43 29.168 27.340 17.698 1.00 49.73 C ATOM 0 H LEU A 43 29.484 28.269 22.342 1.00 49.53 H new ATOM 0 HA LEU A 43 28.438 30.213 20.361 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.648 27.209 20.534 1.00 49.82 H new ATOM 0 HB3 LEU A 43 27.455 27.933 19.474 1.00 49.82 H new ATOM 0 HG LEU A 43 29.484 29.294 18.503 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.616 28.081 18.651 1.00 49.73 H new ATOM 0 HD12 LEU A 43 31.080 28.652 20.249 1.00 49.73 H new ATOM 0 HD13 LEU A 43 30.888 26.939 19.807 1.00 49.73 H new ATOM 0 HD21 LEU A 43 29.926 27.456 16.924 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.159 26.307 18.046 1.00 49.73 H new ATOM 0 HD23 LEU A 43 28.190 27.593 17.289 1.00 49.73 H new ATOM 697 N ILE A 44 26.214 30.466 21.351 1.00 49.53 N ATOM 698 CA ILE A 44 24.884 30.692 21.904 1.00 50.07 C ATOM 699 C ILE A 44 23.874 30.660 20.763 1.00 50.51 C ATOM 700 O ILE A 44 23.952 31.401 19.805 1.00 49.49 O ATOM 701 CB ILE A 44 24.789 32.041 22.640 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.819 32.108 23.770 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.384 32.254 23.183 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.727 30.958 24.747 1.00 49.73 C ATOM 0 H ILE A 44 26.582 31.260 20.827 1.00 49.53 H new ATOM 0 HA ILE A 44 24.674 29.908 22.632 1.00 50.07 H new ATOM 0 HB ILE A 44 25.006 32.838 21.929 1.00 49.91 H new ATOM 0 HG12 ILE A 44 26.819 32.126 23.337 1.00 49.82 H new ATOM 0 HG13 ILE A 44 25.690 33.045 24.312 1.00 49.82 H new ATOM 0 HG21 ILE A 44 23.335 33.212 23.700 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.671 32.250 22.359 1.00 49.73 H new ATOM 0 HG23 ILE A 44 23.138 31.453 23.880 1.00 49.73 H new ATOM 0 HD11 ILE A 44 26.488 31.074 25.519 1.00 49.73 H new ATOM 0 HD12 ILE A 44 24.740 30.951 25.209 1.00 49.73 H new ATOM 0 HD13 ILE A 44 25.887 30.018 24.219 1.00 49.73 H new ATOM 716 N PHE A 45 22.849 29.783 20.941 1.00 49.53 N ATOM 717 CA PHE A 45 21.760 29.663 19.958 1.00 50.07 C ATOM 718 C PHE A 45 20.508 29.033 20.598 1.00 50.51 C ATOM 719 O PHE A 45 20.529 27.927 21.136 1.00 49.49 O ATOM 720 CB PHE A 45 22.213 28.833 18.756 1.00 49.82 C ATOM 721 CG PHE A 45 21.194 28.754 17.656 1.00 50.00 C ATOM 722 CD1 PHE A 45 21.025 29.806 16.769 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.400 27.627 17.505 1.00 49.88 C ATOM 724 CE1 PHE A 45 20.088 29.735 15.756 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.463 27.551 16.493 1.00 49.88 C ATOM 726 CZ PHE A 45 19.307 28.608 15.618 1.00 49.88 C ATOM 0 H PHE A 45 22.762 29.162 21.746 1.00 49.53 H new ATOM 0 HA PHE A 45 21.503 30.665 19.616 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.133 29.261 18.357 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.450 27.824 19.092 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.634 30.692 16.871 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.516 26.798 18.188 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.968 30.563 15.073 1.00 49.88 H new ATOM 0 HE2 PHE A 45 18.853 26.666 16.386 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.574 28.551 14.827 1.00 49.88 H new ATOM 736 N ALA A 46 19.470 29.833 20.547 1.00 49.53 N ATOM 737 CA ALA A 46 18.131 29.452 21.038 1.00 50.07 C ATOM 738 C ALA A 46 18.179 29.070 22.510 1.00 50.51 C ATOM 739 O ALA A 46 17.619 28.051 22.940 1.00 49.49 O ATOM 740 CB ALA A 46 17.576 28.329 20.222 1.00 49.73 C ATOM 0 H ALA A 46 19.512 30.777 20.164 1.00 49.53 H new ATOM 0 HA ALA A 46 17.473 30.315 20.935 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.588 28.060 20.597 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.496 28.641 19.181 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.238 27.466 20.293 1.00 49.73 H new ATOM 746 N GLY A 47 18.879 29.878 23.251 1.00 49.53 N ATOM 747 CA GLY A 47 19.131 29.802 24.659 1.00 49.98 C ATOM 748 C GLY A 47 19.859 28.526 24.994 1.00 50.51 C ATOM 749 O GLY A 47 20.056 28.223 26.193 1.00 49.49 O ATOM 0 H GLY A 47 19.335 30.692 22.839 1.00 49.53 H new