USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 514 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 Single : A 1 SER N :NH3+ -104:sc= 0.838 (180deg=0.0729) USER MOD Single : A 1 SER OG : rot 180:sc= 0.265 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -4:sc= -0.051 USER MOD Single : A 15 GLN : amide:sc= -0.178 K(o=-0.18,f=-2.1!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc=-0.00505 K(o=-0.005,f=-1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -2.64 F(o=-3.4,f=-2.6) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00591 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.871! USER MOD Single : A 39 ASN : amide:sc= 0.0106 X(o=0.011,f=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -3.36! C(o=-7.6!,f=-3.4!) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0755 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.00379 USER MOD Single : A 51 SER OG : rot 146:sc= -0.748 USER MOD Single : A 53 ASN : amide:sc= -13.4! C(o=-13!,f=-21!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 36.007 -1.333 -21.264 1.00 0.00 N ATOM 2 CA SER A 1 36.186 -0.572 -19.994 1.00 0.00 C ATOM 3 C SER A 1 36.567 -1.524 -18.857 1.00 0.00 C ATOM 4 O SER A 1 36.368 -2.719 -18.942 1.00 0.00 O ATOM 5 CB SER A 1 34.827 0.071 -19.722 1.00 0.00 C ATOM 6 OG SER A 1 34.092 0.145 -20.937 1.00 0.00 O ATOM 0 H1 SER A 1 36.834 -1.184 -21.877 1.00 0.00 H new ATOM 0 H2 SER A 1 35.912 -2.346 -21.051 1.00 0.00 H new ATOM 0 H3 SER A 1 35.150 -1.000 -21.751 1.00 0.00 H new ATOM 0 HA SER A 1 36.980 0.171 -20.066 1.00 0.00 H new ATOM 0 HB2 SER A 1 34.276 -0.513 -18.985 1.00 0.00 H new ATOM 0 HB3 SER A 1 34.961 1.068 -19.303 1.00 0.00 H new ATOM 0 HG SER A 1 33.219 0.555 -20.766 1.00 0.00 H new ATOM 14 N ASP A 2 37.114 -1.003 -17.792 1.00 0.00 N ATOM 15 CA ASP A 2 37.506 -1.874 -16.652 1.00 0.00 C ATOM 16 C ASP A 2 37.218 -1.159 -15.329 1.00 0.00 C ATOM 17 O ASP A 2 36.428 -0.238 -15.271 1.00 0.00 O ATOM 18 CB ASP A 2 39.009 -2.100 -16.833 1.00 0.00 C ATOM 19 CG ASP A 2 39.411 -3.423 -16.177 1.00 0.00 C ATOM 20 OD1 ASP A 2 38.693 -4.393 -16.356 1.00 0.00 O ATOM 21 OD2 ASP A 2 40.429 -3.443 -15.506 1.00 0.00 O ATOM 0 H ASP A 2 37.306 -0.009 -17.664 1.00 0.00 H new ATOM 0 HA ASP A 2 36.955 -2.814 -16.630 1.00 0.00 H new ATOM 0 HB2 ASP A 2 39.259 -2.117 -17.894 1.00 0.00 H new ATOM 0 HB3 ASP A 2 39.567 -1.277 -16.387 1.00 0.00 H new ATOM 26 N VAL A 3 37.851 -1.578 -14.269 1.00 0.00 N ATOM 27 CA VAL A 3 37.618 -0.926 -12.945 1.00 0.00 C ATOM 28 C VAL A 3 36.180 -1.170 -12.476 1.00 0.00 C ATOM 29 O VAL A 3 35.737 -0.616 -11.490 1.00 0.00 O ATOM 30 CB VAL A 3 37.854 0.566 -13.183 1.00 0.00 C ATOM 31 CG1 VAL A 3 38.056 1.271 -11.841 1.00 0.00 C ATOM 32 CG2 VAL A 3 39.103 0.757 -14.049 1.00 0.00 C ATOM 0 H VAL A 3 38.522 -2.346 -14.260 1.00 0.00 H new ATOM 0 HA VAL A 3 38.277 -1.325 -12.174 1.00 0.00 H new ATOM 0 HB VAL A 3 36.989 0.991 -13.693 1.00 0.00 H new ATOM 0 HG11 VAL A 3 38.224 2.335 -12.010 1.00 0.00 H new ATOM 0 HG12 VAL A 3 37.168 1.138 -11.223 1.00 0.00 H new ATOM 0 HG13 VAL A 3 38.920 0.844 -11.332 1.00 0.00 H new ATOM 0 HG21 VAL A 3 39.270 1.821 -14.218 1.00 0.00 H new ATOM 0 HG22 VAL A 3 39.967 0.331 -13.540 1.00 0.00 H new ATOM 0 HG23 VAL A 3 38.962 0.256 -15.007 1.00 0.00 H new ATOM 42 N LEU A 4 35.449 -1.994 -13.174 1.00 0.00 N ATOM 43 CA LEU A 4 34.041 -2.271 -12.766 1.00 0.00 C ATOM 44 C LEU A 4 34.002 -2.804 -11.331 1.00 0.00 C ATOM 45 O LEU A 4 33.067 -2.562 -10.594 1.00 0.00 O ATOM 46 CB LEU A 4 33.546 -3.334 -13.747 1.00 0.00 C ATOM 47 CG LEU A 4 34.396 -4.597 -13.603 1.00 0.00 C ATOM 48 CD1 LEU A 4 33.872 -5.436 -12.436 1.00 0.00 C ATOM 49 CD2 LEU A 4 34.316 -5.415 -14.893 1.00 0.00 C ATOM 0 H LEU A 4 35.764 -2.488 -14.009 1.00 0.00 H new ATOM 0 HA LEU A 4 33.420 -1.375 -12.789 1.00 0.00 H new ATOM 0 HB2 LEU A 4 32.498 -3.564 -13.552 1.00 0.00 H new ATOM 0 HB3 LEU A 4 33.605 -2.957 -14.768 1.00 0.00 H new ATOM 0 HG LEU A 4 35.432 -4.317 -13.413 1.00 0.00 H new ATOM 0 HD11 LEU A 4 34.478 -6.336 -12.334 1.00 0.00 H new ATOM 0 HD12 LEU A 4 33.928 -4.854 -11.516 1.00 0.00 H new ATOM 0 HD13 LEU A 4 32.836 -5.716 -12.626 1.00 0.00 H new ATOM 0 HD21 LEU A 4 34.922 -6.315 -14.791 1.00 0.00 H new ATOM 0 HD22 LEU A 4 33.280 -5.694 -15.083 1.00 0.00 H new ATOM 0 HD23 LEU A 4 34.690 -4.819 -15.726 1.00 0.00 H new ATOM 61 N ASP A 5 35.012 -3.526 -10.929 1.00 0.00 N ATOM 62 CA ASP A 5 35.032 -4.074 -9.542 1.00 0.00 C ATOM 63 C ASP A 5 35.028 -2.932 -8.523 1.00 0.00 C ATOM 64 O ASP A 5 34.474 -3.052 -7.448 1.00 0.00 O ATOM 65 CB ASP A 5 36.333 -4.871 -9.450 1.00 0.00 C ATOM 66 CG ASP A 5 36.018 -6.368 -9.475 1.00 0.00 C ATOM 67 OD1 ASP A 5 35.646 -6.892 -8.438 1.00 0.00 O ATOM 68 OD2 ASP A 5 36.155 -6.964 -10.530 1.00 0.00 O ATOM 0 H ASP A 5 35.824 -3.760 -11.500 1.00 0.00 H new ATOM 0 HA ASP A 5 34.160 -4.692 -9.329 1.00 0.00 H new ATOM 0 HB2 ASP A 5 36.989 -4.613 -10.281 1.00 0.00 H new ATOM 0 HB3 ASP A 5 36.864 -4.616 -8.533 1.00 0.00 H new ATOM 73 N ILE A 6 35.643 -1.827 -8.856 1.00 0.00 N ATOM 74 CA ILE A 6 35.683 -0.667 -7.915 1.00 0.00 C ATOM 75 C ILE A 6 35.857 -1.150 -6.472 1.00 0.00 C ATOM 76 O ILE A 6 35.415 -0.512 -5.537 1.00 0.00 O ATOM 77 CB ILE A 6 34.337 0.039 -8.092 1.00 0.00 C ATOM 78 CG1 ILE A 6 33.222 -0.815 -7.481 1.00 0.00 C ATOM 79 CG2 ILE A 6 34.060 0.243 -9.582 1.00 0.00 C ATOM 80 CD1 ILE A 6 31.946 0.020 -7.364 1.00 0.00 C ATOM 0 H ILE A 6 36.122 -1.677 -9.744 1.00 0.00 H new ATOM 0 HA ILE A 6 36.521 -0.001 -8.123 1.00 0.00 H new ATOM 0 HB ILE A 6 34.369 1.006 -7.590 1.00 0.00 H new ATOM 0 HG12 ILE A 6 33.040 -1.692 -8.102 1.00 0.00 H new ATOM 0 HG13 ILE A 6 33.524 -1.177 -6.498 1.00 0.00 H new ATOM 0 HG21 ILE A 6 33.101 0.746 -9.708 1.00 0.00 H new ATOM 0 HG22 ILE A 6 34.850 0.854 -10.019 1.00 0.00 H new ATOM 0 HG23 ILE A 6 34.031 -0.725 -10.082 1.00 0.00 H new ATOM 0 HD11 ILE A 6 31.152 -0.587 -6.929 1.00 0.00 H new ATOM 0 HD12 ILE A 6 32.133 0.883 -6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 6 31.642 0.360 -8.354 1.00 0.00 H new ATOM 92 N THR A 7 36.497 -2.271 -6.285 1.00 0.00 N ATOM 93 CA THR A 7 36.699 -2.793 -4.903 1.00 0.00 C ATOM 94 C THR A 7 35.358 -2.870 -4.167 1.00 0.00 C ATOM 95 O THR A 7 35.308 -2.921 -2.954 1.00 0.00 O ATOM 96 CB THR A 7 37.625 -1.781 -4.228 1.00 0.00 C ATOM 97 OG1 THR A 7 38.859 -1.730 -4.929 1.00 0.00 O ATOM 98 CG2 THR A 7 37.875 -2.201 -2.779 1.00 0.00 C ATOM 0 H THR A 7 36.889 -2.848 -7.029 1.00 0.00 H new ATOM 0 HA THR A 7 37.122 -3.797 -4.898 1.00 0.00 H new ATOM 0 HB THR A 7 37.158 -0.796 -4.242 1.00 0.00 H new ATOM 0 HG1 THR A 7 39.453 -1.080 -4.499 1.00 0.00 H new ATOM 0 HG21 THR A 7 38.535 -1.478 -2.299 1.00 0.00 H new ATOM 0 HG22 THR A 7 36.927 -2.238 -2.242 1.00 0.00 H new ATOM 0 HG23 THR A 7 38.341 -3.186 -2.761 1.00 0.00 H new ATOM 106 N ALA A 8 34.273 -2.879 -4.891 1.00 0.00 N ATOM 107 CA ALA A 8 32.937 -2.952 -4.231 1.00 0.00 C ATOM 108 C ALA A 8 32.854 -1.935 -3.090 1.00 0.00 C ATOM 109 O ALA A 8 33.759 -1.153 -2.876 1.00 0.00 O ATOM 110 CB ALA A 8 32.842 -4.378 -3.687 1.00 0.00 C ATOM 0 H ALA A 8 34.253 -2.839 -5.910 1.00 0.00 H new ATOM 0 HA ALA A 8 32.123 -2.723 -4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 8 31.884 -4.513 -3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 8 32.923 -5.088 -4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 8 33.651 -4.551 -2.977 1.00 0.00 H new ATOM 116 N ASP A 9 31.775 -1.938 -2.357 1.00 0.00 N ATOM 117 CA ASP A 9 31.634 -0.970 -1.232 1.00 0.00 C ATOM 118 C ASP A 9 31.778 -1.691 0.113 1.00 0.00 C ATOM 119 O ASP A 9 30.806 -1.915 0.807 1.00 0.00 O ATOM 120 CB ASP A 9 30.226 -0.393 -1.388 1.00 0.00 C ATOM 121 CG ASP