USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 852 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 93 GLN : amide:sc= -0.439 X(o=-0.48,f=-0.96) USER MOD Set 1.2: A 96 GLN : amide:sc= -0.0439 K(o=-0.48,f=-2.7!) USER MOD Set 2.1: A 77 SER OG : rot 180:sc= -0.385 USER MOD Set 2.2: A 79 GLN : amide:sc= -0.582 X(o=-0.97,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 156:sc= 0.00132 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -90:sc= 0.755 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.3) USER MOD Single : A 16 GLN : amide:sc= -1.74 K(o=-1.7,f=-3.9!) USER MOD Single : A 21 THR OG1 : rot -46:sc= 0.2! USER MOD Single : A 25 SER OG : rot 170:sc= -1.58 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 27 HIS : no HD1:sc= -0.0511 K(o=-0.051,f=-0.68) USER MOD Single : A 30 GLN : amide:sc= -3.11! K(o=-3.1!,f=-0.75) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -9.34! C(o=-9.3!,f=-6.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 51 ASN : amide:sc= -0.0936 X(o=-0.094,f=0) USER MOD Single : A 55 GLN : amide:sc= -15.2! C(o=-15!,f=-11!) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 157:sc= 0.147 (180deg=0.0125) USER MOD Single : A 82 SER OG : rot 64:sc= -2.25! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A 89 GLN : amide:sc= -2.64! K(o=-2.6!,f=-1.2) USER MOD Single : A 92 ASN : amide:sc= -1.72! K(o=-1.7!,f=-0.036) USER MOD Single : A 100 GLN : amide:sc= -2.42! C(o=-2.4!,f=-1.5!) USER MOD Single : A 101 GLN : amide:sc=-0.000436 K(o=-0.00044,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.527 9.297 31.730 1.00 0.00 N ATOM 2 CA GLY A 1 -15.038 8.122 30.952 1.00 0.00 C ATOM 3 C GLY A 1 -13.897 7.446 31.705 1.00 0.00 C ATOM 4 O GLY A 1 -12.993 8.113 32.209 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.985 9.973 31.086 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.213 8.979 32.444 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.724 9.759 32.203 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.852 7.414 30.794 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.698 8.442 29.967 1.00 0.00 H new ATOM 10 N SER A 2 -13.938 6.117 31.773 1.00 0.00 N ATOM 11 CA SER A 2 -12.893 5.369 32.462 1.00 0.00 C ATOM 12 C SER A 2 -11.694 5.167 31.540 1.00 0.00 C ATOM 13 O SER A 2 -10.683 4.587 31.931 1.00 0.00 O ATOM 14 CB SER A 2 -13.430 4.009 32.915 1.00 0.00 C ATOM 15 OG SER A 2 -14.240 4.186 34.069 1.00 0.00 O ATOM 0 H SER A 2 -14.675 5.543 31.364 1.00 0.00 H new ATOM 0 HA SER A 2 -12.577 5.938 33.337 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.011 3.550 32.115 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.603 3.334 33.137 1.00 0.00 H new ATOM 0 HG SER A 2 -14.587 3.317 34.361 1.00 0.00 H new ATOM 21 N SER A 3 -11.817 5.665 30.314 1.00 0.00 N ATOM 22 CA SER A 3 -10.745 5.552 29.332 1.00 0.00 C ATOM 23 C SER A 3 -11.164 6.226 28.030 1.00 0.00 C ATOM 24 O SER A 3 -11.939 5.669 27.251 1.00 0.00 O ATOM 25 CB SER A 3 -10.414 4.081 29.074 1.00 0.00 C ATOM 26 OG SER A 3 -9.164 3.995 28.400 1.00 0.00 O ATOM 0 H SER A 3 -12.648 6.151 29.977 1.00 0.00 H new ATOM 0 HA SER A 3 -9.856 6.047 29.723 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.371 3.535 30.016 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.197 3.619 28.473 1.00 0.00 H new ATOM 0 HG SER A 3 -9.312 4.025 27.432 1.00 0.00 H new ATOM 32 N LEU A 4 -10.658 7.433 27.808 1.00 0.00 N ATOM 33 CA LEU A 4 -10.999 8.186 26.606 1.00 0.00 C ATOM 34 C LEU A 4 -10.597 7.426 25.345 1.00 0.00 C ATOM 35 O LEU A 4 -11.341 7.401 24.363 1.00 0.00 O ATOM 36 CB LEU A 4 -10.296 9.542 26.633 1.00 0.00 C ATOM 37 CG LEU A 4 -10.743 10.371 25.431 1.00 0.00 C ATOM 38 CD1 LEU A 4 -12.208 10.778 25.607 1.00 0.00 C ATOM 39 CD2 LEU A 4 -9.873 11.626 25.329 1.00 0.00 C ATOM 0 H LEU A 4 -10.014 7.909 28.440 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.079 8.329 26.589 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.532 10.067 27.559 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.215 9.404 26.611 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.639 9.780 24.521 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.527 11.370 24.749 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.827 9.884 25.682 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.314 11.370 26.516 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.190 12.220 24.472 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.979 12.217 26.239 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.830 11.336 25.204 1.00 0.00 H new ATOM 51 N SER A 5 -9.421 6.808 25.373 1.00 0.00 N ATOM 52 CA SER A 5 -8.943 6.055 24.219 1.00 0.00 C ATOM 53 C SER A 5 -9.184 4.559 24.417 1.00 0.00 C ATOM 54 O SER A 5 -9.046 4.044 25.526 1.00 0.00 O ATOM 55 CB SER A 5 -7.450 6.309 24.010 1.00 0.00 C ATOM 56 OG SER A 5 -7.151 7.655 24.353 1.00 0.00 O ATOM 0 H SER A 5 -8.787 6.813 26.172 1.00 0.00 H new ATOM 0 HA SER A 5 -9.494 6.388 23.339 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.864 5.626 24.625 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.178 6.117 22.972 1.00 0.00 H new ATOM 0 HG SER A 5 -6.194 7.821 24.222 1.00 0.00 H new ATOM 62 N PRO A 6 -9.538 3.859 23.368 1.00 0.00 N ATOM 63 CA PRO A 6 -9.799 2.396 23.441 1.00 0.00 C ATOM 64 C PRO A 6 -8.639 1.648 24.090 1.00 0.00 C ATOM 65 O PRO A 6 -7.473 1.964 23.853 1.00 0.00 O ATOM 66 CB PRO A 6 -9.975 1.947 21.986 1.00 0.00 C ATOM 67 CG PRO A 6 -9.802 3.154 21.117 1.00 0.00 C ATOM 68 CD PRO A 6 -9.731 4.389 22.015 1.00 0.00 C ATOM 0 HA PRO A 6 -10.676 2.183 24.053 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.242 1.182 21.730 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.961 1.506 21.838 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.893 3.065 20.521 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.634 3.241 20.418 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.908 5.042 21.725 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.645 4.979 21.948 1.00 0.00 H new ATOM 76 N GLN A 7 -8.971 0.653 24.904 1.00 0.00 N ATOM 77 CA GLN A 7 -7.953 -0.143 25.577 1.00 0.00 C ATOM 78 C GLN A 7 -7.803 -1.495 24.890 1.00 0.00 C ATOM 79 O GLN A 7 -6.853 -2.234 25.151 1.00 0.00 O ATOM 80 CB GLN A 7 -8.343 -0.357 27.039 1.00 0.00 C ATOM 81 CG GLN A 7 -8.424 0.992 27.752 1.00 0.00 C ATOM 82 CD GLN A 7 -8.838 0.779 29.202 1.00 0.00 C ATOM 83 OE1 GLN A 7 -7.989 0.729 30.092 1.00 0.00 O ATOM 84 NE2 GLN A 7 -10.102 0.640 29.490 1.00 0.00 N ATOM 0 H GLN A 7 -9.931 0.380 25.113 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.004 0.391 25.528 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.303 -0.869 27.098 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.610 -0.996 27.531 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.458 1.496 27.709 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.143 1.638 27.249 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.802 0.682 28.749 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.391 0.489 30.456 1.00 0.00 H new ATOM 93 N ALA A 8 -8.752 -1.815 24.014 1.00 0.00 N ATOM 94 CA ALA A 8 -8.723 -3.084 23.298 1.00 0.00 C ATOM 95 C ALA A 8 -8.601 -2.860 21.795 1.00 0.00 C ATOM 96 O ALA A 8 -9.319 -3.478 21.008 1.00 0.00 O ATOM 97 CB ALA A 8 -9.996 -3.881 23.592 1.00 0.00 C ATOM 0 H ALA A 8 -9.545 -1.216 23.785 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.853 -3.644 23.639 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.965 -4.828 23.053 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.065 -4.075 24.662 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.866 -3.308 23.271 1.00 0.00 H new ATOM 103 N LEU A 9 -7.689 -1.980 21.400 1.00 0.00 N ATOM 104 CA LEU A 9 -7.489 -1.699 19.986 1.00 0.00 C ATOM 105 C LEU A 9 -6.587 -2.758 19.366 1.00 0.00 C ATOM 106 O LEU A 9 -5.560 -3.125 19.935 1.00 0.00 O ATOM 107 CB LEU A 9 -6.858 -0.316 19.803 1.00 0.00 C ATOM 108 CG LEU A 9 -5.770 -0.106 20.855 1.00 0.00 C ATOM 109 CD1 LEU A 9 -4.557 0.567 20.208 1.00 0.00 C ATOM 110 CD2 LEU A 9 -6.312 0.785 21.975 1.00 0.00 C ATOM 0 H LEU A 9 -7.083 -1.455 22.031 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.459 -1.716 19.488 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.433 -0.228 18.803 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.620 0.458 19.894 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.472 -1.070 21.268 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.781 0.717 20.958 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.172 -0.067 19.409 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.853 1.531 19.795 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.537 0.936 22.727 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.609 1.749 21.562 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.176 0.306 22.435 1.00 0.00 H new ATOM 122 N ALA A 10 -6.985 -3.248 18.198 1.00 0.00 N ATOM 123 CA ALA A 10 -6.210 -4.270 17.509 1.00 0.00 C ATOM 124 C ALA A 10 -4.861 -3.714 17.071 1.00 0.00 C ATOM 125 O ALA A 10 -4.522 -2.571 17.376 1.00 0.00 O ATOM 126 CB ALA A 10 -6.977 -4.765 16.283 1.00 0.00 C ATOM 0 H ALA A 10 -7.833 -2.956 17.712 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.044 -5.099 18.197 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.392 -5.529 15.772 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.931 -5.188 16.597 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.156 -3.931 15.604 1.00 0.00 H new ATOM 132 N GLN A 11 -4.094 -4.528 16.353 1.00 0.00 N ATOM 133 CA GLN A 11 -2.786 -4.099 15.882 1.00 0.00 C ATOM 134 C GLN A 11 -2.921 -3.357 14.549 1.00 0.00 C ATOM 135 O GLN A 11 -3.507 -3.882 13.602 1.00 0.00 O ATOM 136 CB GLN A 11 -1.876 -5.314 15.693 1.00 0.00 C ATOM 137 CG GLN A 11 -1.607 -5.969 17.050 1.00 0.00 C ATOM 138 CD GLN A 11 -0.940 -4.973 17.991 1.00 0.00 C ATOM 139 OE1 GLN A 11 -1.560 -4.511 18.949 1.00 0.00 O ATOM 140 NE2 GLN A 11 0.295 -4.614 17.776 1.00 0.00 N ATOM 0 H GLN A 11 -4.353 -5.478 16.088 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.352 -3.429 16.624 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.344 -6.031 15.018 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.936 -5.009 15.232 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.543 -6.321 17.484 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.968 -6.842 16.920 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.807 -4.998 16.982 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.749 -3.949 18.402 1.00 0.00 H new ATOM 149 N PRO A 12 -2.396 -2.158 14.451 1.00 0.00 N ATOM 150 CA PRO A 12 -2.474 -1.368 13.194 1.00 0.00 C ATOM 151 C PRO A 12 -1.878 -2.134 12.018 1.00 0.00 C ATOM 152 O PRO A 12 -1.049 -3.024 12.204 1.00 0.00 O ATOM 153 CB PRO A 12 -1.678 -0.087 13.466 1.00 0.00 C ATOM 154 CG PRO A 12 -1.158 -0.164 14.869 1.00 0.00 C ATOM 155 CD PRO A 12 -1.682 -1.446 15.518 1.00 0.00 C ATOM 0 HA PRO A 12 -3.508 -1.155 12.924 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.855 0.010 12.758 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.312 0.791 13.340 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.068 -0.159 14.869 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.480 0.707 15.440 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.865 -2.049 15.914 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.346 -1.221 16.353 1.00 0.00 H new ATOM 163 N LEU A 13 -2.304 -1.787 10.809 1.00 0.00 N ATOM 164 CA LEU A 13 -1.801 -2.456 9.622 1.00 0.00 C ATOM 165 C LEU A 13 -0.434 -1.908 9.259 1.00 0.00 C ATOM 166 O LEU A 13 -0.241 -0.695 9.185 1.00 0.00 O ATOM 167 CB LEU A 13 -2.762 -2.229 8.453 1.00 0.00 C ATOM 168 CG LEU A 13 -2.475 -3.235 7.335 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.571 -3.140 6.276 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.123 -2.920 6.693 1.00 0.00 C ATOM 0 H LEU A 13 -2.990 -1.054 10.629 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.721 -3.524 9.827 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.792 -2.335 8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.654 -1.212 8.075 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.452 -4.242 7.752 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.369 -3.855 5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.536 -3.365 6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.591 -2.132 5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.922 -3.638 5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.144 -1.913 6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.338 -2.984 7.447 1.00 0.00 H new ATOM 182 N LEU A 14 0.514 -2.803 9.021 1.00 0.00 N ATOM 183 CA LEU A 14 1.845 -2.383 8.656 1.00 0.00 C ATOM 184 C LEU A 14 1.986 -2.413 7.142 1.00 0.00 C ATOM 185 O LEU A 14 1.890 -3.468 6.510 1.00 0.00 O ATOM 186 CB LEU A 14 2.862 -3.304 9.323 1.00 0.00 C ATOM 187 CG LEU A 14 2.643 -3.283 10.837 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.807 -3.988 11.536 