ATOM 0 HA2 GLY A 47 19.724 30.660 24.976 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.189 29.845 25.206 1.00 49.98 H new ATOM 753 N LYS A 48 20.309 27.799 24.009 1.00 49.53 N ATOM 754 CA LYS A 48 21.074 26.563 24.225 1.00 50.07 C ATOM 755 C LYS A 48 22.578 26.727 23.938 1.00 50.51 C ATOM 756 O LYS A 48 22.913 27.373 22.957 1.00 49.49 O ATOM 757 CB LYS A 48 20.504 25.433 23.367 1.00 49.82 C ATOM 758 CG LYS A 48 21.029 24.049 23.721 1.00 49.82 C ATOM 759 CD LYS A 48 20.261 22.960 22.985 1.00 49.82 C ATOM 760 CE LYS A 48 20.820 21.580 23.297 1.00 50.21 C ATOM 761 NZ LYS A 48 20.057 20.502 22.611 1.00 49.70 N ATOM 0 H LYS A 48 20.165 28.031 23.026 1.00 49.53 H new ATOM 0 HA LYS A 48 20.976 26.317 25.282 1.00 50.07 H new ATOM 0 HB2 LYS A 48 19.418 25.432 23.464 1.00 49.82 H new ATOM 0 HB3 LYS A 48 20.731 25.638 22.321 1.00 49.82 H new ATOM 0 HG2 LYS A 48 22.087 23.984 23.469 1.00 49.82 H new ATOM 0 HG3 LYS A 48 20.947 23.891 24.796 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.209 23.000 23.267 1.00 49.82 H new ATOM 0 HD3 LYS A 48 20.310 23.140 21.911 1.00 49.82 H new ATOM 0 HE2 LYS A 48 21.865 21.535 22.992 1.00 50.21 H new ATOM 0 HE3 LYS A 48 20.795 21.413 24.374 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 20.470 19.578 22.850 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 19.065 20.528 22.921 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 20.102 20.646 21.582 1.00 49.70 H new ATOM 775 N GLN A 49 23.419 26.151 24.754 1.00 49.53 N ATOM 776 CA GLN A 49 24.880 26.171 24.462 1.00 50.07 C ATOM 777 C GLN A 49 25.152 24.867 23.717 1.00 50.51 C ATOM 778 O GLN A 49 24.759 23.788 24.232 1.00 49.49 O ATOM 779 CB GLN A 49 25.707 26.246 25.748 1.00 49.82 C ATOM 780 CG GLN A 49 25.645 24.991 26.602 1.00 49.82 C ATOM 781 CD GLN A 49 26.651 25.012 27.737 1.00 50.55 C ATOM 782 OE1 GLN A 49 27.848 24.794 27.528 1.00 49.45 O ATOM 783 NE2 GLN A 49 26.170 25.272 28.946 1.00 49.38 N ATOM 0 H GLN A 49 23.156 25.666 25.612 1.00 49.53 H new ATOM 0 HA GLN A 49 25.160 27.046 23.876 1.00 50.07 H new ATOM 0 HB2 GLN A 49 26.747 26.443 25.487 1.00 49.82 H new ATOM 0 HB3 GLN A 49 25.361 27.093 26.341 1.00 49.82 H new ATOM 0 HG2 GLN A 49 24.641 24.884 27.012 1.00 49.82 H new ATOM 0 HG3 GLN A 49 25.828 24.119 25.974 1.00 49.82 H new ATOM 0 HE21 GLN A 49 25.173 25.446 29.072 1.00 49.38 H new ATOM 0 HE22 GLN A 49 26.797 25.298 29.750 1.00 49.38 H new ATOM 792 N LEU A 50 25.748 24.939 22.551 1.00 49.53 N ATOM 793 CA LEU A 50 25.981 23.754 21.709 1.00 50.07 C ATOM 794 C LEU A 50 27.127 22.923 22.259 1.00 50.51 C ATOM 795 O LEU A 50 27.896 23.461 23.032 1.00 49.49 O ATOM 796 CB LEU A 50 26.268 24.177 20.264 1.00 49.82 C ATOM 797 CG LEU A 50 25.126 24.922 19.561 1.00 49.91 C ATOM 798 CD1 LEU A 50 25.632 25.554 18.271 1.00 49.73 C ATOM 799 CD2 LEU A 50 23.987 23.955 19.277 1.00 49.73 C ATOM 0 H LEU A 50 26.090 25.810 22.146 1.00 49.53 H new ATOM 0 HA LEU A 50 25.080 23.140 21.719 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.153 24.813 20.258 1.00 49.82 H new ATOM 0 HB3 LEU A 50 26.511 23.287 19.684 1.00 49.82 H new ATOM 0 HG LEU A 50 24.757 25.717 20.209 1.00 49.91 H new ATOM 0 HD11 LEU A 50 24.814 26.081 17.779 1.00 49.73 H new ATOM 0 HD12 LEU A 50 26.432 26.258 18.500 1.00 49.73 H new ATOM 0 HD13 LEU A 50 26.013 24.776 17.609 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.176 24.485 18.778 1.00 49.73 H new ATOM 0 HD22 LEU A 50 24.345 23.150 18.635 1.00 49.73 H new ATOM 0 HD23 LEU A 50 23.623 23.536 20.215 1.00 49.73 H new ATOM 811 N GLU A 51 27.229 21.663 21.834 1.00 49.53 N ATOM 812 CA GLU A 51 28.287 20.775 22.361 1.00 50.07 C ATOM 813 C GLU A 51 29.464 20.647 21.433 1.00 50.51 C ATOM 814 O GLU A 51 29.273 20.660 20.219 1.00 49.49 O ATOM 815 CB GLU A 51 27.713 19.389 22.663 1.00 49.82 C ATOM 816 CG GLU A 51 26.606 19.382 23.707 1.00 49.72 C ATOM 817 CD GLU A 51 27.122 19.806 25.054 1.00 50.62 C ATOM 818 OE1 GLU A 51 28.310 19.974 25.187 1.00 49.24 O ATOM 819 OE2 GLU A 51 26.321 20.070 25.918 