USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 764 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 58 GLN : amide:sc= 0.4 K(o=0.88,f=-1) USER MOD Set 1.2: A 95 GLN : amide:sc= 0.476 K(o=0.88,f=-0.71) USER MOD Set 2.1: A 43 MET CE :methyl 169:sc=-0.00247 (180deg=-0.219) USER MOD Set 2.2: A 79 THR OG1 : rot 180:sc=-0.00169 USER MOD Set 3.1: A 4 MET CE :methyl -173:sc= 0 (180deg=-0.0495) USER MOD Set 3.2: A 7 GLN : amide:sc= -0.0328 K(o=-0.033,f=-0.92) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0328) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0.403 (180deg=0.403) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.171 K(o=0.17,f=-1.5) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.092) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 150:sc= 0.216 (180deg=0.0306) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HE2:sc= 0.754 K(o=0.75,f=-2.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= 0.999 (180deg=0.993) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 73:sc= 0.409 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -46:sc= 0.733 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 62 MET CE :methyl -160:sc= 0 (180deg=-0.0868) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 77 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 78 HIS : no HE2:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.3!) USER MOD Single : A 98 THR OG1 : rot -71:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 -12.001 17.963 41.768 1.00 25.00 N ATOM 2 CA MET A 4 -11.727 19.424 41.662 1.00 25.00 C ATOM 3 C MET A 4 -10.231 19.652 41.602 1.00 25.00 C ATOM 4 O MET A 4 -9.480 18.846 42.137 1.00 25.00 O ATOM 5 CB MET A 4 -12.314 20.149 42.875 1.00 25.00 C ATOM 6 CG MET A 4 -13.834 20.036 42.969 1.00 25.00 C ATOM 7 SD MET A 4 -14.513 20.759 44.473 1.00 25.00 S ATOM 8 CE MET A 4 -14.053 19.519 45.715 1.00 25.00 C ATOM 0 HA MET A 4 -12.189 19.815 40.756 1.00 25.00 H new ATOM 0 HB2 MET A 4 -11.870 19.742 43.783 1.00 25.00 H new ATOM 0 HB3 MET A 4 -12.037 21.202 42.829 1.00 25.00 H new ATOM 0 HG2 MET A 4 -14.282 20.527 42.105 1.00 25.00 H new ATOM 0 HG3 MET A 4 -14.117 18.984 42.920 1.00 25.00 H new ATOM 0 HE1 MET A 4 -14.515 19.772 46.670 1.00 25.00 H new ATOM 0 HE2 MET A 4 -14.399 18.536 45.394 1.00 25.00 H new ATOM 0 HE3 MET A 4 -12.969 19.503 45.829 1.00 25.00 H new ATOM 18 N SER A 5 -9.763 20.706 40.950 1.00 25.00 N ATOM 19 CA SER A 5 -8.322 20.951 40.857 1.00 25.00 C ATOM 20 C SER A 5 -7.720 21.430 42.176 1.00 25.00 C ATOM 21 O SER A 5 -6.573 21.109 42.500 1.00 25.00 O ATOM 22 CB SER A 5 -8.053 22.004 39.790 1.00 25.00 C ATOM 23 OG SER A 5 -8.540 21.568 38.529 1.00 25.00 O ATOM 0 H SER A 5 -10.346 21.400 40.482 1.00 25.00 H new ATOM 0 HA SER A 5 -7.854 20.001 40.600 1.00 25.00 H new ATOM 0 HB2 SER A 5 -8.533 22.943 40.067 1.00 25.00 H new ATOM 0 HB3 SER A 5 -6.983 22.200 39.725 1.00 25.00 H new ATOM 0 HG SER A 5 -8.362 22.256 37.854 1.00 25.00 H new ATOM 29 N ASP A 6 -8.501 22.179 42.942 1.00 25.00 N ATOM 30 CA ASP A 6 -8.098 22.676 44.258 1.00 25.00 C ATOM 31 C ASP A 6 -8.901 21.988 45.354 1.00 25.00 C ATOM 32 O ASP A 6 -10.051 22.345 45.629 1.00 25.00 O ATOM 33 CB ASP A 6 -8.311 24.185 44.362 1.00 25.00 C ATOM 34 CG ASP A 6 -7.905 24.730 45.717 1.00 25.00 C ATOM 35 OD1 ASP A 6 -7.040 24.142 46.406 1.00 25.00 O ATOM 36 OD2 ASP A 6 -8.470 25.765 46.133 1.00 25.00 O ATOM 0 H ASP A 6 -9.442 22.463 42.668 1.00 25.00 H new ATOM 0 HA ASP A 6 -7.038 22.455 44.384 1.00 25.00 H new ATOM 0 HB2 ASP A 6 -7.735 24.686 43.584 1.00 25.00 H new ATOM 0 HB3 ASP A 6 -9.361 24.415 44.180 1.00 25.00 H new ATOM 41 N GLN A 7 -8.292 20.982 45.959 1.00 25.00 N ATOM 42 CA GLN A 7 -8.922 20.167 46.989 1.00 25.00 C ATOM 43 C GLN A 7 -7.757 19.675 47.849 1.00 25.00 C ATOM 44 O GLN A 7 -6.606 19.767 47.419 1.00 25.00 O ATOM 45 CB GLN A 7 -9.720 19.033 46.325 1.00 25.00 C ATOM 46 CG GLN A 7 -8.899 18.128 45.411 1.00 25.00 C ATOM 47 CD GLN A 7 -9.731 17.127 44.638 1.00 25.00 C ATOM 48 OE1 GLN A 7 -10.950 17.246 44.523 1.00 25.00 O ATOM 49 NE2 GLN A 7 -9.085 16.138 44.088 1.00 25.00 N ATOM 0 H GLN A 7 -7.334 20.703 45.747 1.00 25.00 H new ATOM 0 HA GLN A 7 -9.644 20.702 47.606 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -10.176 18.423 47.105 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -10.534 19.470 45.746 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -8.343 18.746 44.706 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -8.165 17.590 46.011 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -8.074 16.064 44.200 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -9.590 15.438 43.546 1.00 25.00 H new ATOM 58 N GLU A 8 -8.018 19.183 49.051 1.00 25.00 N ATOM 59 CA GLU A 8 -6.954 18.686 49.931 1.00 25.00 C ATOM 60 C GLU A 8 -6.500 17.308 49.454 1.00 25.00 C ATOM 61 O GLU A 8 -5.357 16.896 49.667 1.00 25.00 O ATOM 62 CB GLU A 8 -7.450 18.577 51.379 1.00 25.00 C ATOM 63 CG GLU A 8 -7.709 19.922 52.051 1.00 25.00 C ATOM 64 CD GLU A 8 -8.236 19.783 53.476 1.00 25.00 C ATOM 65 OE1 GLU A 8 -7.698 18.990 54.282 1.00 25.00 O ATOM 66 OE2 GLU A 8 -9.227 20.472 53.820 1.00 25.00 O ATOM 0 H GLU A 8 -8.956 19.114 49.446 1.00 25.00 H new ATOM 0 HA GLU A 8 -6.122 19.389 49.896 1.00 25.00 H new ATOM 0 HB2 GLU A 8 -8.370 17.992 51.394 1.00 25.00 H new ATOM 0 HB3 GLU A 8 -6.713 18.027 51.964 1.00 25.00 H new ATOM 0 HG2 GLU A 8 -6.784 20.499 52.066 1.00 25.00 H new ATOM 0 HG3 GLU A 8 -8.428 20.487 51.457 1.00 25.00 H new ATOM 73 N ALA A 9 -7.403 16.602 48.788 1.00 25.00 N ATOM 74 CA ALA A 9 -7.103 15.295 48.213 1.00 25.00 C ATOM 75 C ALA A 9 -6.080 15.407 47.071 1.00 25.00 C ATOM 76 O ALA A 9 -5.994 16.429 46.379 1.00 25.00 O ATOM 77 CB ALA A 9 -8.407 14.658 47.710 1.00 25.00 C ATOM 0 H ALA A 9 -8.361 16.916 48.631 1.00 25.00 H new ATOM 0 HA ALA A 9 -6.660 14.664 48.983 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -8.192 13.680 47.279 1.00 25.00 H new ATOM 0 HB2 ALA A 9 -9.100 14.542 48.543 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -8.856 15.299 46.951 1.00 25.00 H new ATOM 83 N LYS A 10 -5.327 14.342 46.830 1.00 25.00 N ATOM 84 CA LYS A 10 -4.418 14.290 45.680 1.00 25.00 C ATOM 85 C LYS A 10 -5.239 14.066 44.412 1.00 25.00 C ATOM 86 O LYS A 10 -6.336 13.500 44.498 1.00 25.00 O ATOM 87 CB LYS A 10 -3.438 13.123 45.823 1.00 25.00 C ATOM 88 CG LYS A 10 -2.448 13.266 46.961 1.00 25.00 C ATOM 89 CD LYS A 10 -1.458 12.111 46.913 1.00 25.00 C ATOM 90 CE LYS A 10 -0.457 12.154 48.055 1.00 25.00 C ATOM 91 NZ LYS A 10 0.392 13.387 48.044 1.00 25.00 N ATOM 0 H LYS A 10 -5.323 13.503 47.410 1.00 25.00 H new ATOM 0 HA LYS A 10 -3.863 15.227 45.629 1.00 25.00 H new ATOM 0 HB2 LYS A 10 -4.006 12.204 45.967 1.00 25.00 H new ATOM 0 HB3 LYS A 10 -2.885 13.013 44.890 1.00 25.00 H new ATOM 0 HG2 LYS A 10 -1.920 14.216 46.882 1.00 25.00 H new ATOM 0 HG3 LYS A 10 -2.973 13.271 47.916 1.00 25.00 H new ATOM 0 HD2 LYS A 10 -2.003 11.168 46.948 1.00 25.00 H new ATOM 0 HD3 LYS A 10 -0.923 12.135 45.964 1.00 25.00 H new ATOM 0 HE2 LYS A 10 -0.993 12.097 49.003 1.00 25.00 H new ATOM 0 HE3 LYS A 10 0.187 11.276 48.000 1.00 25.00 H new ATOM 0 HZ1 LYS A 10 1.099 13.328 48.804 1.00 25.00 H new ATOM 0 HZ2 LYS A 10 0.875 13.467 47.127 1.00 25.00 H new ATOM 0 HZ3 LYS A 10 -0.208 14.223 48.193 1.00 25.00 H new ATOM 105 N PRO A 11 -4.712 14.443 43.231 1.00 25.00 N ATOM 106 CA PRO A 11 -5.420 13.996 42.024 1.00 25.00 C ATOM 107 C PRO A 11 -5.481 12.474 41.934 1.00 25.00 C ATOM 108 O PRO A 11 -4.611 11.776 42.465 1.00 25.00 O ATOM 109 CB PRO A 11 -4.554 14.545 40.885 1.00 25.00 C ATOM 110 CG PRO A 11 -3.824 15.687 41.490 1.00 25.00 C ATOM 111 CD PRO A 11 -3.494 15.193 42.869 1.00 25.00 C ATOM 0 HA PRO A 11 -6.454 14.340 42.004 1.00 25.00 H new ATOM 0 HB2 PRO A 11 -3.865 13.788 40.510 1.00 25.00 H new ATOM 0 HB3 PRO A 11 -5.165 14.867 40.042 1.00 25.00 H new ATOM 0 HG2 PRO A 11 -2.925 15.935 40.925 1.00 25.00 H new ATOM 0 HG3 PRO A 11 -4.439 16.587 41.521 1.00 25.00 H new ATOM 0 HD2 PRO A 11 -2.608 14.558 42.873 1.00 25.00 H new ATOM 0 HD3 PRO A 11 -3.301 16.013 43.560 1.00 25.00 H new ATOM 119 N SER A 12 -6.497 11.955 41.260 1.00 25.00 N ATOM 120 CA SER A 12 -6.687 10.513 41.093 1.00 25.00 C ATOM 121 C SER A 12 -5.625 9.862 40.207 1.00 25.00 C ATOM 122 O SER A 12 -5.310 8.675 40.351 1.00 25.00 O ATOM 123 CB SER A 12 -8.067 10.283 40.475 1.00 25.00 C ATOM 124 OG SER A 12 -8.166 10.968 39.234 1.00 25.00 O ATOM 0 H SER A 12 -7.218 12.520 40.810 1.00 25.00 H new ATOM 0 HA SER A 12 -6.599 10.051 42.076 1.00 25.00 H new ATOM 0 HB2 SER A 12 -8.234 9.216 40.325 1.00 25.00 H new ATOM 0 HB3 SER A 12 -8.842 10.634 41.156 1.00 25.00 H new ATOM 0 HG SER A 12 -9.052 10.814 38.845 1.00 25.00 H new ATOM 130 N THR A 13 -5.065 10.646 39.298 1.00 25.00 N ATOM 131 CA THR A 13 -4.040 10.177 38.373 1.00 25.00 C ATOM 132 C THR A 13 -2.713 9.969 39.094 1.00 25.00 C ATOM 133 O THR A 13 -2.370 10.702 40.020 1.00 25.00 O ATOM 134 CB THR A 13 -3.828 11.234 37.270 1.00 25.00 C ATOM 135 OG1 THR A 13 -3.655 12.514 37.884 1.00 25.00 O ATOM 136 CG2 THR A 13 -5.047 11.356 36.369 1.00 25.00 C ATOM 0 H THR A 13 -5.309 11.629 39.179 1.00 25.00 H new ATOM 0 HA THR A 13 -4.372 9.230 37.947 1.00 25.00 H new ATOM 0 HB THR A 13 -2.961 10.927 36.685 1.00 25.00 H new ATOM 0 HG1 THR A 13 -3.518 13.193 37.191 1.00 25.00 H new ATOM 0 HG21 THR A 13 -4.860 12.110 35.604 1.00 25.00 H new ATOM 0 HG22 THR A 13 -5.244 10.396 35.892 1.00 25.00 H new ATOM 0 HG23 THR A 13 -5.912 11.649 36.964 1.00 25.00 H new ATOM 144 N GLU A 14 -1.945 8.978 38.673 1.00 25.00 N ATOM 145 CA GLU A 14 -0.621 8.751 39.250 1.00 25.00 C ATOM 146 C GLU A 14 0.369 9.820 38.796 1.00 25.00 C ATOM 147 O GLU A 14 0.286 10.336 37.677 1.00 25.00 O ATOM 148 CB GLU A 14 -0.080 7.395 38.801 1.00 25.00 C ATOM 149 CG GLU A 14 -0.775 6.208 39.439 1.00 25.00 C ATOM 150 CD GLU A 14 -0.315 4.911 38.811 1.00 25.00 C ATOM 151 OE1 GLU A 14 0.689 4.311 39.255 1.00 25.00 O ATOM 152 OE2 GLU A 14 -0.954 4.475 37.826 1.00 25.00 O ATOM 0 H GLU A 14 -2.208 8.320 37.940 1.00 25.00 H new ATOM 0 HA GLU A 14 -0.728 8.786 40.334 1.00 25.00 H new ATOM 0 HB2 GLU A 14 -0.175 7.319 37.718 1.00 25.00 H new ATOM 0 HB3 GLU A 14 0.984 7.346 39.032 1.00 25.00 H new ATOM 0 HG2 GLU A 14 -0.568 6.192 40.509 1.00 25.00 H new ATOM 0 HG3 GLU A 14 -1.854 6.309 39.325 1.00 25.00 H new ATOM 159 N ASP A 15 1.336 10.122 39.646 1.00 25.00 N ATOM 160 CA ASP A 15 2.480 10.950 39.267 1.00 25.00 C ATOM 161 C ASP A 15 3.388 10.137 38.349 1.00 25.00 C ATOM 162 O ASP A 15 3.928 9.107 38.766 1.00 25.00 O ATOM 163 CB ASP A 15 3.286 11.345 40.502 1.00 25.00 C ATOM 164 CG ASP A 15 4.555 12.089 40.138 1.00 25.00 C ATOM 165 OD1 ASP A 15 4.497 13.069 39.361 1.00 25.00 O ATOM 166 OD2 ASP A 15 5.643 11.693 40.608 1.00 25.00 O ATOM 0 H ASP A 15 1.355 9.804 40.615 1.00 25.00 H new ATOM 0 HA ASP A 15 2.116 11.848 38.768 1.00 25.00 H new ATOM 0 HB2 ASP A 15 2.672 11.970 41.150 1.00 25.00 H new ATOM 0 HB3 ASP A 15 3.541 10.450 41.070 1.00 25.00 H new ATOM 171 N LEU A 16 3.547 10.586 37.111 1.00 25.00 N ATOM 