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.550 -1.833 11.318 1.00 0.00 C ATOM 0 H LEU A 14 0.382 -3.813 9.075 1.00 0.00 H new ATOM 0 HA LEU A 14 2.027 -1.364 8.996 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.755 -4.320 8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.875 -2.979 9.086 1.00 0.00 H new ATOM 0 HG LEU A 14 1.716 -3.803 11.077 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.648 -3.971 12.614 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.865 -5.021 11.194 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.739 -3.474 11.299 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.394 -1.817 12.397 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.475 -1.310 11.077 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.714 -1.338 10.823 1.00 0.00 H new ATOM 201 N LEU A 15 2.177 -1.234 6.571 1.00 0.00 N ATOM 202 CA LEU A 15 2.294 -1.094 5.131 1.00 0.00 C ATOM 203 C LEU A 15 3.602 -0.390 4.777 1.00 0.00 C ATOM 204 O LEU A 15 3.936 0.638 5.367 1.00 0.00 O ATOM 205 CB LEU A 15 1.090 -0.279 4.636 1.00 0.00 C ATOM 206 CG LEU A 15 0.858 -0.505 3.144 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.069 -0.002 2.367 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.648 -2.000 2.882 1.00 0.00 C ATOM 0 H LEU A 15 2.254 -0.358 7.087 1.00 0.00 H new ATOM 0 HA LEU A 15 2.303 -2.073 4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.198 -0.564 5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.260 0.781 4.826 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.028 0.040 2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.909 -0.161 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.208 1.062 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.958 -0.547 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.482 -2.163 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.532 -2.553 3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.220 -2.349 3.442 1.00 0.00 H new ATOM 220 N GLN A 16 4.346 -0.943 3.819 1.00 0.00 N ATOM 221 CA GLN A 16 5.616 -0.338 3.419 1.00 0.00 C ATOM 222 C GLN A 16 5.694 -0.154 1.911 1.00 0.00 C ATOM 223 O GLN A 16 5.028 -0.855 1.150 1.00 0.00 O ATOM 224 CB GLN A 16 6.789 -1.200 3.891 1.00 0.00 C ATOM 225 CG GLN A 16 7.000 -0.991 5.388 1.00 0.00 C ATOM 226 CD GLN A 16 8.083 -1.933 5.901 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.476 -2.867 5.204 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.589 -1.742 7.089 1.00 0.00 N ATOM 0 H GLN A 16 4.097 -1.793 3.314 1.00 0.00 H new ATOM 0 HA GLN A 16 5.674 0.644 3.889 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.589 -2.251 3.684 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.694 -0.934 3.344 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.285 0.043 5.582 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.068 -1.171 5.923 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.261 -0.966 7.664 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.313 -2.368 7.442 1.00 0.00 H new ATOM 237 N LEU A 17 6.514 0.805 1.492 1.00 0.00 N ATOM 238 CA LEU A 17 6.683 1.094 0.076 1.00 0.00 C ATOM 239 C LEU A 17 8.154 1.326 -0.257 1.00 0.00 C ATOM 240 O LEU A 17 8.843 2.090 0.420 1.00 0.00 O ATOM 241 CB LEU A 17 5.859 2.329 -0.298 1.00 0.00 C ATOM 242 CG LEU A 17 6.029 2.647 -1.788 1.00 0.00 C ATOM 243 CD1 LEU A 17 5.178 1.685 -2.618 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.581 4.088 -2.052 1.00 0.00 C ATOM 0 H LEU A 17 7.070 1.393 2.113 1.00 0.00 H new ATOM 0 HA LEU A 17 6.334 0.237 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.807 2.155 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.176 3.182 0.302 1.00 0.00 H new ATOM 0 HG LEU A 17 7.076 2.533 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.300 1.912 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.497 0.660 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.129 1.796 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.700 4.318 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.534 4.200 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.190 4.772 -1.461 1.00 0.00 H new ATOM 256 N PHE A 18 8.623 0.666 -1.311 1.00 0.00 N ATOM 257 CA PHE A 18 10.011 0.809 -1.736 1.00 0.00 C ATOM 258 C PHE A 18 10.114 1.855 -2.835 1.00 0.00 C ATOM 259 O PHE A 18 9.407 1.782 -3.839 1.00 0.00 O ATOM 260 CB PHE A 18 10.541 -0.526 -2.264 1.00 0.00 C ATOM 261 CG PHE A 18 10.739 -1.487 -1.118 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.671 -2.268 -0.665 1.00 0.00 C ATOM 263 CD2 PHE A 18 11.996 -1.598 -0.516 1.00 0.00 C ATOM 264 CE1 PHE A 18 9.861 -3.163 0.394 1.00 0.00 C ATOM 265 CE2 PHE A 18 12.187 -2.490 0.543 1.00 0.00 C ATOM 266 CZ PHE A 18 11.119 -3.274 0.997 1.00 0.00 C ATOM 0 H PHE A 18 8.067 0.031 -1.883 1.00 0.00 H new ATOM 0 HA PHE A 18 10.605 1.121 -0.877 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.840 -0.946 -2.986 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.484 -0.372 -2.788 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.701 -2.181 -1.132 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.819 -0.995 -0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.038 -3.767 0.745 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.157 -2.575 1.011 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.266 -3.965 1.814 1.00 0.00 H new ATOM 276 N VAL A 19 10.986 2.834 -2.636 1.00 0.00 N ATOM 277 CA VAL A 19 11.145 3.890 -3.626 1.00 0.00 C ATOM 278 C VAL A 19 12.612 4.139 -3.965 1.00 0.00 C ATOM 279 O VAL A 19 13.518 3.855 -3.168 1.00 0.00 O ATOM 280 CB VAL A 19 10.512 5.180 -3.109 1.00 0.00 C ATOM 281 CG1 VAL A 19 9.051 4.917 -2.742 1.00 0.00 C ATOM 282 CG2 VAL A 19 11.268 5.658 -1.868 1.00 0.00 C ATOM 0 H VAL A 19 11.584 2.919 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 19 10.644 3.566 -4.538 1.00 0.00 H new ATOM 0 HB VAL A 19 10.563 5.945 -3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.597 5.837 -2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.510 4.574 -3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.003 4.152 -1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.816 6.579 -1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.217 4.893 -1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.311 5.844 -2.126 1.00 0.00 H new ATOM 292 N ASP A 20 12.821 4.688 -5.162 1.00 0.00 N ATOM 293 CA ASP A 20 14.156 5.013 -5.648 1.00 0.00 C ATOM 294 C ASP A 20 14.357 6.526 -5.638 1.00 0.00 C ATOM 295 O ASP A 20 15.282 7.045 -6.263 1.00 0.00 O ATOM 296 CB ASP A 20 14.342 4.483 -7.072 1.00 0.00 C ATOM 297 CG ASP A 20 13.389 5.198 -8.023 1.00 0.00 C ATOM 298 OD1 ASP A 20 12.484 5.856 -7.537 1.00 0.00 O ATOM 299 OD2 ASP A 20 13.578 5.076 -9.222 1.00 0.00 O ATOM 0 H ASP A 20 12.073 4.918 -5.816 1.00 0.00 H new ATOM 0 HA ASP A 20 14.891 4.545 -4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.372 4.635 -7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.156 3.409 -7.096 1.00 0.00 H new ATOM 304 N THR A 21 13.471 7.224 -4.928 1.00 0.00 N ATOM 305 CA THR A 21 13.529 8.683 -4.833 1.00 0.00 C ATOM 306 C THR A 21 13.009 9.343 -6.112 1.00 0.00 C ATOM 307 O THR A 21 13.059 10.564 -6.251 1.00 0.00 O ATOM 308 CB THR A 21 14.968 9.137 -4.579 1.00 0.00 C ATOM 309 OG1 THR A 21 15.685 9.151 -5.804 1.00 0.00 O ATOM 310 CG2 THR A 21 15.642 8.172 -3.603 1.00 0.00 C ATOM 0 H THR A 21 12.702 6.801 -4.408 1.00 0.00 H new ATOM 0 HA THR A 21 12.894 8.988 -4.001 1.00 0.00 H new ATOM 0 HB THR A 21 14.962 10.140 -4.152 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.513 8.319 -6.293 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.667 8.495 -3.422 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.092 8.164 -2.662 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.648 7.169 -4.029 1.00 0.00 H new ATOM 318 N ARG A 22 12.503 8.532 -7.035 1.00 0.00 N ATOM 319 CA ARG A 22 11.967 9.053 -8.291 1.00 0.00 C ATOM 320 C ARG A 22 10.603 9.710 -8.062 1.00 0.00 C ATOM 321 O ARG A 22 9.841 9.284 -7.193 1.00 0.00 O ATOM 322 CB ARG A 22 11.816 7.918 -9.302 1.00 0.00 C ATOM 323 CG ARG A 22 10.531 7.148 -9.002 1.00 0.00 C ATOM 324 CD ARG A 22 10.521 5.841 -9.791 1.00 0.00 C ATOM 325 NE ARG A 22 10.565 6.113 -11.223 1.00 0.00 N ATOM 326 CZ ARG A 22 10.585 5.122 -12.106 1.00 0.00 C ATOM 327 NH1 ARG A 22 9.934 4.018 -11.857 1.00 0.00 N ATOM 328 NH2 ARG A 22 11.255 5.248 -13.218 1.00 0.00 N ATOM 0 H ARG A 22 12.452 7.518 -6.940 1.00 0.00 H new ATOM 0 HA ARG A 22 12.661 9.800 -8.677 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.786 8.319 -10.315 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.676 7.250 -9.248 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.460 6.940 -7.934 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.663 7.752 -9.268 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.376 5.229 -9.504 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.624 5.270 -9.550 1.00 0.00 H new ATOM 0 HE ARG A 22 10.581 7.079 -11.551 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.412 3.919 -10.986 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.947 3.255 -12.533 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.765 6.110 -13.411 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.269 4.485 -13.895 1.00 0.00 H new ATOM 342 N PRO A 23 10.291 10.732 -8.814 1.00 0.00 N ATOM 343 CA PRO A 23 8.998 11.461 -8.686 1.00 0.00 C ATOM 344 C PRO A 23 7.796 10.523 -8.752 1.00 0.00 C ATOM 345 O PRO A 23 6.798 10.734 -8.063 1.00 0.00 O ATOM 346 CB PRO A 23 8.965 12.433 -9.871 1.00 0.00 C ATOM 347 CG PRO A 23 10.218 12.223 -10.659 1.00 0.00 C ATOM 348 CD PRO A 23 11.144 11.305 -9.858 1.00 0.00 C ATOM 0 HA PRO A 23 8.935 11.964 -7.721 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.087 12.252 -10.491 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.901 13.463 -9.520 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.987 11.778 -11.627 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.707 13.177 -10.855 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.573 10.527 -10.490 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.977 11.861 -9.427 1.00 0.00 H new ATOM 356 N LEU A 24 7.889 9.488 -9.588 1.00 0.00 N ATOM 357 CA LEU A 24 6.785 8.543 -9.722 1.00 0.00 C ATOM 358 C LEU A 24 6.439 7.955 -8.360 1.00 0.00 C ATOM 359 O LEU A 24 5.266 7.819 -8.012 1.00 0.00 O ATOM 360 CB LEU A 24 7.157 7.416 -10.686 1.00 0.00 C ATOM 361 CG LEU A 24 5.946 6.506 -10.891 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.022 7.109 -11.951 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.421 5.128 -11.354 1.00 0.00 C ATOM 0 H LEU A 24 8.701 9.287 -10.171 1.00 0.00 H new ATOM 0 HA LEU A 24 5.921 9.075 -10.120 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.481 7.831 -11.641 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.994 6.843 -10.288 1.00 0.00 H new ATOM 0 HG LEU A 24 5.402 6.410 -9.951 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.160 6.458 -12.095 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.684 8.092 -11.622 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.563 7.207 -12.892 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.559 4.477 -11.501 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.965 5.227 -12.293 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.077 4.696 -10.598 1.00 0.00 H new ATOM 375 N SER A 25 7.469 7.626 -7.584 1.00 0.00 N ATOM 376 CA SER A 25 7.256 7.077 -6.252 1.00 0.00 C ATOM 377 C SER A 25 6.531 8.105 -5.401 1.00 0.00 C ATOM 378 O SER A 25 5.556 7.792 -4.720 1.00 0.00 O ATOM 379 CB SER A 25 8.596 6.738 -5.599 1.00 0.00 C ATOM 380 OG SER A 25 9.220 5.678 -6.310 1.00 0.00 O ATOM 0 H SER A 25 8.448 7.729 -7.852 1.00 0.00 H new ATOM 0 HA SER A 25 6.660 6.168 -6.332 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.242 7.616 -5.595 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.442 6.450 -4.559 1.00 0.00 H new ATOM 0 HG SER A 25 10.141 5.570 -5.994 1.00 0.00 H new ATOM 386 N GLN A 26 7.000 9.345 -5.479 1.00 0.00 N ATOM 387 CA GLN A 26 6.376 10.434 -4.743 1.00 0.00 C ATOM 388 C GLN A 26 4.963 10.615 -5.267 1.00 0.00 C ATOM 389 O GLN A 26 4.036 10.934 -4.526 1.00 0.00 O ATOM 390 CB GLN A 26 7.181 11.720 -4.945 1.00 0.00 C ATOM 391 CG GLN A 26 8.561 11.556 -4.308 1.00 0.00 C ATOM 392 CD GLN A 26 9.428 12.772 -4.614 1.00 0.00 C ATOM 393 OE1 GLN A 26 8.936 13.770 -5.140 1.00 0.00 O ATOM 394 NE2 GLN A 26 10.700 12.743 -4.324 1.00 0.00 N ATOM 0 H GLN A 26 7.806 9.619 -6.041 1.00 0.00 H new ATOM 0 HA GLN A 26 6.350 10.205 -3.678 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.282 11.937 -6.009 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.658 12.564 -4.496 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.460 11.434 -3.230 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.040 10.653 -4.687 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.105 11.915 -3.888 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.289 13.549 -4.533 1.00 0.00 H new ATOM 