USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 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= -0.153 USER MOD Set 1.2: A 65 THR OG1 : rot -170:sc= -0.305 USER MOD Set 2.1: A 27 GLN : amide:sc= -0.132 X(o=-0.44,f=-0.31) USER MOD Set 2.2: A 30 THR OG1 : rot -140:sc= 0 USER MOD Set 2.3: A 32 TYR OH : rot 0:sc= -0.308 USER MOD Single : A 1 ALA N :NH3+ 140:sc= 0.0151 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.47! USER MOD Single : A 8 THR OG1 : rot -140:sc= -5.81! USER MOD Single : A 10 SER OG : rot 66:sc= 0.245 USER MOD Single : A 11 SER OG : rot 44:sc= 0.767 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 96:sc= 1.28 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -18! C(o=-18!,f=-16!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -4.97! C(o=-5!,f=-22!) 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 X(o=0,f=-0.065) USER MOD Single : A 62 SER OG : rot 50:sc= 0.0142 USER MOD Single : A 64 SER OG : rot 30:sc= 0.16 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 160:sc= -0.504 USER MOD Single : A 72 SER OG : rot 57:sc= 0.325 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00103 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -9! C(o=-9!,f=-8.3!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc=-0.000609 X(o=-0.00061,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.484 13.301 -7.277 1.00 0.00 N ATOM 2 CA ALA A 1 1.626 13.761 -6.513 1.00 0.00 C ATOM 3 C ALA A 1 2.048 12.687 -5.520 1.00 0.00 C ATOM 4 O ALA A 1 1.206 12.081 -4.862 1.00 0.00 O ATOM 5 CB ALA A 1 1.265 15.054 -5.788 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.186 14.086 -7.407 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.803 12.960 -8.207 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.014 12.526 -6.767 1.00 0.00 H new ATOM 0 HA ALA A 1 2.462 13.957 -7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.124 15.401 -5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.986 15.814 -6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.427 14.872 -5.115 1.00 0.00 H new ATOM 11 N ALA A 2 3.358 12.451 -5.415 1.00 0.00 N ATOM 12 CA ALA A 2 3.885 11.452 -4.506 1.00 0.00 C ATOM 13 C ALA A 2 5.172 11.960 -3.872 1.00 0.00 C ATOM 14 O ALA A 2 6.110 12.328 -4.576 1.00 0.00 O ATOM 15 CB ALA A 2 4.132 10.154 -5.268 1.00 0.00 C ATOM 0 H ALA A 2 4.069 12.945 -5.954 1.00 0.00 H new ATOM 0 HA ALA A 2 3.164 11.260 -3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.528 9.402 -4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.194 9.799 -5.695 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.850 10.333 -6.068 1.00 0.00 H new ATOM 21 N PRO A 3 5.215 11.978 -2.538 1.00 0.00 N ATOM 22 CA PRO A 3 6.353 12.426 -1.765 1.00 0.00 C ATOM 23 C PRO A 3 7.470 11.396 -1.857 1.00 0.00 C ATOM 24 O PRO A 3 7.336 10.393 -2.555 1.00 0.00 O ATOM 25 CB PRO A 3 5.833 12.543 -0.334 1.00 0.00 C ATOM 26 CG PRO A 3 4.741 11.475 -0.282 1.00 0.00 C ATOM 27 CD PRO A 3 4.131 11.553 -1.680 1.00 0.00 C ATOM 0 HA PRO A 3 6.762 13.372 -2.121 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.618 12.355 0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.437 13.537 -0.128 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.150 10.487 -0.073 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.005 11.686 0.494 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.736 10.586 -1.993 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.303 12.261 -1.710 1.00 0.00 H new ATOM 35 N THR A 4 8.575 11.644 -1.151 1.00 0.00 N ATOM 36 CA THR A 4 9.705 10.737 -1.160 1.00 0.00 C ATOM 37 C THR A 4 9.660 9.840 0.068 1.00 0.00 C ATOM 38 O THR A 4 9.892 10.299 1.185 1.00 0.00 O ATOM 39 CB THR A 4 11.001 11.541 -1.195 1.00 0.00 C ATOM 40 OG1 THR A 4 11.948 10.872 -1.997 1.00 0.00 O ATOM 41 CG2 THR A 4 11.548 11.686 0.223 1.00 0.00 C ATOM 0 H THR A 4 8.703 12.470 -0.567 1.00 0.00 H new ATOM 0 HA THR A 4 9.660 10.105 -2.047 1.00 0.00 H new ATOM 0 HB THR A 4 10.804 12.529 -1.612 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.780 11.389 -2.021 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.474 12.260 0.199 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.816 12.203 0.844 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.745 10.698 0.640 1.00 0.00 H new ATOM 49 N ALA A 5 9.359 8.556 -0.140 1.00 0.00 N ATOM 50 CA ALA A 5 9.284 7.602 0.948 1.00 0.00 C ATOM 51 C ALA A 5 10.200 6.421 0.661 1.00 0.00 C ATOM 52 O ALA A 5 10.279 5.955 -0.473 1.00 0.00 O ATOM 53 CB ALA A 5 7.840 7.138 1.117 1.00 0.00 C ATOM 0 H ALA A 5 9.164 8.160 -1.060 1.00 0.00 H new ATOM 0 HA ALA A 5 9.611 8.073 1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.782 