172 CA LEU A 16 4.333 9.861 36.112 1.00 25.00 C ATOM 173 C LEU A 16 5.787 9.665 36.546 1.00 25.00 C ATOM 174 O LEU A 16 6.483 10.619 36.917 1.00 25.00 O ATOM 175 CB LEU A 16 4.288 10.620 34.778 1.00 25.00 C ATOM 176 CG LEU A 16 5.001 10.025 33.551 1.00 25.00 C ATOM 177 CD1 LEU A 16 4.435 8.670 33.129 1.00 50.00 C ATOM 178 CD2 LEU A 16 4.918 10.987 32.372 1.00 50.00 C ATOM 0 H LEU A 16 3.139 11.456 36.769 1.00 25.00 H new ATOM 0 HA LEU A 16 3.892 8.871 36.000 1.00 25.00 H new ATOM 0 HB2 LEU A 16 3.239 10.757 34.514 1.00 25.00 H new ATOM 0 HB3 LEU A 16 4.705 11.612 34.951 1.00 25.00 H new ATOM 0 HG LEU A 16 6.039 9.872 33.846 1.00 25.00 H new ATOM 0 HD11 LEU A 16 4.980 8.303 32.259 1.00 50.00 H new ATOM 0 HD12 LEU A 16 4.541 7.960 33.949 1.00 50.00 H new ATOM 0 HD13 LEU A 16 3.380 8.779 32.877 1.00 50.00 H new ATOM 0 HD21 LEU A 16 5.427 10.553 31.511 1.00 50.00 H new ATOM 0 HD22 LEU A 16 3.872 11.167 32.123 1.00 50.00 H new ATOM 0 HD23 LEU A 16 5.396 11.930 32.638 1.00 50.00 H new ATOM 190 N GLY A 17 6.243 8.420 36.488 1.00 25.00 N ATOM 191 CA GLY A 17 7.616 8.083 36.839 1.00 25.00 C ATOM 192 C GLY A 17 8.600 8.134 35.684 1.00 25.00 C ATOM 193 O GLY A 17 9.806 8.153 35.916 1.00 25.00 O ATOM 0 H GLY A 17 5.677 7.622 36.199 1.00 25.00 H new ATOM 0 HA2 GLY A 17 7.955 8.767 37.617 1.00 25.00 H new ATOM 0 HA3 GLY A 17 7.631 7.080 37.267 1.00 25.00 H new ATOM 197 N ASP A 18 8.069 8.168 34.465 1.00 25.00 N ATOM 198 CA ASP A 18 8.804 8.175 33.183 1.00 25.00 C ATOM 199 C ASP A 18 9.728 6.981 32.904 1.00 25.00 C ATOM 200 O ASP A 18 9.449 6.194 31.995 1.00 25.00 O ATOM 201 CB ASP A 18 9.582 9.481 32.980 1.00 25.00 C ATOM 202 CG ASP A 18 10.469 9.439 31.748 1.00 25.00 C ATOM 203 OD1 ASP A 18 9.944 9.420 30.613 1.00 25.00 O ATOM 204 OD2 ASP A 18 11.711 9.357 31.906 1.00 25.00 O ATOM 0 H ASP A 18 7.059 8.193 34.327 1.00 25.00 H new ATOM 0 HA ASP A 18 7.999 8.084 32.454 1.00 25.00 H new ATOM 0 HB2 ASP A 18 8.879 10.310 32.891 1.00 25.00 H new ATOM 0 HB3 ASP A 18 10.195 9.676 33.860 1.00 25.00 H new ATOM 209 N LYS A 19 10.809 6.857 33.667 1.00 25.00 N ATOM 210 CA LYS A 19 11.786 5.760 33.598 1.00 25.00 C ATOM 211 C LYS A 19 12.384 5.542 32.208 1.00 25.00 C ATOM 212 O LYS A 19 12.739 4.421 31.847 1.00 25.00 O ATOM 213 CB LYS A 19 11.167 4.464 34.154 1.00 25.00 C ATOM 214 CG LYS A 19 10.580 4.634 35.556 1.00 25.00 C ATOM 215 CD LYS A 19 10.073 3.330 36.153 1.00 25.00 C ATOM 216 CE LYS A 19 9.448 3.618 37.516 1.00 25.00 C ATOM 217 NZ LYS A 19 9.023 2.391 38.265 1.00 25.00 N ATOM 0 H LYS A 19 11.044 7.544 34.383 1.00 25.00 H new ATOM 0 HA LYS A 19 12.628 6.057 34.223 1.00 25.00 H new ATOM 0 HB2 LYS A 19 10.384 4.123 33.477 1.00 25.00 H new ATOM 0 HB3 LYS A 19 11.929 3.685 34.177 1.00 25.00 H new ATOM 0 HG2 LYS A 19 11.340 5.056 36.213 1.00 25.00 H new ATOM 0 HG3 LYS A 19 9.760 5.351 35.516 1.00 25.00 H new ATOM 0 HD2 LYS A 19 9.338 2.873 35.490 1.00 25.00 H new ATOM 0 HD3 LYS A 19 10.893 2.620 36.257 1.00 25.00 H new ATOM 0 HE2 LYS A 19 10.165 4.171 38.123 1.00 25.00 H new ATOM 0 HE3 LYS A 19 8.581 4.265 37.377 1.00 25.00 H new ATOM 0 HZ1 LYS A 19 8.609 2.668 39.178 1.00 25.00 H new ATOM 0 HZ2 LYS A 19 8.315 1.872 37.707 1.00 25.00 H new ATOM 0 HZ3 LYS A 19 9.849 1.781 38.430 1.00 25.00 H new ATOM 231 N LYS A 20 12.489 6.609 31.425 1.00 25.00 N ATOM 232 CA LYS A 20 12.998 6.535 30.051 1.00 25.00 C ATOM 233 C LYS A 20 14.193 7.449 29.841 1.00 25.00 C ATOM 234 O LYS A 20 15.129 7.076 29.138 1.00 25.00 O ATOM 235 CB LYS A 20 11.862 6.856 29.075 1.00 25.00 C ATOM 236 CG LYS A 20 12.171 6.719 27.584 1.00 25.00 C ATOM 237 CD LYS A 20 12.534 5.295 27.181 1.00 25.00 C ATOM 238 CE LYS A 20 12.711 5.172 25.677 1.00 25.00 C ATOM 239 NZ LYS A 20 13.168 3.793 25.332 1.00 25.00 N ATOM 0 H LYS A 20 12.226 7.550 31.719 1.00 25.00 H new ATOM 0 HA LYS A 20 13.353 5.522 29.862 1.00 25.00 H new ATOM 0 HB2 LYS A 20 11.020 6.204 29.308 1.00 25.00 H new ATOM 0 HB3 LYS A 20 11.534 7.879 29.261 1.00 25.00 H new ATOM 0 HG2 LYS A 20 11.305 7.045 27.007 1.00 25.00 H new ATOM 0 HG3 LYS A 20 12.994 7.385 27.326 1.00 25.00 H new ATOM 0 HD2 LYS A 20 13.455 4.997 27.683 1.00 25.00 H new ATOM 0 HD3 LYS A 20 11.754 4.611 27.514 1.00 25.00 H new ATOM 0 HE2 LYS A 20 11.770 5.390 25.172 1.00 25.00 H new ATOM 0 HE3 LYS A 20 13.438 5.904 25.326 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 13.287 3.714 24.302 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 14.076 3.600 25.802 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 12.459 3.102 25.652 1.00 25.00 H new ATOM 253 N GLU A 21 14.238 8.581 30.527 1.00 25.00 N ATOM 254 CA GLU A 21 15.464 9.381 30.549 1.00 25.00 C ATOM 255 C GLU A 21 16.581 8.558 31.199 1.00 25.00 C ATOM 256 O GLU A 21 16.326 7.792 32.133 1.00 25.00 O ATOM 257 CB GLU A 21 15.274 10.680 31.335 1.00 25.00 C ATOM 258 CG GLU A 21 14.346 11.679 30.657 1.00 25.00 C ATOM 259 CD GLU A 21 14.240 12.993 31.421 1.00 25.00 C ATOM 260 OE1 GLU A 21 15.282 13.576 31.783 1.00 25.00 O ATOM 261 OE2 GLU A 21 13.110 13.488 31.653 1.00 25.00 O ATOM 0 H GLU A 21 13.462 8.964 31.066 1.00 25.00 H new ATOM 0 HA GLU A 21 15.723 9.642 29.523 1.00 25.00 H new ATOM 0 HB2 GLU A 21 14.877 10.442 32.322 1.00 25.00 H new ATOM 0 HB3 GLU A 21 16.247 11.147 31.487 1.00 25.00 H new ATOM 0 HG2 GLU A 21 14.707 11.878 29.648 1.00 25.00 H new ATOM 0 HG3 GLU A 21 13.354 11.239 30.559 1.00 25.00 H new ATOM 268 N GLY A 22 17.802 8.701 30.700 1.00 25.00 N ATOM 269 CA GLY A 22 18.958 7.998 31.242 1.00 25.00 C ATOM 270 C GLY A 22 19.585 7.000 30.288 1.00 25.00 C ATOM 271 O GLY A 22 20.614 6.402 30.596 1.00 25.00 O ATOM 0 H GLY A 22 18.019 9.307 29.909 1.00 25.00 H new ATOM 0 HA2 GLY A 22 19.712 8.731 31.530 1.00 25.00 H new ATOM 0 HA3 GLY A 22 18.658 7.476 32.150 1.00 25.00 H new ATOM 275 N GLU A 23 18.988 6.828 29.114 1.00 25.00 N ATOM 276 CA GLU A 23 19.538 5.938 28.082 1.00 25.00 C ATOM 277 C GLU A 23 20.737 6.607 27.399 1.00 25.00 C ATOM 278 O GLU A 23 21.597 5.956 26.799 1.00 25.00 O ATOM 279 CB GLU A 23 18.474 5.614 27.028 1.00 25.00 C ATOM 280 CG GLU A 23 17.308 4.770 27.533 1.00 25.00 C ATOM 281 CD GLU A 23 16.345 4.388 26.415 1.00 25.00 C ATOM 282 OE1 GLU A 23 15.968 5.257 25.602 1.00 25.00 O ATOM 283 OE2 GLU A 23 15.947 3.203 26.312 1.00 25.00 O ATOM 0 H GLU A 23 18.120 7.292 28.847 1.00 25.00 H new ATOM 0 HA GLU A 23 19.857 5.013 28.562 1.00 25.00 H new ATOM 0 HB2 GLU A 23 18.081 6.549 26.630 1.00 25.00 H new ATOM 0 HB3 GLU A 23 18.951 5.090 26.200 1.00 25.00 H new ATOM 0 HG2 GLU A 23 17.694 3.865 28.003 1.00 25.00 H new ATOM 0 HG3 GLU A 23 16.768 5.323 28.302 1.00 25.00 H new ATOM 290 N TYR A 24 20.805 7.925 27.509 1.00 25.00 N ATOM 291 CA TYR A 24 21.961 8.674 27.030 1.00 25.00 C ATOM 292 C TYR A 24 23.210 8.412 27.876 1.00 25.00 C ATOM 293 O TYR A 24 23.124 8.072 29.061 1.00 25.00 O ATOM 294 CB TYR A 24 21.649 10.175 26.986 1.00 25.00 C ATOM 295 CG TYR A 24 21.058 10.721 28.271 1.00 25.00 C ATOM 296 CD1 TYR A 24 21.851 10.914 29.420 1.00 25.00 C ATOM 297 CD2 TYR A 24 19.685 11.036 28.348 1.00 25.00 C ATOM 298 CE1 TYR A 24 21.269 11.333 30.640 1.00 25.00 C ATOM 299 CE2 TYR A 24 19.104 11.488 29.561 1.00 25.00 C ATOM 300 CZ TYR A 24 19.897 11.595 30.705 1.00 25.00 C ATOM 301 OH TYR A 24 19.302 11.942 31.889 1.00 25.00 O ATOM 0 H TYR A 24 20.073 8.500 27.926 1.00 25.00 H new ATOM 0 HA TYR A 24 22.175 8.326 26.020 1.00 25.00 H new ATOM 0 HB2 TYR A 24 22.566 10.720 26.760 1.00 25.00 H new ATOM 0 HB3 TYR A 24 20.954 10.367 26.168 1.00 25.00 H new ATOM 0 HD1 TYR A 24 22.916 10.740 29.369 1.00 25.00 H new ATOM 0 HD2 TYR A 24 19.066 10.931 27.469 1.00 25.00 H new ATOM 0 HE1 TYR A 24 21.884 11.450 31.520 1.00 25.00 H new ATOM 0 HE2 TYR A 24 18.056 11.747 29.599 1.00 25.00 H new ATOM 0 HH TYR A 24 18.344 12.088 31.743 1.00 25.00 H new ATOM 311 N ILE A 25 24.377 8.589 27.274 1.00 25.00 N ATOM 312 CA ILE A 25 25.649 8.552 27.991 1.00 25.00 C ATOM 313 C ILE A 25 26.637 9.534 27.346 1.00 25.00 C ATOM 314 O ILE A 25 26.771 9.587 26.118 1.00 25.00 O ATOM 315 CB ILE A 25 26.199 7.081 28.052 1.00 25.00 C ATOM 316 CG1 ILE A 25 27.371 6.995 29.040 1.00 25.00 C ATOM 317 CG2 ILE A 25 26.588 6.522 26.660 1.00 25.00 C ATOM 318 CD1 ILE A 25 27.747 5.594 29.502 1.00 25.00 C ATOM 0 H ILE A 25 24.472 8.763 26.273 1.00 25.00 H new ATOM 0 HA ILE A 25 25.504 8.872 29.023 1.00 25.00 H new ATOM 0 HB ILE A 25 25.388 6.447 28.410 1.00 25.00 H new ATOM 0 HG12 ILE A 25 28.246 7.451 28.577 1.00 25.00 H new ATOM 0 HG13 ILE A 25 27.126 7.593 29.918 1.00 25.00 H new ATOM 0 HG21 ILE A 25 26.961 5.503 26.768 1.00 25.00 H new ATOM 0 HG22 ILE A 25 25.713 6.521 26.011 1.00 25.00 H new ATOM 0 HG23 ILE A 25 27.365 7.148 26.221 1.00 25.00 H new ATOM 0 HD11 ILE A 25 28.585 5.653 30.196 1.00 25.00 H new ATOM 0 HD12 ILE A 25 26.894 5.134 30.001 1.00 25.00 H new ATOM 0 HD13 ILE A 25 28.031 4.991 28.640 1.00 25.00 H new ATOM 330 N LYS A 26 27.318 10.328 28.163 1.00 25.00 N ATOM 331 CA LYS A 26 28.556 10.994 27.750 1.00 25.00 C ATOM 332 C LYS A 26 29.653 9.941 27.822 1.00 25.00 C ATOM 333 O LYS A 26 29.864 9.366 28.881 1.00 25.00 O ATOM 334 CB LYS A 26 28.949 12.116 28.715 1.00 25.00 C ATOM 335 CG LYS A 26 28.067 13.346 28.706 1.00 25.00 C ATOM 336 CD LYS A 26 28.653 14.376 29.666 1.00 25.00 C ATOM 337 CE LYS A 26 27.787 15.617 29.770 1.00 25.00 C ATOM 338 NZ LYS A 26 28.392 16.598 30.730 1.00 25.00 N ATOM 0 H LYS A 26 27.035 10.530 29.122 1.00 25.00 H new ATOM 0 HA LYS A 26 28.419 11.422 26.757 1.00 25.00 H new ATOM 0 HB2 LYS A 26 28.960 11.710 29.726 1.00 25.00 H new ATOM 0 HB3 LYS A 26 29.969 12.424 28.485 1.00 25.00 H new ATOM 0 HG2 LYS A 26 28.006 13.760 27.699 1.00 25.00 H new ATOM 0 HG3 LYS A 26 27.052 13.085 29.005 1.00 25.00 H new ATOM 0 HD2 LYS A 26 28.764 13.928 30.654 1.00 25.00 H new ATOM 0 HD3 LYS A 26 29.651 14.658 29.330 1.00 25.00 H new ATOM 0 HE2 LYS A 26 27.681 16.078 28.788 1.00 25.00 H new ATOM 0 HE3 LYS A 26 26.786 15.343 30.103 1.00 25.00 H new ATOM 0 HZ1 LYS A 26 27.788 17.442 30.790 1.00 25.00 H new ATOM 0 HZ2 LYS A 26 28.471 16.160 31.670 1.00 25.00 H new ATOM 0 HZ3 LYS A 26 29.338 16.872 30.396 1.00 25.00 H new ATOM 352 N LEU A 27 30.353 9.691 26.730 1.00 25.00 N ATOM 353 CA LEU A 27 31.437 8.710 26.693 1.00 25.00 C ATOM 354 C LEU A 27 32.624 9.428 26.066 1.00 25.00 C ATOM 355 O LEU A 27 32.514 9.932 24.947 1.00 25.00 O ATOM 356 CB LEU A 27 30.958 7.502 25.873 1.00 25.00 C ATOM 357 CG LEU A 27 31.816 6.236 25.712 1.00 25.00 C ATOM 358 CD1 LEU A 27 30.938 5.123 25.132 1.00 50.00 C ATOM 359 CD2 LEU A 27 33.036 6.422 24.822 1.00 50.00 C ATOM 0 H LEU A 27 30.190 10.160 25.839 1.00 25.00 H new ATOM 0 HA LEU A 27 31.728 8.331 27.673 1.00 25.00 H new ATOM 0 HB2 LEU A 27 30.008 7.186 26.304 1.00 25.00 H new ATOM 0 HB3 LEU A 27 30.746 7.868 24.868 1.00 25.00 H new ATOM 0 HG LEU A 27 32.196 5.984 26.702 1.00 25.00 H new ATOM 0 HD11 LEU A 27 31.532 4.217 25.011 1.00 50.00 H new ATOM 0 HD12 LEU A 27 30.107 4.925 25.809 1.00 50.00 H new ATOM 0 HD13 LEU A 27 30.550 5.434 24.162 1.00 50.00 H new ATOM 0 HD21 LEU A 27 33.588 5.484 24.760 1.00 50.00 H new ATOM 