USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 723 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 53 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 65 THR OG1 : rot 175:sc= -0.471 USER MOD Set 2.1: A 37 CYS SG : rot -132:sc= -6.32! USER MOD Set 2.2: A 47 CYS SG : rot -60:sc= -4.7! USER MOD Set 3.1: A 27 GLN : amide:sc= -4.06! K(o=-7.8!,f=-0.86) USER MOD Set 3.2: A 32 TYR OH : rot -60:sc= -2.55! USER MOD Set 3.3: A 103 ASN : amide:sc= -1.23 K(o=-7.8,f=-0.86) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -3.76! USER MOD Single : A 10 SER OG : rot 50:sc= -6.66! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 87:sc= -1.56! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -170:sc=-0.00687 USER MOD Single : A 36 GLN : amide:sc= -16! C(o=-16!,f=-15!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.59! C(o=-5.6!,f=-21!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.356 K(o=-0.36,f=-2.7!) USER MOD Single : A 62 SER OG : rot 180:sc=-0.00222 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 100:sc= -1.74! USER MOD Single : A 72 SER OG : rot -45:sc= 0.187 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -2.31! C(o=-2.3!,f=-1.4!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -4.08! C(o=-4.1!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 2.838 13.159 -4.598 1.00 0.00 N ATOM 12 CA ALA A 2 3.525 11.988 -4.093 1.00 0.00 C ATOM 13 C ALA A 2 4.882 12.388 -3.532 1.00 0.00 C ATOM 14 O ALA A 2 5.785 12.749 -4.283 1.00 0.00 O ATOM 15 CB ALA A 2 3.683 10.968 -5.216 1.00 0.00 C ATOM 0 HA ALA A 2 2.941 11.537 -3.290 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.200 10.086 -4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.699 10.680 -5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.263 11.407 -6.028 1.00 0.00 H new ATOM 21 N PRO A 3 5.024 12.324 -2.206 1.00 0.00 N ATOM 22 CA PRO A 3 6.239 12.664 -1.498 1.00 0.00 C ATOM 23 C PRO A 3 7.286 11.584 -1.733 1.00 0.00 C ATOM 24 O PRO A 3 7.038 10.625 -2.460 1.00 0.00 O ATOM 25 CB PRO A 3 5.833 12.721 -0.027 1.00 0.00 C ATOM 26 CG PRO A 3 4.689 11.710 0.048 1.00 0.00 C ATOM 27 CD PRO A 3 3.983 11.904 -1.292 1.00 0.00 C ATOM 0 HA PRO A 3 6.673 13.607 -1.830 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.658 12.448 0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.510 13.720 0.265 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.056 10.691 0.169 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.025 11.911 0.889 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.512 10.980 -1.628 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.196 12.654 -1.219 1.00 0.00 H new ATOM 35 N THR A 4 8.460 11.743 -1.117 1.00 0.00 N ATOM 36 CA THR A 4 9.533 10.781 -1.266 1.00 0.00 C ATOM 37 C THR A 4 9.553 9.837 -0.073 1.00 0.00 C ATOM 38 O THR A 4 9.906 10.238 1.034 1.00 0.00 O ATOM 39 CB THR A 4 10.863 11.520 -1.393 1.00 0.00 C ATOM 40 OG1 THR A 4 11.060 11.904 -2.735 1.00 0.00 O ATOM 41 CG2 THR A 4 11.999 10.601 -0.954 1.00 0.00 C ATOM 0 H THR A 4 8.683 12.533 -0.511 1.00 0.00 H new ATOM 0 HA THR A 4 9.372 10.189 -2.167 1.00 0.00 H new ATOM 0 HB THR A 4 10.849 12.407 -0.760 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.913 12.380 -2.817 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.949 11.128 -1.044 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.846 10.304 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.015 9.714 -1.587 1.00 0.00 H new ATOM 49 N ALA A 5 9.173 8.578 -0.301 1.00 0.00 N ATOM 50 CA ALA A 5 9.148 7.584 0.753 1.00 0.00 C ATOM 51 C ALA A 5 9.999 6.387 0.354 1.00 0.00 C ATOM 52 O ALA A 5 10.244 6.165 -0.830 1.00 0.00 O ATOM 53 CB ALA A 5 7.706 7.159 1.016 1.00 0.00 C ATOM 0 H ALA A 5 8.879 8.230 -1.213 1.00 0.00 H new ATOM 0 HA ALA A 5 9.561 8.008 1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.686 6.411 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.121 8.027 1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.280 6.735 0.107 1.00 0.00 H new ATOM 59 N THR A 6 10.450 5.614 1.345 1.00 0.00 N ATOM 60 CA THR A 6 11.269 4.447 1.087 1.00 0.00 C ATOM 61 C THR A 6 10.653 3.225 1.752 1.00 0.00 C ATOM 62 O THR A 6 10.330 3.256 2.938 1.00 0.00 O ATOM 63 CB THR A 6 12.681 4.693 1.610 1.00 0.00 C ATOM 64 OG1 THR A 6 12.621 5.502 2.763 1.00 0.00 O ATOM 65 CG2 THR A 6 13.506 5.398 0.537 1.00 0.00 C ATOM 0 H THR A 6 10.257 5.783 2.332 1.00 0.00 H new ATOM 0 HA THR A 6 11.319 4.264 0.014 1.00 0.00 H new ATOM 0 HB THR A 6 13.147 3.740 1.859 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.528 5.659 3.100 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.515 5.574 0.911 1.00 0.00 H new ATOM 0 HG22 THR A 6 13.553 4.773 -0.355 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.040 6.351 0.288 1.00 0.00 H new ATOM 73 N VAL A 7 10.492 2.144 0.984 1.00 0.00 N ATOM 74 CA VAL A 7 9.917 0.918 1.500 1.00 0.00 C ATOM 75 C VAL A 7 10.925 -0.215 1.373 1.00 0.00 C ATOM 76 O VAL A 7 11.736 -0.227 0.449 1.00 0.00 O ATOM 77 CB VAL A 7 8.639 0.594 0.732 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.892 -0.586 -0.202 1.00 0.00 C ATOM 79 CG2 VAL A 7 7.531 0.234 1.718 1.00 0.00 C ATOM 0 H VAL A 7 10.756 2.102 -0.000 1.00 0.00 H new ATOM 0 HA VAL A 7 9.669 1.042 2.554 1.00 0.00 H new ATOM 0 HB VAL A 7 8.337 1.462 0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.979 -0.818 -0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.684 -0.330 -0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.194 -1.455 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.618 0.002 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.833 -0.634 2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.350 1.077 2.385 1.00 0.00 H new ATOM 89 N THR A 8 10.873 -1.171 2.304 1.00 0.00 N ATOM 90 CA THR A 8 11.781 -2.300 2.287 1.00 0.00 C ATOM 91 C THR A 8 11.467 -3.199 1.100 1.00 0.00 C ATOM 92 O THR A 8 10.411 -3.074 0.484 1.00 0.00 O ATOM 93 CB THR A 8 11.655 -3.072 3.598 1.00 0.00 C ATOM 94 OG1 THR A 8 12.941 -3.405 4.071 1.00 0.00 O ATOM 95 CG2 THR A 8 10.853 -4.348 3.362 1.00 0.00 C ATOM 0 H THR A 8 10.207 -1.178 3.077 1.00 0.00 H new ATOM 0 HA THR A 8 12.806 -1.945 2.186 1.00 0.00 H new ATOM 0 HB THR A 8 11.144 -2.454 4.337 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.862 -3.899 4.914 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.763 -4.899 4.298 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.859 -4.091 2.995 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.363 -4.967 2.624 1.00 0.00 H new ATOM 103 N PRO A 9 12.390 -4.110 0.781 1.00 0.00 N ATOM 104 CA PRO A 9 12.264 -5.050 -0.312 1.00 0.00 C ATOM 105 C PRO A 9 11.235 -6.113 0.044 1.00 0.00 C ATOM 106 O PRO A 9 11.422 -6.865 0.998 1.00 0.00 O ATOM 107 CB PRO A 9 13.655 -5.663 -0.464 1.00 0.00 C ATOM 108 CG PRO A 9 14.207 -5.604 0.960 1.00 0.00 C ATOM 109 CD PRO A 9 13.642 -4.286 1.484 1.00 0.00 C ATOM 0 HA PRO A 9 11.930 -4.582 -1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.608 -6.686 -0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.273 -5.097 -1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.876 -6.453 1.558 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.297 -5.611 0.973 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.487 -4.324 2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.324 -3.459 1.289 1.00 0.00 H new ATOM 117 N SER A 10 10.146 -6.174 -0.724 1.00 0.00 N ATOM 118 CA SER A 10 9.095 -7.143 -0.485 1.00 0.00 C ATOM 119 C SER A 10 8.762 -7.874 -1.778 1.00 0.00 C ATOM 120 O SER A 10 7.738 -8.547 -1.867 1.00 0.00 O ATOM 121 CB SER A 10 7.863 -6.431 0.066 1.00 0.00 C ATOM 122 OG SER A 10 7.612 -6.877 1.380 1.00 0.00 O ATOM 0 H SER A 10 9.976 -5.557 -1.518 1.00 0.00 H new ATOM 0 HA SER A 10 9.432 -7.877 0.247 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.020 -5.352 0.060 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.000 -6.631 -0.569 1.00 0.00 H new ATOM 0 HG SER A 10 8.437 -6.826 1.906 1.00 0.00 H new ATOM 128 N SER A 11 9.632 -7.741 -2.782 1.00 0.00 N ATOM 129 CA SER A 11 9.427 -8.390 -4.061 1.00 0.00 C ATOM 130 C SER A 11 9.995 -9.802 -4.021 1.00 0.00 C ATOM 131 O SER A 11 11.210 -9.986 -4.053 1.00 0.00 O ATOM 132 CB SER A 11 10.096 -7.569 -5.160 1.00 0.00 C ATOM 133 OG SER A 11 9.465 -6.311 -5.256 1.00 0.00 O ATOM 0 H SER A 11 10.486 -7.186 -2.725 1.00 0.00 H new ATOM 0 HA SER A 11 8.360 -8.455 -4.273 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.156 -7.441 -4.939 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.030 -8.095 -6.113 1.00 0.00 H new ATOM 0 HG SER A 11 9.895 -5.782 -5.960 1.00 0.00 H new ATOM 139 N GLY A 12 9.113 -10.801 -3.952 1.00 0.00 N ATOM 140 CA GLY A 12 9.534 -12.187 -3.910 1.00 0.00 C ATOM 141 C GLY A 12 9.513 -12.701 -2.477 1.00 0.00 C ATOM 142 O GLY A 12 10.127 -13.721 -2.171 1.00 0.00 O ATOM 0 H GLY A 12 8.102 -10.667 -3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.875 -12.794 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.538 -12.282 -4.323 1.00 0.00 H new ATOM 146 N LEU A 13 8.802 -11.991 -1.598 1.00 0.00 N ATOM 147 CA LEU A 13 8.703 -12.377 -0.204 1.00 0.00 C ATOM 148 C LEU A 13 7.318 -12.941 0.079 1.00 0.00 C ATOM 149 O LEU A 13 6.314 -12.354 -0.318 1.00 0.00 O ATOM 150 CB LEU A 13 8.985 -11.166 0.680 1.00 0.00 C ATOM 151 CG LEU A 13 10.044 -10.289 0.017 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.719 -9.420 1.075 1.00 0.00 C ATOM 153 CD2 LEU A 13 11.088 -11.173 -0.658 1.00 0.00 C ATOM 0 H LEU A 13 8.287 -11.143 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 13 9.439 -13.150 0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.070 -10.595 0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.329 -11.491 1.662 1.00 0.00 H new ATOM 0 HG LEU A 13 9.572 -9.651 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.475 -8.793 0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.973 -8.788 1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.191 -10.058 1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.844 -10.547 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.561 -11.812 0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.606 -11.793 -1.414 1.00 0.00 H new ATOM 165 N SER A 14 7.266 -14.082 0.769 1.00 0.00 N ATOM 166 CA SER A 14 6.006 -14.716 1.102 1.00 0.00 C ATOM 167 C SER A 14 5.473 -14.151 2.411 1.00 0.00 C ATOM 168 O SER A 14 6.099 -13.283 3.015 1.00 0.00 O ATOM 169 CB SER A 14 6.209 -16.225 1.206 1.00 0.00 C ATOM 170 OG SER A 14 7.139 -16.643 0.233 1.00 0.00 O ATOM 0 H SER A 14 8.090 -14.581 1.105 1.00 0.00 H new ATOM 0 HA SER A 14 5.275 -14.514 0.319 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.566 -16.487 2.202 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.260 -16.741 1.062 1.00 0.00 H new ATOM 0 HG SER A 14 7.271 -17.612 0.301 1.00 0.00 H new ATOM 176 N ASP A 15 4.314 -14.648 2.849 1.00 0.00 N ATOM 177 CA ASP A 15 3.705 -14.191 4.082 1.00 0.00 C ATOM 178 C ASP A 15 4.759 -14.104 5.176 1.00 0.00 C ATOM 179 O ASP A 15 5.752 -14.828 5.143 1.00 0.00 O ATOM 180 CB ASP A 15 2.588 -15.151 4.482 1.00 0.00 C ATOM 181 CG ASP A 15 1.524 -14.436 5.303 1.00 0.00 C ATOM 182 OD1 ASP A 15 1.897 -13.891 6.364 1.00 0.00 O ATOM 183 OD2 ASP A 15 0.358 -14.448 4.853 1.00 0.00 O ATOM 0 H ASP A 15 3.784 -15.369 2.360 1.00 0.00 H new ATOM 0 HA ASP A 15 3.279 -13.198 3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.135 -15.581 3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.003 -15.978 5.058 1.00 0.00 H new ATOM 188 N GLY A 16 4.544 -13.213 6.148 1.00 0.00 N ATOM 189 CA GLY A 16 5.478 -13.040 7.242 1.00 0.00 C