6.420 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.206 7.996 1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.499 6.666 0.195 1.00 0.00 H new ATOM 59 N THR A 6 10.894 5.936 1.693 1.00 0.00 N ATOM 60 CA THR A 6 11.798 4.813 1.543 1.00 0.00 C ATOM 61 C THR A 6 11.167 3.558 2.128 1.00 0.00 C ATOM 62 O THR A 6 10.889 3.498 3.324 1.00 0.00 O ATOM 63 CB THR A 6 13.119 5.129 2.239 1.00 0.00 C ATOM 64 OG1 THR A 6 12.871 5.907 3.388 1.00 0.00 O ATOM 65 CG2 THR A 6 14.024 5.904 1.286 1.00 0.00 C ATOM 0 H THR A 6 10.841 6.310 2.640 1.00 0.00 H new ATOM 0 HA THR A 6 11.992 4.637 0.485 1.00 0.00 H new ATOM 0 HB THR A 6 13.608 4.199 2.529 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.719 6.109 3.836 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.967 6.130 1.783 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.217 5.303 0.398 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.535 6.834 0.996 1.00 0.00 H new ATOM 73 N VAL A 7 10.941 2.552 1.279 1.00 0.00 N ATOM 74 CA VAL A 7 10.346 1.304 1.713 1.00 0.00 C ATOM 75 C VAL A 7 11.364 0.180 1.594 1.00 0.00 C ATOM 76 O VAL A 7 12.296 0.265 0.798 1.00 0.00 O ATOM 77 CB VAL A 7 9.112 1.009 0.865 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.495 2.321 0.390 1.00 0.00 C ATOM 79 CG2 VAL A 7 9.515 0.169 -0.343 1.00 0.00 C ATOM 0 H VAL A 7 11.165 2.587 0.285 1.00 0.00 H new ATOM 0 HA VAL A 7 10.043 1.383 2.757 1.00 0.00 H new ATOM 0 HB VAL A 7 8.383 0.461 1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.614 2.110 -0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.207 2.921 1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.223 2.870 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.634 -0.042 -0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.244 0.717 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.955 -0.769 -0.004 1.00 0.00 H new ATOM 89 N THR A 8 11.185 -0.878 2.389 1.00 0.00 N ATOM 90 CA THR A 8 12.089 -2.010 2.365 1.00 0.00 C ATOM 91 C THR A 8 11.961 -2.748 1.040 1.00 0.00 C ATOM 92 O THR A 8 11.130 -2.393 0.207 1.00 0.00 O ATOM 93 CB THR A 8 11.770 -2.939 3.534 1.00 0.00 C ATOM 94 OG1 THR A 8 12.971 -3.433 4.082 1.00 0.00 O ATOM 95 CG2 THR A 8 10.919 -4.105 3.039 1.00 0.00 C ATOM 0 H THR A 8 10.418 -0.966 3.056 1.00 0.00 H new ATOM 0 HA THR A 8 13.117 -1.660 2.464 1.00 0.00 H new ATOM 0 HB THR A 8 11.222 -2.388 4.298 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.860 -4.378 4.316 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.691 -4.769 3.873 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.990 -3.723 2.614 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.467 -4.657 2.275 1.00 0.00 H new ATOM 103 N PRO A 9 12.788 -3.778 0.848 1.00 0.00 N ATOM 104 CA PRO A 9 12.810 -4.595 -0.347 1.00 0.00 C ATOM 105 C PRO A 9 11.577 -5.487 -0.377 1.00 0.00 C ATOM 106 O PRO A 9 11.394 -6.325 0.504 1.00 0.00 O ATOM 107 CB PRO A 9 14.085 -5.426 -0.229 1.00 0.00 C ATOM 108 CG PRO A 9 14.255 -5.573 1.282 1.00 0.00 C ATOM 109 CD PRO A 9 13.777 -4.221 1.806 1.00 0.00 C ATOM 0 HA PRO A 9 12.800 -4.007 -1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.984 -6.394 -0.721 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.938 -4.924 -0.685 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.659 -6.395 1.679 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.292 -5.770 1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.347 -4.314 2.803 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.602 -3.512 1.879 1.00 0.00 H new ATOM 117 N SER A 10 10.731 -5.305 -1.393 1.00 0.00 N ATOM 118 CA SER A 10 9.523 -6.093 -1.531 1.00 0.00 C ATOM 119 C SER A 10 9.623 -6.981 -2.763 1.00 0.00 C ATOM 120 O SER A 10 8.666 -7.099 -3.526 1.00 0.00 O ATOM 121 CB SER A 10 8.318 -5.162 -1.631 1.00 0.00 C ATOM 122 OG SER A 10 8.225 -4.655 -2.943 1.00 0.00 O ATOM 0 H SER A 10 10.869 -4.614 -2.131 1.00 0.00 H new ATOM 0 HA SER A 10 9.400 -6.732 -0.657 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.406 -5.700 -1.372 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.418 -4.343 -0.919 1.00 0.00 H new ATOM 0 HG SER A 10 8.022 -5.386 -3.563 1.00 0.00 H new ATOM 128 N SER A 11 10.786 -7.608 -2.956 1.00 0.00 N ATOM 129 CA SER A 11 11.003 -8.482 -4.092 1.00 0.00 C ATOM 130 C SER A 11 11.424 -9.862 -3.608 1.00 0.00 C ATOM 131 O SER A 11 12.552 -10.046 -3.155 1.00 0.00 O ATOM 132 CB SER A 11 12.069 -7.878 -5.001 1.00 0.00 C ATOM 133 OG SER A 11 13.247 -7.653 -4.258 1.00 0.00 O ATOM 0 H SER A 11 11.589 -7.521 -2.333 1.00 0.00 H new ATOM 0 HA SER A 11 10.078 -8.585 -4.659 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.275 -8.550 -5.835 