USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 424 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 18 SER OG : rot -90:sc= -0.372! USER MOD Set 1.2: A 25 SER OG : rot 130:sc= -3.72! USER MOD Single : A 9 THR OG1 : rot 35:sc= 0.411 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 146:sc= -1.48! USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.75! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.409) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.658 K(o=-0.66,f=-4.2!) USER MOD Single : A 37 ASN : amide:sc= -2.01! C(o=-2!,f=-3.2!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 46 HIS :FLIP no HE2:sc= -7.33! C(o=-8.7!,f=-7.3!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -120:sc= -0.0269 USER MOD Single : A 59 ASN : amide:sc= -3.1 X(o=-3.1,f=-3.1!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 15.577 15.132 -4.262 1.00 0.00 N ATOM 2 CA THR A 9 15.800 13.850 -3.536 1.00 0.00 C ATOM 3 C THR A 9 14.529 13.000 -3.596 1.00 0.00 C ATOM 4 O THR A 9 13.433 13.512 -3.701 1.00 0.00 O ATOM 5 CB THR A 9 16.148 14.148 -2.075 1.00 0.00 C ATOM 6 OG1 THR A 9 17.066 15.231 -2.020 1.00 0.00 O ATOM 7 CG2 THR A 9 16.779 12.909 -1.436 1.00 0.00 C ATOM 0 HA THR A 9 16.621 13.305 -4.002 1.00 0.00 H new ATOM 0 HB THR A 9 15.241 14.412 -1.532 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.863 15.869 -2.736 1.00 0.00 H new ATOM 0 HG21 THR A 9 17.026 13.122 -0.396 1.00 0.00 H new ATOM 0 HG22 THR A 9 16.074 12.079 -1.479 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.687 12.643 -1.978 1.00 0.00 H new ATOM 17 N PHE A 10 14.668 11.704 -3.531 1.00 0.00 N ATOM 18 CA PHE A 10 13.468 10.821 -3.584 1.00 0.00 C ATOM 19 C PHE A 10 13.391 9.991 -2.297 1.00 0.00 C ATOM 20 O PHE A 10 13.995 10.326 -1.298 1.00 0.00 O ATOM 21 CB PHE A 10 13.578 9.890 -4.795 1.00 0.00 C ATOM 22 CG PHE A 10 13.539 10.715 -6.082 1.00 0.00 C ATOM 23 CD1 PHE A 10 14.609 11.515 -6.439 1.00 0.00 C ATOM 24 CD2 PHE A 10 12.429 10.668 -6.908 1.00 0.00 C ATOM 25 CE1 PHE A 10 14.571 12.254 -7.604 1.00 0.00 C ATOM 26 CE2 PHE A 10 12.393 11.408 -8.073 1.00 0.00 C ATOM 27 CZ PHE A 10 13.463 12.200 -8.420 1.00 0.00 C ATOM 0 H PHE A 10 15.561 11.218 -3.443 1.00 0.00 H new ATOM 0 HA PHE A 10 12.567 11.428 -3.676 1.00 0.00 H new ATOM 0 HB2 PHE A 10 14.506 9.320 -4.745 1.00 0.00 H new ATOM 0 HB3 PHE A 10 12.760 9.170 -4.788 1.00 0.00 H new ATOM 0 HD1 PHE A 10 15.480 11.562 -5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 10 11.586 10.049 -6.639 1.00 0.00 H new ATOM 0 HE1 PHE A 10 15.411 12.875 -7.876 1.00 0.00 H new ATOM 0 HE2 PHE A 10 11.524 11.365 -8.713 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.434 12.779 -9.331 1.00 0.00 H new ATOM 37 N VAL A 11 12.655 8.910 -2.313 1.00 0.00 N ATOM 38 CA VAL A 11 12.544 8.067 -1.088 1.00 0.00 C ATOM 39 C VAL A 11 12.373 6.603 -1.498 1.00 0.00 C ATOM 40 O VAL A 11 11.648 6.292 -2.419 1.00 0.00 O ATOM 41 CB VAL A 11 11.332 8.512 -0.267 1.00 0.00 C ATOM 42 CG1 VAL A 11 11.435 7.937 1.147 1.00 0.00 C ATOM 43 CG2 VAL A 11 11.297 10.040 -0.194 1.00 0.00 C ATOM 0 H VAL A 11 12.128 8.576 -3.120 1.00 0.00 H new ATOM 0 HA VAL A 11 13.446 8.177 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 11 10.420 8.150 -0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.572 8.254 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.459 6.848 1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 11 12.347 8.299 1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.433 10.357 0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.209 10.403 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.223 10.451 -1.201 1.00 0.00 H new ATOM 53 N ALA A 12 13.030 5.702 -0.818 1.00 0.00 N ATOM 54 CA ALA A 12 12.903 4.260 -1.176 1.00 0.00 C ATOM 55 C ALA A 12 11.502 3.752 -0.821 1.00 0.00 C ATOM 56 O ALA A 12 11.274 3.202 0.236 1.00 0.00 O ATOM 57 CB ALA A 12 13.951 3.449 -0.412 1.00 0.00 C ATOM 0 H ALA A 12 13.648 5.902 -0.032 1.00 0.00 H new ATOM 0 HA ALA A 12 13.062 4.144 -2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.858 2.395 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.948 3.802 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.795 3.571 0.660 1.00 0.00 H new ATOM 63 N LEU A 13 10.564 3.939 -1.704 1.00 0.00 N ATOM 64 CA LEU A 13 9.171 3.479 -1.449 1.00 0.00 C ATOM 65 C LEU A 13 9.189 2.109 -0.773 1.00 0.00 C ATOM 66 O LEU A 13 8.530 1.887 0.225 1.00 0.00 O ATOM 67 CB LEU A 13 8.440 3.349 -2.783 1.00 0.00 C ATOM 68 CG LEU A 13 7.559 4.574 -3.018 1.00 0.00 C ATOM 69 CD1 LEU A 13 6.725 4.349 -4.279 1.00 0.00 C ATOM 70 CD2 LEU A 13 6.630 4.774 -1.819 1.00 0.00 C ATOM 0 H LEU A 13 10.705 4.397 -2.604 1.00 0.00 H new ATOM 0 HA LEU A 13 8.669 4.200 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.161 3.249 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.830 2.446 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 13 8.182 5.460 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.092 5.218 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.388 4.203 -5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.100 3.465 -4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.002 5.649 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.000 3.893 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.225 4.923 -0.918 1.00 0.00 H new ATOM 82 N TYR A 14 9.939 1.187 -1.307 1.00 0.00 N ATOM 83 CA TYR A 14 9.996 -0.171 -0.698 1.00 0.00 C ATOM 84 C TYR A 14 11.380 -0.431 -0.106 1.00 0.00 C ATOM 85 O TYR A 14 12.207 0.455 -0.013 1.00 0.00 O ATOM 86 CB TYR A 14 9.705 -1.208 -1.775 1.00 0.00 C ATOM 87 CG TYR A 14 8.261 -1.045 -2.245 1.00 0.00 C ATOM 88 CD1 TYR A 14 7.934 -0.069 -3.160 1.00 0.00 C ATOM 89 CD2 TYR A 14 7.269 -1.865 -1.757 1.00 0.00 C ATOM 90 CE1 TYR A 14 6.631 0.085 -3.586 1.00 0.00 C ATOM 91 CE2 TYR A 14 5.962 -1.714 -2.181 1.00 0.00 C ATOM 92 CZ TYR A 14 5.634 -0.736 -3.098 1.00 0.00 C ATOM 93 OH TYR A 14 4.330 -0.581 -3.521 1.00 0.00 O ATOM 0 H TYR A 14 10.515 1.315 -2.139 1.00 0.00 H new ATOM 0 HA TYR A 14 9.256 -0.237 0.099 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.390 -1.083 -2.613 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.862 -2.213 -1.383 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.704 0.581 -3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.514 -2.632 -1.037 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.389 0.853 -4.306 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.193 -2.365 -1.792 1.00 0.00 H