0 HD22 LEU A 27 32.716 6.722 23.824 1.00 50.00 H new ATOM 0 HD23 LEU A 27 33.680 7.194 25.244 1.00 50.00 H new ATOM 371 N LYS A 28 33.724 9.554 26.798 1.00 25.00 N ATOM 372 CA LYS A 28 34.871 10.321 26.300 1.00 25.00 C ATOM 373 C LYS A 28 35.636 9.551 25.245 1.00 25.00 C ATOM 374 O LYS A 28 36.090 8.436 25.472 1.00 25.00 O ATOM 375 CB LYS A 28 35.829 10.678 27.436 1.00 25.00 C ATOM 376 CG LYS A 28 35.250 11.608 28.473 1.00 25.00 C ATOM 377 CD LYS A 28 36.210 11.809 29.632 1.00 25.00 C ATOM 378 CE LYS A 28 35.528 12.631 30.708 1.00 25.00 C ATOM 379 NZ LYS A 28 36.372 12.838 31.926 1.00 25.00 N ATOM 0 H LYS A 28 33.851 9.145 27.724 1.00 25.00 H new ATOM 0 HA LYS A 28 34.470 11.234 25.859 1.00 25.00 H new ATOM 0 HB2 LYS A 28 36.148 9.759 27.928 1.00 25.00 H new ATOM 0 HB3 LYS A 28 36.721 11.138 27.011 1.00 25.00 H new ATOM 0 HG2 LYS A 28 35.023 12.571 28.015 1.00 25.00 H new ATOM 0 HG3 LYS A 28 34.309 11.202 28.844 1.00 25.00 H new ATOM 0 HD2 LYS A 28 36.519 10.845 30.035 1.00 25.00 H new ATOM 0 HD3 LYS A 28 37.113 12.315 29.289 1.00 25.00 H new ATOM 0 HE2 LYS A 28 35.256 13.602 30.295 1.00 25.00 H new ATOM 0 HE3 LYS A 28 34.600 12.137 30.998 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 35.846 13.407 32.620 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 36.611 11.916 32.344 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 37.246 13.335 31.662 1.00 25.00 H new ATOM 393 N VAL A 29 35.839 10.191 24.109 1.00 25.00 N ATOM 394 CA VAL A 29 36.691 9.647 23.060 1.00 25.00 C ATOM 395 C VAL A 29 37.774 10.694 22.876 1.00 25.00 C ATOM 396 O VAL A 29 37.460 11.886 22.758 1.00 25.00 O ATOM 397 CB VAL A 29 35.894 9.402 21.747 1.00 25.00 C ATOM 398 CG1 VAL A 29 36.802 8.863 20.637 1.00 50.00 C ATOM 399 CG2 VAL A 29 34.750 8.403 21.993 1.00 50.00 C ATOM 0 H VAL A 29 35.424 11.095 23.885 1.00 25.00 H new ATOM 0 HA VAL A 29 37.103 8.673 23.324 1.00 25.00 H new ATOM 0 HB VAL A 29 35.483 10.360 21.429 1.00 25.00 H new ATOM 0 HG11 VAL A 29 36.215 8.702 19.733 1.00 50.00 H new ATOM 0 HG12 VAL A 29 37.594 9.584 20.432 1.00 50.00 H new ATOM 0 HG13 VAL A 29 37.244 7.919 20.955 1.00 50.00 H new ATOM 0 HG21 VAL A 29 34.202 8.242 21.065 1.00 50.00 H new ATOM 0 HG22 VAL A 29 35.163 7.456 22.340 1.00 50.00 H new ATOM 0 HG23 VAL A 29 34.074 8.803 22.749 1.00 50.00 H new ATOM 409 N ILE A 30 39.028 10.264 22.869 1.00 25.00 N ATOM 410 CA ILE A 30 40.153 11.136 22.534 1.00 25.00 C ATOM 411 C ILE A 30 40.858 10.489 21.349 1.00 25.00 C ATOM 412 O ILE A 30 41.530 9.457 21.477 1.00 25.00 O ATOM 413 CB ILE A 30 41.131 11.401 23.719 1.00 25.00 C ATOM 414 CG1 ILE A 30 40.359 12.038 24.892 1.00 25.00 C ATOM 415 CG2 ILE A 30 42.273 12.344 23.262 1.00 25.00 C ATOM 416 CD1 ILE A 30 41.172 12.385 26.141 1.00 25.00 C ATOM 0 H ILE A 30 39.297 9.306 23.094 1.00 25.00 H new ATOM 0 HA ILE A 30 39.779 12.130 22.288 1.00 25.00 H new ATOM 0 HB ILE A 30 41.565 10.456 24.045 1.00 25.00 H new ATOM 0 HG12 ILE A 30 39.883 12.950 24.531 1.00 25.00 H new ATOM 0 HG13 ILE A 30 39.560 11.356 25.184 1.00 25.00 H new ATOM 0 HG21 ILE A 30 42.952 12.524 24.096 1.00 25.00 H new ATOM 0 HG22 ILE A 30 42.821 11.881 22.441 1.00 25.00 H new ATOM 0 HG23 ILE A 30 41.851 13.291 22.927 1.00 25.00 H new ATOM 0 HD11 ILE A 30 40.516 12.826 26.892 1.00 25.00 H new ATOM 0 HD12 ILE A 30 41.626 11.479 26.543 1.00 25.00 H new ATOM 0 HD13 ILE A 30 41.954 13.098 25.880 1.00 25.00 H new ATOM 428 N GLY A 31 40.670 11.080 20.181 1.00 25.00 N ATOM 429 CA GLY A 31 41.291 10.572 18.972 1.00 25.00 C ATOM 430 C GLY A 31 42.729 11.034 18.842 1.00 25.00 C ATOM 431 O GLY A 31 43.283 11.659 19.747 1.00 25.00 O ATOM 0 H GLY A 31 40.093 11.910 20.046 1.00 25.00 H new ATOM 0 HA2 GLY A 31 41.258 9.483 18.976 1.00 25.00 H new ATOM 0 HA3 GLY A 31 40.722 10.905 18.104 1.00 25.00 H new ATOM 435 N GLN A 32 43.349 10.738 17.711 1.00 25.00 N ATOM 436 CA GLN A 32 44.756 11.059 17.481 1.00 25.00 C ATOM 437 C GLN A 32 45.019 12.570 17.484 1.00 25.00 C ATOM 438 O GLN A 32 46.065 13.025 17.956 1.00 25.00 O ATOM 439 CB GLN A 32 45.181 10.424 16.156 1.00 25.00 C ATOM 440 CG GLN A 32 46.679 10.415 15.919 1.00 25.00 C ATOM 441 CD GLN A 32 47.075 9.703 14.644 1.00 25.00 C ATOM 442 OE1 GLN A 32 46.627 8.595 14.345 1.00 25.00 O ATOM 443 NE2 GLN A 32 47.900 10.341 13.868 1.00 25.00 N ATOM 0 H GLN A 32 42.896 10.270 16.926 1.00 25.00 H new ATOM 0 HA GLN A 32 45.351 10.653 18.300 1.00 25.00 H new ATOM 0 HB2 GLN A 32 44.814 9.398 16.124 1.00 25.00 H new ATOM 0 HB3 GLN A 32 44.699 10.960 15.339 1.00 25.00 H new ATOM 0 HG2 GLN A 32 47.041 11.443 15.881 1.00 25.00 H new ATOM 0 HG3 GLN A 32 47.171 9.934 16.764 1.00 25.00 H new ATOM 0 HE21 GLN A 32 48.254 11.257 14.143 1.00 25.00 H new ATOM 0 HE22 GLN A 32 48.194 9.925 12.984 1.00 25.00 H new ATOM 452 N ASP A 33 44.043 13.363 17.052 1.00 25.00 N ATOM 453 CA ASP A 33 44.158 14.830 17.062 1.00 25.00 C ATOM 454 C ASP A 33 44.039 15.426 18.469 1.00 25.00 C ATOM 455 O ASP A 33 44.216 16.633 18.658 1.00 25.00 O ATOM 456 CB ASP A 33 43.100 15.477 16.160 1.00 25.00 C ATOM 457 CG ASP A 33 43.420 15.339 14.684 1.00 25.00 C ATOM 458 OD1 ASP A 33 44.576 15.600 14.277 1.00 25.00 O ATOM 459 OD2 ASP A 33 42.507 15.022 13.889 1.00 25.00 O ATOM 0 H ASP A 33 43.155 13.018 16.687 1.00 25.00 H new ATOM 0 HA ASP A 33 45.155 15.050 16.681 1.00 25.00 H new ATOM 0 HB2 ASP A 33 42.130 15.021 16.361 1.00 25.00 H new ATOM 0 HB3 ASP A 33 43.013 16.534 16.411 1.00 25.00 H new ATOM 464 N SER A 34 43.819 14.557 19.449 1.00 25.00 N ATOM 465 CA SER A 34 43.844 14.861 20.884 1.00 25.00 C ATOM 466 C SER A 34 42.763 15.811 21.399 1.00 25.00 C ATOM 467 O SER A 34 42.948 16.506 22.404 1.00 25.00 O ATOM 468 CB SER A 34 45.246 15.317 21.301 1.00 25.00 C ATOM 469 OG SER A 34 46.208 14.408 20.788 1.00 25.00 O ATOM 0 H SER A 34 43.609 13.577 19.262 1.00 25.00 H new ATOM 0 HA SER A 34 43.592 13.920 21.372 1.00 25.00 H new ATOM 0 HB2 SER A 34 45.441 16.321 20.925 1.00 25.00 H new ATOM 0 HB3 SER A 34 45.317 15.364 22.388 1.00 25.00 H new ATOM 0 HG SER A 34 47.106 14.699 21.052 1.00 25.00 H new ATOM 475 N SER A 35 41.611 15.818 20.743 1.00 25.00 N ATOM 476 CA SER A 35 40.455 16.564 21.240 1.00 25.00 C ATOM 477 C SER A 35 39.659 15.666 22.184 1.00 25.00 C ATOM 478 O SER A 35 39.397 14.521 21.829 1.00 25.00 O ATOM 479 CB SER A 35 39.539 16.933 20.074 1.00 25.00 C ATOM 480 OG SER A 35 40.286 17.434 18.974 1.00 25.00 O ATOM 0 H SER A 35 41.448 15.319 19.868 1.00 25.00 H new ATOM 0 HA SER A 35 40.802 17.463 21.749 1.00 25.00 H new ATOM 0 HB2 SER A 35 38.971 16.056 19.762 1.00 25.00 H new ATOM 0 HB3 SER A 35 38.817 17.682 20.398 1.00 25.00 H new ATOM 0 HG SER A 35 39.677 17.661 18.241 1.00 25.00 H new ATOM 486 N GLU A 36 39.240 16.140 23.348 1.00 25.00 N ATOM 487 CA GLU A 36 38.335 15.354 24.194 1.00 25.00 C ATOM 488 C GLU A 36 36.892 15.669 23.824 1.00 25.00 C ATOM 489 O GLU A 36 36.438 16.815 23.959 1.00 25.00 O ATOM 490 CB GLU A 36 38.567 15.619 25.686 1.00 25.00 C ATOM 491 CG GLU A 36 37.683 14.753 26.587 1.00 25.00 C ATOM 492 CD GLU A 36 37.955 14.993 28.059 1.00 25.00 C ATOM 493 OE1 GLU A 36 38.975 14.489 28.571 1.00 25.00 O ATOM 494 OE2 GLU A 36 37.154 15.680 28.738 1.00 25.00 O ATOM 0 H GLU A 36 39.503 17.049 23.729 1.00 25.00 H new ATOM 0 HA GLU A 36 38.542 14.299 24.017 1.00 25.00 H new ATOM 0 HB2 GLU A 36 39.614 15.433 25.925 1.00 25.00 H new ATOM 0 HB3 GLU A 36 38.374 16.671 25.898 1.00 25.00 H new ATOM 0 HG2 GLU A 36 36.635 14.963 26.374 1.00 25.00 H new ATOM 0 HG3 GLU A 36 37.851 13.701 26.355 1.00 25.00 H new ATOM 501 N ILE A 37 36.183 14.660 23.339 1.00 25.00 N ATOM 502 CA ILE A 37 34.808 14.823 22.870 1.00 25.00 C ATOM 503 C ILE A 37 33.909 13.850 23.629 1.00 25.00 C ATOM 504 O ILE A 37 34.134 12.635 23.598 1.00 25.00 O ATOM 505 CB ILE A 37 34.709 14.583 21.325 1.00 25.00 C ATOM 506 CG1 ILE A 37 35.646 15.557 20.576 1.00 25.00 C ATOM 507 CG2 ILE A 37 33.244 14.750 20.832 1.00 25.00 C ATOM 508 CD1 ILE A 37 35.782 15.331 19.067 1.00 25.00 C ATOM 0 H ILE A 37 36.540 13.708 23.258 1.00 25.00 H new ATOM 0 HA ILE A 37 34.481 15.845 23.061 1.00 25.00 H new ATOM 0 HB ILE A 37 35.022 13.561 21.113 1.00 25.00 H new ATOM 0 HG12 ILE A 37 35.288 16.573 20.740 1.00 25.00 H new ATOM 0 HG13 ILE A 37 36.638 15.492 21.024 1.00 25.00 H new ATOM 0 HG21 ILE A 37 33.200 14.579 19.756 1.00 25.00 H new ATOM 0 HG22 ILE A 37 32.604 14.029 21.341 1.00 25.00 H new ATOM 0 HG23 ILE A 37 32.899 15.760 21.053 1.00 25.00 H new ATOM 0 HD11 ILE A 37 36.463 16.072 18.648 1.00 25.00 H new ATOM 0 HD12 ILE A 37 36.175 14.331 18.883 1.00 25.00 H new ATOM 0 HD13 ILE A 37 34.804 15.429 18.595 1.00 25.00 H new ATOM 520 N HIS A 38 32.890 14.384 24.291 1.00 25.00 N ATOM 521 CA HIS A 38 31.780 13.598 24.840 1.00 25.00 C ATOM 522 C HIS A 38 30.491 14.419 24.808 1.00 25.00 C ATOM 523 O HIS A 38 30.536 15.649 24.904 1.00 25.00 O ATOM 524 CB HIS A 38 32.071 13.058 26.253 1.00 25.00 C ATOM 525 CG HIS A 38 32.319 14.095 27.310 1.00 25.00 C ATOM 526 ND1 HIS A 38 32.367 13.810 28.655 1.00 25.00 N ATOM 527 CD2 HIS A 38 32.576 15.428 27.230 1.00 25.00 C ATOM 528 CE1 HIS A 38 32.653 14.935 29.313 1.00 25.00 C ATOM 529 NE2 HIS A 38 32.798 15.951 28.486 1.00 25.00 N ATOM 0 H HIS A 38 32.805 15.385 24.466 1.00 25.00 H new ATOM 0 HA HIS A 38 31.656 12.720 24.206 1.00 25.00 H new ATOM 0 HB2 HIS A 38 31.229 12.441 26.566 1.00 25.00 H new ATOM 0 HB3 HIS A 38 32.942 12.405 26.200 1.00 25.00 H new ATOM 0 HD2 HIS A 38 32.602 15.997 26.312 1.00 25.00 H new ATOM 0 HE1 HIS A 38 32.753 15.004 30.386 1.00 25.00 H new ATOM 0 HE2 HIS A 38 33.025 16.916 28.724 1.00 25.00 H new ATOM 537 N PHE A 39 29.356 13.755 24.636 1.00 25.00 N ATOM 538 CA PHE A 39 28.049 14.415 24.570 1.00 25.00 C ATOM 539 C PHE A 39 26.951 13.416 24.918 1.00 25.00 C ATOM 540 O PHE A 39 27.105 12.234 24.624 1.00 25.00 O ATOM 541 CB PHE A 39 27.816 14.943 23.150 1.00 25.00 C ATOM 542 CG PHE A 39 26.721 15.966 23.061 1.00 25.00 C ATOM 543 CD1 PHE A 39 26.994 17.314 23.357 1.00 25.00 C ATOM 544 CD2 PHE A 39 25.415 15.596 22.693 1.00 25.00 C ATOM 545 CE1 PHE A 39 25.973 18.291 23.283 1.00 25.00 C ATOM 546 CE2 PHE A 39 24.383 16.559 22.622 1.00 25.00 C ATOM 547 CZ PHE A 39 24.666 17.912 22.911 1.00 25.00 C ATOM 0 H PHE A 39 29.310 12.741 24.538 1.00 25.00 H new ATOM 0 HA PHE A 39 28.028 15.242 25.280 1.00 25.00 H new ATOM 0 HB2 PHE A 39 28.742 15.381 22.778 1.00 25.00 H new ATOM 0 HB3 PHE A 39 27.574 14.106 22.495 1.00 25.00 H new ATOM 0 HD1 PHE A 39 27.993 17.606 23.644 1.00 25.00 H new ATOM 0 HD2 PHE A 39 25.198 14.564 22.462 1.00 25.00 H new ATOM 0 HE1 PHE A 39 26.194 19.323 23.511 1.00 25.00 H new ATOM 0 HE2 PHE A 39 23.382 16.261 22.348 1.00 25.00 H new ATOM 0 HZ PHE A 39 23.884 18.654 22.847 1.00 25.00 H new ATOM 557 N LYS A 40 25.851 13.853 25.518 1.00 25.00 N ATOM 558 CA LYS A 40 24.730 12.955 25.825 1.00 25.00 C ATOM 559 C LYS A 40 23.991 12.495 24.566 1.00 25.00 C ATOM 560 O LYS A 40 23.123 13.206 24.050 1.00 25.00 O ATOM 561 CB LYS A 40 23.722 13.647 26.750 1.00 25.00 C ATOM 562 CG LYS A 40 24.225 13.929 28.164 1.00 25.00 C ATOM 563 CD LYS A 40 23.131 