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.710 -6.941 -5.427 1.00 0.00 H new ATOM 0 HG SER A 11 13.434 -8.434 -3.696 1.00 0.00 H new ATOM 139 N GLY A 12 10.515 -10.835 -3.706 1.00 0.00 N ATOM 140 CA GLY A 12 10.802 -12.190 -3.279 1.00 0.00 C ATOM 141 C GLY A 12 10.391 -12.383 -1.826 1.00 0.00 C ATOM 142 O GLY A 12 10.972 -13.202 -1.117 1.00 0.00 O ATOM 0 H GLY A 12 9.575 -10.701 -4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.269 -12.899 -3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.866 -12.397 -3.394 1.00 0.00 H new ATOM 146 N LEU A 13 9.386 -11.624 -1.383 1.00 0.00 N ATOM 147 CA LEU A 13 8.903 -11.714 -0.019 1.00 0.00 C ATOM 148 C LEU A 13 7.625 -12.540 0.023 1.00 0.00 C ATOM 149 O LEU A 13 6.724 -12.334 -0.787 1.00 0.00 O ATOM 150 CB LEU A 13 8.658 -10.310 0.526 1.00 0.00 C ATOM 151 CG LEU A 13 9.763 -9.376 0.043 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.021 -8.304 1.098 1.00 0.00 C ATOM 153 CD2 LEU A 13 11.040 -10.178 -0.191 1.00 0.00 C ATOM 0 H LEU A 13 8.894 -10.940 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 13 9.650 -12.206 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.687 -9.944 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.635 -10.330 1.616 1.00 0.00 H new ATOM 0 HG LEU A 13 9.456 -8.901 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.811 -7.637 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.109 -7.731 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.328 -8.778 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.830 -9.511 -0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.347 -10.653 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.856 -10.943 -0.945 1.00 0.00 H new ATOM 165 N SER A 14 7.549 -13.476 0.971 1.00 0.00 N ATOM 166 CA SER A 14 6.384 -14.325 1.113 1.00 0.00 C ATOM 167 C SER A 14 5.558 -13.872 2.309 1.00 0.00 C ATOM 168 O SER A 14 6.037 -13.109 3.144 1.00 0.00 O ATOM 169 CB SER A 14 6.829 -15.775 1.282 1.00 0.00 C ATOM 170 OG SER A 14 6.916 -16.390 0.016 1.00 0.00 O ATOM 0 H SER A 14 8.288 -13.659 1.650 1.00 0.00 H new ATOM 0 HA SER A 14 5.765 -14.251 0.219 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.796 -15.814 1.784 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.121 -16.313 1.912 1.00 0.00 H new ATOM 0 HG SER A 14 7.203 -17.321 0.124 1.00 0.00 H new ATOM 176 N ASP A 15 4.312 -14.346 2.390 1.00 0.00 N ATOM 177 CA ASP A 15 3.428 -13.988 3.480 1.00 0.00 C ATOM 178 C ASP A 15 4.180 -14.069 4.801 1.00 0.00 C ATOM 179 O ASP A 15 4.963 -14.991 5.016 1.00 0.00 O ATOM 180 CB ASP A 15 2.223 -14.926 3.486 1.00 0.00 C ATOM 181 CG ASP A 15 1.627 -15.037 4.881 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.091 -15.925 5.628 1.00 0.00 O ATOM 183 OD2 ASP A 15 0.718 -14.230 5.176 1.00 0.00 O ATOM 0 H ASP A 15 3.900 -14.981 1.706 1.00 0.00 H new ATOM 0 HA ASP A 15 3.075 -12.965 3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.467 -14.558 2.792 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.524 -15.913 3.135 1.00 0.00 H new ATOM 188 N GLY A 16 3.942 -13.099 5.687 1.00 0.00 N ATOM 189 CA GLY A 16 4.600 -13.070 6.978 1.00 0.00 C ATOM 190 C GLY A 16 5.697 -12.016 6.987 1.00 0.00 C ATOM 191 O GLY A 16 6.095 -11.539 8.048 1.00 0.00 O ATOM 0 H GLY A 16 3.296 -12.326 5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.872 -12.854 7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.025 -14.049 7.199 1.00 0.00 H new ATOM 195 N THR A 17 6.187 -11.651 5.800 1.00 0.00 N ATOM 196 CA THR A 17 7.234 -10.656 5.681 1.00 0.00 C ATOM 197 C THR A 17 6.654 -9.265 5.892 1.00 0.00 C ATOM 198 O THR A 17 5.542 -8.980 5.451 1.00 0.00 O ATOM 199 CB THR A 17 7.886 -10.768 4.306 1.00 0.00 C ATOM 200 OG1 THR A 17 8.280 -12.102 4.080 1.00 0.00 O ATOM 201 CG2 THR A 17 9.112 -9.859 4.249 1.00 0.00 C ATOM 0 H THR A 17 5.869 -12.036 4.910 1.00 0.00 H new ATOM 0 HA THR A 17 7.993 -10.829 6.444 1.00 0.00 H new ATOM 0 HB THR A 17 7.172 -10.465 3.540 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.587 -12.565 3.564 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.578 -9.938 3.267 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.808 -8.827 4.424 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.826 -10.162 5.015 1.00 0.00 H new ATOM 209 N VAL A 18 7.411 -8.398 6.568 1.00 0.00 N ATOM 210 CA VAL A 18 6.971 -7.043 6.834 1.00 0.00 C ATOM 211 C VAL A 18 7.849 -6.059 6.074 1.00 0.00 C ATOM 212 O VAL A 18 9.073 -6.122 6.160 1.00 0.00 O ATOM 213 CB VAL A 18 7.030 -6.775 8.335 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.486 -6.765 8.792 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.393 -5.421 8.634 1.00 0.00 C ATOM 0 H VAL A 18 8.335 -8.620 6.939 1.00 