A 9 29.190 -1.491 -1.135 1.00 0.00 C ATOM 122 OD1 ASP A 9 29.211 -2.475 -1.855 1.00 0.00 O ATOM 123 OD2 ASP A 9 28.394 -1.327 -0.225 1.00 0.00 O ATOM 0 H ASP A 9 30.984 -2.569 -2.488 1.00 0.00 H new ATOM 0 HA ASP A 9 32.399 -0.194 -1.254 1.00 0.00 H new ATOM 0 HB2 ASP A 9 30.079 0.428 -0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 9 30.099 0.017 -2.390 1.00 0.00 H new ATOM 128 N PRO A 10 32.997 -2.028 0.437 1.00 0.00 N ATOM 129 CA PRO A 10 33.281 -2.731 1.713 1.00 0.00 C ATOM 130 C PRO A 10 33.122 -1.773 2.897 1.00 0.00 C ATOM 131 O PRO A 10 33.266 -2.155 4.041 1.00 0.00 O ATOM 132 CB PRO A 10 34.733 -3.174 1.562 1.00 0.00 C ATOM 133 CG PRO A 10 35.327 -2.220 0.575 1.00 0.00 C ATOM 134 CD PRO A 10 34.215 -1.791 -0.346 1.00 0.00 C ATOM 0 HA PRO A 10 32.605 -3.564 1.904 1.00 0.00 H new ATOM 0 HB2 PRO A 10 35.259 -3.134 2.516 1.00 0.00 H new ATOM 0 HB3 PRO A 10 34.797 -4.202 1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 10 35.760 -1.359 1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 10 36.131 -2.696 0.014 1.00 0.00 H new ATOM 0 HD2 PRO A 10 34.311 -0.742 -0.627 1.00 0.00 H new ATOM 0 HD3 PRO A 10 34.215 -2.370 -1.269 1.00 0.00 H new ATOM 142 N THR A 11 32.827 -0.530 2.630 1.00 0.00 N ATOM 143 CA THR A 11 32.660 0.452 3.741 1.00 0.00 C ATOM 144 C THR A 11 31.174 0.728 3.983 1.00 0.00 C ATOM 145 O THR A 11 30.811 1.551 4.800 1.00 0.00 O ATOM 146 CB THR A 11 33.371 1.718 3.261 1.00 0.00 C ATOM 147 OG1 THR A 11 34.646 1.373 2.736 1.00 0.00 O ATOM 148 CG2 THR A 11 33.543 2.685 4.433 1.00 0.00 C ATOM 0 H THR A 11 32.694 -0.152 1.692 1.00 0.00 H new ATOM 0 HA THR A 11 33.072 0.086 4.682 1.00 0.00 H new ATOM 0 HB THR A 11 32.776 2.197 2.484 1.00 0.00 H new ATOM 0 HG1 THR A 11 35.102 2.183 2.426 1.00 0.00 H new ATOM 0 HG21 THR A 11 34.050 3.587 4.089 1.00 0.00 H new ATOM 0 HG22 THR A 11 32.564 2.949 4.833 1.00 0.00 H new ATOM 0 HG23 THR A 11 34.138 2.209 5.213 1.00 0.00 H new ATOM 156 N THR A 12 30.312 0.047 3.280 1.00 0.00 N ATOM 157 CA THR A 12 28.849 0.270 3.471 1.00 0.00 C ATOM 158 C THR A 12 28.071 -0.997 3.105 1.00 0.00 C ATOM 159 O THR A 12 26.919 -0.941 2.723 1.00 0.00 O ATOM 160 CB THR A 12 28.488 1.414 2.517 1.00 0.00 C ATOM 161 OG1 THR A 12 28.513 0.933 1.180 1.00 0.00 O ATOM 162 CG2 THR A 12 29.498 2.560 2.668 1.00 0.00 C ATOM 0 H THR A 12 30.556 -0.655 2.581 1.00 0.00 H new ATOM 0 HA THR A 12 28.602 0.511 4.505 1.00 0.00 H new ATOM 0 HB THR A 12 27.491 1.784 2.758 1.00 0.00 H new ATOM 0 HG1 THR A 12 28.815 0.001 1.173 1.00 0.00 H new ATOM 0 HG21 THR A 12 29.235 3.369 1.987 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.479 2.929 3.694 1.00 0.00 H new ATOM 0 HG23 THR A 12 30.498 2.197 2.431 1.00 0.00 H new ATOM 170 N ALA A 13 28.692 -2.139 3.219 1.00 0.00 N ATOM 171 CA ALA A 13 27.986 -3.408 2.877 1.00 0.00 C ATOM 172 C ALA A 13 26.748 -3.580 3.761 1.00 0.00 C ATOM 173 O ALA A 13 25.644 -3.692 3.269 1.00 0.00 O ATOM 174 CB ALA A 13 29.004 -4.514 3.158 1.00 0.00 C ATOM 0 H ALA A 13 29.656 -2.249 3.534 1.00 0.00 H new ATOM 0 HA ALA A 13 27.641 -3.424 1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 13 28.560 -5.483 2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 13 29.886 -4.364 2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 13 29.293 -4.485 4.209 1.00 0.00 H new ATOM 180 N PRO A 14 26.980 -3.593 5.046 1.00 0.00 N ATOM 181 CA PRO A 14 25.871 -3.753 6.019 1.00 0.00 C ATOM 182 C PRO A 14 25.045 -2.465 6.095 1.00 0.00 C ATOM 183 O PRO A 14 23.942 -2.453 6.603 1.00 0.00 O ATOM 184 CB PRO A 14 26.594 -4.014 7.344 1.00 0.00 C ATOM 185 CG PRO A 14 27.944 -3.392 7.174 1.00 0.00 C ATOM 186 CD PRO A 14 28.283 -3.463 5.706 1.00 0.00 C ATOM 0 HA PRO A 14 25.175 -4.549 5.754 1.00 0.00 H new ATOM 0 HB2 PRO A 14 26.057 -3.569 8.182 1.00 0.00 H new ATOM 0 HB3 PRO A 14 26.674 -5.082 7.547 1.00 0.00 H new ATOM 0 HG2 PRO A 14 27.938 -2.358 7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 14 28.689 -3.921 7.768 1.00 0.00 H new ATOM 0 HD2 PRO A 14 28.811 -2.569 5.375 1.00 0.00 H new ATOM 0 HD3 PRO A 14 28.928 -4.314 5.486 1.00 0.00 H new ATOM 194 N GLN A 15 25.572 -1.381 5.593 1.00 0.00 N ATOM 195 CA GLN A 15 24.816 -0.097 5.637 1.00 0.00 C ATOM 196 C GLN A 15 23.597 -0.169 4.713 1.00 0.00 C ATOM 197 O GLN A 15 22.492 0.154 5.101 1.00 0.00 O ATOM 198 CB GLN A 15 25.804 0.960 5.141 1.00 0.00 C ATOM 199 CG GLN A 15 25.745 2.184 6.058 1.00 0.00 C ATOM 200 CD GLN A 15 24.706 3.172 5.525 1.00 0.00 C ATOM 201 OE1 GLN A 15 24.481 3.252 4.334 1.00 0.00 O ATOM 202 NE2 GLN A 15 24.058 3.934 6.363 1.00 0.00 N ATOM 0 H GLN A 15 26.492 -1.329 5.155 1.00 0.00 H new ATOM 0 HA GLN A 15 24.443 0.130 6.636 1.00 0.00 H new ATOM 0 HB2 GLN A 15 26.814 0.551 5.127 1.00 0.00 H new ATOM 0 HB3 GLN A 15 25.563 1.247 4.118 1.00 0.00 H new ATOM 0 HG2 GLN A 15 25.486 1.880 7.072 1.00 0.00 H new ATOM 0 HG3 GLN A 15 26.724 2.661 6.108 1.00 0.00 H new ATOM 0 HE21 GLN A 15 24.246 3.867 7.363 1.00 0.00 H new ATOM 0 HE22 GLN A 15 23.363 4.596 6.018 1.00 0.00 H new ATOM 211 N THR A 16 23.790 -0.590 3.493 1.00 0.00 N ATOM 212 CA THR A 16 22.640 -0.681 2.549 1.00 0.00 C ATOM 213 C THR A 16 21.606 -1.680 3.077 1.00 0.00 C ATOM 214 O THR A 16 20.427 -1.569 2.804 1.00 0.00 O ATOM 215 CB THR A 16 23.244 -1.167 1.227 1.00 0.00 C ATOM 216 OG1 THR A 16 23.889 -0.080 0.578 1.00 0.00 O ATOM 217 CG2 THR A 16 22.136 -1.716 0.325 1.00 0.00 C ATOM 0 H THR A 16 24.692 -0.874 3.110 1.00 0.00 H new ATOM 0 HA THR A 16 22.125 0.272 2.428 1.00 0.00 H new ATOM 0 HB THR A 16 23.969 -1.956 1.427 1.00 0.00 H new ATOM 0 HG1 THR A 16 24.278 -0.388 -0.267 1.00 0.00 H new ATOM 0 HG21 THR A 16 22.569 -2.061 -0.614 1.00 0.00 H new ATOM 0 HG22 THR A 16 21.640 -2.549 0.824 1.00 0.00 H new ATOM 0 HG23 THR A 16 21.409 -0.930 0.122 1.00 0.00 H new ATOM 225 N GLU A 17 22.036 -2.654 3.834 1.00 0.00 N ATOM 226 CA GLU A 17 21.080 -3.651 4.377 1.00 0.00 C ATOM 227 C GLU A 17 20.094 -2.969 5.327 1.00 0.00 C ATOM 228 O GLU A 17 18.899 -3.176 5.252 1.00 0.00 O ATOM 229 CB GLU A 17 21.945 -4.661 5.133 1.00 0.00 C ATOM 230 CG GLU A 17 21.886 -6.015 4.424 1.00 0.00 C ATOM 231 CD GLU A 17 22.134 -5.820 2.927 1.00 0.00 C ATOM 232 OE1 GLU A 17 23.105 -5.164 2.589 1.00 0.00 O ATOM 233 OE2 GLU A 17 21.349 -6.331 2.145 1.00 0.00 O ATOM 0 H GLU A 17 23.011 -2.799 4.098 1.00 0.00 H new ATOM 0 HA GLU A 17 20.490 -4.128 3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 17 22.975 -4.309 5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 17 21.593 -4.761 6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.634 -6.689 4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 17 20.913 -6.479 4.585 1.00 0.00 H new ATOM 240 N ARG A 18 20.586 -2.153 6.218 1.00 0.00 N ATOM 241 CA ARG A 18 19.677 -1.453 7.170 1.00 0.00 C ATOM 242 C ARG A 18 18.807 -0.445 6.416 1.00 0.00 C ATOM 243 O ARG A 18 17.653 -0.241 6.737 1.00 0.00 O ATOM 244 CB ARG A 18 20.605 -0.736 8.151 1.00 0.00 C ATOM 245 CG ARG A 18 19.789 0.230 9.012 1.00 0.00 C ATOM 246 CD ARG A 18 20.694 0.854 10.077 1.00 0.00 C ATOM 247 NE ARG A 18 19.762 1.499 11.043 1.00 0.00 N ATOM 248 CZ ARG A 18 18.900 2.385 10.627 1.00 0.00 C ATOM 249 NH1 ARG A 18 19.273 3.315 9.790 1.00 0.00 N ATOM 250 NH2 ARG A 18 17.665 2.342 11.046 1.00 0.00 N ATOM 0 H ARG A 18 21.577 -1.940 6.328 1.00 0.00 H new ATOM 0 HA ARG A 18 19.001 -2.139 7.681 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.114 -1.463 8.784 1.00 0.00 H new ATOM 0 HB3 ARG A 18 21.377 -0.192 7.607 1.00 0.00 H new ATOM 0 HG2 ARG A 18 19.353 1.010 8.388 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.962 -0.299 9.486 1.00 0.00 H new ATOM 0 HD2 ARG A 18 21.308 0.098 10.566 1.00 0.00 H new ATOM 0 HD3 ARG