14.501 29.077 1.00 25.00 C ATOM 564 CE LYS A 40 22.667 15.901 28.658 1.00 25.00 C ATOM 565 NZ LYS A 40 21.692 16.495 29.634 1.00 25.00 N ATOM 0 H LYS A 40 25.705 14.821 25.804 1.00 25.00 H new ATOM 0 HA LYS A 40 25.162 12.082 26.315 1.00 25.00 H new ATOM 0 HB2 LYS A 40 23.422 14.590 26.293 1.00 25.00 H new ATOM 0 HB3 LYS A 40 22.828 13.026 26.816 1.00 25.00 H new ATOM 0 HG2 LYS A 40 24.611 13.007 28.599 1.00 25.00 H new ATOM 0 HG3 LYS A 40 25.057 14.631 28.116 1.00 25.00 H new ATOM 0 HD2 LYS A 40 22.275 13.826 29.075 1.00 25.00 H new ATOM 0 HD3 LYS A 40 23.504 14.540 30.100 1.00 25.00 H new ATOM 0 HE2 LYS A 40 23.533 16.557 28.569 1.00 25.00 H new ATOM 0 HE3 LYS A 40 22.204 15.848 27.672 1.00 25.00 H new ATOM 0 HZ1 LYS A 40 21.407 17.441 29.308 1.00 25.00 H new ATOM 0 HZ2 LYS A 40 20.853 15.885 29.701 1.00 25.00 H new ATOM 0 HZ3 LYS A 40 22.140 16.571 30.569 1.00 25.00 H new ATOM 579 N VAL A 41 24.310 11.296 24.100 1.00 25.00 N ATOM 580 CA VAL A 41 23.583 10.625 23.016 1.00 25.00 C ATOM 581 C VAL A 41 23.297 9.212 23.508 1.00 25.00 C ATOM 582 O VAL A 41 23.950 8.762 24.450 1.00 25.00 O ATOM 583 CB VAL A 41 24.382 10.587 21.680 1.00 25.00 C ATOM 584 CG1 VAL A 41 24.571 11.999 21.125 1.00 50.00 C ATOM 585 CG2 VAL A 41 25.750 9.917 21.847 1.00 50.00 C ATOM 0 H VAL A 41 25.090 10.749 24.465 1.00 25.00 H new ATOM 0 HA VAL A 41 22.670 11.175 22.789 1.00 25.00 H new ATOM 0 HB VAL A 41 23.797 9.993 20.978 1.00 25.00 H new ATOM 0 HG11 VAL A 41 25.132 11.951 20.191 1.00 50.00 H new ATOM 0 HG12 VAL A 41 23.596 12.451 20.940 1.00 50.00 H new ATOM 0 HG13 VAL A 41 25.120 12.603 21.847 1.00 50.00 H new ATOM 0 HG21 VAL A 41 26.272 9.913 20.890 1.00 50.00 H new ATOM 0 HG22 VAL A 41 26.339 10.469 22.579 1.00 50.00 H new ATOM 0 HG23 VAL A 41 25.613 8.892 22.190 1.00 50.00 H new ATOM 595 N LYS A 42 22.311 8.535 22.935 1.00 25.00 N ATOM 596 CA LYS A 42 21.875 7.228 23.441 1.00 25.00 C ATOM 597 C LYS A 42 22.925 6.128 23.291 1.00 25.00 C ATOM 598 O LYS A 42 23.525 5.984 22.226 1.00 25.00 O ATOM 599 CB LYS A 42 20.576 6.826 22.738 1.00 25.00 C ATOM 600 CG LYS A 42 19.949 5.577 23.322 1.00 25.00 C ATOM 601 CD LYS A 42 18.566 5.316 22.773 1.00 25.00 C ATOM 602 CE LYS A 42 18.047 4.000 23.316 1.00 25.00 C ATOM 603 NZ LYS A 42 16.604 3.789 22.989 1.00 25.00 N ATOM 0 H LYS A 42 21.794 8.864 22.119 1.00 25.00 H new ATOM 0 HA LYS A 42 21.714 7.337 24.513 1.00 25.00 H new ATOM 0 HB2 LYS A 42 19.864 7.649 22.804 1.00 25.00 H new ATOM 0 HB3 LYS A 42 20.778 6.664 21.679 1.00 25.00 H new ATOM 0 HG2 LYS A 42 20.588 4.720 23.111 1.00 25.00 H new ATOM 0 HG3 LYS A 42 19.894 5.674 24.406 1.00 25.00 H new ATOM 0 HD2 LYS A 42 17.893 6.127 23.052 1.00 25.00 H new ATOM 0 HD3 LYS A 42 18.595 5.286 21.684 1.00 25.00 H new ATOM 0 HE2 LYS A 42 18.636 3.180 22.904 1.00 25.00 H new ATOM 0 HE3 LYS A 42 18.181 3.976 24.397 1.00 25.00 H new ATOM 0 HZ1 LYS A 42 16.414 2.771 22.899 1.00 25.00 H new ATOM 0 HZ2 LYS A 42 16.014 4.185 23.749 1.00 25.00 H new ATOM 0 HZ3 LYS A 42 16.378 4.264 22.092 1.00 25.00 H new ATOM 617 N MET A 43 23.108 5.330 24.337 1.00 25.00 N ATOM 618 CA MET A 43 23.968 4.148 24.263 1.00 25.00 C ATOM 619 C MET A 43 23.233 3.093 23.434 1.00 25.00 C ATOM 620 O MET A 43 22.182 2.592 23.853 1.00 25.00 O ATOM 621 CB MET A 43 24.254 3.595 25.667 1.00 25.00 C ATOM 622 CG MET A 43 25.545 2.781 25.796 1.00 25.00 C ATOM 623 SD MET A 43 25.825 1.444 24.603 1.00 25.00 S ATOM 624 CE MET A 43 24.609 0.179 25.004 1.00 25.00 C ATOM 0 H MET A 43 22.673 5.478 25.248 1.00 25.00 H new ATOM 0 HA MET A 43 24.922 4.410 23.806 1.00 25.00 H new ATOM 0 HB2 MET A 43 24.298 4.429 26.367 1.00 25.00 H new ATOM 0 HB3 MET A 43 23.416 2.968 25.971 1.00 25.00 H new ATOM 0 HG2 MET A 43 26.385 3.472 25.727 1.00 25.00 H new ATOM 0 HG3 MET A 43 25.569 2.348 26.796 1.00 25.00 H new ATOM 0 HE1 MET A 43 24.586 -0.568 24.211 1.00 25.00 H new ATOM 0 HE2 MET A 43 24.879 -0.299 25.946 1.00 25.00 H new ATOM 0 HE3 MET A 43 23.625 0.638 25.099 1.00 25.00 H new ATOM 634 N THR A 44 23.755 2.769 22.260 1.00 25.00 N ATOM 635 CA THR A 44 23.137 1.768 21.385 1.00 25.00 C ATOM 636 C THR A 44 24.072 0.679 20.866 1.00 25.00 C ATOM 637 O THR A 44 23.590 -0.330 20.346 1.00 25.00 O ATOM 638 CB THR A 44 22.492 2.446 20.150 1.00 25.00 C ATOM 639 OG1 THR A 44 23.447 3.306 19.518 1.00 25.00 O ATOM 640 CG2 THR A 44 21.314 3.319 20.542 1.00 25.00 C ATOM 0 H THR A 44 24.608 3.183 21.885 1.00 25.00 H new ATOM 0 HA THR A 44 22.402 1.284 22.028 1.00 25.00 H new ATOM 0 HB THR A 44 22.160 1.648 19.486 1.00 25.00 H new ATOM 0 HG1 THR A 44 23.037 3.732 18.736 1.00 25.00 H new ATOM 0 HG21 THR A 44 20.888 3.777 19.650 1.00 25.00 H new ATOM 0 HG22 THR A 44 20.556 2.709 21.033 1.00 25.00 H new ATOM 0 HG23 THR A 44 21.651 4.099 21.225 1.00 25.00 H new ATOM 648 N THR A 45 25.383 0.840 21.000 1.00 25.00 N ATOM 649 CA THR A 45 26.336 -0.078 20.366 1.00 25.00 C ATOM 650 C THR A 45 27.466 -0.597 21.252 1.00 25.00 C ATOM 651 O THR A 45 27.875 0.029 22.236 1.00 25.00 O ATOM 652 CB THR A 45 26.999 0.604 19.146 1.00 25.00 C ATOM 653 OG1 THR A 45 27.635 1.814 19.556 1.00 25.00 O ATOM 654 CG2 THR A 45 25.990 0.983 18.076 1.00 25.00 C ATOM 0 H THR A 45 25.814 1.592 21.538 1.00 25.00 H new ATOM 0 HA THR A 45 25.721 -0.938 20.101 1.00 25.00 H new ATOM 0 HB THR A 45 27.709 -0.116 18.739 1.00 25.00 H new ATOM 0 HG1 THR A 45 28.055 2.242 18.781 1.00 25.00 H new ATOM 0 HG21 THR A 45 26.506 1.458 17.242 1.00 25.00 H new ATOM 0 HG22 THR A 45 25.479 0.087 17.724 1.00 25.00 H new ATOM 0 HG23 THR A 45 25.260 1.676 18.494 1.00 25.00 H new ATOM 662 N HIS A 46 27.980 -1.758 20.874 1.00 25.00 N ATOM 663 CA HIS A 46 29.129 -2.373 21.531 1.00 25.00 C ATOM 664 C HIS A 46 30.393 -1.747 20.953 1.00 25.00 C ATOM 665 O HIS A 46 30.365 -1.172 19.862 1.00 25.00 O ATOM 666 CB HIS A 46 29.133 -3.883 21.276 1.00 25.00 C ATOM 667 CG HIS A 46 27.960 -4.590 21.879 1.00 25.00 C ATOM 668 ND1 HIS A 46 27.966 -5.207 23.108 1.00 25.00 N ATOM 669 CD2 HIS A 46 26.699 -4.770 21.404 1.00 25.00 C ATOM 670 CE1 HIS A 46 26.751 -5.711 23.329 1.00 25.00 C ATOM 671 NE2 HIS A 46 25.939 -5.464 22.321 1.00 25.00 N ATOM 0 H HIS A 46 27.610 -2.306 20.097 1.00 25.00 H new ATOM 0 HA HIS A 46 29.081 -2.207 22.607 1.00 25.00 H new ATOM 0 HB2 HIS A 46 29.143 -4.063 20.201 1.00 25.00 H new ATOM 0 HB3 HIS A 46 30.052 -4.310 21.679 1.00 25.00 H new ATOM 0 HD1 HIS A 46 28.763 -5.269 23.742 1.00 25.00 H new ATOM 0 HD2 HIS A 46 26.344 -4.420 20.446 1.00 25.00 H new ATOM 0 HE1 HIS A 46 26.469 -6.252 24.220 1.00 25.00 H new ATOM 679 N LEU A 47 31.511 -1.891 21.650 1.00 25.00 N ATOM 680 CA LEU A 47 32.771 -1.270 21.239 1.00 25.00 C ATOM 681 C LEU A 47 33.224 -1.639 19.825 1.00 25.00 C ATOM 682 O LEU A 47 33.680 -0.776 19.077 1.00 25.00 O ATOM 683 CB LEU A 47 33.837 -1.607 22.292 1.00 25.00 C ATOM 684 CG LEU A 47 35.206 -0.908 22.324 1.00 25.00 C ATOM 685 CD1 LEU A 47 36.220 -1.400 21.293 1.00 50.00 C ATOM 686 CD2 LEU A 47 35.041 0.601 22.195 1.00 50.00 C ATOM 0 H LEU A 47 31.575 -2.436 22.510 1.00 25.00 H new ATOM 0 HA LEU A 47 32.614 -0.193 21.188 1.00 25.00 H new ATOM 0 HB2 LEU A 47 33.378 -1.442 23.267 1.00 25.00 H new ATOM 0 HB3 LEU A 47 34.033 -2.676 22.209 1.00 25.00 H new ATOM 0 HG LEU A 47 35.623 -1.174 23.295 1.00 25.00 H new ATOM 0 HD11 LEU A 47 37.150 -0.842 21.402 1.00 50.00 H new ATOM 0 HD12 LEU A 47 36.413 -2.461 21.450 1.00 50.00 H new ATOM 0 HD13 LEU A 47 35.821 -1.249 20.290 1.00 50.00 H new ATOM 0 HD21 LEU A 47 36.021 1.078 22.220 1.00 50.00 H new ATOM 0 HD22 LEU A 47 34.548 0.834 21.251 1.00 50.00 H new ATOM 0 HD23 LEU A 47 34.436 0.973 23.022 1.00 50.00 H new ATOM 698 N LYS A 48 33.029 -2.884 19.414 1.00 25.00 N ATOM 699 CA LYS A 48 33.342 -3.315 18.046 1.00 25.00 C ATOM 700 C LYS A 48 32.633 -2.475 16.983 1.00 25.00 C ATOM 701 O LYS A 48 33.206 -2.118 15.954 1.00 25.00 O ATOM 702 CB LYS A 48 32.946 -4.790 17.897 1.00 25.00 C ATOM 703 CG LYS A 48 33.579 -5.496 16.711 1.00 25.00 C ATOM 704 CD LYS A 48 33.209 -6.973 16.701 1.00 25.00 C ATOM 705 CE LYS A 48 33.958 -7.708 15.597 1.00 25.00 C ATOM 706 NZ LYS A 48 33.642 -9.173 15.570 1.00 25.00 N ATOM 0 H LYS A 48 32.653 -3.623 20.008 1.00 25.00 H new ATOM 0 HA LYS A 48 34.412 -3.180 17.886 1.00 25.00 H new ATOM 0 HB2 LYS A 48 33.221 -5.321 18.809 1.00 25.00 H new ATOM 0 HB3 LYS A 48 31.862 -4.854 17.806 1.00 25.00 H new ATOM 0 HG2 LYS A 48 33.248 -5.027 15.784 1.00 25.00 H new ATOM 0 HG3 LYS A 48 34.663 -5.388 16.754 1.00 25.00 H new ATOM 0 HD2 LYS A 48 33.446 -7.419 17.667 1.00 25.00 H new ATOM 0 HD3 LYS A 48 32.135 -7.083 16.554 1.00 25.00 H new ATOM 0 HE2 LYS A 48 33.704 -7.266 14.633 1.00 25.00 H new ATOM 0 HE3 LYS A 48 35.030 -7.573 15.737 1.00 25.00 H new ATOM 0 HZ1 LYS A 48 34.175 -9.629 14.802 1.00 25.00 H new ATOM 0 HZ2 LYS A 48 33.908 -9.602 16.479 1.00 25.00 H new ATOM 0 HZ3 LYS A 48 32.623 -9.305 15.410 1.00 25.00 H new ATOM 720 N LYS A 49 31.385 -2.116 17.248 1.00 25.00 N ATOM 721 CA LYS A 49 30.606 -1.301 16.316 1.00 25.00 C ATOM 722 C LYS A 49 30.938 0.178 16.480 1.00 25.00 C ATOM 723 O LYS A 49 30.938 0.899 15.498 1.00 25.00 O ATOM 724 CB LYS A 49 29.116 -1.566 16.533 1.00 25.00 C ATOM 725 CG LYS A 49 28.142 -1.007 15.489 1.00 25.00 C ATOM 726 CD LYS A 49 28.223 -1.733 14.144 1.00 25.00 C ATOM 727 CE LYS A 49 27.143 -1.228 13.189 1.00 25.00 C ATOM 728 NZ LYS A 49 27.155 -1.970 11.882 1.00 25.00 N ATOM 0 H LYS A 49 30.887 -2.374 18.100 1.00 25.00 H new ATOM 0 HA LYS A 49 30.865 -1.577 15.294 1.00 25.00 H new ATOM 0 HB2 LYS A 49 28.970 -2.645 16.587 1.00 25.00 H new ATOM 0 HB3 LYS A 49 28.839 -1.158 17.505 1.00 25.00 H new ATOM 0 HG2 LYS A 49 27.125 -1.080 15.874 1.00 25.00 H new ATOM 0 HG3 LYS A 49 28.350 0.052 15.337 1.00 25.00 H new ATOM 0 HD2 LYS A 49 29.207 -1.579 13.701 1.00 25.00 H new ATOM 0 HD3 LYS A 49 28.107 -2.806 14.297 1.00 25.00 H new ATOM 0 HE2 LYS A 49 26.165 -1.336 13.658 1.00 25.00 H new ATOM 0 HE3 LYS A 49 27.292 -0.164 13.003 1.00 25.00 H new ATOM 0 HZ1 LYS A 49 26.375 -1.631 11.283 1.00 25.00 H new ATOM 0 HZ2 LYS A 49 28.060 -1.805 11.397 1.00 25.00 H new ATOM 0 HZ3 LYS A 49 27.038 -2.988 12.060 1.00 25.00 H new ATOM 742 N LEU A 50 31.313 0.625 17.673 1.00 25.00 N ATOM 743 CA LEU A 50 31.804 2.002 17.842 1.00 25.00 C ATOM 744 C LEU A 50 33.066 2.211 17.008 1.00 25.00 C ATOM 745 O LEU A 50 33.219 3.240 16.347 1.00 25.00 O ATOM 746 CB LEU A 50 32.132 2.325 19.310 1.00 25.00 C ATOM 747 CG LEU A 50 30.996 2.531 20.324 1.00 25.00 C ATOM 748 CD1 LEU A 50 31.560 2.648 21.741 1.00 50.00 C ATOM 749 CD2 LEU A 50 30.194 3.797 20.018 1.00 50.00 C ATOM 0 H LEU A 50 31.290 0.071 18.529 1.00 25.00 H new ATOM 0 HA LEU A 50 31.007 2.667 17.511 1.00 25.00 H new ATOM 0 HB2 LEU A 50 32.760 1.518 19.687 1.00 25.00 H new ATOM 0 HB3 LEU A 50 32.739 3.230 19.315 1.00 25.00 H new ATOM 0 HG LEU A 50 30.339 1.664 20.249 1.00 25.00 H new ATOM 0 HD11 LEU A 50 30.743 2.794 22.447 1.00 50.00 H new ATOM 0 HD12 LEU A 50 32.100 1.736 21.994 1.00 50.00 H new ATOM 0 HD13 LEU A 50 32.240 3.498 21.793 1.00 50.00 H new ATOM 0 HD21 LEU A 50 29.399 3.911 20.755 1.00 50.00 H new ATOM 0 