USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 835 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 GLN : amide:sc= 1.04 K(o=1,f=-1.2) USER MOD Set 1.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 162:sc= 0.164 (180deg=-0.321) USER MOD Single : A 3 THR OG1 : rot 60:sc= 1.08 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 11 GLN : amide:sc= -1.74 K(o=-1.7,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 147:sc= 0.0974! (180deg=-0.677!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -2.69! C(o=-2.7!,f=-2.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00114 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc=-0.00141 X(o=-0.0014,f=-0.17) USER MOD Single : A 62 HIS : no HD1:sc= -2.28 K(o=-2.3,f=-6.1!) USER MOD Single : A 63 CYS SG : rot 116:sc= -0.314 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.012) USER MOD Single : A 72 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 75 LYS NZ :NH3+ -159:sc= 0.0382 (180deg=0.00196) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.335 -8.631 -0.702 1.00 0.00 N ATOM 2 CA ALA A 1 12.593 -7.445 -1.153 1.00 0.00 C ATOM 3 C ALA A 1 11.655 -7.848 -2.297 1.00 0.00 C ATOM 4 O ALA A 1 11.390 -9.037 -2.472 1.00 0.00 O ATOM 5 CB ALA A 1 13.556 -6.303 -1.520 1.00 0.00 C ATOM 0 H1 ALA A 1 14.170 -8.332 -0.159 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.721 -9.216 -0.100 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.639 -9.185 -1.528 1.00 0.00 H new ATOM 0 HA ALA A 1 11.974 -7.055 -0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 1 12.983 -5.436 -1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.150 -6.034 -0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.218 -6.629 -2.323 1.00 0.00 H new ATOM 11 N LEU A 2 11.168 -6.861 -3.067 1.00 0.00 N ATOM 12 CA LEU A 2 10.265 -6.913 -4.227 1.00 0.00 C ATOM 13 C LEU A 2 9.705 -8.312 -4.492 1.00 0.00 C ATOM 14 O LEU A 2 10.305 -9.075 -5.251 1.00 0.00 O ATOM 15 CB LEU A 2 10.977 -6.364 -5.478 1.00 0.00 C ATOM 16 CG LEU A 2 11.524 -4.934 -5.340 1.00 0.00 C ATOM 17 CD1 LEU A 2 12.074 -4.471 -6.687 1.00 0.00 C ATOM 18 CD2 LEU A 2 10.448 -3.974 -4.822 1.00 0.00 C ATOM 0 H LEU A 2 11.429 -5.895 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 2 9.408 -6.282 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.803 -7.030 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.280 -6.391 -6.315 1.00 0.00 H new ATOM 0 HG LEU A 2 12.331 -4.933 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.463 -3.457 -6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.876 -5.139 -7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.277 -4.486 -7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.866 -2.971 -4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.609 -3.958 -5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.102 -4.309 -3.844 1.00 0.00 H new ATOM 30 N THR A 3 8.536 -8.618 -3.921 1.00 0.00 N ATOM 31 CA THR A 3 7.911 -9.934 -4.059 1.00 0.00 C ATOM 32 C THR A 3 6.551 -10.014 -4.774 1.00 0.00 C ATOM 33 O THR A 3 6.041 -11.120 -4.888 1.00 0.00 O ATOM 34 CB THR A 3 8.021 -10.607 -2.667 1.00 0.00 C ATOM 35 OG1 THR A 3 9.378 -10.936 -2.437 1.00 0.00 O ATOM 36 CG2 THR A 3 7.237 -11.901 -2.425 1.00 0.00 C ATOM 0 H THR A 3 7.999 -7.963 -3.353 1.00 0.00 H new ATOM 0 HA THR A 3 8.455 -10.516 -4.803 1.00 0.00 H new ATOM 0 HB THR A 3 7.586 -9.864 -1.999 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.921 -10.121 -2.463 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.415 -12.250 -1.408 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.172 -11.713 -2.563 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.565 -12.663 -3.132 1.00 0.00 H new ATOM 44 N THR A 4 5.961 -8.910 -5.254 1.00 0.00 N ATOM 45 CA THR A 4 4.659 -8.870 -5.969 1.00 0.00 C ATOM 46 C THR A 4 3.696 -9.982 -5.498 1.00 0.00 C ATOM 47 O THR A 4 3.502 -10.997 -6.171 1.00 0.00 O ATOM 48 CB THR A 4 4.875 -8.860 -7.502 1.00 0.00 C ATOM 49 OG1 THR A 4 6.059 -9.535 -7.892 1.00 0.00 O ATOM 50 CG2 THR A 4 4.984 -7.429 -8.036 1.00 0.00 C ATOM 0 H THR A 4 6.383 -7.986 -5.157 1.00 0.00 H new ATOM 0 HA THR A 4 4.163 -7.934 -5.711 1.00 0.00 H new ATOM 0 HB THR A 4 4.007 -9.372 -7.917 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.148 -9.502 -8.867 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.135 -7.454 -9.115 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.066 -6.886 -7.811 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.828 -6.927 -7.563 1.00 0.00 H new ATOM 58 N ILE A 5 3.181 -9.841 -4.280 1.00 0.00 N ATOM 59 CA ILE A 5 2.277 -10.803 -3.668 1.00 0.00 C ATOM 60 C ILE A 5 0.868 -10.609 -4.209 1.00 0.00 C ATOM 61 O ILE A 5 0.448 -9.488 -4.522 1.00 0.00 O ATOM 62 CB ILE A 5 2.377 -10.701 -2.134 1.00 0.00 C ATOM 63 CG1 ILE A 5 1.564 -11.762 -1.373 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.087 -9.282 -1.598 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.247 -12.050 -0.032 1.00 0.00 C ATOM 0 H ILE A 5 3.385 -9.040 -3.682 1.00 0.00 H new ATOM 0 HA ILE A 5 2.563 -11.822 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 5 3.425 -10.919 -1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.546 -11.409 -1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.493 -12.676 -1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.174 -9.279 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.805 -8.579 -2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.077 -8.985 -1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.676 -12.802 0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.257 -12.420 -0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.295 -11.134 0.556 1.00 0.00 H new ATOM 77 N SER A 6 0.174 -11.728 -4.339 1.00 0.00 N ATOM 78 CA SER A 6 -1.185 -11.818 -4.820 1.00 0.00 C ATOM 79 C SER A 6 -2.166 -11.376 -3.728 1.00 0.00 C ATOM 80 O SER A 6 -1.803 -11.308 -2.545 1.00 0.00 O ATOM 81 CB SER A 6 -1.404 -13.292 -5.188 1.00 0.00 C ATOM 82 OG SER A 6 -0.526 -13.637 -6.246 1.00 0.00 O ATOM 0 H SER A 6 0.566 -12.638 -4.099 1.00 0.00 H new ATOM 0 HA SER A 6 -1.354 -11.168 -5.679 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.219 -13.928 -4.322 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.439 -13.456 -5.489 1.00 0.00 H new ATOM 0 HG SER A 6 -0.658 -14.578 -6.487 1.00 0.00 H new ATOM 88 N PRO A 7 -3.419 -11.056 -4.094 1.00 0.00 N ATOM 89 CA PRO A 7 -4.419 -10.671 -3.115 1.00 0.00 C ATOM 90 C PRO A 7 -4.792 -11.897 -2.272 1.00 0.00 C ATOM 91 O PRO A 7 -4.329 -13.008 -2.535 1.00 0.00 O ATOM 92 CB PRO A 7 -5.572 -10.096 -3.923 1.00 0.00 C ATOM 93 CG PRO A 7 -5.477 -10.824 -5.263 1.00 0.00 C ATOM 94 CD PRO A 7 -3.982 -11.072 -5.436 1.00 0.00 C ATOM 0 HA PRO A 7 -4.078 -9.923 -2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.531 -10.277 -3.437 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.475 -9.017 -4.046 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.039 -11.758 -5.252 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.879 -10.220 -6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.798 -12.028 -5.926 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.528 -10.302 -6.060 1.00 0.00 H new ATOM 102 N HIS A 8 -5.623 -11.690 -1.249 1.00 0.00 N ATOM 103 CA HIS A 8 -6.097 -12.679 -0.283 1.00 0.00 C ATOM 104 C HIS A 8 -4.945 -12.971 0.688 1.00 0.00 C ATOM 105 O HIS A 8 -5.124 -12.834 1.899 1.00 0.00 O ATOM 106 CB HIS A 8 -6.691 -13.929 -0.958 1.00 0.00 C ATOM 107 CG HIS A 8 -7.828 -14.588 -0.209 1.00 0.00 C ATOM 108 ND1 HIS A 8 -7.999 -14.692 1.159 1.00 0.00 N ATOM 109 CD2 HIS A 8 -8.906 -15.188 -0.804 1.00 0.00 C ATOM 110 CE1 HIS A 8 -9.168 -15.327 1.370 1.00 0.00 C ATOM 111 NE2 HIS A 8 -9.747 -15.668 0.205 1.00 0.00 N ATOM 0 H HIS A 8 -6.008 -10.764 -1.062 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.938 -12.282 0.286 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.044 -13.652 -1.951 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.895 -14.661 -1.095 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -9.077 -15.275 -1.867 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.585 -15.535 2.345 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -10.624 -16.175 0.082 1.00 0.00 H new ATOM 119 N ASP A 9 -3.743 -13.270 0.186 1.00 0.00 N ATOM 120 CA ASP A 9 -2.550 -13.547 0.985 1.00 0.00 C ATOM 121 C ASP A 9 -2.189 -12.286 1.744 1.00 0.00 C ATOM 122 O ASP A 9 -1.952 -12.328 2.946 1.00 0.00 O ATOM 123 CB ASP A 9 -1.357 -13.992 0.120 1.00 0.00 C ATOM 124 CG ASP A 9 -1.433 -15.487 -0.160 1.00 0.00 C ATOM 125 OD1 ASP A 9 -2.517 -15.983 -0.526 1.00 0.00 O ATOM 126 OD2 ASP A 9 -0.411 -16.189 0.013 1.00 0.00 O ATOM 0 H ASP A 9 -3.570 -13.327 -0.818 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.771 -14.368 1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.355 -13.439 -0.819 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.422 -13.758 0.630 1.00 0.00 H new ATOM 131 N ALA A 10 -2.212 -11.130 1.075 1.00 0.00 N ATOM 132 CA ALA A 10 -1.887 -9.898 1.767 1.00 0.00 C ATOM 133 C ALA A 10 -2.889 -9.586 2.872 1.00 0.00 C ATOM 134 O ALA A 10 -2.493 -8.956 3.843 1.00 0.00 O ATOM 135 CB ALA A 10 -1.699 -8.744 0.792 1.00 0.00 C ATOM 0 H ALA A 10 -2.445 -11.029 0.087 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.927 -10.041 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.457 -7.836 1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.887 -8.978 0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.619 -8.590 0.228 1.00 0.00 H new ATOM 141 N GLN A 11 -4.165 -9.976 2.771 1.00 0.00 N ATOM 142 CA GLN A 11 -5.139 -9.724 3.825 1.00 0.00 C ATOM 143 C GLN A 11 -4.742 -10.531 5.077 1.00 0.00 C ATOM 144 O GLN A 11 -5.141 -10.189 6.188 1.00 0.00 O ATOM 145 CB GLN A 11 -6.518 -10.153 3.292 1.00 0.00 C ATOM 146 CG GLN A 11 -7.683 -9.897 4.255 1.00 0.00 C ATOM 147 CD GLN A 11 -8.544 -11.138 4.432 1.00 0.00 C ATOM 148 OE1 GLN A 11 -8.137 -12.096 5.084 1.00 0.00 O ATOM 149 NE2 GLN A 11 -9.720 -11.172 3.837 1.00 0.00 N ATOM 0 H GLN A 11 -4.543 -10.470 1.963 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.172 -8.671 4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.713 -9.624 2.359 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.487 -11.217 3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.293 -9.582 5.223 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.296 -9.079 3.877 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.043 -10.368 3.299 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.307 -12.003 3.914 1.00 0.00 H new ATOM 158 N GLU A 12 -3.976 -11.611 4.903 1.00 0.00 N ATOM 159 CA GLU A 12 -3.528 -12.480 5.961 1.00 0.00 C ATOM 160 C GLU A 12 -2.425 -11.776 6.724 1.00 0.00 C ATOM 161 O GLU A 12 -2.640 -11.462 7.886 1.00 0.00 O ATOM 162 CB GLU A 12 -3.123 -13.819 5.315 1.00 0.00 C ATOM 163 CG GLU A 12 -3.183 -15.035 6.227 1.00 0.00 C ATOM 164 CD GLU A 12 -1.986 -15.134 7.169 1.00 0.00 C ATOM 165 OE1 GLU A 12 -0.858 -15.381 6.684 1.00 0.00 O ATOM 166 OE2 GLU A 12 -2.188 -14.971 8.396 1.00 0.00 O ATOM 0 H GLU A 12 -3.646 -11.903 3.983 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.299 -12.706 6.698 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.771 -13.998 4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.107 -13.724 4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.099 -14.996 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.234 -15.937 5.617 1.00 0.00 H new ATOM 173 N LEU A 13 -1.290 -11.476 6.094 1.00 0.00 N ATOM 174 CA LEU A 13 -0.152 -10.822 6.736 1.00 0.00 C ATOM 175 C LEU A 13 -0.454 -9.419 7.274 1.00 0.00 C ATOM 176 O LEU A 13 0.106 -9.018 8.298 1.00 0.00 O ATOM 177 CB LEU A 13 1.056 -10.868 5.792 1.00 0.00 C ATOM 178 CG LEU A 13 0.795 -10.320 4.378 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.385 -8.937 4.149 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.302 -11.292 3.316 1.00 0.00 C ATOM 0 H LEU A 13 -1.133 -11.684 5.108 1.00 0.00 H new ATOM 0 HA LEU A 13 0.089 -11.383 7.639 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.871 -10.301 6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.394 -11.901 5.709 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.287 -10.218 4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.164 -8.611 3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.949 -8.234 4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.465 -8.974 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.106 -10.883 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.374 -11.441 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.788 -12.247 3.422 1.00 0.00 H new ATOM 192 N ILE A 14 -1.350 -8.659 6.646 1.00 0.00 N ATOM 193 CA ILE A 14 -1.689 -7.323 7.141 1.00 0.00 