A 18 21.375 1.583 9.638 1.00 0.00 H new ATOM 0 HE ARG A 18 19.798 1.248 12.031 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.238 3.348 9.462 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.599 4.008 9.464 1.00 0.00 H new ATOM 0 HH21 ARG A 18 17.373 1.615 11.699 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.991 3.035 10.720 1.00 0.00 H new ATOM 264 N MET A 19 19.353 0.184 5.411 1.00 0.00 N ATOM 265 CA MET A 19 18.558 1.175 4.632 1.00 0.00 C ATOM 266 C MET A 19 17.389 0.473 3.944 1.00 0.00 C ATOM 267 O MET A 19 16.250 0.880 4.057 1.00 0.00 O ATOM 268 CB MET A 19 19.533 1.731 3.590 1.00 0.00 C ATOM 269 CG MET A 19 19.089 3.126 3.137 1.00 0.00 C ATOM 270 SD MET A 19 20.465 3.949 2.297 1.00 0.00 S ATOM 271 CE MET A 19 19.584 5.465 1.849 1.00 0.00 C ATOM 0 H MET A 19 20.314 0.054 5.096 1.00 0.00 H new ATOM 0 HA MET A 19 18.140 1.962 5.260 1.00 0.00 H new ATOM 0 HB2 MET A 19 20.537 1.781 4.011 1.00 0.00 H new ATOM 0 HB3 MET A 19 19.580 1.060 2.732 1.00 0.00 H new ATOM 0 HG2 MET A 19 18.233 3.048 2.467 1.00 0.00 H new ATOM 0 HG3 MET A 19 18.768 3.715 3.996 1.00 0.00 H new ATOM 0 HE1 MET A 19 20.258 6.132 1.311 1.00 0.00 H new ATOM 0 HE2 MET A 19 18.734 5.217 1.213 1.00 0.00 H new ATOM 0 HE3 MET A 19 19.229 5.960 2.753 1.00 0.00 H new ATOM 281 N MET A 20 17.665 -0.585 3.235 1.00 0.00 N ATOM 282 CA MET A 20 16.570 -1.321 2.545 1.00 0.00 C ATOM 283 C MET A 20 15.531 -1.769 3.572 1.00 0.00 C ATOM 284 O MET A 20 14.341 -1.708 3.338 1.00 0.00 O ATOM 285 CB MET A 20 17.247 -2.530 1.899 1.00 0.00 C ATOM 286 CG MET A 20 17.975 -2.090 0.627 1.00 0.00 C ATOM 287 SD MET A 20 16.775 -1.432 -0.558 1.00 0.00 S ATOM 288 CE MET A 20 17.665 -1.897 -2.063 1.00 0.00 C ATOM 0 H MET A 20 18.600 -0.972 3.103 1.00 0.00 H new ATOM 0 HA MET A 20 16.053 -0.709 1.805 1.00 0.00 H new ATOM 0 HB2 MET A 20 17.953 -2.981 2.597 1.00 0.00 H new ATOM 0 HB3 MET A 20 16.504 -3.291 1.660 1.00 0.00 H new ATOM 0 HG2 MET A 20 18.720 -1.331 0.866 1.00 0.00 H new ATOM 0 HG3 MET A 20 18.508 -2.934 0.190 1.00 0.00 H new ATOM 0 HE1 MET A 20 17.094 -1.581 -2.936 1.00 0.00 H new ATOM 0 HE2 MET A 20 18.641 -1.412 -2.073 1.00 0.00 H new ATOM 0 HE3 MET A 20 17.797 -2.979 -2.088 1.00 0.00 H new ATOM 298 N ARG A 21 15.979 -2.215 4.713 1.00 0.00 N ATOM 299 CA ARG A 21 15.030 -2.663 5.763 1.00 0.00 C ATOM 300 C ARG A 21 14.070 -1.526 6.124 1.00 0.00 C ATOM 301 O ARG A 21 12.883 -1.730 6.286 1.00 0.00 O ATOM 302 CB ARG A 21 15.907 -3.027 6.962 1.00 0.00 C ATOM 303 CG ARG A 21 15.022 -3.491 8.120 1.00 0.00 C ATOM 304 CD ARG A 21 14.197 -4.703 7.679 1.00 0.00 C ATOM 305 NE ARG A 21 15.200 -5.709 7.235 1.00 0.00 N ATOM 306 CZ ARG A 21 14.915 -6.527 6.258 1.00 0.00 C ATOM 307 NH1 ARG A 21 13.675 -6.694 5.888 1.00 0.00 N ATOM 308 NH2 ARG A 21 15.870 -7.178 5.653 1.00 0.00 N ATOM 0 H ARG A 21 16.966 -2.288 4.961 1.00 0.00 H new ATOM 0 HA ARG A 21 14.419 -3.505 5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 21 16.608 -3.816 6.687 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.501 -2.165 7.267 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.638 -3.751 8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.361 -2.683 8.433 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.589 -5.086 8.499 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.514 -4.443 6.870 1.00 0.00 H new ATOM 0 HE ARG A 21 16.110 -5.759 7.694 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.928 -6.186 6.362 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.452 -7.333 5.125 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.839 -7.048 5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.648 -7.817 4.890 1.00 0.00 H new ATOM 322 N ILE A 22 14.576 -0.329 6.249 1.00 0.00 N ATOM 323 CA ILE A 22 13.693 0.821 6.597 1.00 0.00 C ATOM 324 C ILE A 22 12.768 1.150 5.422 1.00 0.00 C ATOM 325 O ILE A 22 11.585 1.368 5.592 1.00 0.00 O ATOM 326 CB ILE A 22 14.646 1.984 6.872 1.00 0.00 C ATOM 327 CG1 ILE A 22 15.516 1.652 8.086 1.00 0.00 C ATOM 328 CG2 ILE A 22 13.837 3.251 7.157 1.00 0.00 C ATOM 329 CD1 ILE A 22 14.621 1.308 9.278 1.00 0.00 C ATOM 0 H ILE A 22 15.562 -0.098 6.125 1.00 0.00 H new ATOM 0 HA ILE A 22 13.054 0.607 7.454 1.00 0.00 H new ATOM 0 HB ILE A 22 15.281 2.147 6.001 1.00 0.00 H new ATOM 0 HG12 ILE A 22 16.173 0.813 7.857 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.156 2.500 8.331 1.00 0.00 H new ATOM 0 HG21 ILE A 22 14.517 4.080 7.353 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.215 3.488 6.293 1.00 0.00 H new ATOM 0 HG23 ILE A 22 13.202 3.089 8.028 1.00 0.00 H new ATOM 0 HD11 ILE A 22 15.241 1.072 10.142 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.983 2.160 9.512 1.00 0.00 H new ATOM 0 HD13 ILE A 22 14.000 0.447 9.030 1.00 0.00 H new ATOM 341 N ASN A 23 13.299 1.187 4.230 1.00 0.00 N ATOM 342 CA ASN A 23 12.449 1.501 3.046 1.00 0.00 C ATOM 343 C ASN A 23 11.316 0.480 2.924 1.00 0.00 C ATOM 344 O ASN A 23 10.249 0.778 2.424 1.00 0.00 O ATOM 345 CB ASN A 23 13.391 1.403 1.845 1.00 0.00 C ATOM 346 CG ASN A 23 14.102 2.743 1.643 1.00 0.00 C ATOM 347 OD1 ASN A 23 14.208 3.532 2.560 1.00 0.00 O ATOM 348 ND2 ASN A 23 14.597 3.034 0.471 1.00 0.00 N ATOM 0 H ASN A 23 14.283 1.014 4.025 1.00 0.00 H new ATOM 0 HA ASN A 23 11.984 2.484 3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.123 0.612 2.007 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.829 1.139 0.949 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.073 3.924 0.325 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.508 2.371 -0.299 1.00 0.00 H new ATOM 355 N TRP A 24 11.538 -0.723 3.379 1.00 0.00 N ATOM 356 CA TRP A 24 10.472 -1.762 3.291 1.00 0.00 C ATOM 357 C TRP A 24 9.414 -1.525 4.371 1.00 0.00 C ATOM 358 O TRP A 24 8.228 -1.567 4.112 1.00 0.00 O ATOM 359 CB TRP A 24 11.192 -3.090 3.527 1.00 0.00 C ATOM 360 CG TRP A 24 10.371 -4.210 2.973 1.00 0.00 C ATOM 361 CD1 TRP A 24 9.230 -4.060 2.261 1.00 0.00 C ATOM 362 CD2 TRP A 24 10.606 -5.645 3.072 1.00 0.00 C ATOM 363 NE1 TRP A 24 8.750 -5.311 1.917 1.00 0.00 N ATOM 364 CE2 TRP A 24 9.564 -6.320 2.394 1.00 0.00 C ATOM 365 CE3 TRP A 24 11.613 -6.418 3.678 1.00 0.00 C ATOM 366 CZ2 TRP A 24 9.521 -7.713 2.320 1.00 0.00 C ATOM 367 CZ3 TRP A 24 11.573 -7.821 3.605 1.00 0.00 C ATOM 368 CH2 TRP A 24 10.529 -8.466 2.927 1.00 0.00 C ATOM 0 H TRP A 24 12.411 -1.031 3.808 1.00 0.00 H new ATOM 0 HA TRP A 24 9.956 -1.744 2.331 1.00 0.00 H new ATOM 0 HB2 TRP A 24 12.172 -3.074 3.050 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.359 -3.241 4.594 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.769 -3.118 2.003 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.899 -5.469 1.377 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.422 -5.931 4.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 8.714 -8.205 1.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 12.351 -8.406 4.074 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.504 -9.544 2.874 1.00 0.00 H new ATOM 379 N LYS A 25 9.834 -1.274 5.581 1.00 0.00 N ATOM 380 CA LYS A 25 8.852 -1.033 6.676 1.00 0.00 C ATOM 381 C LYS A 25 7.993 0.194 6.353 1.00 0.00 C ATOM 382 O LYS A 25 6.800 0.206 6.581 1.00 0.00 O ATOM 383 CB LYS A 25 9.701 -0.781 7.923 1.00 0.00 C ATOM 384 CG LYS A 25 8.833 -0.153 9.015 1.00 0.00 C ATOM 385 CD LYS A 25 8.996 1.368 8.986 1.00 0.00 C ATOM 386 CE LYS A 25 7.753 2.027 9.586 1.00 0.00 C ATOM 387 NZ LYS A 25 8.160 2.438 10.958 1.00 0.00 N ATOM 0 H LYS A 25 10.814 -1.225 5.858 1.00 0.00 H new ATOM 0 HA LYS A 25 8.170 -1.872 6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.130 -1.718 8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.534 -0.121 7.681 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.787 -0.420 8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.121 -0.542 9.992 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.883 1.660 9.549 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.142 1.709 7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.437 2.886 8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.913 1.333 9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.359 2.899 11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.449 1.599 11.