HD22 LEU A 50 30.853 4.664 20.058 1.00 50.00 H new ATOM 0 HD23 LEU A 50 29.757 3.719 19.022 1.00 50.00 H new ATOM 761 N LYS A 51 33.944 1.215 17.008 1.00 25.00 N ATOM 762 CA LYS A 51 35.165 1.230 16.197 1.00 25.00 C ATOM 763 C LYS A 51 34.825 1.226 14.715 1.00 25.00 C ATOM 764 O LYS A 51 35.413 1.965 13.931 1.00 25.00 O ATOM 765 CB LYS A 51 36.016 0.008 16.567 1.00 25.00 C ATOM 766 CG LYS A 51 37.378 -0.092 15.887 1.00 25.00 C ATOM 767 CD LYS A 51 38.073 -1.364 16.352 1.00 25.00 C ATOM 768 CE LYS A 51 39.479 -1.508 15.794 1.00 25.00 C ATOM 769 NZ LYS A 51 40.084 -2.811 16.218 1.00 25.00 N ATOM 0 H LYS A 51 33.833 0.371 17.570 1.00 25.00 H new ATOM 0 HA LYS A 51 35.730 2.140 16.400 1.00 25.00 H new ATOM 0 HB2 LYS A 51 36.171 0.012 17.646 1.00 25.00 H new ATOM 0 HB3 LYS A 51 35.447 -0.891 16.330 1.00 25.00 H new ATOM 0 HG2 LYS A 51 37.258 -0.103 14.804 1.00 25.00 H new ATOM 0 HG3 LYS A 51 37.985 0.780 16.131 1.00 25.00 H new ATOM 0 HD2 LYS A 51 38.117 -1.370 17.441 1.00 25.00 H new ATOM 0 HD3 LYS A 51 37.479 -2.227 16.052 1.00 25.00 H new ATOM 0 HE2 LYS A 51 39.452 -1.451 14.706 1.00 25.00 H new ATOM 0 HE3 LYS A 51 40.100 -0.682 16.141 1.00 25.00 H new ATOM 0 HZ1 LYS A 51 41.044 -2.891 15.827 1.00 25.00 H new ATOM 0 HZ2 LYS A 51 40.128 -2.852 17.256 1.00 25.00 H new ATOM 0 HZ3 LYS A 51 39.500 -3.596 15.865 1.00 25.00 H new ATOM 783 N GLU A 52 33.851 0.423 14.320 1.00 25.00 N ATOM 784 CA GLU A 52 33.430 0.399 12.923 1.00 25.00 C ATOM 785 C GLU A 52 32.828 1.738 12.486 1.00 25.00 C ATOM 786 O GLU A 52 33.186 2.271 11.443 1.00 25.00 O ATOM 787 CB GLU A 52 32.408 -0.714 12.704 1.00 25.00 C ATOM 788 CG GLU A 52 32.001 -0.892 11.255 1.00 25.00 C ATOM 789 CD GLU A 52 30.837 -1.843 11.133 1.00 25.00 C ATOM 790 OE1 GLU A 52 30.979 -3.045 11.449 1.00 25.00 O ATOM 791 OE2 GLU A 52 29.738 -1.392 10.744 1.00 25.00 O ATOM 0 H GLU A 52 33.342 -0.213 14.934 1.00 25.00 H new ATOM 0 HA GLU A 52 34.317 0.214 12.317 1.00 25.00 H new ATOM 0 HB2 GLU A 52 32.821 -1.652 13.074 1.00 25.00 H new ATOM 0 HB3 GLU A 52 31.519 -0.501 13.298 1.00 25.00 H new ATOM 0 HG2 GLU A 52 31.732 0.074 10.828 1.00 25.00 H new ATOM 0 HG3 GLU A 52 32.846 -1.271 10.680 1.00 25.00 H new ATOM 798 N SER A 53 31.939 2.327 13.266 1.00 25.00 N ATOM 799 CA SER A 53 31.331 3.587 12.854 1.00 25.00 C ATOM 800 C SER A 53 32.372 4.703 12.784 1.00 25.00 C ATOM 801 O SER A 53 32.316 5.566 11.906 1.00 25.00 O ATOM 802 CB SER A 53 30.199 3.956 13.810 1.00 25.00 C ATOM 803 OG SER A 53 29.282 2.879 13.946 1.00 25.00 O ATOM 0 H SER A 53 31.625 1.967 14.167 1.00 25.00 H new ATOM 0 HA SER A 53 30.917 3.462 11.853 1.00 25.00 H new ATOM 0 HB2 SER A 53 30.611 4.214 14.786 1.00 25.00 H new ATOM 0 HB3 SER A 53 29.678 4.839 13.440 1.00 25.00 H new ATOM 0 HG SER A 53 29.689 2.169 14.484 1.00 25.00 H new ATOM 809 N TYR A 54 33.365 4.657 13.662 1.00 25.00 N ATOM 810 CA TYR A 54 34.476 5.606 13.614 1.00 25.00 C ATOM 811 C TYR A 54 35.297 5.424 12.336 1.00 25.00 C ATOM 812 O TYR A 54 35.685 6.396 11.685 1.00 25.00 O ATOM 813 CB TYR A 54 35.376 5.387 14.833 1.00 25.00 C ATOM 814 CG TYR A 54 36.298 6.541 15.163 1.00 25.00 C ATOM 815 CD1 TYR A 54 37.451 6.816 14.393 1.00 25.00 C ATOM 816 CD2 TYR A 54 36.037 7.351 16.286 1.00 25.00 C ATOM 817 CE1 TYR A 54 38.309 7.896 14.735 1.00 25.00 C ATOM 818 CE2 TYR A 54 36.899 8.419 16.629 1.00 25.00 C ATOM 819 CZ TYR A 54 38.014 8.694 15.841 1.00 25.00 C ATOM 820 OH TYR A 54 38.824 9.753 16.161 1.00 25.00 O ATOM 0 H TYR A 54 33.427 3.974 14.417 1.00 25.00 H new ATOM 0 HA TYR A 54 34.071 6.618 13.621 1.00 25.00 H new ATOM 0 HB2 TYR A 54 34.746 5.186 15.699 1.00 25.00 H new ATOM 0 HB3 TYR A 54 35.980 4.496 14.664 1.00 25.00 H new ATOM 0 HD1 TYR A 54 37.682 6.200 13.537 1.00 25.00 H new ATOM 0 HD2 TYR A 54 35.166 7.154 16.894 1.00 25.00 H new ATOM 0 HE1 TYR A 54 39.187 8.099 14.140 1.00 25.00 H new ATOM 0 HE2 TYR A 54 36.693 9.021 17.502 1.00 25.00 H new ATOM 0 HH TYR A 54 38.474 10.203 16.958 1.00 25.00 H new ATOM 830 N CYS A 55 35.562 4.182 11.955 1.00 25.00 N ATOM 831 CA CYS A 55 36.385 3.926 10.776 1.00 25.00 C ATOM 832 C CYS A 55 35.669 4.381 9.510 1.00 25.00 C ATOM 833 O CYS A 55 36.276 5.001 8.643 1.00 25.00 O ATOM 834 CB CYS A 55 36.803 2.453 10.692 1.00 25.00 C ATOM 835 SG CYS A 55 35.630 1.292 9.941 1.00 25.00 S ATOM 0 H CYS A 55 35.226 3.347 12.435 1.00 25.00 H new ATOM 0 HA CYS A 55 37.300 4.511 10.870 1.00 25.00 H new ATOM 0 HB2 CYS A 55 37.736 2.399 10.130 1.00 25.00 H new ATOM 0 HB3 CYS A 55 37.019 2.106 11.703 1.00 25.00 H new ATOM 0 HG CYS A 55 34.443 1.498 10.430 1.00 25.00 H new ATOM 840 N GLN A 56 34.359 4.173 9.454 1.00 25.00 N ATOM 841 CA GLN A 56 33.556 4.623 8.320 1.00 25.00 C ATOM 842 C GLN A 56 33.569 6.145 8.245 1.00 25.00 C ATOM 843 O GLN A 56 33.659 6.712 7.159 1.00 25.00 O ATOM 844 CB GLN A 56 32.115 4.122 8.458 1.00 25.00 C ATOM 845 CG GLN A 56 31.963 2.607 8.308 1.00 25.00 C ATOM 846 CD GLN A 56 30.544 2.134 8.551 1.00 25.00 C ATOM 847 OE1 GLN A 56 29.838 2.646 9.415 1.00 25.00 O ATOM 848 NE2 GLN A 56 30.104 1.170 7.792 1.00 25.00 N ATOM 0 H GLN A 56 33.828 3.695 10.182 1.00 25.00 H new ATOM 0 HA GLN A 56 33.984 4.216 7.404 1.00 25.00 H new ATOM 0 HB2 GLN A 56 31.730 4.420 9.433 1.00 25.00 H new ATOM 0 HB3 GLN A 56 31.497 4.614 7.707 1.00 25.00 H new ATOM 0 HG2 GLN A 56 32.273 2.313 7.305 1.00 25.00 H new ATOM 0 HG3 GLN A 56 32.633 2.108 9.008 1.00 25.00 H new ATOM 0 HE21 GLN A 56 30.712 0.762 7.082 1.00 25.00 H new ATOM 0 HE22 GLN A 56 29.152 0.823 7.908 1.00 25.00 H new ATOM 857 N ARG A 57 33.544 6.812 9.393 1.00 25.00 N ATOM 858 CA ARG A 57 33.587 8.277 9.429 1.00 25.00 C ATOM 859 C ARG A 57 34.900 8.837 8.895 1.00 25.00 C ATOM 860 O ARG A 57 34.897 9.848 8.195 1.00 25.00 O ATOM 861 CB ARG A 57 33.329 8.768 10.856 1.00 25.00 C ATOM 862 CG ARG A 57 32.897 10.226 10.947 1.00 25.00 C ATOM 863 CD ARG A 57 32.582 10.607 12.386 1.00 25.00 C ATOM 864 NE ARG A 57 33.802 10.680 13.201 1.00 25.00 N ATOM 865 CZ ARG A 57 33.871 10.762 14.522 1.00 25.00 C ATOM 866 NH1 ARG A 57 32.826 10.773 15.310 1.00 25.00 N ATOM 867 NH2 ARG A 57 35.051 10.835 15.063 1.00 25.00 N ATOM 0 H ARG A 57 33.494 6.368 10.310 1.00 25.00 H new ATOM 0 HA ARG A 57 32.801 8.645 8.769 1.00 25.00 H new ATOM 0 HB2 ARG A 57 32.559 8.144 11.309 1.00 25.00 H new ATOM 0 HB3 ARG A 57 34.236 8.632 11.444 1.00 25.00 H new ATOM 0 HG2 ARG A 57 33.688 10.869 10.560 1.00 25.00 H new ATOM 0 HG3 ARG A 57 32.019 10.390 10.322 1.00 25.00 H new ATOM 0 HD2 ARG A 57 32.072 11.570 12.406 1.00 25.00 H new ATOM 0 HD3 ARG A 57 31.898 9.875 12.816 1.00 25.00 H new ATOM 0 HE ARG A 57 34.689 10.666 12.697 1.00 25.00 H new ATOM 0 HH11 ARG A 57 31.888 10.716 14.914 1.00 25.00 H new ATOM 0 HH12 ARG A 57 32.950 10.838 16.320 1.00 25.00 H new ATOM 0 HH21 ARG A 57 35.884 10.828 14.474 1.00 25.00 H new ATOM 0 HH22 ARG A 57 35.144 10.899 16.077 1.00 25.00 H new ATOM 881 N GLN A 58 36.014 8.172 9.175 1.00 25.00 N ATOM 882 CA GLN A 58 37.311 8.597 8.635 1.00 25.00 C ATOM 883 C GLN A 58 37.578 8.076 7.219 1.00 25.00 C ATOM 884 O GLN A 58 38.465 8.580 6.526 1.00 25.00 O ATOM 885 CB GLN A 58 38.462 8.148 9.541 1.00 25.00 C ATOM 886 CG GLN A 58 38.457 8.806 10.910 1.00 25.00 C ATOM 887 CD GLN A 58 39.780 8.656 11.635 1.00 25.00 C ATOM 888 OE1 GLN A 58 40.321 7.565 11.779 1.00 25.00 O ATOM 889 NE2 GLN A 58 40.315 9.752 12.099 1.00 25.00 N ATOM 0 H GLN A 58 36.052 7.342 9.767 1.00 25.00 H new ATOM 0 HA GLN A 58 37.262 9.685 8.594 1.00 25.00 H new ATOM 0 HB2 GLN A 58 38.412 7.067 9.668 1.00 25.00 H new ATOM 0 HB3 GLN A 58 39.408 8.367 9.046 1.00 25.00 H new ATOM 0 HG2 GLN A 58 38.226 9.865 10.799 1.00 25.00 H new ATOM 0 HG3 GLN A 58 37.663 8.369 11.516 1.00 25.00 H new ATOM 0 HE21 GLN A 58 39.843 10.646 11.965 1.00 25.00 H new ATOM 0 HE22 GLN A 58 41.205 9.714 12.596 1.00 25.00 H new ATOM 898 N GLY A 59 36.817 7.081 6.785 1.00 25.00 N ATOM 899 CA GLY A 59 36.994 6.494 5.466 1.00 25.00 C ATOM 900 C GLY A 59 38.069 5.425 5.388 1.00 25.00 C ATOM 901 O GLY A 59 38.699 5.255 4.342 1.00 25.00 O ATOM 0 H GLY A 59 36.066 6.661 7.333 1.00 25.00 H new ATOM 0 HA2 GLY A 59 36.046 6.061 5.145 1.00 25.00 H new ATOM 0 HA3 GLY A 59 37.237 7.288 4.760 1.00 25.00 H new ATOM 905 N VAL A 60 38.307 4.713 6.480 1.00 25.00 N ATOM 906 CA VAL A 60 39.347 3.678 6.546 1.00 25.00 C ATOM 907 C VAL A 60 38.675 2.376 6.983 1.00 25.00 C ATOM 908 O VAL A 60 37.591 2.431 7.566 1.00 25.00 O ATOM 909 CB VAL A 60 40.495 4.073 7.540 1.00 25.00 C ATOM 910 CG1 VAL A 60 41.214 5.339 7.060 1.00 50.00 C ATOM 911 CG2 VAL A 60 39.985 4.289 8.976 1.00 50.00 C ATOM 0 H VAL A 60 37.788 4.831 7.350 1.00 25.00 H new ATOM 0 HA VAL A 60 39.813 3.561 5.567 1.00 25.00 H new ATOM 0 HB VAL A 60 41.192 3.235 7.556 1.00 25.00 H new ATOM 0 HG11 VAL A 60 42.006 5.596 7.763 1.00 50.00 H new ATOM 0 HG12 VAL A 60 41.646 5.161 6.075 1.00 50.00 H new ATOM 0 HG13 VAL A 60 40.501 6.162 7.000 1.00 50.00 H new ATOM 0 HG21 VAL A 60 40.820 4.560 9.622 1.00 50.00 H new ATOM 0 HG22 VAL A 60 39.246 5.090 8.983 1.00 50.00 H new ATOM 0 HG23 VAL A 60 39.527 3.370 9.342 1.00 50.00 H new ATOM 921 N PRO A 61 39.271 1.201 6.709 1.00 25.00 N ATOM 922 CA PRO A 61 38.654 0.008 7.305 1.00 25.00 C ATOM 923 C PRO A 61 38.943 -0.078 8.810 1.00 25.00 C ATOM 924 O PRO A 61 39.895 0.535 9.302 1.00 25.00 O ATOM 925 CB PRO A 61 39.321 -1.130 6.531 1.00 25.00 C ATOM 926 CG PRO A 61 40.672 -0.614 6.248 1.00 25.00 C ATOM 927 CD PRO A 61 40.464 0.842 5.917 1.00 25.00 C ATOM 0 HA PRO A 61 37.566 -0.004 7.233 1.00 25.00 H new ATOM 0 HB2 PRO A 61 39.358 -2.047 7.119 1.00 25.00 H new ATOM 0 HB3 PRO A 61 38.780 -1.361 5.613 1.00 25.00 H new ATOM 0 HG2 PRO A 61 41.330 -0.734 7.109 1.00 25.00 H new ATOM 0 HG3 PRO A 61 41.133 -1.147 5.417 1.00 25.00 H new ATOM 0 HD2 PRO A 61 41.328 1.445 6.195 1.00 25.00 H new ATOM 0 HD3 PRO A 61 40.299 0.993 4.850 1.00 25.00 H new ATOM 935 N MET A 62 38.156 -0.834 9.564 1.00 25.00 N ATOM 936 CA MET A 62 38.327 -0.882 11.023 1.00 25.00 C ATOM 937 C MET A 62 39.642 -1.522 11.452 1.00 25.00 C ATOM 938 O MET A 62 40.175 -1.191 12.508 1.00 25.00 O ATOM 939 CB MET A 62 37.127 -1.540 11.720 1.00 25.00 C ATOM 940 CG MET A 62 36.935 -3.035 11.493 1.00 25.00 C ATOM 941 SD MET A 62 35.384 -3.633 12.229 1.00 25.00 S ATOM 942 CE MET A 62 35.671 -3.461 13.997 1.00 25.00 C ATOM 0 H MET A 62 37.401 -1.417 9.203 1.00 25.00 H new ATOM 0 HA MET A 62 38.371 0.157 11.351 1.00 25.00 H new ATOM 0 HB2 MET A 62 37.221 -1.369 12.792 1.00 25.00 H new ATOM 0 HB3 MET A 62 36.222 -1.028 11.394 1.00 25.00 H new ATOM 0 HG2 MET A 62 36.934 -3.243 10.423 1.00 25.00 H new ATOM 0 HG3 MET A 62 37.776 -3.579 11.923 1.00 25.00 H new ATOM 0 HE1 MET A 62 34.977 -4.101 14.542 1.00 25.00 H new ATOM 0 HE2 MET A 62 36.694 -3.755 14.230 1.00 25.00 H new ATOM 0 HE3 MET A 62 35.516 -2.423 14.292 1.00 25.00 H new ATOM 952 N ASN A 63 40.223 -2.350 10.594 1.00 25.00 N ATOM 953 CA ASN A 63 41.554 -2.908 10.837 1.00 25.00 C ATOM 954 C ASN A 63 42.644 -1.848 10.996 1.00 25.00 C ATOM 955 O ASN A 63 43.639 -2.064 11.690 1.00 25.00 O ATOM 956 CB ASN A 63 41.936 -3.821 9.673 1.00 