USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 867 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ -160:sc= -0.212 (180deg=-0.928) USER MOD Single : A 2 THR OG1 : rot -69:sc= 1.03 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.733 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 51 THR OG1 : rot -80:sc= -1.06 USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0455) USER MOD Single : A 66 SER OG : rot 180:sc= -0.527 USER MOD Single : A 67 SER OG : rot -74:sc= 1.1 USER MOD Single : A 68 LYS NZ :NH3+ 126:sc= -0.18 (180deg=-0.972) USER MOD Single : A 72 THR OG1 : rot -156:sc= -0.819 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.48! K(o=-2.5!,f=-0.71) USER MOD Single : A 89 SER OG : rot 18:sc= 0.462 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.687 K(o=-0.69,f=-2.5!) USER MOD Single : A 98 HIS : no HD1:sc= -0.305 X(o=-0.31,f=-0.61) USER MOD Single : A 99 CYS SG : rot 180:sc= -0.185 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 22.426 -10.800 0.288 1.00 0.00 N ATOM 2 CA VAL A 1 21.249 -9.953 0.632 1.00 0.00 C ATOM 3 C VAL A 1 21.617 -8.478 0.463 1.00 0.00 C ATOM 4 O VAL A 1 22.681 -8.044 0.858 1.00 0.00 O ATOM 5 CB VAL A 1 20.838 -10.214 2.080 1.00 0.00 C ATOM 6 CG1 VAL A 1 19.501 -9.529 2.365 1.00 0.00 C ATOM 7 CG2 VAL A 1 20.696 -11.722 2.306 1.00 0.00 C ATOM 0 H1 VAL A 1 22.107 -11.766 0.071 1.00 0.00 H new ATOM 0 H2 VAL A 1 22.910 -10.401 -0.541 1.00 0.00 H new ATOM 0 H3 VAL A 1 23.083 -10.825 1.094 1.00 0.00 H new ATOM 0 HA VAL A 1 20.418 -10.199 -0.030 1.00 0.00 H new ATOM 0 HB VAL A 1 21.600 -9.815 2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 1 19.209 -9.716 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 1 19.601 -8.455 2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 1 18.739 -9.926 1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 1 20.403 -11.909 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 1 19.935 -12.120 1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 1 21.649 -12.211 2.105 1.00 0.00 H new ATOM 19 N THR A 2 20.745 -7.703 -0.121 1.00 0.00 N ATOM 20 CA THR A 2 21.046 -6.256 -0.314 1.00 0.00 C ATOM 21 C THR A 2 20.029 -5.653 -1.287 1.00 0.00 C ATOM 22 O THR A 2 20.369 -4.865 -2.147 1.00 0.00 O ATOM 23 CB THR A 2 22.459 -6.101 -0.882 1.00 0.00 C ATOM 24 OG1 THR A 2 22.594 -4.819 -1.477 1.00 0.00 O ATOM 25 CG2 THR A 2 22.710 -7.184 -1.933 1.00 0.00 C ATOM 0 H THR A 2 19.838 -8.009 -0.473 1.00 0.00 H new ATOM 0 HA THR A 2 20.984 -5.737 0.643 1.00 0.00 H new ATOM 0 HB THR A 2 23.186 -6.204 -0.077 1.00 0.00 H new ATOM 0 HG1 THR A 2 22.043 -4.774 -2.286 1.00 0.00 H new ATOM 0 HG21 THR A 2 23.716 -7.073 -2.337 1.00 0.00 H new ATOM 0 HG22 THR A 2 22.610 -8.167 -1.473 1.00 0.00 H new ATOM 0 HG23 THR A 2 21.983 -7.085 -2.739 1.00 0.00 H new ATOM 33 N ALA A 3 18.784 -6.016 -1.155 1.00 0.00 N ATOM 34 CA ALA A 3 17.745 -5.465 -2.070 1.00 0.00 C ATOM 35 C ALA A 3 16.380 -5.515 -1.379 1.00 0.00 C ATOM 36 O ALA A 3 15.892 -6.571 -1.025 1.00 0.00 O ATOM 37 CB ALA A 3 17.701 -6.300 -3.352 1.00 0.00 C ATOM 0 H ALA A 3 18.440 -6.671 -0.453 1.00 0.00 H new ATOM 0 HA ALA A 3 17.988 -4.432 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 3 16.941 -5.898 -4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 3 18.674 -6.264 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 3 17.457 -7.333 -3.105 1.00 0.00 H new ATOM 43 N GLU A 4 15.760 -4.384 -1.182 1.00 0.00 N ATOM 44 CA GLU A 4 14.428 -4.370 -0.512 1.00 0.00 C ATOM 45 C GLU A 4 13.629 -3.155 -0.987 1.00 0.00 C ATOM 46 O GLU A 4 14.184 -2.163 -1.417 1.00 0.00 O ATOM 47 CB GLU A 4 14.621 -4.291 1.005 1.00 0.00 C ATOM 48 CG GLU A 4 15.572 -3.141 1.341 1.00 0.00 C ATOM 49 CD GLU A 4 15.674 -2.993 2.860 1.00 0.00 C ATOM 50 OE1 GLU A 4 14.639 -2.870 3.494 1.00 0.00 O ATOM 51 OE2 GLU A 4 16.785 -3.003 3.363 1.00 0.00 O ATOM 0 H GLU A 4 16.118 -3.469 -1.456 1.00 0.00 H new ATOM 0 HA GLU A 4 13.886 -5.282 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.660 -4.138 1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 4 15.024 -5.232 1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 4 16.557 -3.333 0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.210 -2.213 0.898 1.00 0.00 H new ATOM 58 N ILE A 5 12.328 -3.222 -0.911 1.00 0.00 N ATOM 59 CA ILE A 5 11.494 -2.071 -1.357 1.00 0.00 C ATOM 60 C ILE A 5 10.493 -1.708 -0.258 1.00 0.00 C ATOM 61 O ILE A 5 10.038 -2.556 0.485 1.00 0.00 O ATOM 62 CB ILE A 5 10.733 -2.453 -2.628 1.00 0.00 C ATOM 63 CG1 ILE A 5 10.140 -3.855 -2.464 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.690 -2.441 -3.821 1.00 0.00 C ATOM 65 CD1 ILE A 5 9.294 -4.200 -3.690 1.00 0.00 C ATOM 0 H ILE A 5 11.807 -4.025 -0.559 1.00 0.00 H new ATOM 0 HA ILE A 5 12.139 -1.216 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 5 9.931 -1.735 -2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.939 -4.587 -2.343 1.00 0.00 H new ATOM 0 HG13 ILE A 5 9.528 -3.899 -1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.147 -2.713 -4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 5 12.113 -1.443 -3.938 1.00 0.00 H new ATOM 0 HG23 ILE A 5 12.493 -3.158 -3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.872 -5.198 -3.572 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.487 -3.475 -3.791 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.919 -4.173 -4.583 1.00 0.00 H new ATOM 77 N ARG A 6 10.144 -0.456 -0.152 1.00 0.00 N ATOM 78 CA ARG A 6 9.169 -0.039 0.895 1.00 0.00 C ATOM 79 C ARG A 6 7.876 0.429 0.223 1.00 0.00 C ATOM 80 O ARG A 6 7.837 1.463 -0.415 1.00 0.00 O ATOM 81 CB ARG A 6 9.760 1.109 1.718 1.00 0.00 C ATOM 82 CG ARG A 6 10.222 0.578 3.077 1.00 0.00 C ATOM 83 CD ARG A 6 11.598 -0.076 2.931 1.00 0.00 C ATOM 84 NE ARG A 6 12.449 0.294 4.097 1.00 0.00 N ATOM 85 CZ ARG A 6 13.562 0.948 3.911 1.00 0.00 C ATOM 86 NH1 ARG A 6 14.418 0.535 3.015 1.00 0.00 N ATOM 87 NH2 ARG A 6 13.820 2.012 4.619 1.00 0.00 N ATOM 0 H ARG A 6 10.492 0.297 -0.745 1.00 0.00 H new ATOM 0 HA ARG A 6 8.957 -0.882 1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.599 1.557 1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.015 1.893 1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.270 1.392 3.800 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.503 -0.146 3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.493 -1.159 2.873 1.00 0.00 H new ATOM 0 HD3 ARG A 6 12.071 0.249 2.004 1.00 0.00 H new ATOM 0 HE ARG A 6 12.161 0.036 5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 6 14.216 -0.298 2.462 1.00 0.00 H new ATOM 0 HH12 ARG A 6 15.289 1.045 2.868 1.00 0.00 H new ATOM 0 HH21 ARG A 6 13.151 2.333 5.319 1.00 0.00 H new ATOM 0 HH22 ARG A 6 14.691 2.523 4.473 1.00 0.00 H new ATOM 101 N LEU A 7 6.820 -0.326 0.354 1.00 0.00 N ATOM 102 CA LEU A 7 5.535 0.076 -0.284 1.00 0.00 C ATOM 103 C LEU A 7 4.467 0.285 0.791 1.00 0.00 C ATOM 104 O LEU A 7 4.667 -0.022 1.950 1.00 0.00 O ATOM 105 CB LEU A 7 5.078 -1.024 -1.244 1.00 0.00 C ATOM 106 CG LEU A 7 6.193 -1.328 -2.245 1.00 0.00 C ATOM 107 CD1 LEU A 7 6.726 -2.741 -2.000 1.00 0.00 C ATOM 108 CD2 LEU A 7 5.638 -1.232 -3.668 1.00 0.00 C ATOM 0 H LEU A 7 6.791 -1.203 0.875 1.00 0.00 H new ATOM 0 HA LEU A 7 5.682 1.006 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.822 -1.924 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.178 -0.709 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 7 7.002 -0.608 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.521 -2.959 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.119 -2.811 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.918 -3.462 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.431 -1.448 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.830 -1.953 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.257 -0.226 -3.843 1.00 0.00 H new ATOM 120 N TYR A 8 3.332 0.804 0.412 1.00 0.00 N ATOM 121 CA TYR A 8 2.244 1.032 1.404 1.00 0.00 C ATOM 122 C TYR A 8 0.890 0.821 0.723 1.00 0.00 C ATOM 123 O TYR A 8 0.353 1.712 0.096 1.00 0.00 O ATOM 124 CB TYR A 8 2.328 2.465 1.937 1.00 0.00 C ATOM 125 CG TYR A 8 1.104 2.765 2.767 1.00 0.00 C ATOM 126 CD1 TYR A 8 0.949 2.173 4.028 1.00 0.00 C ATOM 127 CD2 TYR A 8 0.122 3.637 2.278 1.00 0.00 C ATOM 128 CE1 TYR A 8 -0.188 2.452 4.798 1.00 0.00 C ATOM 129 CE2 TYR A 8 -1.015 3.917 3.047 1.00 0.00 C ATOM 130 CZ TYR A 8 -1.170 3.324 4.308 1.00 0.00 C ATOM 131 OH TYR A 8 -2.289 3.599 5.067 1.00 0.00 O ATOM 0 H TYR A 8 3.111 1.081 -0.544 1.00 0.00 H new ATOM 0 HA TYR A 8 2.352 0.332 2.232 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.228 2.588 2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.400 3.169 1.108 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.706 1.502 4.406 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.242 4.094 1.307 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -0.308 1.995 5.769 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.771 4.589 2.669 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.869 4.222 4.581 1.00 0.00 H new ATOM 141 N ILE A 9 0.337 -0.355 0.838 1.00 0.00 N ATOM 142 CA ILE A 9 -0.979 -0.626 0.193 1.00 0.00 C ATOM 143 C ILE A 9 -2.104 -0.053 1.057 1.00 0.00 C ATOM 144 O ILE A 9 -2.140 -0.249 2.256 1.00 0.00 O ATOM 145 CB ILE A 9 -1.169 -2.136 0.042 1.00 0.00 C ATOM 146 CG1 ILE A 9 0.093 -2.748 -0.574 1.00 0.00 C ATOM 147 CG2 ILE A 9 -2.365 -2.413 -0.872 1.00 0.00 C ATOM 148 CD1 ILE A 9 0.762 -3.673 0.445 1.00 0.00 C ATOM 0 H ILE A 9 0.739 -1.140 1.350 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.005 -0.155 -0.790 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.350 -2.579 1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.163 -3.306 -1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.783 -1.959 -0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.500 -3.489 -0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.264 -1.976 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.184 -1.971 -1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.660 -4.108 0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.032 -3.101 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.071 -4.469 0.722 1.00 0.00 H new ATOM 160 N THR A 10 -3.022 0.654 0.457 1.00 0.00 N ATOM 161 CA THR A 10 -4.146 1.240 1.242 1.00 0.00 C ATOM 162 C THR A 10 -4.804 0.148 2.087 1.00 0.00 C ATOM 163 O THR A 10 -4.981 -0.971 1.644 1.00 0.00 O ATOM 164 CB THR A 10 -5.181 1.834 0.284 1.00 0.00 C ATOM 165 OG1 THR A 10 -5.186 1.088 -0.925 1.00 0.00 O ATOM 166 CG2 THR A 10 -4.828 3.292 -0.015 1.00 0.00 C ATOM 0 H THR A 10 -3.043 0.851 -0.543 1.00 0.00 H new ATOM 0 HA THR A 10 -3.762 2.023 1.896 1.00 0.00 H new ATOM 0 HB THR A 10 -6.168 1.790 0.743 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.849 1.466 -1.540 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.567 3.713 -0.697 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.825 3.863 0.913 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.841 3.340 -0.474 1.00 0.00 H new ATOM 174 N GLU A 11 -5.170 0.461 3.299 1.00 0.00 N ATOM 175 CA GLU A 11 -5.819 -0.562 4.167 1.00 0.00 C ATOM 176 C GLU A 11 -7.060 -1.111 3.460 1.00 0.00 C ATOM 177 O GLU A 11 -7.884 -0.367 2.967 1.00 0.00 O ATOM 178 CB GLU A 11 -6.232 0.080 5.493 1.00 0.00 C ATOM 179 CG GLU A 11 -5.006 0.220 6.398 1.00 0.00 C ATOM 180 CD GLU A 11 -5.293 1.248 7.492 1.00 0.00 C ATOM 181 OE1 GLU A 11 -5.067 2.423 7.248 1.00 0.00 O ATOM 182 OE2 GLU A 11 -5.734 0.846 8.555 1.00 0.00 O ATOM 0 H GLU A 11 -5.048 1.379 3.726 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.118 -1.374 4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.677 1.058 5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.991 -0.530 5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.759 -0.743 6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.141 0.530 5.811 1.00 0.00 H new ATOM 189 N GLY A 12 -7.200 -2.407 3.406 1.00 0.00 N ATOM 190 CA GLY A 12 -8.389 -2.997 2.730 1.00 0.00 C ATOM 191 C GLY A 12 -8.856 -4.233 3.500 1.00 0.00 C ATOM 192 O GLY A 12 -8.085 -4.885 4.175 1.00 0.00 O ATOM 0 H GLY A 12 -6.544 -3.081 3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.193 -2.263 2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.140 -3.268 1.704 1.00 0.00 H new ATOM 196 N GLU A 13 -10.116 -4.561 3.402 1.00 0.00 N ATOM 197 CA GLU A 13 -10.634 -5.754 4.126 1.00 0.00 C ATOM 198 C GLU A 13 -11.393 -6.650 3.145 1.00 0.00 C ATOM 199 O GLU A 13 -12.235 -7.437 3.531 1.00 0.00 O ATOM 200 CB GLU A 13 -11.578 -5.303 5.243 1.00 0.00 C ATOM 201 CG GLU A 13 -10.841 -5.342 6.582 1.00 0.00 C ATOM 202 CD GLU A 13 -11.804 -5.792 7.682 1.00 0.00 C ATOM 203 OE1 GLU A 13 -12.522 -4.950 8.193 1.00 0.00 O ATOM 204 OE2 GLU A 13 -11.806 -6.972 7.994 1.00 0.00 O ATOM 0 H GLU A 13 -10.808 -4.053 2.851 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.802 -6.309 4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.938 -4.294 5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.453 -5.952 5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.994 -6.026 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.439 -4.356 6.817 1.00 0.00 H new ATOM 211 N VAL A 14 -11.103 -6.535 1.879 1.00 0.00 N ATOM 212 CA VAL A 14 -11.806 -7.377 0.872 1.00 0.00 C ATOM 213 C VAL A 14 -10.961 -8.615 0.562 1.00 0.00 C ATOM 214 O VAL A 14 -9.759 -8.618 0.740 1.00 0.00 O ATOM 215 CB VAL A 14 -12.015 -6.568 -0.409 1.00 0.00 C ATOM 216 CG1 VAL A 14 -13.168 -7.171 -1.213 1.00 0.00 C ATOM 217 CG2 VAL A 14 -12.352 -5.119 -0.044 1.00 0.00 C ATOM 0 H VAL A 14 -10.408 -5.893 1.498 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.773 -7.688 1.268 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.104 -6.593 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.316 -6.594 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.931 -8.203 -1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.080 -7.146 -0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.502 -4.540 -0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.263 -5.097 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -11.531 -4.688 0.529 1.00 0.00 H new ATOM 227 N GLU A 15 -11.579 -9.667 0.100 1.00 0.00 N ATOM 228 CA GLU A 15 -10.808 -10.901 -0.219 1.00 0.00 C ATOM 229 C GLU A 15 -9.752 -10.580 -1.277 1.00 0.00 C ATOM 230 O GLU A 15 -8.789 -11.302 -1.447 1.00 0.00 O ATOM 231 CB GLU A 15 -11.761 -11.972 -0.753 1.00 0.00 C ATOM 232 CG GLU A 15 -10.958 -13.194 -1.205 1.00 0.00 C ATOM 233 CD GLU A 15 -10.225 -13.794 -0.004 1.00 0.00 C ATOM 234 OE1 GLU A 15 -10.790 -13.782 1.077 1.00 0.00 O ATOM 235 OE2 GLU A 15 -9.110 -14.256 -0.185 1.00 0.00 O ATOM 0 H GLU A 15 -12.583 -9.725 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.318 -11.270 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.473 -12.258 0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.339 -11.575 -1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.623 -13.936 -1.647 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.242 -12.908 -1.976 1.00 0.00 H new ATOM 242 N ASP A 16 -9.921 -9.499 -1.987 1.00 0.00 N ATOM 243 CA ASP A 16 -8.925 -9.130 -3.031 1.00 0.00 C ATOM 244 C ASP A 16 -7.613 -8.722 -2.359 1.00 0.00 C ATOM 245 O ASP A 16 -6.604 -9.386 -2.494 1.00 0.00 O ATOM 246 CB ASP A 16 -9.460 -7.957 -3.856 1.00 0.00 C ATOM 247 CG ASP A 16 -10.918 -8.223 -4.236 1.00 0.00 C ATOM 248 OD1 ASP A 16 -11.227 -9.358 -4.560 1.00 0.00 O ATOM 249 OD2 ASP A 16 -11.700 -7.288 -4.196 1.00 0.00 O ATOM 0 H ASP A 16 -10.706 -8.855 -1.889 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.750 -9.984 -3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.385 -7.032 -3.284 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.857 -7.826 -4.755 1.00 0.00 H new ATOM 254 N TYR A 17 -7.618 -7.637 -1.636 1.00 0.00 N ATOM 255 CA TYR A 17 -6.371 -7.191 -0.956 1.00 0.00 C ATOM 256 C TYR A 17 -5.720 -8.388 -0.259 1.00 0.00 C ATOM 257 O TYR A 17 -4.514 -8.465 -0.133 1.00 0.00 O ATOM 258 CB TYR A 17 -6.710 -6.119 0.081 1.00 0.00 C ATOM 259 CG TYR A 17 -5.440 -5.613 0.722 1.00 0.00 C ATOM 260 CD1 TYR A 17 -4.279 -5.453 -0.047 1.00 0.00 C ATOM 261 CD2 TYR A 17 -5.422 -5.303 2.089 1.00 0.00 C ATOM 262 CE1 TYR A 17 -3.101 -4.984 0.551 1.00 0.00 C ATOM 263 CE2 TYR A 17 -4.246 -4.833 2.687 1.00 0.00 C ATOM 264 CZ TYR A 17 -3.084 -4.673 1.917 1.00 0.00 C ATOM 265 OH TYR A 17 -1.925 -4.210 2.507 1.00 0.00 O ATOM 0 H TYR A 17 -8.432 -7.040 -1.487 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.682 -6.777 -1.692 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.243 -5.295 -0.394 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.373 -6.531 0.841 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.292 -5.691 -1.100 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.316 -5.427 2.682 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.206 -4.862 -0.041 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.234 -4.594 3.740 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.087 -4.042 3.459 1.00 0.00 H new ATOM 275 N ARG A 18 -6.510 -9.324 0.192 1.00 0.00 N ATOM 276 CA ARG A 18 -5.937 -10.516 0.877 1.00 0.00 C ATOM 277 C ARG A 18 -5.123 -11.336 -0.126 1.00 0.00 C ATOM 278 O ARG A 18 -3.975 -11.661 0.109 1.00 0.00 O ATOM 279 CB ARG A 18 -7.072 -11.375 1.439 1.00 0.00 C ATOM 280 CG ARG A 18 -6.523 -12.299 2.528 1.00 0.00 C ATOM 281 CD ARG A 18 -7.192 -11.966 3.863 1.00 0.00 C ATOM 282 NE ARG A 18 -7.391 -13.218 4.643 1.00 0.00 N ATOM 283 CZ ARG A 18 -6.429 -13.680 5.395 1.00 0.00 C ATOM 284 NH1 ARG A 18 -5.243 -13.880 4.886 1.00 0.00 N ATOM 285 NH2 ARG A 18 -6.652 -13.941 6.653 1.00 0.00 N ATOM 0 H ARG A 18 -7.527 -9.314 0.115 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.290 -10.193 1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.856 -10.738 1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.525 -11.964 0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.710 -13.340 2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.443 -12.180 2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.574 -11.267 4.427 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.150 -11.476 3.690 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.280 -13.715 4.590 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.069 -13.675 3.902 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.491 -14.241 5.472 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.578 -13.784 7.050 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.900 -14.302 7.240 1.00 0.00 H new ATOM 299 N VAL A 19 -5.705 -11.671 -1.245 1.00 0.00 N ATOM 300 CA VAL A 19 -4.962 -12.466 -2.262 1.00 0.00 C ATOM 301 C VAL A 19 -3.692 -11.714 -2.664 1.00 0.00 C ATOM 302 O VAL A 19 -2.679 -12.307 -2.976 1.00 0.00 O ATOM 303 CB VAL A 19 -5.844 -12.670 -3.494 1.00 0.00 C ATOM 304 CG1 VAL A 19 -5.034 -13.362 -4.593 1.00 0.00 C ATOM 305 CG2 VAL A 19 -7.046 -13.542 -3.123 1.00 0.00 C ATOM 0 H VAL A 19 -6.663 -11.428 -1.498 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.695 -13.436 -1.842 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.193 -11.702 -3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.663 -13.508 -5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.177 -12.742 -4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.684 -14.330 -4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.675 -13.687 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.696 -14.510 -2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.624 -13.051 -2.340 1.00 0.00 H new ATOM 315 N PHE A 20 -3.740 -10.410 -2.656 1.00 0.00 N ATOM 316 CA PHE A 20 -2.538 -9.616 -3.035 1.00 0.00 C ATOM 317 C PHE A 20 -1.465 -9.773 -1.955 1.00 0.00 C ATOM 318 O PHE A 20 -0.283 -9.811 -2.240 1.00 0.00 O ATOM 319 CB PHE A 20 -2.923 -8.142 -3.161 1.00 0.00 C ATOM 320 CG PHE A 20 -2.011 -7.465 -4.156 1.00 0.00 C ATOM 321 CD1 PHE A 20 -1.752 -8.068 -5.393 1.00 0.00 C ATOM 322 CD2 PHE A 20 -1.424 -6.232 -3.839 1.00 0.00 C ATOM 323 CE1 PHE A 20 -0.904 -7.438 -6.315 1.00 0.00 C ATOM 324 CE2 PHE A 20 -0.577 -5.603 -4.761 1.00 0.00 C ATOM 325 CZ PHE A 20 -0.317 -6.206 -5.999 1.00 0.00 C ATOM 0 H PHE A 20 -4.561 -9.860 -2.403 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.149 -9.973 -3.989 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.960 -8.053 -3.484 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.848 -7.651 -2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.205 -9.018 -5.637 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.624 -5.767 -2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.703 -7.903 -7.269 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.124 -4.653 -4.518 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.336 -5.721 -6.709 1.00 0.00 H new ATOM 335 N LEU A 21 -1.867 -9.863 -0.718 1.00 0.00 N ATOM 336 CA LEU A 21 -0.872 -10.017 0.381 1.00 0.00 C ATOM 337 C LEU A 21 -0.162 -11.366 0.246 1.00 0.00 C ATOM 338 O LEU A 21 1.051 -11.440 0.228 1.00 0.00 O ATOM 339 CB LEU A 21 -1.592 -9.956 1.729 1.00 0.00 C ATOM 340 CG LEU A 21 -1.401 -8.572 2.350 1.00 0.00 C ATOM 341 CD1 LEU A 21 -2.582 -8.257 3.270 1.00 0.00 C ATOM 342 CD2 LEU A 21 -0.104 -8.555 3.164 1.00 0.00 C ATOM 0 H LEU A 21 -2.842 -9.837 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.138 -9.213 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.654 -10.162 1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.200 -10.723 2.397 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.347 -7.823 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.445 -7.270 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.507 -8.271 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.637 -9.005 4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.034 -7.569 3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.160 -9.304 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.739 -8.780 2.510 1.00 0.00 H new ATOM 354 N GLU A 22 -0.907 -12.433 0.155 1.00 0.00 N ATOM 355 CA GLU A 22 -0.276 -13.776 0.028 1.00 0.00 C ATOM 356 C GLU A 22 0.432 -13.889 -1.325 1.00 0.00 C ATOM 357 O GLU A 22 1.354 -14.663 -1.489 1.00 0.00 O ATOM 358 CB GLU A 22 -1.355 -14.856 0.129 1.00 0.00 C ATOM 359 CG GLU A 22 -2.282 -14.770 -1.086 1.00 0.00 C ATOM 360 CD GLU A 22 -3.415 -15.787 -0.939 1.00 0.00 C ATOM 361 OE1 GLU A 22 -4.218 -15.622 -0.036 1.00 0.00 O ATOM 362 OE2 GLU A 22 -3.461 -16.712 -1.733 1.00 0.00 O ATOM 0 H GLU A 22 -1.927 -12.432 0.163 1.00 0.00 H new ATOM 0 HA GLU A 22 0.452 -13.909 0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.893 -15.842 0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.929 -14.727 1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.692 -13.764 -1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.720 -14.966 -1.999 1.00 0.00 H new ATOM 369 N ARG A 23 0.007 -13.127 -2.296 1.00 0.00 N ATOM 370 CA ARG A 23 0.658 -13.198 -3.634 1.00 0.00 C ATOM 371 C ARG A 23 2.025 -12.511 -3.580 1.00 0.00 C ATOM 372 O ARG A 23 2.944 -12.882 -4.283 1.00 0.00 O ATOM 373 CB ARG A 23 -0.224 -12.494 -4.668 1.00 0.00 C ATOM 374 CG ARG A 23 -0.900 -13.540 -5.558 1.00 0.00 C ATOM 375 CD ARG A 23 -1.074 -12.973 -6.968 1.00 0.00 C ATOM 376 NE ARG A 23 0.133 -13.290 -7.782 1.00 0.00 N ATOM 377 CZ ARG A 23 0.340 -14.509 -8.200 1.00 0.00 C ATOM 378 NH1 ARG A 23 -0.442 -15.479 -7.809 1.00 0.00 N ATOM 379 NH2 ARG A 23 1.330 -14.759 -9.012 1.00 0.00 N ATOM 0 H ARG A 23 -0.761 -12.460 -2.220 1.00 0.00 H new ATOM 0 HA ARG A 23 0.789 -14.243 -3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.977 -11.886 -4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.378 -11.818 -5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.298 -14.448 -5.591 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.870 -13.815 -5.143 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.963 -13.397 -7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.222 -11.894 -6.922 1.00 0.00 H new ATOM 0 HE ARG A 23 0.799 -12.553 -8.013 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.217 -15.285 -7.175 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.278 -16.431 -8.137 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.941 -14.002 -9.319 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.493 -15.711 -9.339 1.00 0.00 H new ATOM 393 N LEU A 24 2.166 -11.511 -2.755 1.00 0.00 N ATOM 394 CA LEU A 24 3.474 -10.802 -2.663 1.00 0.00 C ATOM 395 C LEU A 24 4.487 -11.681 -1.926 1.00 0.00 C ATOM 396 O LEU A 24 5.662 -11.683 -2.237 1.00 0.00 O ATOM 397 CB LEU A 24 3.290 -9.487 -1.902 1.00 0.00 C ATOM 398 CG LEU A 24 3.310 -8.319 -2.889 1.00 0.00 C ATOM 399 CD1 LEU A 24 1.875 -7.921 -3.238 1.00 0.00 C ATOM 400 CD2 LEU A 24 4.028 -7.126 -2.254 1.00 0.00 C ATOM 0 H LEU A 24 1.434 -11.154 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 24 3.842 -10.593 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.347 -9.499 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.084 -9.367 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 24 3.835 -8.620 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.889 -7.089 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.362 -8.770 -3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.350 -7.621 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.042 -6.293 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.503 -6.826 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.051 -7.408 -2.004 1.00 0.00 H new ATOM 412 N GLU A 25 4.045 -12.428 -0.951 1.00 0.00 N ATOM 413 CA GLU A 25 4.987 -13.304 -0.197 1.00 0.00 C ATOM 414 C GLU A 25 5.506 -14.409 -1.119 1.00 0.00 C ATOM 415 O GLU A 25 6.688 -14.684 -1.170 1.00 0.00 O ATOM 416 CB GLU A 25 4.259 -13.932 0.992 1.00 0.00 C ATOM 417 CG GLU A 25 5.027 -13.626 2.280 1.00 0.00 C ATOM 418 CD GLU A 25 4.144 -13.943 3.488 1.00 0.00 C ATOM 419 OE1 GLU A 25 3.269 -13.146 3.783 1.00 0.00 O ATOM 420 OE2 GLU A 25 4.360 -14.977 4.100 1.00 0.00 O ATOM 0 H GLU A 25 3.073 -12.470 -0.644 1.00 0.00 H new ATOM 0 HA GLU A 25 5.826 -12.709 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.244 -13.540 1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.176 -15.010 0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.942 -14.217 2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.324 -12.577 2.298 1.00 0.00 H new ATOM 427 N GLN A 26 4.630 -15.046 -1.847 1.00 0.00 N ATOM 428 CA GLN A 26 5.074 -16.135 -2.762 1.00 0.00 C ATOM 429 C GLN A 26 5.870 -15.534 -3.923 1.00 0.00 C ATOM 430 O GLN A 26 6.623 -16.215 -4.589 1.00 0.00 O ATOM 431 CB GLN A 26 3.849 -16.871 -3.308 1.00 0.00 C ATOM 432 CG GLN A 26 3.662 -18.184 -2.544 1.00 0.00 C ATOM 433 CD GLN A 26 2.321 -18.160 -1.808 1.00 0.00 C ATOM 434 OE1 GLN A 26 2.254 -17.786 -0.654 1.00 0.00 O ATOM 435 NE2 GLN A 26 1.243 -18.547 -2.432 1.00 0.00 N ATOM 0 H GLN A 26 3.627 -14.860 -1.848 1.00 0.00 H new ATOM 0 HA GLN A 26 5.705 -16.836 -2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.961 -16.248 -3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.976 -17.071 -4.372 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.695 -19.027 -3.235 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.477 -18.323 -1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.299 -18.861 -3.401 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.344 -18.536 -1.951 1.00 0.00 H new ATOM 444 N SER A 27 5.709 -14.262 -4.169 1.00 0.00 N ATOM 445 CA SER A 27 6.459 -13.619 -5.285 1.00 0.00 C ATOM 446 C SER A 27 7.949 -13.577 -4.939 1.00 0.00 C ATOM 447 O SER A 27 8.798 -13.600 -5.806 1.00 0.00 O ATOM 448 CB SER A 27 5.943 -12.196 -5.493 1.00 0.00 C ATOM 449 OG SER A 27 6.996 -11.383 -5.995 1.00 0.00 O ATOM 0 H SER A 27 5.091 -13.641 -3.646 1.00 0.00 H new ATOM 0 HA SER A 27 6.314 -14.194 -6.200 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.106 -12.199 -6.191 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.572 -11.790 -4.552 1.00 0.00 H new ATOM 0 HG SER A 27 6.668 -10.470 -6.131 1.00 0.00 H new ATOM 455 N GLY A 28 8.271 -13.513 -3.676 1.00 0.00 N ATOM 456 CA GLY A 28 9.705 -13.468 -3.273 1.00 0.00 C ATOM 457 C GLY A 28 10.116 -12.018 -3.009 1.00 0.00 C ATOM 458 O GLY A 28 9.298 -11.120 -3.022 1.00 0.00 O ATOM 0 H GLY A 28 7.603 -13.490 -2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.861 -14.070 -2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.328 -13.897 -4.058 1.00 0.00 H new ATOM 462 N LEU A 29 11.377 -11.783 -2.771 1.00 0.00 N ATOM 463 CA LEU A 29 11.838 -10.390 -2.507 1.00 0.00 C ATOM 464 C LEU A 29 11.432 -9.977 -1.091 1.00 0.00 C ATOM 465 O LEU A 29 10.326 -10.227 -0.653 1.00 0.00 O ATOM 466 CB LEU A 29 11.195 -9.441 -3.520 1.00 0.00 C ATOM 467 CG LEU A 29 12.268 -8.528 -4.115 1.00 0.00 C ATOM 468 CD1 LEU A 29 12.868 -7.657 -3.010 1.00 0.00 C ATOM 469 CD2 LEU A 29 13.370 -9.383 -4.744 1.00 0.00 C ATOM 0 H LEU A 29 12.108 -12.494 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 29 12.923 -10.342 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.708 -10.012 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.422 -8.844 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 29 11.821 -7.890 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.633 -7.006 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.083 -7.049 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.316 -8.294 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.136 -8.734 -5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.817 -10.020 -3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.944 -10.005 -5.531 1.00 0.00 H new ATOM 481 N GLU A 30 12.318 -9.344 -0.371 1.00 0.00 N ATOM 482 CA GLU A 30 11.981 -8.915 1.016 1.00 0.00 C ATOM 483 C GLU A 30 11.434 -7.487 0.989 1.00 0.00 C ATOM 484 O GLU A 30 12.176 -6.527 1.040 1.00 0.00 O ATOM 485 CB GLU A 30 13.240 -8.963 1.884 1.00 0.00 C ATOM 486 CG GLU A 30 13.797 -10.389 1.892 1.00 0.00 C ATOM 487 CD GLU A 30 15.262 -10.374 1.447 1.00 0.00 C ATOM 488 OE1 GLU A 30 15.704 -9.345 0.963 1.00 0.00 O ATOM 489 OE2 GLU A 30 15.916 -11.391 1.598 1.00 0.00 O ATOM 0 H GLU A 30 13.259 -9.106 -0.683 1.00 0.00 H new ATOM 0 HA GLU A 30 11.228 -9.585 1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.988 -8.271 1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.007 -8.646 2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.715 -10.816 2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.211 -11.022 1.226 1.00 0.00 H new ATOM 496 N TRP A 31 10.140 -7.339 0.909 1.00 0.00 N ATOM 497 CA TRP A 31 9.545 -5.974 0.879 1.00 0.00 C ATOM 498 C TRP A 31 9.089 -5.589 2.288 1.00 0.00 C ATOM 499 O TRP A 31 9.055 -6.409 3.184 1.00 0.00 O ATOM 500 CB TRP A 31 8.344 -5.962 -0.068 1.00 0.00 C ATOM 501 CG TRP A 31 7.263 -6.831 0.489 1.00 0.00 C ATOM 502 CD1 TRP A 31 7.080 -8.136 0.186 1.00 0.00 C ATOM 503 CD2 TRP A 31 6.216 -6.481 1.441 1.00 0.00 C ATOM 504 NE1 TRP A 31 5.988 -8.610 0.890 1.00 0.00 N ATOM 505 CE2 TRP A 31 5.421 -7.628 1.677 1.00 0.00 C ATOM 506 CE3 TRP A 31 5.883 -5.290 2.114 1.00 0.00 C ATOM 507 CZ2 TRP A 31 4.332 -7.594 2.552 1.00 0.00 C ATOM 508 CZ3 TRP A 31 4.789 -5.252 2.995 1.00 0.00 C ATOM 509 CH2 TRP A 31 4.015 -6.403 3.213 1.00 0.00 C ATOM 0 H TRP A 31 9.469 -8.106 0.863 1.00 0.00 H new ATOM 0 HA TRP A 31 10.289 -5.259 0.529 1.00 0.00 H new ATOM 0 HB2 TRP A 31 7.977 -4.943 -0.195 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.641 -6.319 -1.054 1.00 0.00 H new ATOM 0 HD1 TRP A 31 7.687 -8.714 -0.495 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.644 -9.568 0.834 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.472 -4.400 1.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.739 -8.482 2.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.542 -4.333 3.507 1.00 0.00 H new ATOM 0 HH2 TRP A 31 3.175 -6.369 3.891 1.00 0.00 H new ATOM 520 N ARG A 32 8.739 -4.348 2.492 1.00 0.00 N ATOM 521 CA ARG A 32 8.287 -3.917 3.846 1.00 0.00 C ATOM 522 C ARG A 32 7.319 -2.737 3.711 1.00 0.00 C ATOM 523 O ARG A 32 7.386 -1.987 2.758 1.00 0.00 O ATOM 524 CB ARG A 32 9.500 -3.493 4.676 1.00 0.00 C ATOM 525 CG ARG A 32 9.796 -4.563 5.730 1.00 0.00 C ATOM 526 CD ARG A 32 11.261 -4.468 6.158 1.00 0.00 C ATOM 527 NE ARG A 32 11.370 -3.605 7.368 1.00 0.00 N ATOM 528 CZ ARG A 32 12.016 -4.033 8.418 1.00 0.00 C ATOM 529 NH1 ARG A 32 11.930 -5.286 8.772 1.00 0.00 N ATOM 530 NH2 ARG A 32 12.748 -3.208 9.116 1.00 0.00 N ATOM 0 H ARG A 32 8.746 -3.616 1.782 1.00 0.00 H new ATOM 0 HA ARG A 32 7.780 -4.745 4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.366 -3.355 4.029 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.307 -2.535 5.159 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.145 -4.428 6.593 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.588 -5.554 5.326 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.654 -5.462 6.371 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.862 -4.054 5.348 1.00 0.00 H new ATOM 0 HE ARG A 32 10.940 -2.680 7.376 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.358 -5.932 8.228 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.435 -5.620 9.593 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.815 -2.228 8.841 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.253 -3.543 9.937 1.00 0.00 H new ATOM 544 N PRO A 33 6.444 -2.612 4.678 1.00 0.00 N ATOM 545 CA PRO A 33 5.439 -1.536 4.707 1.00 0.00 C ATOM 546 C PRO A 33 6.072 -0.222 5.178 1.00 0.00 C ATOM 547 O PRO A 33 6.875 -0.202 6.090 1.00 0.00 O ATOM 548 CB PRO A 33 4.408 -2.036 5.722 1.00 0.00 C ATOM 549 CG PRO A 33 5.141 -3.062 6.619 1.00 0.00 C ATOM 550 CD PRO A 33 6.376 -3.534 5.830 1.00 0.00 C ATOM 0 HA PRO A 33 5.005 -1.330 3.729 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.016 -1.211 6.316 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.559 -2.497 5.218 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.436 -2.608 7.565 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.490 -3.903 6.858 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.280 -3.481 6.436 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.270 -4.569 5.506 1.00 0.00 H new ATOM 558 N ALA A 34 5.715 0.872 4.565 1.00 0.00 N ATOM 559 CA ALA A 34 6.294 2.181 4.978 1.00 0.00 C ATOM 560 C ALA A 34 5.162 3.163 5.289 1.00 0.00 C ATOM 561 O ALA A 34 4.122 3.144 4.661 1.00 0.00 O ATOM 562 CB ALA A 34 7.156 2.739 3.844 1.00 0.00 C ATOM 0 H ALA A 34 5.047 0.916 3.795 1.00 0.00 H new ATOM 0 HA ALA A 34 6.910 2.042 5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.580 3.697 4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.962 2.040 3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.541 2.879 2.955 1.00 0.00 H new ATOM 568 N THR A 35 5.355 4.020 6.254 1.00 0.00 N ATOM 569 CA THR A 35 4.286 4.999 6.605 1.00 0.00 C ATOM 570 C THR A 35 3.824 5.730 5.340 1.00 0.00 C ATOM 571 O THR A 35 4.408 5.575 4.287 1.00 0.00 O ATOM 572 CB THR A 35 4.830 6.013 7.614 1.00 0.00 C ATOM 573 OG1 THR A 35 6.241 5.879 7.709 1.00 0.00 O ATOM 574 CG2 THR A 35 4.198 5.760 8.984 1.00 0.00 C ATOM 0 H THR A 35 6.205 4.085 6.814 1.00 0.00 H new ATOM 0 HA THR A 35 3.441 4.469 7.045 1.00 0.00 H new ATOM 0 HB THR A 35 4.584 7.022 7.282 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.589 6.530 8.354 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.586 6.482 9.702 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.116 5.866 8.911 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.442 4.751 9.316 1.00 0.00 H new ATOM 582 N PRO A 36 2.780 6.507 5.487 1.00 0.00 N ATOM 583 CA PRO A 36 2.200 7.281 4.375 1.00 0.00 C ATOM 584 C PRO A 36 3.039 8.532 4.091 1.00 0.00 C ATOM 585 O PRO A 36 2.741 9.301 3.199 1.00 0.00 O ATOM 586 CB PRO A 36 0.809 7.662 4.891 1.00 0.00 C ATOM 587 CG PRO A 36 0.881 7.587 6.435 1.00 0.00 C ATOM 588 CD PRO A 36 2.081 6.685 6.776 1.00 0.00 C ATOM 0 HA PRO A 36 2.166 6.723 3.439 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.534 8.665 4.563 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.051 6.981 4.504 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.008 8.580 6.866 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.041 7.177 6.846 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.729 7.149 7.519 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.756 5.730 7.188 1.00 0.00 H new ATOM 596 N GLU A 37 4.085 8.744 4.843 1.00 0.00 N ATOM 597 CA GLU A 37 4.936 9.946 4.610 1.00 0.00 C ATOM 598 C GLU A 37 6.225 9.528 3.898 1.00 0.00 C ATOM 599 O GLU A 37 6.582 10.071 2.871 1.00 0.00 O ATOM 600 CB GLU A 37 5.282 10.596 5.950 1.00 0.00 C ATOM 601 CG GLU A 37 5.528 12.091 5.742 1.00 0.00 C ATOM 602 CD GLU A 37 5.182 12.849 7.025 1.00 0.00 C ATOM 603 OE1 GLU A 37 4.599 12.243 7.908 1.00 0.00 O ATOM 604 OE2 GLU A 37 5.504 14.024 7.101 1.00 0.00 O ATOM 0 H GLU A 37 4.386 8.139 5.607 1.00 0.00 H new ATOM 0 HA GLU A 37 4.393 10.660 3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.469 10.446 6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.168 10.126 6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.570 12.265 5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.921 12.459 4.915 1.00 0.00 H new ATOM 611 N ASP A 38 6.926 8.568 4.435 1.00 0.00 N ATOM 612 CA ASP A 38 8.192 8.118 3.788 1.00 0.00 C ATOM 613 C ASP A 38 7.930 6.835 2.996 1.00 0.00 C ATOM 614 O ASP A 38 8.756 5.945 2.947 1.00 0.00 O ATOM 615 CB ASP A 38 9.246 7.847 4.864 1.00 0.00 C ATOM 616 CG ASP A 38 10.611 8.336 4.378 1.00 0.00 C ATOM 617 OD1 ASP A 38 10.700 8.738 3.230 1.00 0.00 O ATOM 618 OD2 ASP A 38 11.544 8.301 5.162 1.00 0.00 O ATOM 0 H ASP A 38 6.678 8.076 5.293 1.00 0.00 H new ATOM 0 HA ASP A 38 8.553 8.895 3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.975 8.355 5.790 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.288 6.781 5.086 1.00 0.00 H new ATOM 623 N ALA A 39 6.786 6.734 2.376 1.00 0.00 N ATOM 624 CA ALA A 39 6.470 5.508 1.588 1.00 0.00 C ATOM 625 C ALA A 39 7.299 5.499 0.301 1.00 0.00 C ATOM 626 O ALA A 39 7.264 6.430 -0.478 1.00 0.00 O ATOM 627 CB ALA A 39 4.982 5.500 1.235 1.00 0.00 C ATOM 0 H ALA A 39 6.057 7.447 2.381 1.00 0.00 H new ATOM 0 HA ALA A 39 6.709 4.624 2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.750 4.604 0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.391 5.506 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.744 6.384 0.643 1.00 0.00 H new ATOM 633 N ASP A 40 8.044 4.452 0.071 1.00 0.00 N ATOM 634 CA ASP A 40 8.871 4.384 -1.166 1.00 0.00 C ATOM 635 C ASP A 40 7.960 4.199 -2.380 1.00 0.00 C ATOM 636 O ASP A 40 8.212 4.728 -3.444 1.00 0.00 O ATOM 637 CB ASP A 40 9.839 3.202 -1.068 1.00 0.00 C ATOM 638 CG ASP A 40 11.274 3.723 -0.974 1.00 0.00 C ATOM 639 OD1 ASP A 40 11.557 4.456 -0.040 1.00 0.00 O ATOM 640 OD2 ASP A 40 12.066 3.380 -1.835 1.00 0.00 O ATOM 0 H ASP A 40 8.115 3.642 0.686 1.00 0.00 H new ATOM 0 HA ASP A 40 9.437 5.309 -1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.603 2.597 -0.193 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.732 2.557 -1.940 1.00 0.00 H new ATOM 645 N ALA A 41 6.900 3.451 -2.230 1.00 0.00 N ATOM 646 CA ALA A 41 5.973 3.234 -3.376 1.00 0.00 C ATOM 647 C ALA A 41 4.550 3.038 -2.850 1.00 0.00 C ATOM 648 O ALA A 41 4.284 2.145 -2.072 1.00 0.00 O ATOM 649 CB ALA A 41 6.406 1.989 -4.154 1.00 0.00 C ATOM 0 H ALA A 41 6.637 2.981 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 41 6.000 4.102 -4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.728 1.830 -4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.420 2.128 -4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.379 1.121 -3.496 1.00 0.00 H new ATOM 655 N VAL A 42 3.633 3.867 -3.270 1.00 0.00 N ATOM 656 CA VAL A 42 2.229 3.728 -2.793 1.00 0.00 C ATOM 657 C VAL A 42 1.500 2.688 -3.645 1.00 0.00 C ATOM 658 O