403 N HIS A 27 4.826 10.383 -6.563 1.00 0.00 N ATOM 404 CA HIS A 27 3.545 10.490 -7.238 1.00 0.00 C ATOM 405 C HIS A 27 2.605 9.421 -6.688 1.00 0.00 C ATOM 406 O HIS A 27 1.514 9.713 -6.190 1.00 0.00 O ATOM 407 CB HIS A 27 3.786 10.249 -8.728 1.00 0.00 C ATOM 408 CG HIS A 27 2.853 11.066 -9.569 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.597 11.463 -9.144 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.011 11.585 -10.826 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.050 12.193 -10.135 1.00 0.00 C ATOM 412 NE2 HIS A 27 1.871 12.297 -11.186 1.00 0.00 N ATOM 0 H HIS A 27 5.598 10.116 -7.174 1.00 0.00 H new ATOM 0 HA HIS A 27 3.098 11.472 -7.080 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.817 10.499 -8.977 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.651 9.191 -8.954 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.888 11.461 -11.444 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.068 12.640 -10.087 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.699 12.791 -12.062 1.00 0.00 H new ATOM 420 N ILE A 28 3.065 8.175 -6.767 1.00 0.00 N ATOM 421 CA ILE A 28 2.300 7.042 -6.266 1.00 0.00 C ATOM 422 C ILE A 28 2.172 7.112 -4.746 1.00 0.00 C ATOM 423 O ILE A 28 1.146 6.726 -4.187 1.00 0.00 O ATOM 424 CB ILE A 28 2.979 5.733 -6.686 1.00 0.00 C ATOM 425 CG1 ILE A 28 2.941 5.617 -8.213 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.252 4.532 -6.067 1.00 0.00 C ATOM 427 CD1 ILE A 28 3.665 4.342 -8.653 1.00 0.00 C ATOM 0 H ILE A 28 3.966 7.926 -7.175 1.00 0.00 H new ATOM 0 HA ILE A 28 1.298 7.076 -6.694 1.00 0.00 H new ATOM 0 HB ILE A 28 4.011 5.738 -6.336 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.908 5.598 -8.560 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.413 6.489 -8.665 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.746 3.610 -6.374 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.277 4.612 -4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.216 4.519 -6.406 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.636 4.263 -9.740 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.702 4.379 -8.320 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.173 3.474 -8.213 1.00 0.00 H new ATOM 439 N VAL A 29 3.216 7.604 -4.080 1.00 0.00 N ATOM 440 CA VAL A 29 3.183 7.710 -2.627 1.00 0.00 C ATOM 441 C VAL A 29 1.981 8.535 -2.197 1.00 0.00 C ATOM 442 O VAL A 29 1.240 8.145 -1.296 1.00 0.00 O ATOM 443 CB VAL A 29 4.465 8.360 -2.109 1.00 0.00 C ATOM 444 CG1 VAL A 29 4.300 8.700 -0.628 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.636 7.390 -2.276 1.00 0.00 C ATOM 0 H VAL A 29 4.079 7.929 -4.516 1.00 0.00 H new ATOM 0 HA VAL A 29 3.104 6.707 -2.207 1.00 0.00 H new ATOM 0 HB VAL A 29 4.662 9.270 -2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.214 9.164 -0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.466 9.391 -0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.102 7.788 -0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.550 7.855 -1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.438 6.480 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.756 7.143 -3.331 1.00 0.00 H new ATOM 455 N GLN A 30 1.779 9.667 -2.862 1.00 0.00 N ATOM 456 CA GLN A 30 0.641 10.514 -2.540 1.00 0.00 C ATOM 457 C GLN A 30 -0.637 9.722 -2.744 1.00 0.00 C ATOM 458 O GLN A 30 -1.554 9.777 -1.925 1.00 0.00 O ATOM 459 CB GLN A 30 0.615 11.755 -3.432 1.00 0.00 C ATOM 460 CG GLN A 30 1.828 12.631 -3.133 1.00 0.00 C ATOM 461 CD GLN A 30 1.677 13.283 -1.763 1.00 0.00 C ATOM 462 OE1 GLN A 30 2.568 14.008 -1.320 1.00 0.00 O ATOM 463 NE2 GLN A 30 0.596 13.070 -1.064 1.00 0.00 N ATOM 0 H GLN A 30 2.376 10.013 -3.613 1.00 0.00 H new ATOM 0 HA GLN A 30 0.726 10.837 -1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.618 11.460 -4.481 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.303 12.318 -3.261 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.737 12.029 -3.160 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.931 13.398 -3.900 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.140 12.469 -1.434 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.487 13.505 -0.148 1.00 0.00 H new ATOM 472 N ARG A 31 -0.679 8.961 -3.834 1.00 0.00 N ATOM 473 CA ARG A 31 -1.844 8.142 -4.117 1.00 0.00 C ATOM 474 C ARG A 31 -2.024 7.117 -3.007 1.00 0.00 C ATOM 475 O ARG A 31 -3.141 6.847 -2.571 1.00 0.00 O ATOM 476 CB ARG A 31 -1.685 7.450 -5.470 1.00 0.00 C ATOM 477 CG ARG A 31 -1.732 8.512 -6.571 1.00 0.00 C ATOM 478 CD ARG A 31 -1.767 7.842 -7.943 1.00 0.00 C ATOM 479 NE ARG A 31 -0.528 7.115 -8.186 1.00 0.00 N ATOM 480 CZ ARG A 31 0.154 7.283 -9.314 1.00 0.00 C ATOM 481 NH1 ARG A 31 0.695 8.440 -9.587 1.00 0.00 N ATOM 482 NH2 ARG A 31 0.283 6.290 -10.152 1.00 0.00 N ATOM 0 H ARG A 31 0.070 8.897 -4.524 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.731 8.775 -4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.741 6.907 -5.508 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.480 6.718 -5.616 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.612 9.142 -6.442 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.861 9.163 -6.497 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.614 7.158 -7.999 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.913 8.594 -8.718 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.179 6.467 -7.480 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.594 9.217 -8.934 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.218 8.567 -10.453 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.140 5.386 -9.941 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.806 6.418 -11.018 1.00 0.00 H new ATOM 496 N VAL A 32 -0.911 6.573 -2.527 1.00 0.00 N ATOM 497 CA VAL A 32 -0.967 5.609 -1.440 1.00 0.00 C ATOM 498 C VAL A 32 -1.493 6.298 -0.184 1.00 0.00 C ATOM 499 O VAL A 32 -2.447 5.835 0.439 1.00 0.00 O ATOM 500 CB VAL A 32 0.425 5.026 -1.183 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.390 4.139 0.062 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.857 4.186 -2.388 1.00 0.00 C ATOM 0 H VAL A 32 0.027 6.781 -2.869 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.638 4.793 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 32 1.133 5.841 -1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.382 3.726 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.082 4.732 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.320 3.326 -0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.848 3.771 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.146 3.374 -2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.885 4.814 -3.278 1.00 0.00 H new ATOM 512 N LYS A 33 -0.875 7.423 0.168 1.00 0.00 N ATOM 513 CA LYS A 33 -1.300 8.186 1.334 1.00 0.00 C ATOM 514 C LYS A 33 -2.747 8.645 1.177 1.00 0.00 C ATOM 515 O LYS A 33 -3.542 8.572 2.113 1.00 0.00 O ATOM 516 CB LYS A 33 -0.412 9.417 1.490 1.00 0.00 C ATOM 517 CG LYS A 33 1.002 8.989 1.874 1.00 0.00 C ATOM 518 CD LYS A 33 1.838 10.235 2.151 1.00 0.00 C ATOM 519 CE LYS A 33 3.294 9.837 2.394 1.00 0.00 C ATOM 520 NZ LYS A 33 4.163 11.043 2.296 1.00 0.00 N ATOM 0 H LYS A 33 -0.083 7.823 -0.335 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.218 7.546 2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.390 9.982 0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.822 10.078 2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.976 8.349 2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.450 8.405 1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.775 10.922 1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.445 10.762 3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.398 9.380 3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.605 9.091 1.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.153 10.772 2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.072 11.460 1.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.871 11.740 3.010 1.00 0.00 H new ATOM 534 N ASN A 34 -3.064 9.140 -0.014 1.00 0.00 N ATOM 535 CA ASN A 34 -4.401 9.641 -0.305 1.00 0.00 C ATOM 536 C ASN A 34 -5.454 8.533 -0.254 1.00 0.00 C ATOM 537 O ASN A 34 -6.510 8.704 0.353 1.00 0.00 O ATOM 538 CB ASN A 34 -4.399 10.283 -1.694 1.00 0.00 C ATOM 539 CG ASN A 34 -3.386 11.426 -1.744 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.290 12.212 -0.802 1.00 0.00 O ATOM 541 ND2 ASN A 34 -2.615 11.563 -2.793 1.00 0.00 N ATOM 0 H ASN A 34 -2.411 9.205 -0.795 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.661 10.375 0.458 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.153 9.535 -2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.394 10.659 -1.931 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.934 12.322 -2.830 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.695 10.911 -3.573 1.00 0.00 H new ATOM 548 N ILE A 35 -5.171 7.408 -0.904 1.00 0.00 N ATOM 549 CA ILE A 35 -6.122 6.296 -0.929 1.00 0.00 C ATOM 550 C ILE A 35 -6.257 5.634 0.440 1.00 0.00 C ATOM 551 O ILE A 35 -7.369 5.394 0.908 1.00 0.00 O ATOM 552 CB ILE A 35 -5.694 5.258 -1.961 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.736 5.883 -3.360 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.644 4.058 -1.910 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.130 4.910 -4.374 1.00 0.00 C ATOM 0 H ILE A 35 -4.304 7.241 -1.415 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.094 6.705 -1.203 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.680 4.925 -1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.765 6.117 -3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.183 6.822 -3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.336 3.318 -2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.614 3.612 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.659 4.388 -2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.160 5.355 -5.368 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.096 4.699 -4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.702 3.982 -4.374 1.00 0.00 H new ATOM 567 N LEU A 36 -5.131 5.341 1.085 1.00 0.00 N ATOM 568 CA LEU A 36 -5.180 4.710 2.400 1.00 0.00 C ATOM 569 C LEU A 36 -5.972 5.581 3.359 1.00 0.00 C ATOM 570 O LEU A 36 -6.741 5.086 4.183 1.00 0.00 O ATOM 571 CB LEU A 36 -3.768 4.504 2.944 1.00 0.00 C ATOM 572 CG LEU A 36 -3.039 3.462 2.097 1.00 0.00 C ATOM 573 CD1 LEU A 36 -1.639 3.243 2.668 1.00 0.00 C ATOM 574 CD2 LEU A 36 -3.819 2.145 2.134 1.00 0.00 C ATOM 0 H LEU A 36 -4.193 5.525 0.729 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.666 3.739 2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.221 5.447 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.812 4.177 3.983 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.963 3.810 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.113 2.500 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.087 4.183 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.717 2.890 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.302 1.399 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.891 1.793 3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.821 2.304 1.734 1.00 0.00 H new ATOM 586 N ALA A 37 -5.794 6.885 3.224 1.00 0.00 N ATOM 587 CA ALA A 37 -6.510 7.831 4.058 1.00 0.00 C ATOM 588 C ALA A 37 -7.988 7.815 3.693 1.00 0.00 C ATOM 589 O ALA A 37 -8.819 8.400 4.389 1.00 0.00 O ATOM 590 CB ALA A 37 -5.946 9.240 3.855 1.00 0.00 C ATOM 0 H ALA A 37 -5.161 7.310 2.546 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.390 7.547 5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.490 9.944 4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.890 9.252 4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.056 9.529 2.810 1.00 0.00 H new ATOM 596 N ALA A 38 -8.305 7.154 2.579 1.00 0.00 N ATOM 597 CA ALA A 38 -9.686 7.087 2.115 1.00 0.00 C ATOM 598 C ALA A 38 -10.457 5.953 2.787 1.00 0.00 C ATOM 599 O ALA A 38 -11.687 5.935 2.759 1.00 0.00 O ATOM 600 CB ALA A 38 -9.718 6.892 0.597 1.00 0.00 C ATOM 0 H ALA A 38 -7.632 6.664 1.990 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.167 8.028 2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.753 6.843 0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.217 7.730 0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.207 5.964 0.338 1.00 0.00 H new ATOM 606 N VAL A 39 -9.742 5.005 3.383 1.00 0.00 N ATOM 607 CA VAL A 39 -10.404 3.883 4.041 1.00 0.00 C ATOM 608 C VAL A 39 -10.759 4.224 5.485 1.00 0.00 C ATOM 609 O VAL A 39 -11.575 3.547 6.107 1.00 0.00 O ATOM 610 CB VAL A 39 -9.508 2.645 4.008 1.00 0.00 C ATOM 611 CG1 VAL A 39 -8.379 2.800 5.029 1.00 0.00 C ATOM 612 CG2 VAL A 39 -10.343 1.410 4.355 1.00 0.00 C ATOM 0 H VAL A 39 -8.723 4.989 3.425 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.326 3.675 3.499 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.080 2.531 3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.742 1.916 5.004 