ATOM 190 C GLY A 16 6.402 -11.862 6.966 1.00 0.00 C ATOM 191 O GLY A 16 6.965 -11.282 7.891 1.00 0.00 O ATOM 0 H GLY A 16 3.727 -12.604 6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.933 -12.874 8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.065 -13.948 7.375 1.00 0.00 H new ATOM 195 N THR A 17 6.556 -11.510 5.687 1.00 0.00 N ATOM 196 CA THR A 17 7.409 -10.404 5.301 1.00 0.00 C ATOM 197 C THR A 17 6.850 -9.100 5.851 1.00 0.00 C ATOM 198 O THR A 17 5.642 -8.967 6.032 1.00 0.00 O ATOM 199 CB THR A 17 7.510 -10.349 3.779 1.00 0.00 C ATOM 200 OG1 THR A 17 8.153 -11.512 3.308 1.00 0.00 O ATOM 201 CG2 THR A 17 8.316 -9.120 3.366 1.00 0.00 C ATOM 0 H THR A 17 6.097 -11.981 4.907 1.00 0.00 H new ATOM 0 HA THR A 17 8.407 -10.549 5.715 1.00 0.00 H new ATOM 0 HB THR A 17 6.509 -10.288 3.351 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.489 -12.220 3.171 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.388 -9.081 2.279 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.820 -8.220 3.730 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.317 -9.180 3.794 1.00 0.00 H new ATOM 209 N VAL A 18 7.734 -8.136 6.118 1.00 0.00 N ATOM 210 CA VAL A 18 7.328 -6.849 6.645 1.00 0.00 C ATOM 211 C VAL A 18 7.862 -5.736 5.756 1.00 0.00 C ATOM 212 O VAL A 18 9.072 -5.598 5.591 1.00 0.00 O ATOM 213 CB VAL A 18 7.847 -6.698 8.072 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.552 -5.353 8.218 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.676 -6.767 9.049 1.00 0.00 C ATOM 0 H VAL A 18 8.739 -8.232 5.974 1.00 0.00 H new ATOM 0 HA VAL A 18 6.240 -6.784 6.660 1.00 0.00 H new ATOM 0 HB VAL A 18 8.550 -7.502 8.289 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.923 -5.245 9.237 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.388 -5.303 7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.849 -4.548 8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.046 -6.659 10.069 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.973 -5.963 8.831 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.172 -7.728 8.946 1.00 0.00 H new ATOM 225 N VAL A 19 6.956 -4.940 5.183 1.00 0.00 N ATOM 226 CA VAL A 19 7.340 -3.845 4.315 1.00 0.00 C ATOM 227 C VAL A 19 7.399 -2.552 5.114 1.00 0.00 C ATOM 228 O VAL A 19 6.383 -2.092 5.631 1.00 0.00 O ATOM 229 CB VAL A 19 6.337 -3.729 3.171 1.00 0.00 C ATOM 230 CG1 VAL A 19 5.984 -5.122 2.660 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.073 -3.035 3.671 1.00 0.00 C ATOM 0 H VAL A 19 5.949 -5.041 5.311 1.00 0.00 H new ATOM 0 HA VAL A 19 8.328 -4.036 3.896 1.00 0.00 H new ATOM 0 HB VAL A 19 6.776 -3.146 2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.267 -5.039 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.886 -5.618 2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.545 -5.706 3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.356 -2.952 2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.634 -3.618 4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.325 -2.039 4.036 1.00 0.00 H new ATOM 241 N LYS A 20 8.594 -1.964 5.215 1.00 0.00 N ATOM 242 CA LYS A 20 8.777 -0.728 5.950 1.00 0.00 C ATOM 243 C LYS A 20 8.485 0.461 5.045 1.00 0.00 C ATOM 244 O LYS A 20 9.193 0.688 4.066 1.00 0.00 O ATOM 245 CB LYS A 20 10.204 -0.662 6.485 1.00 0.00 C ATOM 246 CG LYS A 20 10.184 -0.159 7.925 1.00 0.00 C ATOM 247 CD LYS A 20 10.468 1.340 7.945 1.00 0.00 C ATOM 248 CE LYS A 20 11.459 1.656 9.062 1.00 0.00 C ATOM 249 NZ LYS A 20 12.009 3.012 8.913 1.00 0.00 N ATOM 0 H LYS A 20 9.446 -2.332 4.793 1.00 0.00 H new ATOM 0 HA LYS A 20 8.085 -0.696 6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.667 -1.648 6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.806 0.002 5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.214 -0.362 8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.930 -0.689 8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.874 1.657 6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.542 1.894 8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.963 1.565 10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.270 0.928 9.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.680 3.201 9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.501 3.089 8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.235 3.706 8.948 1.00 0.00 H new ATOM 263 N VAL A 21 7.437 1.220 5.375 1.00 0.00 N ATOM 264 CA VAL A 21 7.057 2.380 4.594 1.00 0.00 C ATOM 265 C VAL A 21 7.516 3.648 5.298 1.00 0.00 C ATOM 266 O VAL A 21 7.100 3.922 6.422 1.00 0.00 O ATOM 267 CB VAL A 21 5.543 2.386 4.399 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.222 2.539 2.915 1.00 0.00 C ATOM 269 CG2 VAL A 21 4.959 1.074 4.913 1.00 0.00 C ATOM 0 H VAL A 21 6.840 1.044 6.183 1.00 0.00 H new ATOM 0 HA VAL A 21 7.536 2.339 3.616 1.00 0.00 H new ATOM 0 HB VAL A 21 5.109 3.219 4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.141 2.543 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.639 3.476 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.656 1.707 2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.878 1.078 4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.393 0.241 4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.188 0.964 5.973 1.00 0.00 H new ATOM 279 N ALA A 22 8.376 4.424 4.634 1.00 0.00 N ATOM 280 CA ALA A 22 8.887 5.657 5.198 1.00 0.00 C ATOM 281 C ALA A 22 8.741 6.786 4.187 1.00 0.00 C ATOM 282 O ALA A 22 9.322 6.731 3.105 1.00 0.00 O ATOM 283 CB ALA A 22 10.349 5.468 5.591 1.00 0.00 C ATOM 0 H ALA A 22 8.729 4.211 3.701 1.00 0.00 H new ATOM 0 HA ALA A 22 8.316 5.918 6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.734 6.395 6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.427 4.671 6.330 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.932 5.203 4.709 1.00 0.00 H new ATOM 289 N GLY A 23 7.964 7.812 4.541 1.00 0.00 N ATOM 290 CA GLY A 23 7.750 8.943 3.661 1.00 0.00 C ATOM 291 C GLY A 23 8.801 10.015 3.914 1.00 0.00 C ATOM 292 O GLY A 23 9.278 10.167 5.037 1.00 0.00 O ATOM 0 H GLY A 23 7.476 7.875 5.434 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.795 8.618 2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.754 9.355 3.823 1.00 0.00 H new ATOM 296 N ALA A 24 9.162 10.758 2.866 1.00 0.00 N ATOM 297 CA ALA A 24 10.154 11.808 2.978 1.00 0.00 C ATOM 298 C ALA A 24 9.789 12.962 2.055 1.00 0.00 C ATOM 299 O ALA A 24 9.856 12.829 0.835 1.00 0.00 O ATOM 300 CB ALA A 24 11.529 11.248 2.626 1.00 0.00 C ATOM 0 H ALA A 24 8.775 10.644 1.929 1.00 0.00 H new ATOM 0 HA ALA A 24 10.180 12.181 4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.276 12.038 2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.778 10.438 3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.516 10.868 1.605 1.00 0.00 H new ATOM 306 N GLY A 25 9.401 14.098 2.639 1.00 0.00 N ATOM 307 CA GLY A 25 9.029 15.265 1.864 1.00 0.00 C ATOM 308 C GLY A 25 7.514 15.373 1.768 1.00 0.00 C ATOM 309 O GLY A 25 6.992 16.098 0.924 1.00 0.00 O ATOM 0 H GLY A 25 9.339 14.226 3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.436 16.163 2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.460 15.199 0.865 1.00 0.00 H new ATOM 313 N LEU A 26 6.806 14.649 2.639 1.00 0.00 N ATOM 314 CA LEU A 26 5.357 14.666 2.649 1.00 0.00 C ATOM 315 C LEU A 26 4.861 15.770 3.572 1.00 0.00 C ATOM 316 O LEU A 26 5.645 16.371 4.303 1.00 0.00 O ATOM 317 CB LEU A 26 4.836 13.306 3.105 1.00 0.00 C ATOM 318 CG LEU A 26 5.982 12.298 3.110 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.746 12.402 4.426 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.419 10.888 2.958 1.00 0.00 C ATOM 0 H LEU A 26 7.223 14.044 3.346 1.00 0.00 H new ATOM 0 HA LEU A 26 4.985 14.865 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.404 13.386 4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.042 12.967 2.440 1.00 0.00 H new ATOM 0 HG LEU A 26 6.657 12.511 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.564 11.682 4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.148 13.409 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.072 12.189 5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.237 10.167 2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.744 10.675 3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.874 10.813 2.017 1.00 0.00 H new ATOM 332 N GLN A 27 3.553 16.037 3.536 1.00 0.00 N ATOM 333 CA GLN A 27 2.960 17.066 4.366 1.00 0.00 C ATOM 334 C GLN A 27 3.362 16.853 5.819 1.00 0.00 C ATOM 335 O GLN A 27 3.051 15.820 6.406 1.00 0.00 O ATOM 336 CB GLN A 27 1.442 17.028 4.214 1.00 0.00 C ATOM 337 CG GLN A 27 1.054 17.568 2.840 1.00 0.00 C ATOM 338 CD GLN A 27 1.016 16.450 1.809 1.00 0.00 C ATOM 339 OE1 GLN A 27 1.836 16.420 0.894 1.00 0.00 O ATOM 340 NE2 GLN A 27 0.060 15.530 1.957 1.00 0.00 N ATOM 0 H GLN A 27 2.890 15.548 2.935 1.00 0.00 H new ATOM 0 HA GLN A 27 3.320 18.045 4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.080 16.007 4.331 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.973 17.624 4.997 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.078 18.050 2.896 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.768 18.331 2.529 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.598 15.598 2.734 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.013 14.759 1.294 1.00 0.00 H new ATOM 349 N ALA A 28 4.056 17.837 6.398 1.00 0.00 N ATOM 350 CA ALA A 28 4.496 17.752 7.775 1.00 0.00 C ATOM 351 C ALA A 28 3.303 17.897 8.708 1.00 0.00 C ATOM 352 O ALA A 28 2.504 18.819 8.559 1.00 0.00 O ATOM 353 CB ALA A 28 5.529 18.843 8.046 1.00 0.00 C ATOM 0 H ALA A 28 4.321 18.701 5.924 1.00 0.00 H new ATOM 0 HA ALA A 28 4.956 16.780 7.954 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.861 18.780 9.082 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.383 18.708 7.382 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.081 19.821 7.867 1.00 0.00 H new ATOM 359 N GLY A 29 3.181 16.982 9.673 1.00 0.00 N ATOM 360 CA GLY A 29 2.085 17.017 10.620 1.00 0.00 C ATOM 361 C GLY A 29 0.810 16.496 9.971 1.00 0.00 C ATOM 362 O GLY A 29 -0.266 16.575 10.560 1.00 0.00 O ATOM 0 H GLY A 29 3.833 16.210 9.812 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.330 16.412 11.493 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.932 18.037 10.972 1.00 0.00 H new ATOM 366 N THR A 30 0.932 15.964 8.753 1.00 0.00 N ATOM 367 CA THR A 30 -0.210 15.435 8.036 1.00 0.00 C ATOM 368 C THR A 30 -0.318 13.935 8.267 1.00 0.00 C ATOM 369 O THR A 30 0.693 13.248 8.394 1.00 0.00 O ATOM 370 CB THR A 30 -0.061 15.743 6.548 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.073 16.642 6.152 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.186 14.451 5.746 1.00 0.00 C ATOM 0 H THR A 30 1.816 15.892 8.249 1.00 0.00 H new ATOM 0 HA THR A 30 -1.123 15.904 8.403 1.00 0.00 H new ATOM 0 HB THR A 30 0.916 16.191 6.365 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.079 16.719 5.175 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.080 14.670 4.684 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.595 13.755 6.053 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.163 14.003 5.928 1.00 0.00 H new ATOM 380 N ALA A 31 -1.552 13.426 8.321 1.00 0.00 N ATOM 381 CA ALA A 31 -1.788 12.013 8.537 1.00 0.00 C ATOM 382 C ALA A 31 -1.818 11.285 7.201 1.00 0.00 C ATOM 383 O ALA A 31 -2.177 11.871 6.181 1.00 0.00 O ATOM 384 CB ALA A 31 -3.105 11.827 9.285 1.00 0.00 C ATOM 0 H ALA A 31 -2.401 13.982 8.216 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.982 11.593 9.138 