1.00 49.24 O ATOM 0 H GLU A 51 26.613 21.234 21.144 1.00 49.53 H new ATOM 0 HA GLU A 51 28.652 21.236 23.279 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.327 18.960 21.739 1.00 49.82 H new ATOM 0 HB3 GLU A 51 28.521 18.741 23.003 1.00 49.82 H new ATOM 0 HG2 GLU A 51 25.805 20.052 23.395 1.00 49.72 H new ATOM 0 HG3 GLU A 51 26.177 18.383 23.778 1.00 49.72 H new ATOM 826 N ASP A 52 30.673 20.535 21.928 1.00 49.53 N ATOM 827 CA ASP A 52 31.915 20.489 21.164 1.00 50.07 C ATOM 828 C ASP A 52 32.028 19.467 20.046 1.00 50.51 C ATOM 829 O ASP A 52 32.392 19.863 18.902 1.00 49.49 O ATOM 830 CB ASP A 52 33.093 20.301 22.123 1.00 49.72 C ATOM 831 CG ASP A 52 33.416 21.524 22.970 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.494 22.598 22.423 1.00 49.24 O ATOM 833 OD2 ASP A 52 33.427 21.403 24.172 1.00 49.24 O ATOM 0 H ASP A 52 30.835 20.469 22.933 1.00 49.53 H new ATOM 0 HA ASP A 52 31.924 21.447 20.645 1.00 50.07 H new ATOM 0 HB2 ASP A 52 32.876 19.463 22.785 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.977 20.031 21.545 1.00 49.72 H new ATOM 838 N GLY A 53 31.830 18.204 20.347 1.00 49.53 N ATOM 839 CA GLY A 53 31.961 17.088 19.392 1.00 49.98 C ATOM 840 C GLY A 53 30.712 16.690 18.678 1.00 50.51 C ATOM 841 O GLY A 53 30.698 15.693 17.920 1.00 49.49 O ATOM 0 H GLY A 53 31.566 17.899 21.284 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.711 17.358 18.649 1.00 49.98 H new ATOM 0 HA3 GLY A 53 32.342 16.219 19.929 1.00 49.98 H new ATOM 845 N ARG A 54 29.614 17.418 18.838 1.00 49.53 N ATOM 846 CA ARG A 54 28.363 17.130 18.107 1.00 50.07 C ATOM 847 C ARG A 54 28.417 18.034 16.884 1.00 50.51 C ATOM 848 O ARG A 54 29.113 19.070 16.891 1.00 49.49 O ATOM 849 CB ARG A 54 27.113 17.351 18.947 1.00 49.82 C ATOM 850 CG ARG A 54 26.968 16.413 20.134 1.00 49.82 C ATOM 851 CD ARG A 54 25.696 16.568 20.886 1.00 50.20 C ATOM 852 NE ARG A 54 25.586 15.728 22.068 1.00 49.30 N ATOM 853 CZ ARG A 54 24.547 15.744 22.924 1.00 50.64 C ATOM 854 NH1 ARG A 54 23.543 16.578 22.757 1.00 49.20 N ATOM 855 NH2 ARG A 54 24.573 14.914 23.953 1.00 49.20 N ATOM 0 H ARG A 54 29.554 18.218 19.468 1.00 49.53 H new ATOM 0 HA ARG A 54 28.294 16.077 17.833 1.00 50.07 H new ATOM 0 HB2 ARG A 54 27.114 18.378 19.312 1.00 49.82 H new ATOM 0 HB3 ARG A 54 26.238 17.241 18.306 1.00 49.82 H new ATOM 0 HG2 ARG A 54 27.044 15.385 19.781 1.00 49.82 H new ATOM 0 HG3 ARG A 54 27.802 16.578 20.816 1.00 49.82 H new ATOM 0 HD2 ARG A 54 25.591 17.611 21.186 1.00 50.20 H new ATOM 0 HD3 ARG A 54 24.864 16.344 20.218 1.00 50.20 H new ATOM 0 HE ARG A 54 26.350 15.081 22.262 1.00 49.30 H new ATOM 0 HH11 ARG A 54 23.544 17.226 21.969 1.00 49.20 H new ATOM 0 HH12 ARG A 54 22.764 16.576 23.415 1.00 49.20 H new ATOM 0 HH21 ARG A 54 25.366 14.285 24.081 1.00 49.20 H new ATOM 0 HH22 ARG A 54 23.800 14.903 24.619 1.00 49.20 H new ATOM 869 N THR A 55 27.631 17.716 15.886 1.00 49.53 N ATOM 870 CA THR A 55 27.505 18.512 14.644 1.00 50.07 C ATOM 871 C THR A 55 26.320 19.505 14.584 1.00 50.51 C ATOM 872 O THR A 55 25.519 19.571 15.509 1.00 49.49 O ATOM 873 CB THR A 55 27.418 17.590 13.413 1.00 50.14 C ATOM 874 OG1 THR A 55 26.231 16.790 13.494 1.00 49.34 O ATOM 875 CG2 THR A 55 28.634 16.679 13.343 1.00 49.73 C ATOM 0 H THR A 55 27.040 16.884 15.893 1.00 49.53 H new ATOM 0 HA THR A 55 28.410 19.119 14.643 1.00 50.07 H new ATOM 0 HB THR A 55 27.387 18.209 12.516 1.00 50.14 H new ATOM 0 HG1 THR A 55 26.176 16.205 12.709 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.556 16.035 12.467 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.538 17.284 13.269 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.681 16.065 14.242 1.00 49.73 H new ATOM 883 N LEU A 56 26.246 20.233 13.488 1.00 49.53 N ATOM 884 CA LEU A 56 25.147 21.182 13.245 1.00 50.07 C ATOM 885 C LEU A 56 23.848 20.545 12.757 1.00 50.51 C ATOM 886 O LEU A 56 22.811 21.100 13.000 1.00 49.49 O ATOM 887 CB LEU A 56 25.602 22.254 12.246 1.00 49.82 C ATOM 888 CG LEU A 56 26.561 23.309 12.813 