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.786 3.682 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.804 2.913 6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.709 0.524 4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.769 1.527 5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.147 1.299 3.628 1.00 0.00 H new ATOM 622 N GLU A 40 -10.149 5.282 6.006 1.00 0.00 N ATOM 623 CA GLU A 40 -10.412 5.714 7.375 1.00 0.00 C ATOM 624 C GLU A 40 -10.663 4.514 8.288 1.00 0.00 C ATOM 625 O GLU A 40 -9.756 4.040 8.972 1.00 0.00 O ATOM 626 CB GLU A 40 -11.636 6.631 7.396 1.00 0.00 C ATOM 627 CG GLU A 40 -11.438 7.761 6.383 1.00 0.00 C ATOM 628 CD GLU A 40 -12.609 8.736 6.451 1.00 0.00 C ATOM 629 OE1 GLU A 40 -13.562 8.435 7.148 1.00 0.00 O ATOM 630 OE2 GLU A 40 -12.534 9.768 5.803 1.00 0.00 O ATOM 0 H GLU A 40 -9.471 5.855 5.504 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.537 6.251 7.740 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.534 6.063 7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.779 7.043 8.395 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.505 8.286 6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.356 7.348 5.377 1.00 0.00 H new ATOM 637 N ALA A 41 -11.902 4.030 8.291 1.00 0.00 N ATOM 638 CA ALA A 41 -12.272 2.886 9.120 1.00 0.00 C ATOM 639 C ALA A 41 -11.698 3.020 10.528 1.00 0.00 C ATOM 640 O ALA A 41 -10.983 3.974 10.834 1.00 0.00 O ATOM 641 CB ALA A 41 -11.761 1.594 8.480 1.00 0.00 C ATOM 0 H ALA A 41 -12.665 4.410 7.731 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.359 2.856 9.192 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.040 0.744 9.103 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.203 1.479 7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.676 1.637 8.390 1.00 0.00 H new ATOM 647 N THR A 42 -12.024 2.051 11.382 1.00 0.00 N ATOM 648 CA THR A 42 -11.545 2.058 12.761 1.00 0.00 C ATOM 649 C THR A 42 -10.148 1.450 12.854 1.00 0.00 C ATOM 650 O THR A 42 -9.520 1.477 13.911 1.00 0.00 O ATOM 651 CB THR A 42 -12.508 1.268 13.650 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.559 -0.081 13.206 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.901 1.890 13.568 1.00 0.00 C ATOM 0 H THR A 42 -12.615 1.255 11.144 1.00 0.00 H new ATOM 0 HA THR A 42 -11.498 3.092 13.102 1.00 0.00 H new ATOM 0 HB THR A 42 -12.161 1.296 14.683 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.174 -0.590 13.775 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.588 1.328 14.201 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.858 2.925 13.908 1.00 0.00 H new ATOM 0 HG23 THR A 42 -14.252 1.861 12.536 1.00 0.00 H new ATOM 661 N VAL A 43 -9.670 0.901 11.742 1.00 0.00 N ATOM 662 CA VAL A 43 -8.351 0.288 11.706 1.00 0.00 C ATOM 663 C VAL A 43 -7.472 0.975 10.666 1.00 0.00 C ATOM 664 O VAL A 43 -7.362 0.517 9.529 1.00 0.00 O ATOM 665 CB VAL A 43 -8.488 -1.192 11.363 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.867 -1.979 12.619 1.00 0.00 C ATOM 667 CG2 VAL A 43 -9.584 -1.362 10.310 1.00 0.00 C ATOM 0 H VAL A 43 -10.176 0.869 10.857 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.885 0.397 12.685 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.540 -1.566 10.976 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.964 -3.036 12.371 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.092 -1.854 13.375 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.816 -1.609 13.008 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.688 -2.418 10.060 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.529 -0.988 10.705 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.318 -0.801 9.414 1.00 0.00 H new ATOM 677 N PRO A 44 -6.855 2.061 11.040 1.00 0.00 N ATOM 678 CA PRO A 44 -5.970 2.838 10.131 1.00 0.00 C ATOM 679 C PRO A 44 -4.678 2.095 9.798 1.00 0.00 C ATOM 680 O PRO A 44 -4.172 1.313 10.603 1.00 0.00 O ATOM 681 CB PRO A 44 -5.678 4.143 10.884 1.00 0.00 C ATOM 682 CG PRO A 44 -6.415 4.081 12.188 1.00 0.00 C ATOM 683 CD PRO A 44 -6.930 2.655 12.376 1.00 0.00 C ATOM 0 HA PRO A 44 -6.451 3.011 9.168 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.607 4.258 11.053 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.002 5.004 10.300 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.756 4.359 13.011 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.244 4.788 12.190 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.320 2.103 13.091 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.951 2.648 12.757 1.00 0.00 H new ATOM 691 N ILE A 45 -4.155 2.350 8.603 1.00 0.00 N ATOM 692 CA ILE A 45 -2.922 1.707 8.158 1.00 0.00 C ATOM 693 C ILE A 45 -1.738 2.656 8.289 1.00 0.00 C ATOM 694 O ILE A 45 -1.881 3.865 8.104 1.00 0.00 O ATOM 695 CB ILE A 45 -3.044 1.289 6.693 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.309 0.452 6.500 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.813 0.466 6.299 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.444 1.347 5.996 1.00 0.00 C ATOM 0 H ILE A 45 -4.564 2.995 7.927 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.759 0.832 8.787 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.105 2.177 6.063 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.121 -0.351 5.787 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.593 -0.018 7.441 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.895 0.165 5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.914 1.068 6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.752 -0.422 6.928 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.345 0.749 5.859 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.638 2.134 6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.158 1.796 5.045 1.00 0.00 H new ATOM 710 N SER A 46 -0.564 2.108 8.581 1.00 0.00 N ATOM 711 CA SER A 46 0.627 2.934 8.698 1.00 0.00 C ATOM 712 C SER A 46 1.392 2.887 7.381 1.00 0.00 C ATOM 713 O SER A 46 1.762 1.813 6.906 1.00 0.00 O ATOM 714 CB SER A 46 1.516 2.424 9.832 1.00 0.00 C ATOM 715 OG SER A 46 2.496 3.407 10.139 1.00 0.00 O ATOM 0 H SER A 46 -0.414 1.111 8.738 1.00 0.00 H new ATOM 0 HA SER A 46 0.336 3.960 8.921 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.912 2.208 10.714 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.999 1.491 9.540 1.00 0.00 H new ATOM 0 HG SER A 46 3.067 3.084 10.867 1.00 0.00 H new ATOM 721 N LEU A 47 1.608 4.052 6.781 1.00 0.00 N ATOM 722 CA LEU A 47 2.307 4.113 5.506 1.00 0.00 C ATOM 723 C LEU A 47 3.772 4.476 5.718 1.00 0.00 C ATOM 724 O LEU A 47 4.092 5.582 6.159 1.00 0.00 O ATOM 725 CB LEU A 47 1.622 5.156 4.607 1.00 0.00 C ATOM 726 CG LEU A 47 2.175 5.151 3.167 1.00 0.00 C ATOM 727 CD1 LEU A 47 3.245 6.232 3.019 1.00 0.00 C ATOM 728 CD2 LEU A 47 2.775 3.791 2.800 1.00 0.00 C ATOM 0 H LEU A 47 1.313 4.955 7.152 1.00 0.00 H new ATOM 0 HA LEU A 47 2.267 3.136 5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.550 4.961 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.755 6.147 5.040 1.00 0.00 H new ATOM 0 HG LEU A 47 1.344 5.352 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.632 6.224 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.809 7.208 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.059 6.037 3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.155 3.824 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.591 3.557 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.007 3.022 2.876 1.00 0.00 H new ATOM 740 N GLN A 48 4.654 3.531 5.411 1.00 0.00 N ATOM 741 CA GLN A 48 6.078 3.738 5.571 1.00 0.00 C ATOM 742 C GLN A 48 6.806 3.532 4.242 1.00 0.00 C ATOM 743 O GLN A 48 6.441 2.663 3.452 1.00 0.00 O ATOM 744 CB GLN A 48 6.601 2.756 6.611 1.00 0.00 C ATOM 745 CG GLN A 48 6.039 3.119 7.987 1.00 0.00 C ATOM 746 CD GLN A 48 6.498 2.099 9.024 1.00 0.00 C ATOM 747 OE1 GLN A 48 7.161 1.120 8.681 1.00 0.00 O ATOM 748 NE2 GLN A 48 6.179 2.268 10.278 1.00 0.00 N ATOM 0 H GLN A 48 4.400 2.612 5.049 1.00 0.00 H new ATOM 0 HA GLN A 48 6.260 4.761 5.900 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.311 1.740 6.345 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.690 2.781 6.634 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.373 4.116 8.274 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.950 3.146 7.949 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.630 3.080 10.560 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.479 1.588 10.977 1.00 0.00 H new ATOM 757 N VAL A 49 7.835 4.339 4.011 1.00 0.00 N ATOM 758 CA VAL A 49 8.616 4.248 2.778 1.00 0.00 C ATOM 759 C VAL A 49 10.007 3.698 3.058 1.00 0.00 C ATOM 760 O VAL A 49 10.638 4.060 4.050 1.00 0.00 O ATOM 761 CB VAL A 49 8.759 5.623 2.123 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.383 5.456 0.735 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.384 6.282 1.992 1.00 0.00 C ATOM 0 H VAL A 49 8.149 5.062 4.658 1.00 0.00 H new ATOM 0 HA VAL A 49 8.084 3.575 2.106 1.00 0.00 H new ATOM 0 HB VAL A 49 9.398 6.255 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.487 6.433 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.365 4.992 0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.742 4.823 0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.493 7.261 1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.738 5.656 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.941 6.399 2.981 1.00 0.00 H new ATOM 773 N ILE A 50 10.489 2.840 2.172 1.00 0.00 N ATOM 774 CA ILE A 50 11.814 2.276 2.334 1.00 0.00 C ATOM 775 C ILE A 50 12.708 2.716 1.184 1.00 0.00 C ATOM 776 O ILE A 50 12.394 2.477 0.019 1.00 0.00 O ATOM 777 CB ILE A 50 11.727 0.752 2.363 1.00 0.00 C ATOM 778 CG1 ILE A 50 10.700 0.333 3.419 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.097 0.169 2.710 1.00 0.00 C ATOM 780 CD1 ILE A 50 10.756 -1.181 3.630 1.00 0.00 C ATOM 0 H ILE A 50 9.986 2.523 1.343 1.00 0.00 H new ATOM 0 HA ILE A 50 12.239 2.630 3.273 1.00 0.00 H new ATOM 0 HB ILE A 50 11.420 0.378 1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.902 0.847 4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.699 0.628 3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.035 -0.919 2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.824 0.477 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.410 0.533 3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.023 -1.471 4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.532 -1.688 2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.753 -1.465 3.967 1.00 0.00 H new ATOM 792 N ASN A 51 13.824 3.353 1.515 1.00 0.00 N ATOM 793 CA ASN A 51 14.747 3.810 0.492 1.00 0.00 C ATOM 794 C ASN A 51 15.684 2.670 0.108 1.00 0.00 C ATOM 795 O ASN A 51 16.546 2.280 0.894 1.00 0.00 O ATOM 796 CB ASN A 51 15.567 4.990 1.016 1.00 0.00 C ATOM 797 CG ASN A 51 14.730 6.263 0.980 1.00 0.00 C ATOM 798 OD1 ASN A 51 14.511 6.893 2.015 1.00 0.00 O ATOM 799 ND2 ASN A 51 14.248 6.684 -0.157 1.00 0.00 N ATOM 0 H ASN A 51 14.107 3.562 2.472 1.00 0.00 H new ATOM 0 HA ASN A 51 14.181 4.130 -0.383 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.896 4.790 2.036 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.464 5.118 0.410 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.689 7.536 -0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.431 6.161 -1.013 1.00 0.00 H new ATOM 806 N VAL A 52 15.510 2.127 -1.090 1.00 0.00 N ATOM 807 CA VAL A 52 16.352 1.017 -1.526 1.00 0.00 C ATOM 808 C VAL A 52 17.828 1.408 -1.503 1.00 0.00 C ATOM 809 O VAL A 52 18.702 0.556 -1.339 1.00 0.00 O ATOM 810 CB VAL A 52 15.954 0.570 -2.932 1.00 0.00 C ATOM 811 CG1 VAL A 52 14.473 0.180 -2.937 1.00 0.00 C ATOM 812 CG2 VAL A 52 16.187 1.715 -3.919 1.00 0.00 C ATOM 0 H VAL A 52 14.809 2.428 -1.766 1.00 0.00 H new ATOM 0 HA VAL A 52 16.204 0.189 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 52 16.558 -0.287 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.184 -0.140 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.309 -0.637 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.870 1.039 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.903 1.395 -4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.584 2.575 -3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 52 17.241 1.993 -3.912 1.00 0.00 H new ATOM 822 N ALA A 53 18.101 2.697 -1.667 1.00 0.00 N ATOM 823 CA ALA A 53 19.473 3.182 -1.661 1.00 0.00 C ATOM 824 C ALA A 53 20.044 3.197 -0.246 1.00 0.00 C ATOM 825 O ALA A 53 21.257 3.290 -0.065 1.00 0.00 O ATOM 826 CB ALA A 53 19.529 4.594 -2.246 1.00 0.00 C ATOM 0 H ALA A 53 17.395 3.420 -1.805 1.00 0.00 H new ATOM 0 HA ALA A 53 20.073 2.506 -2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.559 4.950 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 53 19.158 4.578 -3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.910 5.261 -1.646 1.00 0.00 H new ATOM 832 N ASP A 54 19.172 3.120 0.756 1.00 0.00 N ATOM 833 CA ASP A 54 19.631 3.143 2.136 1.00 