USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 GLN : amide:sc= -3.35 K(o=-9.1,f=-6.9) USER MOD Set 1.2: A 54 LYS NZ :NH3+ -107:sc= -5.77! (180deg=-5.87!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0303 USER MOD Single : A 6 LYS NZ :NH3+ -155:sc= 0.338 (180deg=-0.395) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.963 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= -0.037 (180deg=-0.337) USER MOD Single : A 26 TYR OH : rot 2:sc= -0.685 USER MOD Single : A 28 THR OG1 : rot -31:sc= -1.06! USER MOD Single : A 30 CYS SG : rot 180:sc= -0.51 USER MOD Single : A 33 CYS SG : rot 176:sc= -2.22 USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= -0.0489 (180deg=-0.262) USER MOD Single : A 35 MET CE :methyl 158:sc= -0.195 (180deg=-0.868) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -29:sc= 0.558 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.2!) USER MOD Single : A 66 LYS NZ :NH3+ 167:sc= -0.0497 (180deg=-0.261) USER MOD Single : A 67 ASN : amide:sc= -3.52! C(o=-3.5!,f=-3.6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -119:sc= -10! (180deg=-17.2!) USER MOD Single : A 74 THR OG1 : rot 100:sc= -2.48! USER MOD Single : A 79 LYS NZ :NH3+ -134:sc= -1.41 (180deg=-4.3!) USER MOD Single : A 80 ASN : amide:sc= -0.351 K(o=-0.35,f=-2.6) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.663 K(o=0.66,f=-4.6!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.966! K(o=-0.97!,f=0) USER MOD Single : A 102 ASN : amide:sc= -0.0239 K(o=-0.024,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.162 10.104 3.709 1.00 0.00 N ATOM 21 CA VAL A 2 -3.386 8.668 3.600 1.00 0.00 C ATOM 22 C VAL A 2 -4.834 8.379 3.202 1.00 0.00 C ATOM 23 O VAL A 2 -5.765 8.950 3.770 1.00 0.00 O ATOM 24 CB VAL A 2 -3.057 7.949 4.927 1.00 0.00 C ATOM 25 CG1 VAL A 2 -4.106 8.252 5.990 1.00 0.00 C ATOM 26 CG2 VAL A 2 -2.914 6.450 4.707 1.00 0.00 C ATOM 0 HA VAL A 2 -2.719 8.288 2.826 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.102 8.329 5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.849 7.733 6.913 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.138 9.326 6.174 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -5.083 7.914 5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.682 5.964 5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.848 6.049 4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.109 6.262 3.996 1.00 0.00 H new ATOM 36 N THR A 3 -5.020 7.500 2.222 1.00 0.00 N ATOM 37 CA THR A 3 -6.361 7.159 1.757 1.00 0.00 C ATOM 38 C THR A 3 -6.422 5.727 1.226 1.00 0.00 C ATOM 39 O THR A 3 -5.407 5.155 0.827 1.00 0.00 O ATOM 40 CB THR A 3 -6.801 8.137 0.667 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.824 9.464 1.164 1.00 0.00 O ATOM 42 CG2 THR A 3 -8.171 7.836 0.099 1.00 0.00 C ATOM 0 H THR A 3 -4.266 7.014 1.737 1.00 0.00 H new ATOM 0 HA THR A 3 -7.039 7.232 2.608 1.00 0.00 H new ATOM 0 HB THR A 3 -6.067 8.024 -0.130 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.106 10.075 0.452 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.416 8.570 -0.668 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.172 6.838 -0.340 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.913 7.882 0.896 1.00 0.00 H new ATOM 50 N GLN A 4 -7.627 5.163 1.212 1.00 0.00 N ATOM 51 CA GLN A 4 -7.838 3.807 0.715 1.00 0.00 C ATOM 52 C GLN A 4 -8.194 3.862 -0.769 1.00 0.00 C ATOM 53 O GLN A 4 -8.242 4.940 -1.362 1.00 0.00 O ATOM 54 CB GLN A 4 -8.987 3.118 1.461 1.00 0.00 C ATOM 55 CG GLN A 4 -8.934 3.239 2.977 1.00 0.00 C ATOM 56 CD GLN A 4 -9.274 4.632 3.472 1.00 0.00 C ATOM 57 OE1 GLN A 4 -10.290 5.209 3.085 1.00 0.00 O ATOM 58 NE2 GLN A 4 -8.436 5.171 4.348 1.00 0.00 N ATOM 0 H GLN A 4 -8.474 5.626 1.540 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.920 3.242 0.874 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.930 3.537 1.111 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.990 2.061 1.196 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.628 2.523 3.418 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.936 2.970 3.323 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.605 4.657 4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.623 6.099 4.728 1.00 0.00 H new ATOM 67 N PHE A 5 -8.475 2.706 -1.358 1.00 0.00 N ATOM 68 CA PHE A 5 -8.863 2.647 -2.763 1.00 0.00 C ATOM 69 C PHE A 5 -10.081 1.752 -2.958 1.00 0.00 C ATOM 70 O PHE A 5 -9.957 0.534 -3.062 1.00 0.00 O ATOM 71 CB PHE A 5 -7.714 2.148 -3.640 1.00 0.00 C ATOM 72 CG PHE A 5 -6.592 3.134 -3.785 1.00 0.00 C ATOM 73 CD1 PHE A 5 -6.854 4.493 -3.891 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.278 2.703 -3.845 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.826 5.401 -4.050 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.247 3.609 -4.003 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.522 4.958 -4.107 1.00 0.00 C ATOM 0 H PHE A 5 -8.442 1.801 -0.888 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.117 3.662 -3.067 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.321 1.224 -3.217 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.103 1.906 -4.629 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.874 4.844 -3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.057 1.649 -3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.043 6.456 -4.130 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.225 3.262 -4.045 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.716 5.666 -4.233 1.00 0.00 H new ATOM 87 N LYS A 6 -11.259 2.367 -3.010 1.00 0.00 N ATOM 88 CA LYS A 6 -12.502 1.628 -3.198 1.00 0.00 C ATOM 89 C LYS A 6 -12.650 1.180 -4.650 1.00 0.00 C ATOM 90 O LYS A 6 -13.252 0.145 -4.933 1.00 0.00 O ATOM 91 CB LYS A 6 -13.701 2.489 -2.796 1.00 0.00 C ATOM 92 CG LYS A 6 -13.691 2.905 -1.333 1.00 0.00 C ATOM 93 CD LYS A 6 -13.730 1.696 -0.412 1.00 0.00 C ATOM 94 CE LYS A 6 -13.725 2.112 1.051 1.00 0.00 C ATOM 95 NZ LYS A 6 -12.509 2.897 1.401 1.00 0.00 N ATOM 0 H LYS A 6 -11.378 3.376 -2.924 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.470 0.744 -2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.720 3.383 -3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.618 1.938 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.797 3.493 -1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.548 3.547 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.623 1.106 -0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.871 1.056 -0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.614 2.706 1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.778 1.224 1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.316 2.803 2.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.696 2.538 0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.664 3.899 1.169 1.00 0.00 H new ATOM 109 N THR A 7 -12.091 1.966 -5.567 1.00 0.00 N ATOM 110 CA THR A 7 -12.155 1.647 -6.988 1.00 0.00 C ATOM 111 C THR A 7 -10.763 1.692 -7.608 1.00 0.00 C ATOM 112 O THR A 7 -10.007 2.640 -7.390 1.00 0.00 O ATOM 113 CB THR A 7 -13.083 2.624 -7.713 1.00 0.00 C ATOM 114 OG1 THR A 7 -12.623 3.955 -7.564 1.00 0.00 O ATOM 115 CG2 THR A 7 -14.511 2.573 -7.217 1.00 0.00 C ATOM 0 H THR A 7 -11.589 2.827 -5.350 1.00 0.00 H new ATOM 0 HA THR A 7 -12.554 0.638 -7.095 1.00 0.00 H new ATOM 0 HB THR A 7 -13.068 2.315 -8.758 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.228 4.565 -8.035 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.115 3.290 -7.773 1.00 0.00 H new ATOM 0 HG22 THR A 7 -14.912 1.570 -7.364 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.537 2.822 -6.156 1.00 0.00 H new ATOM 123 N ALA A 8 -10.425 0.661 -8.376 1.00 0.00 N ATOM 124 CA ALA A 8 -9.118 0.587 -9.018 1.00 0.00 C ATOM 125 C ALA A 8 -8.863 1.801 -9.899 1.00 0.00 C ATOM 126 O ALA A 8 -7.714 2.175 -10.136 1.00 0.00 O ATOM 127 CB ALA A 8 -8.994 -0.696 -9.826 1.00 0.00 C ATOM 0 H ALA A 8 -11.036 -0.132 -8.568 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.361 0.581 -8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.012 -0.735 -10.298 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.113 -1.555 -9.166 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.767 -0.719 -10.594 1.00 0.00 H new ATOM 133 N SER A 9 -9.935 2.424 -10.372 1.00 0.00 N ATOM 134 CA SER A 9 -9.812 3.606 -11.210 1.00 0.00 C ATOM 135 C SER A 9 -9.062 4.712 -10.470 1.00 0.00 C ATOM 136 O SER A 9 -8.533 5.636 -11.087 1.00 0.00 O ATOM 137 CB SER A 9 -11.195 4.106 -11.631 1.00 0.00 C ATOM 138 OG SER A 9 -11.888 3.118 -12.376 1.00 0.00 O ATOM 0 H SER A 9 -10.895 2.131 -10.190 1.00 0.00 H new ATOM 0 HA SER A 9 -9.247 3.336 -12.102 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.774 4.372 -10.747 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.092 5.011 -12.229 1.00 0.00 H new ATOM 0 HG SER A 9 -12.770 3.460 -12.632 1.00 0.00 H new ATOM 144 N GLU A 10 -9.020 4.607 -9.143 1.00 0.00 N ATOM 145 CA GLU A 10 -8.337 5.591 -8.320 1.00 0.00 C ATOM 146 C GLU A 10 -6.884 5.202 -8.095 1.00 0.00 C ATOM 147 O GLU A 10 -5.998 6.055 -8.029 1.00 0.00 O ATOM 148 CB GLU A 10 -9.052 5.750 -6.975 1.00 0.00 C ATOM 149 CG GLU A 10 -10.486 6.238 -7.102 1.00 0.00 C ATOM 150 CD GLU A 10 -11.177 6.379 -5.759 1.00 0.00 C ATOM 151 OE1 GLU A 10 -10.537 6.089 -4.727 1.00 0.00 O ATOM 152 OE2 GLU A 10 -12.362 6.777 -5.741 1.00 0.00 O ATOM 0 H GLU A 10 -9.453 3.847 -8.618 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.358 6.544 -8.849 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.048 4.792 -6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.492 6.451 -6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.494 7.201 -7.613 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.049 5.542 -7.724 1.00 0.00 H new ATOM 159 N PHE A 11 -6.654 3.905 -7.970 1.00 0.00 N ATOM 160 CA PHE A 11 -5.318 3.375 -7.742 1.00 0.00 C ATOM 161 C PHE A 11 -4.477 3.453 -9.014 1.00 0.00 C ATOM 162 O PHE A 11 -3.253 3.582 -8.957 1.00 0.00 O ATOM 163 CB PHE A 11 -5.410 1.923 -7.261 1.00 0.00 C ATOM 164 CG PHE A 11 -4.119 1.362 -6.724 1.00 0.00 C ATOM 165 CD1 PHE A 11 -2.986 2.155 -6.600 1.00 0.00 C ATOM 166 CD2 PHE A 11 -4.044 0.035 -6.334 1.00 0.00 C ATOM 167 CE1 PHE A 11 -1.809 1.633 -6.102 1.00 0.00 C ATOM 168 CE2 PHE A 11 -2.870 -0.491 -5.833 1.00 0.00 C ATOM 169 CZ PHE A 11 -1.751 0.309 -5.718 1.00 0.00 C ATOM 0 H PHE A 11 -7.383 3.193 -8.023 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.833 3.979 -6.975 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.171 1.858 -6.484 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.746 1.299 -8.089 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.026 3.193 -6.897 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.916 -0.597 -6.423 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.934 2.260 -6.013 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.827 -1.527 -5.531 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.831 -0.101 -5.328 1.00 0.00 H new ATOM 179 N ASP A 12 -5.139 3.374 -10.164 1.00 0.00 N ATOM 180 CA ASP A 12 -4.452 3.433 -11.451 1.00 0.00 C ATOM 181 C ASP A 12 -3.563 4.672 -11.547 1.00 0.00 C ATOM 182 O ASP A 12 -2.359 4.568 -11.777 1.00 0.00 O ATOM 183 CB ASP A 12 -5.469 3.432 -12.594 1.00 0.00 C ATOM 184 CG ASP A 12 -4.810 3.458 -13.960 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.045 2.518 -14.267 1.00 0.00 O ATOM 186 OD2 ASP A 12 -5.058 4.415 -14.722 1.00 0.00 O ATOM 0 H ASP A 12 -6.151 3.269 -10.232 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.818 2.550 -11.533 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.098 2.546 -12.515 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.124 4.298 -12.494 1.00 0.00 H new ATOM 191 N SER A 13 -4.167 5.843 -11.370 1.00 0.00 N ATOM 192 CA SER A 13 -3.432 7.101 -11.438 1.00 0.00 C ATOM 193 C SER A 13 -2.347 7.161 -10.367 1.00 0.00 C ATOM 194 O SER A 13 -1.258 7.686 -10.602 1.00 0.00 O ATOM 195 CB SER A 13 -4.389 8.282 -11.271 1.00 0.00 C ATOM 196 OG SER