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.957 3.104 10.899 1.00 0.00 H new ATOM 401 N LYS A 26 8.592 1.225 5.823 1.00 0.00 N ATOM 402 CA LYS A 26 7.810 2.449 5.485 1.00 0.00 C ATOM 403 C LYS A 26 6.862 2.163 4.318 1.00 0.00 C ATOM 404 O LYS A 26 5.659 2.288 4.437 1.00 0.00 O ATOM 405 CB LYS A 26 8.856 3.490 5.085 1.00 0.00 C ATOM 406 CG LYS A 26 8.158 4.801 4.719 1.00 0.00 C ATOM 407 CD LYS A 26 8.891 5.971 5.378 1.00 0.00 C ATOM 408 CE LYS A 26 8.077 6.478 6.570 1.00 0.00 C ATOM 409 NZ LYS A 26 7.439 7.736 6.093 1.00 0.00 N ATOM 0 H LYS A 26 9.588 1.273 5.609 1.00 0.00 H new ATOM 0 HA LYS A 26 7.195 2.790 6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.554 3.654 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.440 3.128 4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.146 4.929 3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.119 4.777 5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.880 5.654 5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.038 6.775 4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.328 5.747 6.876 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.715 6.662 7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.863 8.144 6.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.176 8.415 5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.832 7.529 5.274 1.00 0.00 H new ATOM 423 N TRP A 27 7.395 1.781 3.189 1.00 0.00 N ATOM 424 CA TRP A 27 6.528 1.488 2.014 1.00 0.00 C ATOM 425 C TRP A 27 5.290 0.700 2.452 1.00 0.00 C ATOM 426 O TRP A 27 4.183 0.986 2.040 1.00 0.00 O ATOM 427 CB TRP A 27 7.397 0.645 1.080 1.00 0.00 C ATOM 428 CG TRP A 27 7.207 1.107 -0.329 1.00 0.00 C ATOM 429 CD1 TRP A 27 8.176 1.639 -1.109 1.00 0.00 C ATOM 430 CD2 TRP A 27 5.994 1.088 -1.137 1.00 0.00 C ATOM 431 NE1 TRP A 27 7.635 1.948 -2.344 1.00 0.00 N ATOM 432 CE2 TRP A 27 6.294 1.627 -2.410 1.00 0.00 C ATOM 433 CE3 TRP A 27 4.677 0.661 -0.890 1.00 0.00 C ATOM 434 CZ2 TRP A 27 5.321 1.738 -3.405 1.00 0.00 C ATOM 435 CZ3 TRP A 27 3.696 0.770 -1.889 1.00 0.00 C ATOM 436 CH2 TRP A 27 4.017 1.308 -3.143 1.00 0.00 C ATOM 0 H TRP A 27 8.395 1.659 3.030 1.00 0.00 H new ATOM 0 HA TRP A 27 6.171 2.396 1.529 1.00 0.00 H new ATOM 0 HB2 TRP A 27 8.446 0.732 1.364 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.129 -0.408 1.168 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.203 1.797 -0.816 1.00 0.00 H new ATOM 0 HE1 TRP A 27 8.163 2.363 -3.112 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.419 0.247 0.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 5.574 2.153 -4.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.688 0.437 -1.690 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.257 1.390 -3.906 1.00 0.00 H new ATOM 447 N TRP A 28 5.468 -0.289 3.284 1.00 0.00 N ATOM 448 CA TRP A 28 4.298 -1.092 3.747 1.00 0.00 C ATOM 449 C TRP A 28 3.389 -0.235 4.631 1.00 0.00 C ATOM 450 O TRP A 28 2.180 -0.326 4.566 1.00 0.00 O ATOM 451 CB TRP A 28 4.895 -2.248 4.551 1.00 0.00 C ATOM 452 CG TRP A 28 4.436 -3.547 3.970 1.00 0.00 C ATOM 453 CD1 TRP A 28 3.956 -4.591 4.684 1.00 0.00 C ATOM 454 CD2 TRP A 28 4.406 -3.959 2.573 1.00 0.00 C ATOM 455 NE1 TRP A 28 3.633 -5.617 3.815 1.00 0.00 N ATOM 456 CE2 TRP A 28 3.892 -5.276 2.502 1.00 0.00 C ATOM 457 CE3 TRP A 28 4.771 -3.324 1.371 1.00 0.00 C ATOM 458 CZ2 TRP A 28 3.745 -5.939 1.283 1.00 0.00 C ATOM 459 CZ3 TRP A 28 4.624 -3.989 0.143 1.00 0.00 C ATOM 460 CH2 TRP A 28 4.113 -5.294 0.099 1.00 0.00 C ATOM 0 H TRP A 28 6.370 -0.576 3.663 1.00 0.00 H new ATOM 0 HA TRP A 28 3.690 -1.450 2.916 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.984 -2.194 4.533 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.589 -2.176 5.595 1.00 0.00 H new ATOM 0 HD1 TRP A 28 3.843 -4.619 5.758 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.250 -6.516 4.108 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.166 -2.319 1.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 3.350 -6.944 1.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.906 -3.492 -0.773 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.004 -5.800 -0.849 1.00 0.00 H new ATOM 471 N GLN A 29 3.961 0.601 5.455 1.00 0.00 N ATOM 472 CA GLN A 29 3.126 1.464 6.338 1.00 0.00 C ATOM 473 C GLN A 29 2.176 2.311 5.489 1.00 0.00 C ATOM 474 O GLN A 29 0.970 2.184 5.571 1.00 0.00 O ATOM 475 CB GLN A 29 4.121 2.354 7.083 1.00 0.00 C ATOM 476 CG GLN A 29 4.661 1.606 8.304 1.00 0.00 C ATOM 477 CD GLN A 29 4.784 2.574 9.482 1.00 0.00 C ATOM 478 OE1 GLN A 29 5.029 3.835 9.252 1.00 0.00 O flip ATOM 479 NE2 GLN A 29 4.655 2.179 10.624 1.00 0.00 N flip ATOM 0 H GLN A 29 4.969 0.723 5.555 1.00 0.00 H new ATOM 0 HA GLN A 29 2.511 0.884 7.026 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.942 2.633 6.422 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.635 3.278 7.395 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.995 0.783 8.564 1.00 0.00 H new ATOM 0 HG3 GLN A 29 5.633 1.169 8.076 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.463 1.193 10.804 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.738 2.833 11.402 1.00 0.00 H new ATOM 488 N VAL A 30 2.712 3.171 4.666 1.00 0.00 N ATOM 489 CA VAL A 30 1.839 4.020 3.807 1.00 0.00 C ATOM 490 C VAL A 30 0.937 3.130 2.948 1.00 0.00 C ATOM 491 O VAL A 30 -0.163 3.502 2.591 1.00 0.00 O ATOM 492 CB VAL A 30 2.802 4.818 2.928 1.00 0.00 C ATOM 493 CG1 VAL A 30 2.023 5.879 2.148 1.00 0.00 C ATOM 494 CG2 VAL A 30 3.848 5.502 3.810 1.00 0.00 C ATOM 0 H VAL A 30 3.714 3.322 4.552 1.00 0.00 H new ATOM 0 HA VAL A 30 1.188 4.673 4.388 1.00 0.00 H new ATOM 0 HB VAL A 30 3.298 4.144 2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.710 6.448 1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.276 5.394 1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.527 6.553 2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.535 6.071 3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.351 6.175 4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.404 4.748 4.366 1.00 0.00 H new ATOM 504 N PHE A 31 1.397 1.954 2.619 1.00 0.00 N ATOM 505 CA PHE A 31 0.569 1.033 1.789 1.00 0.00 C ATOM 506 C PHE A 31 -0.663 0.585 2.579 1.00 0.00 C ATOM 507 O PHE A 31 -1.781 0.692 2.116 1.00 0.00 O ATOM 508 CB PHE A 31 1.484 -0.163 1.494 1.00 0.00 C ATOM 509 CG PHE A 31 0.725 -1.190 0.688 1.00 0.00 C ATOM 510 CD1 PHE A 31 -0.282 -0.783 -0.195 1.00 0.00 C ATOM 511 CD2 PHE A 31 1.027 -2.550 0.827 1.00 0.00 C ATOM 512 CE1 PHE A 31 -0.987 -1.736 -0.940 1.00 0.00 C ATOM 513 CE2 PHE A 31 0.322 -3.503 0.082 1.00 0.00 C ATOM 514 CZ PHE A 31 -0.685 -3.096 -0.801 1.00 0.00 C ATOM 0 H PHE A 31 2.311 1.591 2.889 1.00 0.00 H new ATOM 0 HA PHE A 31 0.209 1.505 0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.366 0.167 0.945 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.836 -0.604 2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.515 0.266 -0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.804 -2.864 1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.764 -1.422 -1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.555 -4.552 0.189 