new ATOM 0 HH TYR A 14 3.761 -1.244 -3.077 1.00 0.00 H new ATOM 103 N ASP A 15 11.634 -1.647 0.294 1.00 0.00 N ATOM 104 CA ASP A 15 12.960 -1.982 0.881 1.00 0.00 C ATOM 105 C ASP A 15 13.653 -3.031 0.008 1.00 0.00 C ATOM 106 O ASP A 15 13.889 -4.143 0.438 1.00 0.00 O ATOM 107 CB ASP A 15 12.766 -2.535 2.296 1.00 0.00 C ATOM 108 CG ASP A 15 14.074 -3.157 2.791 1.00 0.00 C ATOM 109 OD1 ASP A 15 15.042 -2.429 2.925 1.00 0.00 O ATOM 110 OD2 ASP A 15 14.084 -4.355 3.027 1.00 0.00 O ATOM 0 H ASP A 15 10.977 -2.425 0.239 1.00 0.00 H new ATOM 0 HA ASP A 15 13.577 -1.085 0.926 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.454 -1.736 2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.973 -3.282 2.299 1.00 0.00 H new ATOM 115 N TYR A 16 13.950 -2.690 -1.224 1.00 0.00 N ATOM 116 CA TYR A 16 14.634 -3.656 -2.146 1.00 0.00 C ATOM 117 C TYR A 16 15.596 -4.536 -1.341 1.00 0.00 C ATOM 118 O TYR A 16 16.557 -4.060 -0.774 1.00 0.00 O ATOM 119 CB TYR A 16 15.414 -2.858 -3.196 1.00 0.00 C ATOM 120 CG TYR A 16 16.023 -3.796 -4.243 1.00 0.00 C ATOM 121 CD1 TYR A 16 15.725 -5.144 -4.251 1.00 0.00 C ATOM 122 CD2 TYR A 16 16.880 -3.296 -5.202 1.00 0.00 C ATOM 123 CE1 TYR A 16 16.279 -5.976 -5.204 1.00 0.00 C ATOM 124 CE2 TYR A 16 17.434 -4.127 -6.152 1.00 0.00 C ATOM 125 CZ TYR A 16 17.137 -5.473 -6.162 1.00 0.00 C ATOM 126 OH TYR A 16 17.686 -6.304 -7.116 1.00 0.00 O ATOM 0 H TYR A 16 13.747 -1.778 -1.634 1.00 0.00 H new ATOM 0 HA TYR A 16 13.899 -4.293 -2.637 1.00 0.00 H new ATOM 0 HB2 TYR A 16 14.752 -2.142 -3.683 1.00 0.00 H new ATOM 0 HB3 TYR A 16 16.203 -2.283 -2.711 1.00 0.00 H new ATOM 0 HD1 TYR A 16 15.055 -5.550 -3.508 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.119 -2.243 -5.208 1.00 0.00 H new ATOM 0 HE1 TYR A 16 16.039 -7.029 -5.200 1.00 0.00 H new ATOM 0 HE2 TYR A 16 18.106 -3.721 -6.894 1.00 0.00 H new ATOM 0 HH TYR A 16 17.787 -5.813 -7.958 1.00 0.00 H new ATOM 136 N GLU A 17 15.346 -5.819 -1.283 1.00 0.00 N ATOM 137 CA GLU A 17 16.251 -6.717 -0.510 1.00 0.00 C ATOM 138 C GLU A 17 17.073 -7.600 -1.452 1.00 0.00 C ATOM 139 O GLU A 17 17.095 -8.808 -1.319 1.00 0.00 O ATOM 140 CB GLU A 17 15.415 -7.606 0.415 1.00 0.00 C ATOM 141 CG GLU A 17 16.338 -8.554 1.183 1.00 0.00 C ATOM 142 CD GLU A 17 15.857 -9.995 1.000 1.00 0.00 C ATOM 143 OE1 GLU A 17 14.725 -10.172 0.584 1.00 0.00 O ATOM 144 OE2 GLU A 17 16.630 -10.896 1.279 1.00 0.00 O ATOM 0 H GLU A 17 14.557 -6.281 -1.736 1.00 0.00 H new ATOM 0 HA GLU A 17 16.933 -6.102 0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.847 -6.991 1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.693 -8.178 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 17 17.362 -8.453 0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 17 16.345 -8.293 2.241 1.00 0.00 H new ATOM 151 N SER A 18 17.749 -7.017 -2.403 1.00 0.00 N ATOM 152 CA SER A 18 18.564 -7.844 -3.341 1.00 0.00 C ATOM 153 C SER A 18 19.803 -8.359 -2.607 1.00 0.00 C ATOM 154 O SER A 18 19.913 -8.249 -1.402 1.00 0.00 O ATOM 155 CB SER A 18 19.003 -6.997 -4.535 1.00 0.00 C ATOM 156 OG SER A 18 18.821 -5.621 -4.236 1.00 0.00 O ATOM 0 H SER A 18 17.774 -6.011 -2.572 1.00 0.00 H new ATOM 0 HA SER A 18 17.965 -8.682 -3.696 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.050 -7.193 -4.768 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.424 -7.267 -5.418 1.00 0.00 H new ATOM 0 HG SER A 18 17.920 -5.344 -4.505 1.00 0.00 H new ATOM 162 N ARG A 19 20.735 -8.922 -3.324 1.00 0.00 N ATOM 163 CA ARG A 19 21.967 -9.443 -2.665 1.00 0.00 C ATOM 164 C ARG A 19 23.170 -9.270 -3.596 1.00 0.00 C ATOM 165 O ARG A 19 24.265 -8.975 -3.162 1.00 0.00 O ATOM 166 CB ARG A 19 21.783 -10.926 -2.338 1.00 0.00 C ATOM 167 CG ARG A 19 21.921 -11.135 -0.828 1.00 0.00 C ATOM 168 CD ARG A 19 21.183 -12.410 -0.419 1.00 0.00 C ATOM 169 NE ARG A 19 21.345 -12.630 1.045 1.00 0.00 N ATOM 170 CZ ARG A 19 22.435 -13.180 1.506 1.00 0.00 C ATOM 171 NH1 ARG A 19 22.914 -14.253 0.938 1.00 0.00 N ATOM 172 NH2 ARG A 19 23.045 -12.657 2.534 1.00 0.00 N ATOM 0 H ARG A 19 20.698 -9.044 -4.336 1.00 0.00 H new ATOM 0 HA ARG A 19 22.144 -8.885 -1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 19 20.803 -11.265 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 19 22.526 -11.521 -2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 19 22.974 -11.208 -0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 19 21.512 -10.278 -0.293 1.00 0.00 H new ATOM 0 HD2 ARG A 19 20.126 -12.327 -0.670 1.00 0.00 H new ATOM 0 HD3 ARG A 19 21.576 -13.263 -0.971 1.00 0.00 H new ATOM 0 HE ARG A 19 20.604 -12.351 1.688 1.00 0.00 H new ATOM 0 HH11 ARG A 19 22.436 -14.661 0.134 1.00 0.00 H new ATOM 0 HH12 ARG A 19 23.766 -14.683 1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 19 22.670 -11.818 2.977 1.00 0.00 H new ATOM 0 HH22 ARG A 19 23.897 -13.087 2.894 1.00 0.00 H new ATOM 186 N THR A 20 22.977 -9.449 -4.874 1.00 0.00 N ATOM 187 CA THR A 20 24.112 -9.294 -5.827 1.00 0.00 C ATOM 188 C THR A 20 24.632 -7.856 -5.773 1.00 0.00 C ATOM 189 O THR A 20 23.885 -6.923 -5.553 1.00 0.00 O ATOM 190 CB THR A 20 23.636 -9.614 -7.246 1.00 0.00 C ATOM 191 OG1 THR A 20 22.426 -10.356 -7.181 1.00 0.00 O ATOM 192 CG2 THR A 20 24.703 -10.436 -7.970 1.00 0.00 C ATOM 0 H THR A 20 22.083 -9.696 -5.299 1.00 0.00 H new ATOM 0 HA THR A 20 24.913 -9.979 -5.551 1.00 0.00 H new ATOM 0 HB THR A 20 23.464 -8.686 -7.791 1.00 0.00 H new ATOM 0 HG1 THR A 20 22.119 -10.560 -8.089 1.00 0.00 H new ATOM 0 HG21 THR A 20 24.363 -10.664 -8.980 1.00 0.00 H new ATOM 0 HG22 THR A 20 25.631 -9.866 -8.019 1.00 0.00 H new ATOM 0 HG23 THR A 20 24.876 -11.365 -7.428 1.00 0.00 H new ATOM 200 N GLU A 21 25.909 -7.669 -5.975 1.00 0.00 N ATOM 201 CA GLU A 21 26.479 -6.297 -5.936 1.00 0.00 C ATOM 202 C GLU A 21 25.859 -5.450 -7.049 1.00 0.00 C ATOM 203 O GLU A 21 25.889 -4.235 -7.007 1.00 0.00 O ATOM 204 CB GLU A 21 27.992 -6.379 -6.133 1.00 0.00 C ATOM 205 CG GLU A 21 28.299 -6.937 -7.524 1.00 0.00 C ATOM 206 CD GLU A 21 29.643 -6.386 -8.008 1.00 0.00 C ATOM 207 OE1 GLU A 21 30.232 -5.599 -7.285 1.00 0.00 O ATOM 208 OE2 GLU A 21 30.058 -6.760 -9.092 1.00 0.00 O ATOM 0 H GLU A 21 26.582 -8.412 -6.166 1.00 0.00 H new ATOM 0 HA GLU A 21 26.259 -5.835 -4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 21 28.438 -5.391 -6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 21 28.434 -7.017 -5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 21 28.330 -8.026 -7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 