A 13 -5.060 8.225 -10.024 1.00 0.00 O ATOM 0 H SER A 13 -5.163 5.947 -11.178 1.00 0.00 H new ATOM 0 HA SER A 13 -2.955 7.159 -12.416 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.834 9.217 -11.346 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.119 8.279 -12.080 1.00 0.00 H new ATOM 0 HG SER A 13 -5.664 8.992 -9.942 1.00 0.00 H new ATOM 202 N ALA A 14 -2.655 6.627 -9.190 1.00 0.00 N ATOM 203 CA ALA A 14 -1.713 6.621 -8.075 1.00 0.00 C ATOM 204 C ALA A 14 -0.341 6.099 -8.499 1.00 0.00 C ATOM 205 O ALA A 14 0.679 6.742 -8.255 1.00 0.00 O ATOM 206 CB ALA A 14 -2.264 5.790 -6.926 1.00 0.00 C ATOM 0 H ALA A 14 -3.553 6.191 -8.982 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.585 7.651 -7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.552 5.793 -6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.210 6.215 -6.591 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.425 4.766 -7.262 1.00 0.00 H new ATOM 212 N ILE A 15 -0.324 4.929 -9.129 1.00 0.00 N ATOM 213 CA ILE A 15 0.925 4.325 -9.580 1.00 0.00 C ATOM 214 C ILE A 15 1.457 5.010 -10.834 1.00 0.00 C ATOM 215 O ILE A 15 2.632 5.362 -10.902 1.00 0.00 O ATOM 216 CB ILE A 15 0.758 2.811 -9.844 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.291 2.555 -10.931 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.382 2.091 -8.555 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.557 1.086 -11.183 1.00 0.00 C ATOM 0 H ILE A 15 -1.159 4.381 -9.339 1.00 0.00 H new ATOM 0 HA ILE A 15 1.648 4.461 -8.776 1.00 0.00 H new ATOM 0 HB ILE A 15 1.711 2.418 -10.200 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.224 3.041 -10.645 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.039 3.020 -11.860 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.267 1.025 -8.754 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.167 2.239 -7.813 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.557 2.492 -8.175 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.310 0.981 -11.964 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.365 0.598 -11.500 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.918 0.619 -10.267 1.00 0.00 H new ATOM 231 N ALA A 16 0.590 5.190 -11.827 1.00 0.00 N ATOM 232 CA ALA A 16 0.975 5.819 -13.089 1.00 0.00 C ATOM 233 C ALA A 16 1.858 7.048 -12.883 1.00 0.00 C ATOM 234 O ALA A 16 1.362 8.148 -12.638 1.00 0.00 O ATOM 235 CB ALA A 16 -0.265 6.193 -13.887 1.00 0.00 C ATOM 0 H ALA A 16 -0.389 4.908 -11.782 1.00 0.00 H new ATOM 0 HA ALA A 16 1.563 5.090 -13.646 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.033 6.661 -14.825 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.846 5.295 -14.098 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.872 6.891 -13.310 1.00 0.00 H new ATOM 241 N GLN A 17 3.172 6.850 -13.001 1.00 0.00 N ATOM 242 CA GLN A 17 4.134 7.937 -12.844 1.00 0.00 C ATOM 243 C GLN A 17 3.811 8.791 -11.626 1.00 0.00 C ATOM 244 O GLN A 17 3.088 9.782 -11.729 1.00 0.00 O ATOM 245 CB GLN A 17 4.152 8.811 -14.100 1.00 0.00 C ATOM 246 CG GLN A 17 4.540 8.055 -15.360 1.00 0.00 C ATOM 247 CD GLN A 17 4.562 8.945 -16.588 1.00 0.00 C ATOM 248 OE1 GLN A 17 3.548 9.536 -16.957 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.721 9.040 -17.227 1.00 0.00 N ATOM 0 H GLN A 17 3.593 5.944 -13.205 1.00 0.00 H new ATOM 0 HA GLN A 17 5.119 7.493 -12.697 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.165 9.252 -14.240 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.851 9.634 -13.950 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.524 7.607 -15.222 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.837 7.238 -15.520 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.536 8.531 -16.884 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.797 9.622 -18.061 1.00 0.00 H new ATOM 258 N ASP A 18 4.349 8.409 -10.474 1.00 0.00 N ATOM 259 CA ASP A 18 4.103 9.157 -9.253 1.00 0.00 C ATOM 260 C ASP A 18 5.008 8.685 -8.119 1.00 0.00 C ATOM 261 O ASP A 18 4.578 8.598 -6.970 1.00 0.00 O ATOM 262 CB ASP A 18 2.633 9.033 -8.846 1.00 0.00 C ATOM 263 CG ASP A 18 2.216 10.070 -7.819 1.00 0.00 C ATOM 264 OD1 ASP A 18 2.784 10.074 -6.708 1.00 0.00 O ATOM 265 OD2 ASP A 18 1.318 10.881 -8.128 1.00 0.00 O ATOM 0 H ASP A 18 4.952 7.594 -10.362 1.00 0.00 H new ATOM 0 HA ASP A 18 4.332 10.205 -9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.006 9.134 -9.732 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.456 8.036 -8.442 1.00 0.00 H new ATOM 270 N LYS A 19 6.270 8.394 -8.439 1.00 0.00 N ATOM 271 CA LYS A 19 7.224 7.957 -7.426 1.00 0.00 C ATOM 272 C LYS A 19 6.852 6.575 -6.900 1.00 0.00 C ATOM 273 O LYS A 19 6.217 5.785 -7.600 1.00 0.00 O ATOM 274 CB LYS A 19 7.264 9.004 -6.307 1.00 0.00 C ATOM 275 CG LYS A 19 7.756 10.368 -6.775 1.00 0.00 C ATOM 276 CD LYS A 19 7.479 11.451 -5.746 1.00 0.00 C ATOM 277 CE LYS A 19 7.896 12.822 -6.255 1.00 0.00 C ATOM 278 NZ LYS A 19 7.142 13.215 -7.478 1.00 0.00 N ATOM 0 H LYS A 19 6.650 8.453 -9.384 1.00 0.00 H new ATOM 0 HA LYS A 19 8.220 7.870 -7.860 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.265 9.111 -5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.913 8.646 -5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.827 10.320 -6.973 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.269 10.627 -7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.417 11.460 -5.502 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.016 11.225 -4.825 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.732 13.564 -5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.964 12.819 -6.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.247 14.237 -7.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.516 12.697 -8.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.135 12.986 -7.354 1.00 0.00 H new ATOM 292 N LEU A 20 7.263 6.278 -5.679 1.00 0.00 N ATOM 293 CA LEU A 20 6.985 4.981 -5.077 1.00 0.00 C ATOM 294 C LEU A 20 5.769 5.055 -4.164 1.00 0.00 C ATOM 295 O LEU A 20 5.787 5.730 -3.135 1.00 0.00 O ATOM 296 CB LEU A 20 8.190 4.501 -4.269 1.00 0.00 C ATOM 297 CG LEU A 20 8.007 3.143 -3.590 1.00 0.00 C ATOM 298 CD1 LEU A 20 7.832 2.047 -4.629 1.00 0.00 C ATOM 299 CD2 LEU A 20 9.186 2.841 -2.677 1.00 0.00 C ATOM 0 H LEU A 20 7.791 6.916 -5.083 1.00 0.00 H new ATOM 0 HA LEU A 20 6.781 4.276 -5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.055 4.447 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.418 5.245 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 20 7.105 3.179 -2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.703 1.088 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.953 2.259 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.714 2.007 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.039 1.871 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.105 2.823 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.260 3.613 -1.911 1.00 0.00 H new ATOM 311 N VAL A 21 4.714 4.354 -4.555 1.00 0.00 N ATOM 312 CA VAL A 21 3.480 4.328 -3.786 1.00 0.00 C ATOM 313 C VAL A 21 3.344 3.017 -3.021 1.00 0.00 C ATOM 314 O VAL A 21 3.382 1.937 -3.609 1.00 0.00 O ATOM 315 CB VAL A 21 2.248 4.509 -4.696 1.00 0.00 C ATOM 316 CG1 VAL A 21 0.967 4.521 -3.875 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.374 5.783 -5.520 1.00 0.00 C ATOM 0 H VAL A 21 4.690 3.793 -5.406 1.00 0.00 H new ATOM 0 HA VAL A 21 3.525 5.157 -3.080 1.00 0.00 H new ATOM 0 HB VAL A 21 2.202 3.662 -5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.111 4.650 -4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.871 3.578 -3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.000 5.344 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.496 5.894 -6.156 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.450 6.642 -4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.267 5.727 -6.142 1.00 0.00 H new ATOM 327 N VAL A 22 3.180 3.117 -1.707 1.00 0.00 N ATOM 328 CA VAL A 22 3.031 1.939 -0.866 1.00 0.00 C ATOM 329 C VAL A 22 1.566 1.695 -0.538 1.00 0.00 C ATOM 330 O VAL A 22 1.016 2.297 0.385 1.00 0.00 O ATOM 331 CB VAL A 22 3.828 2.075 0.446 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.708 0.808 1.282 1.00 0.00 C ATOM 333 CG2 VAL A 22 5.285 2.395 0.151 1.00 0.00 C ATOM 0 H VAL A 22 3.147 4.003 -1.202 1.00 0.00 H new ATOM 0 HA VAL A 22 3.426 1.092 -1.428 1.00 0.00 H new ATOM 0 HB VAL A 22 3.407 2.899 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.278 0.925 2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.660 0.629 1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.100 -0.038 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.834 2.488 1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.720 1.594 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.347 3.333 -0.400 1.00 0.00 H new ATOM 343 N VAL A 23 0.937 0.814 -1.304 1.00 0.00 N ATOM 344 CA VAL A 23 -0.467 0.496 -1.102 1.00 0.00 C ATOM 345 C VAL A 23 -0.629 -0.848 -0.403 1.00 0.00 C ATOM 346 O VAL A 23 -0.040 -1.848 -0.811 1.00 0.00 O ATOM 347 CB VAL A 23 -1.225 0.468 -2.439 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.716 0.273 -2.207 1.00 0.00 C ATOM 349 CG2 VAL A 23 -0.958 1.743 -3.223 1.00 0.00 C ATOM 0 H VAL A 23 1.379 0.307 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.888 1.279 -0.471 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.864 -0.377 -3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.234 0.256 -3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.883 -0.671 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.100 1.094 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.501 1.710 -4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.291 2.603 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.110 1.831 -3.421 1.00 0.00 H new ATOM 359 N ASP A 24 -1.433 -0.860 0.652 1.00 0.00 N ATOM 360 CA ASP A 24 -1.675 -2.078 1.412 1.00 0.00 C ATOM 361 C ASP A 24 -3.004 -2.711 1.003 1.00 0.00 C ATOM 362 O ASP A 24 -4.026 -2.033 0.931 1.00 0.00 O ATOM 363 CB ASP A 24 -1.674 -1.772 2.912 1.00 0.00 C ATOM 364 CG ASP A 24 -1.874 -3.012 3.760 1.00 0.00 C ATOM 365 OD1 ASP A 24 -2.928 -3.664 3.620 1.00 0.00 O ATOM 366 OD2 ASP A 24 -0.973 -3.332 4.565 1.00 0.00 O ATOM 0 H ASP A 24 -1.929 -0.039 1.001 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.875 -2.786 1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.729 -1.300 3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.464 -1.054 3.133 1.00 0.00 H new ATOM 371 N PHE A 25 -2.980 -4.012 0.734 1.00 0.00 N ATOM 372 CA PHE A 25 -4.169 -4.734 0.328 1.00 0.00 C ATOM 373 C PHE A 25 -4.781 -5.472 1.511 1.00 0.00 C ATOM 374 O PHE A 25 -5.063 -6.668 1.436 1.00 0.00 O ATOM 375 CB PHE A 25 -3.805 -5.730 -0.766 1.00 0.00 C ATOM 376 CG PHE A 25 -3.530 -5.113 -2.105 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.563 -4.132 -2.262 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.224 -5.549 -3.215 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.296 -3.596 -3.510 1.00 0.00 C ATOM 380 CE2 PHE A 25 -3.968 -5.017 -4.463 1.00 0.00 C ATOM 381 CZ PHE A 25 -3.001 -4.041 -4.612 1.00 0.00 C ATOM 0 H PHE A 25 -2.140 -4.588 0.792 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.902 -4.021 -0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.925 -6.290 -0.451 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.619 -6.448 -0.871 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.012 -3.782 -1.401 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.977 -6.316 -3.106 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.540 -2.833 -3.622 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.523 -5.363 -5.322 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.797 -3.627 -5.588 1.00 0.00 H new ATOM 391 N TYR A 26 -4.986 -4.747 2.605 1.00 0.00 N ATOM 392 CA TYR A 26 -5.569 -5.328 3.807 1.00 0.00 C ATOM 393 C TYR A 26 -6.897 -6.013 3.493 1.00 0.00 C ATOM 394 O TYR A 26 -7.723 -5.477 2.760 1.00 0.00 O ATOM 395 CB