USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 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+ 152:sc= 0.572 (180deg=0.076) USER MOD Single : A 1 SER OG : rot 180:sc= 0.162 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.923! USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.628 X(o=-0.63,f=-0.46) 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 K(o=0,f=-0.74) 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 : amide:sc= -0.722 X(o=-0.72,f=-0.91) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0464 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.47! C(o=-1.5!,f=-4.1!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 43 GLN : amide:sc= -0.016 K(o=-0.016,f=-1.6!) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.141 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0199 USER MOD Single : A 53 ASN : amide:sc= -0.676 X(o=-0.68,f=-0.68) 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 -36.709 -7.864 12.367 1.00 0.00 N ATOM 2 CA SER A 1 -36.521 -6.533 11.721 1.00 0.00 C ATOM 3 C SER A 1 -36.024 -6.708 10.284 1.00 0.00 C ATOM 4 O SER A 1 -34.847 -6.894 10.043 1.00 0.00 O ATOM 5 CB SER A 1 -35.467 -5.826 12.571 1.00 0.00 C ATOM 6 OG SER A 1 -35.579 -6.264 13.918 1.00 0.00 O ATOM 0 H1 SER A 1 -36.577 -7.773 13.395 1.00 0.00 H new ATOM 0 H2 SER A 1 -37.669 -8.213 12.171 1.00 0.00 H new ATOM 0 H3 SER A 1 -36.012 -8.536 11.987 1.00 0.00 H new ATOM 0 HA SER A 1 -37.450 -5.965 11.668 1.00 0.00 H new ATOM 0 HB2 SER A 1 -34.470 -6.042 12.188 1.00 0.00 H new ATOM 0 HB3 SER A 1 -35.603 -4.746 12.515 1.00 0.00 H new ATOM 0 HG SER A 1 -34.903 -5.813 14.466 1.00 0.00 H new ATOM 14 N ASP A 2 -36.910 -6.650 9.327 1.00 0.00 N ATOM 15 CA ASP A 2 -36.489 -6.813 7.910 1.00 0.00 C ATOM 16 C ASP A 2 -37.289 -5.859 7.018 1.00 0.00 C ATOM 17 O ASP A 2 -37.841 -4.881 7.479 1.00 0.00 O ATOM 18 CB ASP A 2 -36.808 -8.271 7.572 1.00 0.00 C ATOM 19 CG ASP A 2 -35.887 -8.751 6.449 1.00 0.00 C ATOM 20 OD1 ASP A 2 -36.144 -8.401 5.309 1.00 0.00 O ATOM 21 OD2 ASP A 2 -34.940 -9.460 6.748 1.00 0.00 O ATOM 0 H ASP A 2 -37.909 -6.496 9.468 1.00 0.00 H new ATOM 0 HA ASP A 2 -35.435 -6.584 7.755 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -36.678 -8.896 8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -37.850 -8.364 7.266 1.00 0.00 H new ATOM 26 N VAL A 3 -37.354 -6.137 5.745 1.00 0.00 N ATOM 27 CA VAL A 3 -38.118 -5.249 4.818 1.00 0.00 C ATOM 28 C VAL A 3 -37.452 -3.873 4.727 1.00 0.00 C ATOM 29 O VAL A 3 -37.982 -2.955 4.134 1.00 0.00 O ATOM 30 CB VAL A 3 -39.512 -5.127 5.434 1.00 0.00 C ATOM 31 CG1 VAL A 3 -40.490 -4.603 4.381 1.00 0.00 C ATOM 32 CG2 VAL A 3 -39.981 -6.500 5.922 1.00 0.00 C ATOM 0 H VAL A 3 -36.910 -6.943 5.304 1.00 0.00 H new ATOM 0 HA VAL A 3 -38.154 -5.652 3.806 1.00 0.00 H new ATOM 0 HB VAL A 3 -39.475 -4.436 6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -41.484 -4.516 4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -40.160 -3.624 4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -40.524 -5.295 3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -40.975 -6.410 6.361 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -40.017 -7.192 5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -39.286 -6.876 6.672 1.00 0.00 H new ATOM 42 N LEU A 4 -36.295 -3.722 5.310 1.00 0.00 N ATOM 43 CA LEU A 4 -35.598 -2.405 5.255 1.00 0.00 C ATOM 44 C LEU A 4 -34.608 -2.378 4.087 1.00 0.00 C ATOM 45 O LEU A 4 -33.423 -2.182 4.269 1.00 0.00 O ATOM 46 CB LEU A 4 -34.859 -2.292 6.589 1.00 0.00 C ATOM 47 CG LEU A 4 -33.848 -3.430 6.711 1.00 0.00 C ATOM 48 CD1 LEU A 4 -32.432 -2.880 6.538 1.00 0.00 C ATOM 49 CD2 LEU A 4 -33.977 -4.081 8.089 1.00 0.00 C ATOM 0 H LEU A 4 -35.802 -4.453 5.822 1.00 0.00 H new ATOM 0 HA LEU A 4 -36.290 -1.577 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -34.350 -1.331 6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -35.569 -2.333 7.415 1.00 0.00 H new ATOM 0 HG LEU A 4 -34.044 -4.172 5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -31.712 -3.694 6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -32.339 -2.417 5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -32.234 -2.136 7.310 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -33.256 -4.893 8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -33.782 -3.338 8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -34.985 -4.476 8.212 1.00 0.00 H new ATOM 61 N ASP A 5 -35.086 -2.572 2.888 1.00 0.00 N ATOM 62 CA ASP A 5 -34.171 -2.557 1.709 1.00 0.00 C ATOM 63 C ASP A 5 -34.972 -2.392 0.416 1.00 0.00 C ATOM 64 O ASP A 5 -34.774 -1.455 -0.332 1.00 0.00 O ATOM 65 CB ASP A 5 -33.453 -3.911 1.731 1.00 0.00 C ATOM 66 CG ASP A 5 -34.430 -5.017 2.139 1.00 0.00 C ATOM 67 OD1 ASP A 5 -34.880 -4.993 3.273 1.00 0.00 O ATOM 68 OD2 ASP A 5 -34.711 -5.867 1.311 1.00 0.00 O ATOM 0 H ASP A 5 -36.069 -2.740 2.673 1.00 0.00 H new ATOM 0 HA ASP A 5 -33.465 -1.727 1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -33.037 -4.127 0.747 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -32.617 -3.877 2.430 1.00 0.00 H new ATOM 73 N ILE A 6 -35.878 -3.291 0.145 1.00 0.00 N ATOM 74 CA ILE A 6 -36.685 -3.178 -1.095 1.00 0.00 C ATOM 75 C ILE A 6 -37.636 -1.988 -0.988 1.00 0.00 C ATOM 76 O ILE A 6 -37.632 -1.259 -0.016 1.00 0.00 O ATOM 77 CB ILE A 6 -37.470 -4.487 -1.180 1.00 0.00 C ATOM 78 CG1 ILE A 6 -38.559 -4.498 -0.105 1.00 0.00 C ATOM 79 CG2 ILE A 6 -36.521 -5.666 -0.956 1.00 0.00 C ATOM 80 CD1 ILE A 6 -39.360 -5.798 -0.204 1.00 0.00 C ATOM 0 H ILE A 6 -36.092 -4.098 0.731 1.00 0.00 H new ATOM 0 HA ILE A 6 -36.069 -3.019 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 6 -37.930 -4.572 -2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -38.110 -4.410 0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -39.220 -3.641 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -37.080 -6.600 -1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -35.744 -5.658 -1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -36.062 -5.581 0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -40.136 -5.806 0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -39.821 -5.867 -1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -38.694 -6.648 -0.055 1.00 0.00 H new ATOM 92 N THR A 7 -38.449 -1.789 -1.981 1.00 0.00 N ATOM 93 CA THR A 7 -39.407 -0.646 -1.951 1.00 0.00 C ATOM 94 C THR A 7 -38.725 0.609 -1.396 1.00 0.00 C ATOM 95 O THR A 7 -39.367 1.483 -0.848 1.00 0.00 O ATOM 96 CB THR A 7 -40.534 -1.099 -1.021 1.00 0.00 C ATOM 97 OG1 THR A 7 -41.088 -2.313 -1.509 1.00 0.00 O ATOM 98 CG2 THR A 7 -41.620 -0.024 -0.969 1.00 0.00 C ATOM 0 H THR A 7 -38.495 -2.369 -2.818 1.00 0.00 H new ATOM 0 HA THR A 7 -39.774 -0.391 -2.945 1.00 0.00 H new ATOM 0 HB THR A 7 -40.137 -1.257 -0.018 1.00 0.00 H new ATOM 0 HG1 THR A 7 -41.809 -2.606 -0.914 1.00 0.00 H new ATOM 0 HG21 THR A 7 -42.422 -0.349 -0.306 1.00 0.00 H new ATOM 0 HG22 THR A 7 -41.193 0.906 -0.594 1.00 0.00 H new ATOM 0 HG23 THR A 7 -42.020 0.138 -1.970 1.00 0.00 H new ATOM 106 N ALA A 8 -37.430 0.708 -1.533 1.00 0.00 N ATOM 107 CA ALA A 8 -36.715 1.908 -1.011 1.00 0.00 C ATOM 108 C ALA A 8 -35.517 2.240 -1.904 1.00 0.00 C ATOM 109 O ALA A 8 -35.502 1.923 -3.077 1.00 0.00 O ATOM 110 CB ALA A 8 -36.248 1.513 0.390 1.00 0.00 C ATOM 0 H ALA A 8 -36.837 0.011 -1.983 1.00 0.00 H new ATOM 0 HA ALA A 8 -37.351 2.793 -0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -35.711 2.346 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -37.113 1.262 1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -35.587 0.649 0.323 1.00 0.00 H new ATOM 116 N ASP A 9 -34.513 2.871 -1.352 1.00 0.00 N ATOM 