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.229 -3.831 -1.375 1.00 0.00 H new ATOM 524 N TYR A 32 -0.469 0.087 3.770 1.00 0.00 N ATOM 525 CA TYR A 32 -1.631 -0.364 4.587 1.00 0.00 C ATOM 526 C TYR A 32 -2.637 0.779 4.744 1.00 0.00 C ATOM 527 O TYR A 32 -3.831 0.589 4.619 1.00 0.00 O ATOM 528 CB TYR A 32 -1.038 -0.747 5.943 1.00 0.00 C ATOM 529 CG TYR A 32 -0.916 -2.249 6.034 1.00 0.00 C ATOM 530 CD1 TYR A 32 -1.974 -3.064 5.611 1.00 0.00 C ATOM 531 CD2 TYR A 32 0.254 -2.828 6.540 1.00 0.00 C ATOM 532 CE1 TYR A 32 -1.861 -4.457 5.695 1.00 0.00 C ATOM 533 CE2 TYR A 32 0.366 -4.221 6.624 1.00 0.00 C ATOM 534 CZ TYR A 32 -0.691 -5.035 6.201 1.00 0.00 C ATOM 535 OH TYR A 32 -0.581 -6.408 6.284 1.00 0.00 O ATOM 0 H TYR A 32 0.443 -0.027 4.212 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.163 -1.197 4.127 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.059 -0.284 6.067 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.672 -0.374 6.747 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.877 -2.618 5.220 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.070 -2.200 6.866 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.677 -5.086 5.369 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.268 -4.668 7.015 1.00 0.00 H new ATOM 0 HH TYR A 32 0.294 -6.644 6.656 1.00 0.00 H new ATOM 545 N THR A 33 -2.163 1.964 5.014 1.00 0.00 N ATOM 546 CA THR A 33 -3.094 3.118 5.176 1.00 0.00 C ATOM 547 C THR A 33 -3.751 3.456 3.836 1.00 0.00 C ATOM 548 O THR A 33 -4.930 3.744 3.766 1.00 0.00 O ATOM 549 CB THR A 33 -2.213 4.275 5.649 1.00 0.00 C ATOM 550 OG1 THR A 33 -1.356 3.821 6.688 1.00 0.00 O ATOM 551 CG2 THR A 33 -3.094 5.410 6.172 1.00 0.00 C ATOM 0 H THR A 33 -1.174 2.184 5.129 1.00 0.00 H new ATOM 0 HA THR A 33 -3.898 2.905 5.880 1.00 0.00 H new ATOM 0 HB THR A 33 -1.613 4.639 4.815 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.789 4.561 6.991 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.464 6.234 6.509 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.751 5.758 5.375 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.696 5.049 7.006 1.00 0.00 H new ATOM 559 N VAL A 34 -2.999 3.422 2.770 1.00 0.00 N ATOM 560 CA VAL A 34 -3.582 3.740 1.436 1.00 0.00 C ATOM 561 C VAL A 34 -4.638 2.698 1.060 1.00 0.00 C ATOM 562 O VAL A 34 -5.723 3.029 0.625 1.00 0.00 O ATOM 563 CB VAL A 34 -2.402 3.683 0.466 1.00 0.00 C ATOM 564 CG1 VAL A 34 -2.919 3.768 -0.970 1.00 0.00 C ATOM 565 CG2 VAL A 34 -1.461 4.859 0.739 1.00 0.00 C ATOM 0 H VAL A 34 -2.006 3.188 2.765 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.076 4.712 1.420 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.863 2.746 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.078 3.727 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.590 2.932 -1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.458 4.706 -1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.619 4.819 0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.000 5.796 0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.093 4.800 1.763 1.00 0.00 H new ATOM 575 N VAL A 35 -4.332 1.440 1.228 1.00 0.00 N ATOM 576 CA VAL A 35 -5.323 0.382 0.882 1.00 0.00 C ATOM 577 C VAL A 35 -6.604 0.581 1.694 1.00 0.00 C ATOM 578 O VAL A 35 -7.699 0.452 1.185 1.00 0.00 O ATOM 579 CB VAL A 35 -4.647 -0.937 1.256 1.00 0.00 C ATOM 580 CG1 VAL A 35 -5.450 -2.104 0.680 1.00 0.00 C ATOM 581 CG2 VAL A 35 -3.230 -0.966 0.678 1.00 0.00 C ATOM 0 H VAL A 35 -3.441 1.100 1.589 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.605 0.406 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.602 -1.025 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.968 -3.044 0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.461 -2.086 1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.495 -2.014 -0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.748 -1.906 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.278 -0.877 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.654 -0.135 1.085 1.00 0.00 H new ATOM 591 N ASP A 36 -6.476 0.900 2.954 1.00 0.00 N ATOM 592 CA ASP A 36 -7.689 1.113 3.792 1.00 0.00 C ATOM 593 C ASP A 36 -8.546 2.230 3.193 1.00 0.00 C ATOM 594 O ASP A 36 -9.739 2.083 3.013 1.00 0.00 O ATOM 595 CB ASP A 36 -7.156 1.522 5.166 1.00 0.00 C ATOM 596 CG ASP A 36 -6.827 0.269 5.980 1.00 0.00 C ATOM 597 OD1 ASP A 36 -7.718 -0.231 6.647 1.00 0.00 O ATOM 598 OD2 ASP A 36 -5.690 -0.169 5.923 1.00 0.00 O ATOM 0 H ASP A 36 -5.586 1.022 3.437 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.316 0.224 3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.265 2.139 5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.897 2.125 5.691 1.00 0.00 H new ATOM 603 N TYR A 37 -7.945 3.344 2.875 1.00 0.00 N ATOM 604 CA TYR A 37 -8.725 4.466 2.281 1.00 0.00 C ATOM 605 C TYR A 37 -9.476 3.977 1.041 1.00 0.00 C ATOM 606 O TYR A 37 -10.622 4.318 0.821 1.00 0.00 O ATOM 607 CB TYR A 37 -7.681 5.517 1.899 1.00 0.00 C ATOM 608 CG TYR A 37 -8.341 6.615 1.101 1.00 0.00 C ATOM 609 CD1 TYR A 37 -9.375 7.369 1.668 1.00 0.00 C ATOM 610 CD2 TYR A 37 -7.918 6.880 -0.208 1.00 0.00 C ATOM 611 CE1 TYR A 37 -9.986 8.388 0.928 1.00 0.00 C ATOM 612 CE2 TYR A 37 -8.529 7.899 -0.948 1.00 0.00 C ATOM 613 CZ TYR A 37 -9.563 8.653 -0.380 1.00 0.00 C ATOM 614 OH TYR A 37 -10.165 9.658 -1.110 1.00 0.00 O ATOM 0 H TYR A 37 -6.949 3.525 3.001 1.00 0.00 H new ATOM 0 HA TYR A 37 -9.469 4.867 2.969 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.221 5.931 2.796 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.884 5.057 1.315 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.702 7.164 2.677 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.121 6.298 -0.646 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -10.784 8.970 1.366 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.203 8.104 -1.957 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.752 9.710 -1.997 1.00 0.00 H new ATOM 624 N VAL A 38 -8.840 3.175 0.230 1.00 0.00 N ATOM 625 CA VAL A 38 -9.521 2.661 -0.992 1.00 0.00 C ATOM 626 C VAL A 38 -10.698 1.768 -0.596 1.00 0.00 C ATOM 627 O VAL A 38 -11.801 1.931 -1.077 1.00 0.00 O ATOM 628 CB VAL A 38 -8.455 1.851 -1.730 1.00 0.00 C ATOM 629 CG1 VAL A 38 -9.060 1.248 -2.999 1.00 0.00 C ATOM 630 CG2 VAL A 38 -7.290 2.769 -2.109 1.00 0.00 C ATOM 0 H VAL A 38 -7.881 2.854 0.361 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.922 3.462 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.094 1.051 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.300 0.670 -3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.891 0.595 -2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.421 2.048 -3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.529 2.193 -2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.652 3.568 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.858 3.201 -1.206 1.00 0.00 H new ATOM 640 N ASN A 39 -10.475 0.829 0.284 1.00 0.00 N ATOM 641 CA ASN A 39 -11.589 -0.064 0.712 1.00 0.00 C ATOM 642 C ASN A 39 -12.765 0.780 1.208 1.00 0.00 C ATOM 643 O ASN A 39 -13.909 0.380 1.127 1.00 0.00 O ATOM 644 CB ASN A 39 -11.010 -0.903 1.851 1.00 0.00 C ATOM 645 CG ASN A 39 -11.673 -2.282 1.858 1.00 0.00 C ATOM 646 OD1 ASN A 39 -11.021 -3.282 2.085 1.00 0.00 O ATOM 647 ND2 ASN A 39 -12.952 -2.378 1.616 1.00 0.00 N ATOM 0 H ASN A 39 -9.573 0.643 0.723 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.960 -0.689 -0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.932 -1.007 1.729 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.176 -0.403 2.805 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.404 -3.292 1.617 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.499 -1.539 1.425 1.00 0.00 H new ATOM 654 N GLN A 40 -12.488 1.950 1.718 1.00 0.00 N ATOM 655 CA GLN A 40 -13.583 2.827 2.217 1.00 0.00 C ATOM 656 C GLN A 40 -14.375 3.396 1.036 1.00 0.00 C ATOM 657 O GLN A 40 -15.569 3.196 0.923 1.00 0.00 O ATOM 658 CB GLN A 40 -12.868 3.948 2.978 1.00 0.00 C ATOM 659 CG GLN A 40 -13.826 4.625 3.966 1.00 0.00 C ATOM 660 CD GLN A 40 -15.207 4.797 3.325 1.00 0.00 C ATOM 661 OE1 GLN A 40 -15.336 5.558 2.273 1.00 0.00 O flip ATOM 662 NE2 GLN A 40 -16.178 4.232 3.788 1.00 0.00 N flip ATOM 0 H GLN A 40 -11.548 2.336 1.810 1.00 0.00 H new ATOM 0 HA GLN A 40 -14.293 2.294 2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.011 3.541 3.515 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.483 4.685 2.273 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.909 4.026 4.873 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.430 5.597 4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.078 3.637 4.610 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.093 4.353 3.354 1.00 0.00 H new ATOM 671 N ILE A 41 -13.721 4.100 0.152 1.00 0.00 N ATOM 672 CA ILE A 41 -14.441 4.674 -1.021 1.00 0.00 C ATOM 673 C ILE A 41 -15.031 3.546 -1.869 1.00 0.00 C ATOM 674 O ILE A 41 -15.997 3.729 -2.583 1.00 0.00 O ATOM 675 CB ILE A 41 -13.375 5.437 -1.807 1.00 0.00 C ATOM 676 CG1 ILE A 41 -12.783 6.539 -0.925 1.00 0.00 C ATOM 677 CG2 ILE A 41 -14.010 6.066 -3.049 1.00 0.00 C ATOM 678 CD1 ILE A 41 -11.721 7.308 -1.713 1.00 0.00 C ATOM 0 H ILE A 41 -12.722 4.302 0.191 1.00 0.00 H new ATOM 0 HA ILE A 41 -15.267 5.322 -0.728 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.585 4.749 -2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.570 7.218 -0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.342 6.104 -0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.250 6.610 -3.610 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.433 5.283 -3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.799 6.754 -2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.299 8.093 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.930 6.624 -2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.176 7.756 -2.596 1.00 0.00 H new ATOM 690 N ILE A 42 -14.456 2.378 -1.788 1.00 0.00 N ATOM 691 CA ILE A 42 -14.977 1.228 -2.580 1.00 0.00 C ATOM 692 C ILE A 42 -16.343 0.798 -2.038 1.00 0.00 C ATOM 693 O ILE A 42 -17.302 0.673 -2.773 1.00 0.00 O ATOM 694 CB ILE A 42 -13.937 0.123 -2.383 1.00 0.00 C ATOM 695 CG1 ILE A 42 -12.734 0.392 -3.299 1.00 0.00 C ATOM 696 CG2 ILE A 42 -14.555 -1.240 -2.717 1.00 0.00 C ATOM 697 CD1 ILE A 42 -13.056 -0.054 -4.724 1.00 0.00 C ATOM 0 H ILE A 42 -13.645 2.170 -1.205 1.00 0.00 H new ATOM 0 HA ILE A 42 -15.119 1.468 -3.634 1.00 0.00 H new ATOM 0 HB ILE A 42 -13.607 0.114 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -12.488 1.454 -3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.858 -0.142 -2.930 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -13.809 -2.022 -2.575 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -15.405 -1.425 -2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -14.891 -1.243 -3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.198 0.140 -5.368 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.280 -1.121 -4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -13.919 0.500 -5.092 1.00 0.00 H new ATOM 709 N GLN A 43 -16.438 0.574 -0.756 1.00 0.00 N ATOM 710 CA GLN A 43 -17.743 0.157 -0.168 1.00 0.00 C ATOM 711 C GLN A 43 -18.787 1.257 -0.379 1.00 0.00 C ATOM 712 O GLN A 43 -19.952 0.988 -0.593 1.00 0.00 O ATOM 713 CB GLN A 43 -17.463 -0.038 1.322 1.00 0.00 C ATOM 714 CG GLN A 43 -18.282 -1.220 1.845 1.00 0.00 C ATOM 715 CD GLN A 43 -18.015 -1.405 3.340 1.00 0.00 C ATOM 716 OE1 GLN A 43 -17.017 -0.938 3.853 1.00 0.00 O ATOM 717 NE2 GLN A 43 -18.871 -2.071 4.066 1.00 0.00 N ATOM 0 H GLN A 43 -15.670 0.661 -0.091 1.00 0.00 H new ATOM 0 HA GLN A 43 -18.135 -0.750 -0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -16.400 -0.219 1.482 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.719 0.867 1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -19.344 -1.044 1.674 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -18.017 -2.128 1.303 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -19.709 -2.463 3.636 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -18.702 -2.199 5.064 1.00 0.00 H new ATOM 726 N LEU A 44 -18.376 2.494 -0.323 1.00 0.00 N ATOM 727 CA LEU A 44 -19.342 3.612 -0.523 1.00 0.00 C ATOM 728 C LEU A 44 -19.783 3.672 -1.988 1.00 0.00 C ATOM 729 O LEU A 44 -20.915 3.988 -2.294 1.00 0.00 O ATOM 730 CB LEU A 44 -18.571 4.876 -0.142 1.00 0.00 C ATOM 731 CG LEU A 44 -19.045 5.373 1.224 1.00 0.00 C ATOM 732 CD1 LEU A 44 -18.391 6.720 1.533 1.00 0.00 C ATOM 733 CD2 LEU A 44 -20.567 5.538 1.205 1.00 0.00 C ATOM 0 H LEU A 44 -17.413 2.779 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 44 -20.245 3.491 0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.502 4.667 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -18.725 5.649 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 44 -18.766 4.650 1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.729 7.074 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.307 6.604 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.670 7.444 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -20.907 5.892 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -20.845 6.261 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -21.034 4.578 0.985 1.00 0.00 H new ATOM 745 N MET A 45 -18.895 3.370 -2.896 1.00 0.00 N ATOM 746 CA MET A 45 -19.262 3.409 -4.340 1.00 0.00 C ATOM 747 C MET A 45 -20.395 2.420 -4.625 1.00 0.00 C ATOM 748 O MET A 45 -21.422 2.776 -5.167 1.00 0.00 O ATOM 749 CB MET A 45 -17.991 2.998 -5.083 1.00 0.00 C ATOM 750 CG MET A 45 -17.840 3.847 -6.347 1.00 0.00 C ATOM 751 SD MET A 45 -17.716 5.594 -5.890 1.00 0.00 S ATOM 752 CE MET A 45 -16.864 6.159 -7.383 1.00 0.00 C ATOM 0 H MET A 45 -17.932 3.098 -2.700 1.00 0.00 H new ATOM 0 HA MET A 45 -19.615 4.393 -4.650 1.00 0.00 H new ATOM 0 HB2 MET A 45 -17.122 3.129 -4.438 1.00 0.00 H new ATOM 0 HB3 MET A 45 -18.036 1.941 -5.346 1.00 0.00 H new ATOM 0 HG2 MET A 45 -16.952 3.541 -6.900 1.00 0.00 H new ATOM 0 HG3 MET A 45 -18.694 3.692 -7.006 1.00 0.00 H new ATOM 0 HE1 MET A 45 -16.683 7.232 -7.315 1.00 0.00 H new ATOM 0 HE2 MET A 45 -15.913 5.636 -7.479 1.00 0.00 H new ATOM 0 HE3 MET A 45 -17.483 5.950 -8.256 1.00 0.00 H new ATOM 762 N SER A 46 -20.216 1.179 -4.263 1.00 0.00 N ATOM 763 CA SER A 46 -21.284 0.168 -4.514 1.00 0.00 C ATOM 764 C SER A 46 -22.649 0.730 -4.106 1.00 0.00 C ATOM 765 O SER A 46 -23.647 0.498 -4.760 1.00 0.00 O ATOM 766 CB SER A 46 -20.912 -1.026 -3.636 1.00 0.00 C ATOM 767 OG SER A 46 -19.512 -1.257 -3.726 1.00 0.00 O ATOM 0 H SER A 46 -19.378 0.821 -3.805 1.00 0.00 H new ATOM 0 HA SER A 46 -21.355 -0.107 -5.566 1.00 0.00 H new ATOM 0 HB2 SER A 46 -21.195 -0.833 -2.601 1.00 0.00 H new ATOM 0 HB3 SER A 46 -21.460 -1.912 -3.956 1.00 0.00 H new ATOM 0 HG SER A 46 -19.270 -2.021 -3.163 1.00 0.00 H new ATOM 773 N LYS A 47 -22.700 1.467 -3.031 1.00 0.00 N ATOM 774 CA LYS A 47 -24.000 2.044 -2.583 1.00 0.00 C ATOM 775 C LYS A 47 -24.283 3.347 -3.335 1.00 0.00 C ATOM 776 O LYS A 47 -24.666 4.341 -2.752 1.00 0.00 O ATOM 777 CB LYS A 47 -23.824 2.319 -1.085 1.00 0.00 C ATOM 778 CG LYS A 47 -23.250 1.081 -0.384 1.00 0.00 C ATOM 779 CD LYS A 47 -22.274 1.524 0.708 1.00 0.00 C ATOM 780 CE LYS A 47 -23.058 2.072 1.903 1.00 0.00 C ATOM 781 NZ LYS A 47 -22.651 1.218 3.053 1.00 0.00 N ATOM 0 H LYS A 47 -21.898 1.695 -2.443 1.00 0.00 H new ATOM 0 HA LYS A 47 -24.836 1.372 -2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -23.158 3.170 -0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -24.783 2.585 -0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -24.055 0.489 0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -22.740 0.444 -1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -21.655 0.683 1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -21.600 2.288 0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -22.819 3.120 2.085 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -24.133 2.015 1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -23.147 1.532 3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -22.897 0.227 2.