TYR A 26 -5.750 -4.245 4.880 1.00 0.00 C ATOM 396 CG TYR A 26 -6.361 -2.950 4.368 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.586 -2.939 3.711 1.00 0.00 C ATOM 398 CD2 TYR A 26 -5.706 -1.734 4.545 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.137 -1.761 3.245 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.253 -0.556 4.087 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.469 -0.572 3.438 1.00 0.00 C ATOM 402 OH TYR A 26 -8.016 0.605 2.977 1.00 0.00 O ATOM 0 H TYR A 26 -4.757 -3.756 2.684 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.888 -6.088 4.191 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.381 -4.641 5.676 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.779 -4.024 5.323 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.116 -3.868 3.562 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.752 -1.714 5.051 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.087 -1.772 2.732 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.731 0.378 4.236 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.889 0.423 2.570 1.00 0.00 H new ATOM 412 N ALA A 27 -7.093 -7.209 4.039 1.00 0.00 N ATOM 413 CA ALA A 27 -8.321 -7.955 3.796 1.00 0.00 C ATOM 414 C ALA A 27 -9.533 -7.182 4.294 1.00 0.00 C ATOM 415 O ALA A 27 -9.418 -6.327 5.172 1.00 0.00 O ATOM 416 CB ALA A 27 -8.262 -9.322 4.460 1.00 0.00 C ATOM 0 H ALA A 27 -6.423 -7.679 4.648 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.419 -8.095 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.189 -9.861 4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.422 -9.887 4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.133 -9.199 5.535 1.00 0.00 H new ATOM 422 N THR A 28 -10.694 -7.485 3.729 1.00 0.00 N ATOM 423 CA THR A 28 -11.923 -6.812 4.122 1.00 0.00 C ATOM 424 C THR A 28 -12.587 -7.509 5.311 1.00 0.00 C ATOM 425 O THR A 28 -13.700 -7.155 5.702 1.00 0.00 O ATOM 426 CB THR A 28 -12.901 -6.761 2.951 1.00 0.00 C ATOM 427 OG1 THR A 28 -14.157 -6.260 3.376 1.00 0.00 O ATOM 428 CG2 THR A 28 -13.138 -8.110 2.306 1.00 0.00 C ATOM 0 H THR A 28 -10.810 -8.189 3.000 1.00 0.00 H new ATOM 0 HA THR A 28 -11.659 -5.797 4.420 1.00 0.00 H new ATOM 0 HB THR A 28 -12.439 -6.104 2.214 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.310 -6.510 4.311 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.843 -8.000 1.482 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.195 -8.503 1.927 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.548 -8.799 3.044 1.00 0.00 H new ATOM 436 N TRP A 29 -11.909 -8.507 5.872 1.00 0.00 N ATOM 437 CA TRP A 29 -12.447 -9.259 7.003 1.00 0.00 C ATOM 438 C TRP A 29 -11.465 -9.314 8.172 1.00 0.00 C ATOM 439 O TRP A 29 -11.875 -9.262 9.332 1.00 0.00 O ATOM 440 CB TRP A 29 -12.795 -10.681 6.562 1.00 0.00 C ATOM 441 CG TRP A 29 -11.732 -11.299 5.709 1.00 0.00 C ATOM 442 CD1 TRP A 29 -11.559 -11.126 4.366 1.00 0.00 C ATOM 443 CD2 TRP A 29 -10.668 -12.151 6.145 1.00 0.00 C ATOM 444 NE1 TRP A 29 -10.467 -11.841 3.935 1.00 0.00 N ATOM 445 CE2 TRP A 29 -9.902 -12.475 5.010 1.00 0.00 C ATOM 446 CE3 TRP A 29 -10.296 -12.678 7.384 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -8.784 -13.300 5.078 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -9.185 -13.495 7.451 1.00 0.00 C ATOM 449 CH2 TRP A 29 -8.439 -13.800 6.305 1.00 0.00 C ATOM 0 H TRP A 29 -10.987 -8.814 5.562 1.00 0.00 H new ATOM 0 HA TRP A 29 -13.344 -8.742 7.344 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.954 -11.302 7.444 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.735 -10.666 6.010 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -12.188 -10.516 3.734 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.132 -11.891 2.973 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.866 -12.451 8.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.209 -13.537 4.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.886 -13.906 8.404 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.575 -14.442 6.391 1.00 0.00 H new ATOM 460 N CYS A 30 -10.173 -9.436 7.858 1.00 0.00 N ATOM 461 CA CYS A 30 -9.116 -9.517 8.875 1.00 0.00 C ATOM 462 C CYS A 30 -9.499 -8.783 10.163 1.00 0.00 C ATOM 463 O CYS A 30 -9.841 -9.411 11.165 1.00 0.00 O ATOM 464 CB CYS A 30 -7.809 -8.947 8.319 1.00 0.00 C ATOM 465 SG CYS A 30 -6.422 -9.009 9.478 1.00 0.00 S ATOM 0 H CYS A 30 -9.829 -9.481 6.899 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.982 -10.570 9.124 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.540 -9.498 7.418 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.974 -7.911 8.022 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.363 -8.507 8.915 1.00 0.00 H new ATOM 471 N GLY A 31 -9.445 -7.454 10.128 1.00 0.00 N ATOM 472 CA GLY A 31 -9.796 -6.670 11.300 1.00 0.00 C ATOM 473 C GLY A 31 -8.679 -5.745 11.748 1.00 0.00 C ATOM 474 O GLY A 31 -8.696 -4.554 11.436 1.00 0.00 O ATOM 0 H GLY A 31 -9.166 -6.908 9.313 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.685 -6.079 11.082 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.053 -7.343 12.118 1.00 0.00 H new ATOM 478 N PRO A 32 -7.683 -6.267 12.484 1.00 0.00 N ATOM 479 CA PRO A 32 -6.553 -5.468 12.971 1.00 0.00 C ATOM 480 C PRO A 32 -5.817 -4.755 11.840 1.00 0.00 C ATOM 481 O PRO A 32 -5.119 -3.766 12.066 1.00 0.00 O ATOM 482 CB PRO A 32 -5.634 -6.498 13.645 1.00 0.00 C ATOM 483 CG PRO A 32 -6.108 -7.829 13.163 1.00 0.00 C ATOM 484 CD PRO A 32 -7.576 -7.672 12.899 1.00 0.00 C ATOM 0 HA PRO A 32 -6.882 -4.675 13.643 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.592 -6.331 13.374 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.696 -6.429 14.731 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.578 -8.128 12.259 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.926 -8.602 13.909 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.922 -8.351 12.120 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.171 -7.878 13.789 1.00 0.00 H new ATOM 492 N CYS A 33 -5.978 -5.265 10.622 1.00 0.00 N ATOM 493 CA CYS A 33 -5.332 -4.681 9.452 1.00 0.00 C ATOM 494 C CYS A 33 -5.642 -3.190 9.339 1.00 0.00 C ATOM 495 O CYS A 33 -4.815 -2.407 8.874 1.00 0.00 O ATOM 496 CB CYS A 33 -5.797 -5.400 8.186 1.00 0.00 C ATOM 497 SG CYS A 33 -7.581 -5.303 7.905 1.00 0.00 S ATOM 0 H CYS A 33 -6.552 -6.084 10.420 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.255 -4.801 9.566 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -5.280 -4.974 7.327 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.505 -6.448 8.247 1.00 0.00 H new ATOM 0 HG CYS A 33 -7.872 -5.858 6.766 1.00 0.00 H new ATOM 503 N LYS A 34 -6.844 -2.808 9.759 1.00 0.00 N ATOM 504 CA LYS A 34 -7.271 -1.414 9.697 1.00 0.00 C ATOM 505 C LYS A 34 -6.427 -0.534 10.614 1.00 0.00 C ATOM 506 O LYS A 34 -6.327 0.676 10.404 1.00 0.00 O ATOM 507 CB LYS A 34 -8.748 -1.295 10.072 1.00 0.00 C ATOM 508 CG LYS A 34 -9.669 -2.104 9.173 1.00 0.00 C ATOM 509 CD LYS A 34 -11.124 -1.957 9.587 1.00 0.00 C ATOM 510 CE LYS A 34 -12.041 -2.781 8.697 1.00 0.00 C ATOM 511 NZ LYS A 34 -11.943 -2.374 7.269 1.00 0.00 N ATOM 0 H LYS A 34 -7.540 -3.445 10.146 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.132 -1.068 8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.880 -1.622 11.103 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.042 -0.246 10.030 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.549 -1.778 8.140 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.384 -3.155 9.210 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.242 -2.272 10.624 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.414 -0.907 9.537 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.786 -3.837 8.792 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.071 -2.670 9.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.738 -2.782 6.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.976 -1.337 7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.046 -2.719 6.871 1.00 0.00 H new ATOM 525 N MET A 35 -5.811 -1.142 11.624 1.00 0.00 N ATOM 526 CA MET A 35 -4.969 -0.403 12.558 1.00 0.00 C ATOM 527 C MET A 35 -3.694 0.091 11.874 1.00 0.00 C ATOM 528 O MET A 35 -2.923 0.854 12.456 1.00 0.00 O ATOM 529 CB MET A 35 -4.612 -1.279 13.761 1.00 0.00 C ATOM 530 CG MET A 35 -5.822 -1.763 14.542 1.00 0.00 C ATOM 531 SD MET A 35 -5.372 -2.784 15.958 1.00 0.00 S ATOM 532 CE MET A 35 -4.380 -1.631 16.904 1.00 0.00 C ATOM 0 H MET A 35 -5.879 -2.141 11.816 1.00 0.00 H new ATOM 0 HA MET A 35 -5.531 0.464 12.904 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.044 -2.143 13.415 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.960 -0.716 14.429 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.395 -0.902 14.887 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.473 -2.334 13.879 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.353 -1.945 17.947 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.366 -1.611 16.505 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.817 -0.635 16.836 1.00 0.00 H new ATOM 542 N ILE A 36 -3.483 -0.344 10.634 1.00 0.00 N ATOM 543 CA ILE A 36 -2.312 0.050 9.864 1.00 0.00 C ATOM 544 C ILE A 36 -2.564 1.347 9.094 1.00 0.00 C ATOM 545 O ILE A 36 -1.624 2.028 8.686 1.00 0.00 O ATOM 546 CB ILE A 36 -1.908 -1.066 8.883 1.00 0.00 C ATOM 547 CG1 ILE A 36 -1.445 -2.301 9.655 1.00 0.00 C ATOM 548 CG2 ILE A 36 -0.824 -0.585 7.935 1.00 0.00 C ATOM 549 CD1 ILE A 36 -0.999 -3.438 8.765 1.00 0.00 C ATOM 0 H ILE A 36 -4.115 -0.974 10.140 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.498 0.220 10.569 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.779 -1.335 8.285 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.622 -2.021 10.313 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.259 -2.647 10.292 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.555 -1.390 7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.192 0.268 7.364 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.054 -0.287 8.508 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.684 -4.280 9.381 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.826 -3.745 8.125 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.164 -3.109 8.146 1.00 0.00 H new ATOM 561 N ALA A 37 -3.835 1.687 8.907 1.00 0.00 N ATOM 562 CA ALA A 37 -4.206 2.904 8.194 1.00 0.00 C ATOM 563 C ALA A 37 -3.516 4.140 8.777 1.00 0.00 C ATOM 564 O ALA A 37 -3.018 4.981 8.028 1.00 0.00 O ATOM 565 CB ALA A 37 -5.717 3.081 8.209 1.00 0.00 C ATOM 0 H ALA A 37 -4.626 1.136 9.240 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.868 2.799 7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.982 3.993 7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.188 2.226 7.724 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.065 3.151 9.240 1.00 0.00 H new ATOM 571 N PRO A 38 -3.465 4.277 10.119 1.00 0.00 N ATOM 572 CA PRO A 38 -2.820 5.427 10.751 1.00 0.00 C ATOM 573 C PRO A 38 -1.307 5.361 10.614 1.00 0.00 C ATOM 574 O PRO A 38 -0.651 6.382 10.410 1.00 0.00 O ATOM 575 CB PRO A 38 -3.250 5.337 12.215 1.00 0.00 C ATOM 576 CG PRO A 38 -3.598 3.905 12.441 1.00 0.00 C ATOM 577 CD PRO A 38 -4.017 3.333 11.110 1.00 0.00 C ATOM 0 HA PRO A 38 -3.109 6.371 10.289 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.447 5.655 12.880 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.104 5.984 12.414 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.744 3.360 12.842 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.404 3.815 13.169 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.621 2.328 10.966 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.102 3.262 11.031 1.00 0.00 H new ATOM 585 N MET A 39 -0.752 4.155 10.695 1.00 0.00 N ATOM 586 CA MET A 39 0.671 3.972 10.540 1.00 0.00 C ATOM 587 C MET A 39 1.078 4.353 9.127 1.00 0.00 C ATOM 588 O MET A 39 1.918 5.225 8.924 1.00 0.00 O ATOM 589 CB MET A 39 1.045 2.524 10.828 1.00 0.00 C ATOM 590 CG MET A 39 1.220 