C ATOM 194 C ILE A 14 -2.448 -7.453 8.468 1.00 0.00 C ATOM 195 O ILE A 14 -2.270 -6.628 9.363 1.00 0.00 O ATOM 196 CB ILE A 14 -2.438 -6.541 6.044 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.499 -5.512 5.379 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.768 -5.964 6.514 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.801 -5.349 3.891 1.00 0.00 C ATOM 0 H ILE A 14 -1.850 -8.940 5.803 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.795 -6.739 7.361 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.730 -7.249 5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.603 -4.549 5.879 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.464 -5.828 5.508 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.242 -5.426 5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.420 -6.773 6.842 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.594 -5.279 7.344 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.119 -4.616 3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.672 -6.307 3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.828 -5.007 3.764 1.00 0.00 H new ATOM 211 N ALA A 15 -3.284 -8.486 8.632 1.00 0.00 N ATOM 212 CA ALA A 15 -4.033 -8.716 9.866 1.00 0.00 C ATOM 213 C ALA A 15 -3.107 -9.254 10.972 1.00 0.00 C ATOM 214 O ALA A 15 -3.576 -9.610 12.059 1.00 0.00 O ATOM 215 CB ALA A 15 -5.191 -9.682 9.588 1.00 0.00 C ATOM 0 H ALA A 15 -3.458 -9.185 7.910 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.445 -7.771 10.219 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.750 -9.854 10.508 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.852 -9.251 8.837 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.795 -10.629 9.222 1.00 0.00 H new ATOM 221 N ARG A 16 -1.797 -9.317 10.714 1.00 0.00 N ATOM 222 CA ARG A 16 -0.773 -9.817 11.620 1.00 0.00 C ATOM 223 C ARG A 16 0.250 -8.763 11.992 1.00 0.00 C ATOM 224 O ARG A 16 0.827 -8.883 13.071 1.00 0.00 O ATOM 225 CB ARG A 16 -0.045 -10.980 10.963 1.00 0.00 C ATOM 226 CG ARG A 16 -1.020 -12.051 10.489 1.00 0.00 C ATOM 227 CD ARG A 16 -1.503 -12.952 11.616 1.00 0.00 C ATOM 228 NE ARG A 16 -1.752 -14.273 11.051 1.00 0.00 N ATOM 229 CZ ARG A 16 -1.209 -15.405 11.470 1.00 0.00 C ATOM 230 NH1 ARG A 16 -0.866 -15.551 12.744 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.019 -16.344 10.557 1.00 0.00 N ATOM 0 H ARG A 16 -1.409 -9.004 9.824 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.281 -10.127 12.533 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.537 -10.615 10.116 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.661 -11.416 11.670 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.879 -11.571 10.020 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.539 -12.660 9.724 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.755 -13.009 12.407 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.412 -12.550 12.064 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.400 -14.330 10.266 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.021 -14.789 13.404 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.448 -16.425 13.063 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.288 -16.175 9.588 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.604 -17.237 10.823 1.00 0.00 H new ATOM 245 N GLY A 17 0.506 -7.773 11.136 1.00 0.00 N ATOM 246 CA GLY A 17 1.472 -6.734 11.446 1.00 0.00 C ATOM 247 C GLY A 17 2.127 -6.072 10.243 1.00 0.00 C ATOM 248 O GLY A 17 2.733 -5.013 10.429 1.00 0.00 O ATOM 0 H GLY A 17 0.056 -7.674 10.226 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.975 -5.965 12.037 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.253 -7.163 12.073 1.00 0.00 H new ATOM 252 N ALA A 18 2.044 -6.656 9.041 1.00 0.00 N ATOM 253 CA ALA A 18 2.643 -6.051 7.854 1.00 0.00 C ATOM 254 C ALA A 18 1.948 -4.717 7.578 1.00 0.00 C ATOM 255 O ALA A 18 0.735 -4.604 7.758 1.00 0.00 O ATOM 256 CB ALA A 18 2.481 -6.975 6.653 1.00 0.00 C ATOM 0 H ALA A 18 1.569 -7.542 8.869 1.00 0.00 H new ATOM 0 HA ALA A 18 3.707 -5.889 8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.932 -6.513 5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.974 -7.925 6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.421 -7.149 6.468 1.00 0.00 H new ATOM 262 N LYS A 19 2.704 -3.706 7.154 1.00 0.00 N ATOM 263 CA LYS A 19 2.182 -2.370 6.862 1.00 0.00 C ATOM 264 C LYS A 19 2.186 -2.122 5.359 1.00 0.00 C ATOM 265 O LYS A 19 2.939 -2.783 4.649 1.00 0.00 O ATOM 266 CB LYS A 19 3.083 -1.336 7.556 1.00 0.00 C ATOM 267 CG LYS A 19 3.152 -1.456 9.090 1.00 0.00 C ATOM 268 CD LYS A 19 1.801 -1.208 9.778 1.00 0.00 C ATOM 269 CE LYS A 19 1.143 -2.516 10.206 1.00 0.00 C ATOM 270 NZ LYS A 19 -0.268 -2.320 10.551 1.00 0.00 N ATOM 0 H LYS A 19 3.709 -3.791 7.001 1.00 0.00 H new ATOM 0 HA LYS A 19 1.158 -2.286 7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.092 -1.428 7.154 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.728 -0.338 7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.510 -2.451 9.354 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.883 -0.743 9.471 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.947 -0.571 10.650 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.139 -0.672 9.099 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.224 -3.246 9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.674 -2.928 11.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.809 -3.171 10.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.355 -2.146 11.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.643 -1.503 10.028 1.00 0.00 H new ATOM 284 N LEU A 20 1.419 -1.148 4.877 1.00 0.00 N ATOM 285 CA LEU A 20 1.337 -0.775 3.466 1.00 0.00 C ATOM 286 C LEU A 20 1.524 0.738 3.386 1.00 0.00 C ATOM 287 O LEU A 20 1.140 1.452 4.314 1.00 0.00 O ATOM 288 CB LEU A 20 0.001 -1.269 2.885 1.00 0.00 C ATOM 289 CG LEU A 20 -0.147 -1.221 1.354 1.00 0.00 C ATOM 290 CD1 LEU A 20 -1.215 -2.243 0.942 1.00 0.00 C ATOM 291 CD2 LEU A 20 -0.522 0.164 0.809 1.00 0.00 C ATOM 0 H LEU A 20 0.819 -0.579 5.474 1.00 0.00 H new ATOM 0 HA LEU A 20 2.115 -1.243 2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.151 -2.298 3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.801 -0.675 3.323 1.00 0.00 H new ATOM 0 HG LEU A 20 0.827 -1.458 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.336 -2.226 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.905 -3.240 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.163 -1.990 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.608 0.117 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.475 0.477 1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.250 0.883 1.081 1.00 0.00 H new ATOM 303 N ILE A 21 2.098 1.239 2.294 1.00 0.00 N ATOM 304 CA ILE A 21 2.347 2.658 2.080 1.00 0.00 C ATOM 305 C ILE A 21 1.644 3.066 0.796 1.00 0.00 C ATOM 306 O ILE A 21 1.847 2.469 -0.269 1.00 0.00 O ATOM 307 CB ILE A 21 3.856 2.960 2.025 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.707 2.212 3.069 1.00 0.00 C ATOM 309 CG2 ILE A 21 4.088 4.475 2.129 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.443 2.570 4.534 1.00 0.00 C ATOM 0 H ILE A 21 2.409 0.655 1.518 1.00 0.00 H new ATOM 0 HA ILE A 21 1.953 3.238 2.915 1.00 0.00 H new ATOM 0 HB ILE A 21 4.197 2.584 1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.543 1.142 2.942 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.759 2.401 2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.157 4.683 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.590 4.977 1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.682 4.841 3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.099 1.982 5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.638 3.631 4.690 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.404 2.352 4.780 1.00 0.00 H new ATOM 322 N ASP A 22 0.807 4.089 0.922 1.00 0.00 N ATOM 323 CA ASP A 22 0.025 4.643 -0.160 1.00 0.00 C ATOM 324 C ASP A 22 0.858 5.665 -0.924 1.00 0.00 C ATOM 325 O ASP A 22 0.772 6.859 -0.625 1.00 0.00 O ATOM 326 CB ASP A 22 -1.209 5.359 0.387 1.00 0.00 C ATOM 327 CG ASP A 22 -2.263 4.519 1.082 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.006 5.120 1.885 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.424 3.328 0.731 1.00 0.00 O ATOM 0 H ASP A 22 0.654 4.566 1.811 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.278 3.826 -0.814 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.871 6.121 1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.689 5.880 -0.441 1.00 0.00 H new ATOM 334 N ILE A 23 1.645 5.247 -1.919 1.00 0.00 N ATOM 335 CA ILE A 23 2.459 6.197 -2.692 1.00 0.00 C ATOM 336 C ILE A 23 1.633 6.756 -3.871 1.00 0.00 C ATOM 337 O ILE A 23 2.139 6.962 -4.969 1.00 0.00 O ATOM 338 CB ILE A 23 3.848 5.591 -3.043 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.872 4.347 -3.970 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.552 5.177 -1.734 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.128 4.666 -5.443 1.00 0.00 C ATOM 0 H ILE A 23 1.738 4.273 -2.207 1.00 0.00 H new ATOM 0 HA ILE A 23 2.712 7.070 -2.091 1.00 0.00 H new ATOM 0 HB ILE A 23 4.341 6.387 -3.601 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.644 3.662 -3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.919 3.825 -3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.528 4.750 -1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.680 6.052 -1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.946 4.436 -1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.129 3.742 -6.021 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.343 5.325 -5.814 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.095 5.159 -5.546 1.00 0.00 H new ATOM 353 N ARG A 24 0.340 7.013 -3.645 1.00 0.00 N ATOM 354 CA ARG A 24 -0.602 7.541 -4.633 1.00 0.00 C ATOM 355 C ARG A 24 -0.825 9.019 -4.355 1.00 0.00 C ATOM 356 O ARG A 24 0.104 9.803 -4.547 1.00 0.00 O ATOM 357 CB ARG A 24 -1.884 6.676 -4.752 1.00 0.00 C ATOM 358 CG ARG A 24 -2.432 6.149 -3.417 1.00 0.00 C ATOM 359 CD ARG A 24 -3.964 5.911 -3.418 1.00 0.00 C ATOM 360 NE ARG A 24 -4.557 6.221 -2.103 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.815 5.984 -1.676 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.772 5.500 -2.457 1.00 0.00 N ATOM 363 NH2 ARG A 24 -6.189 6.255 -0.435 1.00 0.00 N ATOM 0 H ARG A 24 -0.093 6.853 -2.736 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.179 7.472 -5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.660 7.267 -5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.674 5.827 -5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.929 5.213 -3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.185 6.859 -2.628 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.430 6.531 -4.184 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.172 4.873 -3.677 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.937 6.672 -1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.574 5.287 -3.435 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.706 5.340 -2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.520 6.653 0.224 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.146 6.066 -0.138 1.00 0.00 H new ATOM 377 N ASP A 25 -2.034 9.418 -3.957 1.00 0.00 N ATOM 378 CA ASP A 25 -2.354 10.806 -3.683 1.00 0.00 C ATOM 379 C ASP A 25 -3.470 10.908 -2.656 1.00 0.00 C ATOM 380 O ASP A 25 -4.339 10.033 -2.566 1.00 0.00 O ATOM 381 CB ASP A 25 -2.818 11.447 -4.979 1.00 0.00 C ATOM 382 CG ASP A 25 -2.982 12.949 -4.811 1.00 0.00 C ATOM 383 OD1 ASP A 25 -1.955 13.654 -4.721 1.00 0.00 O ATOM 384 OD2 ASP A 25 -4.139 13.411 -4.863 1.00 0.00 O ATOM 0 H ASP A 25 -2.817 8.779 -3.817 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.472 11.310 -3.288 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.097 11.242 -5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.765 11.006 -5.289 1.00 0.00 H new ATOM 389 N ALA A 26 -3.479 12.020 -1.925 1.00 0.00 N ATOM 390 CA ALA A 26 -4.446 12.292 -0.880 1.00 0.00 C ATOM 391 C ALA A 26 -5.870 12.574 -1.376 1.00 0.00 C ATOM 392 O ALA A 26 -6.788 12.524 -0.550 1.00 0.00 O ATOM 393 CB ALA A 26 -3.930 13.444 -0.021 1.00 0.00 C ATOM 0 H ALA A 26 -2.798 12.769 -2.050 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.540 11.378 -0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.649 13.659 0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.974 13.167 0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.798 14.330 -0.642 1.00 0.00 H new ATOM 399 N ASP A 27 -6.097 12.881 -2.658 1.00 0.00 N ATOM 400 CA ASP A 27 -7.456 13.136 -3.164 1.00 0.00 C ATOM 401 C ASP A 27 -8.205 11.825 -3.380 1.00 0.00 C ATOM 