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.066 24.210 11.694 1.00 49.73 C ATOM 890 CD2 LEU A 56 25.848 24.125 13.881 1.00 49.73 C ATOM 0 H LEU A 56 26.935 20.194 12.737 1.00 49.53 H new ATOM 0 HA LEU A 56 24.915 21.620 14.216 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.087 21.761 11.404 1.00 49.82 H new ATOM 0 HB3 LEU A 56 24.720 22.761 11.854 1.00 49.82 H new ATOM 0 HG LEU A 56 27.419 22.813 13.266 1.00 49.91 H new ATOM 0 HD11 LEU A 56 27.746 24.956 12.106 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.593 23.609 10.953 1.00 49.73 H new ATOM 0 HD13 LEU A 56 26.221 24.711 11.221 1.00 49.73 H new ATOM 0 HD21 LEU A 56 26.531 24.874 14.283 1.00 49.73 H new ATOM 0 HD22 LEU A 56 24.982 24.621 13.442 1.00 49.73 H new ATOM 0 HD23 LEU A 56 25.520 23.465 14.684 1.00 49.73 H new ATOM 902 N SER A 57 23.936 19.328 12.182 1.00 49.53 N ATOM 903 CA SER A 57 22.676 18.712 11.697 1.00 50.07 C ATOM 904 C SER A 57 21.949 18.123 12.887 1.00 50.51 C ATOM 905 O SER A 57 20.686 18.007 12.872 1.00 49.49 O ATOM 906 CB SER A 57 22.967 17.646 10.659 1.00 50.05 C ATOM 907 OG SER A 57 23.344 18.200 9.428 1.00 49.34 O ATOM 0 H SER A 57 24.789 18.786 12.047 1.00 49.53 H new ATOM 0 HA SER A 57 22.051 19.467 11.220 1.00 50.07 H new ATOM 0 HB2 SER A 57 23.762 16.994 11.022 1.00 50.05 H new ATOM 0 HB3 SER A 57 22.083 17.024 10.521 1.00 50.05 H new ATOM 0 HG SER A 57 24.319 18.157 9.334 1.00 49.34 H new ATOM 913 N ASP A 58 22.685 17.763 13.923 1.00 49.53 N ATOM 914 CA ASP A 58 22.073 17.180 15.146 1.00 50.07 C ATOM 915 C ASP A 58 21.247 18.230 15.894 1.00 50.51 C ATOM 916 O ASP A 58 20.871 18.071 17.060 1.00 49.49 O ATOM 917 CB ASP A 58 23.152 16.604 16.066 1.00 49.72 C ATOM 918 CG ASP A 58 23.711 15.260 15.616 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.132 14.661 14.741 1.00 49.24 O ATOM 920 OD2 ASP A 58 24.790 14.918 16.036 1.00 49.24 O ATOM 0 H ASP A 58 23.700 17.855 13.961 1.00 49.53 H new ATOM 0 HA ASP A 58 21.409 16.372 14.839 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.971 17.319 16.137 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.737 16.494 17.068 1.00 49.72 H new ATOM 925 N TYR A 59 21.132 19.377 15.289 1.00 49.53 N ATOM 926 CA TYR A 59 20.376 20.512 15.815 1.00 50.07 C ATOM 927 C TYR A 59 19.417 21.016 14.762 1.00 50.51 C ATOM 928 O TYR A 59 18.728 22.019 15.035 1.00 49.49 O ATOM 929 CB TYR A 59 21.320 21.632 16.257 1.00 49.82 C ATOM 930 CG TYR A 59 22.194 21.268 17.437 1.00 50.00 C ATOM 931 CD1 TYR A 59 21.692 21.297 18.730 1.00 49.88 C ATOM 932 CD2 TYR A 59 23.519 20.898 17.256 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.485 20.966 19.811 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.322 20.564 18.330 1.00 49.88 C ATOM 935 CZ TYR A 59 23.800 20.600 19.607 1.00 50.11 C ATOM 936 OH TYR A 59 24.595 20.270 20.681 1.00 49.46 O ATOM 0 H TYR A 59 21.569 19.569 14.388 1.00 49.53 H new ATOM 0 HA TYR A 59 19.809 20.184 16.686 1.00 50.07 H new ATOM 0 HB2 TYR A 59 21.957 21.909 15.417 1.00 49.82 H new ATOM 0 HB3 TYR A 59 20.729 22.512 16.513 1.00 49.82 H new ATOM 0 HD1 TYR A 59 20.664 21.583 18.894 1.00 49.88 H new ATOM 0 HD2 TYR A 59 23.930 20.871 16.258 1.00 49.88 H new ATOM 0 HE1 TYR A 59 22.078 20.993 20.811 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.351 20.277 18.171 1.00 49.88 H new ATOM 0 HH TYR A 59 25.401 19.813 20.363 1.00 49.46 H new ATOM 946 N ASN A 60 19.242 20.374 13.627 1.00 49.53 N ATOM 947 CA ASN A 60 18.293 20.903 12.626 1.00 50.07 C ATOM 948 C ASN A 60 18.613 22.372 12.377 1.00 50.51 C ATOM 949 O ASN A 60 17.707 23.208 12.187 1.00 49.49 O ATOM 950 CB ASN A 60 16.852 20.736 13.071 1.00 49.82 C ATOM 951 CG ASN A 60 15.866 20.721 11.936 1.00 50.55 C ATOM 952 OD1 ASN A 60 16.026 19.982 10.958 1.00 49.45 O ATOM 953 ND2 ASN A 60 14.891 21.590 12.023 1.00 49.38 N ATOM 0 H ASN A 60 19.719 19.512 13.364 1.00 49.53 H new ATOM 0 HA ASN A 60 18.404 20.336 11.702 1.00 50.07 H new ATOM 0 HB2 ASN A 60 16.760 19.806 13.633 