117 CA ASP A 9 -33.305 3.226 -2.155 1.00 0.00 C ATOM 118 C ASP A 9 -33.699 3.639 -3.577 1.00 0.00 C ATOM 119 O ASP A 9 -33.187 3.110 -4.542 1.00 0.00 O ATOM 120 CB ASP A 9 -32.462 1.952 -2.172 1.00 0.00 C ATOM 121 CG ASP A 9 -33.110 0.917 -3.094 1.00 0.00 C ATOM 122 OD1 ASP A 9 -33.988 0.208 -2.631 1.00 0.00 O ATOM 123 OD2 ASP A 9 -32.714 0.848 -4.246 1.00 0.00 O ATOM 0 H ASP A 9 -34.478 3.157 -0.374 1.00 0.00 H new ATOM 0 HA ASP A 9 -32.763 4.072 -1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -31.452 2.177 -2.515 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -32.373 1.549 -1.163 1.00 0.00 H new ATOM 128 N PRO A 10 -34.602 4.579 -3.653 1.00 0.00 N ATOM 129 CA PRO A 10 -35.077 5.075 -4.968 1.00 0.00 C ATOM 130 C PRO A 10 -34.005 5.947 -5.628 1.00 0.00 C ATOM 131 O PRO A 10 -33.938 6.057 -6.836 1.00 0.00 O ATOM 132 CB PRO A 10 -36.309 5.902 -4.614 1.00 0.00 C ATOM 133 CG PRO A 10 -36.101 6.323 -3.193 1.00 0.00 C ATOM 134 CD PRO A 10 -35.259 5.261 -2.533 1.00 0.00 C ATOM 0 HA PRO A 10 -35.296 4.275 -5.675 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -36.406 6.766 -5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -37.222 5.316 -4.722 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -35.604 7.292 -3.148 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -37.057 6.431 -2.680 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -34.531 5.697 -1.849 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -35.871 4.572 -1.950 1.00 0.00 H new ATOM 142 N THR A 11 -33.167 6.569 -4.844 1.00 0.00 N ATOM 143 CA THR A 11 -32.101 7.433 -5.428 1.00 0.00 C ATOM 144 C THR A 11 -30.939 7.579 -4.441 1.00 0.00 C ATOM 145 O THR A 11 -30.207 8.548 -4.468 1.00 0.00 O ATOM 146 CB THR A 11 -32.775 8.785 -5.668 1.00 0.00 C ATOM 147 OG1 THR A 11 -34.181 8.602 -5.754 1.00 0.00 O ATOM 148 CG2 THR A 11 -32.255 9.392 -6.972 1.00 0.00 C ATOM 0 H THR A 11 -33.174 6.517 -3.825 1.00 0.00 H new ATOM 0 HA THR A 11 -31.687 7.016 -6.346 1.00 0.00 H new ATOM 0 HB THR A 11 -32.546 9.458 -4.842 1.00 0.00 H new ATOM 0 HG1 THR A 11 -34.615 9.467 -5.906 1.00 0.00 H new ATOM 0 HG21 THR A 11 -32.736 10.355 -7.142 1.00 0.00 H new ATOM 0 HG22 THR A 11 -31.176 9.532 -6.903 1.00 0.00 H new ATOM 0 HG23 THR A 11 -32.482 8.722 -7.801 1.00 0.00 H new ATOM 156 N THR A 12 -30.765 6.623 -3.570 1.00 0.00 N ATOM 157 CA THR A 12 -29.651 6.708 -2.583 1.00 0.00 C ATOM 158 C THR A 12 -28.371 6.114 -3.177 1.00 0.00 C ATOM 159 O THR A 12 -27.342 6.063 -2.533 1.00 0.00 O ATOM 160 CB THR A 12 -30.121 5.882 -1.384 1.00 0.00 C ATOM 161 OG1 THR A 12 -31.094 6.620 -0.658 1.00 0.00 O ATOM 162 CG2 THR A 12 -28.927 5.575 -0.473 1.00 0.00 C ATOM 0 H THR A 12 -31.345 5.787 -3.499 1.00 0.00 H new ATOM 0 HA THR A 12 -29.423 7.737 -2.305 1.00 0.00 H new ATOM 0 HB THR A 12 -30.558 4.947 -1.734 1.00 0.00 H new ATOM 0 HG1 THR A 12 -31.398 6.093 0.110 1.00 0.00 H new ATOM 0 HG21 THR A 12 -29.263 4.987 0.381 1.00 0.00 H new ATOM 0 HG22 THR A 12 -28.179 5.011 -1.031 1.00 0.00 H new ATOM 0 HG23 THR A 12 -28.489 6.509 -0.120 1.00 0.00 H new ATOM 170 N ALA A 13 -28.427 5.665 -4.401 1.00 0.00 N ATOM 171 CA ALA A 13 -27.213 5.075 -5.037 1.00 0.00 C ATOM 172 C ALA A 13 -26.478 4.171 -4.044 1.00 0.00 C ATOM 173 O ALA A 13 -25.327 4.400 -3.730 1.00 0.00 O ATOM 174 CB ALA A 13 -26.343 6.274 -5.416 1.00 0.00 C ATOM 0 H ALA A 13 -29.260 5.681 -4.989 1.00 0.00 H new ATOM 0 HA ALA A 13 -27.459 4.459 -5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -25.427 5.923 -5.891 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -26.889 6.915 -6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -26.092 6.840 -4.519 1.00 0.00 H new ATOM 180 N PRO A 14 -27.173 3.167 -3.583 1.00 0.00 N ATOM 181 CA PRO A 14 -26.582 2.209 -2.614 1.00 0.00 C ATOM 182 C PRO A 14 -25.543 1.325 -3.311 1.00 0.00 C ATOM 183 O PRO A 14 -24.461 1.103 -2.803 1.00 0.00 O ATOM 184 CB PRO A 14 -27.784 1.377 -2.155 1.00 0.00 C ATOM 185 CG PRO A 14 -28.766 1.479 -3.277 1.00 0.00 C ATOM 186 CD PRO A 14 -28.561 2.829 -3.915 1.00 0.00 C ATOM 0 HA PRO A 14 -26.066 2.696 -1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -27.501 0.341 -1.969 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -28.202 1.764 -1.226 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -28.608 0.681 -4.002 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -29.786 1.377 -2.908 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -28.716 2.789 -4.993 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -29.258 3.568 -3.520 1.00 0.00 H new ATOM 194 N GLN A 15 -25.863 0.820 -4.470 1.00 0.00 N ATOM 195 CA GLN A 15 -24.894 -0.049 -5.198 1.00 0.00 C ATOM 196 C GLN A 15 -23.516 0.618 -5.245 1.00 0.00 C ATOM 197 O GLN A 15 -22.535 0.072 -4.780 1.00 0.00 O ATOM 198 CB GLN A 15 -25.469 -0.191 -6.608 1.00 0.00 C ATOM 199 CG GLN A 15 -25.736 -1.668 -6.905 1.00 0.00 C ATOM 200 CD GLN A 15 -24.499 -2.493 -6.544 1.00 0.00 C ATOM 201 OE1 GLN A 15 -23.465 -2.365 -7.169 1.00 0.00 O ATOM 202 NE2 GLN A 15 -24.561 -3.340 -5.553 1.00 0.00 N ATOM 0 H GLN A 15 -26.753 0.971 -4.945 1.00 0.00 H new ATOM 0 HA GLN A 15 -24.762 -1.016 -4.713 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -26.393 0.381 -6.695 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -24.772 0.217 -7.339 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -26.597 -2.015 -6.334 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -25.979 -1.800 -7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -25.429 -3.448 -5.028 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -23.742 -3.894 -5.304 1.00 0.00 H new ATOM 211 N THR A 16 -23.435 1.794 -5.804 1.00 0.00 N ATOM 212 CA THR A 16 -22.120 2.492 -5.879 1.00 0.00 C ATOM 213 C THR A 16 -21.626 2.835 -4.471 1.00 0.00 C ATOM 214 O THR A 16 -20.440 2.930 -4.226 1.00 0.00 O ATOM 215 CB THR A 16 -22.389 3.765 -6.688 1.00 0.00 C ATOM 216 OG1 THR A 16 -22.473 3.435 -8.068 1.00 0.00 O ATOM 217 CG2 THR A 16 -21.250 4.764 -6.471 1.00 0.00 C ATOM 0 H THR A 16 -24.221 2.301 -6.211 1.00 0.00 H new ATOM 0 HA THR A 16 -21.349 1.877 -6.343 1.00 0.00 H new ATOM 0 HB THR A 16 -23.327 4.212 -6.360 1.00 0.00 H new ATOM 0 HG1 THR A 16 -22.647 4.247 -8.589 1.00 0.00 H new ATOM 0 HG21 THR A 16 -21.444 5.668 -7.048 1.00 0.00 H new ATOM 0 HG22 THR A 16 -21.184 5.016 -5.413 1.00 0.00 H new ATOM 0 HG23 THR A 16 -20.310 4.320 -6.798 1.00 0.00 H new ATOM 225 N GLU A 17 -22.525 3.020 -3.542 1.00 0.00 N ATOM 226 CA GLU A 17 -22.105 3.353 -2.157 1.00 0.00 C ATOM 227 C GLU A 17 -21.241 2.226 -1.585 1.00 0.00 C ATOM 228 O GLU A 17 -20.197 2.460 -1.008 1.00 0.00 O ATOM 229 CB GLU A 17 -23.408 3.485 -1.368 1.00 0.00 C ATOM 230 CG GLU A 17 -23.499 4.887 -0.762 1.00 0.00 C ATOM 231 CD GLU A 17 -23.279 5.932 -1.858 1.00 0.00 C ATOM 232 OE1 GLU A 17 -23.170 5.541 -3.009 1.00 0.00 O ATOM 233 OE2 GLU A 17 -23.223 7.105 -1.528 1.00 0.00 O ATOM 0 H GLU A 17 -23.533 2.954 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.510 4.265 -2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -24.261 3.304 -2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -23.446 2.733 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -24.474 5.031 -0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -22.752 5.005 0.023 1.00 0.00 H new ATOM 240 N ARG A 18 -21.669 1.003 -1.745 1.00 0.00 N ATOM 241 CA ARG A 18 -20.875 -0.140 -1.214 1.00 0.00 C ATOM 242 C ARG A 18 -19.602 -0.327 -2.044 1.00 0.00 C ATOM 243 O ARG A 18 -18.531 -0.549 -1.514 1.00 0.00 O ATOM 244 CB ARG A 18 -21.790 -1.358 -1.352 1.00 0.00 C ATOM 245 CG ARG A 18 -20.965 -2.638 -1.206 1.00 0.00 C ATOM 246 CD ARG A 18 -20.299 -2.662 0.171 1.00 0.00 C ATOM 247 NE ARG A 18 -21.069 -3.668 0.953 1.00 0.00 N ATOM 248 CZ ARG A 18 -20.748 -4.931 0.887 1.00 0.00 C ATOM 249 NH1 ARG A 18 -21.257 -5.686 -0.048 1.00 0.00 N ATOM 250 NH2 ARG A 18 -19.918 -5.440 1.756 1.00 0.00 N ATOM 0 H ARG A 18 -22.534 0.747 -2.221 1.00 0.00 H new ATOM 0 HA ARG A 18 -20.562 0.018 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -22.570 -1.327 -0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -22.289 -1.343 -2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.605 -3.512 -1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -20.208 -2.687 -1.989 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -19.248 -2.940 0.096 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -20.336 -1.681 0.645 1.00 0.00 H new ATOM 0 HE ARG A 18 -21.848 -3.370 1.541 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -21.906 -5.289 -0.727 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -21.006 -6.673 -0.099 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.520 -4.850 2.487 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.667 -6.427 1.704 1.00 0.00 H new ATOM 264 N MET A 19 -19.709 -0.235 -3.341 1.00 0.00 N ATOM 265 CA MET A 19 -18.502 -0.405 -4.200 1.00 0.00 C ATOM 266 C MET A 19 -17.472 0.679 -3.878 1.00 0.00 C ATOM 267 O MET A 19 -16.284 0.429 -3.844 1.00 0.00 O ATOM 268 CB MET A 19 -19.010 -0.257 -5.635 1.00 0.00 C ATOM 269 CG MET A 19 -18.643 -1.507 -6.437 1.00 0.00 C ATOM 270 SD MET A 19 -19.443 -2.954 -5.700 1.00 0.00 S ATOM 271 CE MET A 19 -18.757 -4.191 -6.827 1.00 0.00 C ATOM 0 H MET A 19 -20.578 -0.050 -3.843 1.00 0.00 H new ATOM 0 HA MET A 19 -18.013 -1.366 -4.041 1.00 0.00 H new ATOM 0 HB2 MET A 19 -20.091 -0.115 -5.637 1.00 0.00 H new ATOM 0 HB3 MET A 19 -18.572 0.627 -6.098 1.00 0.00 H new ATOM 0 HG2 MET A 19 -18.959 -1.392 -7.474 1.00 0.00 H new ATOM 0 HG3 MET A 19 -17.561 -1.642 -6.446 1.00 0.00 H new ATOM 0 HE1 MET A 19 -19.126 -5.179 -6.551 1.00 0.00 H new ATOM 0 HE2 MET A 19 -19.062 -3.962 -7.848 1.00 0.00 H new ATOM 0 HE3 MET A 19 -17.669 -4.179 -6.762 1.00 0.00 H new ATOM 281 N MET A 20 -17.917 1.881 -3.632 1.00 0.00 N ATOM 282 CA MET A 20 -16.959 2.972 -3.303 1.00 0.00 C ATOM 283 C MET A 20 -16.268 2.661 -1.976 1.00 0.00 C ATOM 284 O MET A 20 -15.061 2.730 -1.859 1.00 0.00 O ATOM 285 CB MET A 20 -17.817 4.233 -3.183 1.00 0.00 C ATOM 286 CG MET A 20 -17.811 4.983 -4.516 1.00 0.00 C ATOM 287 SD MET A 20 -16.119 5.484 -4.920 1.00 0.00 S ATOM 288 CE MET A 20 -16.508 6.398 -6.432 1.00 0.00 C ATOM 0 H MET A 20 -18.900 2.153 -3.645 1.00 0.00 H new ATOM 0 HA MET A 20 -16.179 3.088 -4.056 1.00 0.00 H new ATOM 0 HB2 MET A 20 -18.838 3.966 -2.908 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.431 4.874 -2.391 1.00 0.00 H new ATOM 0 HG2 MET A 20 -18.211 4.347 -5.305 1.00 0.00 H new ATOM 0 HG3 MET A 20 -18.456 5.859 -4.455 1.00 0.00 H new ATOM 0 HE1 MET A 20 -15.590 6.803 -6.859 1.00 0.00 H new ATOM 0 HE2 MET A 20 -16.978 5.728 -7.152 1.00 0.00 H new ATOM 0 HE3 MET A 20 -17.190 7.215 -6.198 1.00 0.00 H new ATOM 298 N ARG A 21 -17.029 2.313 -0.975 1.00 0.00 N ATOM 299 CA ARG A 21 -16.425 1.991 0.344 1.00 0.00 C ATOM 300 C ARG A 21 -15.380 0.884 0.186 1.00 0.00 C ATOM 301 O ARG A 21 -14.381 0.857 0.878 1.00 0.00 O ATOM 302 CB ARG A 21 -17.592 1.510 1.207 1.00 0.00 C ATOM 303 CG ARG A 21 -17.054 0.939 2.521 1.00 0.00 C ATOM 304 CD ARG A 21 -18.145 0.111 3.203 1.00 0.00 C ATOM 305 NE ARG A 21 -19.325 1.017 3.277 1.00 0.00 N ATOM 306 CZ ARG A 21 -19.487 1.794 4.312 1.00 0.00 C ATOM 307 NH1 ARG A 21 -18.484 2.035 5.111 1.00 0.00 N ATOM 308 NH2 ARG A 21 -20.653 2.330 4.549 1.00 0.00 N ATOM 0 H ARG A 21 -18.045 2.238 -1.016 1.00 0.00 H new ATOM 0 HA ARG A 21 -15.917 2.847 0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -18.273 2.336 1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -18.163 0.749 0.674 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.179 0.319 2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -16.733 1.748 3.177 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.373 -0.789 2.632 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -17.833 -0.213 4.196 1.00 0.00 H new ATOM 0 HE ARG A 21 -20.006 1.030 2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.573 1.616 4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.611 2.643 5.920 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -21.437 2.141 3.925 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.780 2.938 5.358 1.00 0.00 H new ATOM 322 N ILE A 22 -15.601 -0.031 -0.720 1.00 0.00 N ATOM 323 CA ILE A 22 -14.619 -1.134 -0.920 1.00 0.00 C ATOM 324 C ILE A 22 -13.362 -0.604 -1.614 1.00 0.00 C ATOM 325 O ILE A 22 -12.259 -1.025 -1.329 1.00 0.00 O ATOM 326 CB ILE A 22 -15.337 -2.147 -1.812 1.00 0.00 C ATOM 327 CG1 ILE A 22 -16.381 -2.902 -0.987 1.00 0.00 C ATOM 328 CG2 ILE A 22 -14.321 -3.140 -2.379 1.00 0.00 C ATOM 329 CD1 ILE A 22 -15.676 -3.766 0.061 1.00 0.00 C ATOM 0 H ILE A 22 -16.419 -0.062 -1.329 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.298 -1.577 0.023 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.829 -1.624 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.054 -2.197 -0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -16.992 -3.527 -1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -14.834 -3.862 -3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.576 -2.603 -2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.828 -3.664 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -16.420 -4.304 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -15.021 -4.481 -0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -15.084 -3.130 0.719 1.00 0.00 H new ATOM 341 N ASN A 23 -13.520 0.319 -2.524 1.00 0.00 N ATOM 342 CA ASN A 23 -12.333 0.875 -3.235 1.00 0.00 C ATOM 343 C ASN A 23 -11.473 1.692 -2.268 1.00 0.00 C ATOM 344 O ASN A 23 -10.272 1.793 -2.424 1.00 0.00 O ATOM 345 CB ASN A 23 -12.912 1.774 -4.328 1.00 0.00 C ATOM 346 CG ASN A 23 -13.110 0.959 -5.608 1.00 0.00 C ATOM 347 OD1 ASN A 23 -13.328 -0.235 -5.554 1.00 0.00 O ATOM 348 ND2 ASN A 23 -13.043 1.558 -6.765 1.00 0.00 N ATOM 0 H ASN A 23 -14.418 0.712 -2.806 1.00 0.00 H new ATOM 0 HA ASN A 23 -11.694 0.094 -3.646 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.863 2.195 -4.002 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.241 2.612 -4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.174 1.024 -7.624 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.860 2.560 -6.810 1.00 0.00 H new ATOM 355 N TRP A 24 -12.077 2.274 -1.268 1.00 0.00 N ATOM 356 CA TRP A 24 -11.292 3.082 -0.291 1.00 0.00 C ATOM 357 C TRP A 24 -10.561 2.160 0.688 1.00 0.00 C ATOM 358 O TRP A 24 -9.384 2.320 0.946 1.00 0.00 O ATOM 359 CB TRP A 24 -12.328 3.933 0.444 1.00 0.00 C ATOM 360 CG TRP A 24 -12.033 5.383 0.220 1.00 0.00 C ATOM 361 CD1 TRP A 24 -12.250 6.373 1.120 1.00 0.00 C ATOM 362 CD2 TRP A 24 -11.472 6.024 -0.964 1.00 0.00 C ATOM 363 NE1 TRP A 24 -11.857 7.577 0.563 1.00 0.00 N ATOM 364 CE2 TRP A 24 -11.371 7.414 -0.719 1.00 0.00 C ATOM 365 CE3 TRP A 24 -11.046 5.538 -2.213 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -10.865 8.290 -1.679 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -10.536 6.418 -3.182 1.00 0.00 C ATOM 368 CH2 TRP A 24 -10.445 7.791 -2.915 1.00 0.00 C ATOM 0 H TRP A 24 -13.079 2.225 -1.085 1.00 0.00 H new ATOM 0 HA TRP A 24 -10.533 3.696 -0.777 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -13.330 3.695 0.086 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -12.309 3.708 1.510 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -12.662 6.243 2.110 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -11.919 8.476 1.041 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -11.111 4.482 -2.