VAL A 42 1.623 2.664 -4.853 1.00 0.00 O ATOM 659 CB VAL A 42 1.513 5.075 -2.912 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.081 4.939 -2.394 1.00 0.00 C ATOM 661 CG2 VAL A 42 2.259 6.121 -2.080 1.00 0.00 C ATOM 0 H VAL A 42 3.796 4.634 -3.922 1.00 0.00 H new ATOM 0 HA VAL A 42 2.231 3.408 -1.751 1.00 0.00 H new ATOM 0 HB VAL A 42 1.493 5.386 -3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.429 5.898 -2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.450 4.192 -2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.100 4.629 -1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.751 7.082 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.278 5.809 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.280 6.218 -2.448 1.00 0.00 H new ATOM 671 N ILE A 43 0.743 1.824 -3.024 1.00 0.00 N ATOM 672 CA ILE A 43 0.009 0.785 -3.799 1.00 0.00 C ATOM 673 C ILE A 43 -1.497 0.998 -3.638 1.00 0.00 C ATOM 674 O ILE A 43 -2.122 0.442 -2.756 1.00 0.00 O ATOM 675 CB ILE A 43 0.389 -0.601 -3.276 1.00 0.00 C ATOM 676 CG1 ILE A 43 1.913 -0.728 -3.238 1.00 0.00 C ATOM 677 CG2 ILE A 43 -0.187 -1.673 -4.201 1.00 0.00 C ATOM 678 CD1 ILE A 43 2.299 -2.151 -2.828 1.00 0.00 C ATOM 0 H ILE A 43 0.602 1.793 -2.014 1.00 0.00 H new ATOM 0 HA ILE A 43 0.274 0.861 -4.854 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.015 -0.734 -2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.332 -0.494 -4.217 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.331 -0.009 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.085 -2.660 -3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.273 -1.582 -4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.216 -1.542 -5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.385 -2.240 -2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.893 -2.368 -1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.894 -2.860 -3.550 1.00 0.00 H new ATOM 690 N VAL A 44 -2.085 1.798 -4.484 1.00 0.00 N ATOM 691 CA VAL A 44 -3.550 2.047 -4.384 1.00 0.00 C ATOM 692 C VAL A 44 -4.308 0.890 -5.037 1.00 0.00 C ATOM 693 O VAL A 44 -4.059 0.535 -6.172 1.00 0.00 O ATOM 694 CB VAL A 44 -3.894 3.354 -5.102 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.342 3.740 -4.795 1.00 0.00 C ATOM 696 CG2 VAL A 44 -2.959 4.462 -4.615 1.00 0.00 C ATOM 0 H VAL A 44 -1.613 2.291 -5.242 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.837 2.123 -3.335 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.774 3.220 -6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.587 4.671 -5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.010 2.950 -5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.463 3.874 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.202 5.394 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.081 4.594 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.926 4.188 -4.832 1.00 0.00 H new ATOM 706 N LEU A 45 -5.229 0.296 -4.329 1.00 0.00 N ATOM 707 CA LEU A 45 -6.000 -0.839 -4.910 1.00 0.00 C ATOM 708 C LEU A 45 -7.329 -0.324 -5.467 1.00 0.00 C ATOM 709 O LEU A 45 -8.099 0.309 -4.774 1.00 0.00 O ATOM 710 CB LEU A 45 -6.275 -1.878 -3.821 1.00 0.00 C ATOM 711 CG LEU A 45 -5.477 -3.150 -4.116 1.00 0.00 C ATOM 712 CD1 LEU A 45 -5.809 -3.644 -5.525 1.00 0.00 C ATOM 713 CD2 LEU A 45 -3.980 -2.847 -4.022 1.00 0.00 C ATOM 0 H LEU A 45 -5.481 0.548 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.422 -1.296 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.997 -1.480 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.340 -2.105 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.738 -3.919 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.241 -4.550 -5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.875 -3.860 -5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.548 -2.874 -6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.412 -3.753 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.718 -2.078 -4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.743 -2.494 -3.018 1.00 0.00 H new ATOM 725 N ALA A 46 -7.603 -0.591 -6.715 1.00 0.00 N ATOM 726 CA ALA A 46 -8.883 -0.118 -7.313 1.00 0.00 C ATOM 727 C ALA A 46 -10.023 -1.033 -6.862 1.00 0.00 C ATOM 728 O ALA A 46 -11.182 -0.676 -6.926 1.00 0.00 O ATOM 729 CB ALA A 46 -8.775 -0.150 -8.839 1.00 0.00 C ATOM 0 H ALA A 46 -6.996 -1.116 -7.345 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.084 0.902 -6.985 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.711 0.196 -9.277 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.962 0.501 -9.160 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.575 -1.170 -9.168 1.00 0.00 H new ATOM 735 N GLY A 47 -9.700 -2.213 -6.407 1.00 0.00 N ATOM 736 CA GLY A 47 -10.765 -3.152 -5.950 1.00 0.00 C ATOM 737 C GLY A 47 -11.434 -2.592 -4.695 1.00 0.00 C ATOM 738 O GLY A 47 -12.532 -2.975 -4.343 1.00 0.00 O ATOM 0 H GLY A 47 -8.747 -2.567 -6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.505 -3.291 -6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.335 -4.131 -5.740 1.00 0.00 H new ATOM 742 N LEU A 48 -10.783 -1.688 -4.018 1.00 0.00 N ATOM 743 CA LEU A 48 -11.383 -1.101 -2.786 1.00 0.00 C ATOM 744 C LEU A 48 -12.083 0.211 -3.141 1.00 0.00 C ATOM 745 O LEU A 48 -12.325 1.047 -2.293 1.00 0.00 O ATOM 746 CB LEU A 48 -10.281 -0.830 -1.759 1.00 0.00 C ATOM 747 CG LEU A 48 -9.936 -2.126 -1.024 1.00 0.00 C ATOM 748 CD1 LEU A 48 -8.442 -2.417 -1.176 1.00 0.00 C ATOM 749 CD2 LEU A 48 -10.277 -1.975 0.461 1.00 0.00 C ATOM 0 H LEU A 48 -9.860 -1.329 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.106 -1.799 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.395 -0.435 -2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.611 -0.073 -1.047 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.511 -2.949 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.196 -3.341 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.198 -2.523 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.866 -1.595 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.032 -2.898 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.701 -1.152 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.341 -1.767 0.571 1.00 0.00 H new ATOM 761 N TRP A 49 -12.411 0.397 -4.390 1.00 0.00 N ATOM 762 CA TRP A 49 -13.094 1.655 -4.804 1.00 0.00 C ATOM 763 C TRP A 49 -14.519 1.670 -4.248 1.00 0.00 C ATOM 764 O TRP A 49 -15.173 2.694 -4.216 1.00 0.00 O ATOM 765 CB TRP A 49 -13.143 1.727 -6.331 1.00 0.00 C ATOM 766 CG TRP A 49 -13.609 3.083 -6.753 1.00 0.00 C ATOM 767 CD1 TRP A 49 -14.885 3.527 -6.672 1.00 0.00 C ATOM 768 CD2 TRP A 49 -12.830 4.177 -7.320 1.00 0.00 C ATOM 769 NE1 TRP A 49 -14.939 4.823 -7.152 1.00 0.00 N ATOM 770 CE2 TRP A 49 -13.698 5.268 -7.564 1.00 0.00 C ATOM 771 CE3 TRP A 49 -11.467 4.325 -7.643 1.00 0.00 C ATOM 772 CZ2 TRP A 49 -13.230 6.465 -8.110 1.00 0.00 C ATOM 773 CZ3 TRP A 49 -10.993 5.529 -8.193 1.00 0.00 C ATOM 774 CH2 TRP A 49 -11.873 6.596 -8.425 1.00 0.00 C ATOM 0 H TRP A 49 -12.235 -0.269 -5.143 1.00 0.00 H new ATOM 0 HA TRP A 49 -12.544 2.512 -4.415 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -12.156 1.525 -6.747 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -13.816 0.963 -6.720 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.724 2.962 -6.294 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.791 5.382 -7.196 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.782 3.509 -7.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.911 7.284 -8.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -9.946 5.633 -8.438 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -11.503 7.519 -8.847 1.00 0.00 H new ATOM 785 N GLY A 50 -15.009 0.542 -3.811 1.00 0.00 N ATOM 786 CA GLY A 50 -16.392 0.494 -3.260 1.00 0.00 C ATOM 787 C GLY A 50 -16.335 0.292 -1.745 1.00 0.00 C ATOM 788 O GLY A 50 -17.174 -0.368 -1.165 1.00 0.00 O ATOM 0 H GLY A 50 -14.511 -0.348 -3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -16.920 1.419 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -16.951 -0.318 -3.724 1.00 0.00 H new ATOM 792 N THR A 51 -15.353 0.857 -1.098 1.00 0.00 N ATOM 793 CA THR A 51 -15.246 0.696 0.380 1.00 0.00 C ATOM 794 C THR A 51 -14.606 1.946 0.987 1.00 0.00 C ATOM 795 O THR A 51 -15.131 2.538 1.909 1.00 0.00 O ATOM 796 CB THR A 51 -14.381 -0.525 0.702 1.00 0.00 C ATOM 797 OG1 THR A 51 -13.015 -0.139 0.733 1.00 0.00 O ATOM 798 CG2 THR A 51 -14.587 -1.597 -0.369 1.00 0.00 C ATOM 0 H THR A 51 -14.621 1.422 -1.528 1.00 0.00 H new ATOM 0 HA THR A 51 -16.242 0.557 0.800 1.00 0.00 H new ATOM 0 HB THR A 51 -14.668 -0.928 1.673 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.670 -0.084 -0.183 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.970 -2.465 -0.138 1.00 0.00 H new ATOM 0 HG22 THR A 51 -15.636 -1.892 -0.391 1.00 0.00 H new ATOM 0 HG23 THR A 51 -14.302 -1.198 -1.343 1.00 0.00 H new ATOM 806 N ARG A 52 -13.474 2.353 0.480 1.00 0.00 N ATOM 807 CA ARG A 52 -12.804 3.563 1.034 1.00 0.00 C ATOM 808 C ARG A 52 -12.421 4.505 -0.108 1.00 0.00 C ATOM 809 O ARG A 52 -11.259 4.770 -0.344 1.00 0.00 O ATOM 810 CB ARG A 52 -11.544 3.145 1.795 1.00 0.00 C ATOM 811 CG ARG A 52 -11.941 2.441 3.094 1.00 0.00 C ATOM 812 CD ARG A 52 -11.084 1.188 3.279 1.00 0.00 C ATOM 813 NE ARG A 52 -11.589 0.408 4.443 1.00 0.00 N ATOM 814 CZ ARG A 52 -11.185 0.699 5.651 1.00 0.00 C ATOM 815 NH1 ARG A 52 -9.910 0.842 5.896 1.00 0.00 N ATOM 816 NH2 ARG A 52 -12.054 0.846 6.613 1.00 0.00 N ATOM 0 H ARG A 52 -12.985 1.901 -0.293 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.486 4.076 1.713 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.938 2.480 1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.933 4.020 2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.807 3.114 3.941 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.997 2.171 3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.115 0.577 2.377 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.043 1.467 3.439 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.251 -0.354 4.297 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.230 0.727 5.144 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.594 1.069 6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.050 0.734 6.422 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.738 1.073 7.556 1.00 0.00 H new ATOM 830 N ARG A 53 -13.389 5.017 -0.817 1.00 0.00 N ATOM 831 CA ARG A 53 -13.078 5.946 -1.940 1.00 0.00 C ATOM 832 C ARG A 53 -12.548 7.264 -1.372 1.00 0.00 C ATOM 833 O ARG A 53 -11.603 7.834 -1.878 1.00 0.00 O ATOM 834 CB ARG A 53 -14.348 6.213 -2.749 1.00 0.00 C ATOM 835 CG ARG A 53 -13.976 6.872 -4.078 1.00 0.00 C ATOM 836 CD ARG A 53 -14.566 8.283 -4.131 1.00 0.00 C ATOM 837 NE ARG A 53 -15.211 8.502 -5.457 1.00 0.00 N ATOM 838 CZ ARG A 53 -16.507 8.618 -5.541 1.00 0.00 C ATOM 839 NH1 ARG A 53 -17.277 7.634 -5.163 1.00 0.00 N ATOM 840 NH2 ARG A 53 -17.036 9.718 -6.002 1.00 0.00 N ATOM 0 H ARG A 53 -14.381 4.833 -0.668 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.325 5.497 -2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.880 5.279 -2.930 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.022 6.859 -2.186 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.892 6.915 -4.184 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -14.354 6.277 -4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.297 8.413 -3.333 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.782 9.023 -3.969 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.638 8.561 -6.299 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.865 6.774 -4.802 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -18.291 7.725 -5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.436 10.488 -6.297 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -18.050 9.808 -6.067 1.00 0.00 H new ATOM 854 N ASP A 54 -13.151 7.750 -0.321 1.00 0.00 N ATOM 855 CA ASP A 54 -12.682 9.028 0.282 1.00 0.00 C ATOM 856 C ASP A 54 -11.361 8.787 1.015 1.00 0.00 C ATOM 857 O ASP A 54 -10.484 9.626 1.027 1.00 0.00 O ATOM 858 CB ASP A 54 -13.730 9.539 1.273 1.00 0.00 C ATOM 859 CG ASP A 54 -13.852 8.554 2.437 1.00 0.00 C ATOM 860 OD1 ASP A 54 -14.004 7.372 2.174 1.00 0.00 O ATOM 861 OD2 ASP A 54 -13.792 8.997 3.572 1.00 0.00 O ATOM 0 H ASP A 54 -13.948 7.317 0.145 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.534 9.770 -0.503 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.446 10.524 1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.693 9.651 0.775 1.00 0.00 H new ATOM 866 N GLU A 55 -11.212 7.641 1.624 1.00 0.00 N ATOM 867 CA GLU A 55 -9.948 7.345 2.352 1.00 0.00 C ATOM 868 C GLU A 55 -8.794 7.269 1.352 1.00 0.00 C ATOM 869 O GLU A 55 -7.671 7.621 1.655 1.00 0.00 O ATOM 870 CB GLU A 55 -10.081 6.006 3.081 1.00 0.00 C ATOM 871 CG GLU A 55 -9.770 6.201 4.568 1.00 0.00 C ATOM 872 CD GLU A 55 -11.031 5.948 5.398 1.00 0.00 C ATOM 873 OE1 GLU A 55 -12.068 5.693 4.807 1.00 0.00 O ATOM 874 OE2 GLU A 55 -10.939 6.015 6.612 1.00 0.00 O ATOM 0 H GLU A 55 -11.911 6.899 1.648 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.751 8.134 3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.090 5.612 