21 27.508 -6.661 -8.221 1.00 0.00 H new ATOM 215 N THR A 22 25.299 -6.078 -8.046 1.00 0.00 N ATOM 216 CA THR A 22 24.681 -5.302 -9.159 1.00 0.00 C ATOM 217 C THR A 22 23.854 -4.152 -8.581 1.00 0.00 C ATOM 218 O THR A 22 24.160 -2.993 -8.780 1.00 0.00 O ATOM 219 CB THR A 22 23.771 -6.217 -9.985 1.00 0.00 C ATOM 220 OG1 THR A 22 23.874 -7.550 -9.506 1.00 0.00 O ATOM 221 CG2 THR A 22 24.193 -6.167 -11.454 1.00 0.00 C ATOM 0 H THR A 22 25.242 -7.092 -8.139 1.00 0.00 H new ATOM 0 HA THR A 22 25.468 -4.902 -9.799 1.00 0.00 H new ATOM 0 HB THR A 22 22.739 -5.879 -9.893 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.290 -8.133 -10.034 1.00 0.00 H new ATOM 0 HG21 THR A 22 23.545 -6.818 -12.041 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.109 -5.144 -11.822 1.00 0.00 H new ATOM 0 HG23 THR A 22 25.226 -6.503 -11.548 1.00 0.00 H new ATOM 229 N ASP A 23 22.809 -4.463 -7.864 1.00 0.00 N ATOM 230 CA ASP A 23 21.963 -3.387 -7.272 1.00 0.00 C ATOM 231 C ASP A 23 21.955 -3.527 -5.750 1.00 0.00 C ATOM 232 O ASP A 23 22.026 -4.617 -5.217 1.00 0.00 O ATOM 233 CB ASP A 23 20.534 -3.510 -7.805 1.00 0.00 C ATOM 234 CG ASP A 23 20.165 -4.990 -7.941 1.00 0.00 C ATOM 235 OD1 ASP A 23 20.481 -5.744 -7.035 1.00 0.00 O ATOM 236 OD2 ASP A 23 19.574 -5.342 -8.948 1.00 0.00 O ATOM 0 H ASP A 23 22.504 -5.415 -7.662 1.00 0.00 H new ATOM 0 HA ASP A 23 22.368 -2.413 -7.545 1.00 0.00 H new ATOM 0 HB2 ASP A 23 19.839 -3.011 -7.130 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.451 -3.013 -8.772 1.00 0.00 H new ATOM 241 N LEU A 24 21.869 -2.433 -5.043 1.00 0.00 N ATOM 242 CA LEU A 24 21.857 -2.508 -3.556 1.00 0.00 C ATOM 243 C LEU A 24 20.461 -2.889 -3.073 1.00 0.00 C ATOM 244 O LEU A 24 19.600 -3.260 -3.846 1.00 0.00 O ATOM 245 CB LEU A 24 22.225 -1.140 -2.974 1.00 0.00 C ATOM 246 CG LEU A 24 23.736 -0.873 -3.096 1.00 0.00 C ATOM 247 CD1 LEU A 24 24.435 -1.304 -1.807 1.00 0.00 C ATOM 248 CD2 LEU A 24 24.338 -1.640 -4.281 1.00 0.00 C ATOM 0 H LEU A 24 21.807 -1.492 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 24 22.578 -3.258 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 24 21.672 -0.359 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 24 21.928 -1.096 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 24 23.883 0.194 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 24 25.505 -1.115 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 24 24.033 -0.737 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 24 24.267 -2.368 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 24 25.406 -1.433 -4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 24 24.183 -2.710 -4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 24 23.852 -1.323 -5.204 1.00 0.00 H new ATOM 260 N SER A 25 20.233 -2.797 -1.794 1.00 0.00 N ATOM 261 CA SER A 25 18.902 -3.148 -1.243 1.00 0.00 C ATOM 262 C SER A 25 18.309 -1.927 -0.539 1.00 0.00 C ATOM 263 O SER A 25 17.110 -1.730 -0.525 1.00 0.00 O ATOM 264 CB SER A 25 19.069 -4.278 -0.227 1.00 0.00 C ATOM 265 OG SER A 25 18.904 -5.530 -0.872 1.00 0.00 O ATOM 0 H SER A 25 20.919 -2.491 -1.104 1.00 0.00 H new ATOM 0 HA SER A 25 18.240 -3.465 -2.049 1.00 0.00 H new ATOM 0 HB2 SER A 25 20.055 -4.223 0.234 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.337 -4.171 0.573 1.00 0.00 H new ATOM 0 HG SER A 25 19.657 -6.116 -0.647 1.00 0.00 H new ATOM 271 N PHE A 26 19.153 -1.090 0.010 1.00 0.00 N ATOM 272 CA PHE A 26 18.674 0.132 0.725 1.00 0.00 C ATOM 273 C PHE A 26 17.405 -0.198 1.514 1.00 0.00 C ATOM 274 O PHE A 26 17.061 -1.347 1.705 1.00 0.00 O ATOM 275 CB PHE A 26 18.429 1.301 -0.250 1.00 0.00 C ATOM 276 CG PHE A 26 17.643 0.872 -1.498 1.00 0.00 C ATOM 277 CD1 PHE A 26 18.220 0.059 -2.459 1.00 0.00 C ATOM 278 CD2 PHE A 26 16.366 1.361 -1.715 1.00 0.00 C ATOM 279 CE1 PHE A 26 17.529 -0.253 -3.615 1.00 0.00 C ATOM 280 CE2 PHE A 26 15.682 1.047 -2.874 1.00 0.00 C ATOM 281 CZ PHE A 26 16.263 0.241 -3.818 1.00 0.00 C ATOM 0 H PHE A 26 20.167 -1.203 -0.007 1.00 0.00 H new ATOM 0 HA PHE A 26 19.452 0.452 1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 26 17.883 2.091 0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 26 19.387 1.722 -0.555 1.00 0.00 H new ATOM 0 HD1 PHE A 26 19.214 -0.333 -2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 26 15.901 1.993 -0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 26 17.986 -0.887 -4.361 1.00 0.00 H new ATOM 0 HE2 PHE A 26 14.688 1.437 -3.036 1.00 0.00 H new ATOM 0 HZ PHE A 26 15.726 -0.006 -4.722 1.00 0.00 H new ATOM 291 N LYS A 27 16.724 0.792 2.011 1.00 0.00 N ATOM 292 CA LYS A 27 15.484 0.507 2.786 1.00 0.00 C ATOM 293 C LYS A 27 14.494 1.661 2.642 1.00 0.00 C ATOM 294 O LYS A 27 14.839 2.743 2.210 1.00 0.00 O ATOM 295 CB LYS A 27 15.841 0.326 4.263 1.00 0.00 C ATOM 296 CG LYS A 27 14.684 -0.365 4.988 1.00 0.00 C ATOM 297 CD LYS A 27 15.223 -1.103 6.215 1.00 0.00 C ATOM 298 CE LYS A 27 14.493 -2.438 6.371 1.00 0.00 C ATOM 299 NZ LYS A 27 13.872 -2.509 7.724 1.00 0.00 N ATOM 0 H LYS A 27 16.967 1.778 1.917 1.00 0.00 H new ATOM 0 HA LYS A 27 15.025 -0.404 2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.750 -0.268 4.358 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.044 1.294 4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.939 0.370 5.290 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.187 -1.066 4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.294 -1.273 6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.084 -0.494 7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.727 -2.538 5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.191 -3.264 6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.375 -3.417 7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.612 -2.432 8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.194 -1.728 7.836 1.00 0.00 H new ATOM 313 N LYS A 28 13.262 1.433 3.003 1.00 0.00 N ATOM 314 CA LYS A 28 12.237 2.506 2.891 1.00 0.00 C ATOM 315 C LYS A 28 12.379 3.471 4.068 1.00 0.00 C ATOM 316 O LYS A 28 12.352 3.077 5.217 1.00 0.00 O ATOM 317 CB LYS A 28 10.843 1.876 2.899 1.00 0.00 C ATOM 318 CG LYS A 28 9.784 2.976 2.994 1.00 0.00 C ATOM 319 CD LYS A 28 9.261 3.056 4.430 1.00 0.00 C ATOM 320 CE LYS A 28 7.856 3.662 4.425 1.00 0.00 C ATOM 321 NZ LYS A 28 7.854 4.897 3.591 1.00 0.00 N ATOM 0 H LYS A 28 12.920 0.546 3.372 1.00 0.00 H new ATOM 0 HA LYS A 28 12.379 3.055 1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.693 1.290 1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.747 1.191 3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.211 3.934 2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.964 2.766 2.308 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.239 2.062 4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.930 3.664 5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.139 2.942 4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.545 3.897 5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.045 5.494 3.