25.00 C ATOM 957 CG ASN A 63 43.206 -4.573 9.936 1.00 25.00 C ATOM 958 OD1 ASN A 63 44.285 -4.194 9.491 1.00 25.00 O ATOM 959 ND2 ASN A 63 43.097 -5.640 10.671 1.00 25.00 N ATOM 0 H ASN A 63 39.795 -2.653 9.719 1.00 25.00 H new ATOM 0 HA ASN A 63 41.493 -3.453 11.779 1.00 25.00 H new ATOM 0 HB2 ASN A 63 41.128 -4.529 9.489 1.00 25.00 H new ATOM 0 HB3 ASN A 63 42.050 -3.224 8.768 1.00 25.00 H new ATOM 0 HD21 ASN A 63 43.925 -6.192 10.895 1.00 25.00 H new ATOM 0 HD22 ASN A 63 42.183 -5.925 11.024 1.00 25.00 H new ATOM 966 N SER A 64 42.445 -0.694 10.375 1.00 25.00 N ATOM 967 CA SER A 64 43.415 0.393 10.435 1.00 25.00 C ATOM 968 C SER A 64 43.294 1.254 11.688 1.00 25.00 C ATOM 969 O SER A 64 44.117 2.141 11.894 1.00 25.00 O ATOM 970 CB SER A 64 43.255 1.274 9.200 1.00 25.00 C ATOM 971 OG SER A 64 43.390 0.474 8.036 1.00 25.00 O ATOM 0 H SER A 64 41.615 -0.485 9.820 1.00 25.00 H new ATOM 0 HA SER A 64 44.402 -0.068 10.469 1.00 25.00 H new ATOM 0 HB2 SER A 64 42.280 1.761 9.210 1.00 25.00 H new ATOM 0 HB3 SER A 64 44.006 2.064 9.202 1.00 25.00 H new ATOM 0 HG SER A 64 43.286 1.035 7.239 1.00 25.00 H new ATOM 977 N LEU A 65 42.305 1.011 12.538 1.00 25.00 N ATOM 978 CA LEU A 65 42.185 1.759 13.792 1.00 25.00 C ATOM 979 C LEU A 65 42.717 0.971 14.975 1.00 25.00 C ATOM 980 O LEU A 65 42.514 -0.239 15.079 1.00 25.00 O ATOM 981 CB LEU A 65 40.728 2.091 14.123 1.00 25.00 C ATOM 982 CG LEU A 65 39.933 3.040 13.221 1.00 25.00 C ATOM 983 CD1 LEU A 65 38.588 3.270 13.887 1.00 50.00 C ATOM 984 CD2 LEU A 65 40.622 4.381 13.012 1.00 50.00 C ATOM 0 H LEU A 65 41.579 0.310 12.389 1.00 25.00 H new ATOM 0 HA LEU A 65 42.766 2.668 13.636 1.00 25.00 H new ATOM 0 HB2 LEU A 65 40.182 1.148 14.162 1.00 25.00 H new ATOM 0 HB3 LEU A 65 40.712 2.511 15.129 1.00 25.00 H new ATOM 0 HG LEU A 65 39.838 2.583 12.236 1.00 25.00 H new ATOM 0 HD11 LEU A 65 37.989 3.943 13.274 1.00 50.00 H new ATOM 0 HD12 LEU A 65 38.068 2.318 13.995 1.00 50.00 H new ATOM 0 HD13 LEU A 65 38.740 3.714 14.871 1.00 50.00 H new ATOM 0 HD21 LEU A 65 40.009 5.008 12.364 1.00 50.00 H new ATOM 0 HD22 LEU A 65 40.756 4.875 13.974 1.00 50.00 H new ATOM 0 HD23 LEU A 65 41.595 4.222 12.547 1.00 50.00 H new ATOM 996 N ARG A 66 43.286 1.692 15.927 1.00 25.00 N ATOM 997 CA ARG A 66 43.536 1.181 17.271 1.00 25.00 C ATOM 998 C ARG A 66 42.419 1.814 18.085 1.00 25.00 C ATOM 999 O ARG A 66 42.062 2.962 17.824 1.00 25.00 O ATOM 1000 CB ARG A 66 44.897 1.645 17.793 1.00 25.00 C ATOM 1001 CG ARG A 66 46.105 1.097 17.039 1.00 25.00 C ATOM 1002 CD ARG A 66 47.360 1.679 17.667 1.00 25.00 C ATOM 1003 NE ARG A 66 48.621 1.230 17.057 1.00 25.00 N ATOM 1004 CZ ARG A 66 49.830 1.682 17.368 1.00 25.00 C ATOM 1005 NH1 ARG A 66 50.058 2.566 18.303 1.00 25.00 N ATOM 1006 NH2 ARG A 66 50.864 1.232 16.722 1.00 25.00 N ATOM 0 H ARG A 66 43.591 2.656 15.791 1.00 25.00 H new ATOM 0 HA ARG A 66 43.553 0.092 17.316 1.00 25.00 H new ATOM 0 HB2 ARG A 66 44.930 2.734 17.757 1.00 25.00 H new ATOM 0 HB3 ARG A 66 44.983 1.358 18.841 1.00 25.00 H new ATOM 0 HG2 ARG A 66 46.124 0.008 17.091 1.00 25.00 H new ATOM 0 HG3 ARG A 66 46.048 1.365 15.984 1.00 25.00 H new ATOM 0 HD2 ARG A 66 47.310 2.766 17.605 1.00 25.00 H new ATOM 0 HD3 ARG A 66 47.373 1.420 18.726 1.00 25.00 H new ATOM 0 HE ARG A 66 48.562 0.512 16.335 1.00 25.00 H new ATOM 0 HH11 ARG A 66 49.282 2.949 18.842 1.00 25.00 H new ATOM 0 HH12 ARG A 66 51.012 2.872 18.493 1.00 25.00 H new ATOM 0 HH21 ARG A 66 50.742 0.538 15.984 1.00 25.00 H new ATOM 0 HH22 ARG A 66 51.797 1.572 16.953 1.00 25.00 H new ATOM 1020 N PHE A 67 41.848 1.074 19.021 1.00 25.00 N ATOM 1021 CA PHE A 67 40.699 1.531 19.805 1.00 25.00 C ATOM 1022 C PHE A 67 40.872 0.910 21.192 1.00 25.00 C ATOM 1023 O PHE A 67 40.540 -0.258 21.400 1.00 25.00 O ATOM 1024 CB PHE A 67 39.416 1.057 19.105 1.00 25.00 C ATOM 1025 CG PHE A 67 38.369 2.118 18.941 1.00 25.00 C ATOM 1026 CD1 PHE A 67 38.375 2.947 17.810 1.00 25.00 C ATOM 1027 CD2 PHE A 67 37.340 2.256 19.884 1.00 25.00 C ATOM 1028 CE1 PHE A 67 37.342 3.891 17.597 1.00 25.00 C ATOM 1029 CE2 PHE A 67 36.296 3.200 19.691 1.00 25.00 C ATOM 1030 CZ PHE A 67 36.293 4.014 18.535 1.00 25.00 C ATOM 0 H PHE A 67 42.165 0.135 19.264 1.00 25.00 H new ATOM 0 HA PHE A 67 40.633 2.615 19.894 1.00 25.00 H new ATOM 0 HB2 PHE A 67 39.677 0.667 18.121 1.00 25.00 H new ATOM 0 HB3 PHE A 67 38.991 0.230 19.674 1.00 25.00 H new ATOM 0 HD1 PHE A 67 39.178 2.864 17.092 1.00 25.00 H new ATOM 0 HD2 PHE A 67 37.341 1.636 20.769 1.00 25.00 H new ATOM 0 HE1 PHE A 67 37.356 4.517 16.717 1.00 25.00 H new ATOM 0 HE2 PHE A 67 35.508 3.295 20.424 1.00 25.00 H new ATOM 0 HZ PHE A 67 35.496 4.724 18.371 1.00 25.00 H new ATOM 1040 N LEU A 68 41.573 1.611 22.070 1.00 25.00 N ATOM 1041 CA LEU A 68 42.257 0.997 23.214 1.00 25.00 C ATOM 1042 C LEU A 68 42.338 1.989 24.376 1.00 25.00 C ATOM 1043 O LEU A 68 41.805 3.090 24.271 1.00 25.00 O ATOM 1044 CB LEU A 68 43.648 0.514 22.756 1.00 25.00 C ATOM 1045 CG LEU A 68 44.653 1.421 22.018 1.00 25.00 C ATOM 1046 CD1 LEU A 68 45.133 2.632 22.808 1.00 50.00 C ATOM 1047 CD2 LEU A 68 45.866 0.568 21.635 1.00 50.00 C ATOM 0 H LEU A 68 41.688 2.623 22.016 1.00 25.00 H new ATOM 0 HA LEU A 68 41.698 0.135 23.577 1.00 25.00 H new ATOM 0 HB2 LEU A 68 44.158 0.150 23.648 1.00 25.00 H new ATOM 0 HB3 LEU A 68 43.479 -0.348 22.111 1.00 25.00 H new ATOM 0 HG LEU A 68 44.126 1.826 21.154 1.00 25.00 H new ATOM 0 HD11 LEU A 68 45.836 3.206 22.203 1.00 50.00 H new ATOM 0 HD12 LEU A 68 44.280 3.259 23.066 1.00 50.00 H new ATOM 0 HD13 LEU A 68 45.627 2.299 23.720 1.00 50.00 H new ATOM 0 HD21 LEU A 68 46.594 1.186 21.110 1.00 50.00 H new ATOM 0 HD22 LEU A 68 46.321 0.157 22.536 1.00 50.00 H new ATOM 0 HD23 LEU A 68 45.547 -0.247 20.985 1.00 50.00 H new ATOM 1059 N PHE A 69 43.007 1.637 25.467 1.00 25.00 N ATOM 1060 CA PHE A 69 43.256 2.593 26.547 1.00 25.00 C ATOM 1061 C PHE A 69 44.567 2.240 27.248 1.00 25.00 C ATOM 1062 O PHE A 69 44.823 1.062 27.490 1.00 25.00 O ATOM 1063 CB PHE A 69 42.079 2.579 27.530 1.00 25.00 C ATOM 1064 CG PHE A 69 42.172 3.622 28.610 1.00 25.00 C ATOM 1065 CD1 PHE A 69 42.240 4.986 28.279 1.00 25.00 C ATOM 1066 CD2 PHE A 69 42.166 3.250 29.965 1.00 25.00 C ATOM 1067 CE1 PHE A 69 42.312 5.979 29.286 1.00 25.00 C ATOM 1068 CE2 PHE A 69 42.208 4.232 30.985 1.00 25.00 C ATOM 1069 CZ PHE A 69 42.288 5.600 30.644 1.00 25.00 C ATOM 0 H PHE A 69 43.386 0.704 25.630 1.00 25.00 H new ATOM 0 HA PHE A 69 43.346 3.600 26.139 1.00 25.00 H new ATOM 0 HB2 PHE A 69 41.153 2.727 26.974 1.00 25.00 H new ATOM 0 HB3 PHE A 69 42.018 1.595 27.994 1.00 25.00 H new ATOM 0 HD1 PHE A 69 42.237 5.282 27.240 1.00 25.00 H new ATOM 0 HD2 PHE A 69 42.129 2.204 30.232 1.00 25.00 H new ATOM 0 HE1 PHE A 69 42.385 7.022 29.015 1.00 25.00 H new ATOM 0 HE2 PHE A 69 42.179 3.935 32.023 1.00 25.00 H new ATOM 0 HZ PHE A 69 42.331 6.351 31.419 1.00 25.00 H new ATOM 1079 N GLU A 70 45.412 3.234 27.502 1.00 25.00 N ATOM 1080 CA GLU A 70 46.738 3.065 28.129 1.00 25.00 C ATOM 1081 C GLU A 70 47.616 2.066 27.364 1.00 25.00 C ATOM 1082 O GLU A 70 48.399 1.307 27.933 1.00 25.00 O ATOM 1083 CB GLU A 70 46.635 2.694 29.619 1.00 25.00 C ATOM 1084 CG GLU A 70 45.978 3.767 30.478 1.00 25.00 C ATOM 1085 CD GLU A 70 45.939 3.391 31.954 1.00 25.00 C ATOM 1086 OE1 GLU A 70 47.002 3.240 32.596 1.00 25.00 O ATOM 1087 OE2 GLU A 70 44.830 3.256 32.510 1.00 25.00 O ATOM 0 H GLU A 70 45.198 4.205 27.276 1.00 25.00 H new ATOM 0 HA GLU A 70 47.229 4.037 28.073 1.00 25.00 H new ATOM 0 HB2 GLU A 70 46.068 1.768 29.714 1.00 25.00 H new ATOM 0 HB3 GLU A 70 47.635 2.496 30.004 1.00 25.00 H new ATOM 0 HG2 GLU A 70 46.521 4.705 30.360 1.00 25.00 H new ATOM 0 HG3 GLU A 70 44.962 3.940 30.124 1.00 25.00 H new ATOM 1094 N GLY A 71 47.452 2.046 26.047 1.00 25.00 N ATOM 1095 CA GLY A 71 48.207 1.142 25.192 1.00 25.00 C ATOM 1096 C GLY A 71 47.812 -0.322 25.265 1.00 25.00 C ATOM 1097 O GLY A 71 48.467 -1.168 24.656 1.00 25.00 O ATOM 0 H GLY A 71 46.799 2.649 25.547 1.00 25.00 H new ATOM 0 HA2 GLY A 71 48.102 1.476 24.160 1.00 25.00 H new ATOM 0 HA3 GLY A 71 49.263 1.227 25.448 1.00 25.00 H new ATOM 1101 N GLN A 72 46.760 -0.643 26.006 1.00 25.00 N ATOM 1102 CA GLN A 72 46.334 -2.025 26.209 1.00 25.00 C ATOM 1103 C GLN A 72 44.904 -2.195 25.714 1.00 25.00 C ATOM 1104 O GLN A 72 44.126 -1.235 25.675 1.00 25.00 O ATOM 1105 CB GLN A 72 46.430 -2.391 27.692 1.00 25.00 C ATOM 1106 CG GLN A 72 47.837 -2.322 28.270 1.00 25.00 C ATOM 1107 CD GLN A 72 47.892 -2.824 29.695 1.00 25.00 C ATOM 1108 OE1 GLN A 72 47.097 -2.423 30.547 1.00 25.00 O ATOM 1109 NE2 GLN A 72 48.784 -3.734 29.963 1.00 25.00 N ATOM 0 H GLN A 72 46.177 0.045 26.484 1.00 25.00 H new ATOM 0 HA GLN A 72 46.987 -2.691 25.645 1.00 25.00 H new ATOM 0 HB2 GLN A 72 45.784 -1.722 28.261 1.00 25.00 H new ATOM 0 HB3 GLN A 72 46.043 -3.401 27.830 1.00 25.00 H new ATOM 0 HG2 GLN A 72 48.512 -2.914 27.651 1.00 25.00 H new ATOM 0 HG3 GLN A 72 48.193 -1.292 28.235 1.00 25.00 H new ATOM 0 HE21 GLN A 72 49.429 -4.046 29.237 1.00 25.00 H new ATOM 0 HE22 GLN A 72 48.838 -4.135 30.899 1.00 25.00 H new ATOM 1118 N ARG A 73 44.561 -3.411 25.312 1.00 25.00 N ATOM 1119 CA ARG A 73 43.255 -3.679 24.705 1.00 25.00 C ATOM 1120 C ARG A 73 42.092 -3.470 25.661 1.00 25.00 C ATOM 1121 O ARG A 73 42.238 -3.542 26.888 1.00 25.00 O ATOM 1122 CB ARG A 73 43.177 -5.117 24.187 1.00 25.00 C ATOM 1123 CG ARG A 73 44.166 -5.452 23.075 1.00 25.00 C ATOM 1124 CD ARG A 73 44.055 -6.913 22.663 1.00 25.00 C ATOM 1125 NE ARG A 73 44.409 -7.814 23.769 1.00 25.00 N ATOM 1126 CZ ARG A 73 44.424 -9.137 23.736 1.00 25.00 C ATOM 1127 NH1 ARG A 73 44.055 -9.854 22.708 1.00 25.00 N ATOM 1128 NH2 ARG A 73 44.815 -9.772 24.799 1.00 25.00 N ATOM 0 H ARG A 73 45.164 -4.229 25.393 1.00 25.00 H new ATOM 0 HA ARG A 73 43.168 -2.962 23.889 1.00 25.00 H new ATOM 0 HB2 ARG A 73 43.346 -5.798 25.021 1.00 25.00 H new ATOM 0 HB3 ARG A 73 42.166 -5.303 23.823 1.00 25.00 H new ATOM 0 HG2 ARG A 73 43.978 -4.813 22.212 1.00 25.00 H new ATOM 0 HG3 ARG A 73 45.181 -5.242 23.412 1.00 25.00 H new ATOM 0 HD2 ARG A 73 43.037 -7.123 22.333 1.00 25.00 H new ATOM 0 HD3 ARG A 73 44.711 -7.103 21.813 1.00 25.00 H new ATOM 0 HE ARG A 73 44.670 -7.375 24.652 1.00 25.00 H new ATOM 0 HH11 ARG A 73 43.728 -9.396 21.857 1.00 25.00 H new ATOM 0 HH12 ARG A 73 44.094 -10.872 22.756 1.00 25.00 H new ATOM 0 HH21 ARG A 73 45.100 -9.251 25.628 1.00 25.00 H new ATOM 0 HH22 ARG A 73 44.838 -10.792 24.805 1.00 25.00 H new ATOM 1142 N ILE A 74 40.933 -3.254 25.066 1.00 25.00 N ATOM 1143 CA ILE A 74 39.654 -3.161 25.768 1.00 25.00 C ATOM 1144 C ILE A 74 38.744 -4.167 25.058 1.00 25.00 C ATOM 1145 O ILE A 74 39.059 -4.592 23.941 1.00 25.00 O ATOM 1146 CB ILE A 74 39.117 -1.697 25.761 1.00 25.00 C ATOM 1147 CG1 ILE A 74 38.935 -1.181 24.320 1.00 25.00 C ATOM 1148 CG2 ILE A 74 40.098 -0.790 26.556 1.00 25.00 C ATOM 1149 CD1 ILE A 74 38.349 0.227 24.188 1.00 25.00 C ATOM 0 H ILE A 74 40.847 -3.135 24.057 1.00 25.00 H new ATOM 0 HA ILE A 74 39.725 -3.405 26.828 1.00 25.00 H new ATOM 0 HB ILE A 74 38.138 -1.673 