2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.398 5.275 2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.978 5.519 4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.405 7.213 4.743 1.00 0.00 H new ATOM 881 N ILE A 56 -9.061 6.813 0.159 1.00 0.00 N ATOM 882 CA ILE A 56 -7.980 6.714 -0.861 1.00 0.00 C ATOM 883 C ILE A 56 -7.674 8.109 -1.412 1.00 0.00 C ATOM 884 O ILE A 56 -6.538 8.539 -1.444 1.00 0.00 O ATOM 885 CB ILE A 56 -8.434 5.801 -2.001 1.00 0.00 C ATOM 886 CG1 ILE A 56 -8.746 4.410 -1.444 1.00 0.00 C ATOM 887 CG2 ILE A 56 -7.321 5.694 -3.044 1.00 0.00 C ATOM 888 CD1 ILE A 56 -9.753 3.709 -2.357 1.00 0.00 C ATOM 0 H ILE A 56 -9.982 6.505 -0.153 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.083 6.299 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.328 6.217 -2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.831 3.821 -1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.150 4.493 -0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.645 5.043 -3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.097 6.685 -3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.427 5.278 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.975 2.718 -1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.671 4.295 -2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.332 3.613 -3.358 1.00 0.00 H new ATOM 900 N LEU A 57 -8.679 8.818 -1.847 1.00 0.00 N ATOM 901 CA LEU A 57 -8.443 10.185 -2.393 1.00 0.00 C ATOM 902 C LEU A 57 -7.539 10.964 -1.437 1.00 0.00 C ATOM 903 O LEU A 57 -6.709 11.748 -1.852 1.00 0.00 O ATOM 904 CB LEU A 57 -9.780 10.915 -2.537 1.00 0.00 C ATOM 905 CG LEU A 57 -9.730 11.839 -3.754 1.00 0.00 C ATOM 906 CD1 LEU A 57 -9.850 11.008 -5.031 1.00 0.00 C ATOM 907 CD2 LEU A 57 -10.888 12.836 -3.683 1.00 0.00 C ATOM 0 H LEU A 57 -9.652 8.511 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.964 10.109 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.590 10.194 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.989 11.493 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.784 12.380 -3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.814 11.667 -5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.025 10.297 -5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.796 10.467 -5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.854 13.496 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.834 12.295 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.802 13.429 -2.772 1.00 0.00 H new ATOM 919 N GLY A 58 -7.692 10.753 -0.158 1.00 0.00 N ATOM 920 CA GLY A 58 -6.841 11.480 0.825 1.00 0.00 C ATOM 921 C GLY A 58 -5.386 11.038 0.665 1.00 0.00 C ATOM 922 O GLY A 58 -4.489 11.850 0.553 1.00 0.00 O ATOM 0 H GLY A 58 -8.370 10.108 0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.925 12.556 0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.184 11.277 1.839 1.00 0.00 H new ATOM 926 N ALA A 59 -5.144 9.755 0.649 1.00 0.00 N ATOM 927 CA ALA A 59 -3.746 9.265 0.492 1.00 0.00 C ATOM 928 C ALA A 59 -3.126 9.897 -0.755 1.00 0.00 C ATOM 929 O ALA A 59 -1.947 10.190 -0.793 1.00 0.00 O ATOM 930 CB ALA A 59 -3.752 7.742 0.342 1.00 0.00 C ATOM 0 H ALA A 59 -5.853 9.027 0.738 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.162 9.540 1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.729 7.384 0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.197 7.291 1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.334 7.465 -0.537 1.00 0.00 H new ATOM 936 N VAL A 60 -3.912 10.113 -1.773 1.00 0.00 N ATOM 937 CA VAL A 60 -3.368 10.729 -3.016 1.00 0.00 C ATOM 938 C VAL A 60 -2.928 12.163 -2.718 1.00 0.00 C ATOM 939 O VAL A 60 -1.813 12.553 -3.006 1.00 0.00 O ATOM 940 CB VAL A 60 -4.453 10.742 -4.096 1.00 0.00 C ATOM 941 CG1 VAL A 60 -3.871 11.293 -5.398 1.00 0.00 C ATOM 942 CG2 VAL A 60 -4.958 9.316 -4.327 1.00 0.00 C ATOM 0 H VAL A 60 -4.907 9.890 -1.798 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.514 10.150 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.280 11.374 -3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.644 11.302 -6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.510 12.308 -5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.044 10.662 -5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.731 9.324 -5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.130 8.685 -4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.373 8.922 -3.399 1.00 0.00 H new ATOM 952 N ASP A 61 -3.792 12.950 -2.139 1.00 0.00 N ATOM 953 CA ASP A 61 -3.421 14.356 -1.818 1.00 0.00 C ATOM 954 C ASP A 61 -2.091 14.365 -1.062 1.00 0.00 C ATOM 955 O ASP A 61 -1.249 15.215 -1.275 1.00 0.00 O ATOM 956 CB ASP A 61 -4.510 14.985 -0.945 1.00 0.00 C ATOM 957 CG ASP A 61 -4.519 16.501 -1.152 1.00 0.00 C ATOM 958 OD1 ASP A 61 -4.556 16.922 -2.296 1.00 0.00 O ATOM 959 OD2 ASP A 61 -4.491 17.215 -0.163 1.00 0.00 O ATOM 0 H ASP A 61 -4.739 12.680 -1.874 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.322 14.929 -2.740 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.483 14.567 -1.202 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.329 14.752 0.104 1.00 0.00 H new ATOM 964 N LEU A 62 -1.896 13.422 -0.182 1.00 0.00 N ATOM 965 CA LEU A 62 -0.621 13.370 0.587 1.00 0.00 C ATOM 966 C LEU A 62 0.521 12.964 -0.346 1.00 0.00 C ATOM 967 O LEU A 62 1.643 13.405 -0.200 1.00 0.00 O ATOM 968 CB LEU A 62 -0.747 12.339 1.710 1.00 0.00 C ATOM 969 CG LEU A 62 -0.687 13.046 3.065 1.00 0.00 C ATOM 970 CD1 LEU A 62 -0.929 12.027 4.181 1.00 0.00 C ATOM 971 CD2 LEU A 62 0.693 13.681 3.246 1.00 0.00 C ATOM 0 H LEU A 62 -2.565 12.684 0.038 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.413 14.352 1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.686 11.795 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.056 11.605 1.635 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.453 13.821 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.887 12.529 5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.911 11.572 4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.162 11.253 4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.738 14.185 4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.458 12.906 3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.868 14.405 2.450 1.00 0.00 H new ATOM 983 N ALA A 63 0.241 12.126 -1.307 1.00 0.00 N ATOM 984 CA ALA A 63 1.309 11.689 -2.250 1.00 0.00 C ATOM 985 C ALA A 63 1.894 12.910 -2.962 1.00 0.00 C ATOM 986 O ALA A 63 3.088 13.138 -2.943 1.00 0.00 O ATOM 987 CB ALA A 63 0.713 10.734 -3.285 1.00 0.00 C ATOM 0 H ALA A 63 -0.681 11.725 -1.480 1.00 0.00 H new ATOM 0 HA ALA A 63 2.097 11.180 -1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.493 10.413 -3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.296 9.863 -2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.075 11.244 -3.839 1.00 0.00 H new ATOM 993 N ARG A 64 1.065 13.695 -3.592 1.00 0.00 N ATOM 994 CA ARG A 64 1.576 14.899 -4.307 1.00 0.00 C ATOM 995 C ARG A 64 2.033 15.947 -3.290 1.00 0.00 C ATOM 996 O ARG A 64 2.711 16.897 -3.627 1.00 0.00 O ATOM 997 CB ARG A 64 0.463 15.485 -5.178 1.00 0.00 C ATOM 998 CG ARG A 64 -0.126 14.383 -6.060 1.00 0.00 C ATOM 999 CD ARG A 64 -1.653 14.472 -6.034 1.00 0.00 C ATOM 1000 NE ARG A 64 -2.110 15.428 -7.081 1.00 0.00 N ATOM 1001 CZ ARG A 64 -3.144 16.192 -6.859 1.00 0.00 C ATOM 1002 NH1 ARG A 64 -4.328 15.661 -6.717 1.00 0.00 N ATOM 1003 NH2 ARG A 64 -2.996 17.486 -6.778 1.00 0.00 N ATOM 0 H ARG A 64 0.056 13.555 -3.643 1.00 0.00 H new ATOM 0 HA ARG A 64 2.420 14.615 -4.936 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.315 15.918 -4.550 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.857 16.290 -5.798 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.238 14.487 -7.082 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.198 13.405 -5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.089 13.488 -6.209 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.993 14.801 -5.052 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.615 15.485 -7.971 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.444 14.650 -6.780 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.137 16.258 -6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.071 17.901 -6.888 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.805 18.082 -6.604 1.00 0.00 H new ATOM 1017 N LYS A 65 1.667 15.784 -2.047 1.00 0.00 N ATOM 1018 CA LYS A 65 2.084 16.776 -1.016 1.00 0.00 C ATOM 1019 C LYS A 65 3.581 17.058 -1.155 1.00 0.00 C ATOM 1020 O LYS A 65 4.051 18.133 -0.841 1.00 0.00 O ATOM 1021 CB LYS A 65 1.796 16.214 0.379 1.00 0.00 C ATOM 1022 CG LYS A 65 2.178 17.252 1.436 1.00 0.00 C ATOM 1023 CD LYS A 65 3.281 16.685 2.334 1.00 0.00 C ATOM 1024 CE LYS A 65 4.154 17.828 2.851 1.00 0.00 C ATOM 1025 NZ LYS A 65 5.560 17.626 2.396 1.00 0.00 N ATOM 0 H LYS A 65 1.099 15.010 -1.702 1.00 0.00 H new ATOM 0 HA LYS A 65 1.526 17.702 -1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.740 15.959 0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.360 15.295 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.521 18.168 0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.306 17.515 2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.841 16.142 3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.889 15.973 1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.776 18.783 2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.115 17.866 3.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.178 18.324 2.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.872 16.667 2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.612 17.746 1.364 1.00 0.00 H new ATOM 1039 N SER A 66 4.334 16.100 -1.622 1.00 0.00 N ATOM 1040 CA SER A 66 5.801 16.316 -1.778 1.00 0.00 C ATOM 1041 C SER A 66 6.261 15.742 -3.119 1.00 0.00 C ATOM 1042 O SER A 66 6.461 16.462 -4.078 1.00 0.00 O ATOM 1043 CB SER A 66 6.544 15.612 -0.642 1.00 0.00 C ATOM 1044 OG SER A 66 7.780 15.108 -1.132 1.00 0.00 O ATOM 0 H SER A 66 3.998 15.179 -1.902 1.00 0.00 H new ATOM 0 HA SER A 66 6.016 17.384 -1.746 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.721 16.307 0.178 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.938 14.798 -0.245 1.00 0.00 H new ATOM 0 HG SER A 66 8.260 14.657 -0.406 1.00 0.00 H new ATOM 1050 N SER A 67 6.436 14.451 -3.194 1.00 0.00 N ATOM 1051 CA SER A 67 6.887 13.833 -4.472 1.00 0.00 C ATOM 1052 C SER A 67 6.976 12.316 -4.300 1.00 0.00 C ATOM 1053 O SER A 67 8.043 11.737 -4.353 1.00 0.00 O ATOM 1054 CB SER A 67 8.263 14.387 -4.845 1.00 0.00 C ATOM 1055 OG SER A 67 8.902 13.490 -5.745 1.00 0.00 O ATOM 0 H SER A 67 6.286 13.798 -2.425 1.00 0.00 H new ATOM 0 HA SER A 67 6.174 14.067 -5.263 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.160 15.370 -5.305 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.871 14.516 -3.949 1.00 0.00 H new ATOM 0 HG SER A 67 9.213 12.701 -5.254 1.00 0.00 H new ATOM 1061 N LYS A 68 5.862 11.667 -4.093 1.00 0.00 N ATOM 1062 CA LYS A 68 5.885 10.187 -3.917 1.00 0.00 C ATOM 1063 C LYS A 68 5.363 9.512 -5.189 1.00 0.00 C ATOM 1064 O LYS A 68 4.528 10.059 -5.881 1.00 0.00 O ATOM 1065 CB LYS A 68 4.992 9.799 -2.735 1.00 0.00 C ATOM 1066 CG LYS A 68 5.333 10.674 -1.528 1.00 0.00 C ATOM 1067 CD LYS A 68 5.641 9.784 -0.323 1.00 0.00 C ATOM 1068 CE LYS A 68 7.119 9.391 -0.343 1.00 0.00 C ATOM 1069 NZ LYS A 68 7.958 10.608 -0.142 1.00 0.00 N ATOM 0 H LYS A 68 4.939 12.097 -4.038 1.00 0.00 H new ATOM 0 HA LYS A 68 6.907 9.862 -3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.943 9.923 -3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.136 8.747 -2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.191 11.307 -1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.499 11.338 -1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.407 10.312 0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.016 8.891 -0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.323 8.661 0.441 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.368 8.917 -1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.609 10.453 0.