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.738 5.423 3.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.778 4.638 2.587 1.00 0.00 H new ATOM 335 N GLY A 29 12.526 4.736 3.787 1.00 0.00 N ATOM 336 CA GLY A 29 12.670 5.732 4.885 1.00 0.00 C ATOM 337 C GLY A 29 14.138 6.149 5.001 1.00 0.00 C ATOM 338 O GLY A 29 14.479 7.053 5.738 1.00 0.00 O ATOM 0 H GLY A 29 12.553 5.123 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.047 6.604 4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.326 5.304 5.827 1.00 0.00 H new ATOM 342 N GLU A 30 15.011 5.495 4.281 1.00 0.00 N ATOM 343 CA GLU A 30 16.453 5.856 4.355 1.00 0.00 C ATOM 344 C GLU A 30 16.766 6.915 3.296 1.00 0.00 C ATOM 345 O GLU A 30 16.438 6.763 2.136 1.00 0.00 O ATOM 346 CB GLU A 30 17.306 4.611 4.101 1.00 0.00 C ATOM 347 CG GLU A 30 18.592 4.700 4.925 1.00 0.00 C ATOM 348 CD GLU A 30 18.526 3.705 6.086 1.00 0.00 C ATOM 349 OE1 GLU A 30 17.712 2.799 6.017 1.00 0.00 O ATOM 350 OE2 GLU A 30 19.290 3.867 7.023 1.00 0.00 O ATOM 0 H GLU A 30 14.786 4.728 3.647 1.00 0.00 H new ATOM 0 HA GLU A 30 16.679 6.253 5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 30 16.749 3.714 4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.545 4.531 3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 30 19.455 4.484 4.296 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.722 5.713 5.307 1.00 0.00 H new ATOM 357 N ARG A 31 17.399 7.988 3.684 1.00 0.00 N ATOM 358 CA ARG A 31 17.731 9.054 2.699 1.00 0.00 C ATOM 359 C ARG A 31 18.468 8.440 1.508 1.00 0.00 C ATOM 360 O ARG A 31 19.538 7.883 1.649 1.00 0.00 O ATOM 361 CB ARG A 31 18.623 10.102 3.366 1.00 0.00 C ATOM 362 CG ARG A 31 17.750 11.187 3.997 1.00 0.00 C ATOM 363 CD ARG A 31 17.818 12.456 3.145 1.00 0.00 C ATOM 364 NE ARG A 31 18.235 13.604 3.997 1.00 0.00 N ATOM 365 CZ ARG A 31 17.855 14.814 3.690 1.00 0.00 C ATOM 366 NH1 ARG A 31 16.585 15.104 3.637 1.00 0.00 N ATOM 367 NH2 ARG A 31 18.746 15.733 3.439 1.00 0.00 N ATOM 0 H ARG A 31 17.700 8.172 4.641 1.00 0.00 H new ATOM 0 HA ARG A 31 16.812 9.526 2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 31 19.246 9.633 4.127 1.00 0.00 H new ATOM 0 HB3 ARG A 31 19.296 10.543 2.631 1.00 0.00 H new ATOM 0 HG2 ARG A 31 16.719 10.841 4.072 1.00 0.00 H new ATOM 0 HG3 ARG A 31 18.090 11.398 5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 31 18.526 12.320 2.327 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.846 12.657 2.695 1.00 0.00 H new ATOM 0 HE ARG A 31 18.817 13.445 4.819 1.00 0.00 H new ATOM 0 HH11 ARG A 31 15.889 14.385 3.835 1.00 0.00 H new ATOM 0 HH12 ARG A 31 16.287 16.050 3.397 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.739 15.506 3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.449 16.679 3.199 1.00 0.00 H new ATOM 381 N LEU A 32 17.905 8.538 0.334 1.00 0.00 N ATOM 382 CA LEU A 32 18.576 7.960 -0.863 1.00 0.00 C ATOM 383 C LEU A 32 18.604 8.999 -1.985 1.00 0.00 C ATOM 384 O LEU A 32 17.642 9.176 -2.706 1.00 0.00 O ATOM 385 CB LEU A 32 17.807 6.723 -1.331 1.00 0.00 C ATOM 386 CG LEU A 32 18.290 5.499 -0.550 1.00 0.00 C ATOM 387 CD1 LEU A 32 17.092 4.799 0.095 1.00 0.00 C ATOM 388 CD2 LEU A 32 18.995 4.530 -1.501 1.00 0.00 C ATOM 0 H LEU A 32 17.010 8.993 0.153 1.00 0.00 H new ATOM 0 HA LEU A 32 19.597 7.677 -0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.737 6.867 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.959 6.570 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 32 18.986 5.817 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 32 17.436 3.927 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.590 5.488 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.395 4.482 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 32 19.339 3.659 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.300 4.213 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.850 5.027 -1.960 1.00 0.00 H new ATOM 400 N GLN A 33 19.701 9.691 -2.137 1.00 0.00 N ATOM 401 CA GLN A 33 19.791 10.719 -3.211 1.00 0.00 C ATOM 402 C GLN A 33 19.754 10.031 -4.578 1.00 0.00 C ATOM 403 O GLN A 33 20.724 9.441 -5.012 1.00 0.00 O ATOM 404 CB GLN A 33 21.100 11.497 -3.067 1.00 0.00 C ATOM 405 CG GLN A 33 21.026 12.778 -3.902 1.00 0.00 C ATOM 406 CD GLN A 33 22.362 13.001 -4.614 1.00 0.00 C ATOM 407 OE1 GLN A 33 22.651 12.357 -5.602 1.00 0.00 O ATOM 408 NE2 GLN A 33 23.193 13.895 -4.151 1.00 0.00 N ATOM 0 H GLN A 33 20.538 9.588 -1.563 1.00 0.00 H new ATOM 0 HA GLN A 33 18.950 11.407 -3.126 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.276 11.742 -2.020 1.00 0.00 H new ATOM 0 HB3 GLN A 33 21.938 10.883 -3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 33 20.221 12.703 -4.633 1.00 0.00 H new ATOM 0 HG3 GLN A 33 20.797 13.630 -3.261 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.950 14.436 -3.321 1.00 0.00 H new ATOM 0 HE22 GLN A 33 24.085 14.053 -4.619 1.00 0.00 H new ATOM 417 N ILE A 34 18.643 10.103 -5.258 1.00 0.00 N ATOM 418 CA ILE A 34 18.543 9.454 -6.595 1.00 0.00 C ATOM 419 C ILE A 34 19.553 10.090 -7.553 1.00 0.00 C ATOM 420 O ILE A 34 19.939 11.231 -7.398 1.00 0.00 O ATOM 421 CB ILE A 34 17.126 9.641 -7.146 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.163 8.714 -6.402 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.106 9.300 -8.639 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.427 7.266 -6.821 1.00 0.00 C ATOM 0 H ILE A 34 17.800 10.584 -4.945 1.00 0.00 H new ATOM 0 HA ILE A 34 18.759 8.390 -6.499 1.00 0.00 H new ATOM 0 HB ILE A 34 16.818 10.677 -7.006 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.295 8.823 -5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.132 8.987 -6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.097 9.434 -9.029 1.00 0.00 H new ATOM 0 HG22 ILE A 34 17.791 9.959 -9.172 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.415 8.264 -8.780 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.742 6.603 -6.292 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.273 