0.00 H new ATOM 0 HA VAL A 18 5.942 -6.917 6.497 1.00 0.00 H new ATOM 0 HB VAL A 18 6.488 -7.557 8.867 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.530 -6.574 9.864 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.941 -7.732 8.577 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.028 -5.982 8.261 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.434 -5.228 9.706 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.935 -4.639 8.103 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.353 -5.428 8.306 1.00 0.00 H new ATOM 225 N VAL A 19 7.219 -5.147 5.329 1.00 0.00 N ATOM 226 CA VAL A 19 7.944 -4.156 4.560 1.00 0.00 C ATOM 227 C VAL A 19 8.035 -2.858 5.349 1.00 0.00 C ATOM 228 O VAL A 19 7.306 -2.667 6.320 1.00 0.00 O ATOM 229 CB VAL A 19 7.236 -3.930 3.227 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.559 -2.531 2.709 1.00 0.00 C ATOM 231 CG2 VAL A 19 7.712 -4.969 2.216 1.00 0.00 C ATOM 0 H VAL A 19 6.204 -5.082 5.248 1.00 0.00 H new ATOM 0 HA VAL A 19 8.956 -4.511 4.363 1.00 0.00 H new ATOM 0 HB VAL A 19 6.159 -4.025 3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.053 -2.370 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.219 -1.788 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.636 -2.435 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.207 -4.808 1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.789 -4.874 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.481 -5.968 2.585 1.00 0.00 H new ATOM 241 N LYS A 20 8.933 -1.963 4.930 1.00 0.00 N ATOM 242 CA LYS A 20 9.112 -0.690 5.599 1.00 0.00 C ATOM 243 C LYS A 20 8.674 0.443 4.683 1.00 0.00 C ATOM 244 O LYS A 20 8.856 0.370 3.470 1.00 0.00 O ATOM 245 CB LYS A 20 10.576 -0.528 5.997 1.00 0.00 C ATOM 246 CG LYS A 20 10.662 0.203 7.334 1.00 0.00 C ATOM 247 CD LYS A 20 10.655 1.709 7.093 1.00 0.00 C ATOM 248 CE LYS A 20 12.042 2.277 7.380 1.00 0.00 C ATOM 249 NZ LYS A 20 12.011 3.189 8.534 1.00 0.00 N ATOM 0 H LYS A 20 9.545 -2.105 4.127 1.00 0.00 H new ATOM 0 HA LYS A 20 8.498 -0.659 6.499 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.053 -1.505 6.073 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.113 0.030 5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.822 -0.078 7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.571 -0.087 7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.369 1.922 6.063 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.915 2.187 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.739 1.462 7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.410 2.808 6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.966 3.561 8.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.363 3.978 8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.682 2.673 9.375 1.00 0.00 H new ATOM 263 N VAL A 21 8.094 1.494 5.268 1.00 0.00 N ATOM 264 CA VAL A 21 7.633 2.636 4.504 1.00 0.00 C ATOM 265 C VAL A 21 7.958 3.921 5.252 1.00 0.00 C ATOM 266 O VAL A 21 7.403 4.179 6.318 1.00 0.00 O ATOM 267 CB VAL A 21 6.130 2.514 4.266 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.378 3.238 5.379 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.776 3.143 2.921 1.00 0.00 C ATOM 0 H VAL A 21 7.936 1.569 6.273 1.00 0.00 H new ATOM 0 HA VAL A 21 8.139 2.662 3.539 1.00 0.00 H new ATOM 0 HB VAL A 21 5.847 1.461 4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.305 3.151 5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.631 2.790 6.340 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.660 4.291 5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.703 3.056 2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.059 4.196 2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.313 2.627 2.125 1.00 0.00 H new ATOM 279 N ALA A 22 8.861 4.728 4.690 1.00 0.00 N ATOM 280 CA ALA A 22 9.256 5.979 5.305 1.00 0.00 C ATOM 281 C ALA A 22 9.066 7.121 4.318 1.00 0.00 C ATOM 282 O ALA A 22 9.739 7.176 3.292 1.00 0.00 O ATOM 283 CB ALA A 22 10.712 5.887 5.752 1.00 0.00 C ATOM 0 H ALA A 22 9.329 4.528 3.806 1.00 0.00 H new ATOM 0 HA ALA A 22 8.633 6.173 6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.011 6.828 6.215 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.821 5.077 6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.346 5.691 4.888 1.00 0.00 H new ATOM 289 N GLY A 23 8.144 8.036 4.630 1.00 0.00 N ATOM 290 CA GLY A 23 7.874 9.169 3.767 1.00 0.00 C ATOM 291 C GLY A 23 8.787 10.333 4.123 1.00 0.00 C ATOM 292 O GLY A 23 9.053 10.580 5.298 1.00 0.00 O ATOM 0 H GLY A 23 7.576 8.006 5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.024 8.885 2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.832 