402 O ASP A 27 -9.419 11.826 -3.584 1.00 0.00 O ATOM 403 CB ASP A 27 -7.462 13.932 -4.478 1.00 0.00 C ATOM 404 CG ASP A 27 -8.037 15.319 -4.256 1.00 0.00 C ATOM 405 OD1 ASP A 27 -9.279 15.472 -4.211 1.00 0.00 O ATOM 406 OD2 ASP A 27 -7.245 16.288 -4.176 1.00 0.00 O ATOM 0 H ASP A 27 -5.364 12.959 -3.363 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.955 13.736 -2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.447 14.011 -4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.051 13.403 -5.228 1.00 0.00 H new ATOM 411 N GLU A 28 -7.498 10.694 -3.346 1.00 0.00 N ATOM 412 CA GLU A 28 -8.099 9.376 -3.526 1.00 0.00 C ATOM 413 C GLU A 28 -8.529 8.857 -2.156 1.00 0.00 C ATOM 414 O GLU A 28 -9.600 8.265 -2.046 1.00 0.00 O ATOM 415 CB GLU A 28 -7.173 8.467 -4.338 1.00 0.00 C ATOM 416 CG GLU A 28 -6.766 9.220 -5.623 1.00 0.00 C ATOM 417 CD GLU A 28 -6.472 8.372 -6.856 1.00 0.00 C ATOM 418 OE1 GLU A 28 -6.736 7.153 -6.875 1.00 0.00 O ATOM 419 OE2 GLU A 28 -6.018 8.981 -7.858 1.00 0.00 O ATOM 0 H GLU A 28 -6.490 10.669 -3.192 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.005 9.414 -4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.290 8.205 -3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.679 7.534 -4.588 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.564 9.918 -5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.880 9.815 -5.401 1.00 0.00 H new ATOM 426 N TYR A 29 -7.748 9.186 -1.113 1.00 0.00 N ATOM 427 CA TYR A 29 -7.998 8.845 0.294 1.00 0.00 C ATOM 428 C TYR A 29 -9.365 9.401 0.727 1.00 0.00 C ATOM 429 O TYR A 29 -9.996 8.918 1.669 1.00 0.00 O ATOM 430 CB TYR A 29 -6.843 9.397 1.153 1.00 0.00 C ATOM 431 CG TYR A 29 -7.108 9.477 2.647 1.00 0.00 C ATOM 432 CD1 TYR A 29 -7.525 8.336 3.362 1.00 0.00 C ATOM 433 CD2 TYR A 29 -6.983 10.712 3.316 1.00 0.00 C ATOM 434 CE1 TYR A 29 -7.851 8.432 4.726 1.00 0.00 C ATOM 435 CE2 TYR A 29 -7.310 10.816 4.678 1.00 0.00 C ATOM 436 CZ TYR A 29 -7.751 9.677 5.385 1.00 0.00 C ATOM 437 OH TYR A 29 -8.086 9.783 6.698 1.00 0.00 O ATOM 0 H TYR A 29 -6.888 9.720 -1.235 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.033 7.764 0.429 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.965 8.772 0.992 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.593 10.395 0.794 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.594 7.383 2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.634 11.582 2.779 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.177 7.557 5.268 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.224 11.766 5.184 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.958 10.708 6.995 1.00 0.00 H new ATOM 447 N LEU A 30 -9.815 10.445 0.030 1.00 0.00 N ATOM 448 CA LEU A 30 -11.075 11.128 0.222 1.00 0.00 C ATOM 449 C LEU A 30 -12.191 10.089 0.120 1.00 0.00 C ATOM 450 O LEU A 30 -12.964 9.910 1.064 1.00 0.00 O ATOM 451 CB LEU A 30 -11.165 12.220 -0.866 1.00 0.00 C ATOM 452 CG LEU A 30 -12.209 13.322 -0.636 1.00 0.00 C ATOM 453 CD1 LEU A 30 -12.029 14.378 -1.732 1.00 0.00 C ATOM 454 CD2 LEU A 30 -13.648 12.814 -0.702 1.00 0.00 C ATOM 0 H LEU A 30 -9.269 10.854 -0.728 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.164 11.608 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.186 12.690 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.381 11.737 -1.819 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.049 13.721 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.760 15.175 -1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.023 14.794 -1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.176 13.917 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.335 13.643 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.837 12.383 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.801 12.053 0.063 1.00 0.00 H new ATOM 466 N ARG A 31 -12.277 9.424 -1.034 1.00 0.00 N ATOM 467 CA ARG A 31 -13.277 8.414 -1.331 1.00 0.00 C ATOM 468 C ARG A 31 -12.945 7.065 -0.720 1.00 0.00 C ATOM 469 O ARG A 31 -13.737 6.572 0.081 1.00 0.00 O ATOM 470 CB ARG A 31 -13.433 8.263 -2.853 1.00 0.00 C ATOM 471 CG ARG A 31 -14.216 9.410 -3.502 1.00 0.00 C ATOM 472 CD ARG A 31 -15.712 9.384 -3.141 1.00 0.00 C ATOM 473 NE ARG A 31 -16.530 9.463 -4.360 1.00 0.00 N ATOM 474 CZ ARG A 31 -16.955 10.578 -4.965 1.00 0.00 C ATOM 475 NH1 ARG A 31 -16.980 11.749 -4.335 1.00 0.00 N ATOM 476 NH2 ARG A 31 -17.343 10.486 -6.228 1.00 0.00 N ATOM 0 H ARG A 31 -11.630 9.583 -1.806 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.213 8.752 -0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.444 8.205 -3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.938 7.321 -3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -13.787 10.361 -3.188 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.106 9.353 -4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -15.946 8.470 -2.596 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.949 10.218 -2.481 1.00 0.00 H new ATOM 0 HE ARG A 31 -16.801 8.578 -4.788 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -16.670 11.813 -3.365 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -17.309 12.583 -4.821 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -17.312 9.586 -6.707 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -17.673 11.315 -6.722 1.00 0.00 H new ATOM 490 N GLU A 32 -11.819 6.458 -1.096 1.00 0.00 N ATOM 491 CA GLU A 32 -11.436 5.138 -0.613 1.00 0.00 C ATOM 492 C GLU A 32 -10.036 5.049 -0.028 1.00 0.00 C ATOM 493 O GLU A 32 -9.146 5.854 -0.295 1.00 0.00 O ATOM 494 CB GLU A 32 -11.414 4.159 -1.804 1.00 0.00 C ATOM 495 CG GLU A 32 -12.749 3.972 -2.552 1.00 0.00 C ATOM 496 CD GLU A 32 -12.954 4.794 -3.829 1.00 0.00 C ATOM 497 OE1 GLU A 32 -14.116 4.821 -4.308 1.00 0.00 O ATOM 498 OE2 GLU A 32 -11.973 5.267 -4.443 1.00 0.00 O ATOM 0 H GLU A 32 -11.149 6.871 -1.745 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.164 4.908 0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.666 4.504 -2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.084 3.185 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.848 2.917 -2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.559 4.210 -1.863 1.00 0.00 H new ATOM 505 N HIS A 33 -9.841 3.992 0.753 1.00 0.00 N ATOM 506 CA HIS A 33 -8.582 3.665 1.394 1.00 0.00 C ATOM 507 C HIS A 33 -8.236 2.259 0.898 1.00 0.00 C ATOM 508 O HIS A 33 -8.667 1.877 -0.186 1.00 0.00 O ATOM 509 CB HIS A 33 -8.691 3.921 2.901 1.00 0.00 C ATOM 510 CG HIS A 33 -7.467 3.641 3.756 1.00 0.00 C ATOM 511 ND1 HIS A 33 -7.486 3.410 5.116 1.00 0.00 N ATOM 512 CD2 HIS A 33 -6.159 3.549 3.350 1.00 0.00 C ATOM 513 CE1 HIS A 33 -6.231 3.152 5.515 1.00 0.00 C ATOM 514 NE2 HIS A 33 -5.391 3.222 4.472 1.00 0.00 N ATOM 0 H HIS A 33 -10.581 3.321 0.961 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.730 4.293 1.134 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.968 4.965 3.044 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.513 3.317 3.285 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -8.311 3.432 5.715 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -5.790 3.701 2.346 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.940 2.921 6.529 1.00 0.00 H new ATOM 522 N ILE A 34 -7.506 1.466 1.665 1.00 0.00 N ATOM 523 CA ILE A 34 -7.051 0.137 1.278 1.00 0.00 C ATOM 524 C ILE A 34 -6.904 -0.740 2.529 1.00 0.00 C ATOM 525 O ILE A 34 -7.254 -0.284 3.622 1.00 0.00 O ATOM 526 CB ILE A 34 -5.680 0.401 0.578 1.00 0.00 C ATOM 527 CG1 ILE A 34 -5.505 -0.270 -0.806 1.00 0.00 C ATOM 528 CG2 ILE A 34 -4.499 0.359 1.563 1.00 0.00 C ATOM 529 CD1 ILE A 34 -4.120 -0.811 -1.168 1.00 0.00 C ATOM 0 H ILE A 34 -7.204 1.735 2.601 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.739 -0.393 0.620 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.685 1.443 0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.214 -1.096 -0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.791 0.455 -1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.570 0.549 1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.637 1.122 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.452 -0.623 2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.151 -1.251 -2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.396 0.004 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.826 -1.571 -0.444 1.00 0.00 H new ATOM 541 N PRO A 35 -6.468 -2.006 2.412 1.00 0.00 N ATOM 542 CA PRO A 35 -6.257 -2.862 3.556 1.00 0.00 C ATOM 543 C PRO A 35 -4.979 -2.435 4.291 1.00 0.00 C ATOM 544 O PRO A 35 -3.883 -2.800 3.878 1.00 0.00 O ATOM 545 CB PRO A 35 -6.151 -4.280 2.999 1.00 0.00 C ATOM 546 CG PRO A 35 -5.766 -4.131 1.523 1.00 0.00 C ATOM 547 CD PRO A 35 -6.050 -2.680 1.195 1.00 0.00 C ATOM 0 HA PRO A 35 -7.067 -2.800 4.283 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.401 -4.856 3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.097 -4.811 3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.716 -4.375 1.361 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.350 -4.801 0.892 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.160 -2.203 0.784 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.829 -2.609 0.436 1.00 0.00 H new ATOM 555 N GLU A 36 -5.150 -1.673 5.370 1.00 0.00 N ATOM 556 CA GLU A 36 -4.129 -1.171 6.287 1.00 0.00 C ATOM 557 C GLU A 36 -2.937 -0.410 5.681 1.00 0.00 C ATOM 558 O GLU A 36 -1.875 -0.987 5.444 1.00 0.00 O ATOM 559 CB GLU A 36 -3.666 -2.372 7.128 1.00 0.00 C ATOM 560 CG GLU A 36 -3.510 -2.123 8.635 1.00 0.00 C ATOM 561 CD GLU A 36 -2.600 -0.952 9.012 1.00 0.00 C ATOM 562 OE1 GLU A 36 -1.433 -0.899 8.574 1.00 0.00 O ATOM 563 OE2 GLU A 36 -2.967 -0.126 9.876 1.00 0.00 O ATOM 0 H GLU A 36 -6.082 -1.366 5.648 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.599 -0.385 6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.379 -3.185 6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.709 -2.716 6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.497 -1.947 9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.120 -3.029 9.098 1.00 0.00 H new ATOM 570 N ALA A 37 -3.071 0.902 5.470 1.00 0.00 N ATOM 571 CA ALA A 37 -1.995 1.719 4.920 1.00 0.00 C ATOM 572 C ALA A 37 -1.848 3.044 5.660 1.00 0.00 C ATOM 573 O ALA A 37 -2.434 3.244 6.728 1.00 0.00 O ATOM 574 CB ALA A 37 -2.212 1.925 3.427 1.00 0.00 C ATOM 0 H ALA A 37 -3.924 1.422 5.675 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.055 1.186 5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.405 2.536 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.222 0.958 2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.165 2.429 3.264 1.00 0.00 H new ATOM 580 N ASP A 38 -0.998 3.925 5.140 1.00 0.00 N ATOM 581 CA ASP A 38 -0.732 5.246 5.682 1.00 0.00 C ATOM 582 C ASP A 38 -0.495 6.200 4.519 1.00 0.00 C ATOM 583 O ASP A 38 0.141 5.827 3.525 1.00 0.00 O ATOM 584 CB ASP A 38 0.453 5.204 6.647 1.00 0.00 C ATOM 585 CG ASP A 38 0.693 6.563 7.309 1.00 0.00 C ATOM 586 OD1 ASP A 38 -0.189 7.016 8.084 1.00 0.00 O ATOM 587 OD2 ASP A 38 1.789 7.135 7.161 1.00 0.00 O ATOM 0 H ASP A 38 -0.457 3.727 4.298 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.586 5.601 6.259 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.270 4.452 7.415 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.350 4.898 6.109 1.00 0.00 H new ATOM 592 N LEU A 39 -1.056 7.408 4.627 1.00 0.00 N ATOM 593 CA LEU A 39 -0.962 8.456 3.625 1.00 0.00 C ATOM 594 C LEU A 39 0.463 8.986 3.549 1.00 0.00 C ATOM 595 O LEU A 39 0.886 9.790 4.383 1.00 0.00 O ATOM 596 CB LEU A 39 -1.966 9.583 3.946 1.00 0.00 C ATOM 597 CG LEU A 39 -1.889 10.796 2.993 1.00 0.00 C ATOM 598 CD1 LEU A 39 -2.306 10.418 1.573 1.00 0.00 C ATOM 599 CD2 LEU A 39 -2.793 11.924 3.496 1.00 0.00 C ATOM 0 H LEU A 39 -1.603 7.685 5.442 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.216 8.044 2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.976 9.174 3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.794 9.926 4.966 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.852 11.132 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.240 11.295 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.644 9.639 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.332 10.050 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.729 12.773 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.824 11.572 3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.471 12.232 4.491 1.00 0.00 H new ATOM 611 N ALA A 40 1.196 8.544 2.534 1.00 0.00 N ATOM 612 CA ALA A 40 2.564 8.945 2.280 1.00 0.00 C ATOM 613 C ALA A 40 2.742 9.016 0.761 1.00 0.00 C ATOM 614 O ALA A 40 3.371 8.125 0.187 1.00 0.00 O ATOM 615 CB ALA A 40 3.507 7.946 2.953 