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.505 10.799 -1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.345 11.422 0.066 1.00 0.00 H new ATOM 1083 N PRO A 69 5.874 8.336 -5.453 1.00 0.00 N ATOM 1084 CA PRO A 69 5.479 7.546 -6.633 1.00 0.00 C ATOM 1085 C PRO A 69 4.124 6.876 -6.390 1.00 0.00 C ATOM 1086 O PRO A 69 3.923 6.201 -5.398 1.00 0.00 O ATOM 1087 CB PRO A 69 6.596 6.507 -6.759 1.00 0.00 C ATOM 1088 CG PRO A 69 7.247 6.393 -5.359 1.00 0.00 C ATOM 1089 CD PRO A 69 6.890 7.685 -4.601 1.00 0.00 C ATOM 0 HA PRO A 69 5.363 8.144 -7.537 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.197 5.545 -7.081 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.330 6.814 -7.505 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.874 5.517 -4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.328 6.279 -5.442 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.497 7.468 -3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.764 8.322 -4.466 1.00 0.00 H new ATOM 1097 N ILE A 70 3.189 7.064 -7.281 1.00 0.00 N ATOM 1098 CA ILE A 70 1.845 6.447 -7.095 1.00 0.00 C ATOM 1099 C ILE A 70 1.696 5.230 -8.011 1.00 0.00 C ATOM 1100 O ILE A 70 1.751 5.339 -9.221 1.00 0.00 O ATOM 1101 CB ILE A 70 0.766 7.474 -7.440 1.00 0.00 C ATOM 1102 CG1 ILE A 70 0.857 8.653 -6.469 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -0.614 6.824 -7.325 1.00 0.00 C ATOM 1104 CD1 ILE A 70 0.209 9.887 -7.101 1.00 0.00 C ATOM 0 H ILE A 70 3.298 7.619 -8.130 1.00 0.00 H new ATOM 0 HA ILE A 70 1.737 6.130 -6.058 1.00 0.00 H new ATOM 0 HB ILE A 70 0.915 7.829 -8.460 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.357 8.406 -5.533 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.900 8.860 -6.228 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.383 7.556 -7.571 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.679 5.984 -8.016 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.765 6.468 -6.306 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.274 10.727 -6.409 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.729 10.138 -8.026 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.838 9.677 -7.319 1.00 0.00 H new ATOM 1116 N ILE A 71 1.498 4.072 -7.443 1.00 0.00 N ATOM 1117 CA ILE A 71 1.332 2.849 -8.277 1.00 0.00 C ATOM 1118 C ILE A 71 -0.129 2.399 -8.216 1.00 0.00 C ATOM 1119 O ILE A 71 -0.651 2.097 -7.163 1.00 0.00 O ATOM 1120 CB ILE A 71 2.235 1.737 -7.738 1.00 0.00 C ATOM 1121 CG1 ILE A 71 3.674 2.249 -7.646 1.00 0.00 C ATOM 1122 CG2 ILE A 71 2.183 0.534 -8.681 1.00 0.00 C ATOM 1123 CD1 ILE A 71 4.129 2.741 -9.021 1.00 0.00 C ATOM 0 H ILE A 71 1.444 3.920 -6.436 1.00 0.00 H new ATOM 0 HA ILE A 71 1.607 3.065 -9.309 1.00 0.00 H new ATOM 0 HB ILE A 71 1.890 1.438 -6.748 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.737 3.059 -6.919 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.333 1.454 -7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.826 -0.258 -8.297 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.158 0.168 -8.748 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.527 0.833 -9.671 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.154 3.106 -8.956 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.081 1.919 -9.736 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.477 3.549 -9.353 1.00 0.00 H new ATOM 1135 N THR A 72 -0.796 2.360 -9.337 1.00 0.00 N ATOM 1136 CA THR A 72 -2.225 1.938 -9.335 1.00 0.00 C ATOM 1137 C THR A 72 -2.324 0.435 -9.598 1.00 0.00 C ATOM 1138 O THR A 72 -1.573 -0.124 -10.372 1.00 0.00 O ATOM 1139 CB THR A 72 -2.982 2.695 -10.430 1.00 0.00 C ATOM 1140 OG1 THR A 72 -2.655 4.076 -10.360 1.00 0.00 O ATOM 1141 CG2 THR A 72 -4.487 2.513 -10.230 1.00 0.00 C ATOM 0 H THR A 72 -0.414 2.601 -10.252 1.00 0.00 H new ATOM 0 HA THR A 72 -2.663 2.163 -8.362 1.00 0.00 H new ATOM 0 HB THR A 72 -2.698 2.304 -11.407 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.376 4.604 -10.763 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.025 3.052 -11.010 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.736 1.453 -10.284 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.774 2.904 -9.254 1.00 0.00 H new ATOM 1149 N VAL A 73 -3.255 -0.224 -8.960 1.00 0.00 N ATOM 1150 CA VAL A 73 -3.413 -1.689 -9.171 1.00 0.00 C ATOM 1151 C VAL A 73 -4.831 -1.975 -9.671 1.00 0.00 C ATOM 1152 O VAL A 73 -5.801 -1.750 -8.975 1.00 0.00 O ATOM 1153 CB VAL A 73 -3.179 -2.425 -7.850 1.00 0.00 C ATOM 1154 CG1 VAL A 73 -3.227 -3.934 -8.091 1.00 0.00 C ATOM 1155 CG2 VAL A 73 -1.806 -2.043 -7.290 1.00 0.00 C ATOM 0 H VAL A 73 -3.913 0.192 -8.301 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.688 -2.033 -9.908 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.954 -2.146 -7.137 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.060 -4.458 -7.150 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.203 -4.208 -8.491 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.452 -4.213 -8.804 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.638 -2.567 -6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.031 -2.323 -8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.770 -0.967 -7.118 1.00 0.00 H new ATOM 1165 N ARG A 74 -4.959 -2.463 -10.874 1.00 0.00 N ATOM 1166 CA ARG A 74 -6.313 -2.759 -11.421 1.00 0.00 C ATOM 1167 C ARG A 74 -7.164 -3.442 -10.345 1.00 0.00 C ATOM 1168 O ARG A 74 -6.638 -4.060 -9.441 1.00 0.00 O ATOM 1169 CB ARG A 74 -6.182 -3.683 -12.633 1.00 0.00 C ATOM 1170 CG ARG A 74 -6.188 -2.849 -13.915 1.00 0.00 C ATOM 1171 CD ARG A 74 -7.357 -3.282 -14.802 1.00 0.00 C ATOM 1172 NE ARG A 74 -6.842 -3.678 -16.142 1.00 0.00 N ATOM 1173 CZ ARG A 74 -7.674 -4.033 -17.083 1.00 0.00 C ATOM 1174 NH1 ARG A 74 -8.828 -4.556 -16.772 1.00 0.00 N ATOM 1175 NH2 ARG A 74 -7.350 -3.866 -18.336 1.00 0.00 N ATOM 0 H ARG A 74 -4.183 -2.670 -11.503 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.793 -1.828 -11.724 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.259 -4.259 -12.566 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.004 -4.399 -12.648 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.275 -1.790 -13.672 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.246 -2.977 -14.449 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.886 -4.117 -14.343 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.073 -2.466 -14.902 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.838 -3.672 -16.325 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.081 -4.688 -15.793 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.477 -4.833 -17.508 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.447 -3.458 -18.579 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.000 -4.143 -19.072 1.00 0.00 H new ATOM 1189 N PRO A 75 -8.460 -3.309 -10.480 1.00 0.00 N ATOM 1190 CA PRO A 75 -9.423 -3.901 -9.535 1.00 0.00 C ATOM 1191 C PRO A 75 -9.580 -5.402 -9.799 1.00 0.00 C ATOM 1192 O PRO A 75 -9.288 -5.888 -10.873 1.00 0.00 O ATOM 1193 CB PRO A 75 -10.725 -3.153 -9.834 1.00 0.00 C ATOM 1194 CG PRO A 75 -10.590 -2.601 -11.273 1.00 0.00 C ATOM 1195 CD PRO A 75 -9.083 -2.554 -11.588 1.00 0.00 C ATOM 0 HA PRO A 75 -9.114 -3.809 -8.494 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.584 -3.820 -9.753 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.881 -2.344 -9.121 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.114 -3.240 -11.984 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.033 -1.608 -11.350 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.863 -3.009 -12.554 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.716 -1.529 -11.628 1.00 0.00 H new ATOM 1203 N TYR A 76 -10.038 -6.140 -8.823 1.00 0.00 N ATOM 1204 CA TYR A 76 -10.213 -7.609 -9.015 1.00 0.00 C ATOM 1205 C TYR A 76 -11.705 -7.942 -9.076 1.00 0.00 C ATOM 1206 O TYR A 76 -12.105 -9.077 -8.904 1.00 0.00 O ATOM 1207 CB TYR A 76 -9.573 -8.354 -7.841 1.00 0.00 C ATOM 1208 CG TYR A 76 -9.553 -9.835 -8.133 1.00 0.00 C ATOM 1209 CD1 TYR A 76 -8.960 -10.308 -9.312 1.00 0.00 C ATOM 1210 CD2 TYR A 76 -10.127 -10.737 -7.227 1.00 0.00 C ATOM 1211 CE1 TYR A 76 -8.941 -11.683 -9.584 1.00 0.00 C ATOM 1212 CE2 TYR A 76 -10.108 -12.112 -7.499 1.00 0.00 C ATOM 1213 CZ TYR A 76 -9.514 -12.584 -8.677 1.00 0.00 C ATOM 1214 OH TYR A 76 -9.496 -13.938 -8.944 1.00 0.00 O ATOM 0 H TYR A 76 -10.298 -5.789 -7.901 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.735 -7.914 -9.946 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.558 -7.992 -7.677 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.133 -8.161 -6.926 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.518 -9.613 -10.011 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.584 -10.373 -6.319 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.485 -12.048 -10.492 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.551 -12.807 -6.801 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.934 -14.421 -8.213 1.00 0.00 H new ATOM 1224 N GLY A 77 -12.532 -6.963 -9.321 1.00 0.00 N ATOM 1225 CA GLY A 77 -13.998 -7.226 -9.394 1.00 0.00 C ATOM 1226 C GLY A 77 -14.421 -7.364 -10.857 1.00 0.00 C ATOM 1227 O GLY A 77 -15.592 -7.338 -11.179 1.00 0.00 O ATOM 0 H GLY A 77 -12.257 -5.993 -9.474 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.242 -8.136 -8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.548 -6.412 -8.921 1.00 0.00 H new ATOM 1231 N LEU A 78 -13.477 -7.510 -11.745 1.00 0.00 N ATOM 1232 CA LEU A 78 -13.825 -7.649 -13.187 1.00 0.00 C ATOM 1233 C LEU A 78 -14.746 -6.499 -13.601 1.00 0.00 C ATOM 1234 O LEU A 78 -15.770 -6.704 -14.223 1.00 0.00 O ATOM 1235 CB LEU A 78 -14.538 -8.984 -13.414 1.00 0.00 C ATOM 1236 CG LEU A 78 -13.803 -9.775 -14.497 1.00 0.00 C ATOM 1237 CD1 LEU A 78 -13.174 -11.026 -13.881 1.00 0.00 C ATOM 1238 CD2 LEU A 78 -14.795 -10.188 -15.586 1.00 0.00 C ATOM 0 H LEU A 78 -12.479 -7.539 -11.534 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.915 -7.619 -13.786 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.566 -9.556 -12.487 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.572 -8.810 -13.713 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.021 -9.153 -14.932 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.651 -11.588 -14.654 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.468 -10.733 -13.104 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.955 -11.649 -13.445 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.273 -10.752 -16.359 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.577 -10.809 -15.149 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.243 -9.297 -16.027 1.00 0.00 H new ATOM 1250 N GLU A 79 -14.389 -5.291 -13.262 1.00 0.00 N ATOM 1251 CA GLU A 79 -15.236 -4.128 -13.635 1.00 0.00 C ATOM 1252 C GLU A 79 -14.421 -3.175 -14.512 1.00 0.00 C ATOM 1253 O GLU A 79 -13.620 -3.595 -15.323 1.00 0.00 O ATOM 1254 CB GLU A 79 -15.686 -3.406 -12.361 1.00 0.00 C ATOM 1255 CG GLU A 79 -17.019 -2.699 -12.617 1.00 0.00 C ATOM 1256 CD GLU A 79 -18.064 -3.200 -11.618 1.00 0.00 C ATOM 1257 OE1 GLU A 79 -18.496 -4.332 -11.760 1.00 0.00 O ATOM 1258 OE2 GLU A 79 -18.414 -2.442 -10.727 1.00 0.00 O ATOM 0 H GLU A 79 -13.543 -5.061 -12.741 1.00 0.00 H new ATOM 0 HA GLU A 79 -16.113 -4.466 -14.187 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.792 -4.120 -11.544 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.931 -2.682 -12.055 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -16.895 -1.620 -12.519 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -17.354 -2.890 -13.636 1.00 0.00 H new ATOM 1265 N ASN A 80 -14.616 -1.896 -14.358 1.00 0.00 N ATOM 1266 CA ASN A 80 -13.851 -0.921 -15.185 1.00 0.00 C ATOM 1267 C ASN A 80 -13.487 0.298 -14.336 1.00 0.00 C ATOM 1268 O ASN A 80 -14.328 1.102 -13.991 1.00 0.00 O ATOM 1269 CB ASN A 80 -14.705 -0.475 -16.374 1.00 0.00 C ATOM 1270 CG ASN A 80 -16.149 -0.265 -15.915 1.00 0.00 C ATOM 1271 OD1 ASN A 80 -16.629 0.850 -15.876 1.00 0.00 O ATOM 1272 ND2 ASN A 80 -16.866 -1.297 -15.565 1.00 0.00 N ATOM 0 H ASN A 80 -15.272 -1.483 -13.695 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.940 -1.395 -15.549 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -14.308 0.449 -16.794 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -14.669 -1.226 -17.163 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -17.830 -1.168 -15.258 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -16.462 -2.233 -15.598 1.00 0.00 H new ATOM 1279 N VAL A 81 -12.234 0.442 -13.999 1.00 0.00 N ATOM 1280 CA VAL A 81 -11.812 1.610 -13.176 1.00 0.00 C ATOM 1281 C VAL A 81 -12.357 2.897 -13.808 1.00 0.00 C ATOM 1282 O VAL A 81 -12.369 3.031 -15.016 1.00 0.00 O ATOM 1283 CB VAL A 81 -10.284 1.670 -13.135 1.00 0.00 C ATOM 1284 CG1 VAL A 81 -9.750 1.937 -14.543 1.00 0.00 C ATOM 1285 CG2 VAL A 81 -9.839 2.796 -12.199 1.00 0.00 C ATOM 0 H VAL A 81 -11.484 -0.199 -14.258 1.00 0.00 H new ATOM 0 HA VAL A 81 -12.201 1.508 -12.163 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.893 0.721 -12.769 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.661 1.980 -14.517 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.065 1.135 -15.210 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.142 2.887 -14.907 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.750 2.837 -12.171 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.229 3.747 -12.563 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -10.221 2.607 -11.196 1.00 0.00 H new ATOM 1295 N PRO A 82 -12.793 3.807 -12.974 1.00 0.00 N ATOM 1296 CA PRO A 82 -13.345 5.095 -13.427 1.00 0.00 C ATOM 1297 C PRO A 82 -12.213 6.047 -13.830 1.00 0.00 C ATOM 1298 O PRO A 82 -11.093 5.898 -13.383 1.00 0.00 O ATOM 1299 CB PRO A 82 -14.095 5.617 -12.198 1.00 0.00 C ATOM 1300 CG PRO A 82 -13.474 4.906 -10.973 1.00 0.00 C ATOM 1301 CD PRO A 82 -12.777 3.639 -11.506 1.00 0.00 C ATOM 0 HA PRO A 82 -13.989 5.005 -14.302 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -13.994 6.699 -12.112 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -15.161 5.402 -12.273 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.761 5.557 -10.468 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -14.242 4.648 -10.244 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.759 3.555 -11.126 