9.471 3.868 1.00 0.00 H new ATOM 296 N ALA A 24 9.268 11.050 3.104 1.00 0.00 N ATOM 297 CA ALA A 24 10.148 12.181 3.313 1.00 0.00 C ATOM 298 C ALA A 24 9.787 13.300 2.347 1.00 0.00 C ATOM 299 O ALA A 24 9.896 13.135 1.134 1.00 0.00 O ATOM 300 CB ALA A 24 11.596 11.742 3.116 1.00 0.00 C ATOM 0 H ALA A 24 9.056 10.858 2.125 1.00 0.00 H new ATOM 0 HA ALA A 24 10.031 12.554 4.330 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.259 12.593 3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.838 10.956 3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.727 11.363 2.102 1.00 0.00 H new ATOM 306 N GLY A 25 9.356 14.443 2.887 1.00 0.00 N ATOM 307 CA GLY A 25 8.983 15.578 2.067 1.00 0.00 C ATOM 308 C GLY A 25 7.471 15.636 1.902 1.00 0.00 C ATOM 309 O GLY A 25 6.968 16.279 0.984 1.00 0.00 O ATOM 0 H GLY A 25 9.260 14.598 3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.341 16.500 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.460 15.502 1.090 1.00 0.00 H new ATOM 313 N LEU A 26 6.746 14.959 2.796 1.00 0.00 N ATOM 314 CA LEU A 26 5.298 14.936 2.747 1.00 0.00 C ATOM 315 C LEU A 26 4.735 16.110 3.535 1.00 0.00 C ATOM 316 O LEU A 26 5.480 16.837 4.188 1.00 0.00 O ATOM 317 CB LEU A 26 4.792 13.612 3.313 1.00 0.00 C ATOM 318 CG LEU A 26 5.904 12.570 3.241 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.686 12.569 4.551 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.294 11.190 3.011 1.00 0.00 C ATOM 0 H LEU A 26 7.149 14.420 3.563 1.00 0.00 H new ATOM 0 HA LEU A 26 4.964 15.026 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.470 13.745 4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.923 13.272 2.750 1.00 0.00 H new ATOM 0 HG LEU A 26 6.576 12.812 2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.481 11.825 4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.122 13.554 4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.015 12.327 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.088 10.445 2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.622 10.947 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.736 11.190 2.075 1.00 0.00 H new ATOM 332 N GLN A 27 3.414 16.294 3.473 1.00 0.00 N ATOM 333 CA GLN A 27 2.760 17.377 4.179 1.00 0.00 C ATOM 334 C GLN A 27 2.920 17.186 5.681 1.00 0.00 C ATOM 335 O GLN A 27 2.493 16.172 6.229 1.00 0.00 O ATOM 336 CB GLN A 27 1.283 17.414 3.794 1.00 0.00 C ATOM 337 CG GLN A 27 1.150 17.817 2.328 1.00 0.00 C ATOM 338 CD GLN A 27 -0.272 17.596 1.832 1.00 0.00 C ATOM 339 OE1 GLN A 27 -0.910 18.523 1.338 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.767 16.363 1.965 1.00 0.00 N ATOM 0 H GLN A 27 2.782 15.700 2.937 1.00 0.00 H new ATOM 0 HA GLN A 27 3.219 18.326 3.903 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.829 16.436 3.956 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.749 18.122 4.427 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.422 18.866 2.209 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.845 17.236 1.722 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.197 15.627 2.382 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.715 16.157 1.650 1.00 0.00 H new ATOM 349 N ALA A 28 3.538 18.165 6.346 1.00 0.00 N ATOM 350 CA ALA A 28 3.752 18.100 7.777 1.00 0.00 C ATOM 351 C ALA A 28 2.414 18.152 8.501 1.00 0.00 C ATOM 352 O ALA A 28 1.543 18.942 8.143 1.00 0.00 O ATOM 353 CB ALA A 28 4.647 19.258 8.210 1.00 0.00 C ATOM 0 H ALA A 28 3.897 19.012 5.906 1.00 0.00 H new ATOM 0 HA ALA A 28 4.245 17.162 8.033 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.809 19.210 9.287 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.606 19.189 7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.167 20.203 7.957 1.00 0.00 H new ATOM 359 N GLY A 29 2.251 17.308 9.523 1.00 0.00 N ATOM 360 CA GLY A 29 1.021 17.266 10.287 1.00 0.00 C ATOM 361 C GLY A 29 -0.103 16.679 9.444 1.00 0.00 C ATOM 362 O GLY A 29 -1.262 16.694 9.853 1.00 0.00 O ATOM 0 H GLY A 29 2.963 16.647 9.834 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.163 16.665 11.185 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.753 18.271 10.614 1.00 0.00 H new ATOM 366 N THR A 30 0.242 16.161 8.263 1.00 0.00 N ATOM 367 CA THR A 30 -0.740 15.574 7.374 1.00 0.00 C ATOM 368 C THR A 30 -0.960 14.112 7.737 1.00 0.00 C ATOM 369 O THR A 30 -0.034 13.431 8.172 1.00 0.00 O ATOM 370 CB THR A 30 -0.261 15.705 5.931 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.375 15.824 5.075 1.00 0.00 O ATOM 372 CG2 THR A 30 0.545 14.468 5.547 1.00 0.00 C ATOM 0 H THR A 30 1.198 16.140 7.908 1.00 0.00 H new ATOM 0 HA THR A 30 -1.689 16.100 7.479 1.00 0.00 H new ATOM 0 HB THR A 30 0.367 