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -10.798 9.347 -1.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -10.212 6.034 -4.138 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -10.051 8.462 -3.663 1.00 0.00 H new ATOM 379 N LYS A 25 -11.249 1.194 1.233 1.00 0.00 N ATOM 380 CA LYS A 25 -10.592 0.261 2.193 1.00 0.00 C ATOM 381 C LYS A 25 -9.415 -0.447 1.518 1.00 0.00 C ATOM 382 O LYS A 25 -8.369 -0.634 2.108 1.00 0.00 O ATOM 383 CB LYS A 25 -11.678 -0.746 2.573 1.00 0.00 C ATOM 384 CG LYS A 25 -11.036 -1.960 3.247 1.00 0.00 C ATOM 385 CD LYS A 25 -12.074 -2.668 4.120 1.00 0.00 C ATOM 386 CE LYS A 25 -11.381 -3.293 5.333 1.00 0.00 C ATOM 387 NZ LYS A 25 -12.459 -4.021 6.058 1.00 0.00 N ATOM 0 H LYS A 25 -12.237 1.010 1.055 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.194 0.778 3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.399 -0.282 3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.226 -1.058 1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.651 -2.646 2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.188 -1.645 3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.834 -1.958 4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.585 -3.439 3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.584 -3.970 5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.926 -2.530 5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.062 -4.477 6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.200 -3.350 6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.869 -4.745 5.434 1.00 0.00 H new ATOM 401 N LYS A 26 -9.576 -0.840 0.284 1.00 0.00 N ATOM 402 CA LYS A 26 -8.465 -1.534 -0.428 1.00 0.00 C ATOM 403 C LYS A 26 -7.370 -0.531 -0.798 1.00 0.00 C ATOM 404 O LYS A 26 -6.210 -0.720 -0.489 1.00 0.00 O ATOM 405 CB LYS A 26 -9.105 -2.120 -1.687 1.00 0.00 C ATOM 406 CG LYS A 26 -8.050 -2.884 -2.489 1.00 0.00 C ATOM 407 CD LYS A 26 -8.467 -2.939 -3.960 1.00 0.00 C ATOM 408 CE LYS A 26 -7.378 -2.299 -4.824 1.00 0.00 C ATOM 409 NZ LYS A 26 -8.094 -1.785 -6.025 1.00 0.00 N ATOM 0 H LYS A 26 -10.428 -0.711 -0.262 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.997 -2.304 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.923 -2.787 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.532 -1.323 -2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.081 -2.395 -2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.938 -3.894 -2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.627 -3.973 -4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.412 -2.415 -4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.873 -1.494 -4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.615 -3.026 -5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.413 -1.331 -6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.560 -2.575 -6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.810 -1.090 -5.731 1.00 0.00 H new ATOM 423 N TRP A 27 -7.730 0.535 -1.460 1.00 0.00 N ATOM 424 CA TRP A 27 -6.714 1.551 -1.852 1.00 0.00 C ATOM 425 C TRP A 27 -5.735 1.796 -0.700 1.00 0.00 C ATOM 426 O TRP A 27 -4.534 1.736 -0.870 1.00 0.00 O ATOM 427 CB TRP A 27 -7.516 2.817 -2.153 1.00 0.00 C ATOM 428 CG TRP A 27 -6.577 3.956 -2.396 1.00 0.00 C ATOM 429 CD1 TRP A 27 -6.118 4.800 -1.444 1.00 0.00 C ATOM 430 CD2 TRP A 27 -5.977 4.388 -3.651 1.00 0.00 C ATOM 431 NE1 TRP A 27 -5.274 5.723 -2.035 1.00 0.00 N ATOM 432 CE2 TRP A 27 -5.155 5.511 -3.394 1.00 0.00 C ATOM 433 CE3 TRP A 27 -6.065 3.920 -4.975 1.00 0.00 C ATOM 434 CZ2 TRP A 27 -4.446 6.147 -4.414 1.00 0.00 C ATOM 435 CZ3 TRP A 27 -5.352 4.557 -6.003 1.00 0.00 C ATOM 436 CH2 TRP A 27 -4.544 5.668 -5.723 1.00 0.00 C ATOM 0 H TRP A 27 -8.686 0.746 -1.746 1.00 0.00 H new ATOM 0 HA TRP A 27 -6.120 1.231 -2.708 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.149 2.660 -3.027 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.177 3.049 -1.318 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.369 4.760 -0.394 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.798 6.469 -1.528 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.685 3.065 -5.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.826 7.003 -4.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.426 4.189 -7.016 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.998 6.153 -6.518 1.00 0.00 H new ATOM 447 N TRP A 28 -6.240 2.072 0.472 1.00 0.00 N ATOM 448 CA TRP A 28 -5.334 2.320 1.631 1.00 0.00 C ATOM 449 C TRP A 28 -4.610 1.029 2.021 1.00 0.00 C ATOM 450 O TRP A 28 -3.424 1.029 2.287 1.00 0.00 O ATOM 451 CB TRP A 28 -6.249 2.785 2.766 1.00 0.00 C ATOM 452 CG TRP A 28 -5.793 4.122 3.256 1.00 0.00 C ATOM 453 CD1 TRP A 28 -6.368 5.304 2.936 1.00 0.00 C ATOM 454 CD2 TRP A 28 -4.682 4.434 4.146 1.00 0.00 C ATOM 455 NE1 TRP A 28 -5.680 6.322 3.573 1.00 0.00 N ATOM 456 CE2 TRP A 28 -4.633 5.836 4.330 1.00 0.00 C ATOM 457 CE3 TRP A 28 -3.722 3.645 4.804 1.00 0.00 C ATOM 458 CZ2 TRP A 28 -3.665 6.434 5.139 1.00 0.00 C ATOM 459 CZ3 TRP A 28 -2.747 4.243 5.619 1.00 0.00 C ATOM 460 CH2 TRP A 28 -2.719 5.635 5.786 1.00 0.00 C ATOM 0 H TRP A 28 -7.237 2.136 0.677 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.567 3.059 1.401 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.279 2.846 2.415 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.232 2.062 3.581 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.224 5.432 2.290 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.918 7.311 3.493 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.734 2.572 4.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.648 7.507 5.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.015 3.627 6.120 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.967 6.089 6.414 1.00 0.00 H new ATOM 471 N GLN A 29 -5.311 -0.072 2.053 1.00 0.00 N ATOM 472 CA GLN A 29 -4.655 -1.359 2.422 1.00 0.00 C ATOM 473 C GLN A 29 -3.454 -1.613 1.508 1.00 0.00 C ATOM 474 O GLN A 29 -2.329 -1.710 1.957 1.00 0.00 O ATOM 475 CB GLN A 29 -5.729 -2.427 2.209 1.00 0.00 C ATOM 476 CG GLN A 29 -5.329 -3.711 2.941 1.00 0.00 C ATOM 477 CD GLN A 29 -4.994 -3.386 4.398 1.00 0.00 C ATOM 478 OE1 GLN A 29 -3.839 -3.282 4.759 1.00 0.00 O ATOM 479 NE2 GLN A 29 -5.963 -3.219 5.256 1.00 0.00 N ATOM 0 H GLN A 29 -6.307 -0.136 1.840 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.283 -1.358 3.446 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.690 -2.070 2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.852 -2.626 1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.142 -4.436 2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.468 -4.168 2.452 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.933 -3.306 4.953 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.750 -3.001 6.230 1.00 0.00 H new ATOM 488 N VAL A 30 -3.684 -1.713 0.228 1.00 0.00 N ATOM 489 CA VAL A 30 -2.554 -1.952 -0.714 1.00 0.00 C ATOM 490 C VAL A 30 -1.540 -0.812 -0.604 1.00 0.00 C ATOM 491 O VAL A 30 -0.364 -0.986 -0.854 1.00 0.00 O ATOM 492 CB VAL A 30 -3.191 -1.974 -2.103 1.00 0.00 C ATOM 493 CG1 VAL A 30 -2.098 -2.105 -3.165 1.00 0.00 C ATOM 494 CG2 VAL A 30 -4.146 -3.165 -2.206 1.00 0.00 C ATOM 0 H VAL A 30 -4.604 -1.640 -0.206 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.021 -2.879 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.744 -1.048 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.553 -2.121 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.416 -1.257 -3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.545 -3.030 -3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.601 -3.182 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.593 -4.090 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.926 -3.073 -1.450 1.00 0.00 H new ATOM 504 N PHE A 31 -1.989 0.354 -0.226 1.00 0.00 N ATOM 505 CA PHE A 31 -1.055 1.508 -0.093 1.00 0.00 C ATOM 506 C PHE A 31 -0.089 1.267 1.070 1.00 0.00 C ATOM 507 O PHE A 31 1.113 1.357 0.920 1.00 0.00 O ATOM 508 CB PHE A 31 -1.957 2.715 0.199 1.00 0.00 C ATOM 509 CG PHE A 31 -1.102 3.936 0.441 1.00 0.00 C ATOM 510 CD1 PHE A 31 0.152 4.045 -0.171 1.00 0.00 C ATOM 511 CD2 PHE A 31 -1.564 4.957 1.280 1.00 0.00 C ATOM 512 CE1 PHE A 31 0.945 5.176 0.057 1.00 0.00 C ATOM 513 CE2 PHE A 31 -0.771 6.088 1.507 1.00 0.00 C ATOM 514 CZ PHE A 31 0.484 6.198 0.896 1.00 0.00 C ATOM 0 H PHE A 31 -2.963 0.557 -0.003 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.449 1.659 -0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.631 2.890 -0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.579 2.515 1.071 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.508 3.257 -0.819 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.532 4.872 1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.913 5.260 -0.415 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.127 6.876 2.154 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.096 7.070 1.072 1.00 0.00 H new ATOM 524 N TYR A 32 -0.604 0.958 2.229 1.00 0.00 N ATOM 525 CA TYR A 32 0.287 0.710 3.398 1.00 0.00 C ATOM 526 C TYR A 32 1.274 -0.416 3.079 1.00 0.00 C ATOM 527 O TYR A 32 2.443 -0.339 3.399 1.00 0.00 O ATOM 528 CB TYR A 32 -0.652 0.296 4.531 1.00 0.00 C ATOM 529 CG TYR A 32 0.054 0.460 5.856 1.00 0.00 C ATOM 530 CD1 TYR A 32 0.499 1.724 6.260 1.00 0.00 C ATOM 531 CD2 TYR A 32 0.262 -0.652 6.680 1.00 0.00 C ATOM 532 CE1 TYR A 32 1.154 1.877 7.488 1.00 0.00 C ATOM 533 CE2 TYR A 32 0.917 -0.500 7.909 1.00 0.00 C ATOM 534 CZ TYR A 32 1.362 0.764 8.313 1.00 0.00 C ATOM 535 OH TYR A 32 2.007 0.914 9.523 1.00 0.00 O ATOM 0 H TYR A 32 -1.602 0.867 2.417 1.00 0.00 H new ATOM 0 HA TYR A 32 0.879 1.587 3.660 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.555 0.906 4.510 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.964 -0.740 4.399 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.337 2.582 5.624 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.082 -1.627 6.368 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.499 2.852 7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.079 -1.358 8.545 1.00 0.00 H new ATOM 0 HH TYR A 32 2.068 0.045 9.971 1.00 0.00 H new ATOM 545 N THR A 33 0.811 -1.461 2.450 1.00 0.00 N ATOM 546 CA THR A 33 1.724 -2.590 2.111 1.00 0.00 C ATOM 547 C THR A 33 2.713 -2.162 1.024 1.00 0.00 C ATOM 548 O THR A 33 3.888 -2.465 1.087 1.00 0.00 O ATOM 549 CB THR A 33 0.807 -3.700 1.595 1.00 0.00 C ATOM 550 OG1 THR A 33 -0.394 -3.710 2.354 1.00 0.00 O ATOM 551 CG2 THR A 33 1.511 -5.051 1.732 1.00 0.00 C ATOM 0 H THR A 33 -0.158 -1.582 2.156 1.00 0.00 H new ATOM 0 HA THR A 33 2.315 -2.915 2.967 1.00 0.00 H new ATOM 0 HB THR A 33 0.573 -3.520 0.546 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.984 -4.420 2.024 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.857 -5.841 1.364 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.432 -5.042 1.149 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.747 -5.234 2.780 1.00 0.00 H new ATOM 559 N VAL A 34 2.248 -1.460 0.027 1.00 0.00 N ATOM 560 CA VAL A 34 3.162 -1.013 -1.062 1.00 0.00 C ATOM 561 C VAL A 34 4.274 -0.130 -0.489 1.00 0.00 C ATOM 562 O VAL A 34 5.441 -0.327 -0.766 1.00 0.00 O ATOM 563 CB VAL A 34 2.279 -0.213 -2.018 1.00 0.00 C ATOM 564 CG1 VAL A 34 3.159 0.533 -3.021 1.00 0.00 C ATOM 565 CG2 VAL A 34 1.347 -1.166 -2.769 1.00 0.00 C ATOM 0 H VAL A 34 1.274 -1.177 -0.080 1.00 0.00 H new ATOM 0 HA VAL A 34 3.648 -1.850 -1.563 1.00 0.00 H new ATOM 0 HB VAL A 34 1.686 0.504 -1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.529 1.104 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.824 1.212 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.752 -0.184 -3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.717 -0.596 -3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.940 -1.883 -3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.719 -1.699 -2.055 1.00 0.00 H new ATOM 575 N VAL A 35 3.923 0.842 0.308 1.00 0.00 N ATOM 576 CA VAL A 35 4.964 1.733 0.896 1.00 0.00 C ATOM 577 C VAL A 35 5.955 0.907 1.719 1.00 0.00 C ATOM 578 O VAL A 35 7.154 1.061 1.600 1.00 0.00 O ATOM 579 CB VAL A 35 4.197 2.705 1.793 1.00 0.00 C ATOM 580 CG1 VAL A 35 5.120 3.851 2.211 1.00 0.00 C ATOM 581 CG2 VAL A 35 3.002 3.274 1.024 1.00 0.00 C ATOM 0 H VAL A 35 2.963 1.058 0.577 1.00 0.00 H new ATOM 0 HA VAL A 35 5.541 2.257 0.134 1.00 0.00 H new ATOM 0 HB VAL A 35 3.845 2.178 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.573 4.544 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.974 3.450 2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.472 4.377 1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.455 3.967 1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.357 3.800 0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.342 2.460 0.723 1.00 0.00 H new ATOM 591 N ASP A 36 5.465 0.027 2.549 1.00 0.00 N ATOM 592 CA ASP A 36 6.385 -0.809 3.371 1.00 0.00 C ATOM 593 C ASP A 36 7.344 -1.576 2.458 1.00 0.00 C ATOM 594 O ASP A 36 8.529 -1.658 2.714 1.00 0.00 O ATOM 595 CB ASP A 36 5.474 -1.776 4.129 1.00 0.00 C ATOM 596 CG ASP A 36 4.773 -1.031 5.267 1.00 0.00 C ATOM 597 OD1 ASP A 36 4.275 0.055 5.020 1.00 0.00 O ATOM 598 OD2 ASP A 36 4.747 -1.560 6.366 1.00 0.00 O ATOM 0 H ASP A 36 4.471 -0.149 2.693 1.00 0.00 H new ATOM 0 HA ASP A 36 6.995 -0.213 4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.736 -2.204 3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.058 -2.605 4.528 1.00 0.00 H new ATOM 603 N TYR A 37 6.841 -2.132 1.390 1.00 0.00 N ATOM 604 CA TYR A 37 7.726 -2.886 0.458 1.00 0.00 C ATOM 605 C TYR A 37 8.858 -1.979 -0.030 1.00 0.00 C ATOM 606 O TYR A 37 10.010 -2.365 -0.054 1.00 0.00 O ATOM 607 CB TYR A 37 6.822 -3.293 -0.706 1.00 0.00 C ATOM 608 CG TYR A 37 7.671 -3.739 -1.872 1.00 0.00 C ATOM 609 CD1 TYR A 37 8.557 -4.813 -1.723 1.00 0.00 C ATOM 610 CD2 TYR A 37 7.570 -3.080 -3.104 1.00 0.00 C ATOM 611 CE1 TYR A 37 9.343 -5.227 -2.805 1.00 0.00 C ATOM 612 CE2 TYR A 37 8.357 -3.494 -4.185 1.00 0.00 C ATOM 613 CZ TYR A 37 9.243 -4.568 -4.036 1.00 0.00 C ATOM 614 OH TYR A 37 10.018 -4.976 -5.103 1.00 0.00 O ATOM 0 H TYR A 37 5.857 -2.097 1.123 1.00 0.00 H new ATOM 0 HA TYR A 37 8.189 -3.752 0.931 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.156 -4.099 -0.398 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.192 -2.454 -1.001 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.634 -5.322 -0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.885 -2.253 -3.220 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.027 -6.055 -2.690 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.281 -2.985 -5.134 1.00 0.00 H new ATOM 0 HH TYR A 37 9.825 -4.413 -5.882 1.00 0.00 H new ATOM 624 N VAL A 38 8.539 -0.773 -0.413 1.00 0.00 N ATOM 625 CA VAL A 38 9.598 0.159 -0.894 1.00 0.00 C ATOM 626 C VAL A 38 10.671 0.331 0.184 1.00 0.00 C ATOM 627 O VAL A 38 11.853 0.255 -0.086 1.00 0.00 O ATOM 628 CB VAL A 38 8.877 1.482 -1.151 1.00 0.00 C ATOM 629 CG1 VAL A 38 9.902 2.566 -1.486 1.00 0.00 C ATOM 630 CG2 VAL A 38 7.911 1.315 -2.326 1.00 0.00 C ATOM 0 H VAL A 38 7.592 -0.393 -0.414 1.00 0.00 H new ATOM 0 HA VAL A 38 10.100 -0.209 -1.789 1.00 0.00 H new ATOM 0 HB VAL A 38 8.321 1.771 -0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.387 