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.624 1.297 3.198 1.00 0.00 H new ATOM 795 N ARG A 48 -24.093 3.350 -4.627 1.00 0.00 N ATOM 796 CA ARG A 48 -24.349 4.589 -5.416 1.00 0.00 C ATOM 797 C ARG A 48 -25.796 5.053 -5.225 1.00 0.00 C ATOM 798 O ARG A 48 -26.424 4.766 -4.226 1.00 0.00 O ATOM 799 CB ARG A 48 -24.096 4.194 -6.872 1.00 0.00 C ATOM 800 CG ARG A 48 -25.149 3.178 -7.324 1.00 0.00 C ATOM 801 CD ARG A 48 -24.611 1.760 -7.123 1.00 0.00 C ATOM 802 NE ARG A 48 -25.179 0.970 -8.250 1.00 0.00 N ATOM 803 CZ ARG A 48 -24.416 0.613 -9.247 1.00 0.00 C ATOM 804 NH1 ARG A 48 -23.527 1.444 -9.718 1.00 0.00 N ATOM 805 NH2 ARG A 48 -24.541 -0.575 -9.772 1.00 0.00 N ATOM 0 H ARG A 48 -23.772 2.548 -5.170 1.00 0.00 H new ATOM 0 HA ARG A 48 -23.710 5.415 -5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -24.132 5.077 -7.510 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -23.098 3.768 -6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -26.068 3.314 -6.754 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -25.398 3.339 -8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -23.521 1.745 -7.140 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -24.920 1.353 -6.160 1.00 0.00 H new ATOM 0 HE ARG A 48 -26.165 0.708 -8.243 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -23.428 2.372 -9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -22.931 1.165 -10.497 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -25.235 -1.225 -9.403 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -23.945 -0.854 -10.551 1.00 0.00 H new ATOM 819 N SER A 49 -26.330 5.768 -6.178 1.00 0.00 N ATOM 820 CA SER A 49 -27.736 6.249 -6.051 1.00 0.00 C ATOM 821 C SER A 49 -28.707 5.185 -6.569 1.00 0.00 C ATOM 822 O SER A 49 -29.702 5.491 -7.196 1.00 0.00 O ATOM 823 CB SER A 49 -27.804 7.505 -6.919 1.00 0.00 C ATOM 824 OG SER A 49 -26.563 8.194 -6.845 1.00 0.00 O ATOM 0 H SER A 49 -25.854 6.040 -7.038 1.00 0.00 H new ATOM 0 HA SER A 49 -28.011 6.453 -5.016 1.00 0.00 H new ATOM 0 HB2 SER A 49 -28.023 7.236 -7.952 1.00 0.00 H new ATOM 0 HB3 SER A 49 -28.613 8.152 -6.580 1.00 0.00 H new ATOM 0 HG SER A 49 -26.602 8.999 -7.402 1.00 0.00 H new ATOM 830 N ARG A 50 -28.427 3.937 -6.311 1.00 0.00 N ATOM 831 CA ARG A 50 -29.335 2.854 -6.788 1.00 0.00 C ATOM 832 C ARG A 50 -29.438 1.750 -5.732 1.00 0.00 C ATOM 833 O ARG A 50 -30.485 1.172 -5.526 1.00 0.00 O ATOM 834 CB ARG A 50 -28.680 2.320 -8.062 1.00 0.00 C ATOM 835 CG ARG A 50 -28.407 3.480 -9.022 1.00 0.00 C ATOM 836 CD ARG A 50 -29.735 4.087 -9.480 1.00 0.00 C ATOM 837 NE ARG A 50 -29.386 5.450 -9.966 1.00 0.00 N ATOM 838 CZ ARG A 50 -29.520 5.747 -11.230 1.00 0.00 C ATOM 839 NH1 ARG A 50 -28.643 5.320 -12.097 1.00 0.00 N ATOM 840 NH2 ARG A 50 -30.531 6.470 -11.628 1.00 0.00 N ATOM 0 H ARG A 50 -27.609 3.620 -5.791 1.00 0.00 H new ATOM 0 HA ARG A 50 -30.348 3.213 -6.972 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -27.748 1.809 -7.818 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -29.331 1.586 -8.538 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -27.799 4.239 -8.529 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -27.840 3.127 -9.883 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -30.190 3.490 -10.270 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -30.452 4.131 -8.661 1.00 0.00 H new ATOM 0 HE ARG A 50 -29.042 6.152 -9.311 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -27.853 4.754 -11.787 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -28.748 5.552 -13.085 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -31.217 6.804 -10.951 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -30.635 6.702 -12.616 1.00 0.00 H new ATOM 854 N SER A 51 -28.360 1.452 -5.059 1.00 0.00 N ATOM 855 CA SER A 51 -28.409 0.387 -4.018 1.00 0.00 C ATOM 856 C SER A 51 -29.683 0.534 -3.181 1.00 0.00 C ATOM 857 O SER A 51 -30.193 -0.422 -2.630 1.00 0.00 O ATOM 858 CB SER A 51 -27.170 0.618 -3.155 1.00 0.00 C ATOM 859 OG SER A 51 -26.997 2.013 -2.945 1.00 0.00 O ATOM 0 H SER A 51 -27.451 1.898 -5.184 1.00 0.00 H new ATOM 0 HA SER A 51 -28.422 -0.615 -4.448 1.00 0.00 H new ATOM 0 HB2 SER A 51 -27.278 0.105 -2.199 1.00 0.00 H new ATOM 0 HB3 SER A 51 -26.290 0.200 -3.643 1.00 0.00 H new ATOM 0 HG SER A 51 -26.624 2.166 -2.052 1.00 0.00 H new ATOM 865 N LEU A 52 -30.201 1.729 -3.085 1.00 0.00 N ATOM 866 CA LEU A 52 -31.440 1.944 -2.287 1.00 0.00 C ATOM 867 C LEU A 52 -32.675 1.545 -3.099 1.00 0.00 C ATOM 868 O LEU A 52 -33.698 1.186 -2.550 1.00 0.00 O ATOM 869 CB LEU A 52 -31.460 3.441 -1.980 1.00 0.00 C ATOM 870 CG LEU A 52 -31.769 4.221 -3.259 1.00 0.00 C ATOM 871 CD1 LEU A 52 -33.284 4.291 -3.461 1.00 0.00 C ATOM 872 CD2 LEU A 52 -31.206 5.639 -3.139 1.00 0.00 C ATOM 0 H LEU A 52 -29.818 2.566 -3.526 1.00 0.00 H new ATOM 0 HA LEU A 52 -31.453 1.341 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -32.211 3.657 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -30.497 3.753 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 52 -31.312 3.718 -4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -33.504 4.847 -4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -33.687 3.282 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -33.742 4.794 -2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -31.426 6.196 -4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -31.664 6.141 -2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -30.127 5.591 -2.994 1.00 0.00 H new ATOM 884 N ASN A 53 -32.593 1.595 -4.402 1.00 0.00 N ATOM 885 CA ASN A 53 -33.775 1.204 -5.227 1.00 0.00 C ATOM 886 C ASN A 53 -33.840 -0.320 -5.318 1.00 0.00 C ATOM 887 O ASN A 53 -34.902 -0.910 -5.311 1.00 0.00 O ATOM 888 CB ASN A 53 -33.553 1.831 -6.620 1.00 0.00 C ATOM 889 CG ASN A 53 -32.472 1.055 -7.376 1.00 0.00 C ATOM 890 OD1 ASN A 53 -31.395 1.564 -7.611 1.00 0.00 O ATOM 891 ND2 ASN A 53 -32.720 -0.159 -7.788 1.00 0.00 N ATOM 0 H ASN A 53 -31.768 1.886 -4.927 1.00 0.00 H new ATOM 0 HA ASN A 53 -34.714 1.551 -4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -34.484 1.819 -7.186 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -33.257 2.875 -6.515 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -32.010 -0.677 -8.306 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -33.624 -0.589 -7.592 1.00 0.00 H new ATOM 898 N SER A 54 -32.706 -0.963 -5.388 1.00 0.00 N ATOM 899 CA SER A 54 -32.698 -2.449 -5.462 1.00 0.00 C ATOM 900 C SER A 54 -33.027 -3.029 -4.085 1.00 0.00 C ATOM 901 O SER A 54 -33.709 -4.027 -3.965 1.00 0.00 O ATOM 902 CB SER A 54 -31.275 -2.820 -5.878 1.00 0.00 C ATOM 903 OG SER A 54 -31.219 -4.210 -6.169 1.00 0.00 O ATOM 0 H SER A 54 -31.786 -0.522 -5.397 1.00 0.00 H new ATOM 0 HA SER A 54 -33.435 -2.840 -6.164 1.00 0.00 H new ATOM 0 HB2 SER A 54 -30.977 -2.241 -6.752 1.00 0.00 H new ATOM 0 HB3 SER A 