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.284 10.764 9.448 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.053 12.338 10.246 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.921 12.246 8.695 1.00 0.00 H new ATOM 390 N TYR A 32 -1.441 10.005 7.207 1.00 0.00 N ATOM 391 CA TYR A 32 -1.425 9.208 5.997 1.00 0.00 C ATOM 392 C TYR A 32 -1.961 7.814 6.290 1.00 0.00 C ATOM 393 O TYR A 32 -1.669 7.243 7.339 1.00 0.00 O ATOM 394 CB TYR A 32 -0.001 9.138 5.454 1.00 0.00 C ATOM 395 CG TYR A 32 0.441 10.402 4.756 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.223 10.834 3.602 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.516 11.142 5.264 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.187 12.006 2.956 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.925 12.315 4.618 1.00 0.00 C ATOM 400 CZ TYR A 32 1.261 12.747 3.464 1.00 0.00 C ATOM 401 OH TYR A 32 1.660 13.889 2.835 1.00 0.00 O ATOM 0 H TYR A 32 -1.143 9.504 8.044 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.064 9.670 5.244 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.683 8.929 6.276 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.073 8.303 4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.052 10.263 3.210 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.029 10.808 6.154 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.325 12.339 2.065 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.753 12.887 5.010 1.00 0.00 H new ATOM 0 HH TYR A 32 1.932 13.679 1.917 1.00 0.00 H new ATOM 411 N ASP A 33 -2.745 7.266 5.360 1.00 0.00 N ATOM 412 CA ASP A 33 -3.316 5.944 5.523 1.00 0.00 C ATOM 413 C ASP A 33 -2.565 4.947 4.653 1.00 0.00 C ATOM 414 O ASP A 33 -2.610 5.033 3.427 1.00 0.00 O ATOM 415 CB ASP A 33 -4.796 5.980 5.151 1.00 0.00 C ATOM 416 CG ASP A 33 -5.653 6.316 6.362 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.116 6.208 7.486 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.831 6.674 6.143 1.00 0.00 O ATOM 0 H ASP A 33 -2.995 7.726 4.485 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.224 5.630 6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.960 6.720 4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.096 5.014 4.745 1.00 0.00 H new ATOM 423 N VAL A 34 -1.872 3.999 5.289 1.00 0.00 N ATOM 424 CA VAL A 34 -1.116 2.993 4.571 1.00 0.00 C ATOM 425 C VAL A 34 -1.902 1.690 4.530 1.00 0.00 C ATOM 426 O VAL A 34 -2.624 1.369 5.471 1.00 0.00 O ATOM 427 CB VAL A 34 0.234 2.790 5.253 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.317 2.604 4.194 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.561 4.011 6.107 1.00 0.00 C ATOM 0 H VAL A 34 -1.825 3.915 6.304 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.944 3.323 3.546 1.00 0.00 H new ATOM 0 HB VAL A 34 0.191 1.904 5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.281 2.459 4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.084 1.731 3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.361 3.489 3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.525 3.866 6.594 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.604 4.897 5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.212 4.143 6.864 1.00 0.00 H new ATOM 439 N GLY A 35 -1.760 0.938 3.436 1.00 0.00 N ATOM 440 CA GLY A 35 -2.457 -0.323 3.284 1.00 0.00 C ATOM 441 C GLY A 35 -1.918 -1.082 2.080 1.00 0.00 C ATOM 442 O GLY A 35 -1.197 -0.519 1.259 1.00 0.00 O ATOM 0 H GLY A 35 -1.166 1.189 2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.336 -0.924 4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.525 -0.144 3.161 1.00 0.00 H new ATOM 446 N GLN A 36 -2.271 -2.366 1.975 1.00 0.00 N ATOM 447 CA GLN A 36 -1.821 -3.194 0.875 1.00 0.00 C ATOM 448 C GLN A 36 -2.999 -3.549 -0.021 1.00 0.00 C ATOM 449 O GLN A 36 -3.951 -4.186 0.426 1.00 0.00 O ATOM 450 CB GLN A 36 -1.162 -4.455 1.426 1.00 0.00 C ATOM 451 CG GLN A 36 -1.170 -5.544 0.357 1.00 0.00 C ATOM 452 CD GLN A 36 -0.762 -6.887 0.946 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.574 -7.566 1.569 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.502 -7.267 0.748 1.00 0.00 N ATOM 0 H GLN A 36 -2.870 -2.848 2.646 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.090 -2.647 0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.138 -4.239 1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.694 -4.798 2.313 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.165 -5.622 -0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.487 -5.273 -0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.139 -6.667 0.223 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.831 -8.157 1.121 1.00 0.00 H new ATOM 463 N CYS A 37 -2.934 -3.135 -1.288 1.00 0.00 N ATOM 464 CA CYS A 37 -3.992 -3.410 -2.239 1.00 0.00 C ATOM 465 C CYS A 37 -3.422 -4.138 -3.447 1.00 0.00 C ATOM 466 O CYS A 37 -2.273 -3.916 -3.823 1.00 0.00 O ATOM 467 CB CYS A 37 -4.652 -2.099 -2.658 1.00 0.00 C ATOM 468 SG CYS A 37 -4.522 -0.782 -1.423 1.00 0.00 S ATOM 0 H CYS A 37 -2.152 -2.606 -1.673 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.745 -4.049 -1.777 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.198 -1.757 -3.588 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.706 -2.285 -2.867 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.687 -0.231 -1.252 1.00 0.00 H new ATOM 473 N ALA A 38 -4.228 -5.011 -4.056 1.00 0.00 N ATOM 474 CA ALA A 38 -3.801 -5.767 -5.216 1.00 0.00 C ATOM 475 C ALA A 38 -4.754 -5.515 -6.375 1.00 0.00 C ATOM 476 O ALA A 38 -5.969 -5.522 -6.195 1.00 0.00 O ATOM 477 CB ALA A 38 -3.755 -7.252 -4.865 1.00 0.00 C ATOM 0 H ALA A 38 -5.183 -5.206 -3.756 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.803 -5.447 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.434 -7.822 -5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.051 -7.411 -4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.747 -7.585 -4.559 1.00 0.00 H new ATOM 483 N TRP A 39 -4.200 -5.293 -7.570 1.00 0.00 N ATOM 484 CA TRP A 39 -5.005 -5.042 -8.748 1.00 0.00 C ATOM 485 C TRP A 39 -5.809 -6.286 -9.100 1.00 0.00 C ATOM 486 O TRP A 39 -5.241 -7.349 -9.338 1.00 0.00 O ATOM 487 CB TRP A 39 -4.098 -4.639 -9.906 1.00 0.00 C ATOM 488 CG TRP A 39 -4.557 -5.097 -11.254 1.00 0.00 C ATOM 489 CD1 TRP A 39 -5.845 -5.250 -11.629 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.756 -5.467 -12.417 1.00 0.00 C ATOM 491 NE1 TRP A 39 -5.896 -5.687 -12.936 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.633 -5.838 -13.472 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.377 -5.527 -12.690 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.171 -6.246 -14.726 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -1.903 -5.935 -13.945 1.00 0.00 C ATOM 496 CH2 TRP A 39 -2.795 -6.295 -14.962 1.00 0.00 C ATOM 0 H TRP A 39 -3.194 -5.284 -7.738 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.702 -4.228 -8.549 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.010 -3.553 -9.918 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.100 -5.038 -9.723 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.703 -5.059 -11.002 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.760 -5.875 -13.444 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.671 -5.254 -11.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.869 -6.520 -15.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.839 -5.972 -14.129 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.421 -6.609 -15.925 1.00 0.00 H new ATOM 507 N VAL A 40 -7.137 -6.149 -9.131 1.00 0.00 N ATOM 508 CA VAL A 40 -8.012 -7.259 -9.453 1.00 0.00 C ATOM 509 C VAL A 40 -8.496 -7.133 -10.891 1.00 0.00 C ATOM 510 O VAL A 40 -8.524 -8.117 -11.627 1.00 0.00 O ATOM 511 CB VAL A 40 -9.192 -7.273 -8.485 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.716 -7.733 -7.110 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.777 -5.867 -8.377 1.00 0.00 C ATOM 0 H VAL A 40 -7.623 -5.274 -8.935 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.467 -8.198 -9.354 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.956 -7.958 -8.853 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.558 -7.743 -6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.297 -8.736 -7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.952 -7.048 -6.742 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.620 -5.876 -7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.013 -5.182 -8.009 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.116 -5.538 -9.359 1.00 0.00 H new ATOM 523 N ASP A 41 -8.876 -5.917 -11.291 1.00 0.00 N ATOM 524 CA ASP A 41 -9.355 -5.670 -12.635 1.00 0.00 C ATOM 525 C ASP A 41 -8.721 -4.399 -13.183 1.00 0.00 C ATOM 526 O ASP A 41 -8.147 -3.616 -12.430 1.00 0.00 O ATOM 527 CB ASP A 41 -10.877 -5.550 -12.618 1.00 0.00 C ATOM 528 CG ASP A 41 -11.521 -6.694 -13.388 1.00 0.00 C ATOM 529 OD1 ASP A 41 -10.809 -7.696 -13.616 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.712 -6.545 -13.736 1.00 0.00 O ATOM 0 H ASP A 41 -8.858 -5.091 -10.693 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.076 -6.501 -13.283 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.234 -5.553 -11.588 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.176 -4.598 -13.056 1.00 0.00 H new ATOM 535 N THR A 42 -8.824 -4.196 -14.498 1.00 0.00 N ATOM 536 CA THR A 42 -8.260 -3.022 -15.134 1.00 0.00 C ATOM 537 C THR A 42 -8.730 -1.766 -14.414 1.00 0.00 C ATOM 538 O THR A 42 -9.910 -1.423 -14.463 1.00 0.00 O ATOM 539 CB THR A 42 -8.675 -2.991 -16.602 1.00 0.00 C ATOM 540 OG1 THR A 42 -7.700 -2.301 -17.351 1.00 0.00 O ATOM 541 CG2 THR A 42 -10.018 -2.278 -16.736 1.00 0.00 C ATOM 0 H THR A 42 -9.295 -4.836 -15.137 1.00 0.00 H new ATOM 0 HA THR A 42 -7.172 -3.062 -15.078 1.00 0.00 H new ATOM 0 HB THR A 42 -8.766 -4.011 -16.976 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.965 -2.282 -18.294 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.315 -2.256 -17.785 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.772 -2.811 -16.157 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.927 -1.258 -16.363 1.00 0.00 H new ATOM 549 N GLY A 43 -7.803 -1.078 -13.743 1.00 0.00 N ATOM 550 CA GLY A 43 -8.131 0.134 -13.019 1.00 0.00 C ATOM 551 C GLY A 43 -8.934 -0.199 -11.770 1.00 0.00 C ATOM 552 O GLY A 43 -9.456 0.695 -11.107 1.00 0.00 O ATOM 0 H GLY A 43 -6.820 -1.347 -13.691 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.217 0.660 -12.743 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.703 0.805 -13.660 1.00 0.00 H new ATOM 556 N VAL A 44 -9.034 -1.491 -11.449 1.00 0.00 N ATOM 557 CA VAL A 44 -9.772 -1.936 -10.284 1.00 0.00 C ATOM 558 C VAL A 44 -8.865 -2.766 -9.387 1.00 0.00 C ATOM 559 O VAL A 44 -8.438 -3.853 -9.767 1.00 0.00 O ATOM 560 CB VAL A 44 -10.983 -2.750 -10.731 1.00 0.00 C ATOM 561 CG1 VAL A 44 -11.872 -3.042 -9.526 1.00 0.00 C ATOM 562 CG2 VAL A 44 -11.774 -1.958 -11.767 1.00 0.00 C ATOM 0 H VAL A 44 -8.608 -2.244 -11.988 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.121 -1.073 -9.717 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.647 -3.689 -11.171 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.737 -3.623 -9.845 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.307 -3.608 -8.786 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.208 -2.103 -9.086 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.639 -2.539 -12.086 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.110 -1.019 -11.328 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.139 -1.749 -12.628 1.00 0.00 H new ATOM 572 N LEU A 45 -8.572 -2.249 -8.191 1.00 0.00 N ATOM 573 CA LEU A 45 -7.719 -2.943 -7.246 1.00 0.00 C ATOM 574 C LEU A 45 -8.429 -3.068 -5.905 1.00 0.00 C ATOM 575 O LEU A 45 -9.083 -2.129 -5.456 1.00 0.00 O ATOM 576 CB LEU A 45 -6.405 -2.182 -7.093 1.00 0.00 C ATOM 577 CG LEU A 45 -6.519 -1.200 -5.931 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.122 -0.810 -5.456 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.267 0.048 -6.392 1.00 0.00 C ATOM 0 H LEU A 45 -8.919 -1.348 -7.861 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.502 -3.946 -7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.587 -2.880 -6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.173 -1.647 -8.014 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.064 -1.668 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.203 -0.108 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.587 -1.701 -5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.577 -0.341 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.349 0.750 -5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.722 0.517 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.265 -0.230 -6.732 1.00 0.00 H new ATOM 591 N ALA A 46 -8.297 -4.232 -5.265 1.00 0.00 N ATOM 592 CA ALA A 46 -8.925 -4.474 -3.982 1.00 0.00 C ATOM 593 C ALA A 46 -7.924 -4.225 -2.863 1.00 0.00 C ATOM 594 O ALA A 46 -6.738 -4.512 -3.014 1.00 0.00 O ATOM 595 CB ALA A 46 -9.446 -5.908 -3.933 1.00 0.00 C ATOM 0 H ALA A 46 -7.757 -5.019 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.765 -3.792 -3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.919 -6.091 -2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.176 -6.057 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.616 -6.602 -4.068 1.00 0.00 H new ATOM 601 N CYS A 47 -8.404 -3.690 -1.738 1.00 0.00 N ATOM 602 CA CYS A 47 -7.551 -3.406 -0.601 1.00 0.00 C ATOM 603 C CYS A 47 -7.819 -4.413 0.508 1.00 0.00 C ATOM 604 O CYS A 47 -8.881 -5.029 0.546 1.00 0.00 O ATOM 605 CB CYS A 47 -7.812 -1.983 -0.114 1.00 0.00 C ATOM 606 SG CYS A 47 -7.156 -0.700 -1.209 1.00 0.00 S ATOM 0 H CYS A 47 -9.385 -3.447 -1.598 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.505 -3.489 -0.896 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.887 -1.839 -0.005 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.372 -1.862 0.876 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.868 -0.838 -1.316 1.00 0.00 H new ATOM 611 N ASN A 48 -6.851 -4.581 1.412 1.00 0.00 N ATOM 612 CA ASN A 48 -6.989 -5.511 2.514 1.00 0.00 C ATOM 613 C ASN A 48 -6.988 -4.755 3.835 1.00 0.00 C ATOM 614 O ASN A 48 -5.968 -4.197 4.233 1.00 0.00 O ATOM 615 CB ASN A 48 -5.847 -6.522 2.470 1.00 0.00 C ATOM 616 CG ASN A 48 -5.843 -7.393 3.718 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.843 -7.463 4.430 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.717 -8.058 3.982 1.00 0.00 N ATOM 0 H ASN A 48 -5.963 -4.079 1.394 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.935 -6.045 2.426 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.946 -7.150 1.584 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.895 -5.998 2.385 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.660 -8.657 4.805 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.913 -7.967 3.360 1.00 0.00 H new ATOM 625 N PRO A 49 -8.137 -4.737 4.514 1.00 0.00 N ATOM 626 CA PRO A 49 -8.323 -4.072 5.786 1.00 0.00 C ATOM 627 C PRO A 49 -7.606 -4.851 6.879 1.00 0.00 C ATOM 628 O PRO A 49 -7.644 -4.466 8.046 1.00 0.00 O ATOM 629 CB PRO A 49 -9.833 -4.075 6.012 1.00 0.00 C ATOM 630 CG PRO A 49 -10.281 -5.344 5.289 1.00 0.00 C ATOM 631 CD PRO A 49 -9.355 -5.382 4.075 1.00 0.00 C ATOM 0 HA PRO A 49 -7.918 -3.060 5.799 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.083 -4.104 7.073 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.306 -3.185 5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.165 -6.229 5.915 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.330 -5.295 4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.166 -6.407 3.755 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.795 -4.859 3.226 1.00 0.00 H new ATOM 639 N ALA A 50 -6.952 -5.951 6.500 1.00 0.00 N ATOM 640 CA ALA A 50 -6.234 -6.779 7.447 1.00 0.00 C ATOM 641 C ALA A 50 -4.800 -6.286 7.579 1.00 0.00 C ATOM 642 O ALA A 50 -4.073 -6.717 8.472 1.00 0.00 O ATOM 643 CB ALA A 50 -6.266 -8.231 6.979 1.00 0.00 C ATOM 0 H ALA A 50 -6.910 -6.283 5.536 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.710 -6.716 8.425 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.726 -8.855 7.691 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.300 -8.569 6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.795 -8.308 5.999 1.00 0.00 H new ATOM 649 N ASP A 51 -4.394 -5.380 6.687 1.00 0.00 N ATOM 650 CA ASP A 51 -3.051 -4.835 6.708 1.00 0.00 C ATOM 651 C ASP A 51 -3.109 -3.318 6.609 1.00 0.00 C ATOM 652 O ASP A 51 -2.180 -2.691 6.105 1.00 0.00 O ATOM 653 CB ASP A 51 -2.247 -5.422 5.552 1.00 0.00 C ATOM 654 CG ASP A 51 -3.017 -5.312 4.243 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.649 -4.253 4.044 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.958 -6.290 3.466 1.00 0.00 O ATOM 0 H ASP A 51 -4.985 -5.012 5.941 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.561 -5.100 7.645 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.295 -4.899 5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.018 -6.468 5.757 1.00 0.00 H new ATOM 661 N PHE A 52 -4.205 -2.727 7.092 1.00 0.00 N ATOM 662 CA PHE A 52 -4.375 -1.289 7.055 1.00 0.00 C ATOM 663 C PHE A 52 -3.638 -0.650 8.223 1.00 0.00 C ATOM 664 O PHE A 52 -4.099 -0.715 9.361 1.00 0.00 O ATOM 665 CB PHE A 52 -5.863 -0.953 7.104 1.00 0.00 C ATOM 666 CG PHE A 52 -6.398 -0.390 5.809 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.552 0.328 4.956 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.741 -0.584 5.463 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.048 0.851 3.756 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.237 -0.060 4.263 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.390 0.657 3.409 1.00 0.00 C ATOM 0 H PHE A 52 -4.985 -3.232 7.513 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.956 -0.893 6.130 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.422 -1.854 7.358 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.038 -0.233 7.903 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.517 0.479 5.224 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.394 -1.138 6.121 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.395 1.404 3.098 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.273 -0.209 3.996 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.772 1.060 2.483 1.00 0.00 H new ATOM 681 N SER A 53 -2.490 -0.031 7.940 1.00 0.00 N ATOM 682 CA SER A 53 -1.698 0.615 8.967 1.00 0.00 C ATOM 683 C SER A 53 -1.934 2.118 8.932 1.00 0.00 C ATOM 684 O SER A 53 -2.624 2.620 8.047 1.00 0.00 O ATOM 685 CB SER A 53 -0.222 0.295 8.747 1.00 0.00 C ATOM 686 OG SER A 53 0.481 0.466 9.957 1.00 0.00 O ATOM 0 H SER A 53 -2.094 0.032 7.002 1.00 0.00 H new ATOM 0 HA SER A 53 -1.995 0.243 9.948 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.110 -0.729 8.390 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.192 0.947 7.978 1.00 0.00 H new ATOM 0 HG SER A 53 1.429 0.259 9.817 1.00 0.00 H new ATOM 692 N SER A 54 -1.359 2.837 9.899 1.00 0.00 N ATOM 693 CA SER A 54 -1.509 4.276 9.972 1.00 0.00 C ATOM 694 C SER A 54 -0.232 4.902 10.516 1.00 0.00 C ATOM 695 O SER A 54 0.538 4.242 11.210 1.00 0.00 O ATOM 696 CB SER A 54 -2.700 4.619 10.863 1.00 0.00 C ATOM 697 OG SER A 54 -2.465 4.137 12.167 1.00 0.00 O ATOM 0 H SER A 54 -0.785 2.436 10.641 1.00 0.00 H new ATOM 0 HA SER A 54 -1.690 4.676 8.975 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.853 5.698 10.885 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.610 4.176 10.458 1.00 0.00 H new ATOM 0 HG SER A 54 -3.229 4.358 12.740 1.00 0.00 H new ATOM 703 N VAL A 55 -0.009 6.179 10.198 1.00 0.00 N ATOM 704 CA VAL A 55 1.169 6.887 10.655 1.00 0.00 C ATOM 705 C VAL A 55 0.993 8.382 10.428 1.00 0.00 C ATOM 706 O VAL A 55 0.173 8.795 9.611 1.00 0.00 O ATOM 707 CB VAL A 55 2.395 6.367 9.909 1.00 0.00 C ATOM 708 CG1 VAL A 55 2.147 6.446 8.406 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.609 7.220 10.270 1.00 0.00 C ATOM 0 H VAL A 55 -0.638 6.739 9.622 1.00 0.00 H new ATOM 0 HA VAL A 55 1.310 6.716 11.722 1.00 0.00 H new ATOM 0 HB VAL A 55 2.581 5.331 10.192 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.022 6.075 7.873 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.280 5.838 8.148 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.961 7.482 8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.485 6.850 9.738 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.423 8.256 9.986 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.786 7.164 11.344 1.00 0.00 H new ATOM 719 N THR A 56 1.765 9.194 11.154 1.00 0.00 N ATOM 720 CA THR A 56 1.688 10.635 11.024 1.00 0.00 C ATOM 721 C THR A 56 3.074 11.208 10.766 1.00 0.00 C ATOM 722 O THR A 56 4.052 10.766 11.364 1.00 0.00 O ATOM 723 CB THR A 56 1.086 11.228 12.295 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.096 10.533 12.623 1.00 0.00 O ATOM 725 CG2 THR A 56 0.763 12.701 12.065 1.00 0.00 C ATOM 0 H THR A 56 2.449 8.869 11.837 1.00 0.00 H new ATOM 0 HA THR A 56 1.049 10.892 10.179 1.00 0.00 H new ATOM 0 HB THR A 56 1.800 11.136 13.113 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.482 10.912 13.440 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.333 13.125 12.972 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.677 13.238 11.811 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.048 12.793 11.247 1.00 0.00 H new ATOM 733 N ALA A 57 3.155 12.195 9.871 1.00 0.00 N ATOM 734 CA ALA A 57 4.418 12.823 9.537 1.00 0.00 C ATOM 735 C ALA A 57 4.785 13.843 10.606 1.00 0.00 C ATOM 736 O ALA A 57 3.919 14.552 11.113 1.00 0.00 O ATOM 737 CB ALA A 57 4.308 13.488 8.169 1.00 0.00 C ATOM 0 H ALA A 57 2.352 12.572 9.367 1.00 0.00 H new ATOM 0 HA ALA A 57 5.205 12.070 9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.257 13.961 7.917 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.066 12.736 7.418 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.522 14.243 8.194 1.00 0.00 H new ATOM 743 N ASP A 58 6.073 13.915 10.947 1.00 0.00 N ATOM 744 CA ASP A 58 6.546 14.845 11.953 1.00 0.00 C ATOM 745 C ASP A 58 6.746 16.219 11.330 1.00 0.00 C ATOM 746 O ASP A 58 6.378 16.439 10.178 1.00 0.00 O ATOM 747 CB ASP A 58 7.851 14.326 12.550 1.00 0.00 C ATOM 748 CG ASP A 58 8.913 14.159 11.473 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.771 14.828 10.427 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.848 13.364 11.715 1.00 0.00 O ATOM 0 H ASP A 58 6.803 13.335 10.535 1.00 0.00 H new ATOM 0 HA ASP A 58 5.807 14.933 12.750 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.207 15.018 13.313 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.675 13.370 13.044 1.00 0.00 H new ATOM 755 N ALA A 59 7.331 17.144 12.094 1.00 0.00 N ATOM 756 CA ALA A 59 7.575 18.489 11.615 1.00 0.00 C ATOM 757 C ALA A 59 8.522 18.448 10.424 1.00 0.00 C ATOM 758 O ALA A 59 8.480 19.326 9.565 1.00 0.00 O ATOM 759 CB ALA A 59 8.162 19.332 12.744 1.00 0.00 C ATOM 0 H ALA A 59 7.643 16.976 13.051 1.00 0.00 H new ATOM 0 HA ALA A 59 6.637 18.940 11.293 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.346 20.344 12.384 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.459 