3.509 -1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.592 2.685 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.459 2.277 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.396 2.258 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.468 1.026 -3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.180 0.542 -2.089 1.00 0.00 H new ATOM 640 N ASN A 39 10.269 0.555 1.406 1.00 0.00 N ATOM 641 CA ASN A 39 11.270 0.724 2.497 1.00 0.00 C ATOM 642 C ASN A 39 12.202 -0.486 2.535 1.00 0.00 C ATOM 643 O ASN A 39 13.402 -0.359 2.690 1.00 0.00 O ATOM 644 CB ASN A 39 10.447 0.812 3.783 1.00 0.00 C ATOM 645 CG ASN A 39 11.384 1.018 4.975 1.00 0.00 C ATOM 646 OD1 ASN A 39 12.486 0.508 4.992 1.00 0.00 O ATOM 647 ND2 ASN A 39 10.988 1.751 5.980 1.00 0.00 N ATOM 0 H ASN A 39 9.294 0.628 1.695 1.00 0.00 H new ATOM 0 HA ASN A 39 11.894 1.607 2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.738 1.637 3.718 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.865 -0.099 3.918 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.604 1.896 6.780 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.062 2.179 5.965 1.00 0.00 H new ATOM 654 N GLN A 40 11.657 -1.660 2.387 1.00 0.00 N ATOM 655 CA GLN A 40 12.504 -2.886 2.405 1.00 0.00 C ATOM 656 C GLN A 40 13.532 -2.825 1.274 1.00 0.00 C ATOM 657 O GLN A 40 14.679 -3.186 1.444 1.00 0.00 O ATOM 658 CB GLN A 40 11.531 -4.045 2.186 1.00 0.00 C ATOM 659 CG GLN A 40 10.496 -4.063 3.313 1.00 0.00 C ATOM 660 CD GLN A 40 11.052 -4.844 4.505 1.00 0.00 C ATOM 661 OE1 GLN A 40 11.312 -6.027 4.403 1.00 0.00 O ATOM 662 NE2 GLN A 40 11.247 -4.229 5.639 1.00 0.00 N ATOM 0 H GLN A 40 10.659 -1.825 2.254 1.00 0.00 H new ATOM 0 HA GLN A 40 13.059 -2.995 3.337 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.033 -3.938 1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 40 12.074 -4.990 2.161 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.253 -3.044 3.614 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.571 -4.522 2.964 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.029 -3.236 5.725 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.618 -4.741 6.440 1.00 0.00 H new ATOM 671 N ILE A 41 13.130 -2.364 0.120 1.00 0.00 N ATOM 672 CA ILE A 41 14.089 -2.275 -1.018 1.00 0.00 C ATOM 673 C ILE A 41 15.245 -1.345 -0.648 1.00 0.00 C ATOM 674 O ILE A 41 16.400 -1.707 -0.740 1.00 0.00 O ATOM 675 CB ILE A 41 13.283 -1.693 -2.181 1.00 0.00 C ATOM 676 CG1 ILE A 41 12.063 -2.576 -2.461 1.00 0.00 C ATOM 677 CG2 ILE A 41 14.163 -1.635 -3.432 1.00 0.00 C ATOM 678 CD1 ILE A 41 12.480 -4.048 -2.467 1.00 0.00 C ATOM 0 H ILE A 41 12.182 -2.046 -0.083 1.00 0.00 H new ATOM 0 HA ILE A 41 14.520 -3.243 -1.273 1.00 0.00 H new ATOM 0 HB ILE A 41 12.949 -0.689 -1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.299 -2.408 -1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 41 11.622 -2.309 -3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 41 13.590 -1.221 -4.261 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.030 -1.003 -3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 41 14.497 -2.640 -3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 41 11.609 -4.672 -2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.228 -4.211 -3.242 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.900 -4.311 -1.496 1.00 0.00 H new ATOM 690 N ILE A 42 14.941 -0.150 -0.221 1.00 0.00 N ATOM 691 CA ILE A 42 16.024 0.797 0.165 1.00 0.00 C ATOM 692 C ILE A 42 16.992 0.104 1.123 1.00 0.00 C ATOM 693 O ILE A 42 18.142 -0.126 0.806 1.00 0.00 O ATOM 694 CB ILE A 42 15.309 1.952 0.871 1.00 0.00 C ATOM 695 CG1 ILE A 42 14.647 2.855 -0.170 1.00 0.00 C ATOM 696 CG2 ILE A 42 16.322 2.767 1.678 1.00 0.00 C ATOM 697 CD1 ILE A 42 14.181 4.151 0.497 1.00 0.00 C ATOM 0 H ILE A 42 13.992 0.211 -0.123 1.00 0.00 H new ATOM 0 HA ILE A 42 16.603 1.143 -0.691 1.00 0.00 H new ATOM 0 HB ILE A 42 14.550 1.550 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 42 15.351 3.079 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 42 13.799 2.343 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.811 3.589 2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 42 16.795 2.126 2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 42 17.083 3.168 1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.709 4.794 -0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.463 3.918 1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 42 15.038 4.666 0.930 1.00 0.00 H new ATOM 709 N GLN A 43 16.528 -0.231 2.292 1.00 0.00 N ATOM 710 CA GLN A 43 17.413 -0.915 3.278 1.00 0.00 C ATOM 711 C GLN A 43 18.177 -2.055 2.599 1.00 0.00 C ATOM 712 O GLN A 43 19.277 -2.395 2.987 1.00 0.00 O ATOM 713 CB GLN A 43 16.466 -1.465 4.345 1.00 0.00 C ATOM 714 CG GLN A 43 17.182 -1.495 5.697 1.00 0.00 C ATOM 715 CD GLN A 43 16.183 -1.863 6.796 1.00 0.00 C ATOM 716 OE1 GLN A 43 14.990 -1.888 6.565 1.00 0.00 O ATOM 717 NE2 GLN A 43 16.623 -2.153 7.990 1.00 0.00 N ATOM 0 H GLN A 43 15.574 -0.062 2.610 1.00 0.00 H new ATOM 0 HA GLN A 43 18.158 -0.242 3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.573 -0.844 4.408 1.00 0.00 H new ATOM 0 HB3 GLN A 43 16.138 -2.468 4.073 1.00 0.00 H new ATOM 0 HG2 GLN A 43 17.996 -2.220 5.673 1.00 0.00 H new ATOM 0 HG3 GLN A 43 17.627 -0.522 5.906 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.624 -2.132 8.184 1.00 0.00 H new ATOM 0 HE22 GLN A 43 15.966 -2.401 8.730 1.00 0.00 H new ATOM 726 N LEU A 44 17.604 -2.648 1.586 1.00 0.00 N ATOM 727 CA LEU A 44 18.301 -3.764 0.885 1.00 0.00 C ATOM 728 C LEU A 44 19.374 -3.210 -0.056 1.00 0.00 C ATOM 729 O LEU A 44 20.383 -3.840 -0.304 1.00 0.00 O ATOM 730 CB LEU A 44 17.207 -4.478 0.091 1.00 0.00 C ATOM 731 CG LEU A 44 17.017 -5.893 0.640 1.00 0.00 C ATOM 732 CD1 LEU A 44 16.102 -6.685 -0.294 1.00 0.00 C ATOM 733 CD2 LEU A 44 18.377 -6.589 0.732 1.00 0.00 C ATOM 0 H LEU A 44 16.685 -2.408 1.214 1.00 0.00 H new ATOM 0 HA LEU A 44 18.805 -4.437 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 44 16.272 -3.922 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 44 17.477 -4.519 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 44 16.566 -5.841 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.967 -7.693 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.134 -6.189 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 44 16.552 -6.738 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 44 18.244 -7.598 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 44 18.827 -6.641 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 44 19.030 -6.025 1.398 1.00 0.00 H new ATOM 745 N MET A 45 19.163 -2.034 -0.583 1.00 0.00 N ATOM 746 CA MET A 45 20.170 -1.439 -1.508 1.00 0.00 C ATOM 747 C MET A 45 21.480 -1.174 -0.763 1.00 0.00 C ATOM 748 O MET A 45 22.537 -1.615 -1.169 1.00 0.00 O ATOM 749 CB MET A 45 19.544 -0.126 -1.979 1.00 0.00 C ATOM 750 CG MET A 45 19.858 0.087 -3.461 1.00 0.00 C ATOM 751 SD MET A 45 21.639 -0.092 -3.732 1.00 0.00 S ATOM 752 CE MET A 45 21.653 0.395 -5.475 1.00 0.00 C ATOM 0 H MET A 45 18.337 -1.460 -0.413 1.00 0.00 H new ATOM 0 HA MET A 45 20.409 -2.099 -2.342 1.00 0.00 H new ATOM 0 HB2 MET A 45 18.465 -0.149 -1.825 1.00 0.00 H new ATOM 0 HB3 MET A 45 19.932 0.706 -1.391 1.00 0.00 H new ATOM 0 HG2 MET A 45 19.313 -0.636 -4.067 1.00 0.00 H new ATOM 0 HG3 MET A 45 19.529 1.078 -3.775 1.00 0.00 H new ATOM 0 HE1 MET A 45 22.674 0.356 -5.856 1.00 0.00 H new ATOM 0 HE2 MET A 45 21.025 -0.287 -6.048 1.00 0.00 H new ATOM 0 HE3 MET A 45 21.268 1.410 -5.572 1.00 0.00 H new ATOM 762 N SER A 46 21.420 -0.457 0.326 1.00 0.00 N ATOM 763 CA SER A 46 22.663 -0.165 1.096 