7.164 -7.895 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.454 6.997 -6.575 1.00 0.00 H new ATOM 436 N VAL A 35 19.982 9.355 -8.543 1.00 0.00 N ATOM 437 CA VAL A 35 20.965 9.910 -9.514 1.00 0.00 C ATOM 438 C VAL A 35 20.256 10.205 -10.836 1.00 0.00 C ATOM 439 O VAL A 35 19.977 11.341 -11.165 1.00 0.00 O ATOM 440 CB VAL A 35 22.081 8.891 -9.749 1.00 0.00 C ATOM 441 CG1 VAL A 35 23.039 9.421 -10.816 1.00 0.00 C ATOM 442 CG2 VAL A 35 22.846 8.662 -8.444 1.00 0.00 C ATOM 0 H VAL A 35 19.693 8.393 -8.721 1.00 0.00 H new ATOM 0 HA VAL A 35 21.394 10.830 -9.116 1.00 0.00 H new ATOM 0 HB VAL A 35 21.648 7.949 -10.086 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.835 8.695 -10.984 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.494 9.583 -11.746 1.00 0.00 H new ATOM 0 HG13 VAL A 35 23.472 10.363 -10.480 1.00 0.00 H new ATOM 0 HG21 VAL A 35 23.641 7.936 -8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.279 9.603 -8.106 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.163 8.283 -7.684 1.00 0.00 H new ATOM 452 N ASN A 36 19.960 9.187 -11.593 1.00 0.00 N ATOM 453 CA ASN A 36 19.269 9.400 -12.894 1.00 0.00 C ATOM 454 C ASN A 36 17.809 8.960 -12.768 1.00 0.00 C ATOM 455 O ASN A 36 17.347 8.613 -11.700 1.00 0.00 O ATOM 456 CB ASN A 36 19.959 8.574 -13.981 1.00 0.00 C ATOM 457 CG ASN A 36 20.515 7.282 -13.377 1.00 0.00 C ATOM 458 OD1 ASN A 36 21.507 7.303 -12.677 1.00 0.00 O ATOM 459 ND2 ASN A 36 19.912 6.150 -13.621 1.00 0.00 N ATOM 0 H ASN A 36 20.167 8.214 -11.366 1.00 0.00 H new ATOM 0 HA ASN A 36 19.311 10.456 -13.161 1.00 0.00 H new ATOM 0 HB2 ASN A 36 19.251 8.339 -14.776 1.00 0.00 H new ATOM 0 HB3 ASN A 36 20.766 9.152 -14.432 1.00 0.00 H new ATOM 0 HD21 ASN A 36 20.274 5.283 -13.224 1.00 0.00 H new ATOM 0 HD22 ASN A 36 19.079 6.132 -14.209 1.00 0.00 H new ATOM 466 N ASN A 37 17.075 8.975 -13.848 1.00 0.00 N ATOM 467 CA ASN A 37 15.647 8.555 -13.776 1.00 0.00 C ATOM 468 C ASN A 37 14.958 8.807 -15.116 1.00 0.00 C ATOM 469 O ASN A 37 14.279 9.797 -15.299 1.00 0.00 O ATOM 470 CB ASN A 37 14.927 9.347 -12.680 1.00 0.00 C ATOM 471 CG ASN A 37 15.593 10.715 -12.506 1.00 0.00 C ATOM 472 OD1 ASN A 37 16.339 10.926 -11.573 1.00 0.00 O ATOM 473 ND2 ASN A 37 15.350 11.658 -13.375 1.00 0.00 N ATOM 0 H ASN A 37 17.401 9.258 -14.772 1.00 0.00 H new ATOM 0 HA ASN A 37 15.606 7.491 -13.544 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.876 9.474 -12.941 1.00 0.00 H new ATOM 0 HB3 ASN A 37 14.957 8.795 -11.740 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.788 12.573 -13.270 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.723 11.480 -14.159 1.00 0.00 H new ATOM 480 N THR A 38 15.127 7.920 -16.058 1.00 0.00 N ATOM 481 CA THR A 38 14.477 8.116 -17.382 1.00 0.00 C ATOM 482 C THR A 38 13.092 7.453 -17.362 1.00 0.00 C ATOM 483 O THR A 38 12.159 7.983 -16.793 1.00 0.00 O ATOM 484 CB THR A 38 15.355 7.508 -18.485 1.00 0.00 C ATOM 485 OG1 THR A 38 14.572 7.289 -19.650 1.00 0.00 O ATOM 486 CG2 THR A 38 15.951 6.183 -18.005 1.00 0.00 C ATOM 0 H THR A 38 15.685 7.071 -15.968 1.00 0.00 H new ATOM 0 HA THR A 38 14.359 9.180 -17.587 1.00 0.00 H new ATOM 0 HB THR A 38 16.166 8.198 -18.719 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.134 6.903 -20.354 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.573 5.757 -18.793 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.559 6.358 -17.117 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.146 5.489 -17.763 1.00 0.00 H new ATOM 494 N GLU A 39 12.942 6.307 -17.970 1.00 0.00 N ATOM 495 CA GLU A 39 11.612 5.639 -17.967 1.00 0.00 C ATOM 496 C GLU A 39 11.525 4.707 -16.758 1.00 0.00 C ATOM 497 O GLU A 39 12.521 4.193 -16.291 1.00 0.00 O ATOM 498 CB GLU A 39 11.445 4.826 -19.252 1.00 0.00 C ATOM 499 CG GLU A 39 10.756 5.686 -20.312 1.00 0.00 C ATOM 500 CD GLU A 39 11.646 5.776 -21.552 1.00 0.00 C ATOM 501 OE1 GLU A 39 12.127 4.743 -21.988 1.00 0.00 O ATOM 502 OE2 GLU A 39 11.833 6.876 -22.045 1.00 0.00 O ATOM 0 H GLU A 39 13.680 5.808 -18.466 1.00 0.00 H new ATOM 0 HA GLU A 39 10.823 6.389 -17.911 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.418 4.494 -19.614 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.855 3.931 -19.055 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.790 5.254 -20.575 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.562 6.683 -19.917 1.00 0.00 H new ATOM 509 N GLY A 40 10.346 4.487 -16.241 1.00 0.00 N ATOM 510 CA GLY A 40 10.213 3.586 -15.061 1.00 0.00 C ATOM 511 C GLY A 40 11.059 2.334 -15.297 1.00 0.00 C ATOM 512 O GLY A 40 10.636 1.403 -15.954 1.00 0.00 O ATOM 0 H GLY A 40 9.474 4.890 -16.583 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.541 4.098 -14.157 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.169 3.313 -14.911 1.00 0.00 H new ATOM 516 N ASP A 41 12.252 2.302 -14.769 1.00 0.00 N ATOM 517 CA ASP A 41 13.120 1.106 -14.969 1.00 0.00 C ATOM 518 C ASP A 41 13.944 0.840 -13.702 1.00 0.00 C ATOM 519 O ASP A 41 13.422 0.406 -12.695 1.00 0.00 O ATOM 520 CB ASP A 41 14.056 1.362 -16.150 1.00 0.00 C ATOM 521 CG ASP A 41 13.228 1.634 -17.408 1.00 0.00 C ATOM 522 OD1 ASP A 41 12.461 0.766 -17.789 1.00 0.00 O ATOM 523 OD2 ASP A 41 13.376 2.708 -17.969 1.00 0.00 O ATOM 0 H ASP A 41 12.663 3.049 -14.209 1.00 0.00 H new ATOM 0 HA ASP A 41 12.499 0.234 -15.174 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.703 2.213 -15.937 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.704 0.500 -16.308 1.00 0.00 H new ATOM 528 N TRP A 42 15.228 1.089 -13.743 1.00 0.00 N ATOM 529 CA TRP A 42 16.076 0.849 -12.546 1.00 0.00 C ATOM 530 C TRP A 42 17.129 1.946 -12.463 1.00 0.00 C ATOM 531 O TRP A 42 18.256 1.777 -12.884 1.00 0.00 O ATOM 532 CB TRP A 42 16.757 -0.512 -12.674 1.00 0.00 C ATOM 533 CG TRP A 42 15.683 -1.596 -12.681 1.00 0.00 C ATOM 534 CD1 TRP A 42 14.828 -1.823 -13.690 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.422 -2.415 -11.669 1.00 0.00 C ATOM 536 NE1 TRP A 42 14.054 -2.805 -13.229 1.00 0.00 N ATOM 537 CE2 TRP A 42 14.354 -3.235 -11.973 1.00 0.00 C ATOM 538 CE3 TRP A 42 16.055 -2.522 -10.448 1.00 0.00 C ATOM 539 CZ2 TRP A 42 13.918 -4.163 -11.049 1.00 0.00 C ATOM 540 CZ3 TRP A 42 15.619 -3.449 -9.526 1.00 0.00 C ATOM 541 CH2 TRP A 42 14.551 -4.271 -9.825 1.00 0.00 C ATOM 0 H TRP A 42 15.723 1.449 -14.559 1.00 0.00 H new ATOM 0 HA TRP A 42 15.464 0.859 -11.644 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.345 -0.556 -13.591 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.447 -0.669 -11.845 1.00 0.00 H new ATOM 0 HD1 TRP A 42 14.779 -1.327 -14.648 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.293 -3.205 -13.777 1.00 0.00 H new ATOM 0 HE3 TRP A 42 16.892 -1.880 -10.