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -13.306 2.736 -11.203 1.00 0.00 H new ATOM 1309 N PRO A 83 -12.543 6.995 -14.670 1.00 0.00 N ATOM 1310 CA PRO A 83 -11.576 7.990 -15.165 1.00 0.00 C ATOM 1311 C PRO A 83 -11.327 9.074 -14.112 1.00 0.00 C ATOM 1312 O PRO A 83 -11.742 10.205 -14.261 1.00 0.00 O ATOM 1313 CB PRO A 83 -12.263 8.576 -16.400 1.00 0.00 C ATOM 1314 CG PRO A 83 -13.779 8.313 -16.221 1.00 0.00 C ATOM 1315 CD PRO A 83 -13.910 7.163 -15.204 1.00 0.00 C ATOM 0 HA PRO A 83 -10.600 7.560 -15.389 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -12.061 9.644 -16.487 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.892 8.106 -17.311 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.288 9.208 -15.862 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.240 8.044 -17.171 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -14.619 7.409 -14.414 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -14.267 6.249 -15.679 1.00 0.00 H new ATOM 1323 N GLU A 84 -10.648 8.736 -13.051 1.00 0.00 N ATOM 1324 CA GLU A 84 -10.365 9.744 -11.992 1.00 0.00 C ATOM 1325 C GLU A 84 -9.008 9.436 -11.359 1.00 0.00 C ATOM 1326 O GLU A 84 -8.210 10.318 -11.113 1.00 0.00 O ATOM 1327 CB GLU A 84 -11.456 9.687 -10.921 1.00 0.00 C ATOM 1328 CG GLU A 84 -11.895 11.109 -10.565 1.00 0.00 C ATOM 1329 CD GLU A 84 -10.911 11.711 -9.560 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -9.743 11.365 -9.625 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -11.342 12.509 -8.743 1.00 0.00 O ATOM 0 H GLU A 84 -10.276 7.803 -12.872 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.348 10.742 -12.431 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.308 9.112 -11.284 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.083 9.177 -10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.935 11.724 -11.464 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.900 11.096 -10.143 1.00 0.00 H new ATOM 1338 N LEU A 85 -8.738 8.186 -11.099 1.00 0.00 N ATOM 1339 CA LEU A 85 -7.431 7.817 -10.490 1.00 0.00 C ATOM 1340 C LEU A 85 -6.395 7.624 -11.600 1.00 0.00 C ATOM 1341 O LEU A 85 -5.216 7.850 -11.410 1.00 0.00 O ATOM 1342 CB LEU A 85 -7.584 6.515 -9.700 1.00 0.00 C ATOM 1343 CG LEU A 85 -6.990 6.693 -8.303 1.00 0.00 C ATOM 1344 CD1 LEU A 85 -8.076 6.456 -7.251 1.00 0.00 C ATOM 1345 CD2 LEU A 85 -5.857 5.684 -8.101 1.00 0.00 C ATOM 0 H LEU A 85 -9.367 7.404 -11.283 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.103 8.610 -9.818 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.637 6.243 -9.627 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.080 5.700 -10.220 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.600 7.706 -8.200 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.652 6.583 -6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.885 7.173 -7.395 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.466 5.443 -7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.432 5.809 -7.105 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.248 4.672 -8.204 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.083 5.851 -8.850 1.00 0.00 H new ATOM 1357 N GLU A 86 -6.828 7.212 -12.760 1.00 0.00 N ATOM 1358 CA GLU A 86 -5.871 7.007 -13.885 1.00 0.00 C ATOM 1359 C GLU A 86 -5.397 8.367 -14.401 1.00 0.00 C ATOM 1360 O GLU A 86 -4.370 8.475 -15.041 1.00 0.00 O ATOM 1361 CB GLU A 86 -6.568 6.247 -15.016 1.00 0.00 C ATOM 1362 CG GLU A 86 -6.288 4.750 -14.876 1.00 0.00 C ATOM 1363 CD GLU A 86 -7.385 4.102 -14.029 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -8.191 4.835 -13.479 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -7.400 2.885 -13.945 1.00 0.00 O ATOM 0 H GLU A 86 -7.803 7.008 -12.978 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.015 6.431 -13.535 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.642 6.431 -14.984 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.212 6.605 -15.982 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.250 4.283 -15.860 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.315 4.593 -14.411 1.00 0.00 H new ATOM 1372 N ALA A 87 -6.137 9.407 -14.127 1.00 0.00 N ATOM 1373 CA ALA A 87 -5.729 10.758 -14.602 1.00 0.00 C ATOM 1374 C ALA A 87 -4.403 11.148 -13.945 1.00 0.00 C ATOM 1375 O ALA A 87 -3.561 11.781 -14.551 1.00 0.00 O ATOM 1376 CB ALA A 87 -6.805 11.779 -14.225 1.00 0.00 C ATOM 0 H ALA A 87 -7.007 9.378 -13.595 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.609 10.742 -15.685 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.506 12.768 -14.573 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -7.750 11.501 -14.691 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.926 11.797 -13.142 1.00 0.00 H new ATOM 1382 N VAL A 88 -4.210 10.773 -12.711 1.00 0.00 N ATOM 1383 CA VAL A 88 -2.939 11.121 -12.016 1.00 0.00 C ATOM 1384 C VAL A 88 -2.253 9.840 -11.535 1.00 0.00 C ATOM 1385 O VAL A 88 -1.830 9.740 -10.401 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.245 12.018 -10.816 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -3.978 13.273 -11.292 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -4.127 11.258 -9.823 1.00 0.00 C ATOM 0 H VAL A 88 -4.878 10.240 -12.153 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.280 11.648 -12.705 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.313 12.304 -10.329 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.197 13.913 -10.437 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.350 13.815 -12.000 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.910 12.987 -11.779 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.345 11.897 -8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.059 10.972 -10.310 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.605 10.363 -9.484 1.00 0.00 H new ATOM 1398 N SER A 89 -2.138 8.861 -12.390 1.00 0.00 N ATOM 1399 CA SER A 89 -1.477 7.590 -11.981 1.00 0.00 C ATOM 1400 C SER A 89 -0.097 7.503 -12.633 1.00 0.00 C ATOM 1401 O SER A 89 0.047 7.678 -13.827 1.00 0.00 O ATOM 1402 CB SER A 89 -2.332 6.404 -12.430 1.00 0.00 C ATOM 1403 OG SER A 89 -2.301 6.314 -13.848 1.00 0.00 O ATOM 0 H SER A 89 -2.473 8.886 -13.353 1.00 0.00 H new ATOM 0 HA SER A 89 -1.368 7.567 -10.897 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.956 5.482 -11.987 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.358 6.529 -12.084 1.00 0.00 H new ATOM 0 HG SER A 89 -1.539 6.825 -14.192 1.00 0.00 H new ATOM 1409 N SER A 90 0.921 7.237 -11.861 1.00 0.00 N ATOM 1410 CA SER A 90 2.291 7.144 -12.439 1.00 0.00 C ATOM 1411 C SER A 90 2.409 5.868 -13.276 1.00 0.00 C ATOM 1412 O SER A 90 3.093 5.836 -14.281 1.00 0.00 O ATOM 1413 CB SER A 90 3.320 7.106 -11.308 1.00 0.00 C ATOM 1414 OG SER A 90 3.547 8.428 -10.835 1.00 0.00 O ATOM 0 H SER A 90 0.863 7.080 -10.855 1.00 0.00 H new ATOM 0 HA SER A 90 2.476 8.012 -13.072 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.962 6.473 -10.496 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.253 6.670 -11.664 1.00 0.00 H new ATOM 0 HG SER A 90 4.205 8.407 -10.109 1.00 0.00 H new ATOM 1420 N GLU A 91 1.749 4.818 -12.873 1.00 0.00 N ATOM 1421 CA GLU A 91 1.827 3.548 -13.648 1.00 0.00 C ATOM 1422 C GLU A 91 0.596 2.690 -13.348 1.00 0.00 C ATOM 1423 O GLU A 91 0.111 2.649 -12.234 1.00 0.00 O ATOM 1424 CB GLU A 91 3.090 2.783 -13.247 1.00 0.00 C ATOM 1425 CG GLU A 91 4.182 3.015 -14.293 1.00 0.00 C ATOM 1426 CD GLU A 91 4.027 2.001 -15.428 1.00 0.00 C ATOM 1427 OE1 GLU A 91 4.378 0.850 -15.222 1.00 0.00 O ATOM 1428 OE2 GLU A 91 3.560 2.392 -16.485 1.00 0.00 O ATOM 0 H GLU A 91 1.159 4.784 -12.041 1.00 0.00 H new ATOM 0 HA GLU A 91 1.861 3.775 -14.714 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.434 3.116 -12.267 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.872 1.718 -13.164 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.114 4.029 -14.686 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.166 2.916 -13.835 1.00 0.00 H new ATOM 1435 N VAL A 92 0.086 2.003 -14.334 1.00 0.00 N ATOM 1436 CA VAL A 92 -1.112 1.147 -14.105 1.00 0.00 C ATOM 1437 C VAL A 92 -0.717 -0.324 -14.249 1.00 0.00 C ATOM 1438 O VAL A 92 -0.597 -0.841 -15.341 1.00 0.00 O ATOM 1439 CB VAL A 92 -2.190 1.491 -15.134 1.00 0.00 C ATOM 1440 CG1 VAL A 92 -3.426 0.624 -14.889 1.00 0.00 C ATOM 1441 CG2 VAL A 92 -2.570 2.967 -14.997 1.00 0.00 C ATOM 0 H VAL A 92 0.447 1.998 -15.288 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.501 1.324 -13.102 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.808 1.303 -16.137 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.194 0.870 -15.623 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.157 -0.428 -14.984 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.809 0.812 -13.886 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.338 3.214 -15.730 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.952 3.153 -13.993 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.690 3.587 -15.170 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.514 -1.002 -13.152 1.00 0.00 N ATOM 1452 CA VAL A 93 -0.124 -2.439 -13.225 1.00 0.00 C ATOM 1453 C VAL A 93 -1.374 -3.315 -13.099 1.00 0.00 C ATOM 1454 O VAL A 93 -2.299 -2.993 -12.380 1.00 0.00 O ATOM 1455 CB VAL A 93 0.845 -2.761 -12.087 1.00 0.00 C ATOM 1456 CG1 VAL A 93 1.944 -1.698 -12.037 1.00 0.00 C ATOM 1457 CG2 VAL A 93 0.086 -2.770 -10.758 1.00 0.00 C ATOM 0 H VAL A 93 -0.601 -0.623 -12.209 1.00 0.00 H new ATOM 0 HA VAL A 93 0.361 -2.637 -14.181 1.00 0.00 H new ATOM 0 HB VAL A 93 1.293 -3.740 -12.258 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.635 -1.927 -11.226 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.485 -1.689 -12.983 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.496 -0.719 -11.866 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.776 -3.000 -9.946 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.361 -1.791 -10.588 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.698 -3.526 -10.792 1.00 0.00 H new ATOM 1467 N GLY A 94 -1.407 -4.419 -13.793 1.00 0.00 N ATOM 1468 CA GLY A 94 -2.596 -5.314 -13.715 1.00 0.00 C ATOM 1469 C GLY A 94 -2.391 -6.345 -12.603 1.00 0.00 C ATOM 1470 O GLY A 94 -1.772 -6.069 -11.594 1.00 0.00 O ATOM 0 H GLY A 94 -0.662 -4.740 -14.411 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.493 -4.727 -13.519 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.747 -5.819 -14.669 1.00 0.00 H new ATOM 1474 N TRP A 95 -2.906 -7.530 -12.780 1.00 0.00 N ATOM 1475 CA TRP A 95 -2.745 -8.579 -11.733 1.00 0.00 C ATOM 1476 C TRP A 95 -1.495 -9.411 -12.030 1.00 0.00 C ATOM 1477 O TRP A 95 -1.291 -10.465 -11.461 1.00 0.00 O ATOM 1478 CB TRP A 95 -3.974 -9.491 -11.731 1.00 0.00 C ATOM 1479 CG TRP A 95 -4.880 -9.105 -10.607 1.00 0.00 C ATOM 1480 CD1 TRP A 95 -5.865 -8.181 -10.685 1.00 0.00 C ATOM 1481 CD2 TRP A 95 -4.903 -9.615 -9.242 1.00 0.00 C ATOM 1482 NE1 TRP A 95 -6.492 -8.090 -9.454 1.00 0.00 N ATOM 1483 CE2 TRP A 95 -5.934 -8.954 -8.533 1.00 0.00 C ATOM 1484 CE3 TRP A 95 -4.137 -10.576 -8.556 1.00 0.00 C ATOM 1485 CZ2 TRP A 95 -6.197 -9.238 -7.191 1.00 0.00 C ATOM 1486 CZ3 TRP A 95 -4.397 -10.865 -7.207 1.00 0.00 C ATOM 1487 CH2 TRP A 95 -5.425 -10.196 -6.526 1.00 0.00 C ATOM 0 H TRP A 95 -3.432 -7.818 -13.605 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.642 -8.104 -10.757 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.502 -9.410 -12.681 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.668 -10.532 -11.624 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.121 -7.608 -11.564 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.270 -7.462 -9.252 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.343 -11.095 -9.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.990 -8.722 -6.