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.595 21.547 13.753 1.00 49.82 H new ATOM 0 HD21 ASN A 60 14.219 21.680 11.261 1.00 49.38 H new ATOM 0 HD22 ASN A 60 14.803 22.177 12.853 1.00 49.38 H new ATOM 960 N ILE A 61 19.885 22.713 12.385 1.00 49.53 N ATOM 961 CA ILE A 61 20.317 24.107 12.061 1.00 50.07 C ATOM 962 C ILE A 61 20.720 24.111 10.590 1.00 50.51 C ATOM 963 O ILE A 61 21.769 23.457 10.316 1.00 49.49 O ATOM 964 CB ILE A 61 21.502 24.566 12.931 1.00 49.91 C ATOM 965 CG1 ILE A 61 21.066 24.722 14.390 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.077 25.871 12.402 1.00 49.73 C ATOM 967 CD1 ILE A 61 22.178 25.152 15.318 1.00 49.73 C ATOM 0 H ILE A 61 20.648 22.073 12.606 1.00 49.53 H new ATOM 0 HA ILE A 61 19.500 24.800 12.262 1.00 50.07 H new ATOM 0 HB ILE A 61 22.280 23.804 12.884 1.00 49.91 H new ATOM 0 HG12 ILE A 61 20.259 25.453 14.442 1.00 49.82 H new ATOM 0 HG13 ILE A 61 20.659 23.774 14.741 1.00 49.82 H new ATOM 0 HG21 ILE A 61 22.913 26.181 13.029 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.424 25.727 11.379 1.00 49.73 H new ATOM 0 HG23 ILE A 61 21.306 26.642 12.419 1.00 49.73 H new ATOM 0 HD11 ILE A 61 21.791 25.241 16.333 1.00 49.73 H new ATOM 0 HD12 ILE A 61 22.976 24.410 15.298 1.00 49.73 H new ATOM 0 HD13 ILE A 61 22.570 26.116 14.994 1.00 49.73 H new ATOM 979 N GLN A 62 19.959 24.733 9.735 1.00 49.53 N ATOM 980 CA GLN A 62 20.211 24.749 8.264 1.00 50.07 C ATOM 981 C GLN A 62 20.670 26.029 7.561 1.00 50.51 C ATOM 982 O GLN A 62 20.733 27.095 8.200 1.00 49.49 O ATOM 983 CB GLN A 62 18.959 24.244 7.541 1.00 49.82 C ATOM 984 CG GLN A 62 18.503 22.863 7.978 1.00 49.82 C ATOM 985 CD GLN A 62 17.507 22.250 7.012 1.00 50.55 C ATOM 986 OE1 GLN A 62 17.876 21.794 5.925 1.00 49.45 O ATOM 987 NE2 GLN A 62 16.237 22.239 7.399 1.00 49.38 N ATOM 0 H GLN A 62 19.129 25.258 10.011 1.00 49.53 H new ATOM 0 HA GLN A 62 21.093 24.112 8.194 1.00 50.07 H new ATOM 0 HB2 GLN A 62 18.147 24.952 7.707 1.00 49.82 H new ATOM 0 HB3 GLN A 62 19.154 24.228 6.469 1.00 49.82 H new ATOM 0 HG2 GLN A 62 19.370 22.208 8.066 1.00 49.82 H new ATOM 0 HG3 GLN A 62 18.052 22.929 8.968 1.00 49.82 H new ATOM 0 HE21 GLN A 62 15.977 22.627 8.306 1.00 49.38 H new ATOM 0 HE22 GLN A 62 15.522 21.843 6.789 1.00 49.38 H new ATOM 996 N LYS A 63 20.990 25.947 6.271 1.00 49.53 N ATOM 997 CA LYS A 63 21.498 27.072 5.519 1.00 50.07 C ATOM 998 C LYS A 63 20.665 28.307 5.854 1.00 50.51 C ATOM 999 O LYS A 63 19.446 28.296 5.911 1.00 49.49 O ATOM 1000 CB LYS A 63 21.454 26.787 4.017 1.00 49.82 C ATOM 1001 CG LYS A 63 21.801 27.982 3.139 1.00 49.82 C ATOM 1002 CD LYS A 63 21.533 27.687 1.671 1.00 49.82 C ATOM 1003 CE LYS A 63 21.910 28.869 0.790 1.00 50.21 C ATOM 1004 NZ LYS A 63 21.654 28.595 -0.650 1.00 49.70 N ATOM 0 H LYS A 63 20.901 25.091 5.724 1.00 49.53 H new ATOM 0 HA LYS A 63 22.539 27.247 5.791 1.00 50.07 H new ATOM 0 HB2 LYS A 63 22.145 25.975 3.793 1.00 49.82 H new ATOM 0 HB3 LYS A 63 20.455 26.437 3.755 1.00 49.82 H new ATOM 0 HG2 LYS A 63 21.216 28.847 3.451 1.00 49.82 H new ATOM 0 HG3 LYS A 63 22.851 28.242 3.274 1.00 49.82 H new ATOM 0 HD2 LYS A 63 22.100 26.808 1.365 1.00 49.82 H new ATOM 0 HD3 LYS A 63 20.478 27.450 1.533 1.00 49.82 H new ATOM 0 HE2 LYS A 63 21.342 29.747 1.099 1.00 50.21 H new ATOM 0 HE3 LYS A 63 22.965 29.105 0.932 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 21.924 29.425 -1.215 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 22.215 27.773 -0.952 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 20.643 28.395 -0.791 1.00 49.70 H new ATOM 1018 N GLU A 64 21.423 29.382 6.114 1.00 49.53 N ATOM 1019 CA GLU A 64 20.925 30.690 6.450 1.00 50.07 C ATOM 1020 C GLU A 64 20.473 30.977 7.851 1.00 50.51 C ATOM 1021 O GLU A 64 19.627 31.870 8.112 1.00 49.49 O ATOM 1022 CB GLU A 64 19.786 31.051 5.493 1.00 49.82 C ATOM 1023 CG GLU A 64 19.329 32.500 5.579 1.00 49.72 C ATOM 1024 CD GLU A 64 17.867 32.631 5.255 1.00 50.62 C ATOM 1025 OE1 GLU A 64 17.223 31.624 5.084 1.00 49.24 O ATOM 1026 OE2 GLU A 64 17.368 