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 13.082 -4.805 -11.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 16.113 -3.532 -8.569 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.210 -4.998 -9.103 1.00 0.00 H new ATOM 552 N TRP A 43 16.769 3.072 -11.921 1.00 0.00 N ATOM 553 CA TRP A 43 17.745 4.184 -11.810 1.00 0.00 C ATOM 554 C TRP A 43 18.671 3.941 -10.615 1.00 0.00 C ATOM 555 O TRP A 43 18.334 3.234 -9.683 1.00 0.00 O ATOM 556 CB TRP A 43 16.988 5.496 -11.615 1.00 0.00 C ATOM 557 CG TRP A 43 15.680 5.475 -12.416 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.512 4.914 -13.633 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.552 6.073 -12.034 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.250 5.220 -13.944 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.580 5.936 -13.006 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.272 6.759 -10.871 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.330 6.486 -12.814 1.00 0.00 C ATOM 564 CZ3 TRP A 43 13.020 7.309 -10.679 1.00 0.00 C ATOM 565 CH2 TRP A 43 12.050 7.173 -11.650 1.00 0.00 C ATOM 0 H TRP A 43 15.840 3.270 -11.550 1.00 0.00 H new ATOM 0 HA TRP A 43 18.344 4.238 -12.719 1.00 0.00 H new ATOM 0 HB2 TRP A 43 16.773 5.647 -10.557 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.607 6.333 -11.937 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.227 4.352 -14.215 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.820 4.936 -14.824 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.032 6.866 -10.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.570 6.379 -13.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 12.800 7.846 -9.768 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.071 7.604 -11.500 1.00 0.00 H new ATOM 576 N LEU A 44 19.836 4.525 -10.637 1.00 0.00 N ATOM 577 CA LEU A 44 20.788 4.333 -9.509 1.00 0.00 C ATOM 578 C LEU A 44 20.455 5.323 -8.392 1.00 0.00 C ATOM 579 O LEU A 44 19.831 6.340 -8.618 1.00 0.00 O ATOM 580 CB LEU A 44 22.215 4.579 -10.004 1.00 0.00 C ATOM 581 CG LEU A 44 23.213 4.113 -8.944 1.00 0.00 C ATOM 582 CD1 LEU A 44 23.195 2.585 -8.864 1.00 0.00 C ATOM 583 CD2 LEU A 44 24.616 4.590 -9.322 1.00 0.00 C ATOM 0 H LEU A 44 20.170 5.128 -11.389 1.00 0.00 H new ATOM 0 HA LEU A 44 20.706 3.315 -9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.384 4.043 -10.938 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.360 5.639 -10.214 1.00 0.00 H new ATOM 0 HG LEU A 44 22.937 4.529 -7.975 1.00 0.00 H new ATOM 0 HD11 LEU A 44 23.906 2.252 -8.108 1.00 0.00 H new ATOM 0 HD12 LEU A 44 22.194 2.247 -8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 44 23.471 2.167 -9.832 1.00 0.00 H new ATOM 0 HD21 LEU A 44 25.329 4.258 -8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 44 24.893 4.174 -10.290 1.00 0.00 H new ATOM 0 HD23 LEU A 44 24.627 5.678 -9.378 1.00 0.00 H new ATOM 595 N ALA A 45 20.862 5.034 -7.187 1.00 0.00 N ATOM 596 CA ALA A 45 20.566 5.962 -6.062 1.00 0.00 C ATOM 597 C ALA A 45 21.732 5.950 -5.070 1.00 0.00 C ATOM 598 O ALA A 45 22.009 4.950 -4.438 1.00 0.00 O ATOM 599 CB ALA A 45 19.287 5.513 -5.352 1.00 0.00 C ATOM 0 H ALA A 45 21.386 4.196 -6.934 1.00 0.00 H new ATOM 0 HA ALA A 45 20.430 6.971 -6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 45 19.070 6.193 -4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 45 18.457 5.522 -6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 45 19.422 4.504 -4.964 1.00 0.00 H new ATOM 605 N HIS A 46 22.415 7.052 -4.933 1.00 0.00 N ATOM 606 CA HIS A 46 23.563 7.108 -3.984 1.00 0.00 C ATOM 607 C HIS A 46 23.048 7.526 -2.601 1.00 0.00 C ATOM 608 O HIS A 46 22.260 8.442 -2.472 1.00 0.00 O ATOM 609 CB HIS A 46 24.592 8.121 -4.508 1.00 0.00 C ATOM 610 CG HIS A 46 25.416 8.703 -3.354 1.00 0.00 C ATOM 611 ND1 HIS A 46 25.032 9.548 -2.328 1.00 0.00 N flip ATOM 612 CD2 HIS A 46 26.651 8.493 -3.159 1.00 0.00 C flip ATOM 613 CE1 HIS A 46 26.089 9.811 -1.542 1.00 0.00 C flip ATOM 614 NE2 HIS A 46 27.058 9.122 -2.120 1.00 0.00 N flip ATOM 0 H HIS A 46 22.228 7.918 -5.438 1.00 0.00 H new ATOM 0 HA HIS A 46 24.039 6.131 -3.901 1.00 0.00 H new ATOM 0 HB2 HIS A 46 25.254 7.636 -5.226 1.00 0.00 H new ATOM 0 HB3 HIS A 46 24.081 8.925 -5.038 1.00 0.00 H new ATOM 0 HD1 HIS A 46 24.090 9.915 -2.190 1.00 0.00 H new ATOM 0 HD2 HIS A 46 27.274 7.870 -3.783 1.00 0.00 H new ATOM 0 HE1 HIS A 46 26.136 10.431 -0.659 1.00 0.00 H new ATOM 622 N SER A 47 23.489 6.861 -1.569 1.00 0.00 N ATOM 623 CA SER A 47 23.025 7.219 -0.197 1.00 0.00 C ATOM 624 C SER A 47 23.933 8.304 0.385 1.00 0.00 C ATOM 625 O SER A 47 25.119 8.339 0.129 1.00 0.00 O ATOM 626 CB SER A 47 23.076 5.979 0.696 1.00 0.00 C ATOM 627 OG SER A 47 22.786 4.825 -0.079 1.00 0.00 O ATOM 0 H SER A 47 24.150 6.086 -1.615 1.00 0.00 H new ATOM 0 HA SER A 47 22.002 7.592 -0.246 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.062 5.886 1.151 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.357 6.074 1.510 1.00 0.00 H new ATOM 0 HG SER A 47 22.820 4.030 0.493 1.00 0.00 H new ATOM 633 N LEU A 48 23.381 9.189 1.170 1.00 0.00 N ATOM 634 CA LEU A 48 24.209 10.275 1.770 1.00 0.00 C ATOM 635 C LEU A 48 24.835 9.781 3.076 1.00 0.00 C ATOM 636 O LEU A 48 25.660 10.445 3.669 1.00 0.00 O ATOM 637 CB LEU A 48 23.323 11.489 2.059 1.00 0.00 C ATOM 638 CG LEU A 48 22.723 12.007 0.750 1.00 0.00 C ATOM 639 CD1 LEU A 48 21.749 13.148 1.055 1.00 0.00 C ATOM 640 CD2 LEU A 48 23.843 12.522 -0.157 1.00 0.00 C ATOM 0 H LEU A 48 22.393 9.207 1.422 1.00 0.00 H new ATOM 0 HA LEU A 48 24.999 10.556 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 48 22.528 11.215 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 48 23.908 12.274 2.539 1.00 0.00 H new ATOM 0 HG LEU A 48 22.192 11.198 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 48 21.320 13.519 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 48 20.951 12.782 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 48 22.281 13.956 1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 48 23.416 12.891 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 48 24.374 13.331 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 48 24.538 11.711 -0.373 1.00 0.00 H new ATOM 652 N THR A 49 24.448 