1.00 0.00 C ATOM 0 H ALA A 40 0.840 7.878 1.849 1.00 0.00 H new ATOM 0 HA ALA A 40 2.799 9.924 2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.540 8.239 2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.320 7.936 4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.334 6.950 2.545 1.00 0.00 H new ATOM 621 N PRO A 41 2.168 10.034 0.095 1.00 0.00 N ATOM 622 CA PRO A 41 2.296 10.176 -1.343 1.00 0.00 C ATOM 623 C PRO A 41 3.759 10.448 -1.705 1.00 0.00 C ATOM 624 O PRO A 41 4.608 10.735 -0.853 1.00 0.00 O ATOM 625 CB PRO A 41 1.348 11.317 -1.730 1.00 0.00 C ATOM 626 CG PRO A 41 1.288 12.173 -0.468 1.00 0.00 C ATOM 627 CD PRO A 41 1.400 11.140 0.652 1.00 0.00 C ATOM 0 HA PRO A 41 2.024 9.275 -1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.727 11.883 -2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.363 10.943 -2.009 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.102 12.897 -0.432 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.357 12.736 -0.406 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.898 11.562 1.525 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.414 10.807 0.977 1.00 0.00 H new ATOM 635 N LEU A 42 4.059 10.420 -3.003 1.00 0.00 N ATOM 636 CA LEU A 42 5.405 10.646 -3.526 1.00 0.00 C ATOM 637 C LEU A 42 6.043 11.949 -3.011 1.00 0.00 C ATOM 638 O LEU A 42 7.264 12.042 -2.877 1.00 0.00 O ATOM 639 CB LEU A 42 5.339 10.590 -5.052 1.00 0.00 C ATOM 640 CG LEU A 42 6.748 10.563 -5.677 1.00 0.00 C ATOM 641 CD1 LEU A 42 6.962 9.229 -6.383 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.939 11.729 -6.644 1.00 0.00 C ATOM 0 H LEU A 42 3.366 10.238 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 42 6.065 9.860 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.785 9.703 -5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.790 11.455 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 42 7.490 10.670 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.958 9.207 -6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.868 8.417 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.214 9.108 -7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.941 11.687 -7.071 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.201 11.664 -7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.812 12.670 -6.109 1.00 0.00 H new ATOM 654 N SER A 43 5.224 12.941 -2.669 1.00 0.00 N ATOM 655 CA SER A 43 5.629 14.235 -2.138 1.00 0.00 C ATOM 656 C SER A 43 6.347 14.128 -0.785 1.00 0.00 C ATOM 657 O SER A 43 6.960 15.099 -0.351 1.00 0.00 O ATOM 658 CB SER A 43 4.370 15.095 -2.025 1.00 0.00 C ATOM 659 OG SER A 43 3.740 15.097 -3.292 1.00 0.00 O ATOM 0 H SER A 43 4.212 12.858 -2.760 1.00 0.00 H new ATOM 0 HA SER A 43 6.355 14.688 -2.814 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.700 14.695 -1.264 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.625 16.111 -1.722 1.00 0.00 H new ATOM 0 HG SER A 43 2.926 15.641 -3.252 1.00 0.00 H new ATOM 665 N VAL A 44 6.324 12.966 -0.132 1.00 0.00 N ATOM 666 CA VAL A 44 6.966 12.718 1.153 1.00 0.00 C ATOM 667 C VAL A 44 8.126 11.732 0.956 1.00 0.00 C ATOM 668 O VAL A 44 9.211 11.895 1.515 1.00 0.00 O ATOM 669 CB VAL A 44 5.915 12.172 2.152 1.00 0.00 C ATOM 670 CG1 VAL A 44 6.447 12.292 3.581 1.00 0.00 C ATOM 671 CG2 VAL A 44 4.556 12.892 2.075 1.00 0.00 C ATOM 0 H VAL A 44 5.841 12.146 -0.498 1.00 0.00 H new ATOM 0 HA VAL A 44 7.373 13.643 1.562 1.00 0.00 H new ATOM 0 HB VAL A 44 5.749 11.131 1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.704 11.907 4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.368 11.716 3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.649 13.339 3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.872 12.456 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.692 13.951 2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.141 12.779 1.074 1.00 0.00 H new ATOM 681 N LEU A 45 7.930 10.732 0.095 1.00 0.00 N ATOM 682 CA LEU A 45 8.904 9.688 -0.208 1.00 0.00 C ATOM 683 C LEU A 45 10.201 10.249 -0.784 1.00 0.00 C ATOM 684 O LEU A 45 11.281 9.814 -0.400 1.00 0.00 O ATOM 685 CB LEU A 45 8.297 8.698 -1.218 1.00 0.00 C ATOM 686 CG LEU A 45 7.232 7.703 -0.702 1.00 0.00 C ATOM 687 CD1 LEU A 45 7.875 6.354 -0.391 1.00 0.00 C ATOM 688 CD2 LEU A 45 6.473 8.104 0.569 1.00 0.00 C ATOM 0 H LEU A 45 7.060 10.625 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 45 9.145 9.189 0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.851 9.276 -2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.113 8.120 -1.652 1.00 0.00 H new ATOM 0 HG LEU A 45 6.512 7.678 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.114 5.663 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.330 5.951 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.641 6.484 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.756 7.324 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.179 8.233 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.943 9.041 0.396 1.00 0.00 H new ATOM 700 N GLU A 46 10.110 11.215 -1.691 1.00 0.00 N ATOM 701 CA GLU A 46 11.242 11.833 -2.357 1.00 0.00 C ATOM 702 C GLU A 46 11.912 12.916 -1.520 1.00 0.00 C ATOM 703 O GLU A 46 13.025 13.332 -1.840 1.00 0.00 O ATOM 704 CB GLU A 46 10.707 12.428 -3.663 1.00 0.00 C ATOM 705 CG GLU A 46 10.536 11.355 -4.743 1.00 0.00 C ATOM 706 CD GLU A 46 11.896 10.848 -5.233 1.00 0.00 C ATOM 707 OE1 GLU A 46 12.549 11.543 -6.051 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.356 9.793 -4.756 1.00 0.00 O ATOM 0 H GLU A 46 9.214 11.600 -1.990 1.00 0.00 H new ATOM 0 HA GLU A 46 12.012 11.081 -2.530 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.749 12.914 -3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.391 13.198 -4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.955 10.523 -4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.973 11.764 -5.582 1.00 0.00 H new ATOM 715 N GLN A 47 11.254 13.386 -0.463 1.00 0.00 N ATOM 716 CA GLN A 47 11.781 14.411 0.414 1.00 0.00 C ATOM 717 C GLN A 47 12.370 13.813 1.681 1.00 0.00 C ATOM 718 O GLN A 47 13.221 14.449 2.306 1.00 0.00 O ATOM 719 CB GLN A 47 10.640 15.366 0.755 1.00 0.00 C ATOM 720 CG GLN A 47 10.204 16.130 -0.500 1.00 0.00 C ATOM 721 CD GLN A 47 9.901 17.601 -0.250 1.00 0.00 C ATOM 722 OE1 GLN A 47 8.755 18.028 -0.342 1.00 0.00 O ATOM 723 NE2 GLN A 47 10.912 18.428 -0.049 1.00 0.00 N ATOM 0 H GLN A 47 10.327 13.056 -0.194 1.00 0.00 H new ATOM 0 HA GLN A 47 12.589 14.942 -0.090 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.797 14.808 1.162 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.960 16.068 1.525 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.989 16.053 -1.252 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.317 15.652 -0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.862 18.064 0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.743 19.431 0.031 1.00 0.00 H new ATOM 732 N SER A 48 11.953 12.597 2.033 1.00 0.00 N ATOM 733 CA SER A 48 12.425 11.923 3.230 1.00 0.00 C ATOM 734 C SER A 48 12.487 10.410 3.076 1.00 0.00 C ATOM 735 O SER A 48 13.520 9.806 3.368 1.00 0.00 O ATOM 736 CB SER A 48 11.470 12.279 4.369 1.00 0.00 C ATOM 737 OG SER A 48 11.539 13.652 4.701 1.00 0.00 O ATOM 0 H SER A 48 11.278 12.056 1.492 1.00 0.00 H new ATOM 0 HA SER A 48 13.443 12.256 3.432 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.450 12.025 4.081 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.712 11.680 5.247 1.00 0.00 H new ATOM 0 HG SER A 48 10.914 13.844 5.431 1.00 0.00 H new ATOM 743 N GLY A 49 11.393 9.789 2.637 1.00 0.00 N ATOM 744 CA GLY A 49 11.306 8.347 2.466 1.00 0.00 C ATOM 745 C GLY A 49 10.247 7.782 3.403 1.00 0.00 C ATOM 746 O GLY A 49 9.332 8.497 3.823 1.00 0.00 O ATOM 0 H GLY A 49 10.535 10.282 2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.056 8.108 1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.272 7.887 2.674 1.00 0.00 H new ATOM 750 N LEU A 50 10.355 6.488 3.695 1.00 0.00 N ATOM 751 CA LEU A 50 9.441 5.739 4.549 1.00 0.00 C ATOM 752 C LEU A 50 9.247 6.371 5.941 1.00 0.00 C ATOM 753 O LEU A 50 10.243 6.737 6.573 1.00 0.00 O ATOM 754 CB LEU A 50 10.009 4.318 4.707 1.00 0.00 C ATOM 755 CG LEU A 50 9.037 3.348 5.397 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.950 2.887 4.427 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.786 2.126 5.914 1.00 0.00 C ATOM 0 H LEU A 50 11.112 5.911 3.328 1.00 0.00 H new ATOM 0 HA LEU A 50 8.459 5.739 4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.266 3.925 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.933 4.366 5.282 1.00 0.00 H new ATOM 0 HG LEU A 50 8.575 3.877 6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.274 2.201 4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.390 3.751 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.410 2.379 3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.084 1.448 6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.267 1.614 5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.544 2.440 6.632 1.00 0.00 H new ATOM 769 N PRO A 51 8.006 6.481 6.452 1.00 0.00 N ATOM 770 CA PRO A 51 7.749 7.036 7.776 1.00 0.00 C ATOM 771 C PRO A 51 8.245 6.076 8.860 1.00 0.00 C ATOM 772 O PRO A 51 8.112 4.858 8.739 1.00 0.00 O ATOM 773 CB PRO A 51 6.234 7.176 7.887 1.00 0.00 C ATOM 774 CG PRO A 51 5.696 6.162 6.894 1.00 0.00 C ATOM 775 CD PRO A 51 6.752 6.106 5.812 1.00 0.00 C ATOM 0 HA PRO A 51 8.262 7.989 7.908 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.887 6.966 8.899 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.908 8.187 7.641 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.551 5.187 7.359 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.731 6.471 6.493 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.817 5.106 5.382 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.511 6.788 4.997 1.00 0.00 H new ATOM 783 N ALA A 52 8.678 6.629 9.994 1.00 0.00 N ATOM 784 CA ALA A 52 9.195 5.871 11.127 1.00 0.00 C ATOM 785 C ALA A 52 8.150 4.974 11.788 1.00 0.00 C ATOM 786 O ALA A 52 8.503 4.150 12.628 1.00 0.00 O ATOM 787 CB ALA A 52 9.786 6.844 12.151 1.00 0.00 C ATOM 0 H ALA A 52 8.678 7.637 10.150 1.00 0.00 H new ATOM 0 HA ALA A 52 9.965 5.201 10.744 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.175 6.285 13.002 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.594 7.411 11.690 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.010 7.530 12.492 1.00 0.00 H new ATOM 793 N LYS A 53 6.860 5.127 11.486 1.00 0.00 N ATOM 794 CA LYS A 53 5.851 4.263 12.091 1.00 0.00 C ATOM 795 C LYS A 53 5.830 2.957 11.327 1.00 0.00 C ATOM 796 O LYS A 53 6.113 1.893 11.871 1.00 0.00 O ATOM 797 CB LYS A 53 4.445 4.891 12.098 1.00 0.00 C ATOM 798 CG LYS A 53 4.361 6.334 12.566 1.00 0.00 C ATOM 799 CD LYS A 53 4.916 6.473 13.980 1.00 0.00 C ATOM 800 CE LYS A 53 4.138 5.722 15.071 1.00 0.00 C ATOM 801 NZ LYS A 53 2.825 6.330 15.349 1.00 0.00 N ATOM 0 H LYS A 53 6.496 5.827 10.839 1.00 0.00 H new ATOM 0 HA LYS A 53 6.120 4.107 13.136 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.038 4.833 11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.802 4.285 12.736 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.920 6.976 11.885 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.324 6.670 12.542 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.947 6.119 13.984 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.942 7.531 14.239 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.997 4.686 14.764 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.728 5.705 15.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.341 5.786 16.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.957 7.311 15.