2.218 12.305 1.00 0.00 C ATOM 591 SD MET A 39 -0.309 2.397 13.242 1.00 0.00 S ATOM 592 CE MET A 39 0.250 1.971 14.889 1.00 0.00 C ATOM 0 H MET A 39 -1.274 3.296 10.867 1.00 0.00 H new ATOM 0 HA MET A 39 1.199 4.612 11.247 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.273 1.871 10.420 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.972 2.287 10.305 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.593 1.200 12.419 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.976 2.883 12.722 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.586 2.036 15.585 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.644 0.955 14.888 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.033 2.663 15.198 1.00 0.00 H new ATOM 602 N ILE A 40 0.442 3.712 8.148 1.00 0.00 N ATOM 603 CA ILE A 40 0.704 3.994 6.740 1.00 0.00 C ATOM 604 C ILE A 40 0.770 5.502 6.490 1.00 0.00 C ATOM 605 O ILE A 40 1.445 5.963 5.569 1.00 0.00 O ATOM 606 CB ILE A 40 -0.386 3.360 5.841 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.284 1.836 5.887 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.272 3.855 4.406 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.303 1.129 5.015 1.00 0.00 C ATOM 0 H ILE A 40 -0.262 2.991 8.306 1.00 0.00 H new ATOM 0 HA ILE A 40 1.669 3.554 6.487 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.361 3.663 6.224 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.717 1.538 5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.408 1.504 6.918 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.050 3.393 3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.390 4.938 4.384 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.706 3.589 4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.169 0.051 5.100 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.308 1.396 5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.166 1.431 3.977 1.00 0.00 H new ATOM 621 N GLU A 41 0.067 6.260 7.326 1.00 0.00 N ATOM 622 CA GLU A 41 0.040 7.711 7.216 1.00 0.00 C ATOM 623 C GLU A 41 1.282 8.335 7.851 1.00 0.00 C ATOM 624 O GLU A 41 1.842 9.298 7.327 1.00 0.00 O ATOM 625 CB GLU A 41 -1.219 8.250 7.896 1.00 0.00 C ATOM 626 CG GLU A 41 -1.318 9.768 7.890 1.00 0.00 C ATOM 627 CD GLU A 41 -2.575 10.272 8.571 1.00 0.00 C ATOM 628 OE1 GLU A 41 -2.754 9.986 9.774 1.00 0.00 O ATOM 629 OE2 GLU A 41 -3.381 10.951 7.901 1.00 0.00 O ATOM 0 H GLU A 41 -0.495 5.888 8.092 1.00 0.00 H new ATOM 0 HA GLU A 41 0.031 7.978 6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.095 7.836 7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.243 7.898 8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.445 10.187 8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.298 10.126 6.861 1.00 0.00 H new ATOM 636 N LYS A 42 1.701 7.785 8.986 1.00 0.00 N ATOM 637 CA LYS A 42 2.870 8.291 9.700 1.00 0.00 C ATOM 638 C LYS A 42 4.145 8.125 8.879 1.00 0.00 C ATOM 639 O LYS A 42 5.073 8.925 8.993 1.00 0.00 O ATOM 640 CB LYS A 42 3.022 7.576 11.044 1.00 0.00 C ATOM 641 CG LYS A 42 1.851 7.801 11.987 1.00 0.00 C ATOM 642 CD LYS A 42 2.042 7.060 13.301 1.00 0.00 C ATOM 643 CE LYS A 42 3.291 7.530 14.031 1.00 0.00 C ATOM 644 NZ LYS A 42 3.478 6.820 15.327 1.00 0.00 N ATOM 0 H LYS A 42 1.248 6.987 9.432 1.00 0.00 H new ATOM 0 HA LYS A 42 2.715 9.356 9.872 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.135 6.506 10.867 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.938 7.918 11.527 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.740 8.868 12.183 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.929 7.467 11.510 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.169 7.213 13.936 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.113 5.989 13.109 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.164 7.367 13.399 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.224 8.603 14.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.340 7.169 15.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.657 6.996 15.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.568 5.799 15.153 1.00 0.00 H new ATOM 658 N PHE A 43 4.191 7.083 8.052 1.00 0.00 N ATOM 659 CA PHE A 43 5.364 6.828 7.220 1.00 0.00 C ATOM 660 C PHE A 43 5.427 7.790 6.038 1.00 0.00 C ATOM 661 O PHE A 43 6.484 7.978 5.437 1.00 0.00 O ATOM 662 CB PHE A 43 5.374 5.383 6.718 1.00 0.00 C ATOM 663 CG PHE A 43 5.603 4.366 7.801 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.682 4.198 8.824 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.743 3.578 7.797 1.00 0.00 C ATOM 666 CE1 PHE A 43 4.894 3.264 9.819 1.00 0.00 C ATOM 667 CE2 PHE A 43 6.960 2.641 8.789 1.00 0.00 C ATOM 668 CZ PHE A 43 6.034 2.484 9.801 1.00 0.00 C ATOM 0 H PHE A 43 3.436 6.406 7.940 1.00 0.00 H new ATOM 0 HA PHE A 43 6.244 6.990 7.842 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.423 5.171 6.229 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.152 5.276 5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.789 4.805 8.843 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.471 3.698 7.008 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.169 3.144 10.610 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.852 2.033 8.773 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.201 1.752 10.578 1.00 0.00 H new ATOM 678 N SER A 44 4.293 8.401 5.709 1.00 0.00 N ATOM 679 CA SER A 44 4.231 9.345 4.599 1.00 0.00 C ATOM 680 C SER A 44 4.921 10.665 4.950 1.00 0.00 C ATOM 681 O SER A 44 5.079 11.535 4.094 1.00 0.00 O ATOM 682 CB SER A 44 2.777 9.606 4.206 1.00 0.00 C ATOM 683 OG SER A 44 2.697 10.523 3.128 1.00 0.00 O ATOM 0 H SER A 44 3.407 8.260 6.194 1.00 0.00 H new ATOM 0 HA SER A 44 4.758 8.901 3.755 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.299 8.668 3.926 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.230 9.999 5.063 1.00 0.00 H new ATOM 0 HG SER A 44 3.464 11.132 3.159 1.00 0.00 H new ATOM 689 N GLU A 45 5.329 10.810 6.209 1.00 0.00 N ATOM 690 CA GLU A 45 5.998 12.027 6.655 1.00 0.00 C ATOM 691 C GLU A 45 7.510 11.916 6.483 1.00 0.00 C ATOM 692 O GLU A 45 8.200 12.923 6.322 1.00 0.00 O ATOM 693 CB GLU A 45 5.662 12.310 8.121 1.00 0.00 C ATOM 694 CG GLU A 45 4.177 12.506 8.378 1.00 0.00 C ATOM 695 CD GLU A 45 3.869 12.782 9.836 1.00 0.00 C ATOM 696 OE1 GLU A 45 4.380 13.789 10.371 1.00 0.00 O ATOM 697 OE2 GLU A 45 3.117 11.991 10.444 1.00 0.00 O ATOM 0 H GLU A 45 5.208 10.103 6.934 1.00 0.00 H new ATOM 0 HA GLU A 45 5.641 12.852 6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.022 11.484 8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.199 13.203 8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.813 13.335 7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.636 11.615 8.059 1.00 0.00 H new ATOM 704 N GLN A 46 8.020 10.689 6.519 1.00 0.00 N ATOM 705 CA GLN A 46 9.451 10.449 6.370 1.00 0.00 C ATOM 706 C GLN A 46 9.835 10.240 4.910 1.00 0.00 C ATOM 707 O GLN A 46 10.958 10.543 4.505 1.00 0.00 O ATOM 708 CB GLN A 46 9.870 9.241 7.203 1.00 0.00 C ATOM 709 CG GLN A 46 9.699 9.459 8.693 1.00 0.00 C ATOM 710 CD GLN A 46 10.118 8.254 9.513 1.00 0.00 C ATOM 711 OE1 GLN A 46 11.270 7.820 9.457 1.00 0.00 O ATOM 712 NE2 GLN A 46 9.184 7.707 10.283 1.00 0.00 N ATOM 0 H GLN A 46 7.463 9.845 6.650 1.00 0.00 H new ATOM 0 HA GLN A 46 9.977 11.334 6.729 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.282 8.375 6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.914 9.007 6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.287 10.324 8.999 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.655 9.692 8.904 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.242 8.099 10.299 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.408 6.895 10.858 1.00 0.00 H new ATOM 721 N TYR A 47 8.901 9.720 4.122 1.00 0.00 N ATOM 722 CA TYR A 47 9.154 9.476 2.707 1.00 0.00 C ATOM 723 C TYR A 47 8.123 10.190 1.833 1.00 0.00 C ATOM 724 O TYR A 47 7.549 9.595 0.923 1.00 0.00 O ATOM 725 CB TYR A 47 9.132 7.975 2.432 1.00 0.00 C ATOM 726 CG TYR A 47 10.152 7.207 3.238 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.505 7.266 2.927 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.759 6.426 4.314 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.437 6.563 3.665 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.686 5.718 5.059 1.00 0.00 C ATOM 731 CZ TYR A 47 12.023 5.790 4.729 1.00 0.00 C ATOM 732 OH TYR A 47 12.950 5.087 5.466 1.00 0.00 O ATOM 0 H TYR A 47 7.966 9.460 4.437 1.00 0.00 H new ATOM 0 HA TYR A 47 10.138 9.874 2.458 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.138 7.587 2.652 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.314 7.804 1.371 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.833 7.871 2.095 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.713 6.369 4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.485 6.618 3.410 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.364 5.113 5.894 1.00 0.00 H new ATOM 0 HH TYR A 47 12.494 4.594 6.180 1.00 0.00 H new ATOM 742 N PRO A 48 7.871 11.483 2.115 1.00 0.00 N ATOM 743 CA PRO A 48 6.906 12.300 1.377 1.00 0.00 C ATOM 744 C PRO A 48 6.836 11.980 -0.112 1.00 0.00 C ATOM 745 O PRO A 48 5.755 11.930 -0.697 1.00 0.00 O ATOM 746 CB PRO A 48 7.440 13.711 1.600 1.00 0.00 C ATOM 747 CG PRO A 48 8.048 13.674 2.963 1.00 0.00 C ATOM 748 CD PRO A 48 8.502 12.252 3.204 1.00 0.00 C ATOM 0 HA PRO A 48 5.886 12.133 1.723 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.178 13.979 0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.641 14.451 1.542 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.889 14.364 3.029 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.324 13.981 3.717 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.588 12.170 3.172 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.183 11.892 4.182 1.00 0.00 H new ATOM 756 N GLN A 49 7.993 11.768 -0.716 1.00 0.00 N ATOM 757 CA GLN A 49 8.067 11.454 -2.144 1.00 0.00 C ATOM 758 C GLN A 49 7.209 10.240 -2.481 1.00 0.00 C ATOM 759 O GLN A 49 6.612 10.162 -3.553 1.00 0.00 O ATOM 760 CB GLN A 49 9.514 11.197 -2.569 1.00 0.00 C ATOM 761 CG GLN A 49 10.434 12.386 -2.347 1.00 0.00 C ATOM 762 CD GLN A 49 11.862 12.103 -2.771 1.00 0.00 C ATOM 763 OE1 GLN A 49 12.502 11.181 -2.263 1.00 0.00 O ATOM 764 NE2 GLN A 49 12.372 12.899 -3.704 1.00 0.00 N ATOM 0 H GLN A 49 8.897 11.806 -0.245 1.00 0.00 H new ATOM 0 HA GLN A 49 7.685 12.316 -2.692 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.900 10.341 -2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.531 10.927 -3.625 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.056 13.243 -2.905 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.419 12.661 -1.292 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.806 13.651 -4.098 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.329 12.758 -4.027 1.00 0.00 H new ATOM 773 N ALA A 50 7.151 9.294 -1.554 1.00 0.00 N ATOM 774 CA ALA A 50 6.366 8.085 -1.753 1.00 0.00 C ATOM 775 C ALA A 50 4.940 8.280 -1.254 1.00 0.00 C ATOM 776 O ALA A 50 4.718 8.828 -0.174 1.00 0.00 O ATOM 777 CB ALA A 50 7.019 6.909 -1.044 1.00 0.00 C ATOM 0 H ALA A 50 7.637 9.341 -0.659 1.00 0.00 H new ATOM 0 HA ALA A 50 6.328 7.872 -2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.421 6.011 -1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.020 6.753 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.084 7.119 0.024 1.00 0.00 H new ATOM 783 N ASP A 51 3.975 7.825 -2.047 1.00 0.00 N ATOM 784 CA ASP A 51 2.570 7.950 -1.684 1.00 0.00 C ATOM 785 C ASP A 51 2.118 6.736 -0.888 1.00 0.00 C ATOM 786 O ASP A 51 2.223 5.600 -1.351 1.00 0.00 O ATOM 787 CB ASP A 51 1.707 8.106 -2.936 1.00 0.00 C ATOM 788 CG ASP A 51 2.087 9.328 -3.748 1.00 0.00 C ATOM 789 OD1 ASP A 51 3.250 9.404 -4.196 1.00 0.00 O ATOM 790 OD2 ASP A 51 1.222 10.209 -3.935 1.00 0.00 O ATOM 0 H ASP A 51 4.141 7.367 -2.943 1.00 0.00 H new ATOM 0 HA ASP A 51 2.453 8.839 -1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.806 7.215 -3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.659 8.177 -2.646 1.00 0.00 H new ATOM 795 N PHE A 52 1.629 6.982 0.320 1.00 0.00 N ATOM 796 CA PHE A 52 1.176 5.906 1.189 1.00 0.00 C ATOM 797 C PHE A 52 -0.336 5.732 1.124 1.00 0.00 C ATOM 798 O PHE A 52 -1.073 6.258 1.959 1.00 0.00 O ATOM 799 CB PHE A 52 1.626 6.165 2.626 1.00 0.00 C ATOM 800 CG PHE A 52 3.118 6.123 2.791 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.928 7.036 2.135 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.713 5.165 3.596 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.302 6.993 2.278 1.00 0.00 C ATOM 804 CE2 PHE A 52 5.086 5.117 3.743 1.00 0.00 C ATOM 805 CZ PHE A 52 5.881 6.032 3.084 1.00 0.00 C ATOM 0 H PHE A 52 1.536 7.916 0.719 1.00 0.00 H new ATOM 0 HA PHE A 52 1.628 4.978 0.838 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.258 7.140 2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.172 5.422 3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.480 7.790 1.505 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.096 4.447 4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.922 7.710 1.760 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.536 4.364 4.373 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.954 5.997 3.198 1.00 0.00 H new ATOM 815 N TYR A 53 -0.787 4.974 0.130 1.00 0.00 N ATOM 816 CA TYR A 53 -2.208 4.700 -0.053 1.00 0.00 C ATOM 817 C TYR A 53 -2.567 3.336 0.522 1.00 0.00 C ATOM 818 O TYR A 53 -1.733 2.672 1.137 1.00 0.00 O ATOM 819 CB TYR A 53 -2.572 4.749 -1.538 1.00 0.00 C ATOM 820 CG TYR A 53 -2.689 6.149 -2.097 1.00 0.00 C ATOM 821 CD1 TYR A 53 -3.780 6.952 -1.785 1.00 0.00 C ATOM 822 CD2 TYR A 53 -1.714 6.666 -2.941 1.00 0.00 C ATOM 823 CE1 TYR A 53 -3.895 8.229 -2.297 1.00 0.00 C ATOM 824 CE2 TYR A 53 -1.822 7.945 -3.456 1.00 0.00 C ATOM 825 CZ TYR A 53 -2.914 8.722 -3.133 1.00 0.00 C ATOM 826 OH TYR A 53 -3.026 9.993 -3.646 1.00 0.00 O ATOM 0 H TYR A 53 -0.184 4.536 -0.566 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.775 5.465 0.477 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.817 4.205 -2.105 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.518 4.229 -1.687 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.550 6.571 -1.131 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.858 6.060 -3.199 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.749 8.840 -2.044 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.054 8.333 -4.108 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.251 10.186 -4.215 1.00 0.00 H new ATOM 836 N LYS A 54 -3.812 2.920 0.322 1.00 0.00 N ATOM 837 CA LYS A 54 -4.268 1.635 0.825 1.00 0.00 C ATOM 838 C LYS A 54 -5.328 1.033 -0.092 1.00 0.00 C ATOM 839 O LYS A 54 -6.265 1.712 -0.509 1.00 0.00 O ATOM 840 CB LYS A 54 -4.798 1.795 2.249 1.00 0.00 C ATOM 841 CG LYS A 54 -3.766 2.387 3.198 1.00 0.00 C ATOM 842 CD LYS A 54 -4.286 2.493 4.624 1.00 0.00 C ATOM 843 CE LYS A 54 -5.571 3.298 4.696 1.00 0.00 C ATOM 844 NZ LYS A 54 -5.389 4.689 4.196 1.00 0.00 N ATOM 0 H LYS A 54 -4.520 3.453 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.424 0.946 0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.680 2.435 2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.116 0.823 2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.868 1.769 3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.476 3.377 2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.460 1.494 5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.529 2.960 5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.343 2.800 4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.923 3.327 5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.398 5.350 4.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.480 4.762 3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.163 4.927 3.543 1.00 0.00 H new ATOM 858 N LEU A 55 -5.160 -0.245 -0.417 1.00 0.00 N ATOM 859 CA LEU A 55 -6.087 -0.938 -1.301 1.00 0.00 C ATOM 860 C LEU A 55 -7.193 -1.627 -0.509 1.00 0.00 C ATOM 861 O LEU A 55 -6.932 -2.341 0.458 1.00 0.00 O ATOM 862 CB LEU A 55 -5.328 -1.960 -2.155 1.00 0.00 C ATOM 863 CG LEU A 55 -6.099 -2.504 -3.361 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.293 -3.333 -2.915 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.546 -1.363 -4.260 1.00 0.00 C ATOM 0 H LEU A 55 -4.389 -0.821 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.553 -0.200 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.407 -1.499 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.040 -2.798 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.432 -3.154 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.823 -3.707 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.948 -4.173 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.965 -2.713 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.093 -1.765 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.194 -0.690 -3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.673 -0.815 -4.614 1.00 0.00 H new ATOM 877 N ASP A 56 -8.432 -1.399 -0.932 1.00 0.00 N ATOM 878 CA ASP A 56 -9.591 -1.977 -0.282 1.00 0.00 C ATOM 879 C ASP A 56 -9.900 -3.368 -0.828 1.00 0.00 C ATOM 880 O ASP A 56 -10.056 -3.555 -2.033 1.00 0.00 O ATOM 881 CB ASP A 56 -10.788 -1.054 -0.486 1.00 0.00 C ATOM 882 CG ASP A 56 -10.663 0.237 0.299 1.00 0.00 C ATOM 883 OD1 ASP A 56 -10.571 0.167 1.542 1.00 0.00 O ATOM 884 OD2 ASP A 56 -10.658 1.316 -0.329 1.00 0.00 O ATOM 0 H ASP A 56 -8.655 -0.809 -1.734 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.379 -2.082 0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.888 -0.823 -1.546 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.698 -1.572 -0.185 1.00 0.00 H new ATOM 889 N VAL A 57 -9.999 -4.337 0.073 1.00 0.00 N ATOM 890 CA VAL A 57 -10.304 -5.712 -0.308 1.00 0.00 C ATOM 891 C VAL A 57 -11.798 -5.997 -0.139 1.00 0.00 C ATOM 892 O VAL A 57 -12.219 -7.150 -0.066 1.00 0.00 O ATOM 893 CB VAL A 57 -9.477 -6.714 0.532 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.812 -8.155 0.166 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.988 -6.452 0.340 1.00 0.00 C ATOM 0 H VAL A 57 -9.872 -4.197 1.075 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.037 -5.837 -1.357 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.734 -6.569 1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.214 -8.833 0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.870 -8.340 0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.592 -8.323 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.414 -7.162 0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.731 -6.569 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.753 -5.437 0.660 1.00 0.00 H new ATOM 905 N ASP A 58 -12.595 -4.931 -0.077 1.00 0.00 N ATOM 906 CA ASP A 58 -14.038 -5.063 0.089 1.00 0.00 C ATOM 907 C ASP A 58 -14.781 -4.631 -1.171 1.00 0.00 C ATOM 908 O ASP A 58 -15.782 -5.238 -1.552 1.00 0.00 O ATOM 909 CB ASP A 58 -14.506 -4.225 1.283 1.00 0.00 C ATOM 910 CG ASP A 58 -14.270 -2.740 1.086 1.00 0.00 C ATOM 911 OD1 ASP A 58 -14.901 -2.151 0.183 1.00 0.00 O ATOM 912 OD2 ASP A 58 -13.453 -2.164 1.835 1.00 0.00 O ATOM 0 H ASP A 58 -12.264 -3.968 -0.139 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.263 -6.114 0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.569 -4.400 1.450 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.983 -4.556 2.181 1.00 0.00 H new ATOM 917 N GLU A 59 -14.293 -3.571 -1.805 1.00 0.00 N ATOM 918 CA GLU A 59 -14.919 -3.049 -3.013 1.00 0.00 C ATOM 919 C GLU A 59 -14.187 -3.504 -4.273 1.00 0.00 C ATOM 920 O GLU A 59 -14.709 -3.378 -5.380 1.00 0.00 O ATOM 921 CB GLU A 59 -14.965 -1.522 -2.962 1.00 0.00 C ATOM 922 CG GLU A 59 -15.670 -0.891 -4.152 1.00 0.00 C ATOM 923 CD GLU A 59 -17.113 -1.338 -4.279 1.00 0.00 C ATOM 924 OE1 GLU A 59 -17.895 -1.095 -3.335 1.00 0.00 O ATOM 925 OE2 GLU A 59 -17.461 -1.932 -5.321 1.00 0.00 O ATOM 0 H GLU A 59 -13.466 -3.057 -1.502 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.934 -3.445 -3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.470 -1.213 -2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.946 -1.138 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.637 0.194 -4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.133 -1.146 -5.065 1.00 0.00 H new ATOM 932 N LEU A 60 -12.980 -4.032 -4.104 1.00 0.00 N ATOM 933 CA LEU A 60 -12.195 -4.498 -5.239 1.00 0.00 C ATOM 934 C LEU A 60 -12.199 -6.012 -5.315 1.00 0.00 C ATOM 935 O LEU A 60 -12.785 -6.605 -6.220 1.00 0.00 O ATOM 936 CB LEU A 60 -10.753 -3.986 -5.154 1.00 0.00 C ATOM 937 CG LEU A 60 -10.592 -2.465 -5.210 1.00 0.00 C ATOM 938 CD1 LEU A 60 -10.976 -1.830 -3.882 1.00 0.00 C ATOM 939 CD2 LEU A 60 -9.166 -2.093 -5.584 1.00 0.00 C ATOM 0 H LEU A 60 -12.527 -4.147 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.655 -4.101 -6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.311 -4.347 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.181 -4.425 -5.971 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.264 -2.081 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.853 -0.749 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.016 -2.064 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.334 -2.221 -3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.070 -1.008 -5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.478 -2.494 -4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.926 -2.510 -6.562 1.00 0.00 H new ATOM 951 N GLY A 61 -11.539 -6.620 -4.355 1.00 0.00 N ATOM 952 CA GLY A 61 -11.455 -8.068 -4.297 1.00 0.00 C ATOM 953 C GLY A 61 -10.614 -8.649 -5.420 1.00 0.00 C ATOM 954 O GLY A 61 -9.595 -9.293 -5.173 1.00 0.00 O ATOM 0 H GLY A 61 -11.051 -6.136 -3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.030 -8.366 -3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.459 -8.489 -4.345 1.00 0.00 H new ATOM 958 N ASP A 62 -11.047 -8.426 -6.659 1.00 0.00 N ATOM 959 CA ASP A 62 -10.338 -8.934 -7.828 1.00 0.00 C ATOM 960 C ASP A 62 -8.864 -8.541 -7.813 1.00 0.00 C ATOM 961 O ASP A 62 -7.995 -9.358 -8.120 1.00 0.00 O ATOM 962 CB ASP A 62 -10.993 -8.421 -9.101 1.00 0.00 C ATOM 963 CG ASP A 62 -12.447 -8.837 -9.221 1.00 0.00 C ATOM 964 OD1 ASP A 62 -12.946 -9.527 -8.306 1.00 0.00 O ATOM 965 OD2 ASP A 62 -13.087 -8.472 -10.230 1.00 0.00 O ATOM 0 H ASP A 62 -11.889 -7.894 -6.878 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.395 -10.022 -7.798 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.928 -7.333 -9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.441 -8.793 -9.964 1.00 0.00 H new ATOM 970 N VAL A 63 -8.584 -7.289 -7.465 1.00 0.00 N ATOM 971 CA VAL A 63 -7.209 -6.799 -7.427 1.00 0.00 C ATOM 972 C VAL A 63 -6.369 -7.611 -6.440 1.00 0.00 C ATOM 973 O VAL A 63 -5.326 -8.152 -6.800 1.00 0.00 O ATOM 974 CB VAL A 63 -7.151 -5.303 -7.063 1.00 0.00 C ATOM 975 CG1 VAL A 63 -5.747 -4.757 -7.272 1.00 0.00 C ATOM 976 CG2 VAL A 63 -8.161 -4.512 -7.881 1.00 0.00 C ATOM 0 H VAL A 63 -9.287 -6.597 -7.206 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.794 -6.921 -8.428 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.407 -5.197 -6.009 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.725 -3.699 -7.010 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.047 -5.302 -6.639 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.461 -4.878 -8.317 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.104 -3.458 -7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.939 -4.625 -8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.165 -4.885 -7.679 1.00 0.00 H new ATOM 986 N ALA A 64 -6.837 -7.725 -5.200 1.00 0.00 N ATOM 987 CA ALA A 64 -6.125 -8.509 -4.189 1.00 0.00 C ATOM 988 C ALA A 64 -5.812 -9.901 -4.731 1.00 0.00 C ATOM 989 O ALA A 64 -4.856 -10.547 -4.303 1.00 0.00 O ATOM 990 CB ALA A 64 -6.953 -8.607 -2.917 