19.365 13.577 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.100 18.890 13.078 1.00 0.00 H new ATOM 765 N ASN A 60 9.378 17.425 10.374 1.00 0.00 N ATOM 766 CA ASN A 60 10.328 17.277 9.290 1.00 0.00 C ATOM 767 C ASN A 60 9.614 16.792 8.037 1.00 0.00 C ATOM 768 O ASN A 60 10.211 16.727 6.965 1.00 0.00 O ATOM 769 CB ASN A 60 11.421 16.296 9.704 1.00 0.00 C ATOM 770 CG ASN A 60 12.800 16.842 9.363 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.968 18.049 9.198 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.788 15.951 9.258 1.00 0.00 N ATOM 0 H ASN A 60 9.426 16.689 11.078 1.00 0.00 H new ATOM 0 HA ASN A 60 10.786 18.241 9.070 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.356 16.104 10.775 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.269 15.342 9.200 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.733 16.262 9.032 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.598 14.960 9.404 1.00 0.00 H new ATOM 779 N GLY A 61 8.331 16.450 8.174 1.00 0.00 N ATOM 780 CA GLY A 61 7.547 15.973 7.052 1.00 0.00 C ATOM 781 C GLY A 61 7.933 14.541 6.708 1.00 0.00 C ATOM 782 O GLY A 61 7.861 14.137 5.550 1.00 0.00 O ATOM 0 H GLY A 61 7.820 16.498 9.055 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.485 16.022 7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.707 16.618 6.188 1.00 0.00 H new ATOM 786 N SER A 62 8.344 13.774 7.720 1.00 0.00 N ATOM 787 CA SER A 62 8.738 12.394 7.521 1.00 0.00 C ATOM 788 C SER A 62 7.937 11.489 8.447 1.00 0.00 C ATOM 789 O SER A 62 7.762 11.801 9.623 1.00 0.00 O ATOM 790 CB SER A 62 10.234 12.250 7.784 1.00 0.00 C ATOM 791 OG SER A 62 10.520 12.657 9.103 1.00 0.00 O ATOM 0 H SER A 62 8.410 14.095 8.686 1.00 0.00 H new ATOM 0 HA SER A 62 8.533 12.098 6.492 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.542 11.215 7.636 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.799 12.855 7.075 1.00 0.00 H new ATOM 0 HG SER A 62 11.481 12.563 9.273 1.00 0.00 H new ATOM 797 N ALA A 63 7.453 10.365 7.914 1.00 0.00 N ATOM 798 CA ALA A 63 6.675 9.423 8.693 1.00 0.00 C ATOM 799 C ALA A 63 7.330 8.050 8.643 1.00 0.00 C ATOM 800 O ALA A 63 8.088 7.754 7.722 1.00 0.00 O ATOM 801 CB ALA A 63 5.252 9.364 8.145 1.00 0.00 C ATOM 0 H ALA A 63 7.592 10.092 6.941 1.00 0.00 H new ATOM 0 HA ALA A 63 6.636 9.748 9.733 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.666 8.656 8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.796 10.352 8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.276 9.042 7.104 1.00 0.00 H new ATOM 807 N SER A 64 7.035 7.209 9.638 1.00 0.00 N ATOM 808 CA SER A 64 7.594 5.874 9.700 1.00 0.00 C ATOM 809 C SER A 64 6.518 4.882 10.116 1.00 0.00 C ATOM 810 O SER A 64 5.861 5.066 11.138 1.00 0.00 O ATOM 811 CB SER A 64 8.757 5.857 10.689 1.00 0.00 C ATOM 812 OG SER A 64 9.102 7.181 11.032 1.00 0.00 O ATOM 0 H SER A 64 6.409 7.439 10.410 1.00 0.00 H new ATOM 0 HA SER A 64 7.965 5.585 8.717 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.480 5.299 11.583 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.615 5.349 10.249 1.00 0.00 H new ATOM 0 HG SER A 64 9.847 7.170 11.668 1.00 0.00 H new ATOM 818 N THR A 65 6.338 3.825 9.320 1.00 0.00 N ATOM 819 CA THR A 65 5.344 2.812 9.613 1.00 0.00 C ATOM 820 C THR A 65 5.799 1.466 9.068 1.00 0.00 C ATOM 821 O THR A 65 6.677 1.405 8.209 1.00 0.00 O ATOM 822 CB THR A 65 4.008 3.219 9.000 1.00 0.00 C ATOM 823 OG1 THR A 65 2.981 3.038 9.949 1.00 0.00 O ATOM 824 CG2 THR A 65 3.726 2.355 7.774 1.00 0.00 C ATOM 0 H THR A 65 6.873 3.656 8.468 1.00 0.00 H new ATOM 0 HA THR A 65 5.222 2.721 10.692 1.00 0.00 H new ATOM 0 HB THR A 65 4.049 4.267 8.704 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.136 3.375 9.585 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.771 2.646 7.336 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.520 2.495 7.040 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.685 1.307 8.069 1.00 0.00 H new ATOM 832 N SER A 66 5.200 0.384 9.570 1.00 0.00 N ATOM 833 CA SER A 66 5.544 -0.953 9.131 1.00 0.00 C ATOM 834 C SER A 66 4.292 -1.684 8.668 1.00 0.00 C ATOM 835 O SER A 66 3.450 -2.055 9.483 1.00 0.00 O ATOM 836 CB SER A 66 6.218 -1.705 10.275 1.00 0.00 C ATOM 837 OG SER A 66 6.597 -0.791 11.279 1.00 0.00 O ATOM 0 H SER A 66 4.472 0.417 10.284 1.00 0.00 H new ATOM 0 HA SER A 66 6.237 -0.897 8.292 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.537 -2.451 10.685 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.093 -2.241 9.907 1.00 0.00 H new ATOM 0 HG SER A 66 7.028 -1.274 12.015 1.00 0.00 H new ATOM 843 N LEU A 67 4.171 -1.891 7.354 1.00 0.00 N ATOM 844 CA LEU A 67 3.025 -2.576 6.790 1.00 0.00 C ATOM 845 C LEU A 67 3.350 -4.050 6.595 1.00 0.00 C ATOM 846 O LEU A 67 4.517 -4.425 6.506 1.00 0.00 O ATOM 847 CB LEU A 67 2.647 -1.925 5.463 1.00 0.00 C ATOM 848 CG LEU A 67 1.187 -2.233 5.144 1.00 0.00 C ATOM 849 CD1 LEU A 67 0.461 -0.940 4.783 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.117 -3.202 3.967 1.00 0.00 C ATOM 0 H LEU A 67 4.860 -1.589 6.666 1.00 0.00 H new ATOM 0 HA LEU A 67 2.178 -2.499 7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.799 -0.847 5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.291 -2.297 4.666 1.00 0.00 H new ATOM 0 HG LEU A 67 0.712 -2.685 6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.582 -1.160 4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.511 -0.248 5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.935 -0.487 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.074 -3.422 3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.592 -2.751 3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.635 -4.126 4.225 1.00 0.00 H new ATOM 862 N THR A 68 2.313 -4.888 6.526 1.00 0.00 N ATOM 863 CA THR A 68 2.496 -6.313 6.341 1.00 0.00 C ATOM 864 C THR A 68 2.088 -6.709 4.929 1.00 0.00 C ATOM 865 O THR A 68 1.098 -6.207 4.402 1.00 0.00 O ATOM 866 CB THR A 68 1.669 -7.071 7.375 1.00 0.00 C ATOM 867 OG1 THR A 68 1.283 -8.319 6.845 1.00 0.00 O ATOM 868 CG2 THR A 68 0.425 -6.260 7.725 1.00 0.00 C ATOM 0 H THR A 68 1.339 -4.595 6.597 1.00 0.00 H new ATOM 0 HA THR A 68 3.547 -6.567 6.478 1.00 0.00 H new ATOM 0 HB THR A 68 2.266 -7.227 8.274 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.877 -9.018 7.189 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.166 -6.801 8.464 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.723 -5.295 8.135 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.172 -6.104 6.827 1.00 0.00 H new ATOM 876 N VAL A 69 2.855 -7.614 4.317 1.00 0.00 N ATOM 877 CA VAL A 69 2.571 -8.074 2.972 1.00 0.00 C ATOM 878 C VAL A 69 2.092 -9.518 3.012 1.00 0.00 C ATOM 879 O VAL A 69 2.787 -10.391 3.526 1.00 0.00 O ATOM 880 CB VAL A 69 3.827 -7.944 2.116 1.00 0.00 C ATOM 881 CG1 VAL A 69 5.057 -7.902 3.018 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.927 -9.142 1.176 1.00 0.00 C ATOM 0 H VAL A 69 3.679 -8.040 4.741 1.00 0.00 H new ATOM 0 HA VAL A 69 1.783 -7.463 2.532 1.00 0.00 H new ATOM 0 HB VAL A 69 3.774 -7.025 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.954 -7.809 2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.986 -7.047 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.111 -8.820 3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.824 -9.050 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.979 -10.060 1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.049 -9.172 0.531 1.00 0.00 H new ATOM 892 N ARG A 70 0.899 -9.768 2.467 1.00 0.00 N ATOM 893 CA ARG A 70 0.333 -11.101 2.444 1.00 0.00 C ATOM 894 C ARG A 70 0.328 -11.634 1.018 1.00 0.00 C ATOM 895 O ARG A 70 0.371 -10.861 0.064 1.00 0.00 O ATOM 896 CB ARG A 70 -1.083 -11.062 3.010 1.00 0.00 C ATOM 897 CG ARG A 70 -1.043 -11.382 4.502 1.00 0.00 C ATOM 898 CD ARG A 70 0.058 -10.562 5.169 1.00 0.00 C ATOM 899 NE ARG A 70 -0.247 -10.322 6.579 1.00 0.00 N ATOM 900 CZ ARG A 70 0.034 -11.209 7.544 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.619 -12.374 7.233 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.271 -10.932 8.819 1.00 0.00 N ATOM 0 H ARG A 70 0.311 -9.055 2.036 1.00 0.00 H new ATOM 0 HA ARG A 70 0.938 -11.767 3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.523 -10.078 2.850 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.714 -11.782 2.489 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.007 -11.157 4.959 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.860 -12.446 4.652 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.009 -11.087 5.084 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.172 -9.610 4.651 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.693 -9.442 6.839 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.850 -12.585 6.262 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.833 -13.049 7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.717 -10.046 9.056 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.057 -11.607 9.553 1.00 0.00 H new ATOM 916 N ARG A 71 0.276 -12.961 0.875 1.00 0.00 N ATOM 917 CA ARG A 71 0.266 -13.589 -0.430 1.00 0.00 C ATOM 918 C ARG A 71 -1.164 -13.702 -0.938 1.00 0.00 C ATOM 919 O ARG A 71 -1.387 -13.980 -2.114 1.00 0.00 O ATOM 920 CB ARG A 71 0.916 -14.967 -0.335 1.00 0.00 C ATOM 921 CG ARG A 71 2.261 -14.946 -1.054 1.00 0.00 C ATOM 922 CD ARG A 71 2.700 -16.377 -1.355 1.00 0.00 C ATOM 923 NE ARG A 71 3.118 -17.066 -0.134 1.00 0.00 N ATOM 924 CZ ARG A 71 3.507 -18.348 -0.121 1.00 0.00 C ATOM 925 NH1 ARG A 71 3.526 -19.054 -1.260 1.00 0.00 N ATOM 926 NH2 ARG A 71 3.878 -18.924 1.031 1.00 0.00 N ATOM 0 H ARG A 71 0.240 -13.616 1.656 1.00 0.00 H new ATOM 0 HA ARG A 71 0.833 -12.981 -1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.055 -15.244 0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.265 -15.719 -0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.182 -14.376 -1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.008 -14.448 -0.436 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.879 -16.922 -1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.523 -16.366 -2.070 1.00 0.00 H new ATOM 0 HE ARG A 71 3.113 -16.548 0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.244 -18.615 -2.137 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.822 -20.030 -1.250 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.864 -18.386 1.898 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.174 -19.900 1.041 1.00 0.00 H new ATOM 940 N SER A 72 -2.134 -13.484 -0.048 1.00 0.00 N ATOM 941 CA SER A 72 -3.535 -13.560 -0.411 1.00 0.00 C ATOM 942 C SER A 72 -4.383 -12.881 0.655 1.00 0.00 C ATOM 943 O SER A 72 -4.057 -12.936 1.839 1.00 0.00 O ATOM 944 CB SER A 72 -3.939 -15.023 -0.572 1.00 0.00 C ATOM 945 OG SER A 72 -2.947 -15.705 -1.308 1.00 0.00 O ATOM 0 H SER A 72 -1.966 -13.253 0.931 1.00 0.00 H new ATOM 0 HA SER A 72 -3.697 -13.045 -1.358 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.065 -15.487 0.406 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.899 -15.092 -1.083 1.00 0.00 H new ATOM 0 HG SER A 72 -2.684 -15.164 -2.082 1.00 0.00 H new ATOM 951 N PHE A 73 -5.475 -12.240 0.233 1.00 0.00 N ATOM 952 CA PHE A 73 -6.362 -11.557 1.153 1.00 0.00 C ATOM 953 C PHE A 73 -7.547 -10.977 0.393 1.00 0.00 C ATOM 954 O PHE A 73 -7.427 -10.634 -0.781 1.00 0.00 O ATOM 955 CB PHE A 73 -5.592 -10.456 1.877 1.00 0.00 C ATOM 956 CG PHE A 73 -4.677 -9.665 0.972 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.214 -8.741 0.068 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.292 -9.859 1.036 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.366 -8.010 -0.772 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.444 -9.127 0.195 1.00 0.00 C ATOM 961 CZ PHE A 73 -2.981 -8.203 -0.708 1.00 0.00 C ATOM 0 H PHE A 73 -5.760 -12.185 -0.745 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.741 -12.263 1.892 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.302 -9.776 2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.001 -10.902 2.677 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.283 -8.592 0.019 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.878 -10.572 1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.780 -7.297 -1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.375 -9.276 0.244 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.327 -7.638 -1.356 1.00 0.00 H new ATOM 971 N GLU A 74 -8.695 -10.867 1.067 1.00 0.00 N ATOM 972 CA GLU A 74 -9.891 -10.329 0.451 1.00 0.00 C ATOM 973 C GLU A 74 -9.593 -8.967 -0.161 1.00 0.00 C ATOM 974 O GLU A 74 -9.309 -8.010 0.556 1.00 0.00 O ATOM 975 CB GLU A 74 -10.996 -10.221 1.498 1.00 0.00 C ATOM 976 CG GLU A 74 -10.500 -9.389 2.677 1.00 0.00 C ATOM 977 CD GLU A 74 -10.718 -10.125 3.991 1.00 0.00 C ATOM 978 OE1 GLU A 74 -9.909 -11.036 4.272 1.00 0.00 O ATOM 979 OE2 GLU A 74 -11.689 -9.763 4.690 1.00 0.00 O ATOM 0 H GLU A 74 -8.812 -11.146 2.041 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.224 -10.995 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.882 -9.760 1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.288 -11.215 1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.440 -9.168 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.024 -8.434 2.699 1.00 0.00 H new ATOM 986 N GLY A 75 -9.658 -8.881 -1.492 1.00 0.00 N ATOM 987 CA GLY A 75 -9.396 -7.637 -2.187 1.00 0.00 C ATOM 988 C GLY A 75 -10.581 -6.693 -2.045 1.00 0.00 C ATOM 989 O GLY A 75 -11.586 -6.845 -2.737 1.00 0.00 O ATOM 0 H GLY A 75 -9.891 -9.664 -2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.499 -7.169 -1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.204 -7.835 -3.242 1.00 0.00 H new ATOM 993 N PHE A 76 -10.462 -5.714 -1.145 1.00 0.00 N ATOM 994 CA PHE A 76 -11.522 -4.752 -0.919 1.00 0.00 C ATOM 995 C PHE A 76 -11.436 -3.636 -1.950 1.00 0.00 C ATOM 996 O PHE A 76 -10.619 -2.727 -1.817 1.00 0.00 O ATOM 997 CB PHE A 76 -11.406 -4.193 0.496 1.00 0.00 C ATOM 998 CG PHE A 76 -12.614 -4.477 1.357 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.733 -3.639 1.291 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.613 -5.576 2.224 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.852 -3.901 2.091 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.731 -5.838 3.024 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.851 -5.000 2.957 1.00 0.00 C ATOM 0 H PHE A 76 -9.636 -5.574 -0.563 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.491 -5.241 -1.024 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.522 -4.615 0.974 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.254 -3.115 0.441 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.733 -2.790 0.623 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.749 -6.222 2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.716 -3.255 2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.730 -6.686 3.693 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.714 -5.202 3.574 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.282 -3.706 -2.981 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.298 -2.703 -4.027 1.00 0.00 C ATOM 1015 C LEU A 77 -12.475 -1.321 -3.416 1.00 0.00 C ATOM 1016 O LEU A 77 -13.360 -1.115 -2.588 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.426 -3.010 -5.007 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.924 -1.710 -5.632 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.804 -1.078 -6.454 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.116 -2.004 -6.538 1.00 0.00 C ATOM 0 H LEU A 77 -12.964 -4.454 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.351 -2.720 -4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.073 -3.688 -5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.243 -3.515 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.228 -1.022 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.160 -0.149 -6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.953 -0.867 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.499 -1.766 -7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.472 -1.075 -6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.813 -2.693 -7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.917 -2.454 -5.951 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.631 -0.372 -3.825 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.701 0.983 -3.316 1.00 0.00 C ATOM 1034 C PHE A 78 -13.141 1.475 -3.352 1.00 0.00 C ATOM 1035 O PHE A 78 -13.571 2.206 -2.463 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.799 1.887 -4.153 1.00 0.00 C ATOM 1037 CG PHE A 78 -11.441 2.356 -5.436 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -12.348 3.423 -5.416 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -11.132 1.724 -6.646 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -12.945 3.857 -6.605 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -11.729 2.158 -7.836 1.00 0.00 C ATOM 1042 CZ PHE A 78 -12.635 3.225 -7.815 1.00 0.00 C ATOM 0 H PHE A 78 -10.891 -0.526 -4.510 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.357 1.005 -2.282 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.516 2.756 -3.559 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -9.880 1.351 -4.391 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.587 3.911 -4.483 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.433 0.901 -6.662 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.645 4.679 -6.589 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -11.491 1.670 -8.769 1.00 0.00 H new ATOM 0 HZ PHE A 78 -13.095 3.561 -8.733 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.886 1.071 -4.383 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.271 1.472 -4.529 1.00 0.00 C ATOM 1054 C ASP A 79 -16.062 1.045 -3.301 1.00 0.00 C ATOM 1055 O ASP A 79 -17.165 1.536 -3.070 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.851 0.843 -5.792 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.743 1.830 -6.531 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.339 3.011 -6.610 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.812 1.387 -7.003 1.00 0.00 O ATOM 0 H ASP A 79 -13.544 0.464 -5.128 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.333 2.557 -4.618 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.042 0.518 -6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.425 -0.046 -5.530 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.498 0.128 -2.511 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.157 -0.355 -1.315 1.00 0.00 C ATOM 1066 C GLY A 80 -16.888 -1.658 -1.605 1.00 0.00 C ATOM 1067 O GLY A 80 -17.877 -1.978 -0.949 1.00 0.00 O ATOM 0 H GLY A 80 -14.584 -0.290 -2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.423 -0.510 -0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.862 0.393 -0.953 1.00 0.00 H new ATOM 1071 N THR A 81 -16.399 -2.412 -2.592 1.00 0.00 N ATOM 1072 CA THR A 81 -17.009 -3.674 -2.960 1.00 0.00 C ATOM 1073 C THR A 81 -16.041 -4.817 -2.688 1.00 0.00 C ATOM 1074 O THR A 81 -14.827 -4.624 -2.709 1.00 0.00 O ATOM 1075 CB THR A 81 -17.401 -3.637 -4.435 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.645 -2.990 -4.574 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.506 -5.063 -4.969 1.00 0.00 C ATOM 0 H THR A 81 -15.580 -2.162 -3.147 1.00 0.00 H new ATOM 0 HA THR A 81 -17.906 -3.836 -2.362 1.00 0.00 H new ATOM 0 HB THR A 81 -16.644 -3.093 -4.999 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.896 -2.964 -5.521 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.786 -5.037 -6.022 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.544 -5.564 -4.861 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.263 -5.608 -4.405 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.583 -6.010 -2.433 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.768 -7.176 -2.158 1.00 0.00 C ATOM 1087 C ARG A 82 -15.351 -7.834 -3.465 1.00 0.00 C ATOM 1088 O ARG A 82 -16.120 -8.587 -4.057 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.557 -8.153 -1.290 1.00 0.00 C ATOM 1090 CG ARG A 82 -16.134 -7.994 0.167 1.00 0.00 C ATOM 1091 CD ARG A 82 -15.455 -9.275 0.642 1.00 0.00 C ATOM 1092 NE ARG A 82 -16.431 -10.212 1.199 1.00 0.00 N ATOM 1093 CZ ARG A 82 -16.085 -11.398 1.718 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -14.797 -11.769 1.741 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -17.026 -12.214 2.212 1.00 0.00 N ATOM 0 H ARG A 82 -17.588 -6.185 -2.413 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.868 -6.877 -1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.626 -7.965 -1.392 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.380 -9.176 -1.622 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.453 -7.149 0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.004 -7.779 0.788 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.931 -9.743 -0.191 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.705 -9.035 1.396 1.00 0.00 H new ATOM 0 HE ARG A 82 -17.417 -9.951 1.192 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.081 -11.149 1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -14.533 -12.672 2.136 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.006 -11.933 2.193 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.762 -13.117 2.607 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.127 -7.548 -3.916 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.618 -8.116 -5.149 1.00 0.00 C ATOM 1111 C TRP A 83 -13.463 -9.622 -5.000 1.00 0.00 C ATOM 1112 O TRP A 83 -13.825 -10.378 -5.899 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.281 -7.466 -5.492 1.00 0.00 C ATOM 1114 CG TRP A 83 -11.702 -7.876 -6.808 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -10.626 -8.676 -6.973 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.143 -7.520 -8.154 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -10.374 -8.840 -8.318 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -11.281 -8.147 -9.094 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.184 -6.733 -8.677 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -11.441 -8.002 -10.474 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -13.354 -6.580 -10.061 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -12.486 -7.211 -10.960 1.00 0.00 C ATOM 0 H TRP A 83 -13.476 -6.925 -3.439 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.321 -7.923 -5.960 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.408 -6.383 -5.489 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.565 -7.705 -4.706 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -10.051 -9.119 -6.173 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -9.611 -9.404 -8.694 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -13.865 -6.237 -8.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -10.765 -8.495 -11.