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.249 6.323 14.483 1.00 0.00 H new ATOM 815 N LEU A 54 5.529 3.053 10.037 1.00 0.00 N ATOM 816 CA LEU A 54 5.405 1.921 9.135 1.00 0.00 C ATOM 817 C LEU A 54 6.768 1.426 8.647 1.00 0.00 C ATOM 818 O LEU A 54 6.896 0.976 7.514 1.00 0.00 O ATOM 819 CB LEU A 54 4.489 2.285 7.946 1.00 0.00 C ATOM 820 CG LEU A 54 3.115 2.939 8.220 1.00 0.00 C ATOM 821 CD1 LEU A 54 2.396 2.429 9.471 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.220 4.464 8.288 1.00 0.00 C ATOM 0 H LEU A 54 5.360 3.949 9.579 1.00 0.00 H new ATOM 0 HA LEU A 54 4.950 1.101 9.690 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.048 2.958 7.296 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.309 1.371 7.379 1.00 0.00 H new ATOM 0 HG LEU A 54 2.507 2.639 7.366 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.443 2.946 9.579 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.219 1.358 9.378 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.014 2.620 10.349 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.235 4.888 8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.901 4.746 9.091 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.599 4.845 7.340 1.00 0.00 H new ATOM 834 N ARG A 55 7.765 1.432 9.528 1.00 0.00 N ATOM 835 CA ARG A 55 9.132 0.992 9.240 1.00 0.00 C ATOM 836 C ARG A 55 9.414 -0.462 9.632 1.00 0.00 C ATOM 837 O ARG A 55 10.572 -0.880 9.598 1.00 0.00 O ATOM 838 CB ARG A 55 10.123 2.001 9.830 1.00 0.00 C ATOM 839 CG ARG A 55 10.338 1.769 11.331 1.00 0.00 C ATOM 840 CD ARG A 55 11.705 1.143 11.613 1.00 0.00 C ATOM 841 NE ARG A 55 11.655 0.221 12.760 1.00 0.00 N ATOM 842 CZ ARG A 55 12.036 -1.060 12.775 1.00 0.00 C ATOM 843 NH1 ARG A 55 12.296 -1.708 11.647 1.00 0.00 N ATOM 844 NH2 ARG A 55 12.133 -1.694 13.939 1.00 0.00 N ATOM 0 H ARG A 55 7.643 1.751 10.489 1.00 0.00 H new ATOM 0 HA ARG A 55 9.264 0.979 8.158 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.077 1.922 9.309 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.753 3.013 9.667 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.255 2.717 11.862 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.553 1.118 11.716 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.049 0.606 10.729 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.432 1.931 11.810 1.00 0.00 H new ATOM 0 HE ARG A 55 11.292 0.600 13.635 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.206 -1.229 10.751 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.586 -2.686 11.676 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.918 -1.203 14.807 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.423 -2.672 13.965 1.00 0.00 H new ATOM 858 N HIS A 56 8.380 -1.184 10.067 1.00 0.00 N ATOM 859 CA HIS A 56 8.422 -2.584 10.479 1.00 0.00 C ATOM 860 C HIS A 56 9.207 -3.434 9.469 1.00 0.00 C ATOM 861 O HIS A 56 9.259 -3.118 8.285 1.00 0.00 O ATOM 862 CB HIS A 56 6.980 -3.118 10.637 1.00 0.00 C ATOM 863 CG HIS A 56 6.473 -3.121 12.059 1.00 0.00 C ATOM 864 ND1 HIS A 56 5.601 -2.228 12.645 1.00 0.00 N ATOM 865 CD2 HIS A 56 6.765 -4.077 12.994 1.00 0.00 C ATOM 866 CE1 HIS A 56 5.389 -2.632 13.909 1.00 0.00 C ATOM 867 NE2 HIS A 56 6.082 -3.756 14.174 1.00 0.00 N ATOM 0 H HIS A 56 7.444 -0.786 10.145 1.00 0.00 H new ATOM 0 HA HIS A 56 8.937 -2.653 11.437 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.311 -2.512 10.026 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.936 -4.134 10.245 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.410 -4.931 12.847 1.00 0.00 H new ATOM 0 HE1 HIS A 56 4.750 -2.124 14.616 1.00 0.00 H new ATOM 0 HE2 HIS A 56 6.105 -4.269 15.055 1.00 0.00 H new ATOM 875 N GLU A 57 9.722 -4.579 9.923 1.00 0.00 N ATOM 876 CA GLU A 57 10.519 -5.535 9.144 1.00 0.00 C ATOM 877 C GLU A 57 9.857 -6.036 7.852 1.00 0.00 C ATOM 878 O GLU A 57 10.550 -6.628 7.022 1.00 0.00 O ATOM 879 CB GLU A 57 10.863 -6.736 10.053 1.00 0.00 C ATOM 880 CG GLU A 57 12.154 -6.555 10.862 1.00 0.00 C ATOM 881 CD GLU A 57 12.193 -5.220 11.598 1.00 0.00 C ATOM 882 OE1 GLU A 57 11.417 -5.027 12.562 1.00 0.00 O ATOM 883 OE2 GLU A 57 12.947 -4.313 11.188 1.00 0.00 O ATOM 0 H GLU A 57 9.590 -4.881 10.888 1.00 0.00 H new ATOM 0 HA GLU A 57 11.409 -4.999 8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.035 -6.906 10.742 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.954 -7.631 9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.245 -7.368 11.583 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.012 -6.624 10.193 1.00 0.00 H new ATOM 890 N GLN A 58 8.545 -5.853 7.675 1.00 0.00 N ATOM 891 CA GLN A 58 7.784 -6.265 6.505 1.00 0.00 C ATOM 892 C GLN A 58 6.776 -5.172 6.184 1.00 0.00 C ATOM 893 O GLN A 58 5.910 -4.849 7.002 1.00 0.00 O ATOM 894 CB GLN A 58 7.077 -7.608 6.779 1.00 0.00 C ATOM 895 CG GLN A 58 8.018 -8.828 6.905 1.00 0.00 C ATOM 896 CD GLN A 58 7.492 -9.858 7.901 1.00 0.00 C ATOM 897 OE1 GLN A 58 7.198 -9.532 9.050 1.00 0.00 O ATOM 898 NE2 GLN A 58 7.334 -11.107 7.510 1.00 0.00 N ATOM 0 H GLN A 58 7.965 -5.393 8.377 1.00 0.00 H new ATOM 0 HA GLN A 58 8.446 -6.410 5.652 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.500 -7.517 7.699 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.366 -7.798 5.975 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.136 -9.297 5.928 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.006 -8.492 7.219 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.578 -11.378 6.557 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.968 -11.803 8.160 1.00 0.00 H new ATOM 907 N ILE A 59 6.901 -4.596 4.989 1.00 0.00 N ATOM 908 CA ILE A 59 6.034 -3.546 4.495 1.00 0.00 C ATOM 909 C ILE A 59 5.523 -3.915 3.089 1.00 0.00 C ATOM 910 O ILE A 59 5.832 -4.987 2.559 1.00 0.00 O ATOM 911 CB ILE A 59 6.677 -2.146 4.636 1.00 0.00 C ATOM 912 CG1 ILE A 59 7.510 -1.669 3.433 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.522 -1.912 5.903 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.044 -0.320 2.904 1.00 0.00 C ATOM 0 H ILE A 59 7.630 -4.859 4.326 1.00 0.00 H new ATOM 0 HA ILE A 59 5.145 -3.469 5.121 1.00 0.00 H new ATOM 0 HB ILE A 59 5.768 -1.548 4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.558 -1.600 3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.449 -2.410 2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.921 -0.898 5.892 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.898 -2.047 6.787 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.346 -2.625 5.928 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.664 -0.028 2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.004 -0.394 2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.130 0.429 3.691 1.00 0.00 H new ATOM 926 N ILE A 60 4.714 -3.055 2.482 1.00 0.00 N ATOM 927 CA ILE A 60 4.097 -3.210 1.168 1.00 0.00 C ATOM 928 C ILE A 60 3.953 -1.818 0.555 1.00 0.00 C ATOM 929 O ILE A 60 3.873 -0.812 1.257 1.00 0.00 O ATOM 930 CB ILE A 60 2.694 -3.888 1.260 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.686 -5.193 2.086 1.00 0.00 C ATOM 932 CG2 ILE A 60 2.079 -4.150 -0.140 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.337 -5.912 2.049 1.00 0.00 C ATOM 0 H ILE A 60 4.454 -2.173 2.923 1.00 0.00 H new ATOM 0 HA ILE A 60 4.726 -3.853 0.553 1.00 0.00 H new ATOM 0 HB ILE A 60 2.074 -3.166 1.792 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.459 -5.862 1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.942 -4.964 3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.103 -4.623 -0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.964 -3.204 -0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.736 -4.807 -0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.393 -6.822 2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.565 -5.258 2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.090 -6.170 1.019 1.00 0.00 H new ATOM 945 N PHE A 61 3.863 -1.779 -0.766 1.00 0.00 N ATOM 946 CA PHE A 61 3.701 -0.590 -1.577 1.00 0.00 C ATOM 947 C PHE A 61 2.544 -0.774 -2.551 1.00 0.00 C ATOM 948 O PHE A 61 2.332 -1.866 -3.096 1.00 0.00 O ATOM 949 CB PHE A 61 5.008 -0.325 -2.332 1.00 0.00 C ATOM 950 CG PHE A 61 5.984 0.501 -1.528 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.647 1.801 -1.114 1.00 0.00 C ATOM 952 CD2 PHE A 61 7.218 -0.044 -1.154 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.537 2.539 -0.315 1.00 0.00 C ATOM 954 CE2 PHE A 61 8.105 0.690 -0.357 1.00 0.00 C ATOM 955 CZ PHE A 61 7.771 1.987 0.064 1.00 0.00 C ATOM 0 H PHE A 61 3.904 -2.628 -1.330 1.00 0.00 H new ATOM 0 HA PHE A 61 3.473 0.265 -0.941 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.472 -1.276 -2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.786 0.189 -3.267 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.703 2.234 -1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.488 -1.037 -1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.271 3.534 0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.050 0.257 -0.065 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.457 2.555 0.674 1.00 0.00 H new ATOM 965 N HIS A 62 1.799 0.308 -2.780 1.00 0.00 N ATOM 966 CA HIS A 62 0.669 0.346 -3.689 1.00 0.00 C ATOM 967 C HIS A 62 0.452 1.784 -4.162 1.00 0.00 C ATOM 968 O HIS A 62 0.778 2.735 -3.448 1.00 0.00 O ATOM 969 CB HIS A 62 -0.597 -0.206 -2.995 1.00 0.00 C ATOM 970 CG HIS A 62 -1.786 0.747 -3.010 1.00 0.00 C ATOM 971 ND1 HIS A 62 -2.744 0.853 -3.998 1.00 0.00 N ATOM 972 CD2 HIS A 62 -1.981 1.807 -2.160 1.00 0.00 C ATOM 973 CE1 HIS A 62 -3.493 1.937 -3.754 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.055 2.559 -2.655 1.00 0.00 N ATOM 0 H HIS A 62 1.975 1.203 -2.323 1.00 0.00 H new ATOM 0 HA HIS A 62 0.875 -0.283 -4.555 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.887 -1.138 -3.481 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.354 -0.449 -1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.409 2.023 -1.269 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.328 2.261 -4.357 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -3.431 3.418 -2.253 1.00 0.00 H new ATOM 982 N CYS A 63 -0.147 1.931 -5.345 1.00 0.00 N ATOM 983 CA CYS A 63 -0.471 3.210 -5.937 1.00 0.00 C ATOM 984 C CYS A 63 -1.619 2.990 -6.929 1.00 0.00 C ATOM 985 O CYS A 63 -1.476 2.211 -7.883 1.00 0.00 O ATOM 986 CB CYS A 63 0.779 3.788 -6.601 1.00 0.00 C ATOM 987 SG CYS A 63 0.474 5.423 -7.315 1.00 0.00 S ATOM 0 H CYS A 63 -0.423 1.138 -5.924 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.797 3.933 -5.189 1.00 0.00 H new ATOM 0 HB2 CYS A 63 1.581 3.857 -5.866 1.00 0.00 H new ATOM 0 HB3 CYS A 63 1.121 3.109 -7.382 1.00 0.00 H new ATOM 0 HG CYS A 63 1.206 6.307 -6.704 1.00 0.00 H new ATOM 993 N GLN A 64 -2.737 3.686 -6.688 1.00 0.00 N ATOM 994 CA GLN A 64 -3.970 3.668 -7.477 1.00 0.00 C ATOM 995 C GLN A 64 -4.436 2.226 -7.751 1.00 0.00 C ATOM 996 O GLN A 64 -4.112 1.320 -6.972 1.00 0.00 O ATOM 997 CB GLN A 64 -3.759 4.553 -8.736 1.00 0.00 C ATOM 998 CG GLN A 64 -4.791 5.680 -8.818 1.00 0.00 C ATOM 999 CD GLN A 64 -4.875 6.373 -10.181 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -4.408 5.882 -11.206 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -5.477 7.549 -10.220 1.00 0.00 N ATOM 0 H GLN A 64 -2.807 4.314 -5.888 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.802 4.104 -6.924 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.756 4.979 -8.717 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.825 3.934 -9.631 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.772 5.274 -8.571 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.554 6.427 -8.060 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.863 7.953 -9.367 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.555 8.053 -11.103 1.00 0.00 H new ATOM 1010 N ALA A 65 -5.227 1.994 -8.804 1.00 0.00 N ATOM 1011 CA ALA A 65 -5.724 0.677 -9.204 1.00 0.00 C ATOM 1012 C ALA A 65 -5.025 0.250 -10.508 1.00 0.00 C ATOM 1013 O ALA A 65 -5.680 -0.266 -11.419 1.00 0.00 O ATOM 1014 CB ALA A 65 -7.256 0.712 -9.345 1.00 0.00 C ATOM 0 H ALA A 65 -5.548 2.742 -9.419 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.492 -0.065 -8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.617 -0.273 -9.643 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.703 0.988 -8.390 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.535 1.445 -10.102 1.00 0.00 H new ATOM 1020 N GLY A 66 -3.720 0.520 -10.656 1.00 0.00 N ATOM 1021 CA GLY A 66 -2.959 0.163 -11.851 1.00 0.00 C ATOM 1022 C GLY A 66 -1.873 1.163 -12.237 1.00 0.00 C ATOM 1023 O GLY A 66 -1.434 1.129 -13.381 1.00 0.00 O ATOM 0 H GLY A 66 -3.165 0.994 -9.944 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.497 -0.812 -11.693 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.650 0.057 -12.687 1.00 0.00 H new ATOM 1027 N LYS A 67 -1.415 2.055 -11.343 1.00 0.00 N ATOM 1028 CA LYS A 67 -0.365 3.045 -11.635 1.00 0.00 C ATOM 1029 C LYS A 67 1.042 2.440 -11.785 1.00 0.00 C ATOM 1030 O LYS A 67 2.032 3.152 -11.607 1.00 0.00 O ATOM 1031 CB LYS A 67 -0.360 4.140 -10.547 1.00 0.00 C ATOM 1032 CG LYS A 67 -0.064 5.528 -11.142 1.00 0.00 C ATOM 1033 CD LYS A 67 -1.349 6.119 -11.732 1.00 0.00 C ATOM 1034 CE LYS A 67 -1.081 7.186 -12.791 1.00 0.00 C ATOM 1035 NZ LYS A 67 -2.351 7.640 -13.387 1.00 0.00 N ATOM 0 H LYS A 67 -1.767 2.110 -10.387 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.611 3.474 -12.606 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.327 4.158 -10.043 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.388 3.900 -9.792 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.331 6.189 -10.371 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.700 5.448 -11.915 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.942 5.318 -12.173 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.945 6.553 -10.929 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.558 8.031 -12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.430 6.784 -13.