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.803 -11.605 -6.691 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.620 -10.421 -5.488 1.00 0.00 H new ATOM 1498 N ASN A 96 -0.655 -8.946 -12.915 1.00 0.00 N ATOM 1499 CA ASN A 96 0.579 -9.714 -13.244 1.00 0.00 C ATOM 1500 C ASN A 96 1.701 -9.319 -12.278 1.00 0.00 C ATOM 1501 O ASN A 96 1.742 -8.202 -11.801 1.00 0.00 O ATOM 1502 CB ASN A 96 1.010 -9.399 -14.678 1.00 0.00 C ATOM 1503 CG ASN A 96 -0.219 -9.385 -15.591 1.00 0.00 C ATOM 1504 OD1 ASN A 96 -1.255 -9.915 -15.242 1.00 0.00 O ATOM 1505 ND2 ASN A 96 -0.145 -8.796 -16.753 1.00 0.00 N ATOM 0 H ASN A 96 -0.770 -8.069 -13.423 1.00 0.00 H new ATOM 0 HA ASN A 96 0.376 -10.781 -13.150 1.00 0.00 H new ATOM 0 HB2 ASN A 96 1.513 -8.433 -14.714 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.726 -10.144 -15.026 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.958 -8.780 -17.369 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.725 -8.351 -17.045 1.00 0.00 H new ATOM 1512 N PRO A 97 2.582 -10.251 -12.024 1.00 0.00 N ATOM 1513 CA PRO A 97 3.727 -10.038 -11.121 1.00 0.00 C ATOM 1514 C PRO A 97 4.821 -9.240 -11.835 1.00 0.00 C ATOM 1515 O PRO A 97 5.502 -8.429 -11.239 1.00 0.00 O ATOM 1516 CB PRO A 97 4.201 -11.458 -10.801 1.00 0.00 C ATOM 1517 CG PRO A 97 3.689 -12.358 -11.950 1.00 0.00 C ATOM 1518 CD PRO A 97 2.521 -11.605 -12.613 1.00 0.00 C ATOM 0 HA PRO A 97 3.472 -9.471 -10.225 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.288 -11.498 -10.731 1.00 0.00 H new ATOM 0 HB3 PRO A 97 3.807 -11.792 -9.841 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.482 -12.554 -12.671 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.360 -13.324 -11.568 1.00 0.00 H new ATOM 0 HD2 PRO A 97 2.632 -11.573 -13.697 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.566 -12.088 -12.404 1.00 0.00 H new ATOM 1526 N HIS A 98 4.992 -9.461 -13.109 1.00 0.00 N ATOM 1527 CA HIS A 98 6.037 -8.714 -13.863 1.00 0.00 C ATOM 1528 C HIS A 98 5.702 -7.221 -13.843 1.00 0.00 C ATOM 1529 O HIS A 98 6.569 -6.377 -13.941 1.00 0.00 O ATOM 1530 CB HIS A 98 6.069 -9.209 -15.312 1.00 0.00 C ATOM 1531 CG HIS A 98 7.439 -8.986 -15.891 1.00 0.00 C ATOM 1532 ND1 HIS A 98 8.594 -9.149 -15.143 1.00 0.00 N ATOM 1533 CD2 HIS A 98 7.855 -8.618 -17.148 1.00 0.00 C ATOM 1534 CE1 HIS A 98 9.639 -8.881 -15.948 1.00 0.00 C ATOM 1535 NE2 HIS A 98 9.244 -8.552 -17.181 1.00 0.00 N ATOM 0 H HIS A 98 4.452 -10.128 -13.661 1.00 0.00 H new ATOM 0 HA HIS A 98 7.011 -8.877 -13.401 1.00 0.00 H new ATOM 0 HB2 HIS A 98 5.815 -10.268 -15.351 1.00 0.00 H new ATOM 0 HB3 HIS A 98 5.322 -8.680 -15.904 1.00 0.00 H new ATOM 0 HD2 HIS A 98 7.202 -8.411 -17.983 1.00 0.00 H new ATOM 0 HE1 HIS A 98 10.672 -8.926 -15.635 1.00 0.00 H new ATOM 0 HE2 HIS A 98 9.834 -8.305 -17.976 1.00 0.00 H new ATOM 1543 N CYS A 99 4.444 -6.890 -13.717 1.00 0.00 N ATOM 1544 CA CYS A 99 4.046 -5.454 -13.691 1.00 0.00 C ATOM 1545 C CYS A 99 4.352 -4.857 -12.316 1.00 0.00 C ATOM 1546 O CYS A 99 4.538 -3.664 -12.175 1.00 0.00 O ATOM 1547 CB CYS A 99 2.547 -5.339 -13.974 1.00 0.00 C ATOM 1548 SG CYS A 99 2.210 -5.860 -15.674 1.00 0.00 S ATOM 0 H CYS A 99 3.675 -7.554 -13.631 1.00 0.00 H new ATOM 0 HA CYS A 99 4.606 -4.910 -14.452 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.986 -5.959 -13.275 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.216 -4.311 -13.825 1.00 0.00 H new ATOM 0 HG CYS A 99 0.936 -5.764 -15.913 1.00 0.00 H new ATOM 1554 N ILE A 100 4.399 -5.673 -11.298 1.00 0.00 N ATOM 1555 CA ILE A 100 4.687 -5.146 -9.932 1.00 0.00 C ATOM 1556 C ILE A 100 6.124 -4.622 -9.874 1.00 0.00 C ATOM 1557 O ILE A 100 6.362 -3.468 -9.577 1.00 0.00 O ATOM 1558 CB ILE A 100 4.513 -6.268 -8.905 1.00 0.00 C ATOM 1559 CG1 ILE A 100 3.146 -6.931 -9.101 1.00 0.00 C ATOM 1560 CG2 ILE A 100 4.597 -5.683 -7.494 1.00 0.00 C ATOM 1561 CD1 ILE A 100 2.040 -5.948 -8.711 1.00 0.00 C ATOM 0 H ILE A 100 4.251 -6.681 -11.352 1.00 0.00 H new ATOM 0 HA ILE A 100 3.996 -4.334 -9.706 1.00 0.00 H new ATOM 0 HB ILE A 100 5.300 -7.010 -9.039 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.025 -7.238 -10.140 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.077 -7.833 -8.492 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.473 -6.481 -6.761 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.569 -5.209 -7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.809 -4.942 -7.360 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.068 -6.420 -8.851 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.158 -5.663 -7.666 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.105 -5.059 -9.339 1.00 0.00 H new ATOM 1573 N ARG A 101 7.085 -5.461 -10.153 1.00 0.00 N ATOM 1574 CA ARG A 101 8.505 -5.009 -10.110 1.00 0.00 C ATOM 1575 C ARG A 101 8.740 -3.951 -11.190 1.00 0.00 C ATOM 1576 O ARG A 101 9.527 -3.041 -11.022 1.00 0.00 O ATOM 1577 CB ARG A 101 9.427 -6.204 -10.360 1.00 0.00 C ATOM 1578 CG ARG A 101 10.799 -5.930 -9.741 1.00 0.00 C ATOM 1579 CD ARG A 101 11.461 -7.255 -9.357 1.00 0.00 C ATOM 1580 NE ARG A 101 12.571 -7.550 -10.305 1.00 0.00 N ATOM 1581 CZ ARG A 101 13.790 -7.181 -10.017 1.00 0.00 C ATOM 1582 NH1 ARG A 101 14.023 -5.968 -9.603 1.00 0.00 N ATOM 1583 NH2 ARG A 101 14.774 -8.028 -10.146 1.00 0.00 N ATOM 0 H ARG A 101 6.948 -6.439 -10.409 1.00 0.00 H new ATOM 0 HA ARG A 101 8.719 -4.581 -9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.995 -7.107 -9.928 1.00 0.00 H new ATOM 0 HB3 ARG A 101 9.528 -6.381 -11.431 1.00 0.00 H new ATOM 0 HG2 ARG A 101 11.427 -5.389 -10.449 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.692 -5.296 -8.861 1.00 0.00 H new ATOM 0 HD2 ARG A 101 11.844 -7.200 -8.338 1.00 0.00 H new ATOM 0 HD3 ARG A 101 10.727 -8.060 -9.379 1.00 0.00 H new ATOM 0 HE ARG A 101 12.379 -8.040 -11.179 1.00 0.00 H new ATOM 0 HH11 ARG A 101 13.253 -5.306 -9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 101 14.975 -5.680 -9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 101 14.591 -8.977 -10.471 1.00 0.00 H new ATOM 0 HH22 ARG A 101 15.727 -7.741 -9.921 1.00 0.00 H new ATOM 1597 N ASP A 102 8.066 -4.065 -12.301 1.00 0.00 N ATOM 1598 CA ASP A 102 8.253 -3.070 -13.395 1.00 0.00 C ATOM 1599 C ASP A 102 7.795 -1.688 -12.921 1.00 0.00 C ATOM 1600 O ASP A 102 8.345 -0.677 -13.311 1.00 0.00 O ATOM 1601 CB ASP A 102 7.424 -3.491 -14.610 1.00 0.00 C ATOM 1602 CG ASP A 102 8.328 -4.181 -15.634 1.00 0.00 C ATOM 1603 OD1 ASP A 102 9.530 -3.987 -15.557 1.00 0.00 O ATOM 1604 OD2 ASP A 102 7.802 -4.889 -16.476 1.00 0.00 O ATOM 0 H ASP A 102 7.393 -4.805 -12.499 1.00 0.00 H new ATOM 0 HA ASP A 102 9.308 -3.026 -13.667 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.625 -4.166 -14.302 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.949 -2.619 -15.059 1.00 0.00 H new ATOM 1609 N ALA A 103 6.793 -1.635 -12.089 1.00 0.00 N ATOM 1610 CA ALA A 103 6.300 -0.317 -11.600 1.00 0.00 C ATOM 1611 C ALA A 103 7.337 0.308 -10.662 1.00 0.00 C ATOM 1612 O ALA A 103 7.543 1.505 -10.659 1.00 0.00 O ATOM 1613 CB ALA A 103 4.984 -0.514 -10.844 1.00 0.00 C ATOM 0 H ALA A 103 6.294 -2.447 -11.726 1.00 0.00 H new ATOM 0 HA ALA A 103 6.138 0.345 -12.451 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.622 0.450 -10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.243 -0.954 -11.512 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.148 -1.178 -9.995 1.00 0.00 H new ATOM 1619 N LEU A 104 7.990 -0.492 -9.865 1.00 0.00 N ATOM 1620 CA LEU A 104 9.009 0.059 -8.928 1.00 0.00 C ATOM 1621 C LEU A 104 10.296 0.376 -9.693 1.00 0.00 C ATOM 1622 O LEU A 104 11.101 1.179 -9.265 1.00 0.00 O ATOM 1623 CB LEU A 104 9.306 -0.970 -7.836 1.00 0.00 C ATOM 1624 CG LEU A 104 8.018 -1.305 -7.085 1.00 0.00 C ATOM 1625 CD1 LEU A 104 8.150 -2.681 -6.430 1.00 0.00 C ATOM 1626 CD2 LEU A 104 7.769 -0.249 -6.005 1.00 0.00 C ATOM 0 H LEU A 104 7.862 -1.503 -9.822 1.00 0.00 H new ATOM 0 HA LEU A 104 8.625 0.973 -8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.727 -1.873 -8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.051 -0.577 -7.144 1.00 0.00 H new ATOM 0 HG LEU A 104 7.183 -1.315 -7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.231 -2.919 -5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.328 -3.434 -7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.986 -2.672 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.850 -0.487 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.605 -0.239 -5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.674 0.732 -6.470 1.00 0.00 H new ATOM 1638 N GLU A 105 10.498 -0.247 -10.822 1.00 0.00 N ATOM 1639 CA GLU A 105 11.734 0.021 -11.609 1.00 0.00 C ATOM 1640 C GLU A 105 11.798 1.508 -11.968 1.00 0.00 C ATOM 1641 O GLU A 105 12.830 2.139 -11.858 1.00 0.00 O ATOM 1642 CB GLU A 105 11.717 -0.814 -12.892 1.00 0.00 C ATOM 1643 CG GLU A 105 13.061 -1.529 -13.053 1.00 0.00 C ATOM 1644 CD GLU A 105 12.823 -2.977 -13.483 1.00 0.00 C ATOM 1645 OE1 GLU A 105 11.782 -3.239 -14.065 1.00 0.00 O ATOM 1646 OE2 GLU A 105 13.684 -3.802 -13.224 1.00 0.00 O ATOM 0 H GLU A 105 9.861 -0.929 -11.233 1.00 0.00 H new ATOM 0 HA GLU A 105 12.607 -0.248 -11.014 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.907 -1.543 -12.854 1.00 0.00 H new ATOM 0 HB3 GLU A 105 11.528 -0.173 -13.753 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.672 -1.014 -13.795 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.613 -1.504 -12.113 1.00 0.00 H new ATOM 1653 N ASP A 106 10.702 2.073 -12.394 1.00 0.00 N ATOM 1654 CA ASP A 106 10.703 3.519 -12.757 1.00 0.00 C ATOM 1655 C ASP A 106 11.066 4.351 -11.526 1.00 0.00 C ATOM 1656 O ASP A 106 11.829 5.294 -11.605 1.00 0.00 O ATOM 1657 CB ASP A 106 9.313 3.922 -13.254 1.00 0.00 C ATOM 1658 CG ASP A 106 9.393 4.322 -14.728 1.00 0.00 C ATOM 1659 OD1 ASP A 106 10.301 5.060 -15.072 1.00 0.00 O ATOM 1660 OD2 ASP A 106 8.545 3.884 -15.488 1.00 0.00 O ATOM 0 H ASP A 106 9.807 1.597 -12.506 1.00 0.00 H new ATOM 0 HA ASP A 106 11.435 3.696 -13.545 1.00 0.00 H new ATOM 0 HB2 ASP A 106 8.616 3.093 -13.129 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.930 4.753 -12.661 1.00 0.00 H new ATOM 1665 N ALA A 107 10.526 4.011 -10.387 1.00 0.00 N ATOM 1666 CA ALA A 107 10.842 4.783 -9.153 1.00 0.00 C ATOM 1667 C ALA A 107 12.246 4.412 -8.670 1.00 0.00 C ATOM 1668 O ALA A 107 12.826 5.084 -7.841 1.00 0.00 O ATOM 1669 CB ALA A 107 9.822 4.444 -8.064 1.00 0.00 C ATOM 0 H ALA A 107 9.880 3.232 -10.258 1.00 0.00 H new ATOM 0 HA ALA A 107 10.800 5.851 -9.369 1.00 0.00 H new ATOM 0 HB1 ALA A 107 10.053 5.009 -7.161 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.821 4.704 -8.409 1.00 0.00 H new ATOM 0 HB3 ALA A 107 9.864 3.377 -7.845 1.00 0.00 H new ATOM 1675 N LEU A 108 12.795 3.346 -9.185 1.00 0.00 N ATOM 1676 CA LEU A 108 14.161 2.929 -8.760 1.00 0.00 C ATOM 1677 C LEU A 108 15.194 3.506 -9.730 1.00 0.00 C ATOM 1678 O LEU A 108 16.386 3.412 -9.510 1.00 0.00 O ATOM 1679 CB LEU A 108 14.251 1.402 -8.768 1.00 0.00 C ATOM 1680 CG LEU A 108 14.301 0.886 -7.329 1.00 0.00 C ATOM 1681 CD1 LEU A 108 12.982 1.208 -6.625 1.00 0.00 C ATOM 1682 CD2 LEU A 108 14.514 -0.630 -7.340 1.00 0.00 C ATOM 0 H LEU A 108 12.356 2.745 -9.883 1.00 0.00 H new ATOM 0 HA LEU A 108 14.360 3.300 -7.755 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.391 0.979 -9.287 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.140 1.082 -9.311 1.00 0.00 H new ATOM 0 HG LEU A 108 15.123 1.367 -6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.018 0.840 -5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.827 2.287 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.160 0.727 -7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 108 14.550 -1.000 -6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 108 13.691 -1.109 -7.870 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.453 -0.862 -7.843 1.00 0.00 H new ATOM 1694 N ASP A 109 14.749 4.100 -10.804 1.00 0.00 N ATOM 1695 CA ASP A 109 15.705 4.680 -11.788 1.00 0.00 C ATOM 1696 C ASP A 109 16.193 6.042 -11.290 1.00 0.00 C ATOM 1697 O ASP A 109 17.350 6.214 -10.958 1.00 0.00 O ATOM 1698 CB ASP A 109 15.003 4.856 -13.137 1.00 0.00 C ATOM 1699 CG ASP A 109 15.936 4.406 -14.263 1.00 0.00 C ATOM 1700 OD1 ASP A 109 15.937 3.225 -14.568 1.00 0.00 O ATOM 1701 OD2 ASP A 109 16.634 5.250 -14.799 1.00 0.00 O ATOM 0 H ASP A 109 13.763 4.208 -11.042 1.00 0.00 H new ATOM 0 HA ASP A 109 16.556 4.009 -11.902 1.00 0.00 H new ATOM 0 HB2 ASP A 109 14.083 4.272 -13.158 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.722 5.900 -13.279 1.00 0.00 H new ATOM 1706 N VAL A 110 15.323 7.012 -11.235 1.00 0.00 N ATOM 1707 CA VAL A 110 15.739 8.361 -10.761 1.00 0.00 C ATOM 1708 C VAL A 110 15.317 8.545 -9.301 1.00 0.00 C ATOM 1709 O VAL A 110 15.924 9.290 -8.559 1.00 0.00 O ATOM 1710 CB VAL A 110 15.072 9.432 -11.625 1.00 0.00 C ATOM 1711 CG1 VAL A 110 15.698 9.424 -13.020 1.00 0.00 C ATOM 1712 CG2 VAL A 110 13.575 9.136 -11.738 1.00 0.00 C ATOM 0 H VAL A 110 14.341 6.928 -11.498 1.00 0.00 H new ATOM 0 HA VAL A 110 16.822 8.454 -10.838 1.00 0.00 H new ATOM 0 HB VAL A 110 15.216 10.410 -11.167 1.00 0.00 H new ATOM 0 HG11 VAL A 110 15.223 10.187 -13.636 1.00 0.00 H new ATOM 0 HG12 VAL A 110 16.765 9.633 -12.941 1.00 0.00 H new ATOM 0 HG13 VAL A 110 15.553 8.446 -13.478 1.00 0.00 H new ATOM 0 HG21 VAL A 110 13.099 9.899 -12.354 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.431 8.158 -12.197 1.00 0.00 H new ATOM 0 HG23 VAL A 110 13.127 9.140 -10.744 1.00 0.00 H new ATOM 1722 N ILE A 111 14.279 7.872 -8.883 1.00 0.00 N ATOM 1723 CA ILE A 111 13.823 8.011 -7.472 1.00 0.00 C ATOM 1724 C ILE A 111 13.296 9.429 -7.244 1.00 0.00 C ATOM 1725 O ILE A 111 12.968 9.744 -6.111 1.00 0.00 O ATOM 1726 CB ILE A 111 14.996 7.745 -6.527 1.00 0.00 C ATOM 1727 CG1 ILE A 111 15.692 6.444 -6.935 1.00 0.00 C ATOM 1728 CG2 ILE A 111 14.480 7.617 -5.093 1.00 0.00 C ATOM 1729 CD1 ILE A 111 17.207 6.656 -6.944 1.00 0.00 C ATOM 1730 OXT ILE A 111 13.232 10.177 -8.205 1.00 0.00 O ATOM 0 H ILE A 111 13.729 7.233 -9.457 1.00 0.00 H new ATOM 0 HA ILE A 111 13.028 7.291 -7.275 1.00 0.00 H new ATOM 0 HB ILE A 111 15.703 8.572 -6.585 1.00 0.00 H new ATOM 0 HG12 ILE A 111 15.430 5.646 -6.240 1.00 0.00 H new ATOM 0 HG13 ILE A 111 15.352 6.132 -7.922 1.00 0.00 H new ATOM 0 HG21 ILE A 111 15.317 7.427 -4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 111 13.983 8.542 -4.801 1.00 0.00 H new ATOM 0 HG23 ILE A 111 13.772 6.790 -5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 111 17.702 5.730 -7.235 1.00 0.00 H new ATOM 0 HD12 ILE A 111 17.460 7.442 -7.656 1.00 0.00 H new ATOM 0 HD13 ILE A 111 17.539 6.948 -5.948 1.00 0.00 H new TER 1742 ILE A 111