26.240 1.00 25.00 H new ATOM 0 HG12 ILE A 74 39.904 -1.199 23.822 1.00 25.00 H new ATOM 0 HG13 ILE A 74 38.288 -1.876 23.784 1.00 25.00 H new ATOM 0 HG21 ILE A 74 39.728 0.235 26.555 1.00 25.00 H new ATOM 0 HG22 ILE A 74 40.173 -1.147 27.583 1.00 25.00 H new ATOM 0 HG23 ILE A 74 41.082 -0.821 26.088 1.00 25.00 H new ATOM 0 HD11 ILE A 74 38.264 0.488 23.133 1.00 25.00 H new ATOM 0 HD12 ILE A 74 37.362 0.255 24.649 1.00 25.00 H new ATOM 0 HD13 ILE A 74 39.003 0.942 24.688 1.00 25.00 H new ATOM 1161 N ALA A 75 37.679 -4.614 25.708 1.00 25.00 N ATOM 1162 CA ALA A 75 36.835 -5.672 25.154 1.00 25.00 C ATOM 1163 C ALA A 75 35.987 -5.177 23.979 1.00 25.00 C ATOM 1164 O ALA A 75 35.281 -4.179 24.090 1.00 25.00 O ATOM 1165 CB ALA A 75 35.934 -6.240 26.260 1.00 25.00 C ATOM 0 H ALA A 75 37.376 -4.264 26.617 1.00 25.00 H new ATOM 0 HA ALA A 75 37.488 -6.456 24.770 1.00 25.00 H new ATOM 0 HB1 ALA A 75 35.305 -7.029 25.847 1.00 25.00 H new ATOM 0 HB2 ALA A 75 36.552 -6.650 27.059 1.00 25.00 H new ATOM 0 HB3 ALA A 75 35.304 -5.445 26.660 1.00 25.00 H new ATOM 1171 N ASP A 76 36.006 -5.902 22.869 1.00 25.00 N ATOM 1172 CA ASP A 76 35.217 -5.525 21.694 1.00 25.00 C ATOM 1173 C ASP A 76 33.708 -5.658 21.940 1.00 25.00 C ATOM 1174 O ASP A 76 32.905 -4.927 21.365 1.00 25.00 O ATOM 1175 CB ASP A 76 35.663 -6.314 20.451 1.00 25.00 C ATOM 1176 CG ASP A 76 35.296 -7.789 20.503 1.00 25.00 C ATOM 1177 OD1 ASP A 76 34.148 -8.160 20.165 1.00 25.00 O ATOM 1178 OD2 ASP A 76 36.166 -8.619 20.854 1.00 25.00 O ATOM 0 H ASP A 76 36.556 -6.753 22.753 1.00 25.00 H new ATOM 0 HA ASP A 76 35.408 -4.469 21.504 1.00 25.00 H new ATOM 0 HB2 ASP A 76 35.211 -5.867 19.566 1.00 25.00 H new ATOM 0 HB3 ASP A 76 36.743 -6.221 20.340 1.00 25.00 H new ATOM 1183 N ASN A 77 33.300 -6.525 22.856 1.00 25.00 N ATOM 1184 CA ASN A 77 31.876 -6.666 23.175 1.00 25.00 C ATOM 1185 C ASN A 77 31.419 -5.728 24.296 1.00 25.00 C ATOM 1186 O ASN A 77 30.286 -5.826 24.770 1.00 25.00 O ATOM 1187 CB ASN A 77 31.565 -8.119 23.552 1.00 25.00 C ATOM 1188 CG ASN A 77 30.093 -8.445 23.461 1.00 25.00 C ATOM 1189 OD1 ASN A 77 29.416 -8.669 24.462 1.00 25.00 O ATOM 1190 ND2 ASN A 77 29.587 -8.498 22.264 1.00 25.00 N ATOM 0 H ASN A 77 33.920 -7.136 23.388 1.00 25.00 H new ATOM 0 HA ASN A 77 31.322 -6.384 22.279 1.00 25.00 H new ATOM 0 HB2 ASN A 77 32.122 -8.787 22.895 1.00 25.00 H new ATOM 0 HB3 ASN A 77 31.912 -8.308 24.568 1.00 25.00 H new ATOM 0 HD21 ASN A 77 28.602 -8.731 22.136 1.00 25.00 H new ATOM 0 HD22 ASN A 77 30.175 -8.307 21.453 1.00 25.00 H new ATOM 1197 N HIS A 78 32.281 -4.828 24.748 1.00 25.00 N ATOM 1198 CA HIS A 78 31.936 -3.974 25.883 1.00 25.00 C ATOM 1199 C HIS A 78 30.716 -3.093 25.616 1.00 25.00 C ATOM 1200 O HIS A 78 30.598 -2.456 24.563 1.00 25.00 O ATOM 1201 CB HIS A 78 33.118 -3.076 26.256 1.00 25.00 C ATOM 1202 CG HIS A 78 32.804 -2.093 27.340 1.00 25.00 C ATOM 1203 ND1 HIS A 78 32.566 -0.758 27.121 1.00 25.00 N ATOM 1204 CD2 HIS A 78 32.654 -2.262 28.679 1.00 25.00 C ATOM 1205 CE1 HIS A 78 32.269 -0.192 28.287 1.00 25.00 C ATOM 1206 NE2 HIS A 78 32.300 -1.070 29.269 1.00 25.00 N ATOM 0 H HIS A 78 33.209 -4.669 24.357 1.00 25.00 H new ATOM 0 HA HIS A 78 31.692 -4.647 26.705 1.00 25.00 H new ATOM 0 HB2 HIS A 78 33.952 -3.701 26.574 1.00 25.00 H new ATOM 0 HB3 HIS A 78 33.446 -2.534 25.369 1.00 25.00 H new ATOM 0 HD1 HIS A 78 32.610 -0.283 26.219 1.00 25.00 H new ATOM 0 HD2 HIS A 78 32.792 -3.195 29.204 1.00 25.00 H new ATOM 0 HE1 HIS A 78 32.032 0.854 28.413 1.00 25.00 H new ATOM 1214 N THR A 79 29.829 -3.051 26.601 1.00 25.00 N ATOM 1215 CA THR A 79 28.700 -2.125 26.634 1.00 25.00 C ATOM 1216 C THR A 79 28.660 -1.531 28.046 1.00 25.00 C ATOM 1217 O THR A 79 28.597 -2.272 29.041 1.00 25.00 O ATOM 1218 CB THR A 79 27.334 -2.797 26.317 1.00 25.00 C ATOM 1219 OG1 THR A 79 26.298 -2.126 27.042 1.00 25.00 O ATOM 1220 CG2 THR A 79 27.290 -4.272 26.714 1.00 25.00 C ATOM 0 H THR A 79 29.872 -3.667 27.412 1.00 25.00 H new ATOM 0 HA THR A 79 28.846 -1.370 25.861 1.00 25.00 H new ATOM 0 HB THR A 79 27.194 -2.725 25.238 1.00 25.00 H new ATOM 0 HG1 THR A 79 25.435 -2.546 26.843 1.00 25.00 H new ATOM 0 HG21 THR A 79 26.312 -4.686 26.468 1.00 25.00 H new ATOM 0 HG22 THR A 79 28.062 -4.818 26.172 1.00 25.00 H new ATOM 0 HG23 THR A 79 27.465 -4.366 27.786 1.00 25.00 H new ATOM 1228 N PRO A 80 28.710 -0.195 28.178 1.00 25.00 N ATOM 1229 CA PRO A 80 28.684 0.329 29.551 1.00 25.00 C ATOM 1230 C PRO A 80 27.311 0.268 30.216 1.00 25.00 C ATOM 1231 O PRO A 80 27.192 0.446 31.431 1.00 25.00 O ATOM 1232 CB PRO A 80 29.129 1.775 29.354 1.00 25.00 C ATOM 1233 CG PRO A 80 28.605 2.136 28.025 1.00 25.00 C ATOM 1234 CD PRO A 80 28.827 0.902 27.196 1.00 25.00 C ATOM 0 HA PRO A 80 29.313 -0.259 30.220 1.00 25.00 H new ATOM 0 HB2 PRO A 80 28.726 2.425 30.131 1.00 25.00 H new ATOM 0 HB3 PRO A 80 30.214 1.867 29.393 1.00 25.00 H new ATOM 0 HG2 PRO A 80 27.549 2.400 28.071 1.00 25.00 H new ATOM 0 HG3 PRO A 80 29.131 2.996 27.609 1.00 25.00 H new ATOM 0 HD2 PRO A 80 28.085 0.812 26.403 1.00 25.00 H new ATOM 0 HD3 PRO A 80 29.806 0.910 26.717 1.00 25.00 H new ATOM 1242 N LYS A 81 26.271 -0.004 29.435 1.00 25.00 N ATOM 1243 CA LYS A 81 24.899 -0.040 29.942 1.00 25.00 C ATOM 1244 C LYS A 81 24.711 -1.166 30.948 1.00 25.00 C ATOM 1245 O LYS A 81 24.024 -1.007 31.956 1.00 25.00 O ATOM 1246 CB LYS A 81 23.933 -0.192 28.764 1.00 25.00 C ATOM 1247 CG LYS A 81 22.461 -0.033 29.115 1.00 25.00 C ATOM 1248 CD LYS A 81 21.588 -0.076 27.863 1.00 25.00 C ATOM 1249 CE LYS A 81 20.136 0.220 28.219 1.00 25.00 C ATOM 1250 NZ LYS A 81 19.233 0.320 27.029 1.00 25.00 N ATOM 0 H LYS A 81 26.351 -0.205 28.438 1.00 25.00 H new ATOM 0 HA LYS A 81 24.689 0.894 30.463 1.00 25.00 H new ATOM 0 HB2 LYS A 81 24.192 0.545 28.004 1.00 25.00 H new ATOM 0 HB3 LYS A 81 24.080 -1.175 28.317 1.00 25.00 H new ATOM 0 HG2 LYS A 81 22.160 -0.826 29.799 1.00 25.00 H new ATOM 0 HG3 LYS A 81 22.308 0.912 29.636 1.00 25.00 H new ATOM 0 HD2 LYS A 81 21.947 0.653 27.136 1.00 25.00 H new ATOM 0 HD3 LYS A 81 21.662 -1.057 27.394 1.00 25.00 H new ATOM 0 HE2 LYS A 81 19.766 -0.564 28.880 1.00 25.00 H new ATOM 0 HE3 LYS A 81 20.091 1.155 28.777 1.00 25.00 H new ATOM 0 HZ1 LYS A 81 18.263 0.522 27.345 1.00 25.00 H new ATOM 0 HZ2 LYS A 81 19.562 1.086 26.407 1.00 25.00 H new ATOM 0 HZ3 LYS A 81 19.246 -0.579 26.507 1.00 25.00 H new ATOM 1264 N GLU A 82 25.375 -2.286 30.711 1.00 25.00 N ATOM 1265 CA GLU A 82 25.282 -3.441 31.610 1.00 25.00 C ATOM 1266 C GLU A 82 26.117 -3.269 32.878 1.00 25.00 C ATOM 1267 O GLU A 82 25.970 -4.016 33.850 1.00 25.00 O ATOM 1268 CB GLU A 82 25.726 -4.717 30.886 1.00 25.00 C ATOM 1269 CG GLU A 82 24.925 -5.035 29.626 1.00 25.00 C ATOM 1270 CD GLU A 82 23.422 -5.100 29.863 1.00 25.00 C ATOM 1271 OE1 GLU A 82 22.957 -5.789 30.803 1.00 25.00 O ATOM 1272 OE2 GLU A 82 22.674 -4.425 29.119 1.00 25.00 O ATOM 0 H GLU A 82 25.986 -2.427 29.906 1.00 25.00 H new ATOM 0 HA GLU A 82 24.236 -3.520 31.907 1.00 25.00 H new ATOM 0 HB2 GLU A 82 26.779 -4.622 30.619 1.00 25.00 H new ATOM 0 HB3 GLU A 82 25.647 -5.558 31.575 1.00 25.00 H new ATOM 0 HG2 GLU A 82 25.134 -4.277 28.871 1.00 25.00 H new ATOM 0 HG3 GLU A 82 25.263 -5.989 29.221 1.00 25.00 H new ATOM 1279 N LEU A 83 26.993 -2.274 32.878 1.00 25.00 N ATOM 1280 CA LEU A 83 27.826 -1.977 34.042 1.00 25.00 C ATOM 1281 C LEU A 83 27.237 -0.830 34.860 1.00 25.00 C ATOM 1282 O LEU A 83 27.671 -0.566 35.986 1.00 25.00 O ATOM 1283 CB LEU A 83 29.248 -1.632 33.594 1.00 25.00 C ATOM 1284 CG LEU A 83 30.020 -2.687 32.787 1.00 25.00 C ATOM 1285 CD1 LEU A 83 31.377 -2.116 32.417 1.00 75.00 C ATOM 1286 CD2 LEU A 83 30.213 -4.004 33.539 1.00 75.00 C ATOM 0 H LEU A 83 27.148 -1.654 32.083 1.00 25.00 H new ATOM 0 HA LEU A 83 27.856 -2.863 34.676 1.00 25.00 H new ATOM 0 HB2 LEU A 83 29.199 -0.722 32.996 1.00 25.00 H new ATOM 0 HB3 LEU A 83 29.832 -1.397 34.484 1.00 25.00 H new ATOM 0 HG LEU A 83 29.427 -2.918 31.902 1.00 25.00 H new ATOM 0 HD11 LEU A 83 31.938 -2.854 31.843 1.00 75.00 H new ATOM 0 HD12 LEU A 83 31.242 -1.216 31.817 1.00 75.00 H new ATOM 0 HD13 LEU A 83 31.927 -1.868 33.325 1.00 75.00 H new ATOM 0 HD21 LEU A 83 30.765 -4.704 32.912 1.00 75.00 H new ATOM 0 HD22 LEU A 83 30.772 -3.820 34.457 1.00 75.00 H new ATOM 0 HD23 LEU A 83 29.240 -4.428 33.786 1.00 75.00 H new ATOM 1298 N GLY A 84 26.240 -0.159 34.298 1.00 25.00 N ATOM 1299 CA GLY A 84 25.597 0.954 34.978 1.00 25.00 C ATOM 1300 C GLY A 84 26.474 2.185 35.075 1.00 25.00 C ATOM 1301 O GLY A 84 26.469 2.854 36.108 1.00 25.00 O ATOM 0 H GLY A 84 25.861 -0.367 33.374 1.00 25.00 H new ATOM 0 HA2 GLY A 84 24.679 1.211 34.450 1.00 25.00 H new ATOM 0 HA3 GLY A 84 25.310 0.641 35.982 1.00 25.00 H new ATOM 1305 N MET A 85 27.285 2.460 34.062 1.00 25.00 N ATOM 1306 CA MET A 85 28.265 3.546 34.171 1.00 25.00 C ATOM 1307 C MET A 85 27.656 4.950 34.142 1.00 25.00 C ATOM 1308 O MET A 85 28.045 5.800 34.944 1.00 25.00 O ATOM 1309 CB MET A 85 29.309 3.452 33.056 1.00 25.00 C ATOM 1310 CG MET A 85 30.088 2.143 33.010 1.00 25.00 C ATOM 1311 SD MET A 85 30.981 1.747 34.534 1.00 25.00 S ATOM 1312 CE MET A 85 32.303 2.991 34.550 1.00 25.00 C ATOM 0 H MET A 85 27.290 1.962 33.172 1.00 25.00 H new ATOM 0 HA MET A 85 28.722 3.408 35.151 1.00 25.00 H new ATOM 0 HB2 MET A 85 28.809 3.593 32.098 1.00 25.00 H new ATOM 0 HB3 MET A 85 30.016 4.274 33.171 1.00 25.00 H new ATOM 0 HG2 MET A 85 29.396 1.331 32.788 1.00 25.00 H new ATOM 0 HG3 MET A 85 30.801 2.188 32.187 1.00 25.00 H new ATOM 0 HE1 MET A 85 32.921 2.854 35.437 1.00 25.00 H new ATOM 0 HE2 MET A 85 32.919 2.879 33.658 1.00 25.00 H new ATOM 0 HE3 MET A 85 31.864 3.988 34.565 1.00 25.00 H new ATOM 1322 N GLU A 86 26.706 5.180 33.241 1.00 25.00 N ATOM 1323 CA GLU A 86 25.963 6.444 33.054 1.00 25.00 C ATOM 1324 C GLU A 86 26.731 7.721 32.649 1.00 25.00 C ATOM 1325 O GLU A 86 26.142 8.639 32.073 1.00 25.00 O ATOM 1326 CB GLU A 86 25.048 6.715 34.253 1.00 25.00 C ATOM 1327 CG GLU A 86 24.184 5.508 34.623 1.00 25.00 C ATOM 1328 CD GLU A 86 23.120 5.835 35.651 1.00 25.00 C ATOM 1329 OE1 GLU A 86 22.238 6.676 35.358 1.00 25.00 O ATOM 1330 OE2 GLU A 86 23.133 5.240 36.761 1.00 25.00 O ATOM 0 H GLU A 86 26.411 4.459 32.582 1.00 25.00 H new ATOM 0 HA GLU A 86 25.397 6.235 32.146 1.00 25.00 H new ATOM 0 HB2 GLU A 86 25.656 6.998 35.112 1.00 25.00 H new ATOM 0 HB3 GLU A 86 24.402 7.563 34.027 1.00 25.00 H new ATOM 0 HG2 GLU A 86 23.706 5.121 33.723 1.00 25.00 H new ATOM 0 HG3 GLU A 86 24.824 4.715 35.010 1.00 25.00 H new ATOM 1337 N GLU A 87 28.042 7.733 32.836 1.00 25.00 N ATOM 1338 CA GLU A 87 28.996 8.606 32.143 1.00 25.00 C ATOM 1339 C GLU A 87 30.164 7.644 31.964 1.00 25.00 C ATOM 1340 O GLU A 87 30.336 6.760 32.805 1.00 25.00 O ATOM 1341 CB GLU A 87 29.484 9.784 32.995 1.00 25.00 C ATOM 1342 CG GLU A 87 28.506 10.925 33.211 1.00 25.00 C ATOM 1343 CD GLU A 87 29.066 11.960 34.184 1.00 25.00 C ATOM 1344 OE1 GLU A 87 28.983 11.747 35.418 1.00 25.00 O ATOM 1345 OE2 GLU A 87 29.602 13.004 33.746 1.00 25.00 O ATOM 0 H GLU A 87 28.497 7.109 33.503 1.00 25.00 H new