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.157 8.366 -14.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.834 6.833 -13.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.959 8.042 -12.645 1.00 0.00 H new ATOM 1049 N ARG A 68 1.138 1.140 -12.075 1.00 0.00 N ATOM 1050 CA ARG A 68 2.353 0.353 -12.251 1.00 0.00 C ATOM 1051 C ARG A 68 3.311 0.654 -11.098 1.00 0.00 C ATOM 1052 O ARG A 68 4.301 1.367 -11.261 1.00 0.00 O ATOM 1053 CB ARG A 68 2.968 0.563 -13.654 1.00 0.00 C ATOM 1054 CG ARG A 68 1.994 0.584 -14.851 1.00 0.00 C ATOM 1055 CD ARG A 68 0.950 -0.541 -14.900 1.00 0.00 C ATOM 1056 NE ARG A 68 1.557 -1.880 -14.883 1.00 0.00 N ATOM 1057 CZ ARG A 68 0.942 -2.969 -14.412 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -0.382 -2.981 -14.305 1.00 0.00 N ATOM 1059 NH2 ARG A 68 1.646 -4.031 -14.045 1.00 0.00 N ATOM 0 H ARG A 68 0.302 0.570 -12.202 1.00 0.00 H new ATOM 0 HA ARG A 68 2.120 -0.711 -12.211 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.515 1.506 -13.646 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.698 -0.228 -13.825 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.468 1.539 -14.847 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.580 0.547 -15.769 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.275 -0.442 -14.050 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.346 -0.432 -15.801 1.00 0.00 H new ATOM 0 HE ARG A 68 2.502 -1.984 -15.252 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.923 -2.162 -14.582 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.857 -3.809 -13.946 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.663 -4.020 -14.121 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.170 -4.859 -13.686 1.00 0.00 H new ATOM 1073 N THR A 69 3.012 0.170 -9.894 1.00 0.00 N ATOM 1074 CA THR A 69 3.877 0.415 -8.733 1.00 0.00 C ATOM 1075 C THR A 69 5.285 -0.149 -9.013 1.00 0.00 C ATOM 1076 O THR A 69 6.283 0.441 -8.591 1.00 0.00 O ATOM 1077 CB THR A 69 3.185 -0.093 -7.458 1.00 0.00 C ATOM 1078 OG1 THR A 69 1.929 0.548 -7.377 1.00 0.00 O ATOM 1079 CG2 THR A 69 3.904 0.234 -6.149 1.00 0.00 C ATOM 0 H THR A 69 2.184 -0.391 -9.694 1.00 0.00 H new ATOM 0 HA THR A 69 4.033 1.479 -8.557 1.00 0.00 H new ATOM 0 HB THR A 69 3.151 -1.179 -7.549 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.458 0.244 -6.573 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.335 -0.168 -5.311 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.899 -0.212 -6.159 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.992 1.315 -6.043 1.00 0.00 H new ATOM 1087 N SER A 70 5.382 -1.215 -9.820 1.00 0.00 N ATOM 1088 CA SER A 70 6.643 -1.838 -10.206 1.00 0.00 C ATOM 1089 C SER A 70 7.543 -0.866 -10.967 1.00 0.00 C ATOM 1090 O SER A 70 8.762 -1.026 -10.975 1.00 0.00 O ATOM 1091 CB SER A 70 6.347 -3.038 -11.108 1.00 0.00 C ATOM 1092 OG SER A 70 6.015 -4.135 -10.291 1.00 0.00 O ATOM 0 H SER A 70 4.566 -1.673 -10.227 1.00 0.00 H new ATOM 0 HA SER A 70 7.161 -2.146 -9.298 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.526 -2.809 -11.787 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.215 -3.273 -11.724 1.00 0.00 H new ATOM 0 HG SER A 70 5.820 -4.914 -10.853 1.00 0.00 H new ATOM 1098 N ASN A 71 6.954 0.169 -11.567 1.00 0.00 N ATOM 1099 CA ASN A 71 7.661 1.173 -12.361 1.00 0.00 C ATOM 1100 C ASN A 71 8.634 2.039 -11.577 1.00 0.00 C ATOM 1101 O ASN A 71 9.392 2.811 -12.164 1.00 0.00 O ATOM 1102 CB ASN A 71 6.635 2.023 -13.107 1.00 0.00 C ATOM 1103 CG ASN A 71 7.202 2.784 -14.296 1.00 0.00 C ATOM 1104 OD1 ASN A 71 6.890 3.958 -14.490 1.00 0.00 O ATOM 1105 ND2 ASN A 71 7.956 2.134 -15.160 1.00 0.00 N ATOM 0 H ASN A 71 5.949 0.336 -11.513 1.00 0.00 H new ATOM 0 HA ASN A 71 8.295 0.632 -13.063 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.828 1.377 -13.454 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.195 2.736 -12.410 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.288 2.604 -16.002 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.207 1.161 -14.987 1.00 0.00 H new ATOM 1112 N ASN A 72 8.598 1.941 -10.251 1.00 0.00 N ATOM 1113 CA ASN A 72 9.464 2.681 -9.343 1.00 0.00 C ATOM 1114 C ASN A 72 9.899 1.785 -8.191 1.00 0.00 C ATOM 1115 O ASN A 72 10.434 2.269 -7.191 1.00 0.00 O ATOM 1116 CB ASN A 72 8.723 3.905 -8.809 1.00 0.00 C ATOM 1117 CG ASN A 72 8.348 4.845 -9.941 1.00 0.00 C ATOM 1118 OD1 ASN A 72 9.171 5.631 -10.397 1.00 0.00 O ATOM 1119 ND2 ASN A 72 7.128 4.786 -10.453 1.00 0.00 N ATOM 0 H ASN A 72 7.945 1.325 -9.766 1.00 0.00 H new ATOM 0 HA ASN A 72 10.352 3.011 -9.883 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.824 3.589 -8.280 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.350 4.429 -8.088 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.871 5.396 -11.229 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.446 4.131 -10.071 1.00 0.00 H new ATOM 1126 N ALA A 73 9.634 0.480 -8.303 1.00 0.00 N ATOM 1127 CA ALA A 73 9.962 -0.502 -7.285 1.00 0.00 C ATOM 1128 C ALA A 73 11.421 -0.448 -6.825 1.00 0.00 C ATOM 1129 O ALA A 73 11.692 -0.791 -5.681 1.00 0.00 O ATOM 1130 CB ALA A 73 9.594 -1.895 -7.791 1.00 0.00 C ATOM 0 H ALA A 73 9.177 0.077 -9.121 1.00 0.00 H new ATOM 0 HA ALA A 73 9.374 -0.259 -6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.839 -2.635 -7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.526 -1.934 -8.005 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.154 -2.111 -8.701 1.00 0.00 H new ATOM 1136 N ASP A 74 12.363 -0.036 -7.676 1.00 0.00 N ATOM 1137 CA ASP A 74 13.780 0.032 -7.294 1.00 0.00 C ATOM 1138 C ASP A 74 13.957 1.059 -6.184 1.00 0.00 C ATOM 1139 O ASP A 74 14.556 0.762 -5.147 1.00 0.00 O ATOM 1140 CB ASP A 74 14.689 0.360 -8.487 1.00 0.00 C ATOM 1141 CG ASP A 74 14.970 -0.901 -9.287 1.00 0.00 C ATOM 1142 OD1 ASP A 74 15.855 -1.693 -8.877 1.00 0.00 O ATOM 1143 OD2 ASP A 74 14.183 -1.180 -10.225 1.00 0.00 O ATOM 0 H ASP A 74 12.173 0.256 -8.635 1.00 0.00 H new ATOM 0 HA ASP A 74 14.079 -0.952 -6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.213 1.106 -9.123 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.625 0.793 -8.134 1.00 0.00 H new ATOM 1148 N LYS A 75 13.419 2.262 -6.396 1.00 0.00 N ATOM 1149 CA LYS A 75 13.484 3.348 -5.434 1.00 0.00 C ATOM 1150 C LYS A 75 12.667 2.996 -4.207 1.00 0.00 C ATOM 1151 O LYS A 75 13.169 3.117 -3.095 1.00 0.00 O ATOM 1152 CB LYS A 75 13.002 4.662 -6.082 1.00 0.00 C ATOM 1153 CG LYS A 75 14.216 5.551 -6.357 1.00 0.00 C ATOM 1154 CD LYS A 75 14.756 6.163 -5.057 1.00 0.00 C ATOM 1155 CE LYS A 75 14.287 7.613 -4.914 1.00 0.00 C ATOM 1156 NZ LYS A 75 14.653 8.191 -3.611 1.00 0.00 N ATOM 0 H LYS A 75 12.922 2.505 -7.253 1.00 0.00 H new ATOM 0 HA LYS A 75 14.517 3.496 -5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.470 4.452 -7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.302 5.174 -5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.998 4.965 -6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.940 6.346 -7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.415 5.578 -4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.845 6.125 -5.055 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.723 8.214 -5.711 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.205 7.657 -5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.039 9.005 -3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.535 7.474 -2.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.645 8.503 -3.636 1.00 0.00 H new ATOM 1170 N LEU A 76 11.428 2.546 -4.406 1.00 0.00 N ATOM 1171 CA LEU A 76 10.523 2.166 -3.322 1.00 0.00 C ATOM 1172 C LEU A 76 11.183 1.128 -2.408 1.00 0.00 C ATOM 1173 O LEU A 76 11.049 1.225 -1.191 1.00 0.00 O ATOM 1174 CB LEU A 76 9.183 1.651 -3.876 1.00 0.00 C ATOM 1175 CG LEU A 76 8.324 2.706 -4.605 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.085 2.031 -5.213 1.00 0.00 C ATOM 1177 CD2 LEU A 76 7.884 3.846 -3.678 1.00 0.00 C ATOM 0 H LEU A 76 11.021 2.434 -5.334 1.00 0.00 H new ATOM 0 HA LEU A 76 10.312 3.054 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.384 0.831 -4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.601 1.239 -3.051 1.00 0.00 H new ATOM 0 HG LEU A 76 8.942 3.143 -5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.480 2.777 -5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.399 1.266 -5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.496 1.570 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.283 4.561 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.292 3.440 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.764 4.349 -3.277 1.00 0.00 H new ATOM 1189 N ALA A 77 11.905 0.152 -2.969 1.00 0.00 N ATOM 1190 CA ALA A 77 12.584 -0.865 -2.181 1.00 0.00 C ATOM 1191 C ALA A 77 13.625 -0.194 -1.278 1.00 0.00 C ATOM 1192 O ALA A 77 13.543 -0.330 -0.061 1.00 0.00 O ATOM 1193 CB ALA A 77 13.226 -1.923 -3.078 1.00 0.00 C ATOM 0 H ALA A 77 12.031 0.051 -3.976 1.00 0.00 H new ATOM 0 HA ALA A 77 11.853 -1.379 -1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.726 -2.669 -2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.456 -2.406 -3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.955 -1.449 -3.735 1.00 0.00 H new ATOM 1199 N ALA A 78 14.564 0.565 -1.859 1.00 0.00 N ATOM 1200 CA ALA A 78 15.627 1.264 -1.133 1.00 0.00 C ATOM 1201 C ALA A 78 15.059 2.136 -0.015 1.00 0.00 C ATOM 1202 O ALA A 78 15.565 2.118 1.112 1.00 0.00 O ATOM 1203 CB ALA A 78 16.445 2.128 -2.102 1.00 0.00 C ATOM 0 H ALA A 78 14.605 0.712 -2.868 1.00 0.00 H new ATOM 0 HA ALA A 78 16.273 0.512 -0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.233 2.644 -1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.892 1.493 -2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.792 2.862 -2.575 1.00 0.00 H new ATOM 1209 N ILE A 79 13.996 2.873 -0.332 1.00 0.00 N ATOM 1210 CA ILE A 79 13.269 3.778 0.545 1.00 0.00 C ATOM 1211 C ILE A 79 12.828 3.091 1.841 1.00 0.00 C ATOM 1212 O ILE A 79 12.815 3.747 2.884 1.00 0.00 O ATOM 1213 CB ILE A 79 12.088 4.357 -0.275 1.00 0.00 C ATOM 1214 CG1 ILE A 79 12.580 5.608 -1.032 1.00 0.00 C ATOM 1215 CG2 ILE A 79 10.815 4.660 0.526 1.00 0.00 C ATOM 1216 CD1 ILE A 79 11.567 6.174 -2.034 1.00 0.00 C ATOM 0 H ILE A 79 13.597 2.850 -1.270 1.00 0.00 H new ATOM 0 HA ILE A 79 13.912 4.592 0.879 1.00 0.00 H new ATOM 0 HB ILE A 79 11.778 3.574 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 79 12.829 6.383 -0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.499 5.360 -1.562 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.052 5.060 -0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.449 3.743 0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.039 5.392 1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 79 11.990 7.051 -2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.335 5.417 -2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.655 6.456 -1.509 1.00 0.00 H new ATOM 1228 N ALA A 80 12.500 1.793 1.805 1.00 0.00 N ATOM 1229 CA ALA A 80 12.036 1.067 2.978 1.00 0.00 C ATOM 1230 C ALA A 80 12.967 -0.048 3.471 1.00 0.00 C ATOM 1231 O ALA A 80 12.739 -0.575 4.558 1.00 0.00 O ATOM 1232 CB ALA A 80 10.615 0.621 2.658 1.00 0.00 C ATOM 0 H ALA A 80 12.551 1.224 0.960 1.00 0.00 H new ATOM 0 HA ALA A 80 12.045 1.721 3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.208 0.067 3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.994 1.496 2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.625 -0.020 1.776 1.00 0.00 H new ATOM 1238 N ALA A 81 14.029 -0.380 2.732 1.00 0.00 N ATOM 1239 CA ALA A 81 14.996 -1.407 3.104 1.00 0.00 C ATOM 1240 C ALA A 81 15.699 -1.024 4.431 1.00 0.00 C ATOM 1241 O ALA A 81 15.719 0.166 4.789 1.00 0.00 O ATOM 1242 CB ALA A 81 15.990 -1.560 1.942 1.00 0.00 C ATOM 0 H ALA A 81 14.242 0.069 1.841 1.00 0.00 H new ATOM 0 HA ALA A 81 14.504 -2.364 3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.727 -2.323 2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.453 -1.855 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.496 -0.610 1.768 1.00 0.00 H new ATOM 1248 N PRO A 82 16.335 -1.957 5.166 1.00 0.00 N ATOM 1249 CA PRO A 82 16.492 -3.388 4.893 1.00 0.00 C ATOM 1250 C PRO A 82 15.222 -4.239 5.042 1.00 0.00 C ATOM 1251 O PRO A 82 15.313 -5.436 4.770 1.00 0.00 O ATOM 1252 CB PRO A 82 17.583 -3.865 5.859 1.00 0.00 C ATOM 1253 CG PRO A 82 17.419 -2.935 7.054 1.00 0.00 C ATOM 1254 CD PRO A 82 