8.620 3.530 1.00 0.00 N ATOM 653 CA THR A 49 25.024 8.088 4.797 1.00 0.00 C ATOM 654 C THR A 49 26.453 7.605 4.548 1.00 0.00 C ATOM 655 O THR A 49 27.411 8.285 4.858 1.00 0.00 O ATOM 656 CB THR A 49 24.169 6.919 5.297 1.00 0.00 C ATOM 657 OG1 THR A 49 22.852 7.379 5.564 1.00 0.00 O ATOM 658 CG2 THR A 49 24.782 6.350 6.577 1.00 0.00 C ATOM 0 H THR A 49 23.759 8.018 3.079 1.00 0.00 H new ATOM 0 HA THR A 49 25.035 8.878 5.548 1.00 0.00 H new ATOM 0 HB THR A 49 24.134 6.140 4.535 1.00 0.00 H new ATOM 0 HG1 THR A 49 22.303 6.632 5.882 1.00 0.00 H new ATOM 0 HG21 THR A 49 24.174 5.518 6.933 1.00 0.00 H new ATOM 0 HG22 THR A 49 25.793 5.998 6.371 1.00 0.00 H new ATOM 0 HG23 THR A 49 24.817 7.127 7.341 1.00 0.00 H new ATOM 666 N THR A 50 26.607 6.436 3.988 1.00 0.00 N ATOM 667 CA THR A 50 27.977 5.914 3.720 1.00 0.00 C ATOM 668 C THR A 50 28.442 6.381 2.341 1.00 0.00 C ATOM 669 O THR A 50 29.607 6.643 2.124 1.00 0.00 O ATOM 670 CB THR A 50 27.956 4.384 3.759 1.00 0.00 C ATOM 671 OG1 THR A 50 26.957 3.948 4.671 1.00 0.00 O ATOM 672 CG2 THR A 50 29.323 3.864 4.206 1.00 0.00 C ATOM 0 H THR A 50 25.844 5.821 3.705 1.00 0.00 H new ATOM 0 HA THR A 50 28.663 6.289 4.480 1.00 0.00 H new ATOM 0 HB THR A 50 27.732 3.998 2.765 1.00 0.00 H new ATOM 0 HG1 THR A 50 26.941 2.968 4.695 1.00 0.00 H new ATOM 0 HG21 THR A 50 29.307 2.774 4.233 1.00 0.00 H new ATOM 0 HG22 THR A 50 30.087 4.198 3.504 1.00 0.00 H new ATOM 0 HG23 THR A 50 29.551 4.248 5.200 1.00 0.00 H new ATOM 680 N GLY A 51 27.538 6.486 1.404 1.00 0.00 N ATOM 681 CA GLY A 51 27.930 6.936 0.038 1.00 0.00 C ATOM 682 C GLY A 51 28.092 5.718 -0.873 1.00 0.00 C ATOM 683 O GLY A 51 28.887 5.719 -1.792 1.00 0.00 O ATOM 0 H GLY A 51 26.546 6.280 1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 51 27.173 7.608 -0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 51 28.863 7.497 0.082 1.00 0.00 H new ATOM 687 N GLN A 52 27.347 4.676 -0.626 1.00 0.00 N ATOM 688 CA GLN A 52 27.459 3.460 -1.479 1.00 0.00 C ATOM 689 C GLN A 52 26.472 3.558 -2.645 1.00 0.00 C ATOM 690 O GLN A 52 25.383 4.078 -2.507 1.00 0.00 O ATOM 691 CB GLN A 52 27.137 2.218 -0.644 1.00 0.00 C ATOM 692 CG GLN A 52 27.871 2.300 0.695 1.00 0.00 C ATOM 693 CD GLN A 52 28.159 0.887 1.207 1.00 0.00 C ATOM 694 OE1 GLN A 52 28.980 0.183 0.651 1.00 0.00 O ATOM 695 NE2 GLN A 52 27.517 0.441 2.252 1.00 0.00 N ATOM 0 H GLN A 52 26.665 4.614 0.130 1.00 0.00 H new ATOM 0 HA GLN A 52 28.474 3.385 -1.868 1.00 0.00 H new ATOM 0 HB2 GLN A 52 26.062 2.147 -0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 52 27.437 1.318 -1.181 1.00 0.00 H new ATOM 0 HG2 GLN A 52 28.803 2.853 0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.267 2.845 1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 52 26.828 1.032 2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 52 27.704 -0.498 2.603 1.00 0.00 H new ATOM 704 N THR A 53 26.844 3.062 -3.793 1.00 0.00 N ATOM 705 CA THR A 53 25.927 3.126 -4.966 1.00 0.00 C ATOM 706 C THR A 53 24.897 2.001 -4.857 1.00 0.00 C ATOM 707 O THR A 53 25.243 0.854 -4.659 1.00 0.00 O ATOM 708 CB THR A 53 26.741 2.964 -6.256 1.00 0.00 C ATOM 709 OG1 THR A 53 27.400 4.186 -6.552 1.00 0.00 O ATOM 710 CG2 THR A 53 25.812 2.590 -7.415 1.00 0.00 C ATOM 0 H THR A 53 27.744 2.615 -3.970 1.00 0.00 H new ATOM 0 HA THR A 53 25.413 4.087 -4.985 1.00 0.00 H new ATOM 0 HB THR A 53 27.478 2.173 -6.120 1.00 0.00 H new ATOM 0 HG1 THR A 53 27.922 4.085 -7.375 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.397 2.477 -8.328 1.00 0.00 H new ATOM 0 HG22 THR A 53 25.307 1.651 -7.188 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.070 3.376 -7.555 1.00 0.00 H new ATOM 718 N GLY A 54 23.637 2.315 -4.998 1.00 0.00 N ATOM 719 CA GLY A 54 22.595 1.259 -4.899 1.00 0.00 C ATOM 720 C GLY A 54 21.563 1.428 -6.014 1.00 0.00 C ATOM 721 O GLY A 54 20.828 2.394 -6.055 1.00 0.00 O ATOM 0 H GLY A 54 23.287 3.256 -5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.057 0.274 -4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.103 1.313 -3.928 1.00 0.00 H new ATOM 725 N TYR A 55 21.504 0.491 -6.921 1.00 0.00 N ATOM 726 CA TYR A 55 20.522 0.589 -8.034 1.00 0.00 C ATOM 727 C TYR A 55 19.113 0.358 -7.487 1.00 0.00 C ATOM 728 O TYR A 55 18.718 -0.761 -7.222 1.00 0.00 O ATOM 729 CB TYR A 55 20.833 -0.483 -9.080 1.00 0.00 C ATOM 730 CG TYR A 55 21.389 0.175 -10.343 1.00 0.00 C ATOM 731 CD1 TYR A 55 20.538 0.623 -11.333 1.00 0.00 C ATOM 732 CD2 TYR A 55 22.749 0.323 -10.513 1.00 0.00 C ATOM 733 CE1 TYR A 55 21.039 1.211 -12.476 1.00 0.00 C ATOM 734 CE2 TYR A 55 23.252 0.910 -11.657 1.00 0.00 C ATOM 735 CZ TYR A 55 22.401 1.359 -12.646 1.00 0.00 C ATOM 736 OH TYR A 55 22.904 1.945 -13.790 1.00 0.00 O ATOM 0 H TYR A 55 22.096 -0.340 -6.938 1.00 0.00 H new ATOM 0 HA TYR A 55 20.585 1.578 -8.489 1.00 0.00 H new ATOM 0 HB2 TYR A 55 21.555 -1.195 -8.681 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.930 -1.045 -9.318 1.00 0.00 H new ATOM 0 HD1 TYR A 55 19.471 0.512 -11.212 1.00 0.00 H new ATOM 0 HD2 TYR A 55 23.426 -0.023 -9.746 1.00 0.00 H new ATOM 0 HE1 TYR A 55 20.362 1.558 -13.242 1.00 0.00 H new ATOM 0 HE2 TYR A 55 24.320 1.019 -11.779 1.00 0.00 H new ATOM 0 HH TYR A 55 23.883 1.969 -13.742 1.00 0.00 H new ATOM 746 N ILE A 56 18.346 1.400 -7.311 1.00 0.00 N ATOM 747 CA ILE A 56 16.966 1.216 -6.783 1.00 0.00 C ATOM 748 C ILE A 56 15.995 1.227 -7.967 1.00 0.00 C ATOM 749 O ILE A 56 16.164 1.998 -8.890 1.00 0.00 O ATOM 750 CB ILE A 56 16.626 2.347 -5.807 1.00 0.00 C ATOM 751 CG1 ILE A 56 16.506 3.666 -6.574 1.00 0.00 C ATOM 752 CG2 ILE A 56 17.744 2.468 -4.766 1.00 0.00 C ATOM 753 CD1 ILE A 56 15.072 3.842 -7.075 1.00 0.00 C ATOM 0 H ILE A 56 18.614 2.364 -7.509 1.00 0.00 H new ATOM 0 HA ILE A 56 16.889 0.269 -6.248 1.00 0.00 H new ATOM 0 HB ILE A 56 15.681 2.128 -5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 56 16.781 4.500 -5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 56 17.199 3.673 -7.415 1.00 0.00 H new ATOM 0 HG21 ILE A 56 17.507 3.272 -4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 56 17.836 1.529 -4.220 1.00 0.00 H new ATOM 0 HG23 ILE A 56 18.686 2.689 -5.268 1.00 0.00 H new ATOM 0 HD11 ILE A 56 14.990 4.782 -7.621 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.814 3.015 -7.736 1.00 0.00 H new ATOM 0 HD13 ILE A 56 14.389 3.855 -6.226 1.00 0.00 H new ATOM 765 N PRO A 57 15.010 0.368 -7.915 1.00 0.00 N ATOM 766 CA PRO A 57 14.008 0.271 -8.987 1.00 0.00 C ATOM 767 C PRO A 57 13.134 1.529 -9.002 