54 -30.575 -2.575 -5.079 1.00 0.00 H new ATOM 0 HG SER A 54 -30.308 -4.452 -6.438 1.00 0.00 H new ATOM 909 N ALA A 55 -32.551 -2.402 -3.042 1.00 0.00 N ATOM 910 CA ALA A 55 -32.842 -2.909 -1.672 1.00 0.00 C ATOM 911 C ALA A 55 -34.304 -2.631 -1.314 1.00 0.00 C ATOM 912 O ALA A 55 -34.945 -3.406 -0.633 1.00 0.00 O ATOM 913 CB ALA A 55 -31.904 -2.129 -0.751 1.00 0.00 C ATOM 0 H ALA A 55 -31.974 -1.562 -3.081 1.00 0.00 H new ATOM 0 HA ALA A 55 -32.690 -3.985 -1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -32.059 -2.447 0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -30.870 -2.320 -1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -32.113 -1.063 -0.837 1.00 0.00 H new ATOM 919 N ALA A 56 -34.838 -1.530 -1.771 1.00 0.00 N ATOM 920 CA ALA A 56 -36.259 -1.208 -1.458 1.00 0.00 C ATOM 921 C ALA A 56 -37.189 -2.186 -2.179 1.00 0.00 C ATOM 922 O ALA A 56 -38.107 -2.729 -1.598 1.00 0.00 O ATOM 923 CB ALA A 56 -36.468 0.215 -1.978 1.00 0.00 C ATOM 0 H ALA A 56 -34.352 -0.842 -2.346 1.00 0.00 H new ATOM 0 HA ALA A 56 -36.477 -1.286 -0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -37.495 0.526 -1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -35.782 0.892 -1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -36.277 0.242 -3.051 1.00 0.00 H new ATOM 929 N PHE A 57 -36.954 -2.420 -3.442 1.00 0.00 N ATOM 930 CA PHE A 57 -37.822 -3.367 -4.198 1.00 0.00 C ATOM 931 C PHE A 57 -37.593 -4.797 -3.702 1.00 0.00 C ATOM 932 O PHE A 57 -38.467 -5.637 -3.775 1.00 0.00 O ATOM 933 CB PHE A 57 -37.387 -3.228 -5.658 1.00 0.00 C ATOM 934 CG PHE A 57 -38.254 -2.201 -6.346 1.00 0.00 C ATOM 935 CD1 PHE A 57 -39.550 -2.539 -6.753 1.00 0.00 C ATOM 936 CD2 PHE A 57 -37.762 -0.912 -6.578 1.00 0.00 C ATOM 937 CE1 PHE A 57 -40.354 -1.587 -7.392 1.00 0.00 C ATOM 938 CE2 PHE A 57 -38.565 0.040 -7.217 1.00 0.00 C ATOM 939 CZ PHE A 57 -39.862 -0.297 -7.623 1.00 0.00 C ATOM 0 H PHE A 57 -36.199 -1.997 -3.982 1.00 0.00 H new ATOM 0 HA PHE A 57 -38.882 -3.150 -4.069 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -36.340 -2.929 -5.710 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -37.470 -4.189 -6.166 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -39.930 -3.534 -6.574 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -36.762 -0.651 -6.264 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -41.354 -1.848 -7.707 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -38.184 1.034 -7.397 1.00 0.00 H new ATOM 0 HZ PHE A 57 -40.482 0.438 -8.114 1.00 0.00 H new ATOM 949 N TYR A 58 -36.423 -5.078 -3.195 1.00 0.00 N ATOM 950 CA TYR A 58 -36.139 -6.453 -2.693 1.00 0.00 C ATOM 951 C TYR A 58 -36.548 -6.573 -1.222 1.00 0.00 C ATOM 952 O TYR A 58 -36.616 -7.655 -0.673 1.00 0.00 O ATOM 953 CB TYR A 58 -34.628 -6.627 -2.846 1.00 0.00 C ATOM 954 CG TYR A 58 -34.282 -8.096 -2.797 1.00 0.00 C ATOM 955 CD1 TYR A 58 -34.272 -8.772 -1.571 1.00 0.00 C ATOM 956 CD2 TYR A 58 -33.972 -8.782 -3.977 1.00 0.00 C ATOM 957 CE1 TYR A 58 -33.952 -10.134 -1.526 1.00 0.00 C ATOM 958 CE2 TYR A 58 -33.651 -10.144 -3.932 1.00 0.00 C ATOM 959 CZ TYR A 58 -33.641 -10.820 -2.706 1.00 0.00 C ATOM 960 OH TYR A 58 -33.325 -12.162 -2.662 1.00 0.00 O ATOM 0 H TYR A 58 -35.652 -4.416 -3.107 1.00 0.00 H new ATOM 0 HA TYR A 58 -36.694 -7.215 -3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -34.295 -6.196 -3.790 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -34.108 -6.093 -2.051 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -34.511 -8.243 -0.660 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -33.980 -8.260 -4.923 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -33.945 -10.656 -0.580 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -33.411 -10.673 -4.843 1.00 0.00 H new ATOM 0 HH TYR A 58 -33.137 -12.484 -3.568 1.00 0.00 H new ATOM 970 N TYR A 59 -36.822 -5.469 -0.581 1.00 0.00 N ATOM 971 CA TYR A 59 -37.228 -5.522 0.854 1.00 0.00 C ATOM 972 C TYR A 59 -38.580 -4.831 1.047 1.00 0.00 C ATOM 973 O TYR A 59 -38.942 -4.445 2.141 1.00 0.00 O ATOM 974 CB TYR A 59 -36.129 -4.771 1.609 1.00 0.00 C ATOM 975 CG TYR A 59 -36.540 -4.590 3.050 1.00 0.00 C ATOM 976 CD1 TYR A 59 -37.137 -5.648 3.746 1.00 0.00 C ATOM 977 CD2 TYR A 59 -36.325 -3.363 3.691 1.00 0.00 C ATOM 978 CE1 TYR A 59 -37.518 -5.480 5.083 1.00 0.00 C ATOM 979 CE2 TYR A 59 -36.707 -3.195 5.027 1.00 0.00 C ATOM 980 CZ TYR A 59 -37.303 -4.254 5.723 1.00 0.00 C ATOM 981 OH TYR A 59 -37.679 -4.088 7.041 1.00 0.00 O ATOM 0 H TYR A 59 -36.783 -4.534 -0.987 1.00 0.00 H new ATOM 0 HA TYR A 59 -37.340 -6.545 1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -35.192 -5.325 1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -35.953 -3.800 1.145 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -37.304 -6.594 3.252 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -35.865 -2.547 3.154 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -37.978 -6.296 5.620 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -36.542 -2.249 5.521 1.00 0.00 H new ATOM 0 HH TYR A 59 -37.458 -3.179 7.332 1.00 0.00 H new ATOM 991 N ARG A 60 -39.331 -4.671 -0.009 1.00 0.00 N ATOM 992 CA ARG A 60 -40.659 -4.004 0.115 1.00 0.00 C ATOM 993 C ARG A 60 -41.591 -4.842 0.995 1.00 0.00 C ATOM 994 O ARG A 60 -42.263 -5.739 0.525 1.00 0.00 O ATOM 995 CB ARG A 60 -41.197 -3.926 -1.314 1.00 0.00 C ATOM 996 CG ARG A 60 -42.424 -3.012 -1.349 1.00 0.00 C ATOM 997 CD ARG A 60 -42.634 -2.491 -2.772 1.00 0.00 C ATOM 998 NE ARG A 60 -41.506 -1.547 -3.006 1.00 0.00 N ATOM 999 CZ ARG A 60 -41.712 -0.431 -3.650 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -42.732 0.322 -3.341 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -40.898 -0.068 -4.603 1.00 0.00 N ATOM 0 H ARG A 60 -39.083 -4.973 -0.951 1.00 0.00 H new ATOM 0 HA ARG A 60 -40.586 -3.020 0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -40.426 -3.544 -1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -41.462 -4.922 -1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -43.307 -3.558 -1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -42.288 -2.177 -0.661 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -42.624 -3.306 -3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -43.596 -1.989 -2.871 1.00 0.00 H new ATOM 0 HE ARG A 60 -40.572 -1.773 -2.663 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -43.368 0.038 -2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -42.893 1.194 -3.844 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -40.101 -0.657 -4.845 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -41.059 0.804 -5.106 1.00 0.00 H new ATOM 1015 N VAL A 61 -41.639 -4.554 2.267 1.00 0.00 N ATOM 1016 CA VAL A 61 -42.530 -5.332 3.176 1.00 0.00 C ATOM 1017 C VAL A 61 -42.441 -4.779 4.604 1.00 0.00 C ATOM 1018 O VAL A 61 -41.415 -4.207 4.933 1.00 0.00 O ATOM 1019 CB VAL A 61 -42.010 -6.779 3.106 1.00 0.00 C ATOM 1020 CG1 VAL A 61 -40.840 -6.974 4.077 1.00 0.00 C ATOM 1021 CG2 VAL A 61 -43.141 -7.740 3.479 1.00 0.00 C ATOM 1022 OXT VAL A 61 -43.400 -4.939 5.340 1.00 0.00 O ATOM 0 H VAL A 61 -41.100 -3.814 2.717 1.00 0.00 H new ATOM 0 HA VAL A 61 -43.578 -5.271 2.884 1.00 0.00 H new ATOM 0 HB VAL A 61 -41.665 -6.982 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -40.484 -8.002 4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -40.031 -6.293 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -41.172 -6.765 5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -42.777 -8.766 3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -43.483 -7.524 4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -43.969 -7.615 2.781 1.00 0.00 H new TER 1032 VAL A 61