17.049 -1.619 6.389 1.00 0.00 C ATOM 0 HA PRO A 82 16.748 -3.516 3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.445 -4.909 6.139 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.576 -3.782 5.418 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.641 -3.280 7.735 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.337 -2.853 7.635 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.425 -1.014 7.047 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.941 -1.033 6.168 1.00 0.00 H new ATOM 1262 N ALA A 83 14.077 -3.668 5.434 1.00 0.00 N ATOM 1263 CA ALA A 83 12.838 -4.424 5.584 1.00 0.00 C ATOM 1264 C ALA A 83 12.444 -5.116 4.272 1.00 0.00 C ATOM 1265 O ALA A 83 12.920 -4.770 3.185 1.00 0.00 O ATOM 1266 CB ALA A 83 11.720 -3.480 6.043 1.00 0.00 C ATOM 0 H ALA A 83 13.988 -2.676 5.654 1.00 0.00 H new ATOM 0 HA ALA A 83 12.993 -5.201 6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.793 -4.042 6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.992 -3.032 6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.580 -2.694 5.301 1.00 0.00 H new ATOM 1272 N GLU A 84 11.544 -6.090 4.374 1.00 0.00 N ATOM 1273 CA GLU A 84 11.024 -6.843 3.253 1.00 0.00 C ATOM 1274 C GLU A 84 9.881 -6.052 2.630 1.00 0.00 C ATOM 1275 O GLU A 84 8.889 -5.753 3.297 1.00 0.00 O ATOM 1276 CB GLU A 84 10.566 -8.226 3.720 1.00 0.00 C ATOM 1277 CG GLU A 84 11.688 -9.249 3.553 1.00 0.00 C ATOM 1278 CD GLU A 84 11.985 -9.557 2.077 1.00 0.00 C ATOM 1279 OE1 GLU A 84 12.767 -10.491 1.782 1.00 0.00 O ATOM 1280 OE2 GLU A 84 11.508 -8.833 1.177 1.00 0.00 O ATOM 0 H GLU A 84 11.149 -6.380 5.269 1.00 0.00 H new ATOM 0 HA GLU A 84 11.798 -6.995 2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.261 -8.180 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.693 -8.539 3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.592 -8.874 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.415 -10.171 4.066 1.00 0.00 H new ATOM 1287 N ILE A 85 10.030 -5.689 1.356 1.00 0.00 N ATOM 1288 CA ILE A 85 9.056 -4.903 0.610 1.00 0.00 C ATOM 1289 C ILE A 85 8.332 -5.780 -0.397 1.00 0.00 C ATOM 1290 O ILE A 85 8.941 -6.565 -1.126 1.00 0.00 O ATOM 1291 CB ILE A 85 9.767 -3.686 -0.054 1.00 0.00 C ATOM 1292 CG1 ILE A 85 9.885 -2.467 0.878 1.00 0.00 C ATOM 1293 CG2 ILE A 85 9.045 -3.195 -1.319 1.00 0.00 C ATOM 1294 CD1 ILE A 85 10.331 -2.828 2.293 1.00 0.00 C ATOM 0 H ILE A 85 10.851 -5.940 0.805 1.00 0.00 H new ATOM 0 HA ILE A 85 8.297 -4.510 1.286 1.00 0.00 H new ATOM 0 HB ILE A 85 10.757 -4.071 -0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.595 -1.759 0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.921 -1.961 0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.584 -2.346 -1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.008 -4.000 -2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.030 -2.890 -1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.394 -1.923 2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.609 -3.512 2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.309 -3.307 2.255 1.00 0.00 H new ATOM 1306 N PHE A 86 7.025 -5.552 -0.489 1.00 0.00 N ATOM 1307 CA PHE A 86 6.140 -6.247 -1.394 1.00 0.00 C ATOM 1308 C PHE A 86 5.273 -5.254 -2.142 1.00 0.00 C ATOM 1309 O PHE A 86 5.251 -4.059 -1.846 1.00 0.00 O ATOM 1310 CB PHE A 86 5.258 -7.254 -0.636 1.00 0.00 C ATOM 1311 CG PHE A 86 5.932 -8.371 0.135 1.00 0.00 C ATOM 1312 CD1 PHE A 86 6.669 -8.105 1.305 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.696 -9.707 -0.237 1.00 0.00 C ATOM 1314 CE1 PHE A 86 7.177 -9.160 2.075 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.205 -10.764 0.534 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.962 -10.490 1.681 1.00 0.00 C ATOM 0 H PHE A 86 6.547 -4.857 0.084 1.00 0.00 H new ATOM 0 HA PHE A 86 6.749 -6.798 -2.110 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.642 -6.692 0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.582 -7.711 -1.358 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.843 -7.084 1.610 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.118 -9.921 -1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.736 -8.949 2.975 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.014 -11.786 0.244 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.379 -11.300 2.261 1.00 0.00 H new ATOM 1326 N LEU A 87 4.577 -5.777 -3.142 1.00 0.00 N ATOM 1327 CA LEU A 87 3.666 -5.047 -3.995 1.00 0.00 C ATOM 1328 C LEU A 87 2.369 -5.825 -3.930 1.00 0.00 C ATOM 1329 O LEU A 87 2.387 -7.009 -4.253 1.00 0.00 O ATOM 1330 CB LEU A 87 4.178 -5.018 -5.442 1.00 0.00 C ATOM 1331 CG LEU A 87 4.529 -3.609 -5.926 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.927 -3.151 -5.493 1.00 0.00 C ATOM 1333 CD2 LEU A 87 4.462 -3.593 -7.448 1.00 0.00 C ATOM 0 H LEU A 87 4.639 -6.765 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 87 3.555 -4.011 -3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.060 -5.653 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.419 -5.443 -6.099 1.00 0.00 H new ATOM 0 HG LEU A 87 3.812 -2.922 -5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.113 -2.145 -5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.988 -3.149 -4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.675 -3.833 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.709 -2.596 -7.813 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.174 -4.314 -7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.455 -3.858 -7.771 1.00 0.00 H new ATOM 1345 N LEU A 88 1.299 -5.200 -3.449 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.003 -5.850 -3.366 1.00 0.00 C ATOM 1347 C LEU A 88 -0.699 -5.594 -4.697 1.00 0.00 C ATOM 1348 O LEU A 88 -1.339 -4.549 -4.859 1.00 0.00 O ATOM 1349 CB LEU A 88 -0.798 -5.349 -2.150 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.288 -5.782 -2.135 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.536 -7.275 -2.380 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -2.905 -5.363 -0.796 1.00 0.00 C ATOM 0 H LEU A 88 1.309 -4.238 -3.109 1.00 0.00 H new ATOM 0 HA LEU A 88 0.089 -6.924 -3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.317 -5.713 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.748 -4.260 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.762 -5.278 -2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.607 -7.476 -2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.142 -7.554 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.036 -7.859 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.953 -5.660 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.369 -5.849 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.832 -4.281 -0.684 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.527 -6.535 -5.627 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.072 -6.563 -6.984 1.00 0.00 C ATOM 1366 C GLU A 89 -1.014 -5.175 -7.644 1.00 0.00 C ATOM 1367 O GLU A 89 -0.013 -4.464 -7.493 1.00 0.00 O ATOM 1368 CB GLU A 89 -2.462 -7.226 -6.933 1.00 0.00 C ATOM 1369 CG GLU A 89 -2.847 -7.962 -8.226 1.00 0.00 C ATOM 1370 CD GLU A 89 -2.093 -9.278 -8.460 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -1.109 -9.582 -7.752 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -2.502 -10.025 -9.375 1.00 0.00 O ATOM 0 H GLU A 89 0.041 -7.360 -5.435 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.460 -7.175 -7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.487 -7.932 -6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.211 -6.462 -6.724 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.917 -8.170 -8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.667 -7.300 -9.073 1.00 0.00 H new ATOM 1379 N ASP A 90 -2.030 -4.780 -8.417 1.00 0.00 N ATOM 1380 CA ASP A 90 -2.107 -3.475 -9.080 1.00 0.00 C ATOM 1381 C ASP A 90 -2.808 -2.502 -8.165 1.00 0.00 C ATOM 1382 O ASP A 90 -3.782 -1.825 -8.497 1.00 0.00 O ATOM 1383 CB ASP A 90 -2.715 -3.575 -10.483 1.00 0.00 C ATOM 1384 CG ASP A 90 -1.617 -3.680 -11.520 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -0.669 -2.866 -11.471 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -1.725 -4.577 -12.391 1.00 0.00 O ATOM 0 H ASP A 90 -2.840 -5.372 -8.603 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.103 -3.090 -9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.368 -4.446 -10.544 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.333 -2.699 -10.683 1.00 0.00 H new ATOM 1391 N GLY A 91 -2.245 -2.399 -6.973 1.00 0.00 N ATOM 1392 CA GLY A 91 -2.756 -1.537 -5.963 1.00 0.00 C ATOM 1393 C GLY A 91 -4.149 -2.010 -5.588 1.00 0.00 C ATOM 1394 O GLY A 91 -4.329 -3.162 -5.197 1.00 0.00 O ATOM 0 H GLY A 91 -1.415 -2.922 -6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.104 -1.548 -5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.789 -0.509 -6.323 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.120 -1.110 -5.696 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.533 -1.345 -5.361 1.00 0.00 C ATOM 1400 C ILE A 92 -7.088 -2.580 -6.081 1.00 0.00 C ATOM 1401 O ILE A 92 -8.036 -3.204 -5.599 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.336 -0.037 -5.576 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.173 0.896 -4.357 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -8.824 -0.216 -5.919 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -7.961 0.505 -3.103 1.00 0.00 C ATOM 0 H ILE A 92 -4.946 -0.162 -6.030 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.635 -1.596 -4.305 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.901 0.413 -6.468 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.115 0.941 -4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.473 1.902 -4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.288 0.762 -6.048 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.918 -0.787 -6.843 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.322 -0.750 -5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.770 1.231 -2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.026 0.490 -3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.648 -0.485 -2.770 1.00 0.00 H new ATOM 1417 N ASP A 93 -6.484 -2.943 -7.214 1.00 0.00 N ATOM 1418 CA ASP A 93 -6.836 -4.102 -8.018 1.00 0.00 C ATOM 1419 C ASP A 93 -6.848 -5.346 -7.134 1.00 0.00 C ATOM 1420 O ASP A 93 -7.823 -6.087 -7.130 1.00 0.00 O ATOM 1421 CB ASP A 93 -5.778 -4.237 -9.108 1.00 0.00 C ATOM 1422 CG ASP A 93 -6.013 -5.428 -10.023 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -6.983 -5.376 -10.801 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -5.141 -6.329 -10.064 1.00 0.00 O ATOM 0 H ASP A 93 -5.706 -2.413 -7.607 1.00 0.00 H new ATOM 0 HA ASP A 93 -7.825 -3.989 -8.463 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.762 -3.325 -9.705 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.796 -4.331 -8.644 1.00 0.00 H new ATOM 1429 N GLY A 94 -5.790 -5.533 -6.337 1.00 0.00 N ATOM 1430 CA GLY A 94 -5.610 -6.660 -5.438 1.00 0.00 C ATOM 1431 C GLY A 94 -6.723 -6.790 -4.407 1.00 0.00 C ATOM 1432 O GLY A 94 -7.463 -7.770 -4.435 1.00 0.00 O ATOM 0 H GLY A 94 -5.011 -4.875 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.557 -7.578 -6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.656 -6.555 -4.922 1.00 0.00 H new ATOM 1436 N TRP A 95 -6.852 -5.817 -3.503 1.00 0.00 N ATOM 1437 CA TRP A 95 -7.859 -5.821 -2.450 1.00 0.00 C ATOM 1438 C TRP A 95 -9.252 -6.159 -3.016 1.00 0.00 C ATOM 1439 O TRP A 95 -9.968 -7.024 -2.501 1.00 0.00 O ATOM 1440 CB TRP A 95 -7.881 -4.460 -1.759 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.803 -4.347 -0.593 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.721 -3.379 -0.419 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -8.855 -5.174 0.605 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -10.320 -3.546 0.813 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -9.757 -4.576 1.527 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -8.146 -6.307 1.048 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -9.926 -5.053 2.837 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -8.267 -6.760 2.369 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -9.173 -6.161 3.263 1.00 0.00 C ATOM 0 H TRP A 95 -6.249 -4.994 -3.485 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.600 -6.591 -1.723 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.870 -4.225 -1.425 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.158 -3.704 -2.493 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -9.952 -2.598 -1.128 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -11.091 -2.972 1.154 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.500 -6.834 0.