1.00 0.00 C ATOM 768 O PRO A 57 12.942 2.174 -7.990 1.00 0.00 O ATOM 769 CB PRO A 57 13.178 -0.970 -8.635 1.00 0.00 C ATOM 770 CG PRO A 57 13.722 -1.532 -7.293 1.00 0.00 C ATOM 771 CD PRO A 57 14.811 -0.569 -6.795 1.00 0.00 C ATOM 0 HA PRO A 57 14.457 0.189 -9.977 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.123 -0.712 -8.543 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.255 -1.719 -9.423 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.920 -1.616 -6.560 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.131 -2.533 -7.434 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.497 -0.047 -5.891 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.731 -1.100 -6.553 1.00 0.00 H new ATOM 779 N SER A 58 12.608 1.883 -10.141 1.00 0.00 N ATOM 780 CA SER A 58 11.749 3.097 -10.220 1.00 0.00 C ATOM 781 C SER A 58 10.476 2.872 -9.404 1.00 0.00 C ATOM 782 O SER A 58 9.968 3.774 -8.767 1.00 0.00 O ATOM 783 CB SER A 58 11.380 3.364 -11.681 1.00 0.00 C ATOM 784 OG SER A 58 10.086 2.843 -11.946 1.00 0.00 O ATOM 0 H SER A 58 12.736 1.384 -11.021 1.00 0.00 H new ATOM 0 HA SER A 58 12.290 3.954 -9.820 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.401 4.435 -11.882 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.112 2.901 -12.342 1.00 0.00 H new ATOM 0 HG SER A 58 10.144 2.170 -12.656 1.00 0.00 H new ATOM 790 N ASN A 59 9.954 1.678 -9.418 1.00 0.00 N ATOM 791 CA ASN A 59 8.714 1.401 -8.641 1.00 0.00 C ATOM 792 C ASN A 59 9.061 1.272 -7.155 1.00 0.00 C ATOM 793 O ASN A 59 8.203 1.044 -6.327 1.00 0.00 O ATOM 794 CB ASN A 59 8.074 0.102 -9.140 1.00 0.00 C ATOM 795 CG ASN A 59 8.879 -1.098 -8.635 1.00 0.00 C ATOM 796 OD1 ASN A 59 8.496 -1.743 -7.679 1.00 0.00 O ATOM 797 ND2 ASN A 59 9.986 -1.430 -9.244 1.00 0.00 N ATOM 0 H ASN A 59 10.332 0.883 -9.933 1.00 0.00 H new ATOM 0 HA ASN A 59 8.009 2.221 -8.776 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.044 0.035 -8.789 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.041 0.097 -10.229 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.528 -2.230 -8.917 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.308 -0.889 -10.047 1.00 0.00 H new ATOM 804 N TYR A 60 10.313 1.417 -6.811 1.00 0.00 N ATOM 805 CA TYR A 60 10.704 1.301 -5.379 1.00 0.00 C ATOM 806 C TYR A 60 11.070 2.683 -4.834 1.00 0.00 C ATOM 807 O TYR A 60 11.493 2.816 -3.702 1.00 0.00 O ATOM 808 CB TYR A 60 11.900 0.355 -5.246 1.00 0.00 C ATOM 809 CG TYR A 60 11.395 -1.044 -4.887 1.00 0.00 C ATOM 810 CD1 TYR A 60 10.236 -1.532 -5.453 1.00 0.00 C ATOM 811 CD2 TYR A 60 12.088 -1.834 -3.993 1.00 0.00 C ATOM 812 CE1 TYR A 60 9.776 -2.791 -5.132 1.00 0.00 C ATOM 813 CE2 TYR A 60 11.626 -3.094 -3.671 1.00 0.00 C ATOM 814 CZ TYR A 60 10.467 -3.583 -4.238 1.00 0.00 C ATOM 815 OH TYR A 60 10.006 -4.843 -3.916 1.00 0.00 O ATOM 0 H TYR A 60 11.078 1.610 -7.458 1.00 0.00 H new ATOM 0 HA TYR A 60 9.867 0.900 -4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.461 0.324 -6.180 1.00 0.00 H new ATOM 0 HB3 TYR A 60 12.582 0.717 -4.477 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.684 -0.923 -6.154 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.997 -1.464 -3.543 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.867 -3.161 -5.584 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.177 -3.703 -2.969 1.00 0.00 H new ATOM 0 HH TYR A 60 10.616 -5.260 -3.273 1.00 0.00 H new ATOM 825 N VAL A 61 10.901 3.712 -5.628 1.00 0.00 N ATOM 826 CA VAL A 61 11.240 5.086 -5.156 1.00 0.00 C ATOM 827 C VAL A 61 10.107 6.050 -5.512 1.00 0.00 C ATOM 828 O VAL A 61 9.008 5.649 -5.840 1.00 0.00 O ATOM 829 CB VAL A 61 12.565 5.538 -5.800 1.00 0.00 C ATOM 830 CG1 VAL A 61 12.312 6.398 -7.046 1.00 0.00 C ATOM 831 CG2 VAL A 61 13.375 6.340 -4.782 1.00 0.00 C ATOM 0 H VAL A 61 10.543 3.658 -6.582 1.00 0.00 H new ATOM 0 HA VAL A 61 11.361 5.083 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 61 13.119 4.651 -6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.265 6.702 -7.478 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.749 5.820 -7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.742 7.284 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.313 6.661 -5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.804 7.215 -4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.586 5.717 -3.913 1.00 0.00 H new ATOM 841 N ALA A 62 10.380 7.321 -5.450 1.00 0.00 N ATOM 842 CA ALA A 62 9.338 8.335 -5.780 1.00 0.00 C ATOM 843 C ALA A 62 9.755 9.694 -5.207 1.00 0.00 C ATOM 844 O ALA A 62 10.360 9.760 -4.155 1.00 0.00 O ATOM 845 CB ALA A 62 8.000 7.912 -5.168 1.00 0.00 C ATOM 0 H ALA A 62 11.286 7.706 -5.183 1.00 0.00 H new ATOM 0 HA ALA A 62 9.233 8.411 -6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.239 8.654 -5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.705 6.944 -5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.103 7.837 -4.085 1.00 0.00 H new ATOM 851 N PRO A 63 9.420 10.742 -5.919 1.00 0.00 N ATOM 852 CA PRO A 63 9.751 12.115 -5.498 1.00 0.00 C ATOM 853 C PRO A 63 9.074 12.439 -4.164 1.00 0.00 C ATOM 854 O PRO A 63 7.939 12.074 -3.929 1.00 0.00 O ATOM 855 CB PRO A 63 9.203 13.014 -6.614 1.00 0.00 C ATOM 856 CG PRO A 63 8.535 12.098 -7.671 1.00 0.00 C ATOM 857 CD PRO A 63 8.689 10.643 -7.196 1.00 0.00 C ATOM 0 HA PRO A 63 10.822 12.255 -5.350 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.481 13.725 -6.213 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.006 13.596 -7.065 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.481 12.353 -7.786 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.004 12.234 -8.645 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.718 10.166 -7.061 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.240 10.045 -7.922 1.00 0.00 H new ATOM 865 N SER A 64 9.760 13.121 -3.289 1.00 0.00 N ATOM 866 CA SER A 64 9.155 13.467 -1.972 1.00 0.00 C ATOM 867 C SER A 64 8.275 14.709 -2.127 1.00 0.00 C ATOM 868 O SER A 64 8.797 15.734 -2.534 1.00 0.00 O ATOM 869 CB SER A 64 10.266 13.752 -0.959 1.00 0.00 C ATOM 870 OG SER A 64 9.797 14.675 0.012 1.00 0.00 O ATOM 871 OXT SER A 64 7.093 14.613 -1.837 1.00 0.00 O ATOM 0 H SER A 64 10.714 13.454 -3.429 1.00 0.00 H new ATOM 0 HA SER A 64 8.548 12.633 -1.620 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.578 12.826 -0.475 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.141 14.156 -1.468 1.00 0.00 H new ATOM 0 HG SER A 64 10.508 14.856 0.661 1.00 0.00 H new TER 877 SER A 64