16.591 5.836 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.217 15.306 4.258 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.887 14.562 4.516 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.407 14.375 6.208 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.082 13.581 5.642 1.00 0.00 H new ATOM 380 N ALA A 31 -2.193 13.631 7.557 1.00 0.00 N ATOM 381 CA ALA A 31 -2.529 12.256 7.866 1.00 0.00 C ATOM 382 C ALA A 31 -2.446 11.409 6.605 1.00 0.00 C ATOM 383 O ALA A 31 -2.880 11.836 5.538 1.00 0.00 O ATOM 384 CB ALA A 31 -3.932 12.199 8.464 1.00 0.00 C ATOM 0 H ALA A 31 -2.971 14.183 7.197 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.821 11.859 8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.186 11.165 8.697 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.963 12.795 9.376 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.650 12.596 7.746 1.00 0.00 H new ATOM 390 N TYR A 32 -1.885 10.204 6.729 1.00 0.00 N ATOM 391 CA TYR A 32 -1.747 9.307 5.599 1.00 0.00 C ATOM 392 C TYR A 32 -2.249 7.920 5.976 1.00 0.00 C ATOM 393 O TYR A 32 -2.116 7.501 7.124 1.00 0.00 O ATOM 394 CB TYR A 32 -0.284 9.254 5.170 1.00 0.00 C ATOM 395 CG TYR A 32 0.177 10.495 4.444 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.488 10.918 3.287 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.270 11.224 4.929 1.00 0.00 C ATOM 398 CE1 TYR A 32 -0.061 12.069 2.615 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.698 12.375 4.256 1.00 0.00 C ATOM 400 CZ TYR A 32 1.032 12.797 3.099 1.00 0.00 C ATOM 401 OH TYR A 32 1.449 13.919 2.444 1.00 0.00 O ATOM 0 H TYR A 32 -1.521 9.834 7.607 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.345 9.673 4.764 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.340 9.106 6.052 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.134 8.389 4.525 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.331 10.356 2.913 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.783 10.898 5.822 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.575 12.395 1.723 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.541 12.937 4.629 1.00 0.00 H new ATOM 0 HH TYR A 32 0.880 14.071 1.661 1.00 0.00 H new ATOM 411 N ASP A 33 -2.827 7.209 5.006 1.00 0.00 N ATOM 412 CA ASP A 33 -3.346 5.876 5.241 1.00 0.00 C ATOM 413 C ASP A 33 -2.586 4.870 4.389 1.00 0.00 C ATOM 414 O ASP A 33 -2.638 4.929 3.162 1.00 0.00 O ATOM 415 CB ASP A 33 -4.836 5.846 4.914 1.00 0.00 C ATOM 416 CG ASP A 33 -5.669 6.181 6.143 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.411 7.255 6.729 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.549 5.357 6.475 1.00 0.00 O ATOM 0 H ASP A 33 -2.944 7.543 4.049 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.213 5.609 6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.052 6.559 4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.111 4.859 4.541 1.00 0.00 H new ATOM 423 N VAL A 34 -1.879 3.945 5.042 1.00 0.00 N ATOM 424 CA VAL A 34 -1.113 2.933 4.342 1.00 0.00 C ATOM 425 C VAL A 34 -1.907 1.636 4.284 1.00 0.00 C ATOM 426 O VAL A 34 -2.750 1.383 5.141 1.00 0.00 O ATOM 427 CB VAL A 34 0.219 2.721 5.055 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.323 2.515 4.022 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.541 3.946 5.906 1.00 0.00 C ATOM 0 H VAL A 34 -1.826 3.883 6.059 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.915 3.261 3.322 1.00 0.00 H new ATOM 0 HB VAL A 34 0.152 1.841 5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.275 2.364 4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.094 1.640 3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.390 3.394 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.493 3.795 6.416 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.608 4.826 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.247 4.093 6.645 1.00 0.00 H new ATOM 439 N GLY A 35 -1.636 0.811 3.269 1.00 0.00 N ATOM 440 CA GLY A 35 -2.327 -0.452 3.110 1.00 0.00 C ATOM 441 C GLY A 35 -1.823 -1.177 1.870 1.00 0.00 C ATOM 442 O GLY A 35 -1.183 -0.573 1.011 1.00 0.00 O ATOM 0 H GLY A 35 -0.940 1.004 2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.171 -1.073 3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.400 -0.279 3.028 1.00 0.00 H new ATOM 446 N GLN A 36 -2.112 -2.477 1.778 1.00 0.00 N ATOM 447 CA GLN A 36 -1.686 -3.276 0.646 1.00 0.00 C ATOM 448 C GLN A 36 -2.862 -3.511 -0.292 1.00 0.00 C ATOM 449 O GLN A 36 -3.871 -4.087 0.107 1.00 0.00 O ATOM 450 CB GLN A 36 -1.120 -4.602 1.146 1.00 0.00 C ATOM 451 CG GLN A 36 -1.149 -5.627 0.016 1.00 0.00 C ATOM 452 CD GLN A 36 -0.848 -7.023 0.542 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.659 -7.607 1.257 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.323 -7.557 0.187 1.00 0.00 N ATOM 0 H GLN A 36 -2.642 -2.993 2.481 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.908 -2.748 0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.098 -4.463 1.499 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.704 -4.962 1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.128 -5.618 -0.464 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.418 -5.355 -0.746 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.963 -7.032 -0.409 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.577 -8.490 0.512 1.00 0.00 H new ATOM 463 N CYS A 37 -2.728 -3.064 -1.543 1.00 0.00 N ATOM 464 CA CYS A 37 -3.776 -3.228 -2.530 1.00 0.00 C ATOM 465 C CYS A 37 -3.358 -4.273 -3.555 1.00 0.00 C ATOM 466 O CYS A 37 -2.184 -4.624 -3.643 1.00 0.00 O ATOM 467 CB CYS A 37 -4.051 -1.887 -3.205 1.00 0.00 C ATOM 468 SG CYS A 37 -5.506 -1.024 -2.561 1.00 0.00 S ATOM 0 H CYS A 37 -1.897 -2.585 -1.889 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.690 -3.569 -2.044 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.178 -1.246 -3.085 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.182 -2.050 -4.275 1.00 0.00 H new ATOM 473 N ALA A 38 -4.325 -4.769 -4.332 1.00 0.00 N ATOM 474 CA ALA A 38 -4.054 -5.770 -5.344 1.00 0.00 C ATOM 475 C ALA A 38 -5.069 -5.650 -6.472 1.00 0.00 C ATOM 476 O ALA A 38 -6.270 -5.584 -6.223 1.00 0.00 O ATOM 477 CB ALA A 38 -4.107 -7.158 -4.712 1.00 0.00 C ATOM 0 H ALA A 38 -5.303 -4.486 -4.272 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.059 -5.613 -5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.903 -7.912 -5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.359 -7.227 -3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.097 -7.328 -4.289 1.00 0.00 H new ATOM 483 N TRP A 39 -4.583 -5.623 -7.715 1.00 0.00 N ATOM 484 CA TRP A 39 -5.452 -5.513 -8.869 1.00 0.00 C ATOM 485 C TRP A 39 -6.306 -6.767 -8.996 1.00 0.00 C ATOM 486 O TRP A 39 -5.785 -7.880 -8.979 1.00 0.00 O ATOM 487 CB TRP A 39 -4.608 -5.304 -10.123 1.00 0.00 C ATOM 488 CG TRP A 39 -5.209 -5.837 -11.383 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.528 -5.843 -11.677 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.543 -6.444 -12.532 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.722 -6.409 -12.919 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.528 -6.798 -13.492 1.00 0.00 C ATOM 493 CE3 TRP A 39 -3.206 -6.732 -12.860 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -5.208 -7.404 -14.710 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.873 -7.340 -14.079 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.869 -7.677 -15.004 1.00 0.00 C ATOM 0 H TRP A 39 -3.589 -5.676 -7.939 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.116 -4.657 -8.747 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.427 -4.236 -10.247 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.637 -5.776 -9.973 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.310 -5.463 -11.037 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.634 -6.526 -13.360 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.422 -6.481 -12.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.985 -7.658 -15.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.838 -7.550 -14.307 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -3.604 -8.146 -15.940 1.00 0.00 H new ATOM 507 N VAL A 40 -7.622 -6.583 -9.125 1.00 0.00 N ATOM 508 CA VAL A 40 -8.540 -7.696 -9.254 1.00 0.00 C ATOM 509 C VAL A 40 -9.236 -7.635 -10.606 1.00 0.00 C ATOM 510 O VAL A 40 -9.468 -8.666 -11.234 1.00 0.00 O ATOM 511 CB VAL A 40 -9.559 -7.649 -8.119 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.916 -8.168 -6.836 1.00 0.00 C ATOM 513 CG2 VAL A 40 -10.021 -6.210 -7.911 1.00 0.00 C ATOM 0 H VAL A 40 -8.069 -5.666 -9.142 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.990 -8.635 -9.192 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.416 -8.273 -8.373 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.644 -8.135 -6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.585 -9.196 -6.985 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.059 -7.545 -6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.749 -6.175 -7.100 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.164 -5.586 -7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.480 -5.839 -8.827 1.00 0.00 H new ATOM 523 N ASP A 41 -9.569 -6.423 -11.055 1.00 0.00 N ATOM 524 CA ASP A 41 -10.235 -6.234 -12.327 1.00 0.00 C ATOM 525 C ASP A 41 -9.783 -4.924 -12.957 1.00 0.00 C ATOM 526 O ASP