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.625 -4.575 3.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -7.654 -7.583 2.706 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -9.289 -6.548 4.265 1.00 0.00 H new ATOM 1460 N LYS A 96 -9.639 -5.470 -4.102 1.00 0.00 N ATOM 1461 CA LYS A 96 -10.932 -5.671 -4.750 1.00 0.00 C ATOM 1462 C LYS A 96 -11.027 -7.038 -5.432 1.00 0.00 C ATOM 1463 O LYS A 96 -12.125 -7.592 -5.475 1.00 0.00 O ATOM 1464 CB LYS A 96 -11.190 -4.539 -5.757 1.00 0.00 C ATOM 1465 CG LYS A 96 -12.649 -4.543 -6.251 1.00 0.00 C ATOM 1466 CD LYS A 96 -12.835 -3.676 -7.497 1.00 0.00 C ATOM 1467 CE LYS A 96 -14.043 -4.173 -8.292 1.00 0.00 C ATOM 1468 NZ LYS A 96 -14.116 -3.551 -9.628 1.00 0.00 N ATOM 0 H LYS A 96 -9.060 -4.760 -4.550 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.702 -5.649 -3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.965 -3.579 -5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.517 -4.647 -6.607 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.954 -5.566 -6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.302 -4.181 -5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.980 -2.635 -7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.939 -3.714 -8.116 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.987 -5.256 -8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.957 -3.954 -7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.948 -3.914 -10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.195 -2.519 -9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.256 -3.781 -10.165 1.00 0.00 H new ATOM 1482 N LYS A 97 -9.931 -7.633 -5.912 1.00 0.00 N ATOM 1483 CA LYS A 97 -9.948 -8.938 -6.578 1.00 0.00 C ATOM 1484 C LYS A 97 -10.630 -9.978 -5.691 1.00 0.00 C ATOM 1485 O LYS A 97 -11.507 -10.699 -6.171 1.00 0.00 O ATOM 1486 CB LYS A 97 -8.516 -9.357 -6.961 1.00 0.00 C ATOM 1487 CG LYS A 97 -8.418 -10.092 -8.306 1.00 0.00 C ATOM 1488 CD LYS A 97 -8.101 -11.575 -8.128 1.00 0.00 C ATOM 1489 CE LYS A 97 -7.999 -12.241 -9.502 1.00 0.00 C ATOM 1490 NZ LYS A 97 -7.605 -13.651 -9.368 1.00 0.00 N ATOM 0 H LYS A 97 -9.001 -7.219 -5.849 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.527 -8.865 -7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.886 -8.468 -6.998 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.115 -10.000 -6.177 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.358 -9.985 -8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.644 -9.627 -8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.165 -11.695 -7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.879 -12.056 -7.535 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.958 -12.173 -10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.270 -11.711 -10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.541 -14.085 -10.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.680 -13.710 -8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.315 -14.157 -8.801 1.00 0.00 H new ATOM 1504 N ALA A 98 -10.268 -10.029 -4.403 1.00 0.00 N ATOM 1505 CA ALA A 98 -10.852 -10.958 -3.436 1.00 0.00 C ATOM 1506 C ALA A 98 -12.280 -10.534 -3.030 1.00 0.00 C ATOM 1507 O ALA A 98 -13.017 -11.315 -2.425 1.00 0.00 O ATOM 1508 CB ALA A 98 -9.930 -11.047 -2.217 1.00 0.00 C ATOM 0 H ALA A 98 -9.555 -9.420 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.941 -11.942 -3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.355 -11.737 -1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.949 -11.407 -2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.828 -10.060 -1.765 1.00 0.00 H new ATOM 1514 N GLY A 99 -12.685 -9.301 -3.357 1.00 0.00 N ATOM 1515 CA GLY A 99 -13.991 -8.709 -3.090 1.00 0.00 C ATOM 1516 C GLY A 99 -14.094 -7.970 -1.769 1.00 0.00 C ATOM 1517 O GLY A 99 -15.210 -7.697 -1.314 1.00 0.00 O ATOM 0 H GLY A 99 -12.067 -8.654 -3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.233 -8.018 -3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.743 -9.498 -3.109 1.00 0.00 H new ATOM 1521 N LEU A 100 -12.974 -7.620 -1.142 1.00 0.00 N ATOM 1522 CA LEU A 100 -13.011 -6.929 0.132 1.00 0.00 C ATOM 1523 C LEU A 100 -13.250 -5.426 -0.074 1.00 0.00 C ATOM 1524 O LEU A 100 -12.626 -4.813 -0.946 1.00 0.00 O ATOM 1525 CB LEU A 100 -11.704 -7.189 0.881 1.00 0.00 C ATOM 1526 CG LEU A 100 -11.568 -8.660 1.333 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -10.160 -9.199 1.070 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -11.906 -8.804 2.822 1.00 0.00 C ATOM 0 H LEU A 100 -12.036 -7.805 -1.498 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.840 -7.309 0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.862 -6.930 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.652 -6.537 1.753 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.276 -9.246 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.100 -10.236 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.943 -9.144 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.433 -8.601 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.804 -9.848 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.224 -8.191 3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.931 -8.476 2.996 1.00 0.00 H new ATOM 1540 N PRO A 101 -14.163 -4.806 0.691 1.00 0.00 N ATOM 1541 CA PRO A 101 -14.445 -3.384 0.598 1.00 0.00 C ATOM 1542 C PRO A 101 -13.344 -2.615 1.342 1.00 0.00 C ATOM 1543 O PRO A 101 -12.767 -3.098 2.319 1.00 0.00 O ATOM 1544 CB PRO A 101 -15.807 -3.211 1.274 1.00 0.00 C ATOM 1545 CG PRO A 101 -15.805 -4.298 2.350 1.00 0.00 C ATOM 1546 CD PRO A 101 -14.971 -5.418 1.730 1.00 0.00 C ATOM 0 HA PRO A 101 -14.467 -3.007 -0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.918 -2.217 1.707 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.627 -3.345 0.568 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.366 -3.940 3.281 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -16.816 -4.633 2.583 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.341 -5.893 2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.613 -6.195 1.315 1.00 0.00 H new ATOM 1554 N VAL A 102 -13.018 -1.413 0.884 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.024 -0.512 1.441 1.00 0.00 C ATOM 1556 C VAL A 102 -12.624 0.212 2.656 1.00 0.00 C ATOM 1557 O VAL A 102 -13.824 0.070 2.924 1.00 0.00 O ATOM 1558 CB VAL A 102 -11.709 0.501 0.321 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -10.866 -0.127 -0.792 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -12.997 1.036 -0.334 1.00 0.00 C ATOM 0 H VAL A 102 -13.472 -1.019 0.060 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.126 -1.035 1.770 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.158 1.310 0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.666 0.619 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.923 -0.483 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.408 -0.964 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.738 1.747 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.557 0.207 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.609 1.533 0.419 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.827 1.001 3.386 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.332 1.759 4.532 1.00 0.00 C ATOM 1572 C ALA A 103 -12.991 3.046 4.005 1.00 0.00 C ATOM 1573 O ALA A 103 -12.442 4.143 4.131 1.00 0.00 O ATOM 1574 CB ALA A 103 -11.218 2.060 5.536 1.00 0.00 C ATOM 0 H ALA A 103 -10.832 1.130 3.202 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.073 1.167 5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.627 2.624 6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.794 1.124 5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.439 2.647 5.050 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.127 2.907 3.322 1.00 0.00 N ATOM 1581 CA VAL A 104 -14.873 4.031 2.764 1.00 0.00 C ATOM 1582 C VAL A 104 -15.703 4.708 3.861 1.00 0.00 C ATOM 1583 O VAL A 104 -15.953 4.140 4.932 1.00 0.00 O ATOM 1584 CB VAL A 104 -15.849 3.558 1.650 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -15.170 3.605 0.280 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.474 2.173 1.899 1.00 0.00 C ATOM 0 H VAL A 104 -14.558 2.001 3.140 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.148 4.728 2.344 1.00 0.00 H new ATOM 0 HB VAL A 104 -16.680 4.263 1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.871 3.270 -0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.858 4.627 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.297 2.952 0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.141 1.921 1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.684 1.425 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.040 2.191 2.831 1.00 0.00 H new ATOM 1596 N ASN A 105 -16.139 5.936 3.591 1.00 0.00 N ATOM 1597 CA ASN A 105 -16.977 6.703 4.498 1.00 0.00 C ATOM 1598 C ASN A 105 -18.397 6.226 4.206 1.00 0.00 C ATOM 1599 O ASN A 105 -18.897 6.392 3.092 1.00 0.00 O ATOM 1600 CB ASN A 105 -16.797 8.202 4.267 1.00 0.00 C ATOM 1601 CG ASN A 105 -15.464 8.674 4.822 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -14.462 8.777 4.118 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -15.404 8.879 6.129 1.00 0.00 N ATOM 0 H ASN A 105 -15.916 6.428 2.726 1.00 0.00 H new ATOM 0 HA ASN A 105 -16.721 6.550 5.546 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.850 8.420 3.200 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -17.610 8.749 4.745 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -14.516 9.127 6.566 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -16.245 8.789 6.698 1.00 0.00 H new ATOM 1610 N LYS A 106 -19.024 5.559 5.175 1.00 0.00 N ATOM 1611 CA LYS A 106 -20.372 5.016 5.039 1.00 0.00 C ATOM 1612 C LYS A 106 -21.402 6.120 4.795 1.00 0.00 C ATOM 1613 O LYS A 106 -21.409 7.133 5.503 1.00 0.00 O ATOM 1614 CB LYS A 106 -20.716 4.175 6.293 1.00 0.00 C ATOM 1615 CG LYS A 106 -21.064 2.721 5.969 1.00 0.00 C ATOM 1616 CD LYS A 106 -22.489 2.545 5.429 1.00 0.00 C ATOM 1617 CE LYS A 106 -22.498 1.195 4.718 1.00 0.00 C ATOM 1618 NZ LYS A 106 -23.785 0.849 4.090 1.00 0.00 N ATOM 0 H LYS A 106 -18.603 5.379 6.087 1.00 0.00 H new ATOM 0 HA LYS A 106 -20.405 4.367 4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -19.869 4.195 6.979 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -21.557 4.636 6.812 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -20.355 2.340 5.234 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -20.947 2.117 6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -23.219 2.566 6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -22.750 3.351 4.743 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -21.722 1.196 3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -22.237 0.418 5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -23.708 -0.080 3.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -24.528 0.815 4.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -24.029 1.568 3.380 1.00 0.00 H new ATOM 1632 N SER A 107 -22.273 5.925 3.815 1.00 0.00 N ATOM 1633 CA SER A 107 -23.352 6.831 3.450 1.00 0.00 C ATOM 1634 C SER A 107 -24.568 5.955 3.141 1.00 0.00 C ATOM 1635 O SER A 107 -24.489 4.726 3.250 1.00 0.00 O ATOM 1636 CB SER A 107 -22.927 7.755 2.299 1.00 0.00 C ATOM 1637 OG SER A 107 -22.517 7.044 1.143 1.00 0.00 O ATOM 0 H SER A 107 -22.245 5.093 3.226 1.00 0.00 H new ATOM 0 HA SER A 107 -23.610 7.516 4.258 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.758 8.411 2.040 1.00 0.00 H new ATOM 0 HB3 SER A 107 -22.110 8.394 2.635 1.00 0.00 H new ATOM 0 HG SER A 107 -22.259 7.679 0.443 1.00 0.00 H new ATOM 1643 N GLN A 108 -25.716 6.537 2.797 1.00 0.00 N ATOM 1644 CA GLN A 108 -26.918 5.777 2.478 1.00 0.00 C ATOM 1645 C GLN A 108 -27.402 6.291 1.150 1.00 0.00 C ATOM 1646 O GLN A 108 -27.177 5.560 0.163 1.00 0.00 O ATOM 1647 CB GLN A 108 -27.937 5.806 3.628 1.00 0.00 C ATOM 1648 CG GLN A 108 -27.301 5.171 4.878 1.00 0.00 C ATOM 1649 CD GLN A 108 -28.276 4.934 6.021 1.00 0.00 C ATOM 1650 OE1 GLN A 108 -28.244 5.612 7.048 1.00 0.00 O ATOM 1651 NE2 GLN A 108 -29.113 3.918 5.905 1.00 0.00 N ATOM 0 H GLN A 108 -25.836 7.548 2.732 1.00 0.00 H new ATOM 0 HA GLN A 108 -26.724 4.709 2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -28.238 6.832 3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -28.838 5.261 3.346 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -26.848 4.220 4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -26.496 5.816 5.230 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -29.128 3.365 5.048 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -29.744 3.687 6.672 1.00 0.00 H new TER 1660 GLN A 108