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -14.162 -5.970 -10.436 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -12.623 -7.087 -12.024 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.924 -10.060 -3.860 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.726 -11.472 -3.604 1.00 0.00 C ATOM 1135 C GLY A 84 -11.311 -11.725 -3.105 1.00 0.00 C ATOM 1136 O GLY A 84 -10.496 -10.806 -3.048 1.00 0.00 O ATOM 0 H GLY A 84 -12.619 -9.448 -3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.447 -11.819 -2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.905 -12.042 -4.515 1.00 0.00 H new ATOM 1140 N THR A 85 -11.018 -12.976 -2.741 1.00 0.00 N ATOM 1141 CA THR A 85 -9.704 -13.339 -2.251 1.00 0.00 C ATOM 1142 C THR A 85 -8.653 -13.032 -3.307 1.00 0.00 C ATOM 1143 O THR A 85 -8.566 -13.724 -4.320 1.00 0.00 O ATOM 1144 CB THR A 85 -9.689 -14.821 -1.887 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.006 -15.256 -1.635 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.837 -15.030 -0.639 1.00 0.00 C ATOM 0 H THR A 85 -11.681 -13.750 -2.780 1.00 0.00 H new ATOM 0 HA THR A 85 -9.472 -12.756 -1.359 1.00 0.00 H new ATOM 0 HB THR A 85 -9.269 -15.394 -2.714 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.997 -16.208 -1.403 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.826 -16.088 -0.379 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.819 -14.694 -0.833 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.257 -14.457 0.188 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.852 -11.991 -3.069 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.812 -11.598 -3.998 1.00 0.00 C ATOM 1156 C VAL A 86 -5.596 -12.496 -3.820 1.00 0.00 C ATOM 1157 O VAL A 86 -5.365 -13.024 -2.734 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.444 -10.136 -3.760 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -4.992 -9.903 -4.168 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.357 -9.240 -4.593 1.00 0.00 C ATOM 0 H VAL A 86 -7.911 -11.408 -2.234 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.173 -11.706 -5.021 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.566 -9.898 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.729 -8.859 -3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.340 -10.543 -3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.868 -10.141 -5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.095 -8.196 -4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.235 -9.478 -5.650 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.394 -9.406 -4.301 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.817 -12.669 -4.890 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.631 -13.501 -4.846 1.00 0.00 C ATOM 1172 C ASP A 87 -2.405 -12.669 -5.194 1.00 0.00 C ATOM 1173 O ASP A 87 -2.095 -12.479 -6.368 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.791 -14.663 -5.822 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.306 -15.905 -5.108 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -3.919 -16.086 -3.933 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -5.077 -16.650 -5.751 1.00 0.00 O ATOM 0 H ASP A 87 -4.994 -12.238 -5.797 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.500 -13.903 -3.841 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.482 -14.383 -6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.833 -14.881 -6.294 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.708 -12.173 -4.169 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.522 -11.365 -4.370 1.00 0.00 C ATOM 1184 C CYS A 88 0.466 -12.113 -5.256 1.00 0.00 C ATOM 1185 O CYS A 88 1.319 -11.499 -5.893 1.00 0.00 O ATOM 1186 CB CYS A 88 0.105 -11.037 -3.018 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.419 -9.447 -2.331 1.00 0.00 S ATOM 0 H CYS A 88 -1.953 -12.323 -3.190 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.792 -10.432 -4.866 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.147 -11.827 -2.311 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.190 -11.036 -3.123 1.00 0.00 H new ATOM 1192 N THR A 89 0.349 -13.442 -5.295 1.00 0.00 N ATOM 1193 CA THR A 89 1.231 -14.260 -6.103 1.00 0.00 C ATOM 1194 C THR A 89 0.708 -14.334 -7.530 1.00 0.00 C ATOM 1195 O THR A 89 1.289 -15.014 -8.372 1.00 0.00 O ATOM 1196 CB THR A 89 1.332 -15.654 -5.491 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.068 -16.279 -5.535 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.793 -15.541 -4.040 1.00 0.00 C ATOM 0 H THR A 89 -0.352 -13.967 -4.772 1.00 0.00 H new ATOM 0 HA THR A 89 2.225 -13.814 -6.126 1.00 0.00 H new ATOM 0 HB THR A 89 2.051 -16.247 -6.056 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.132 -17.175 -5.144 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.865 -16.537 -3.603 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.769 -15.058 -4.005 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.074 -14.948 -3.475 1.00 0.00 H new ATOM 1206 N THR A 90 -0.395 -13.632 -7.800 1.00 0.00 N ATOM 1207 CA THR A 90 -0.986 -13.623 -9.123 1.00 0.00 C ATOM 1208 C THR A 90 -0.846 -12.241 -9.745 1.00 0.00 C ATOM 1209 O THR A 90 -0.872 -12.101 -10.966 1.00 0.00 O ATOM 1210 CB THR A 90 -2.455 -14.025 -9.025 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.569 -15.424 -9.159 1.00 0.00 O ATOM 1212 CG2 THR A 90 -3.245 -13.341 -10.137 1.00 0.00 C ATOM 0 H THR A 90 -0.891 -13.064 -7.113 1.00 0.00 H new ATOM 0 HA THR A 90 -0.467 -14.339 -9.761 1.00 0.00 H new ATOM 0 HB THR A 90 -2.852 -13.719 -8.057 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.512 -15.683 -9.094 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.294 -13.628 -10.067 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.157 -12.259 -10.034 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.849 -13.646 -11.105 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.695 -11.218 -8.900 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.553 -9.855 -9.369 1.00 0.00 C ATOM 1222 C ALA A 91 0.416 -9.100 -8.470 1.00 0.00 C ATOM 1223 O ALA A 91 0.935 -9.658 -7.506 1.00 0.00 O ATOM 1224 CB ALA A 91 -1.920 -9.176 -9.381 1.00 0.00 C ATOM 0 H ALA A 91 -0.669 -11.318 -7.885 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.154 -9.855 -10.383 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.814 -8.150 -9.734 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.591 -9.721 -10.045 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.333 -9.172 -8.372 1.00 0.00 H new ATOM 1230 N ALA A 92 0.660 -7.826 -8.789 1.00 0.00 N ATOM 1231 CA ALA A 92 1.565 -7.003 -8.012 1.00 0.00 C ATOM 1232 C ALA A 92 0.780 -6.212 -6.975 1.00 0.00 C ATOM 1233 O ALA A 92 -0.222 -5.580 -7.303 1.00 0.00 O ATOM 1234 CB ALA A 92 2.327 -6.067 -8.944 1.00 0.00 C ATOM 0 H ALA A 92 0.237 -7.349 -9.585 1.00 0.00 H new ATOM 0 HA ALA A 92 2.282 -7.636 -7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.008 -5.448 -8.360 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.897 -6.655 -9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.621 -5.429 -9.475 1.00 0.00 H new ATOM 1240 N CYS A 93 1.238 -6.247 -5.722 1.00 0.00 N ATOM 1241 CA CYS A 93 0.579 -5.536 -4.646 1.00 0.00 C ATOM 1242 C CYS A 93 1.376 -4.289 -4.289 1.00 0.00 C ATOM 1243 O CYS A 93 2.534 -4.158 -4.680 1.00 0.00 O ATOM 1244 CB CYS A 93 0.444 -6.456 -3.436 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.139 -8.121 -3.840 1.00 0.00 S ATOM 0 H CYS A 93 2.068 -6.766 -5.435 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.417 -5.229 -4.964 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.412 -6.531 -2.940 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.245 -6.003 -2.723 1.00 0.00 H new ATOM 1250 N GLN A 94 0.753 -3.372 -3.544 1.00 0.00 N ATOM 1251 CA GLN A 94 1.407 -2.143 -3.142 1.00 0.00 C ATOM 1252 C GLN A 94 0.735 -1.586 -1.895 1.00 0.00 C ATOM 1253 O GLN A 94 -0.454 -1.808 -1.675 1.00 0.00 O ATOM 1254 CB GLN A 94 1.342 -1.136 -4.286 1.00 0.00 C ATOM 1255 CG GLN A 94 0.887 0.218 -3.749 1.00 0.00 C ATOM 1256 CD GLN A 94 0.831 1.253 -4.864 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.989 0.916 -6.035 1.00 0.00 O ATOM 1258 NE2 GLN A 94 0.604 2.516 -4.496 1.00 0.00 N ATOM 0 H GLN A 94 -0.206 -3.466 -3.211 1.00 0.00 H new ATOM 0 HA GLN A 94 2.453 -2.342 -2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.320 -1.042 -4.757 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.651 -1.485 -5.053 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.096 0.120 -3.289 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.571 0.553 -2.970 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.479 2.745 -3.510 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.555 3.252 -5.201 1.00 0.00 H new ATOM 1267 N VAL A 95 1.500 -0.859 -1.077 1.00 0.00 N ATOM 1268 CA VAL A 95 0.977 -0.273 0.141 1.00 0.00 C ATOM 1269 C VAL A 95 0.808 1.228 -0.041 1.00 0.00 C ATOM 1270 O VAL A 95 1.338 1.804 -0.988 1.00 0.00 O ATOM 1271 CB VAL A 95 1.926 -0.575 1.297 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.774 0.496 2.374 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.589 -1.941 1.888 1.00 0.00 C ATOM 0 H VAL A 95 2.487 -0.666 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 95 0.001 -0.703 0.368 1.00 0.00 H new ATOM 0 HB VAL A 95 2.953 -0.580 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.452 0.280 3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.014 1.472 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.747 0.501 2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.267 -2.157 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.562 -1.936 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.697 -2.707 1.120 1.00 0.00 H new ATOM 1283 N GLY A 96 0.068 1.863 0.871 1.00 0.00 N ATOM 1284 CA GLY A 96 -0.163 3.292 0.803 1.00 0.00 C ATOM 1285 C GLY A 96 -0.970 3.754 2.008 1.00 0.00 C ATOM 1286 O GLY A 96 -1.604 2.945 2.681 1.00 0.00 O ATOM 0 H GLY A 96 -0.379 1.401 1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.790 3.820 0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.695 3.538 -0.116 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.946 5.062 2.278 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.673 5.625 3.398 1.00 0.00 C ATOM 1292 C LEU A 97 -2.601 6.728 2.909 1.00 0.00 C ATOM 1293 O LEU A 97 -2.172 7.632 2.196 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.683 6.168 4.425 1.00 0.00 C ATOM 1295 CG LEU A 97 0.123 7.304 3.803 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.211 8.466 4.789 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.529 6.810 3.473 1.00 0.00 C ATOM 0 H LEU A 97 -0.426 5.746 1.728 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.278 4.851 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.216 6.526 5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.015 5.373 4.758 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.368 7.639 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.787 9.278 4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.793 8.820 5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.702 8.131 5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.105 7.622 3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.020 6.474 4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.467 5.981 2.768 1.00 0.00 H new ATOM 1309 N SER A 98 -3.876 6.651 3.295 1.00 0.00 N ATOM 1310 CA SER A 98 -4.856 7.642 2.896 1.00 0.00 C ATOM 1311 C SER A 98 -5.313 8.436 4.112 1.00 0.00 C ATOM 1312 O SER A 98 -5.478 7.877 5.194 1.00 0.00 O ATOM 1313 CB SER A 98 -6.038 6.946 2.228 1.00 0.00 C ATOM 1314 OG SER A 98 -5.664 6.518 0.938 1.00 0.00 O ATOM 0 H SER A 98 -4.247 5.907 3.886 1.00 0.00 H new ATOM 0 HA SER A 98 -4.409 8.335 2.183 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.358 6.093 2.827 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.887 7.627 2.165 1.00 0.00 H new ATOM 0 