0.00 C ATOM 834 C ASP A 54 19.856 1.731 2.663 1.00 0.00 C ATOM 835 O ASP A 54 20.659 1.523 3.574 1.00 0.00 O ATOM 836 CB ASP A 54 18.613 3.865 3.017 1.00 0.00 C ATOM 837 CG ASP A 54 18.555 5.341 2.642 1.00 0.00 C ATOM 838 OD1 ASP A 54 19.415 5.775 1.893 1.00 0.00 O ATOM 839 OD2 ASP A 54 17.655 6.016 3.111 1.00 0.00 O ATOM 0 H ASP A 54 18.162 3.043 0.639 1.00 0.00 H new ATOM 0 HA ASP A 54 20.580 3.678 2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.629 3.412 2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 54 18.887 3.758 4.067 1.00 0.00 H new ATOM 844 N GLN A 55 19.151 0.762 2.090 1.00 0.00 N ATOM 845 CA GLN A 55 19.301 -0.620 2.523 1.00 0.00 C ATOM 846 C GLN A 55 18.697 -1.588 1.508 1.00 0.00 C ATOM 847 O GLN A 55 17.565 -2.031 1.647 1.00 0.00 O ATOM 848 CB GLN A 55 18.664 -0.809 3.909 1.00 0.00 C ATOM 849 CG GLN A 55 17.133 -0.779 3.824 1.00 0.00 C ATOM 850 CD GLN A 55 16.679 0.186 2.736 1.00 0.00 C ATOM 851 OE1 GLN A 55 16.800 1.399 2.898 1.00 0.00 O ATOM 852 NE2 GLN A 55 16.152 -0.278 1.636 1.00 0.00 N ATOM 0 H GLN A 55 18.480 0.905 1.336 1.00 0.00 H new ATOM 0 HA GLN A 55 20.365 -0.844 2.593 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.989 -1.758 4.335 1.00 0.00 H new ATOM 0 HB3 GLN A 55 19.009 -0.023 4.581 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.755 -1.779 3.612 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.715 -0.477 4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.052 -1.284 1.503 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.840 0.366 0.909 1.00 0.00 H new ATOM 861 N PRO A 56 19.449 -1.923 0.496 1.00 0.00 N ATOM 862 CA PRO A 56 19.014 -2.869 -0.571 1.00 0.00 C ATOM 863 C PRO A 56 19.024 -4.315 -0.087 1.00 0.00 C ATOM 864 O PRO A 56 18.705 -5.241 -0.835 1.00 0.00 O ATOM 865 CB PRO A 56 20.040 -2.684 -1.694 1.00 0.00 C ATOM 866 CG PRO A 56 21.012 -1.637 -1.239 1.00 0.00 C ATOM 867 CD PRO A 56 20.808 -1.435 0.260 1.00 0.00 C ATOM 0 HA PRO A 56 17.991 -2.665 -0.888 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.555 -3.622 -1.903 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.549 -2.377 -2.617 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.035 -1.949 -1.447 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.848 -0.703 -1.777 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.541 -1.994 0.842 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.911 -0.387 0.540 1.00 0.00 H new ATOM 875 N GLN A 57 19.435 -4.497 1.160 1.00 0.00 N ATOM 876 CA GLN A 57 19.542 -5.831 1.745 1.00 0.00 C ATOM 877 C GLN A 57 18.175 -6.500 1.895 1.00 0.00 C ATOM 878 O GLN A 57 18.010 -7.659 1.511 1.00 0.00 O ATOM 879 CB GLN A 57 20.203 -5.726 3.122 1.00 0.00 C ATOM 880 CG GLN A 57 20.585 -7.119 3.623 1.00 0.00 C ATOM 881 CD GLN A 57 21.207 -7.013 5.014 1.00 0.00 C ATOM 882 OE1 GLN A 57 21.370 -5.913 5.538 1.00 0.00 O ATOM 883 NE2 GLN A 57 21.568 -8.098 5.643 1.00 0.00 N ATOM 0 H GLN A 57 19.701 -3.739 1.788 1.00 0.00 H new ATOM 0 HA GLN A 57 20.144 -6.443 1.074 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.090 -5.096 3.062 1.00 0.00 H new ATOM 0 HB3 GLN A 57 19.521 -5.251 3.827 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.703 -7.759 3.656 1.00 0.00 H new ATOM 0 HG3 GLN A 57 21.290 -7.583 2.933 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.432 -9.010 5.206 1.00 0.00 H new ATOM 0 HE22 GLN A 57 21.986 -8.034 6.571 1.00 0.00 H new ATOM 892 N LEU A 58 17.194 -5.788 2.445 1.00 0.00 N ATOM 893 CA LEU A 58 15.872 -6.381 2.609 1.00 0.00 C ATOM 894 C LEU A 58 15.141 -6.448 1.270 1.00 0.00 C ATOM 895 O LEU A 58 14.238 -7.264 1.093 1.00 0.00 O ATOM 896 CB LEU A 58 15.029 -5.618 3.640 1.00 0.00 C ATOM 897 CG LEU A 58 15.421 -4.147 3.668 1.00 0.00 C ATOM 898 CD1 LEU A 58 15.335 -3.581 2.257 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.464 -3.383 4.585 1.00 0.00 C ATOM 0 H LEU A 58 17.285 -4.827 2.776 1.00 0.00 H new ATOM 0 HA LEU A 58 16.015 -7.395 2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.971 -5.714 3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 58 15.169 -6.056 4.628 1.00 0.00 H new ATOM 0 HG LEU A 58 16.439 -4.044 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.615 -2.528 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.014 -4.129 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.315 -3.681 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.743 -2.330 4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.445 -3.481 4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 58 14.521 -3.794 5.593 1.00 0.00 H new ATOM 911 N VAL A 59 15.537 -5.594 0.324 1.00 0.00 N ATOM 912 CA VAL A 59 14.901 -5.585 -0.989 1.00 0.00 C ATOM 913 C VAL A 59 15.118 -6.929 -1.676 1.00 0.00 C ATOM 914 O VAL A 59 14.174 -7.532 -2.186 1.00 0.00 O ATOM 915 CB VAL A 59 15.487 -4.465 -1.850 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.766 -4.424 -3.191 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.305 -3.124 -1.142 1.00 0.00 C ATOM 0 H VAL A 59 16.284 -4.910 0.442 1.00 0.00 H new ATOM 0 HA VAL A 59 13.832 -5.412 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 59 16.549 -4.653 -2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.184 -3.626 -3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.893 -5.379 -3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.704 -4.238 -3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.723 -2.328 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.243 -2.939 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.819 -3.147 -0.181 1.00 0.00 H new ATOM 927 N GLU A 60 16.360 -7.410 -1.661 1.00 0.00 N ATOM 928 CA GLU A 60 16.664 -8.705 -2.263 1.00 0.00 C ATOM 929 C GLU A 60 16.050 -9.815 -1.418 1.00 0.00 C ATOM 930 O GLU A 60 15.608 -10.837 -1.943 1.00 0.00 O ATOM 931 CB GLU A 60 18.178 -8.906 -2.365 1.00 0.00 C ATOM 932 CG GLU A 60 18.767 -7.869 -3.323 1.00 0.00 C ATOM 933 CD GLU A 60 20.250 -8.147 -3.539 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.768 -9.042 -2.890 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.847 -7.464 -4.355 1.00 0.00 O ATOM 0 H GLU A 60 17.159 -6.931 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 60 16.242 -8.736 -3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.636 -8.809 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.399 -9.912 -2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.239 -7.901 -4.276 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.631 -6.867 -2.916 1.00 0.00 H new ATOM 942 N TYR A 61 16.016 -9.593 -0.105 1.00 0.00 N ATOM 943 CA TYR A 61 15.438 -10.568 0.813 1.00 0.00 C ATOM 944 C TYR A 61 14.016 -10.897 0.388 1.00 0.00 C ATOM 945 O TYR A 61 13.603 -12.056 0.392 1.00 0.00 O ATOM 946 CB TYR A 61 15.434 -9.995 2.231 1.00 0.00 C ATOM 947 CG TYR A 61 14.819 -10.988 3.185 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.559 -12.091 3.626 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.510 -10.794 3.638 1.00 0.00 C ATOM 950 CE1 TYR A 61 14.985 -13.004 4.520 1.00 0.00 C ATOM 951 CE2 TYR A 61 12.936 -11.706 4.530 1.00 0.00 C ATOM 952 CZ TYR A 61 13.674 -12.812 4.972 1.00 0.00 C ATOM 953 OH TYR A 61 13.110 -13.712 5.854 1.00 0.00 O ATOM 0 H TYR A 61 16.380 -8.752 0.343 1.00 0.00 H new ATOM 0 HA TYR A 61 16.035 -11.480 0.793 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.453 -9.763 2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.873 -9.061 2.253 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.571 -12.238 3.278 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.942 -9.940 3.299 1.00 0.00 H new ATOM 0 HE1 TYR A 61 15.554 -13.856 4.861 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.924 -11.558 4.878 1.00 0.00 H new ATOM 0 HH TYR A 61 12.196 -13.431 6.068 1.00 0.00 H new ATOM 963 N TYR A 62 13.283 -9.863 0.004 1.00 0.00 N ATOM 964 CA TYR A 62 11.913 -10.026 -0.449 1.00 0.00 C ATOM 965 C TYR A 62 11.905 -10.365 -1.933 1.00 0.00 C ATOM 966 O TYR A 62 10.881 -10.236 -2.604 1.00 0.00 O ATOM 967 CB TYR A 62 11.143 -8.725 -0.225 1.00 0.00 C ATOM 968 CG TYR A 62 10.966 -8.467 1.252 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.213 -9.347 2.036 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.556 -7.339 1.833 1.00 0.00 C ATOM 971 CE1 TYR A 62 10.050 -9.097 3.404 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.394 -7.087 3.198 1.00 0.00 C ATOM 973 CZ TYR A 62 10.640 -7.965 3.986 1.00 0.00 C ATOM 974 OH TYR A 62 10.478 -7.715 5.334 1.00 0.00 O ATOM 0 H TYR A 62 13.617 -8.899 -0.002 1.00 0.00 H new ATOM 0 HA TYR A 62 11.441 -10.832 0.113 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.678 -7.894 -0.684 1.00 0.00 H new ATOM 0 HB3 TYR A 62 10.169 -8.783 -0.710 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.758 -10.218 1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 62 12.138 -6.662 1.225 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.470 -9.776 4.011 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.850 -6.216 3.645 1.00 0.00 H new ATOM 0 HH TYR A 62 10.953 -6.892 5.573 1.00 0.00 H new ATOM 984 N ARG A 63 13.065 -10.764 -2.450 1.00 0.00 N ATOM 985 CA ARG A 63 13.181 -11.076 -3.865 1.00 0.00 C ATOM 986 C ARG A 63 12.751 -9.859 -4.661 1.00 0.00 C ATOM 987 O ARG A 63 12.658 -9.891 -5.887 1.00 0.00 O ATOM 988 CB ARG A 63 12.301 -12.269 -4.232 1.00 0.00 C ATOM 989 CG ARG A 63 12.801 -13.520 -3.513 1.00 0.00 C ATOM 990 CD ARG A 63 12.095 -14.742 -4.097 1.00 0.00 C ATOM 991 NE ARG A 63 12.389 -15.928 -3.304 1.00 0.00 N ATOM 992 CZ ARG A 63 12.754 -17.067 -3.885 1.00 0.00 C ATOM 993 NH1 ARG A 63 12.587 -17.226 -5.169 1.00 0.00 N ATOM 994 NH2 ARG A 63 13.280 -18.025 -3.170 1.00 0.00 N ATOM 0 H ARG A 63 13.926 -10.877 -1.915 1.00 0.00 H new ATOM 0 HA ARG A 63 14.215 -11.336 -4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.266 -12.068 -3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.318 -12.427 -5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.880 -13.616 -3.631 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.602 -13.445 -2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.019 -14.571 -4.121 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.416 -14.897 -5.127 1.00 0.00 H new ATOM 0 HE ARG A 63 12.314 -15.884 -2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.177 -16.477 -5.727 1.00 0.00 H new ATOM 0 HH12 ARG A 63 12.867 -18.099 -5.615 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.411 -17.899 -2.166 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.560 -18.899 -3.615 1.00 0.00 H new ATOM 1008 N LEU A 64 12.488 -8.785 -3.930 1.00 0.00 N ATOM 1009 CA LEU A 64 12.062 -7.528 -4.521 1.00 0.00 C ATOM 1010 C LEU A 64 13.158 -6.973 -5.424 1.00 0.00 C ATOM 1011 O LEU A 64 14.327 -6.946 -5.046 1.00 0.00 O ATOM 1012 CB LEU A 64 11.754 -6.542 -3.387 1.00 0.00 C ATOM 1013 CG LEU A 64 10.858 -5.401 -3.871 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.587 -4.582 -4.930 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.572 -5.977 -4.459 1.00 0.00 C ATOM 0 H LEU A 64 12.564 -8.762 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 64 11.171 -7.684 -5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.265 -7.068 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.685 -6.134 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 64 10.613 -4.754 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.943 -3.771 -5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.500 -4.166 -4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.840 -5.223 -5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.933 -5.164 -4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.816 -6.628 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.048 -6.551 -3.695 1.00 0.00 H new ATOM 1027 N VAL A 65 12.779 -6.543 -6.620 1.00 0.00 N ATOM 1028 CA VAL A 65 13.752 -5.992 -7.563 1.00 0.00 C ATOM 1029 C VAL A 65 13.143 -4.866 -8.400 1.00 0.00 C ATOM 1030 O VAL A 65 13.863 -4.153 -9.098 1.00 0.00 O ATOM 1031 CB VAL A 65 14.275 -7.092 -8.494 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.704 -6.761 -8.936 1.00 0.00 C ATOM 1033 CG2 VAL A 65 14.273 -8.431 -7.758 1.00 0.00 C ATOM 0 H VAL A 65 11.818 -6.563 -6.961 1.00 0.00 H new ATOM 0 HA VAL A 65 14.577 -5.583 -6.980 1.00 0.00 H new ATOM 0 HB VAL A 65 13.629 -7.155 -9.370 1.00 0.00 H new ATOM 0 HG11 VAL A 65 16.071 -7.546 -9.597 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.710 -5.808 -9.465 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.349 -6.693 -8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.645 -9.212 -8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.915 -8.365 -6.880 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.257 -8.674 -7.447 1.00 0.00 H new ATOM 1043 N VAL A 66 11.823 -4.705 -8.330 1.00 0.00 N ATOM 1044 CA VAL A 66 11.158 -3.662 -9.089 1.00 0.00 C ATOM 1045 C VAL A 66 10.772 -2.504 -8.182 1.00 0.00 C ATOM 1046 O VAL A 66 10.332 -2.704 -7.049 1.00 0.00 O ATOM 1047 CB VAL A 66 9.899 -4.217 -9.756 