1.00 0.00 C ATOM 764 C SER A 46 23.383 -1.469 1.449 1.00 0.00 C ATOM 765 O SER A 46 24.553 -1.474 1.779 1.00 0.00 O ATOM 766 CB SER A 46 22.186 0.543 2.363 1.00 0.00 C ATOM 767 OG SER A 46 21.031 1.316 2.063 1.00 0.00 O ATOM 0 H SER A 46 20.565 -0.061 0.716 1.00 0.00 H new ATOM 0 HA SER A 46 23.367 0.444 0.529 1.00 0.00 H new ATOM 0 HB2 SER A 46 21.957 -0.189 3.138 1.00 0.00 H new ATOM 0 HB3 SER A 46 22.976 1.185 2.754 1.00 0.00 H new ATOM 0 HG SER A 46 20.722 1.770 2.874 1.00 0.00 H new ATOM 773 N LYS A 47 22.694 -2.575 1.382 1.00 0.00 N ATOM 774 CA LYS A 47 23.340 -3.878 1.714 1.00 0.00 C ATOM 775 C LYS A 47 24.013 -4.465 0.470 1.00 0.00 C ATOM 776 O LYS A 47 24.482 -5.587 0.477 1.00 0.00 O ATOM 777 CB LYS A 47 22.195 -4.779 2.180 1.00 0.00 C ATOM 778 CG LYS A 47 22.761 -5.955 2.978 1.00 0.00 C ATOM 779 CD LYS A 47 23.237 -5.462 4.346 1.00 0.00 C ATOM 780 CE LYS A 47 22.071 -4.800 5.084 1.00 0.00 C ATOM 781 NZ LYS A 47 21.980 -5.522 6.384 1.00 0.00 N ATOM 0 H LYS A 47 21.712 -2.634 1.112 1.00 0.00 H new ATOM 0 HA LYS A 47 24.113 -3.775 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.498 -4.210 2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.634 -5.146 1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.999 -6.724 3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 47 23.589 -6.411 2.436 1.00 0.00 H new ATOM 0 HD2 LYS A 47 23.624 -6.296 4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 47 24.055 -4.751 4.224 1.00 0.00 H new ATOM 0 HE2 LYS A 47 22.252 -3.736 5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 47 21.144 -4.888 4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 21.202 -5.125 6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 21.800 -6.531 6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 22.874 -5.415 6.904 1.00 0.00 H new ATOM 795 N ARG A 48 24.065 -3.717 -0.598 1.00 0.00 N ATOM 796 CA ARG A 48 24.707 -4.233 -1.840 1.00 0.00 C ATOM 797 C ARG A 48 25.557 -3.134 -2.487 1.00 0.00 C ATOM 798 O ARG A 48 26.075 -3.295 -3.574 1.00 0.00 O ATOM 799 CB ARG A 48 23.538 -4.632 -2.749 1.00 0.00 C ATOM 800 CG ARG A 48 23.991 -4.663 -4.213 1.00 0.00 C ATOM 801 CD ARG A 48 22.855 -5.201 -5.087 1.00 0.00 C ATOM 802 NE ARG A 48 23.525 -6.055 -6.105 1.00 0.00 N ATOM 803 CZ ARG A 48 23.977 -5.523 -7.208 1.00 0.00 C ATOM 804 NH1 ARG A 48 25.140 -4.932 -7.219 1.00 0.00 N ATOM 805 NH2 ARG A 48 23.265 -5.583 -8.300 1.00 0.00 N ATOM 0 H ARG A 48 23.691 -2.771 -0.664 1.00 0.00 H new ATOM 0 HA ARG A 48 25.375 -5.073 -1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 48 23.159 -5.612 -2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 48 22.717 -3.925 -2.630 1.00 0.00 H new ATOM 0 HG2 ARG A 48 24.272 -3.662 -4.539 1.00 0.00 H new ATOM 0 HG3 ARG A 48 24.875 -5.292 -4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 48 22.141 -5.776 -4.497 1.00 0.00 H new ATOM 0 HD3 ARG A 48 22.300 -4.389 -5.556 1.00 0.00 H new ATOM 0 HE ARG A 48 23.631 -7.056 -5.941 1.00 0.00 H new ATOM 0 HH11 ARG A 48 25.697 -4.886 -6.365 1.00 0.00 H new ATOM 0 HH12 ARG A 48 25.493 -4.516 -8.081 1.00 0.00 H new ATOM 0 HH21 ARG A 48 22.356 -6.045 -8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 48 23.618 -5.167 -9.162 1.00 0.00 H new ATOM 819 N SER A 49 25.706 -2.019 -1.825 1.00 0.00 N ATOM 820 CA SER A 49 26.522 -0.912 -2.402 1.00 0.00 C ATOM 821 C SER A 49 28.009 -1.143 -2.116 1.00 0.00 C ATOM 822 O SER A 49 28.828 -0.264 -2.294 1.00 0.00 O ATOM 823 CB SER A 49 26.030 0.351 -1.696 1.00 0.00 C ATOM 824 OG SER A 49 26.494 0.347 -0.352 1.00 0.00 O ATOM 0 H SER A 49 25.298 -1.826 -0.910 1.00 0.00 H new ATOM 0 HA SER A 49 26.416 -0.842 -3.485 1.00 0.00 H new ATOM 0 HB2 SER A 49 26.393 1.237 -2.216 1.00 0.00 H new ATOM 0 HB3 SER A 49 24.941 0.393 -1.717 1.00 0.00 H new ATOM 0 HG SER A 49 26.182 1.156 0.104 1.00 0.00 H new ATOM 830 N ARG A 50 28.364 -2.319 -1.674 1.00 0.00 N ATOM 831 CA ARG A 50 29.798 -2.604 -1.377 1.00 0.00 C ATOM 832 C ARG A 50 30.270 -1.760 -0.191 1.00 0.00 C ATOM 833 O ARG A 50 31.143 -0.925 -0.319 1.00 0.00 O ATOM 834 CB ARG A 50 30.551 -2.211 -2.649 1.00 0.00 C ATOM 835 CG ARG A 50 31.289 -3.432 -3.202 1.00 0.00 C ATOM 836 CD ARG A 50 30.633 -3.875 -4.512 1.00 0.00 C ATOM 837 NE ARG A 50 31.033 -5.299 -4.680 1.00 0.00 N ATOM 838 CZ ARG A 50 31.761 -5.657 -5.702 1.00 0.00 C ATOM 839 NH1 ARG A 50 31.637 -5.033 -6.842 1.00 0.00 N ATOM 840 NH2 ARG A 50 32.614 -6.638 -5.585 1.00 0.00 N ATOM 0 H ARG A 50 27.724 -3.095 -1.506 1.00 0.00 H new ATOM 0 HA ARG A 50 29.965 -3.647 -1.110 1.00 0.00 H new ATOM 0 HB2 ARG A 50 29.854 -1.826 -3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 50 31.260 -1.411 -2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 50 32.338 -3.190 -3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 50 31.263 -4.245 -2.477 1.00 0.00 H new ATOM 0 HD2 ARG A 50 29.549 -3.772 -4.465 1.00 0.00 H new ATOM 0 HD3 ARG A 50 30.975 -3.267 -5.350 1.00 0.00 H new ATOM 0 HE ARG A 50 30.738 -5.995 -3.996 1.00 0.00 H new ATOM 0 HH11 ARG A 50 30.971 -4.266 -6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 50 32.206 -5.313 -7.641 1.00 0.00 H new ATOM 0 HH21 ARG A 50 32.712 -7.125 -4.694 1.00 0.00 H new ATOM 0 HH22 ARG A 50 33.183 -6.917 -6.384 1.00 0.00 H new ATOM 854 N SER A 51 29.699 -1.971 0.964 1.00 0.00 N ATOM 855 CA SER A 51 30.117 -1.180 2.157 1.00 0.00 C ATOM 856 C SER A 51 31.596 -1.428 2.465 1.00 0.00 C ATOM 857 O SER A 51 32.412 -0.530 2.405 1.00 0.00 O ATOM 858 CB SER A 51 29.239 -1.692 3.298 1.00 0.00 C ATOM 859 OG SER A 51 29.954 -1.593 4.522 1.00 0.00 O ATOM 0 H SER A 51 28.962 -2.656 1.133 1.00 0.00 H new ATOM 0 HA SER A 51 30.001 -0.107 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 51 28.319 -1.110 3.353 1.00 0.00 H new ATOM 0 HB3 SER A 51 28.951 -2.727 3.114 1.00 0.00 H new ATOM 0 HG SER A 51 29.393 -1.919 5.256 1.00 0.00 H new ATOM 865 N LEU A 52 31.948 -2.641 2.796 1.00 0.00 N ATOM 866 CA LEU A 52 33.374 -2.945 3.107 1.00 0.00 C ATOM 867 C LEU A 52 34.270 -2.529 1.938 1.00 0.00 C ATOM 868 O LEU A 52 35.429 -2.209 2.114 1.00 0.00 O ATOM 869 CB LEU A 52 33.423 -4.459 3.309 1.00 0.00 C ATOM 870 CG LEU A 52 32.499 -4.851 4.463 1.00 0.00 C ATOM 871 CD1 LEU A 52 31.834 -6.193 4.153 1.00 0.00 C ATOM 872 CD2 LEU A 52 33.318 -4.974 5.750 1.00 0.00 C ATOM 0 H LEU A 52 31.310 -3.434 2.864 1.00 0.00 H new ATOM 0 HA LEU A 52 33.729 -2.406 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 52 33.117 -4.968 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 52 34.444 -4.775 3.523 1.00 0.00 H new ATOM 0 HG LEU A 52 31.732 -4.087 4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 52 31.176 -6.472 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 52 31.252 -6.107 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 52 32.600 -6.958 4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 52 32.661 -5.253 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 52 34.085 -5.738 5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 52 33.792 -4.018 5.972 1.00 0.00 H new ATOM 884 N ASN A 53 33.741 -2.523 0.745 1.00 0.00 N ATOM 885 CA ASN A 53 34.568 -2.119 -0.430 1.00 0.00 C ATOM 886 C ASN A 53 34.678 -0.594 -0.483 1.00 0.00 C ATOM 887 O ASN A 53 35.622 -0.047 -1.018 1.00 0.00 O ATOM 888 CB ASN A 53 33.823 -2.648 -1.663 1.00 0.00 C ATOM 889 CG ASN A 53 34.691 -2.445 -2.906 1.00 0.00 C ATOM 890 OD1 ASN A 53 35.592 -3.218 -3.165 1.00 0.00 O ATOM 891 ND2 ASN A 53 34.457 -1.430 -3.692 1.00 0.00 N ATOM 0 H ASN A 53 32.777 -2.779 0.532 1.00 0.00 H new ATOM 0 HA ASN A 53 35.581 -2.518 -0.377 1.00 0.00 H new ATOM 0 HB2 ASN A 53 33.592 -3.706 -1.536 1.00 0.00 H new ATOM 0 HB3 ASN A 53 32.873 -2.126 -1.780 1.00 