33.732 5.288 1.00 49.24 O ATOM 0 H GLU A 64 22.442 29.344 6.090 1.00 49.53 H new ATOM 0 HA GLU A 64 21.819 31.306 6.353 1.00 50.07 H new ATOM 0 HB2 GLU A 64 20.106 30.844 4.472 1.00 49.82 H new ATOM 0 HB3 GLU A 64 18.935 30.401 5.699 1.00 49.82 H new ATOM 0 HG2 GLU A 64 19.517 32.884 6.581 1.00 49.72 H new ATOM 0 HG3 GLU A 64 19.913 33.109 4.889 1.00 49.72 H new ATOM 1033 N SER A 65 21.137 30.328 8.793 1.00 49.53 N ATOM 1034 CA SER A 65 20.931 30.547 10.230 1.00 50.07 C ATOM 1035 C SER A 65 22.060 31.421 10.826 1.00 50.51 C ATOM 1036 O SER A 65 23.150 31.486 10.271 1.00 49.49 O ATOM 1037 CB SER A 65 20.852 29.217 10.955 1.00 50.05 C ATOM 1038 OG SER A 65 19.733 28.470 10.562 1.00 49.34 O ATOM 0 H SER A 65 21.845 29.623 8.587 1.00 49.53 H new ATOM 0 HA SER A 65 19.989 31.078 10.363 1.00 50.07 H new ATOM 0 HB2 SER A 65 21.758 28.643 10.759 1.00 50.05 H new ATOM 0 HB3 SER A 65 20.812 29.392 12.030 1.00 50.05 H new ATOM 0 HG SER A 65 19.950 27.954 9.758 1.00 49.34 H new ATOM 1044 N THR A 66 21.776 32.094 11.910 1.00 49.53 N ATOM 1045 CA THR A 66 22.774 32.893 12.631 1.00 50.07 C ATOM 1046 C THR A 66 23.105 32.259 13.982 1.00 50.51 C ATOM 1047 O THR A 66 22.159 31.854 14.694 1.00 49.49 O ATOM 1048 CB THR A 66 22.288 34.337 12.856 1.00 50.14 C ATOM 1049 OG1 THR A 66 21.169 34.333 13.752 1.00 49.34 O ATOM 1050 CG2 THR A 66 21.875 34.972 11.537 1.00 49.73 C ATOM 0 H THR A 66 20.847 32.114 12.332 1.00 49.53 H new ATOM 0 HA THR A 66 23.670 32.918 12.011 1.00 50.07 H new ATOM 0 HB THR A 66 23.105 34.917 13.286 1.00 50.14 H new ATOM 0 HG1 THR A 66 21.209 33.536 14.321 1.00 49.34 H new ATOM 0 HG21 THR A 66 21.534 35.992 11.715 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.727 34.987 10.858 1.00 49.73 H new ATOM 0 HG23 THR A 66 21.067 34.392 11.091 1.00 49.73 H new ATOM 1058 N LEU A 67 24.396 32.113 14.299 1.00 49.53 N ATOM 1059 CA LEU A 67 24.780 31.612 15.624 1.00 50.07 C ATOM 1060 C LEU A 67 25.466 32.771 16.378 1.00 50.51 C ATOM 1061 O LEU A 67 26.315 33.389 15.716 1.00 49.49 O ATOM 1062 CB LEU A 67 25.718 30.405 15.499 1.00 49.82 C ATOM 1063 CG LEU A 67 25.228 29.292 14.565 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.174 28.101 14.630 1.00 49.73 C ATOM 1065 CD2 LEU A 67 23.816 28.881 14.959 1.00 49.73 C ATOM 0 H LEU A 67 25.174 32.328 13.676 1.00 49.53 H new ATOM 0 HA LEU A 67 23.901 31.274 16.173 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.688 30.754 15.145 1.00 49.82 H new ATOM 0 HB3 LEU A 67 25.874 29.982 16.491 1.00 49.82 H new ATOM 0 HG LEU A 67 25.213 29.660 13.539 1.00 49.91 H new ATOM 0 HD11 LEU A 67 25.817 27.316 13.963 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.172 28.412 14.323 1.00 49.73 H new ATOM 0 HD13 LEU A 67 26.211 27.721 15.651 1.00 49.73 H new ATOM 0 HD21 LEU A 67 23.469 28.090 14.295 1.00 49.73 H new ATOM 0 HD22 LEU A 67 23.816 28.518 15.987 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.151 29.741 14.878 1.00 49.73 H new ATOM 1077 N HIS A 68 25.110 32.992 17.592 1.00 49.53 N ATOM 1078 CA HIS A 68 25.781 34.068 18.364 1.00 50.07 C ATOM 1079 C HIS A 68 27.098 33.643 19.009 1.00 50.51 C ATOM 1080 O HIS A 68 27.131 32.711 19.839 1.00 49.49 O ATOM 1081 CB HIS A 68 24.837 34.614 19.441 1.00 49.92 C ATOM 1082 CG HIS A 68 25.440 35.703 20.272 1.00 50.22 C ATOM 1083 ND1 HIS A 68 25.363 35.717 21.649 1.00 49.30 N ATOM 1084 CD2 HIS A 68 26.129 36.814 19.921 1.00 49.95 C ATOM 1085 CE1 HIS A 68 25.980 36.792 22.109 1.00 50.25 C ATOM 1086 NE2 HIS A 68 26.453 37.473 21.082 1.00 49.64 N ATOM 0 H HIS A 68 24.384 32.480 18.093 1.00 49.53 H new ATOM 0 HA HIS A 68 26.027 34.843 17.639 1.00 50.07 H new ATOM 0 HB2 HIS A 68 23.934 34.992 18.962 1.00 49.92 H new ATOM 0 HB3 HIS A 68 24.533 33.796 20.094 1.00 49.92 H new ATOM 0 HD2 HIS A 68 26.377 37.124 18.917 1.00 49.95 H new ATOM 0 HE1 HIS A 68 26.080 37.066 23.149 1.00 50.25 H new ATOM 0 HE2 HIS A 68 26.975 38.347 21.141 1.00 49.64 H new ATOM 1094 N LEU A 69 28.170 34.346 18.685 1.00 49.53 N ATOM 1095 CA LEU A 69 