1.00 0.00 C ATOM 0 H ALA A 64 -7.699 -7.289 -4.871 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.187 -8.008 -3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.411 -9.193 -2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.138 -7.607 -2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.904 -9.092 -3.138 1.00 0.00 H new ATOM 996 N GLN A 65 -6.629 -10.353 -5.681 1.00 0.00 N ATOM 997 CA GLN A 65 -6.451 -11.663 -6.293 1.00 0.00 C ATOM 998 C GLN A 65 -5.553 -11.578 -7.527 1.00 0.00 C ATOM 999 O GLN A 65 -4.746 -12.474 -7.775 1.00 0.00 O ATOM 1000 CB GLN A 65 -7.809 -12.255 -6.677 1.00 0.00 C ATOM 1001 CG GLN A 65 -7.714 -13.628 -7.324 1.00 0.00 C ATOM 1002 CD GLN A 65 -7.067 -14.657 -6.416 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -5.918 -14.504 -6.005 1.00 0.00 O ATOM 1004 NE2 GLN A 65 -7.806 -15.715 -6.099 1.00 0.00 N ATOM 0 H GLN A 65 -7.424 -9.826 -6.043 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.968 -12.313 -5.563 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.431 -12.325 -5.784 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.312 -11.573 -7.363 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.713 -13.967 -7.597 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.140 -13.552 -8.247 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.755 -15.802 -6.463 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.424 -16.440 -5.492 1.00 0.00 H new ATOM 1013 N LYS A 66 -5.698 -10.503 -8.305 1.00 0.00 N ATOM 1014 CA LYS A 66 -4.896 -10.329 -9.512 1.00 0.00 C ATOM 1015 C LYS A 66 -3.414 -10.265 -9.161 1.00 0.00 C ATOM 1016 O LYS A 66 -2.579 -10.864 -9.837 1.00 0.00 O ATOM 1017 CB LYS A 66 -5.336 -9.075 -10.287 1.00 0.00 C ATOM 1018 CG LYS A 66 -4.796 -7.764 -9.739 1.00 0.00 C ATOM 1019 CD LYS A 66 -3.414 -7.432 -10.289 1.00 0.00 C ATOM 1020 CE LYS A 66 -3.436 -7.257 -11.800 1.00 0.00 C ATOM 1021 NZ LYS A 66 -4.386 -6.192 -12.223 1.00 0.00 N ATOM 0 H LYS A 66 -6.358 -9.747 -8.121 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.056 -11.192 -10.159 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.019 -9.177 -11.325 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.425 -9.030 -10.289 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.486 -6.958 -9.987 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.748 -7.820 -8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.047 -6.518 -9.822 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.717 -8.227 -10.025 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.434 -7.010 -12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.715 -8.200 -12.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.216 -5.951 -13.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.362 -6.533 -12.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.245 -5.347 -11.634 1.00 0.00 H new ATOM 1035 N ASN A 67 -3.099 -9.546 -8.088 1.00 0.00 N ATOM 1036 CA ASN A 67 -1.733 -9.410 -7.630 1.00 0.00 C ATOM 1037 C ASN A 67 -1.338 -10.585 -6.732 1.00 0.00 C ATOM 1038 O ASN A 67 -0.202 -10.670 -6.269 1.00 0.00 O ATOM 1039 CB ASN A 67 -1.585 -8.100 -6.867 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.772 -6.887 -7.759 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -1.035 -6.694 -8.726 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -2.761 -6.064 -7.435 1.00 0.00 N ATOM 0 H ASN A 67 -3.783 -9.047 -7.519 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.072 -9.408 -8.496 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.315 -8.069 -6.058 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.598 -8.060 -6.407 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.936 -5.231 -7.997 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.347 -6.265 -6.624 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.290 -11.487 -6.491 1.00 0.00 N ATOM 1050 CA GLU A 68 -2.050 -12.655 -5.653 1.00 0.00 C ATOM 1051 C GLU A 68 -1.761 -12.245 -4.213 1.00 0.00 C ATOM 1052 O GLU A 68 -0.917 -12.845 -3.548 1.00 0.00 O ATOM 1053 CB GLU A 68 -0.887 -13.481 -6.208 1.00 0.00 C ATOM 1054 CG GLU A 68 -1.119 -13.980 -7.625 1.00 0.00 C ATOM 1055 CD GLU A 68 0.045 -14.795 -8.152 1.00 0.00 C ATOM 1056 OE1 GLU A 68 0.367 -15.836 -7.539 1.00 0.00 O ATOM 1057 OE2 GLU A 68 0.634 -14.395 -9.178 1.00 0.00 O ATOM 0 H GLU A 68 -3.236 -11.428 -6.867 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.953 -13.266 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.020 -12.876 -6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.714 -14.336 -5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.024 -14.587 -7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.289 -13.128 -8.283 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.467 -11.224 -3.731 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.277 -10.753 -2.367 1.00 0.00 C ATOM 1066 C VAL A 69 -3.531 -10.981 -1.530 1.00 0.00 C ATOM 1067 O VAL A 69 -4.216 -10.031 -1.146 1.00 0.00 O ATOM 1068 CB VAL A 69 -1.913 -9.258 -2.336 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -1.602 -8.816 -0.913 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -0.737 -8.974 -3.259 1.00 0.00 C ATOM 0 H VAL A 69 -3.171 -10.712 -4.263 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.453 -11.326 -1.943 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.770 -8.686 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.347 -7.756 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.475 -8.981 -0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.761 -9.393 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.495 -7.912 -3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.127 -9.554 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.000 -9.252 -4.280 1.00 0.00 H new ATOM 1080 N SER A 70 -3.829 -12.244 -1.250 1.00 0.00 N ATOM 1081 CA SER A 70 -5.001 -12.589 -0.454 1.00 0.00 C ATOM 1082 C SER A 70 -4.709 -12.457 1.038 1.00 0.00 C ATOM 1083 O SER A 70 -5.625 -12.494 1.860 1.00 0.00 O ATOM 1084 CB SER A 70 -5.465 -14.010 -0.773 1.00 0.00 C ATOM 1085 OG SER A 70 -4.467 -14.960 -0.438 1.00 0.00 O ATOM 0 H SER A 70 -3.278 -13.044 -1.561 1.00 0.00 H new ATOM 0 HA SER A 70 -5.797 -11.890 -0.711 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.380 -14.229 -0.222 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.705 -14.088 -1.833 1.00 0.00 H new ATOM 0 HG SER A 70 -4.789 -15.861 -0.650 1.00 0.00 H new ATOM 1091 N ALA A 71 -3.432 -12.296 1.386 1.00 0.00 N ATOM 1092 CA ALA A 71 -3.030 -12.151 2.783 1.00 0.00 C ATOM 1093 C ALA A 71 -3.782 -10.999 3.441 1.00 0.00 C ATOM 1094 O ALA A 71 -4.701 -10.432 2.850 1.00 0.00 O ATOM 1095 CB ALA A 71 -1.529 -11.933 2.878 1.00 0.00 C ATOM 0 H ALA A 71 -2.660 -12.263 0.720 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.282 -13.069 3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.242 -11.826 3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.009 -12.787 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.258 -11.029 2.333 1.00 0.00 H new ATOM 1101 N MET A 72 -3.396 -10.652 4.664 1.00 0.00 N ATOM 1102 CA MET A 72 -4.058 -9.566 5.369 1.00 0.00 C ATOM 1103 C MET A 72 -3.333 -9.195 6.666 1.00 0.00 C ATOM 1104 O MET A 72 -3.383 -9.939 7.644 1.00 0.00 O ATOM 1105 CB MET A 72 -5.512 -9.940 5.666 1.00 0.00 C ATOM 1106 CG MET A 72 -5.682 -11.034 6.709 1.00 0.00 C ATOM 1107 SD MET A 72 -4.907 -12.595 6.240 1.00 0.00 S ATOM 1108 CE MET A 72 -5.821 -12.995 4.753 1.00 0.00 C ATOM 0 H MET A 72 -2.639 -11.101 5.180 1.00 0.00 H new ATOM 0 HA MET A 72 -4.033 -8.691 4.719 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.041 -9.049 6.003 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.988 -10.262 4.740 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.257 -10.695 7.654 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.745 -11.201 6.880 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.344 -13.941 4.891 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.545 -12.207 4.548 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.131 -13.081 3.914 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.647 -8.035 6.703 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.537 -7.101 5.588 1.00 0.00 C ATOM 1120 C PRO A 73 -1.284 -7.345 4.752 1.00 0.00 C ATOM 1121 O PRO A 73 -0.418 -8.131 5.137 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.449 -5.761 6.302 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.755 -6.058 7.590 1.00 0.00 C ATOM 1124 CD PRO A 73 -1.907 -7.537 7.866 1.00 0.00 C ATOM 0 HA PRO A 73 -3.364 -7.184 4.882 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.892 -5.034 5.711 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.439 -5.339 6.475 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.701 -5.787 7.527 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.187 -5.472 8.401 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.938 -8.027 7.964 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.451 -7.717 8.793 1.00 0.00 H new ATOM 1132 N THR A 74 -1.185 -6.666 3.613 1.00 0.00 N ATOM 1133 CA THR A 74 -0.027 -6.816 2.737 1.00 0.00 C ATOM 1134 C THR A 74 0.454 -5.460 2.232 1.00 0.00 C ATOM 1135 O THR A 74 -0.325 -4.517 2.136 1.00 0.00 O ATOM 1136 CB THR A 74 -0.369 -7.711 1.545 1.00 0.00 C ATOM 1137 OG1 THR A 74 -0.904 -8.948 1.981 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.824 -8.015 0.663 1.00 0.00 C ATOM 0 H THR A 74 -1.889 -6.009 3.276 1.00 0.00 H new ATOM 0 HA THR A 74 0.771 -7.279 3.318 1.00 0.00 H new ATOM 0 HB THR A 74 -1.099 -7.148 0.963 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.881 -8.927 1.905 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.512 -8.654 -0.163 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.231 -7.084 0.268 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.588 -8.526 1.248 1.00 0.00 H new ATOM 1146 N LEU A 75 1.739 -5.371 1.902 1.00 0.00 N ATOM 1147 CA LEU A 75 2.317 -4.129 1.400 1.00 0.00 C ATOM 1148 C LEU A 75 2.787 -4.287 -0.043 1.00 0.00 C ATOM 1149 O LEU A 75 3.572 -5.181 -0.356 1.00 0.00 O ATOM 1150 CB LEU A 75 3.493 -3.698 2.275 1.00 0.00 C ATOM 1151 CG LEU A 75 3.153 -3.441 3.741 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.396 -3.014 4.501 1.00 0.00 C ATOM 1153 CD2 LEU A 75 2.061 -2.388 3.862 1.00 0.00 C ATOM 0 H LEU A 75 2.400 -6.145 1.973 1.00 0.00 H new ATOM 0 HA LEU A 75 1.542 -3.364 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.262 -4.469 2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.925 -2.790 1.854 1.00 0.00 H new ATOM 0 HG LEU A 75 2.780 -4.367 4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.140 -2.834 5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.147 -3.802 4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.795 -2.099 4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.833 -2.219 4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.402 -1.456 3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.164 -2.733 3.347 1.00 0.00 H new ATOM 1165 N LEU A 76 2.305 -3.407 -0.917 1.00 0.00 N ATOM 1166 CA LEU A 76 2.683 -3.446 -2.326 1.00 0.00 C ATOM 1167 C LEU A 76 3.306 -2.122 -2.764 1.00 0.00 C ATOM 1168 O LEU A 76 2.739 -1.053 -2.539 1.00 0.00 O ATOM 1169 CB LEU A 76 1.466 -3.771 -3.200 1.00 0.00 C ATOM 1170 CG LEU A 76 0.877 -5.171 -2.997 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.145 -5.485 -4.079 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.979 -6.222 -2.977 1.00 0.00 C ATOM 0 H LEU A 76 1.654 -2.660 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 76 3.427 -4.232 -2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.688 -3.034 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.750 -3.661 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 76 0.370 -5.191 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.551 -6.483 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.952 -4.754 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.335 -5.443 -5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.538 -7.208 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.519 -6.201 -3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.670 -6.009 -2.161 1.00 0.00 H new ATOM 1184 N LEU A 77 4.477 -2.204 -3.393 1.00 0.00 N ATOM 1185 CA LEU A 77 5.182 -1.016 -3.867 1.00 0.00 C ATOM 1186 C LEU A 77 5.155 -0.953 -5.393 1.00 0.00 C ATOM 1187 O LEU A 77 5.170 -1.987 -6.062 1.00 0.00 O ATOM 1188 CB LEU A 77 6.625 -1.011 -3.360 1.00 0.00 C ATOM 1189 CG LEU A 77 6.783 -0.983 -1.837 1.00 0.00 C ATOM 1190 CD1 LEU A 77 6.197 -2.239 -1.211 1.00 0.00 C ATOM 1191 CD2 LEU A 77 8.249 -0.833 -1.458 1.00 0.00 C ATOM 0 H LEU A 77 4.958 -3.083 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 77 4.674 -0.135 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.131 -1.896 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.137 -0.144 -3.778 1.00 0.00 H new ATOM 0 HG LEU A 77 6.235 -0.123 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.320 -2.198 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.136 -2.305 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.714 -3.115 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.344 -0.815 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.816 -1.674 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.639 0.097 -1.872 1.00 0.00 H new ATOM 1203 N PHE A 78 5.092 0.263 -5.937 1.00 0.00 N ATOM 1204 CA PHE A 78 5.029 0.451 -7.386 1.00 0.00 C ATOM 1205 C PHE A 78 5.765 1.720 -7.827 1.00 0.00 C ATOM 1206 O PHE A 78 5.509 2.801 -7.297 1.00 0.00 O ATOM 1207 CB PHE A 78 3.556 0.553 -7.798 1.00 0.00 C ATOM 1208 CG PHE A 78 2.726 -0.618 -7.349 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.831 -1.847 -7.982 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.849 -0.491 -6.284 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.074 -2.925 -7.561 1.00 0.00 C ATOM 1212 CE2 PHE A 78 1.090 -1.565 -5.860 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.202 -2.783 -6.498 1.00 0.00 C ATOM 0 H PHE A 78 5.083 1.129 -5.398 1.00 0.00 H new ATOM 0 HA PHE A 78 5.514 -0.398 -7.867 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.133 1.468 -7.383 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.495 0.637 -8.883 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.511 -1.964 -8.813 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.757 0.459 -5.779 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.164 -3.877 -8.062 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.409 -1.451 -5.029 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.610 -3.624 -6.168 1.00 0.00 H new ATOM 1223 N LYS A 79 6.665 1.599 -8.811 1.00 0.00 N ATOM 1224 CA LYS A 79 7.396 2.774 -9.310 1.00 0.00 C ATOM 1225 C LYS A 79 6.945 3.156 -10.718 1.00 0.00 C ATOM 1226 O LYS A 79 6.846 2.302 -11.597 1.00 0.00 O ATOM 1227 CB LYS A 79 8.906 2.526 -9.313 1.00 0.00 C ATOM 1228 CG LYS A 79 9.555 2.659 -7.946 1.00 0.00 C ATOM 1229 CD LYS A 79 9.480 4.084 -7.420 1.00 0.00 C ATOM 1230 CE LYS A 79 10.137 5.071 -8.375 1.00 0.00 C ATOM 1231 NZ LYS A 79 10.121 6.459 -7.836 1.00 0.00 N ATOM 0 H LYS A 79 6.902 0.720 -9.270 1.00 0.00 H new ATOM 0 HA LYS A 79 7.171 3.597 -8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.099 1.525 -9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.378 3.230 -9.998 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.063 1.986 -7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.598 2.349 -8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.437 4.362 -7.270 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.968 4.139 -6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.167 4.766 -8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.619 5.048 -9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.814 7.117 -8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.462 6.512 -7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.076 6.718 -7.517 1.00 0.00 H new ATOM 1245 N ASN A 80 6.685 4.449 -10.931 1.00 0.00 N ATOM 1246 CA ASN A 80 6.259 4.944 -12.242 1.00 0.00 C ATOM 1247 C ASN A 80 5.193 4.045 -12.871 1.00 0.00 C ATOM 1248 O ASN A 80 5.389 3.498 -13.956 1.00 0.00 O ATOM 1249 CB ASN A 80 7.463 5.057 -13.179 1.00 0.00 C ATOM 1250 CG ASN A 80 8.520 6.008 -12.650 1.00 0.00 C ATOM 1251 OD1 ASN A 80 9.064 5.808 -11.564 1.00 0.00 O ATOM 1252 ND2 ASN A 80 8.816 7.049 -13.417 1.00 0.00 N ATOM 0 H ASN A 80 6.762 5.170 -10.214 1.00 0.00 H new ATOM 0 HA ASN A 80 5.818 5.930 -12.093 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.904 4.070 -13.320 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.127 5.399 -14.158 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.519 7.722 -13.114 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.340 7.176 -14.310 1.00 0.00 H new ATOM 1259 N GLY A 81 4.062 3.906 -12.188 1.00 0.00 N ATOM 1260 CA GLY A 81 2.975 3.084 -12.690 1.00 0.00 C ATOM 1261 C GLY A 81 3.388 1.648 -12.953 1.00 0.00 C ATOM 1262 O GLY A 81 2.704 0.924 -13.675 1.00 0.00 O ATOM 0 H GLY A 81 3.877 4.351 -11.289 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.157 3.094 -11.970 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.593 3.521 -13.613 1.00 0.00 H new ATOM 1266 N LYS A 82 4.501 1.233 -12.361 1.00 0.00 N ATOM 1267 CA LYS A 82 4.994 -0.126 -12.527 1.00 0.00 C ATOM 1268 C LYS A 82 5.116 -0.803 -11.166 1.00 0.00 C ATOM 1269 O LYS A 82 4.478 -0.391 -10.204 1.00 0.00 O ATOM 1270 CB LYS A 82 6.342 -0.121 -13.257 1.00 0.00 C ATOM 1271 CG LYS A 82 6.281 0.498 -14.644 1.00 0.00 C ATOM 1272 CD LYS A 82 7.641 0.477 -15.324 1.00 0.00 C ATOM 1273 CE LYS A 82 7.578 1.093 -16.712 1.00 0.00 C ATOM 1274 NZ LYS A 82 8.905 1.076 -17.387 1.00 0.00 N ATOM 0 H LYS A 82 5.080 1.821 -11.761 1.00 0.00 H new ATOM 0 HA LYS A 82 4.285 -0.690 -13.133 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.069 0.425 -12.656 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.704 -1.146 -13.341 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.559 -0.045 -15.254 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.926 1.526 -14.570 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.362 1.022 -14.715 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.997 -0.551 -15.396 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.855 0.548 -17.319 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.222 2.120 -16.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.820 1.505 -18.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.589 1.617 -16.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.234 0.094 -17.481 1.00 0.00 H new ATOM 1288 N GLU A 83 5.928 -1.841 -11.092 1.00 0.00 N ATOM 1289 CA GLU A 83 6.122 -2.572 -9.849 1.00 0.00 C ATOM 1290 C GLU A 83 7.523 -2.297 -9.303 1.00 0.00 C ATOM 1291 O GLU A 83 8.301 -1.585 -9.935 1.00 0.00 O ATOM 1292 CB GLU A 83 5.916 -4.071 -10.120 1.00 0.00 C ATOM 1293 CG GLU A 83 6.023 -4.967 -8.896 1.00 0.00 C ATOM 1294 CD GLU A 83 5.570 -6.387 -9.173 1.00 0.00 C ATOM 1295 OE1 GLU A 83 4.396 -6.570 -9.559 1.00 0.00 O ATOM 1296 OE2 GLU A 83 6.389 -7.315 -9.006 1.00 0.00 O ATOM 0 H GLU A 83 6.467 -2.200 -11.880 1.00 0.00 H new ATOM 0 HA GLU A 83 5.400 -2.246 -9.100 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.933 -4.212 -10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.652 -4.396 -10.855 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.056 -4.980 -8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.421 -4.548 -8.090 1.00 0.00 H new ATOM 1303 N VAL A 84 7.828 -2.846 -8.128 1.00 0.00 N ATOM 1304 CA VAL A 84 9.137 -2.665 -7.502 1.00 0.00 C ATOM 1305 C VAL A 84 9.356 -3.668 -6.380 1.00 0.00 C ATOM 1306 O VAL A 84 10.418 -4.284 -6.288 1.00 0.00 O ATOM 1307 CB VAL A 84 9.339 -1.247 -6.941 1.00 0.00 C ATOM 1308 CG1 VAL A 84 9.655 -0.271 -8.057 1.00 0.00 C ATOM 1309 CG2 VAL A 84 8.115 -0.799 -6.159 1.00 0.00 C ATOM 0 H VAL A 84 7.183 -3.423 -7.588 1.00 0.00 H new ATOM 0 HA VAL A 84 9.866 -2.828 -8.295 1.00 0.00 H new ATOM 0 HB VAL A 84 10.188 -1.267 -6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.794 0.726 -7.640 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.568 -0.582 -8.565 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.831 -0.254 -8.770 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.279 0.206 -5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.245 -0.797 -6.815 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.942 -1.484 -5.329 1.00 0.00 H new ATOM 1319 N ALA A 85 8.353 -3.831 -5.522 1.00 0.00 N ATOM 1320 CA ALA A 85 8.465 -4.765 -4.409 1.00 0.00 C ATOM 1321 C ALA A 85 7.111 -5.062 -3.779 1.00 0.00 C ATOM 1322 O ALA A 85 6.165 -4.284 -3.906 1.00 0.00 O ATOM 1323 CB ALA A 85 9.424 -4.220 -3.363 1.00 0.00 C ATOM 0 H ALA A 85 7.464 -3.334 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 85 8.856 -5.703 -4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.500 -4.926 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.408 -4.078 -3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.053 -3.265 -2.992 1.00 0.00 H new ATOM 1329 N LYS A 86 7.033 -6.197 -3.091 1.00 0.00 N ATOM 1330 CA LYS A 86 5.807 -6.614 -2.425 1.00 0.00 C ATOM 1331 C LYS A 86 6.129 -7.480 -1.213 1.00 0.00 C ATOM 1332 O LYS A 86 6.674 -8.576 -1.347 1.00 0.00 O ATOM 1333 CB LYS A 86 4.902 -7.378 -3.395 1.00 0.00 C ATOM 1334 CG LYS A 86 5.554 -8.611 -4.000 1.00 0.00 C ATOM 1335 CD LYS A 86 4.624 -9.307 -4.981 1.00 0.00 C ATOM 1336 CE LYS A 86 5.275 -10.543 -5.580 1.00 0.00 C ATOM 1337 NZ LYS A 86 4.370 -11.235 -6.540 1.00 0.00 N ATOM 0 H LYS A 86 7.811 -6.847 -2.981 1.00 0.00 H new ATOM 0 HA LYS A 86 5.279 -5.722 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.995 -7.678 -2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.598 -6.707 -4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.474 -8.325 -4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.832 -9.304 -3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.702 -9.589 -4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.350 -8.616 -5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.196 -10.258 -6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.552 -11.231 -4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.850 -12.073 -6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.502 -11.529 -6.