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.288 -5.242 -10.823 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.003 -4.882 -8.708 1.00 0.00 C ATOM 0 H VAL A 66 11.203 -5.280 -7.760 1.00 0.00 H new ATOM 0 HA VAL A 66 11.849 -3.304 -9.852 1.00 0.00 H new ATOM 0 HB VAL A 66 9.354 -3.397 -10.224 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.388 -5.635 -11.296 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.914 -4.763 -11.576 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.840 -6.059 -10.358 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.108 -5.275 -9.191 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.546 -5.698 -8.230 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.716 -4.147 -7.955 1.00 0.00 H new ATOM 1059 N THR A 67 10.927 -1.290 -8.689 1.00 0.00 N ATOM 1060 CA THR A 67 10.575 -0.110 -7.918 1.00 0.00 C ATOM 1061 C THR A 67 9.856 0.904 -8.807 1.00 0.00 C ATOM 1062 O THR A 67 10.166 1.026 -9.992 1.00 0.00 O ATOM 1063 CB THR A 67 11.827 0.521 -7.312 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.825 0.652 -8.314 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.345 -0.369 -6.180 1.00 0.00 C ATOM 0 H THR A 67 11.291 -1.098 -9.622 1.00 0.00 H new ATOM 0 HA THR A 67 9.907 -0.409 -7.110 1.00 0.00 H new ATOM 0 HB THR A 67 11.585 1.507 -6.916 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.628 1.058 -7.925 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.239 0.079 -5.745 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.577 -0.465 -5.412 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.589 -1.355 -6.575 1.00 0.00 H new ATOM 1073 N PRO A 68 8.908 1.623 -8.264 1.00 0.00 N ATOM 1074 CA PRO A 68 8.506 1.503 -6.838 1.00 0.00 C ATOM 1075 C PRO A 68 7.697 0.236 -6.587 1.00 0.00 C ATOM 1076 O PRO A 68 7.158 -0.365 -7.517 1.00 0.00 O ATOM 1077 CB PRO A 68 7.651 2.746 -6.567 1.00 0.00 C ATOM 1078 CG PRO A 68 7.589 3.526 -7.845 1.00 0.00 C ATOM 1079 CD PRO A 68 8.112 2.630 -8.964 1.00 0.00 C ATOM 0 HA PRO A 68 9.374 1.439 -6.182 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.651 2.462 -6.241 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.088 3.347 -5.770 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.566 3.838 -8.053 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.190 4.432 -7.769 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.296 2.175 -9.526 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.716 3.192 -9.677 1.00 0.00 H new ATOM 1087 N ALA A 69 7.620 -0.169 -5.329 1.00 0.00 N ATOM 1088 CA ALA A 69 6.881 -1.369 -4.976 1.00 0.00 C ATOM 1089 C ALA A 69 6.290 -1.233 -3.579 1.00 0.00 C ATOM 1090 O ALA A 69 6.894 -0.626 -2.696 1.00 0.00 O ATOM 1091 CB ALA A 69 7.813 -2.581 -5.011 1.00 0.00 C ATOM 0 H ALA A 69 8.056 0.311 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 69 6.074 -1.505 -5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.254 -3.478 -4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.225 -2.694 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.625 -2.436 -4.299 1.00 0.00 H new ATOM 1097 N LEU A 70 5.110 -1.805 -3.387 1.00 0.00 N ATOM 1098 CA LEU A 70 4.449 -1.746 -2.092 1.00 0.00 C ATOM 1099 C LEU A 70 4.317 -3.149 -1.512 1.00 0.00 C ATOM 1100 O LEU A 70 3.856 -4.066 -2.190 1.00 0.00 O ATOM 1101 CB LEU A 70 3.073 -1.102 -2.243 1.00 0.00 C ATOM 1102 CG LEU A 70 2.576 -0.647 -0.875 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.397 0.313 -1.046 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.134 -1.863 -0.064 1.00 0.00 C ATOM 0 H LEU A 70 4.594 -2.312 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 70 5.047 -1.141 -1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.129 -0.252 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.372 -1.813 -2.679 1.00 0.00 H new ATOM 0 HG LEU A 70 3.382 -0.134 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.045 0.635 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.716 1.182 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.589 -0.194 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.779 -1.538 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.330 -2.378 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.977 -2.542 0.063 1.00 0.00 H new ATOM 1116 N VAL A 71 4.743 -3.318 -0.263 1.00 0.00 N ATOM 1117 CA VAL A 71 4.682 -4.630 0.370 1.00 0.00 C ATOM 1118 C VAL A 71 3.934 -4.592 1.701 1.00 0.00 C ATOM 1119 O VAL A 71 4.281 -3.828 2.602 1.00 0.00 O ATOM 1120 CB VAL A 71 6.102 -5.153 0.603 1.00 0.00 C ATOM 1121 CG1 VAL A 71 6.038 -6.573 1.169 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.869 -5.164 -0.725 1.00 0.00 C ATOM 0 H VAL A 71 5.128 -2.576 0.322 1.00 0.00 H new ATOM 0 HA VAL A 71 4.136 -5.294 -0.301 1.00 0.00 H new ATOM 0 HB VAL A 71 6.615 -4.503 1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.049 -6.945 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.495 -6.564 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.524 -7.224 0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.880 -5.536 -0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.356 -5.812 -1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.917 -4.152 -1.126 1.00 0.00 H new ATOM 1132 N LYS A 72 2.927 -5.455 1.825 1.00 0.00 N ATOM 1133 CA LYS A 72 2.156 -5.551 3.059 1.00 0.00 C ATOM 1134 C LYS A 72 2.756 -6.633 3.946 1.00 0.00 C ATOM 1135 O LYS A 72 3.009 -7.747 3.488 1.00 0.00 O ATOM 1136 CB LYS A 72 0.696 -5.899 2.770 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.120 -5.727 4.053 1.00 0.00 C ATOM 1138 CD LYS A 72 -1.353 -6.626 3.994 1.00 0.00 C ATOM 1139 CE LYS A 72 -2.449 -6.054 4.893 1.00 0.00 C ATOM 1140 NZ LYS A 72 -3.453 -7.117 5.186 1.00 0.00 N ATOM 0 H LYS A 72 2.628 -6.094 1.088 1.00 0.00 H new ATOM 0 HA LYS A 72 2.192 -4.584 3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.303 -5.253 1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.618 -6.924 2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.488 -5.982 4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.421 -4.686 4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.713 -6.700 2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.095 -7.635 4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.016 -5.681 5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.931 -5.208 4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.959 -6.884 6.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.132 -7.179 4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.969 -8.031 5.297 1.00 0.00 H new ATOM 1154 N ILE A 73 2.981 -6.312 5.213 1.00 0.00 N ATOM 1155 CA ILE A 73 3.553 -7.291 6.131 1.00 0.00 C ATOM 1156 C ILE A 73 2.489 -7.881 7.057 1.00 0.00 C ATOM 1157 O ILE A 73 2.682 -8.961 7.614 1.00 0.00 O ATOM 1158 CB ILE A 73 4.688 -6.668 6.950 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.448 -5.163 7.111 1.00 0.00 C ATOM 1160 CG2 ILE A 73 6.021 -6.911 6.236 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.169 -4.393 6.001 1.00 0.00 C ATOM 0 H ILE A 73 2.781 -5.400 5.624 1.00 0.00 H new ATOM 0 HA ILE A 73 3.961 -8.104 5.530 1.00 0.00 H new ATOM 0 HB ILE A 73 4.718 -7.128 7.938 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.379 -4.952 7.076 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.806 -4.832 8.086 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.831 -6.469 6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.190 -7.983 6.136 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.992 -6.454 5.247 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.992 -3.325 6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.239 -4.592 6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.790 -4.713 5.031 1.00 0.00 H new ATOM 1173 N GLY A 74 1.359 -7.190 7.208 1.00 0.00 N ATOM 1174 CA GLY A 74 0.291 -7.706 8.061 1.00 0.00 C ATOM 1175 C GLY A 74 -0.483 -6.581 8.740 1.00 0.00 C ATOM 1176 O GLY A 74 -0.284 -5.405 8.435 1.00 0.00 O ATOM 0 H GLY A 74 1.162 -6.294 6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.393 -8.309 7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.716 -8.364 8.819 1.00 0.00 H new ATOM 1180 N PRO A 75 -1.359 -6.921 9.655 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.620 -8.337 10.043 1.00 0.00 C ATOM 1182 C PRO A 75 -2.107 -9.181 8.869 1.00 0.00 C ATOM 1183 O PRO A 75 -2.533 -8.651 7.843 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.700 -8.270 11.130 1.00 0.00 C ATOM 1185 CG PRO A 75 -3.040 -6.829 11.345 1.00 0.00 C ATOM 1186 CD PRO A 75 -2.180 -5.974 10.415 1.00 0.00 C ATOM 0 HA PRO A 75 -0.703 -8.813 10.390 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.584 -8.830 10.826 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.340 -8.720 12.055 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.098 -6.657 11.145 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.863 -6.551 12.384 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.800 -5.372 9.751 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.557 -5.283 10.983 1.00 0.00 H new ATOM 1194 N GLY A 76 -2.035 -10.497 9.027 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.464 -11.409 7.974 1.00 0.00 C ATOM 1196 C GLY A 76 -1.283 -11.847 7.115 1.00 0.00 C ATOM 1197 O GLY A 76 -0.129 -11.571 7.443 1.00 0.00 O ATOM 0 H GLY A 76 -1.686 -10.955 9.869 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.940 -12.284 8.417 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.212 -10.922 7.349 1.00 0.00 H new ATOM 1201 N SER A 77 -1.577 -12.535 6.017 1.00 0.00 N ATOM 1202 CA SER A 77 -0.528 -13.010 5.122 1.00 0.00 C ATOM 1203 C SER A 77 0.209 -11.846 4.473 1.00 0.00 C ATOM 1204 O SER A 77 -0.286 -10.719 4.440 1.00 0.00 O ATOM 1205 CB SER A 77 -1.125 -13.904 4.037 1.00 0.00 C ATOM 1206 OG SER A 77 -0.228 -13.971 2.937 1.00 0.00 O ATOM 0 H SER A 77 -2.525 -12.775 5.727 1.00 0.00 H new ATOM 0 HA SER A 77 0.184 -13.583 5.716 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.308 -14.903 4.433 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.087 -13.508 3.713 1.00 0.00 H new ATOM 0 HG SER A 77 -0.608 -14.545 2.240 1.00 0.00 H new ATOM 1212 N ARG A 78 1.399 -12.137 3.961 1.00 0.00 N ATOM 1213 CA ARG A 78 2.220 -11.122 3.308 1.00 0.00 C ATOM 1214 C ARG A 78 1.829 -10.977 1.840 1.00 0.00 C ATOM 1215 O ARG A 78 1.507 -11.961 1.174 1.00 0.00 O ATOM 1216 CB ARG A 78 3.695 -11.512 3.402 1.00 0.00 C ATOM 1217 CG ARG A 78 4.559 -10.422 2.763 1.00 0.00 C ATOM 1218 CD ARG A 78 6.028 -10.842 2.823 1.00 0.00 C ATOM 1219 NE ARG A 78 6.257 -11.998 1.963 1.00 0.00 N ATOM 1220 CZ ARG A 78 5.937 -11.970 0.674 1.00 0.00 C ATOM 1221 NH1 ARG A 78 4.684 -12.010 0.312 1.00 0.00 N ATOM 1222 NH2 ARG A 78 6.874 -11.904 -0.230 1.00 0.00 N ATOM 0 H ARG A 78 1.818 -13.067 3.985 1.00 0.00 H new ATOM 0 HA ARG A 78 2.057 -10.170 3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.979 -11.649 4.445 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.862 -12.464 2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.257 -10.262 1.728 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.418 -9.476 3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.664 -10.014 2.509 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.303 -11.083 3.850 1.00 0.00 H new ATOM 0 HE ARG A 78 6.670 -12.843 2.358 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.950 -12.063 1.019 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.438 -11.988 -0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.854 -11.874 0.052 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.627 -11.883 -1.220 1.00 0.00 H new ATOM 1236 N GLN A 79 1.871 -9.746 1.343 1.00 0.00 N ATOM 1237 CA GLN A 79 1.527 -9.480 -0.051 1.00 0.00 C ATOM 1238 C GLN A 79 2.470 -8.435 -0.637 1.00 0.00 C ATOM 1239 O GLN A 79 3.026 -7.612 0.091 1.00 0.00 O ATOM 1240 CB GLN A 79 0.086 -8.981 -0.150 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.863 -10.047 0.397 1.00 0.00 C ATOM 1242 CD GLN A 79 -0.940 -11.219 -0.574 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -0.819 -12.374 -0.166 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -1.132 -10.988 -1.843 1.00 0.00 N ATOM 0 H GLN A 79 2.138 -8.921 1.880 1.00 0.00 H new ATOM 0 HA GLN A 79 1.626 -10.407 -0.616 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.028 -8.054 0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.162 -8.757 -1.188 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.514 -10.392 1.370 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.855 -9.621 0.546 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.232 -10.030 -2.178 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.182 -11.766 -2.501 1.00 0.00 H new ATOM 1253 N VAL A 80 2.659 -8.473 -1.954 1.00 0.00 N ATOM 1254 CA VAL A 80 3.548 -7.520 -2.605 1.00 0.00 C ATOM 1255 C VAL A 80 2.907 -6.916 -3.850 1.00 0.00 C ATOM 1256 O VAL A 80 2.530 -7.633 -4.776 1.00 0.00 O ATOM 1257 CB VAL A 80 4.849 -8.217 -3.006 1.00 0.00 C ATOM 1258 CG1 VAL A 80 5.777 -7.217 -3.700 