29.476 34.092 19.287 1.00 50.07 C ATOM 1096 C LEU A 69 29.742 34.925 20.505 1.00 50.51 C ATOM 1097 O LEU A 69 29.746 36.200 20.364 1.00 49.49 O ATOM 1098 CB LEU A 69 30.582 34.315 18.248 1.00 49.82 C ATOM 1099 CG LEU A 69 32.012 34.294 18.803 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.325 32.923 19.387 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.993 34.645 17.694 1.00 49.73 C ATOM 0 H LEU A 69 28.165 35.104 18.003 1.00 49.53 H new ATOM 0 HA LEU A 69 29.471 33.053 19.616 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.496 33.547 17.479 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.412 35.275 17.760 1.00 49.82 H new ATOM 0 HG LEU A 69 32.104 35.033 19.599 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.342 32.918 19.778 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.625 32.702 20.193 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.232 32.166 18.608 1.00 49.73 H new ATOM 0 HD21 LEU A 69 34.009 34.630 18.089 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.906 33.917 16.888 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.768 35.640 17.310 1.00 49.73 H new ATOM 1113 N VAL A 70 29.874 34.350 21.655 1.00 49.53 N ATOM 1114 CA VAL A 70 30.246 35.125 22.873 1.00 50.07 C ATOM 1115 C VAL A 70 31.733 34.972 23.226 1.00 50.51 C ATOM 1116 O VAL A 70 32.250 33.833 23.200 1.00 49.49 O ATOM 1117 CB VAL A 70 29.399 34.704 24.088 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.934 35.345 25.360 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.941 35.081 23.877 1.00 49.73 C ATOM 0 H VAL A 70 29.738 33.352 21.814 1.00 49.53 H new ATOM 0 HA VAL A 70 30.049 36.171 22.637 1.00 50.07 H new ATOM 0 HB VAL A 70 29.465 33.621 24.194 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.323 35.036 26.208 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.965 35.029 25.521 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.898 36.430 25.263 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.357 34.776 24.745 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.860 36.160 23.746 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.560 34.578 22.989 1.00 49.73 H new ATOM 1129 N LEU A 71 32.404 36.063 23.516 1.00 49.53 N ATOM 1130 CA LEU A 71 33.832 36.002 23.900 1.00 50.07 C ATOM 1131 C LEU A 71 33.888 35.654 25.364 1.00 50.51 C ATOM 1132 O LEU A 71 33.131 36.206 26.188 1.00 49.49 O ATOM 1133 CB LEU A 71 34.527 37.341 23.624 1.00 49.82 C ATOM 1134 CG LEU A 71 35.281 37.421 22.289 1.00 49.91 C ATOM 1135 CD1 LEU A 71 34.305 37.710 21.157 1.00 49.73 C ATOM 1136 CD2 LEU A 71 36.347 38.504 22.372 1.00 49.73 C ATOM 0 H LEU A 71 32.007 37.002 23.500 1.00 49.53 H new ATOM 0 HA LEU A 71 34.356 35.248 23.312 1.00 50.07 H new ATOM 0 HB2 LEU A 71 33.778 38.133 23.649 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.230 37.541 24.433 1.00 49.82 H new ATOM 0 HG LEU A 71 35.766 36.466 22.086 1.00 49.91 H new ATOM 0 HD11 LEU A 71 34.848 37.765 20.214 1.00 49.73 H new ATOM 0 HD12 LEU A 71 33.564 36.913 21.103 1.00 49.73 H new ATOM 0 HD13 LEU A 71 33.803 38.660 21.343 1.00 49.73 H new ATOM 0 HD21 LEU A 71 36.882 38.561 21.424 1.00 49.73 H new ATOM 0 HD22 LEU A 71 35.875 39.464 22.580 1.00 49.73 H new ATOM 0 HD23 LEU A 71 37.048 38.264 23.171 1.00 49.73 H new ATOM 1148 N ARG A 72 34.777 34.809 25.735 1.00 49.53 N ATOM 1149 CA ARG A 72 34.991 34.416 27.144 1.00 50.07 C ATOM 1150 C ARG A 72 36.501 34.334 27.352 1.00 50.51 C ATOM 1151 O ARG A 72 36.910 33.161 27.629 1.00 49.49 O ATOM 1152 CB ARG A 72 34.285 33.119 27.510 1.00 49.82 C ATOM 1153 CG ARG A 72 32.767 33.205 27.549 1.00 49.82 C ATOM 1154 CD ARG A 72 32.238 34.260 28.451 1.00 50.20 C ATOM 1155 NE ARG A 72 30.790 34.265 28.587 1.00 49.30 N ATOM 1156 CZ ARG A 72 30.087 35.207 29.246 1.00 50.64 C ATOM 1157 NH1 ARG A 72 30.693 36.198 29.861 1.00 49.20 N ATOM 1158 NH2 ARG A 72 28.771 35.094 29.279 1.00 49.20 N ATOM 0 H ARG A 72 35.406 34.342 25.082 1.00 49.53 H new ATOM 0 HA ARG A 72 34.551 35.157 27.811 1.00 50.07 