ATOM 0 HA GLU A 87 28.569 9.057 31.247 1.00 25.00 H new ATOM 0 HB2 GLU A 87 29.777 9.398 33.972 1.00 25.00 H new ATOM 0 HB3 GLU A 87 30.382 10.190 32.530 1.00 25.00 H new ATOM 0 HG2 GLU A 87 28.285 11.403 32.257 1.00 25.00 H new ATOM 0 HG3 GLU A 87 27.565 10.532 33.597 1.00 25.00 H new ATOM 1352 N GLU A 88 30.967 7.790 30.921 1.00 25.00 N ATOM 1353 CA GLU A 88 32.125 6.926 30.699 1.00 25.00 C ATOM 1354 C GLU A 88 33.432 7.654 30.430 1.00 25.00 C ATOM 1355 O GLU A 88 33.466 8.769 29.890 1.00 25.00 O ATOM 1356 CB GLU A 88 31.860 5.963 29.547 1.00 25.00 C ATOM 1357 CG GLU A 88 31.436 4.585 30.006 1.00 25.00 C ATOM 1358 CD GLU A 88 32.603 3.718 30.472 1.00 25.00 C ATOM 1359 OE1 GLU A 88 33.398 4.118 31.350 1.00 25.00 O ATOM 1360 OE2 GLU A 88 32.729 2.584 29.952 1.00 25.00 O ATOM 0 H GLU A 88 30.839 8.506 30.206 1.00 25.00 H new ATOM 0 HA GLU A 88 32.253 6.396 31.643 1.00 25.00 H new ATOM 0 HB2 GLU A 88 31.084 6.380 28.905 1.00 25.00 H new ATOM 0 HB3 GLU A 88 32.762 5.875 28.941 1.00 25.00 H new ATOM 0 HG2 GLU A 88 30.719 4.686 30.821 1.00 25.00 H new ATOM 0 HG3 GLU A 88 30.921 4.080 29.189 1.00 25.00 H new ATOM 1367 N ASP A 89 34.500 6.984 30.838 1.00 25.00 N ATOM 1368 CA ASP A 89 35.862 7.514 30.787 1.00 25.00 C ATOM 1369 C ASP A 89 36.496 7.453 29.391 1.00 25.00 C ATOM 1370 O ASP A 89 35.854 7.030 28.429 1.00 25.00 O ATOM 1371 CB ASP A 89 36.724 6.786 31.831 1.00 25.00 C ATOM 1372 CG ASP A 89 37.439 5.557 31.284 1.00 25.00 C ATOM 1373 OD1 ASP A 89 36.837 4.680 30.631 1.00 25.00 O ATOM 1374 OD2 ASP A 89 38.663 5.438 31.520 1.00 25.00 O ATOM 0 H ASP A 89 34.447 6.040 31.221 1.00 25.00 H new ATOM 0 HA ASP A 89 35.810 8.577 31.024 1.00 25.00 H new ATOM 0 HB2 ASP A 89 37.465 7.481 32.226 1.00 25.00 H new ATOM 0 HB3 ASP A 89 36.091 6.486 32.666 1.00 25.00 H new ATOM 1379 N VAL A 90 37.742 7.890 29.271 1.00 25.00 N ATOM 1380 CA VAL A 90 38.420 7.995 27.976 1.00 25.00 C ATOM 1381 C VAL A 90 38.629 6.653 27.275 1.00 25.00 C ATOM 1382 O VAL A 90 39.184 5.721 27.853 1.00 25.00 O ATOM 1383 CB VAL A 90 39.803 8.688 28.172 1.00 25.00 C ATOM 1384 CG1 VAL A 90 40.601 8.771 26.869 1.00 50.00 C ATOM 1385 CG2 VAL A 90 39.622 10.099 28.761 1.00 50.00 C ATOM 0 H VAL A 90 38.314 8.182 30.063 1.00 25.00 H new ATOM 0 HA VAL A 90 37.766 8.584 27.334 1.00 25.00 H new ATOM 0 HB VAL A 90 40.369 8.071 28.869 1.00 25.00 H new ATOM 0 HG11 VAL A 90 41.556 9.261 27.058 1.00 50.00 H new ATOM 0 HG12 VAL A 90 40.779 7.766 26.487 1.00 50.00 H new ATOM 0 HG13 VAL A 90 40.038 9.345 26.133 1.00 50.00 H new ATOM 0 HG21 VAL A 90 40.598 10.567 28.891 1.00 50.00 H new ATOM 0 HG22 VAL A 90 39.018 10.702 28.083 1.00 50.00 H new ATOM 0 HG23 VAL A 90 39.122 10.029 29.727 1.00 50.00 H new ATOM 1395 N ILE A 91 38.241 6.584 26.009 1.00 25.00 N ATOM 1396 CA ILE A 91 38.745 5.587 25.063 1.00 25.00 C ATOM 1397 C ILE A 91 39.686 6.350 24.138 1.00 25.00 C ATOM 1398 O ILE A 91 39.368 7.454 23.679 1.00 25.00 O ATOM 1399 CB ILE A 91 37.606 4.903 24.254 1.00 25.00 C ATOM 1400 CG1 ILE A 91 36.676 4.175 25.244 1.00 25.00 C ATOM 1401 CG2 ILE A 91 38.193 3.928 23.188 1.00 25.00 C ATOM 1402 CD1 ILE A 91 35.513 3.407 24.630 1.00 25.00 C ATOM 0 H ILE A 91 37.560 7.224 25.601 1.00 25.00 H new ATOM 0 HA ILE A 91 39.247 4.775 25.589 1.00 25.00 H new ATOM 0 HB ILE A 91 37.031 5.652 23.709 1.00 25.00 H new ATOM 0 HG12 ILE A 91 37.276 3.478 25.829 1.00 25.00 H new ATOM 0 HG13 ILE A 91 36.272 4.911 25.940 1.00 25.00 H new ATOM 0 HG21 ILE A 91 37.378 3.461 22.634 1.00 25.00 H new ATOM 0 HG22 ILE A 91 38.829 4.483 22.498 1.00 25.00 H new ATOM 0 HG23 ILE A 91 38.782 3.157 23.685 1.00 25.00 H new ATOM 0 HD11 ILE A 91 34.929 2.937 25.421 1.00 25.00 H new ATOM 0 HD12 ILE A 91 34.878 4.094 24.070 1.00 25.00 H new ATOM 0 HD13 ILE A 91 35.898 2.640 23.958 1.00 25.00 H new ATOM 1414 N GLU A 92 40.851 5.780 23.882 1.00 25.00 N ATOM 1415 CA GLU A 92 41.855 6.399 23.029 1.00 25.00 C ATOM 1416 C GLU A 92 41.799 5.738 21.656 1.00 25.00 C ATOM 1417 O GLU A 92 41.747 4.510 21.537 1.00 25.00 O ATOM 1418 CB GLU A 92 43.239 6.223 23.651 1.00 25.00 C ATOM 1419 CG GLU A 92 43.382 6.956 24.969 1.00 25.00 C ATOM 1420 CD GLU A 92 44.758 6.788 25.573 1.00 25.00 C ATOM 1421 OE1 GLU A 92 45.076 5.718 26.136 1.00 25.00 O ATOM 1422 OE2 GLU A 92 45.561 7.744 25.478 1.00 25.00 O ATOM 0 H GLU A 92 41.129 4.874 24.259 1.00 25.00 H new ATOM 0 HA GLU A 92 41.658 7.466 22.927 1.00 25.00 H new ATOM 0 HB2 GLU A 92 43.431 5.161 23.807 1.00 25.00 H new ATOM 0 HB3 GLU A 92 43.995 6.585 22.954 1.00 25.00 H new ATOM 0 HG2 GLU A 92 43.182 8.016 24.816 1.00 25.00 H new ATOM 0 HG3 GLU A 92 42.633 6.588 25.670 1.00 25.00 H new ATOM 1429 N VAL A 93 41.794 6.562 20.621 1.00 25.00 N ATOM 1430 CA VAL A 93 41.716 6.092 19.239 1.00 25.00 C ATOM 1431 C VAL A 93 42.955 6.618 18.526 1.00 25.00 C ATOM 1432 O VAL A 93 43.396 7.739 18.802 1.00 25.00 O ATOM 1433 CB VAL A 93 40.405 6.578 18.557 1.00 25.00 C ATOM 1434 CG1 VAL A 93 40.270 6.017 17.136 1.00 50.00 C ATOM 1435 CG2 VAL A 93 39.188 6.174 19.403 1.00 50.00 C ATOM 0 H VAL A 93 41.844 7.577 20.711 1.00 25.00 H new ATOM 0 HA VAL A 93 41.689 5.003 19.196 1.00 25.00 H new ATOM 0 HB VAL A 93 40.448 7.665 18.485 1.00 25.00 H new ATOM 0 HG11 VAL A 93 39.343 6.377 16.689 1.00 50.00 H new ATOM 0 HG12 VAL A 93 41.116 6.347 16.533 1.00 50.00 H new ATOM 0 HG13 VAL A 93 40.255 4.928 17.175 1.00 50.00 H new ATOM 0 HG21 VAL A 93 38.276 6.519 18.916 1.00 50.00 H new ATOM 0 HG22 VAL A 93 39.158 5.089 19.502 1.00 50.00 H new ATOM 0 HG23 VAL A 93 39.266 6.627 20.391 1.00 50.00 H new ATOM 1445 N TYR A 94 43.539 5.811 17.655 1.00 25.00 N ATOM 1446 CA TYR A 94 44.752 6.167 16.925 1.00 25.00 C ATOM 1447 C TYR A 94 44.666 5.369 15.632 1.00 25.00 C ATOM 1448 O TYR A 94 43.895 4.413 15.593 1.00 25.00 O ATOM 1449 CB TYR A 94 45.974 5.723 17.736 1.00 25.00 C ATOM 1450 CG TYR A 94 47.119 6.711 17.729 1.00 25.00 C ATOM 1451 CD1 TYR A 94 48.110 6.667 16.729 1.00 25.00 C ATOM 1452 CD2 TYR A 94 47.233 7.683 18.746 1.00 25.00 C ATOM 1453 CE1 TYR A 94 49.197 7.577 16.742 1.00 25.00 C ATOM 1454 CE2 TYR A 94 48.333 8.582 18.773 1.00 25.00 C ATOM 1455 CZ TYR A 94 49.305 8.518 17.769 1.00 25.00 C ATOM 1456 OH TYR A 94 50.374 9.378 17.788 1.00 25.00 O ATOM 0 H TYR A 94 43.184 4.882 17.431 1.00 25.00 H new ATOM 0 HA TYR A 94 44.843 7.238 16.743 1.00 25.00 H new ATOM 0 HB2 TYR A 94 45.667 5.548 18.767 1.00 25.00 H new ATOM 0 HB3 TYR A 94 46.329 4.770 17.343 1.00 25.00 H new ATOM 0 HD1 TYR A 94 48.041 5.930 15.942 1.00 25.00 H new ATOM 0 HD2 TYR A 94 46.475 7.744 19.513 1.00 25.00 H new ATOM 0 HE1 TYR A 94 49.940 7.543 15.959 1.00 25.00 H new ATOM 0 HE2 TYR A 94 48.418 9.311 19.565 1.00 25.00 H new ATOM 0 HH TYR A 94 50.303 9.971 18.565 1.00 25.00 H new ATOM 1466 N GLN A 95 45.441 5.686 14.605 1.00 25.00 N ATOM 1467 CA GLN A 95 45.519 4.812 13.430 1.00 25.00 C ATOM 1468 C GLN A 95 46.782 3.958 13.472 1.00 25.00 C ATOM 1469 O GLN A 95 47.789 4.317 14.079 1.00 25.00 O ATOM 1470 CB GLN A 95 45.453 5.607 12.124 1.00 25.00 C ATOM 1471 CG GLN A 95 44.018 5.831 11.644 1.00 25.00 C ATOM 1472 CD GLN A 95 43.929 6.675 10.388 1.00 25.00 C ATOM 1473 OE1 GLN A 95 44.904 6.856 9.668 1.00 25.00 O ATOM 1474 NE2 GLN A 95 42.774 7.220 10.126 1.00 25.00 N ATOM 0 H GLN A 95 46.018 6.526 14.555 1.00 25.00 H new ATOM 0 HA GLN A 95 44.651 4.153 13.459 1.00 25.00 H new ATOM 0 HB2 GLN A 95 45.940 6.572 12.265 1.00 25.00 H new ATOM 0 HB3 GLN A 95 46.012 5.078 11.352 1.00 25.00 H new ATOM 0 HG2 GLN A 95 43.550 4.864 11.457 1.00 25.00 H new ATOM 0 HG3 GLN A 95 43.448 6.313 12.438 1.00 25.00 H new ATOM 0 HE21 GLN A 95 41.979 7.052 10.743 1.00 25.00 H new ATOM 0 HE22 GLN A 95 42.665 7.814 9.304 1.00 25.00 H new ATOM 1483 N GLU A 96 46.703 2.811 12.822 1.00 25.00 N ATOM 1484 CA GLU A 96 47.806 1.869 12.681 1.00 25.00 C ATOM 1485 C GLU A 96 48.859 2.523 11.768 1.00 25.00 C ATOM 1486 O GLU A 96 48.511 3.203 10.802 1.00 25.00 O ATOM 1487 CB GLU A 96 47.201 0.581 12.104 1.00 25.00 C ATOM 1488 CG GLU A 96 48.095 -0.643 12.058 1.00 25.00 C ATOM 1489 CD GLU A 96 49.227 -0.502 11.071 1.00 25.00 C ATOM 1490 OE1 GLU A 96 48.992 -0.137 9.904 1.00 25.00 O ATOM 1491 OE2 GLU A 96 50.399 -0.701 11.471 1.00 25.00 O ATOM 0 H GLU A 96 45.847 2.498 12.364 1.00 25.00 H new ATOM 0 HA GLU A 96 48.307 1.620 13.616 1.00 25.00 H new ATOM 0 HB2 GLU A 96 46.316 0.331 12.689 1.00 25.00 H new ATOM 0 HB3 GLU A 96 46.863 0.791 11.089 1.00 25.00 H new ATOM 0 HG2 GLU A 96 48.505 -0.825 13.051 1.00 25.00 H new ATOM 0 HG3 GLU A 96 47.496 -1.515 11.795 1.00 25.00 H new ATOM 1498 N GLN A 97 50.134 2.401 12.108 1.00 25.00 N ATOM 1499 CA GLN A 97 51.203 3.152 11.446 1.00 25.00 C ATOM 1500 C GLN A 97 51.709 2.624 10.092 1.00 25.00 C ATOM 1501 O GLN A 97 52.070 3.411 9.211 1.00 25.00 O ATOM 1502 CB GLN A 97 52.358 3.222 12.453 1.00 25.00 C ATOM 1503 CG GLN A 97 53.379 4.348 12.252 1.00 25.00 C ATOM 1504 CD GLN A 97 54.486 4.018 11.270 1.00 25.00 C ATOM 1505 OE1 GLN A 97 54.826 2.861 11.050 1.00 25.00 O ATOM 1506 NE2 GLN A 97 55.078 5.031 10.696 1.00 25.00 N ATOM 0 H GLN A 97 50.461 1.781 12.849 1.00 25.00 H new ATOM 0 HA GLN A 97 50.783 4.120 11.173 1.00 25.00 H new ATOM 0 HB2 GLN A 97 51.933 3.322 13.452 1.00 25.00 H new ATOM 0 HB3 GLN A 97 52.890 2.271 12.427 1.00 25.00 H new ATOM 0 HG2 GLN A 97 52.856 5.239 11.906 1.00 25.00 H new ATOM 0 HG3 GLN A 97 53.825 4.594 13.215 1.00 25.00 H new ATOM 0 HE21 GLN A 97 54.772 5.983 10.899 1.00 25.00 H new ATOM 0 HE22 GLN A 97 55.846 4.870 10.044 1.00 25.00 H new ATOM 1515 N THR A 98 51.764 1.312 9.903 1.00 25.00 N ATOM 1516 CA THR A 98 52.407 0.730 8.716 1.00 25.00 C ATOM 1517 C THR A 98 51.548 0.720 7.448 1.00 25.00 C ATOM 1518 O THR A 98 52.070 0.576 6.338 1.00 25.00 O ATOM 1519 CB THR A 98 52.859 -0.726 8.971 1.00 25.00 C ATOM 1520 OG1 THR A 98 51.720 -1.554 9.221 1.00 25.00 O ATOM 1521 CG2 THR A 98 53.780 -0.822 10.177 1.00 25.00 C ATOM 0 H THR A 98 51.374 0.626 10.550 1.00 25.00 H new ATOM 0 HA THR A 98 53.254 1.393 8.543 1.00 25.00 H new ATOM 0 HB THR A 98 53.394 -1.058 8.081 1.00 25.00 H new ATOM 0 HG1 THR A 98 51.342 -1.334 10.098 1.00 25.00 H new ATOM 0 HG21 THR A 98 54.078 -1.860 10.326 1.00 25.00 H new ATOM 0 HG22 THR A 98 54.667 -0.211 10.007 1.00 25.00 H new ATOM 0 HG23 THR A 98 53.257 -0.464 11.064 1.00 25.00 H new ATOM 1529 N GLY A 99 50.240 0.885 7.594 1.00 25.00 N ATOM 1530 CA GLY A 99 49.342 1.017 6.454 1.00 25.00 C ATOM 1531 C GLY A 99 48.785 -0.271 5.873 1.00 25.00 C ATOM 1532 O GLY A 99 48.286 -0.280 4.741 1.00 25.00 O ATOM 0 H GLY A 99 49.774 0.931 8.500 1.00 25.00 H new ATOM 0 HA2 GLY A 99 48.504 1.647 6.752 1.00 25.00 H new ATOM 0 HA3 GLY A 99 49.872 1.546 5.662 1.00 25.00 H new ATOM 1536 N GLY A 100 48.841 -1.371 6.611 1.00 25.00 N ATOM 1537 CA GLY A 100 48.341 -2.637 6.093 1.00 25.00 C ATOM 1538 C GLY A 100 48.206 -3.684 7.166 1.00 25.00 C ATOM 1539 O GLY A 100 48.611 -3.415 8.311 1.00 25.00 O ATOM 0 H GLY A 100 49.222 -1.414 7.556 1.00 25.00 H new ATOM 0 HA2 GLY A 100 47.371 -2.476 5.622 1.00 25.00 H new ATOM 0 HA3 GLY A 100 49.015 -3.001 5.317 1.00 25.00 H new TER 1543 GLY A 100