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.540 -8.774 -1.757 1.00 0.00 C ATOM 0 H VAL A 80 2.215 -9.143 -2.582 1.00 0.00 H new ATOM 0 HA VAL A 80 3.750 -6.718 -1.895 1.00 0.00 H new ATOM 0 HB VAL A 80 4.622 -9.035 -3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.703 -7.717 -3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.288 -6.825 -4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.002 -6.396 -3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.467 -9.270 -2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.764 -7.958 -1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.882 -9.491 -1.266 1.00 0.00 H new ATOM 1269 N LEU A 81 2.820 -5.590 -3.875 1.00 0.00 N ATOM 1270 CA LEU A 81 2.260 -4.893 -5.024 1.00 0.00 C ATOM 1271 C LEU A 81 3.325 -4.005 -5.646 1.00 0.00 C ATOM 1272 O LEU A 81 3.960 -3.214 -4.953 1.00 0.00 O ATOM 1273 CB LEU A 81 1.068 -4.035 -4.602 1.00 0.00 C ATOM 1274 CG LEU A 81 0.108 -4.867 -3.754 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.899 -3.939 -3.076 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.648 -5.856 -4.643 1.00 0.00 C ATOM 0 H LEU A 81 3.128 -4.981 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 81 1.922 -5.632 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.413 -3.170 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.552 -3.653 -5.483 1.00 0.00 H new ATOM 0 HG LEU A 81 0.677 -5.415 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.586 -4.529 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.369 -3.231 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.461 -3.395 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.331 -6.446 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.215 -5.309 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.063 -6.519 -5.136 1.00 0.00 H new ATOM 1288 N SER A 82 3.526 -4.138 -6.947 1.00 0.00 N ATOM 1289 CA SER A 82 4.533 -3.330 -7.620 1.00 0.00 C ATOM 1290 C SER A 82 4.261 -3.231 -9.108 1.00 0.00 C ATOM 1291 O SER A 82 3.401 -3.927 -9.650 1.00 0.00 O ATOM 1292 CB SER A 82 5.919 -3.934 -7.409 1.00 0.00 C ATOM 1293 OG SER A 82 6.871 -3.201 -8.170 1.00 0.00 O ATOM 0 H SER A 82 3.017 -4.784 -7.550 1.00 0.00 H new ATOM 0 HA SER A 82 4.491 -2.330 -7.189 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.183 -3.907 -6.352 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.922 -4.981 -7.712 1.00 0.00 H new ATOM 0 HG SER A 82 6.916 -2.280 -7.838 1.00 0.00 H new ATOM 1299 N GLY A 83 5.023 -2.370 -9.763 1.00 0.00 N ATOM 1300 CA GLY A 83 4.885 -2.189 -11.201 1.00 0.00 C ATOM 1301 C GLY A 83 3.874 -1.099 -11.538 1.00 0.00 C ATOM 1302 O GLY A 83 2.892 -1.346 -12.238 1.00 0.00 O ATOM 0 H GLY A 83 5.739 -1.789 -9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.854 -1.932 -11.630 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.573 -3.128 -11.658 1.00 0.00 H new ATOM 1306 N ILE A 84 4.130 0.104 -11.040 1.00 0.00 N ATOM 1307 CA ILE A 84 3.253 1.249 -11.287 1.00 0.00 C ATOM 1308 C ILE A 84 1.771 0.882 -11.187 1.00 0.00 C ATOM 1309 O ILE A 84 0.904 1.715 -11.447 1.00 0.00 O ATOM 1310 CB ILE A 84 3.552 1.834 -12.671 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.062 0.878 -13.766 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.061 2.029 -12.817 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.175 1.566 -15.126 1.00 0.00 C ATOM 0 H ILE A 84 4.941 0.316 -10.459 1.00 0.00 H new ATOM 0 HA ILE A 84 3.454 1.990 -10.513 1.00 0.00 H new ATOM 0 HB ILE A 84 3.037 2.789 -12.773 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.655 -0.037 -13.758 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.028 0.589 -13.577 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.281 2.445 -13.800 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.416 2.713 -12.046 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.564 1.068 -12.709 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.827 0.889 -15.906 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.563 2.468 -15.129 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.215 1.832 -15.314 1.00 0.00 H new ATOM 1325 N ASP A 85 1.485 -0.355 -10.803 1.00 0.00 N ATOM 1326 CA ASP A 85 0.100 -0.803 -10.665 1.00 0.00 C ATOM 1327 C ASP A 85 -0.293 -0.854 -9.190 1.00 0.00 C ATOM 1328 O ASP A 85 -1.331 -1.405 -8.826 1.00 0.00 O ATOM 1329 CB ASP A 85 -0.066 -2.188 -11.292 1.00 0.00 C ATOM 1330 CG ASP A 85 0.756 -3.210 -10.516 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.173 -2.891 -9.415 1.00 0.00 O ATOM 1332 OD2 ASP A 85 0.959 -4.296 -11.033 1.00 0.00 O ATOM 0 H ASP A 85 2.185 -1.063 -10.582 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.550 -0.096 -11.181 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.117 -2.475 -11.288 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.254 -2.166 -12.334 1.00 0.00 H new ATOM 1337 N LEU A 86 0.562 -0.286 -8.349 1.00 0.00 N ATOM 1338 CA LEU A 86 0.337 -0.270 -6.909 1.00 0.00 C ATOM 1339 C LEU A 86 -1.053 0.249 -6.539 1.00 0.00 C ATOM 1340 O LEU A 86 -1.756 -0.365 -5.739 1.00 0.00 O ATOM 1341 CB LEU A 86 1.384 0.623 -6.237 1.00 0.00 C ATOM 1342 CG LEU A 86 2.766 -0.039 -6.298 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.359 0.113 -7.701 1.00 0.00 C ATOM 1344 CD2 LEU A 86 3.703 0.635 -5.291 1.00 0.00 C ATOM 0 H LEU A 86 1.424 0.173 -8.642 1.00 0.00 H new ATOM 0 HA LEU A 86 0.417 -1.300 -6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.416 1.594 -6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.105 0.804 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 86 2.659 -1.097 -6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.340 -0.360 -7.734 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.701 -0.364 -8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.458 1.172 -7.941 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.685 0.163 -5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.797 1.693 -5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.294 0.528 -4.286 1.00 0.00 H new ATOM 1356 N THR A 87 -1.429 1.398 -7.090 1.00 0.00 N ATOM 1357 CA THR A 87 -2.719 2.001 -6.760 1.00 0.00 C ATOM 1358 C THR A 87 -3.893 1.137 -7.210 1.00 0.00 C ATOM 1359 O THR A 87 -4.879 1.004 -6.484 1.00 0.00 O ATOM 1360 CB THR A 87 -2.828 3.386 -7.401 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.847 3.252 -8.816 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.629 4.241 -6.980 1.00 0.00 C ATOM 0 H THR A 87 -0.869 1.926 -7.759 1.00 0.00 H new ATOM 0 HA THR A 87 -2.767 2.086 -5.674 1.00 0.00 H new ATOM 0 HB THR A 87 -3.748 3.869 -7.071 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.919 4.138 -9.228 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.707 5.227 -7.437 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.618 4.344 -5.895 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.707 3.761 -7.308 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.799 0.550 -8.395 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.882 -0.287 -8.883 1.00 0.00 C ATOM 1372 C ASP A 88 -4.938 -1.576 -8.077 1.00 0.00 C ATOM 1373 O ASP A 88 -6.002 -1.984 -7.604 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.667 -0.604 -10.363 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.808 0.670 -11.191 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -5.264 1.660 -10.644 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -4.458 0.634 -12.359 1.00 0.00 O ATOM 0 H ASP A 88 -3.001 0.636 -9.024 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.826 0.245 -8.769 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.678 -1.037 -10.511 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.393 -1.346 -10.694 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.781 -2.202 -7.908 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.698 -3.434 -7.142 1.00 0.00 C ATOM 1384 C GLN A 89 -3.976 -3.158 -5.667 1.00 0.00 C ATOM 1385 O GLN A 89 -4.690 -3.916 -5.011 1.00 0.00 O ATOM 1386 CB GLN A 89 -2.312 -4.057 -7.315 1.00 0.00 C ATOM 1387 CG GLN A 89 -2.459 -5.571 -7.475 1.00 0.00 C ATOM 1388 CD GLN A 89 -1.102 -6.201 -7.754 1.00 0.00 C ATOM 1389 OE1 GLN A 89 -0.972 -7.425 -7.756 1.00 0.00 O ATOM 1390 NE2 GLN A 89 -0.075 -5.432 -7.995 1.00 0.00 N ATOM 0 H GLN A 89 -2.892 -1.878 -8.290 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.449 -4.134 -7.509 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.816 -3.633 -8.188 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.687 -3.829 -6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.889 -6.000 -6.570 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.147 -5.793 -8.291 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -0.185 -4.418 -7.993 1.00 0.00 H new ATOM 0 HE22 GLN A 89 0.838 -5.845 -8.186 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.417 -2.064 -5.150 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.633 -1.709 -3.752 1.00 0.00 C ATOM 1401 C LEU A 90 -5.122 -1.555 -3.466 1.00 0.00 C ATOM 1402 O LEU A 90 -5.639 -2.104 -2.493 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.909 -0.402 -3.426 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.202 0.004 -1.981 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.578 -1.013 -1.025 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.600 1.386 -1.714 1.00 0.00 C ATOM 0 H LEU A 90 -2.821 -1.419 -5.670 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.234 -2.508 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.835 -0.525 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.233 0.384 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.280 0.034 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.788 -0.722 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.001 -1.999 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.500 -1.044 -1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.806 1.680 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.522 1.350 -1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.042 2.113 -2.395 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.807 -0.808 -4.327 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.240 -0.590 -4.165 1.00 0.00 C ATOM 1420 C ALA A 91 -7.982 -1.919 -4.177 1.00 0.00 C ATOM 1421 O ALA A 91 -9.006 -2.078 -3.513 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.767 0.301 -5.292 1.00 0.00 C ATOM 0 H ALA A 91 -5.396 -0.346 -5.139 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.409 -0.097 -3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.838 0.457 -5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.254 1.262 -5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.585 -0.181 -6.252 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.458 -2.867 -4.945 1.00 0.00 N ATOM 1429 CA ASN A 92 -8.062 -4.186 -5.052 1.00 0.00 C ATOM 1430 C ASN A 92 -7.677 -5.065 -3.869 1.00 0.00 C ATOM 1431 O ASN A 92 -8.475 -5.875 -3.396 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.596 -4.846 -6.345 1.00 0.00 C ATOM 1433 CG ASN A 92 -8.276 -4.187 -7.539 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -7.934 -4.475 -8.687 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -9.227 -3.317 -7.337 1.00 0.00 N ATOM 0 H ASN A 92 -6.613 -2.744 -5.504 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.146 -4.071 -5.054 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.514 -4.759 -6.438 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.829 -5.911 -6.325 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.689 -2.873 -8.131 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.508 -3.080 -6.385 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.442 -4.910 -3.409 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.945 -5.703 -2.295 1.00 0.00 C ATOM 1444 C GLN A 93 -6.482 -5.198 -0.966 1.00 0.00 C ATOM 1445 O GLN A 93 -6.757 -5.982 -0.057 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.418 -5.657 -2.266 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.851 -6.438 -3.448 1.00 0.00 C ATOM 1448 CD GLN A 93 -4.354 -7.872 -3.415 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -4.242 -8.547 -2.391 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.908 -8.381 -4.476 1.00 0.00 N ATOM 0 H GLN A 93 -5.769 -4.244 -3.789 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.289 -6.727 -2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -4.076 -4.623 -2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.051 -6.079 -1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.146 -5.962 -4.383 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.762 -6.425 -3.413 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -4.999 -7.820 -5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.251 -9.341 -4.461 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.619 -3.886 -0.848 1.00 0.00 N ATOM 1460 CA LEU A 94 -7.107 -3.298 0.388 1.00 0.00 C ATOM 1461 C LEU A 94 -8.419 -3.963 0.819 1.00 0.00 C ATOM 1462 O LEU A 94 -8.485 -4.563 