H new ATOM 0 HB2 ARG A 72 34.572 32.351 26.792 1.00 49.82 H new ATOM 0 HB3 ARG A 72 34.641 32.792 28.487 1.00 49.82 H new ATOM 0 HG2 ARG A 72 32.399 33.388 26.540 1.00 49.82 H new ATOM 0 HG3 ARG A 72 32.368 32.241 27.864 1.00 49.82 H new ATOM 0 HD2 ARG A 72 32.683 34.133 29.438 1.00 50.20 H new ATOM 0 HD3 ARG A 72 32.559 35.233 28.079 1.00 50.20 H new ATOM 0 HE ARG A 72 30.270 33.502 28.153 1.00 49.30 H new ATOM 0 HH11 ARG A 72 31.711 36.263 29.844 1.00 49.20 H new ATOM 0 HH12 ARG A 72 30.145 36.903 30.355 1.00 49.20 H new ATOM 0 HH21 ARG A 72 28.315 34.309 28.814 1.00 49.20 H new ATOM 0 HH22 ARG A 72 28.211 35.791 29.770 1.00 49.20 H new ATOM 1172 N LEU A 73 37.251 35.373 27.184 1.00 49.53 N ATOM 1173 CA LEU A 73 38.718 35.270 27.377 1.00 50.07 C ATOM 1174 C LEU A 73 39.201 34.783 28.735 1.00 50.51 C ATOM 1175 O LEU A 73 38.432 34.725 29.707 1.00 49.49 O ATOM 1176 CB LEU A 73 39.367 36.625 27.067 1.00 49.82 C ATOM 1177 CG LEU A 73 39.649 36.890 25.582 1.00 49.91 C ATOM 1178 CD1 LEU A 73 38.497 36.374 24.731 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.858 38.380 25.361 1.00 49.73 C ATOM 0 H LEU A 73 36.912 36.298 26.919 1.00 49.53 H new ATOM 0 HA LEU A 73 39.026 34.487 26.684 1.00 50.07 H new ATOM 0 HB2 LEU A 73 38.718 37.415 27.444 1.00 49.82 H new ATOM 0 HB3 LEU A 73 40.306 36.694 27.617 1.00 49.82 H new ATOM 0 HG LEU A 73 40.555 36.362 25.285 1.00 49.91 H new ATOM 0 HD11 LEU A 73 38.707 36.567 23.679 1.00 49.73 H new ATOM 0 HD12 LEU A 73 38.381 35.301 24.887 1.00 49.73 H new ATOM 0 HD13 LEU A 73 37.577 36.884 25.017 1.00 49.73 H new ATOM 0 HD21 LEU A 73 40.058 38.567 24.306 1.00 49.73 H new ATOM 0 HD22 LEU A 73 38.961 38.922 25.662 1.00 49.73 H new ATOM 0 HD23 LEU A 73 40.705 38.721 25.957 1.00 49.73 H new ATOM 1191 N ARG A 74 40.498 34.520 28.778 1.00 49.53 N ATOM 1192 CA ARG A 74 41.159 34.028 29.998 1.00 50.07 C ATOM 1193 C ARG A 74 41.862 35.165 30.735 1.00 50.51 C ATOM 1194 O ARG A 74 42.895 35.682 30.270 1.00 49.49 O ATOM 1195 CB ARG A 74 42.111 32.877 29.710 1.00 49.82 C ATOM 1196 CG ARG A 74 42.894 32.379 30.915 1.00 49.82 C ATOM 1197 CD ARG A 74 43.737 31.186 30.647 1.00 50.20 C ATOM 1198 NE ARG A 74 44.801 31.403 29.680 1.00 49.30 N ATOM 1199 CZ ARG A 74 45.457 30.423 29.030 1.00 50.64 C ATOM 1200 NH1 ARG A 74 45.188 29.158 29.264 1.00 49.20 N ATOM 1201 NH2 ARG A 74 46.395 30.767 28.165 1.00 49.20 N ATOM 0 H ARG A 74 41.125 34.637 27.982 1.00 49.53 H new ATOM 0 HA ARG A 74 40.381 33.634 30.652 1.00 50.07 H new ATOM 0 HB2 ARG A 74 41.539 32.046 29.297 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.816 33.191 28.941 1.00 49.82 H new ATOM 0 HG2 ARG A 74 43.531 33.185 31.278 1.00 49.82 H new ATOM 0 HG3 ARG A 74 42.194 32.142 31.716 1.00 49.82 H new ATOM 0 HD2 ARG A 74 44.179 30.851 31.585 1.00 50.20 H new ATOM 0 HD3 ARG A 74 43.098 30.378 30.290 1.00 50.20 H new ATOM 0 HE ARG A 74 45.070 32.366 29.480 1.00 49.30 H new ATOM 0 HH11 ARG A 74 44.473 28.906 29.947 1.00 49.20 H new ATOM 0 HH12 ARG A 74 45.694 28.428 28.763 1.00 49.20 H new ATOM 0 HH21 ARG A 74 46.605 31.752 28.005 1.00 49.20 H new ATOM 0 HH22 ARG A 74 46.909 30.047 27.657 1.00 49.20 H new ATOM 1215 N GLY A 75 41.240 35.582 31.831 1.00 49.53 N ATOM 1216 CA GLY A 75 41.754 36.648 32.682 1.00 49.98 C ATOM 1217 C GLY A 75 40.766 37.780 32.875 1.00 50.51 C ATOM 1218 O GLY A 75 39.962 38.116 31.988 1.00 49.49 O ATOM 0 H GLY A 75 40.358 35.187 32.157 1.00 49.53 H new ATOM 0 HA2 GLY A 75 42.018 36.233 33.655 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.671 37.044 32.245 1.00 49.98 H new ATOM 1222 N GLY A 76 40.918 38.430 34.013 1.00 49.53 N ATOM 1223 CA GLY A 76 40.102 39.578 34.438 1.00 49.98 C ATOM 1224 C GLY A 76 39.773 39.700 35.934 1.00 50.51 C ATOM 1225 O GLY A 76 38.663 40.192 36.218 1.00 49.49 O ATOM 0 H GLY A 76 41.631 38.175 34.696 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.617 40.488 34.132 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.161 39.544 33.889 1.00 49.98 H new TER 1229 GLY A 76