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.126 -10.587 -7.316 1.00 0.00 H new ATOM 1351 N VAL A 87 5.802 -6.979 -0.028 1.00 0.00 N ATOM 1352 CA VAL A 87 6.068 -7.707 1.205 1.00 0.00 C ATOM 1353 C VAL A 87 4.868 -7.656 2.145 1.00 0.00 C ATOM 1354 O VAL A 87 4.590 -6.625 2.758 1.00 0.00 O ATOM 1355 CB VAL A 87 7.304 -7.141 1.933 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.605 -7.939 3.193 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.508 -7.124 1.003 1.00 0.00 C ATOM 0 H VAL A 87 5.353 -6.073 0.104 1.00 0.00 H new ATOM 0 HA VAL A 87 6.261 -8.743 0.927 1.00 0.00 H new ATOM 0 HB VAL A 87 7.085 -6.115 2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.481 -7.520 3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.750 -7.891 3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.800 -8.978 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.371 -6.722 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.726 -8.139 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.290 -6.499 0.137 1.00 0.00 H new ATOM 1367 N VAL A 88 4.166 -8.778 2.260 1.00 0.00 N ATOM 1368 CA VAL A 88 3.003 -8.862 3.131 1.00 0.00 C ATOM 1369 C VAL A 88 3.411 -8.736 4.597 1.00 0.00 C ATOM 1370 O VAL A 88 3.841 -9.707 5.220 1.00 0.00 O ATOM 1371 CB VAL A 88 2.228 -10.182 2.910 1.00 0.00 C ATOM 1372 CG1 VAL A 88 3.166 -11.377 3.018 1.00 0.00 C ATOM 1373 CG2 VAL A 88 1.076 -10.311 3.899 1.00 0.00 C ATOM 0 H VAL A 88 4.383 -9.641 1.761 1.00 0.00 H new ATOM 0 HA VAL A 88 2.345 -8.031 2.876 1.00 0.00 H new ATOM 0 HB VAL A 88 1.807 -10.164 1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.603 -12.297 2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.948 -11.295 2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.620 -11.395 4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.548 -11.248 3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.467 -10.302 4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.388 -9.476 3.767 1.00 0.00 H new ATOM 1383 N GLY A 89 3.277 -7.528 5.137 1.00 0.00 N ATOM 1384 CA GLY A 89 3.636 -7.283 6.522 1.00 0.00 C ATOM 1385 C GLY A 89 4.211 -5.894 6.728 1.00 0.00 C ATOM 1386 O GLY A 89 5.357 -5.630 6.364 1.00 0.00 O ATOM 0 H GLY A 89 2.925 -6.712 4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.755 -7.406 7.151 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.364 -8.027 6.844 1.00 0.00 H new ATOM 1390 N ALA A 90 3.412 -5.001 7.308 1.00 0.00 N ATOM 1391 CA ALA A 90 3.849 -3.631 7.553 1.00 0.00 C ATOM 1392 C ALA A 90 4.352 -3.452 8.977 1.00 0.00 C ATOM 1393 O ALA A 90 4.163 -2.400 9.587 1.00 0.00 O ATOM 1394 CB ALA A 90 2.719 -2.655 7.263 1.00 0.00 C ATOM 0 H ALA A 90 2.461 -5.202 7.616 1.00 0.00 H new ATOM 0 HA ALA A 90 4.679 -3.421 6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.060 -1.637 7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.415 -2.750 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.871 -2.878 7.910 1.00 0.00 H new ATOM 1400 N ASN A 91 5.004 -4.483 9.495 1.00 0.00 N ATOM 1401 CA ASN A 91 5.549 -4.449 10.827 1.00 0.00 C ATOM 1402 C ASN A 91 6.833 -3.625 10.851 1.00 0.00 C ATOM 1403 O ASN A 91 7.687 -3.781 9.979 1.00 0.00 O ATOM 1404 CB ASN A 91 5.825 -5.877 11.279 1.00 0.00 C ATOM 1405 CG ASN A 91 6.726 -6.625 10.318 1.00 0.00 C ATOM 1406 OD1 ASN A 91 6.395 -6.795 9.144 1.00 0.00 O ATOM 1407 ND2 ASN A 91 7.871 -7.081 10.811 1.00 0.00 N ATOM 0 H ASN A 91 5.165 -5.359 8.999 1.00 0.00 H new ATOM 0 HA ASN A 91 4.835 -3.982 11.506 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.287 -5.859 12.266 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.881 -6.412 11.378 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.516 -7.595 10.211 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.106 -6.918 11.790 1.00 0.00 H new ATOM 1414 N PRO A 92 6.989 -2.730 11.845 1.00 0.00 N ATOM 1415 CA PRO A 92 8.180 -1.880 11.964 1.00 0.00 C ATOM 1416 C PRO A 92 9.478 -2.651 11.744 1.00 0.00 C ATOM 1417 O PRO A 92 10.086 -3.144 12.694 1.00 0.00 O ATOM 1418 CB PRO A 92 8.090 -1.376 13.401 1.00 0.00 C ATOM 1419 CG PRO A 92 6.628 -1.303 13.663 1.00 0.00 C ATOM 1420 CD PRO A 92 6.020 -2.468 12.928 1.00 0.00 C ATOM 0 HA PRO A 92 8.200 -1.090 11.213 1.00 0.00 H new ATOM 0 HB2 PRO A 92 8.587 -2.055 14.094 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.565 -0.401 13.513 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.419 -1.363 14.731 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.214 -0.359 13.309 1.00 0.00 H new ATOM 0 HD2 PRO A 92 5.899 -3.335 13.578 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.033 -2.225 12.534 1.00 0.00 H new ATOM 1428 N ALA A 93 9.897 -2.756 10.484 1.00 0.00 N ATOM 1429 CA ALA A 93 11.121 -3.472 10.143 1.00 0.00 C ATOM 1430 C ALA A 93 11.367 -3.476 8.637 1.00 0.00 C ATOM 1431 O ALA A 93 12.512 -3.404 8.189 1.00 0.00 O ATOM 1432 CB ALA A 93 11.063 -4.900 10.669 1.00 0.00 C ATOM 0 H ALA A 93 9.407 -2.354 9.685 1.00 0.00 H new ATOM 0 HA ALA A 93 11.953 -2.950 10.616 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.983 -5.422 10.407 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.951 -4.884 11.753 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.213 -5.417 10.224 1.00 0.00 H new ATOM 1438 N ALA A 94 10.293 -3.570 7.853 1.00 0.00 N ATOM 1439 CA ALA A 94 10.418 -3.594 6.399 1.00 0.00 C ATOM 1440 C ALA A 94 9.602 -2.493 5.742 1.00 0.00 C ATOM 1441 O ALA A 94 10.070 -1.842 4.809 1.00 0.00 O ATOM 1442 CB ALA A 94 10.014 -4.956 5.853 1.00 0.00 C ATOM 0 H ALA A 94 9.335 -3.630 8.198 1.00 0.00 H new ATOM 0 HA ALA A 94 11.465 -3.412 6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.113 -4.957 4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.661 -5.724 6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.979 -5.164 6.123 1.00 0.00 H new ATOM 1448 N ILE A 95 8.387 -2.274 6.231 1.00 0.00 N ATOM 1449 CA ILE A 95 7.529 -1.234 5.679 1.00 0.00 C ATOM 1450 C ILE A 95 8.262 0.107 5.597 1.00 0.00 C ATOM 1451 O ILE A 95 7.843 1.005 4.871 1.00 0.00 O ATOM 1452 CB ILE A 95 6.245 -1.072 6.519 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.374 0.067 5.982 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.598 -0.828 7.978 1.00 0.00 C ATOM 1455 CD1 ILE A 95 4.995 -0.079 4.524 1.00 0.00 C ATOM 0 H ILE A 95 7.976 -2.799 7.003 1.00 0.00 H new ATOM 0 HA ILE A 95 7.256 -1.544 4.670 1.00 0.00 H new ATOM 0 HB ILE A 95 5.672 -1.996 6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.464 0.126 6.579 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.905 1.010 6.116 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.683 -0.715 8.560 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.169 -1.674 8.360 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.195 0.080 8.061 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.379 0.768 4.222 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.898 -0.106 3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.435 -1.004 4.384 1.00 0.00 H new ATOM 1467 N LYS A 96 9.360 0.236 6.340 1.00 0.00 N ATOM 1468 CA LYS A 96 10.146 1.467 6.332 1.00 0.00 C ATOM 1469 C LYS A 96 11.258 1.393 5.294 1.00 0.00 C ATOM 1470 O LYS A 96 11.424 2.300 4.477 1.00 0.00 O ATOM 1471 CB LYS A 96 10.727 1.747 7.722 1.00 0.00 C ATOM 1472 CG LYS A 96 11.638 0.646 8.242 1.00 0.00 C ATOM 1473 CD LYS A 96 12.127 0.945 9.649 1.00 0.00 C ATOM 1474 CE LYS A 96 12.925 2.239 9.698 1.00 0.00 C ATOM 1475 NZ LYS A 96 13.417 2.537 11.071 1.00 0.00 N ATOM 0 H LYS A 96 9.724 -0.494 6.953 1.00 0.00 H new ATOM 0 HA LYS A 96 9.483 2.290 6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.286 2.682 7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.907 1.889 8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.103 -0.303 8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.493 0.534 7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.274 1.016 10.324 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.746 0.121 10.003 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.772 2.169 9.016 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.302 3.063 9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.956 3.427 11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.608 2.630 11.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.032 1.763 11.395 1.00 0.00 H new ATOM 1489 N GLN A 97 12.021 0.305 5.336 1.00 0.00 N ATOM 1490 CA GLN A 97 13.121 0.107 4.404 1.00 0.00 C ATOM 1491 C GLN A 97 12.595 -0.105 2.994 1.00 0.00 C ATOM 1492 O GLN A 97 13.237 0.279 2.015 1.00 0.00 O ATOM 1493 CB GLN A 97 13.967 -1.094 4.830 1.00 0.00 C ATOM 1494 CG GLN A 97 14.575 -0.950 6.219 1.00 0.00 C ATOM 1495 CD GLN A 97 15.418 -2.147 6.642 1.00 0.00 C ATOM 1496 OE1 GLN A 97 15.971 -2.163 7.742 1.00 0.00 O ATOM 1497 NE2 GLN A 97 15.528 -3.157 5.779 1.00 0.00 N ATOM 0 H GLN A 97 11.896 -0.453 6.007 1.00 0.00 H new ATOM 0 HA GLN A 97 13.744 1.002 4.414 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.348 -1.991 4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 97 14.768 -1.239 4.105 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.194 -0.053 6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 97 13.774 -0.806 6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.056 -3.110 4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.084 -3.977 6.022 1.00 0.00 H new ATOM 1506 N ALA A 98 11.419 -0.714 2.895 1.00 0.00 N ATOM 1507 CA ALA A 98 10.805 -0.968 1.596 1.00 0.00 C ATOM 1508 C ALA A 98 10.622 0.332 0.821 1.00 0.00 C ATOM 1509 O ALA A 98 10.659 0.351 -0.407 1.00 0.00 O ATOM 1510 CB ALA A 98 9.468 -1.675 1.774 1.00 0.00 C ATOM 0 H ALA A 98 10.874 -1.040 3.693 1.00 0.00 H new ATOM 0 HA ALA A 98 11.469 -1.615 1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.021 -1.859 0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.624 -2.625 2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.801 -1.049 2.367 1.00 0.00 H new ATOM 1516 N ILE A 99 10.422 1.418 1.558 1.00 0.00 N ATOM 1517 CA ILE A 99 10.229 2.731 0.966 1.00 0.00 C ATOM 1518 C ILE A 99 11.560 3.468 0.785 1.00 0.00 C ATOM 1519 O ILE A 99 11.616 4.512 0.138 1.00 0.00 O ATOM 1520 CB ILE A 99 9.273 3.578 1.838 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.856 3.007 1.768 1.00 0.00 C ATOM 1522 CG2 ILE A 99 9.273 5.036 1.395 1.00 0.00 C ATOM 1523 CD1 ILE A 99 7.742 1.574 2.235 1.00 0.00 C ATOM 0 H ILE A 99 10.390 1.411 2.577 1.00 0.00 H new ATOM 0 HA ILE A 99 9.786 2.586 -0.019 1.00 0.00 H new ATOM 0 HB ILE A 99 9.626 3.537 2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.196 3.628 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.501 3.072 0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.592 5.608 2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.280 5.444 1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.947 5.101 0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.706 1.246 2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.374 0.938 1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.064 1.503 3.274 1.00 0.00 H new ATOM 1535 N ALA A 100 12.628 2.921 1.355 1.00 0.00 N ATOM 1536 CA ALA A 100 13.945 3.533 1.251 1.00 0.00 C ATOM 1537 C ALA A 100 14.701 3.010 0.035 1.00 0.00 C ATOM 1538 O ALA A 100 14.986 3.757 -0.901 1.00 0.00 O ATOM 1539 CB ALA A 100 14.746 3.281 2.519 1.00 0.00 C ATOM 0 H ALA A 100 12.606 2.055 1.894 1.00 0.00 H new ATOM 0 HA ALA A 100 13.808 4.607 1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.728 3.744 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.221 3.710 3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.864 2.208 2.668 1.00 0.00 H new ATOM 1545 N ALA A 101 15.026 1.724 0.061 1.00 0.00 N ATOM 1546 CA ALA A 101 15.755 1.092 -1.033 1.00 0.00 C ATOM 1547 C ALA A 101 15.059 1.318 -2.371 1.00 0.00 C ATOM 1548 O ALA A 101 15.702 1.317 -3.421 1.00 0.00 O ATOM 1549 CB ALA A 101 15.917 -0.397 -0.767 1.00 0.00 C ATOM 0 H ALA A 101 14.796 1.095 0.831 1.00 0.00 H new ATOM 0 HA ALA A 101 16.741 1.553 -1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.463 -0.857 -1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.470 -0.543 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.934 -0.860 -0.680 1.00 0.00 H new ATOM 1555 N ASN A 102 13.744 1.510 -2.332 1.00 0.00 N ATOM 1556 CA ASN A 102 12.974 1.732 -3.541 1.00 0.00 C ATOM 1557 C ASN A 102 12.899 3.215 -3.893 1.00 0.00 C ATOM 1558 O ASN A 102 13.341 3.628 -4.965 1.00 0.00 O ATOM 1559 CB ASN A 102 11.575 1.153 -3.369 1.00 0.00 C ATOM 1560 CG ASN A 102 11.550 -0.354 -3.540 1.00 0.00 C ATOM 1561 OD1 ASN A 102 11.902 -0.875 -4.598 1.00 0.00 O ATOM 1562 ND2 ASN A 102 11.134 -1.064 -2.499 1.00 0.00 N ATOM 0 H ASN A 102 13.193 1.515 -1.473 1.00 0.00 H new ATOM 0 HA ASN A 102 13.477 1.227 -4.366 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.197 1.410 -2.380 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.903 1.610 -4.096 1.00 0.00 H new ATOM 0 HD21 ASN A 102 11.097 -2.082 -2.558 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.851 -0.592 -1.640 1.00 0.00 H new ATOM 1569 N ALA A 103 12.341 4.012 -2.988 1.00 0.00 N ATOM 1570 CA ALA A 103 12.214 5.447 -3.216 1.00 0.00 C ATOM 1571 C ALA A 103 13.579 6.092 -3.428 1.00 0.00 C ATOM 1572 O ALA A 103 13.823 6.606 -4.539 1.00 0.00 O ATOM 1573 CB ALA A 103 11.493 6.106 -2.050 1.00 0.00 C ATOM 1574 OXT ALA A 103 14.393 6.079 -2.480 1.00 0.00 O ATOM 0 H ALA A 103 11.971 3.691 -2.093 1.00 0.00 H new ATOM 0 HA ALA A 103 11.626 5.594 -4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.406 7.177 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.498 5.673 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.058 5.941 -1.133 1.00 0.00 H new