1.892 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.273 -1.788 0.198 1.00 0.00 C ATOM 1464 CG LEU A 94 -8.226 -1.217 1.253 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.820 -1.712 2.643 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -8.159 0.314 1.224 1.00 0.00 C ATOM 0 H LEU A 94 -6.402 -3.215 -1.585 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.384 -3.468 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.303 -1.297 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.659 -1.581 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.241 -1.547 1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.502 -1.302 3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.865 -2.801 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.803 -1.386 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.836 0.722 1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.141 0.638 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.452 0.672 0.237 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.447 -3.903 0.011 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.749 -4.547 0.338 1.00 0.00 C ATOM 1480 C PRO A 95 -10.554 -6.002 0.767 1.00 0.00 C ATOM 1481 O PRO A 95 -11.151 -6.462 1.739 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.551 -4.493 -0.971 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.674 -3.850 -2.002 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.490 -3.214 -1.279 1.00 0.00 C ATOM 0 HA PRO A 95 -11.250 -4.042 1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.843 -5.495 -1.285 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.469 -3.921 -0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.328 -4.590 -2.724 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.230 -3.097 -2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.563 -3.351 -1.835 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.630 -2.140 -1.153 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.710 -6.715 0.024 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.431 -8.118 0.316 1.00 0.00 C ATOM 1494 C GLN A 96 -8.805 -8.261 1.696 1.00 0.00 C ATOM 1495 O GLN A 96 -9.045 -9.242 2.400 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.475 -8.682 -0.734 1.00 0.00 C ATOM 1497 CG GLN A 96 -9.128 -8.607 -2.114 1.00 0.00 C ATOM 1498 CD GLN A 96 -8.152 -9.098 -3.178 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -7.027 -9.485 -2.860 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -8.513 -9.098 -4.432 1.00 0.00 N ATOM 0 H GLN A 96 -9.209 -6.344 -0.783 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.370 -8.671 0.294 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.542 -8.119 -0.731 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.224 -9.715 -0.495 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.033 -9.214 -2.131 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.428 -7.581 -2.329 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.445 -8.777 -4.694 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.863 -9.419 -5.150 1.00 0.00 H new ATOM 1509 N TRP A 97 -8.004 -7.274 2.078 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.352 -7.303 3.379 1.00 0.00 C ATOM 1511 C TRP A 97 -8.412 -7.319 4.474 1.00 0.00 C ATOM 1512 O TRP A 97 -8.257 -7.986 5.498 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.439 -6.087 3.526 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.391 -6.126 2.455 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -5.190 -7.156 1.595 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.405 -5.109 2.110 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -4.139 -6.838 0.754 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.624 -5.586 1.030 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -4.113 -3.832 2.625 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.592 -4.825 0.481 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -3.074 -3.062 2.073 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -2.315 -3.559 1.004 1.00 0.00 C ATOM 0 H TRP A 97 -7.792 -6.452 1.512 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.743 -8.202 3.467 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -7.021 -5.169 3.449 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.971 -6.086 4.510 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.758 -8.074 1.571 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.787 -7.453 0.020 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.691 -3.441 3.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -2.011 -5.212 -0.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.859 -2.083 2.475 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.517 -2.964 0.585 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.505 -6.609 4.228 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.616 -6.567 5.165 1.00 0.00 C ATOM 1535 C LEU A 98 -11.423 -7.854 5.063 1.00 0.00 C ATOM 1536 O LEU A 98 -12.057 -8.291 6.024 1.00 0.00 O ATOM 1537 CB LEU A 98 -11.518 -5.385 4.827 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.742 -4.082 5.005 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -11.555 -2.928 4.416 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -10.507 -3.835 6.497 1.00 0.00 C ATOM 0 H LEU A 98 -9.645 -6.053 3.384 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.228 -6.460 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.876 -5.470 3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.396 -5.388 5.473 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.782 -4.150 4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -11.005 -1.995 4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.727 -3.109 3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.512 -2.857 4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.953 -2.906 6.629 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.466 -3.762 7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.934 -4.662 6.917 1.00 0.00 H new ATOM 1552 N VAL A 99 -11.412 -8.432 3.867 1.00 0.00 N ATOM 1553 CA VAL A 99 -12.161 -9.654 3.593 1.00 0.00 C ATOM 1554 C VAL A 99 -11.258 -10.890 3.582 1.00 0.00 C ATOM 1555 O VAL A 99 -11.532 -11.851 2.865 1.00 0.00 O ATOM 1556 CB VAL A 99 -12.849 -9.523 2.233 1.00 0.00 C ATOM 1557 CG1 VAL A 99 -13.822 -10.685 2.032 1.00 0.00 C ATOM 1558 CG2 VAL A 99 -13.616 -8.197 2.175 1.00 0.00 C ATOM 0 H VAL A 99 -10.890 -8.072 3.068 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.895 -9.784 4.389 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.097 -9.544 1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.310 -10.588 1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.276 -11.628 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -14.575 -10.669 2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -14.107 -8.103 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -14.366 -8.176 2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -12.921 -7.368 2.312 1.00 0.00 H new ATOM 1568 N GLN A 100 -10.190 -10.870 4.374 1.00 0.00 N ATOM 1569 CA GLN A 100 -9.277 -12.013 4.424 1.00 0.00 C ATOM 1570 C GLN A 100 -9.990 -13.255 4.945 1.00 0.00 C ATOM 1571 O GLN A 100 -9.538 -13.885 5.901 1.00 0.00 O ATOM 1572 CB GLN A 100 -8.081 -11.703 5.324 1.00 0.00 C ATOM 1573 CG GLN A 100 -7.199 -10.651 4.656 1.00 0.00 C ATOM 1574 CD GLN A 100 -6.507 -11.247 3.433 1.00 0.00 C ATOM 1575 OE1 GLN A 100 -6.235 -12.447 3.395 1.00 0.00 O ATOM 1576 NE2 GLN A 100 -6.198 -10.474 2.426 1.00 0.00 N ATOM 0 H GLN A 100 -9.936 -10.091 4.981 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.927 -12.204 3.409 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.426 -11.342 6.293 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.506 -12.611 5.508 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.803 -9.793 4.360 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.454 -10.287 5.364 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.424 -9.480 2.458 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.731 -10.865 1.608 1.00 0.00 H new ATOM 1585 N GLN A 101 -11.105 -13.605 4.312 1.00 0.00 N ATOM 1586 CA GLN A 101 -11.867 -14.778 4.724 1.00 0.00 C ATOM 1587 C GLN A 101 -11.311 -16.035 4.062 1.00 0.00 C ATOM 1588 O GLN A 101 -11.813 -17.138 4.283 1.00 0.00 O ATOM 1589 CB GLN A 101 -13.337 -14.603 4.341 1.00 0.00 C ATOM 1590 CG GLN A 101 -13.900 -13.368 5.045 1.00 0.00 C ATOM 1591 CD GLN A 101 -15.354 -13.158 4.645 1.00 0.00 C ATOM 1592 OE1 GLN A 101 -15.788 -13.637 3.597 1.00 0.00 O ATOM 1593 NE2 GLN A 101 -16.138 -12.465 5.422 1.00 0.00 N ATOM 0 H GLN A 101 -11.498 -13.098 3.519 1.00 0.00 H new ATOM 0 HA GLN A 101 -11.784 -14.884 5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -13.433 -14.495 3.261 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -13.906 -15.488 4.624 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.825 -13.490 6.126 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.311 -12.489 4.782 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -15.776 -12.069 6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -17.113 -12.318 5.162 1.00 0.00 H new ATOM 1602 N GLU A 102 -10.274 -15.862 3.246 1.00 0.00 N ATOM 1603 CA GLU A 102 -9.661 -16.990 2.553 1.00 0.00 C ATOM 1604 C GLU A 102 -8.372 -17.423 3.244 1.00 0.00 C ATOM 1605 O GLU A 102 -7.582 -16.591 3.687 1.00 0.00 O ATOM 1606 CB GLU A 102 -9.358 -16.611 1.102 1.00 0.00 C ATOM 1607 CG GLU A 102 -10.669 -16.332 0.367 1.00 0.00 C ATOM 1608 CD GLU A 102 -11.530 -17.589 0.344 1.00 0.00 C ATOM 1609 OE1 GLU A 102 -10.977 -18.666 0.511 1.00 0.00 O ATOM 1610 OE2 GLU A 102 -12.728 -17.459 0.160 1.00 0.00 O ATOM 0 H GLU A 102 -9.844 -14.958 3.050 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.364 -17.822 2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -8.716 -15.731 1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.816 -17.418 0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.207 -15.522 0.860 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.462 -16.004 -0.652 1.00 0.00 H new ATOM 1617 N GLY A 103 -8.166 -18.733 3.318 1.00 0.00 N ATOM 1618 CA GLY A 103 -6.969 -19.276 3.944 1.00 0.00 C ATOM 1619 C GLY A 103 -6.065 -19.918 2.899 1.00 0.00 C ATOM 1620 O GLY A 103 -4.879 -20.140 3.139 1.00 0.00 O ATOM 0 H GLY A 103 -8.810 -19.435 2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.430 -18.482 4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.248 -20.015 4.696 1.00 0.00 H new ATOM 1624 N ILE A 104 -6.641 -20.214 1.739 1.00 0.00 N ATOM 1625 CA ILE A 104 -5.890 -20.834 0.654 1.00 0.00 C ATOM 1626 C ILE A 104 -5.695 -19.843 -0.490 1.00 0.00 C ATOM 1627 O ILE A 104 -6.623 -19.130 -0.867 1.00 0.00 O ATOM 1628 CB ILE A 104 -6.641 -22.062 0.138 1.00 0.00 C ATOM 1629 CG1 ILE A 104 -6.992 -22.977 1.313 1.00 0.00 C ATOM 1630 CG2 ILE A 104 -5.749 -22.827 -0.841 1.00 0.00 C ATOM 1631 CD1 ILE A 104 -8.035 -24.002 0.866 1.00 0.00 C ATOM 0 H ILE A 104 -7.622 -20.035 1.526 1.00 0.00 H new ATOM 0 HA ILE A 104 -4.914 -21.136 1.035 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.554 -21.743 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -6.097 -23.485 1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.379 -22.387 2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.282 -23.703 -1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.490 -22.180 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.839 -23.144 -0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -8.286 -24.654 1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -8.933 -23.484 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.631 -24.599 0.048 1.00 0.00 H new ATOM 1643 N PHE A 105 -4.485 -19.800 -1.041 1.00 0.00 N ATOM 1644 CA PHE A 105 -4.194 -18.887 -2.143 1.00 0.00 C ATOM 1645 C PHE A 105 -3.877 -19.665 -3.417 1.00 0.00 C ATOM 1646 O PHE A 105 -3.548 -20.834 -3.307 1.00 0.00 O ATOM 1647 CB PHE A 105 -3.007 -17.992 -1.779 1.00 0.00 C ATOM 1648 CG PHE A 105 -1.729 -18.790 -1.874 1.00 0.00 C ATOM 1649 CD1 PHE A 105 -1.364 -19.656 -0.837 1.00 0.00 C ATOM 1650 CD2 PHE A 105 -0.913 -18.669 -3.005 1.00 0.00 C ATOM 1651 CE1 PHE A 105 -0.181 -20.400 -0.930 1.00 0.00 C ATOM 1652 CE2 PHE A 105 0.269 -19.413 -3.099 1.00 0.00 C ATOM 1653 CZ PHE A 105 0.635 -20.280 -2.061 1.00 0.00 C ATOM 1654 OXT PHE A 105 -3.965 -19.079 -4.483 1.00 0.00 O ATOM 0 H PHE A 105 -3.698 -20.379 -0.747 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.074 -18.269 -2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.964 -17.135 -2.451 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.129 -17.600 -0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.994 -19.751 0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.196 -18.001 -3.805 1.00 0.00 H new ATOM 0 HE1 PHE A 105 0.102 -21.067 -0.129 1.00 0.00 H new ATOM 0 HE2 PHE A 105 0.899 -19.319 -3.971 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.546 -20.855 -2.133 1.00 0.00 H new TER 1664 PHE A 105