0.00 H new ATOM 0 HD21 ASN A 53 35.030 -1.286 -4.523 1.00 0.00 H new ATOM 0 HD22 ASN A 53 33.701 -0.781 -3.475 1.00 0.00 H new ATOM 898 N SER A 54 33.723 0.097 0.078 1.00 0.00 N ATOM 899 CA SER A 54 33.778 1.585 0.069 1.00 0.00 C ATOM 900 C SER A 54 34.785 2.070 1.114 1.00 0.00 C ATOM 901 O SER A 54 35.479 3.048 0.916 1.00 0.00 O ATOM 902 CB SER A 54 32.364 2.037 0.434 1.00 0.00 C ATOM 903 OG SER A 54 32.245 3.435 0.206 1.00 0.00 O ATOM 0 H SER A 54 32.908 -0.305 0.542 1.00 0.00 H new ATOM 0 HA SER A 54 34.093 1.986 -0.894 1.00 0.00 H new ATOM 0 HB2 SER A 54 31.631 1.496 -0.164 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.155 1.808 1.479 1.00 0.00 H new ATOM 0 HG SER A 54 31.339 3.728 0.438 1.00 0.00 H new ATOM 909 N ALA A 55 34.873 1.388 2.223 1.00 0.00 N ATOM 910 CA ALA A 55 35.839 1.804 3.279 1.00 0.00 C ATOM 911 C ALA A 55 37.256 1.378 2.889 1.00 0.00 C ATOM 912 O ALA A 55 38.212 2.097 3.103 1.00 0.00 O ATOM 913 CB ALA A 55 35.386 1.071 4.542 1.00 0.00 C ATOM 0 H ALA A 55 34.318 0.561 2.443 1.00 0.00 H new ATOM 0 HA ALA A 55 35.858 2.884 3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 55 36.050 1.326 5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 55 34.367 1.369 4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 55 35.418 -0.005 4.370 1.00 0.00 H new ATOM 919 N ALA A 56 37.399 0.215 2.314 1.00 0.00 N ATOM 920 CA ALA A 56 38.756 -0.253 1.908 1.00 0.00 C ATOM 921 C ALA A 56 39.292 0.617 0.768 1.00 0.00 C ATOM 922 O ALA A 56 40.445 0.998 0.755 1.00 0.00 O ATOM 923 CB ALA A 56 38.554 -1.693 1.436 1.00 0.00 C ATOM 0 H ALA A 56 36.637 -0.431 2.108 1.00 0.00 H new ATOM 0 HA ALA A 56 39.477 -0.191 2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 56 39.510 -2.110 1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 56 38.151 -2.291 2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 56 37.857 -1.707 0.598 1.00 0.00 H new ATOM 929 N PHE A 57 38.462 0.934 -0.187 1.00 0.00 N ATOM 930 CA PHE A 57 38.923 1.781 -1.324 1.00 0.00 C ATOM 931 C PHE A 57 39.013 3.245 -0.887 1.00 0.00 C ATOM 932 O PHE A 57 39.765 4.024 -1.439 1.00 0.00 O ATOM 933 CB PHE A 57 37.856 1.609 -2.405 1.00 0.00 C ATOM 934 CG PHE A 57 38.046 2.658 -3.474 1.00 0.00 C ATOM 935 CD1 PHE A 57 37.419 3.904 -3.351 1.00 0.00 C ATOM 936 CD2 PHE A 57 38.850 2.386 -4.587 1.00 0.00 C ATOM 937 CE1 PHE A 57 37.596 4.877 -4.342 1.00 0.00 C ATOM 938 CE2 PHE A 57 39.027 3.359 -5.578 1.00 0.00 C ATOM 939 CZ PHE A 57 38.400 4.605 -5.455 1.00 0.00 C ATOM 0 H PHE A 57 37.485 0.644 -0.230 1.00 0.00 H new ATOM 0 HA PHE A 57 39.912 1.493 -1.680 1.00 0.00 H new ATOM 0 HB2 PHE A 57 37.924 0.613 -2.842 1.00 0.00 H new ATOM 0 HB3 PHE A 57 36.862 1.698 -1.967 1.00 0.00 H new ATOM 0 HD1 PHE A 57 36.799 4.114 -2.492 1.00 0.00 H new ATOM 0 HD2 PHE A 57 39.334 1.425 -4.681 1.00 0.00 H new ATOM 0 HE1 PHE A 57 37.112 5.838 -4.248 1.00 0.00 H new ATOM 0 HE2 PHE A 57 39.647 3.149 -6.437 1.00 0.00 H new ATOM 0 HZ PHE A 57 38.537 5.356 -6.219 1.00 0.00 H new ATOM 949 N TYR A 58 38.252 3.626 0.103 1.00 0.00 N ATOM 950 CA TYR A 58 38.295 5.039 0.576 1.00 0.00 C ATOM 951 C TYR A 58 39.389 5.209 1.635 1.00 0.00 C ATOM 952 O TYR A 58 39.754 6.312 1.991 1.00 0.00 O ATOM 953 CB TYR A 58 36.916 5.295 1.185 1.00 0.00 C ATOM 954 CG TYR A 58 36.929 6.611 1.925 1.00 0.00 C ATOM 955 CD1 TYR A 58 37.310 6.653 3.271 1.00 0.00 C ATOM 956 CD2 TYR A 58 36.559 7.789 1.265 1.00 0.00 C ATOM 957 CE1 TYR A 58 37.322 7.874 3.958 1.00 0.00 C ATOM 958 CE2 TYR A 58 36.571 9.009 1.951 1.00 0.00 C ATOM 959 CZ TYR A 58 36.952 9.052 3.297 1.00 0.00 C ATOM 960 OH TYR A 58 36.964 10.254 3.974 1.00 0.00 O ATOM 0 H TYR A 58 37.603 3.020 0.604 1.00 0.00 H new ATOM 0 HA TYR A 58 38.521 5.738 -0.230 1.00 0.00 H new ATOM 0 HB2 TYR A 58 36.158 5.314 0.402 1.00 0.00 H new ATOM 0 HB3 TYR A 58 36.651 4.486 1.865 1.00 0.00 H new ATOM 0 HD1 TYR A 58 37.595 5.744 3.780 1.00 0.00 H new ATOM 0 HD2 TYR A 58 36.264 7.756 0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 58 37.616 7.907 4.997 1.00 0.00 H new ATOM 0 HE2 TYR A 58 36.286 9.918 1.441 1.00 0.00 H new ATOM 0 HH TYR A 58 36.682 10.972 3.370 1.00 0.00 H new ATOM 970 N TYR A 59 39.914 4.126 2.139 1.00 0.00 N ATOM 971 CA TYR A 59 40.985 4.230 3.175 1.00 0.00 C ATOM 972 C TYR A 59 42.303 3.662 2.635 1.00 0.00 C ATOM 973 O TYR A 59 43.252 3.466 3.368 1.00 0.00 O ATOM 974 CB TYR A 59 40.478 3.397 4.355 1.00 0.00 C ATOM 975 CG TYR A 59 41.617 3.124 5.309 1.00 0.00 C ATOM 976 CD1 TYR A 59 41.962 4.075 6.277 1.00 0.00 C ATOM 977 CD2 TYR A 59 42.327 1.921 5.226 1.00 0.00 C ATOM 978 CE1 TYR A 59 43.017 3.822 7.162 1.00 0.00 C ATOM 979 CE2 TYR A 59 43.382 1.668 6.110 1.00 0.00 C ATOM 980 CZ TYR A 59 43.728 2.619 7.078 1.00 0.00 C ATOM 981 OH TYR A 59 44.768 2.370 7.950 1.00 0.00 O ATOM 0 H TYR A 59 39.650 3.175 1.880 1.00 0.00 H new ATOM 0 HA TYR A 59 41.183 5.262 3.463 1.00 0.00 H new ATOM 0 HB2 TYR A 59 39.678 3.928 4.871 1.00 0.00 H new ATOM 0 HB3 TYR A 59 40.058 2.457 3.996 1.00 0.00 H new ATOM 0 HD1 TYR A 59 41.414 5.004 6.341 1.00 0.00 H new ATOM 0 HD2 TYR A 59 42.061 1.187 4.479 1.00 0.00 H new ATOM 0 HE1 TYR A 59 43.282 4.555 7.910 1.00 0.00 H new ATOM 0 HE2 TYR A 59 43.929 0.739 6.046 1.00 0.00 H new ATOM 0 HH TYR A 59 45.154 1.490 7.756 1.00 0.00 H new ATOM 991 N ARG A 60 42.371 3.397 1.359 1.00 0.00 N ATOM 992 CA ARG A 60 43.627 2.845 0.778 1.00 0.00 C ATOM 993 C ARG A 60 44.571 3.985 0.380 1.00 0.00 C ATOM 994 O ARG A 60 44.146 5.001 -0.134 1.00 0.00 O ATOM 995 CB ARG A 60 43.176 2.064 -0.456 1.00 0.00 C ATOM 996 CG ARG A 60 42.338 2.972 -1.359 1.00 0.00 C ATOM 997 CD ARG A 60 42.925 2.969 -2.772 1.00 0.00 C ATOM 998 NE ARG A 60 42.746 1.572 -3.259 1.00 0.00 N ATOM 999 CZ ARG A 60 43.604 1.058 -4.096 1.00 0.00 C ATOM 1000 NH1 ARG A 60 43.717 1.550 -5.300 1.00 0.00 N ATOM 1001 NH2 ARG A 60 44.351 0.052 -3.730 1.00 0.00 N ATOM 0 H ARG A 60 41.611 3.539 0.694 1.00 0.00 H new ATOM 0 HA ARG A 60 44.171 2.217 1.483 1.00 0.00 H new ATOM 0 HB2 ARG A 60 44.044 1.693 -1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 60 42.592 1.194 -0.155 1.00 0.00 H new ATOM 0 HG2 ARG A 60 41.305 2.626 -1.382 1.00 0.00 H new ATOM 0 HG3 ARG A 60 42.325 3.987 -0.961 1.00 0.00 H new ATOM 0 HD2 ARG A 60 42.409 3.681 -3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 60 43.977 3.252 -2.763 1.00 0.00 H new ATOM 0 HE ARG A 60 41.952 1.018 -2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 60 43.134 2.337 -5.586 1.00 0.00 H new ATOM 0 HH12 ARG A 60 44.388 1.148 -5.954 1.00 0.00 H new ATOM 0 HH21 ARG A 60 44.264 -0.332 -2.789 1.00 0.00 H new ATOM 0 HH22 ARG A 60 45.022 -0.350 -4.385 1.00 0.00 H new ATOM 1015 N VAL A 61 45.848 3.829 0.611 1.00 0.00 N ATOM 1016 CA VAL A 61 46.808 4.909 0.242 1.00 0.00 C ATOM 1017 C VAL A 61 48.238 4.356 0.239 1.00 0.00 C ATOM 1018 O VAL A 61 49.088 4.969 -0.386 1.00 0.00 O ATOM 1019 CB VAL A 61 46.623 5.982 1.328 1.00 0.00 C ATOM 1020 CG1 VAL A 61 47.917 6.786 1.526 1.00 0.00 C ATOM 1021 CG2 VAL A 61 45.500 6.933 0.909 1.00 0.00 C ATOM 1022 OXT VAL A 61 48.457 3.331 0.862 1.00 0.00 O ATOM 0 H VAL A 61 46.266 3.003 1.038 1.00 0.00 H new ATOM 0 HA VAL A 61 46.631 5.314 -0.754 1.00 0.00 H new ATOM 0 HB VAL A 61 46.371 5.489 2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 61 47.763 7.539 2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 61 48.720 6.114 1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 61 48.188 7.276 0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 61 45.364 7.696 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 61 45.761 7.410 -0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 61 44.574 6.371 0.788 1.00 0.00 H new TER 1032 VAL A 61