HG SER A 98 -6.423 6.069 0.509 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.519 9.742 3.930 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.955 10.604 5.010 1.00 0.00 C ATOM 1322 C ASP A 99 -7.439 10.909 4.858 1.00 0.00 C ATOM 1323 O ASP A 99 -8.148 10.207 4.142 1.00 0.00 O ATOM 1324 CB ASP A 99 -5.134 11.890 4.997 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.793 12.947 4.121 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.894 12.691 2.902 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -6.183 13.991 4.688 1.00 0.00 O ATOM 0 H ASP A 99 -5.388 10.219 3.038 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.803 10.102 5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.028 12.269 6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.130 11.681 4.629 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.906 11.961 5.535 1.00 0.00 N ATOM 1333 CA ALA A 100 -9.300 12.352 5.472 1.00 0.00 C ATOM 1334 C ALA A 100 -9.629 12.865 4.078 1.00 0.00 C ATOM 1335 O ALA A 100 -10.627 12.461 3.485 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.574 13.425 6.522 1.00 0.00 C ATOM 0 H ALA A 100 -7.330 12.554 6.133 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.934 11.490 5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.622 13.720 6.476 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.352 13.029 7.513 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.944 14.293 6.328 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.787 13.759 3.555 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.993 14.324 2.236 1.00 0.00 C ATOM 1344 C ALA A 101 -8.834 13.238 1.181 1.00 0.00 C ATOM 1345 O ALA A 101 -9.382 13.350 0.086 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.994 15.453 2.005 1.00 0.00 C ATOM 0 H ALA A 101 -7.955 14.103 4.034 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.002 14.730 2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.148 15.878 1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.139 16.227 2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.979 15.062 2.078 1.00 0.00 H new ATOM 1352 N GLY A 102 -8.081 12.186 1.511 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.858 11.091 0.588 1.00 0.00 C ATOM 1354 C GLY A 102 -6.586 11.329 -0.214 1.00 0.00 C ATOM 1355 O GLY A 102 -6.608 11.296 -1.442 1.00 0.00 O ATOM 0 H GLY A 102 -7.619 12.077 2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.780 10.153 1.138 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.709 10.995 -0.086 1.00 0.00 H new ATOM 1359 N ASN A 103 -5.474 11.570 0.485 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.201 11.811 -0.165 1.00 0.00 C ATOM 1361 C ASN A 103 -3.119 10.957 0.479 1.00 0.00 C ATOM 1362 O ASN A 103 -3.364 10.295 1.486 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.852 13.293 -0.062 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.934 13.554 1.124 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -1.832 14.071 0.955 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.390 13.195 2.326 1.00 0.00 N ATOM 0 H ASN A 103 -5.439 11.602 1.504 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.270 11.538 -1.218 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.367 13.621 -0.981 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.765 13.879 0.044 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.816 13.347 3.155 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.312 12.769 2.415 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.918 10.971 -0.103 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.810 10.198 0.419 1.00 0.00 C ATOM 1375 C GLY A 104 0.456 10.487 -0.375 1.00 0.00 C ATOM 1376 O GLY A 104 0.401 11.122 -1.426 1.00 0.00 O ATOM 0 H GLY A 104 -1.696 11.514 -0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.652 10.440 1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.044 9.135 0.369 1.00 0.00 H new ATOM 1380 N PRO A 105 1.600 10.019 0.131 1.00 0.00 N ATOM 1381 CA PRO A 105 2.897 10.196 -0.485 1.00 0.00 C ATOM 1382 C PRO A 105 3.000 9.313 -1.721 1.00 0.00 C ATOM 1383 O PRO A 105 2.123 8.489 -1.973 1.00 0.00 O ATOM 1384 CB PRO A 105 3.899 9.762 0.582 1.00 0.00 C ATOM 1385 CG PRO A 105 3.121 8.709 1.369 1.00 0.00 C ATOM 1386 CD PRO A 105 1.700 9.269 1.364 1.00 0.00 C ATOM 0 HA PRO A 105 3.076 11.221 -0.810 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.806 9.349 0.141 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.203 10.596 1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.172 7.729 0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.507 8.593 2.382 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.960 8.469 1.401 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.524 9.907 2.230 1.00 0.00 H new ATOM 1394 N GLU A 106 4.074 9.488 -2.495 1.00 0.00 N ATOM 1395 CA GLU A 106 4.282 8.707 -3.698 1.00 0.00 C ATOM 1396 C GLU A 106 3.791 7.282 -3.483 1.00 0.00 C ATOM 1397 O GLU A 106 4.096 6.664 -2.465 1.00 0.00 O ATOM 1398 CB GLU A 106 5.764 8.720 -4.061 1.00 0.00 C ATOM 1399 CG GLU A 106 6.012 9.755 -5.154 1.00 0.00 C ATOM 1400 CD GLU A 106 5.954 9.114 -6.533 1.00 0.00 C ATOM 1401 OE1 GLU A 106 5.056 8.266 -6.727 1.00 0.00 O ATOM 1402 OE2 GLU A 106 6.809 9.483 -7.366 1.00 0.00 O ATOM 0 H GLU A 106 4.810 10.168 -2.302 1.00 0.00 H new ATOM 0 HA GLU A 106 3.715 9.143 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.363 8.955 -3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.074 7.733 -4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.267 10.548 -5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.987 10.220 -5.006 1.00 0.00 H new ATOM 1409 N GLY A 107 3.030 6.760 -4.447 1.00 0.00 N ATOM 1410 CA GLY A 107 2.504 5.412 -4.356 1.00 0.00 C ATOM 1411 C GLY A 107 3.627 4.427 -4.061 1.00 0.00 C ATOM 1412 O GLY A 107 4.798 4.733 -4.279 1.00 0.00 O ATOM 0 H GLY A 107 2.768 7.258 -5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.750 5.361 -3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.011 5.143 -5.290 1.00 0.00 H new ATOM 1416 N VAL A 108 3.267 3.242 -3.564 1.00 0.00 N ATOM 1417 CA VAL A 108 4.242 2.219 -3.241 1.00 0.00 C ATOM 1418 C VAL A 108 4.023 1.002 -4.128 1.00 0.00 C ATOM 1419 O VAL A 108 3.098 0.225 -3.901 1.00 0.00 O ATOM 1420 CB VAL A 108 4.117 1.845 -1.767 1.00 0.00 C ATOM 1421 CG1 VAL A 108 4.734 0.468 -1.538 1.00 0.00 C ATOM 1422 CG2 VAL A 108 4.849 2.879 -0.917 1.00 0.00 C ATOM 0 H VAL A 108 2.300 2.974 -3.379 1.00 0.00 H new ATOM 0 HA VAL A 108 5.248 2.599 -3.421 1.00 0.00 H new ATOM 0 HB VAL A 108 3.064 1.823 -1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.645 0.200 -0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.211 -0.271 -2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.787 0.490 -1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.760 2.613 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.902 2.902 -1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.409 3.862 -1.081 1.00 0.00 H new ATOM 1432 N ALA A 109 4.878 0.837 -5.140 1.00 0.00 N ATOM 1433 CA ALA A 109 4.774 -0.282 -6.054 1.00 0.00 C ATOM 1434 C ALA A 109 5.554 -1.469 -5.507 1.00 0.00 C ATOM 1435 O ALA A 109 6.726 -1.338 -5.164 1.00 0.00 O ATOM 1436 CB ALA A 109 5.306 0.129 -7.424 1.00 0.00 C ATOM 0 H ALA A 109 5.650 1.472 -5.340 1.00 0.00 H new ATOM 0 HA ALA A 109 3.729 -0.575 -6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.228 -0.713 -8.112 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.720 0.965 -7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.350 0.428 -7.334 1.00 0.00 H new ATOM 1442 N ILE A 110 4.899 -2.630 -5.426 1.00 0.00 N ATOM 1443 CA ILE A 110 5.531 -3.833 -4.924 1.00 0.00 C ATOM 1444 C ILE A 110 5.131 -5.023 -5.784 1.00 0.00 C ATOM 1445 O ILE A 110 4.363 -4.875 -6.733 1.00 0.00 O ATOM 1446 CB ILE A 110 5.121 -4.053 -3.470 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.599 -4.047 -3.364 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.697 -2.935 -2.605 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.167 -4.929 -2.195 1.00 0.00 C ATOM 0 H ILE A 110 3.926 -2.753 -5.706 1.00 0.00 H new ATOM 0 HA ILE A 110 6.615 -3.726 -4.970 1.00 0.00 H new ATOM 0 HB ILE A 110 5.505 -5.013 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.238 -3.029 -3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.158 -4.412 -4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.405 -3.091 -1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.784 -2.940 -2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.314 -1.974 -2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.080 -4.925 -2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.516 -5.948 -2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.597 -4.544 -1.270 1.00 0.00 H new ATOM 1461 N SER A 111 5.652 -6.206 -5.451 1.00 0.00 N ATOM 1462 CA SER A 111 5.345 -7.412 -6.193 1.00 0.00 C ATOM 1463 C SER A 111 5.734 -8.635 -5.375 1.00 0.00 C ATOM 1464 O SER A 111 6.304 -8.507 -4.294 1.00 0.00 O ATOM 1465 CB SER A 111 6.092 -7.393 -7.524 1.00 0.00 C ATOM 1466 OG SER A 111 5.174 -7.575 -8.580 1.00 0.00 O ATOM 0 H SER A 111 6.290 -6.346 -4.668 1.00 0.00 H new ATOM 0 HA SER A 111 4.274 -7.458 -6.392 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.619 -6.446 -7.644 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.845 -8.181 -7.542 1.00 0.00 H new ATOM 0 HG SER A 111 5.652 -7.561 -9.435 1.00 0.00 H new ATOM 1472 N PHE A 112 5.424 -9.826 -5.894 1.00 0.00 N ATOM 1473 CA PHE A 112 5.743 -11.063 -5.209 1.00 0.00 C ATOM 1474 C PHE A 112 6.429 -12.023 -6.171 1.00 0.00 C ATOM 1475 O PHE A 112 5.822 -12.473 -7.140 1.00 0.00 O ATOM 1476 CB PHE A 112 4.463 -11.678 -4.651 1.00 0.00 C ATOM 1477 CG PHE A 112 3.647 -10.720 -3.817 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.047 -9.606 -4.416 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.489 -10.946 -2.444 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.289 -8.718 -3.643 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.731 -10.059 -1.671 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.131 -8.945 -2.270 1.00 0.00 C ATOM 0 H PHE A 112 4.951 -9.951 -6.789 1.00 0.00 H new ATOM 0 HA PHE A 112 6.424 -10.861 -4.382 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.852 -12.038 -5.479 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.721 -12.546 -4.044 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.169 -9.431 -5.475 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.952 -11.805 -1.981 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.826 -7.858 -4.105 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.609 -10.234 -0.612 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.546 -8.261 -1.673 1.00 0.00 H new ATOM 1492 N ASN A 113 7.698 -12.336 -5.900 1.00 0.00 N ATOM 1493 CA ASN A 113 8.457 -13.240 -6.741 1.00 0.00 C ATOM 1494 C ASN A 113 8.214 -12.912 -8.207 1.00 0.00 C ATOM 1495 O ASN A 113 8.888 -12.055 -8.774 1.00 0.00 O ATOM 1496 CB ASN A 113 8.050 -14.679 -6.435 1.00 0.00 C ATOM 1497 CG ASN A 113 6.634 -14.958 -6.919 1.00 0.00 C ATOM 1498 OD1 ASN A 113 6.430 -15.297 -8.083 1.00 0.00 O ATOM 1499 ND2 ASN A 113 5.655 -14.816 -6.022 1.00 0.00 N ATOM 0 H ASN A 113 8.215 -11.971 -5.100 1.00 0.00 H new ATOM 0 HA ASN A 113 9.521 -13.124 -6.536 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.745 -15.368 -6.915 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.114 -14.859 -5.362 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.687 -14.991 -6.292 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.875 -14.532 -5.067 1.00 0.00 H new