A 41 -8.984 -4.196 -12.372 1.00 0.00 O ATOM 527 CB ASP A 41 -11.746 -6.240 -12.115 1.00 0.00 C ATOM 528 CG ASP A 41 -12.396 -7.396 -12.862 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.960 -8.542 -12.623 1.00 0.00 O ATOM 530 OD2 ASP A 41 -13.318 -7.111 -13.657 1.00 0.00 O ATOM 0 H ASP A 41 -9.383 -5.559 -10.546 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.973 -7.048 -13.003 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.967 -6.320 -11.051 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.169 -5.296 -12.459 1.00 0.00 H new ATOM 535 N THR A 42 -10.296 -4.624 -14.152 1.00 0.00 N ATOM 536 CA THR A 42 -9.941 -3.405 -14.848 1.00 0.00 C ATOM 537 C THR A 42 -10.422 -2.197 -14.057 1.00 0.00 C ATOM 538 O THR A 42 -11.623 -1.957 -13.953 1.00 0.00 O ATOM 539 CB THR A 42 -10.560 -3.418 -16.243 1.00 0.00 C ATOM 540 OG1 THR A 42 -10.306 -2.186 -16.881 1.00 0.00 O ATOM 541 CG2 THR A 42 -12.066 -3.631 -16.130 1.00 0.00 C ATOM 0 H THR A 42 -10.960 -5.216 -14.651 1.00 0.00 H new ATOM 0 HA THR A 42 -8.857 -3.341 -14.945 1.00 0.00 H new ATOM 0 HB THR A 42 -10.122 -4.227 -16.827 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.702 -2.194 -17.777 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.508 -3.640 -17.126 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.263 -4.583 -15.637 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.505 -2.822 -15.546 1.00 0.00 H new ATOM 549 N GLY A 43 -9.480 -1.433 -13.498 1.00 0.00 N ATOM 550 CA GLY A 43 -9.816 -0.257 -12.721 1.00 0.00 C ATOM 551 C GLY A 43 -10.447 -0.662 -11.397 1.00 0.00 C ATOM 552 O GLY A 43 -10.943 0.185 -10.657 1.00 0.00 O ATOM 0 H GLY A 43 -8.479 -1.616 -13.574 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.919 0.335 -12.538 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.505 0.374 -13.282 1.00 0.00 H new ATOM 556 N VAL A 44 -10.428 -1.963 -11.099 1.00 0.00 N ATOM 557 CA VAL A 44 -10.997 -2.475 -9.868 1.00 0.00 C ATOM 558 C VAL A 44 -9.887 -2.992 -8.964 1.00 0.00 C ATOM 559 O VAL A 44 -9.335 -4.062 -9.206 1.00 0.00 O ATOM 560 CB VAL A 44 -11.993 -3.585 -10.192 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.545 -4.168 -8.894 1.00 0.00 C ATOM 562 CG2 VAL A 44 -13.139 -3.013 -11.021 1.00 0.00 C ATOM 0 H VAL A 44 -10.021 -2.678 -11.702 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.522 -1.676 -9.345 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.491 -4.370 -10.758 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.256 -4.961 -9.125 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.726 -4.576 -8.301 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -13.047 -3.384 -8.327 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.851 -3.805 -11.253 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.641 -2.228 -10.455 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.745 -2.596 -11.948 1.00 0.00 H new ATOM 572 N LEU A 45 -9.562 -2.228 -7.918 1.00 0.00 N ATOM 573 CA LEU A 45 -8.523 -2.612 -6.984 1.00 0.00 C ATOM 574 C LEU A 45 -9.149 -3.113 -5.691 1.00 0.00 C ATOM 575 O LEU A 45 -10.273 -2.743 -5.359 1.00 0.00 O ATOM 576 CB LEU A 45 -7.614 -1.415 -6.716 1.00 0.00 C ATOM 577 CG LEU A 45 -6.304 -1.591 -7.478 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.668 -0.225 -7.719 1.00 0.00 C ATOM 579 CD2 LEU A 45 -5.352 -2.459 -6.661 1.00 0.00 C ATOM 0 H LEU A 45 -10.011 -1.338 -7.704 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.926 -3.418 -7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.107 -0.494 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.417 -1.326 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.503 -2.073 -8.435 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.732 -0.350 -8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.348 0.395 -8.304 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.469 0.258 -6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.416 -2.585 -7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.153 -1.978 -5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.806 -3.435 -6.490 1.00 0.00 H new ATOM 591 N ALA A 46 -8.418 -3.958 -4.961 1.00 0.00 N ATOM 592 CA ALA A 46 -8.905 -4.506 -3.710 1.00 0.00 C ATOM 593 C ALA A 46 -7.863 -4.305 -2.619 1.00 0.00 C ATOM 594 O ALA A 46 -6.697 -4.650 -2.800 1.00 0.00 O ATOM 595 CB ALA A 46 -9.217 -5.989 -3.893 1.00 0.00 C ATOM 0 H ALA A 46 -7.484 -4.274 -5.223 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.818 -3.990 -3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.583 -6.402 -2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.979 -6.108 -4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.312 -6.517 -4.193 1.00 0.00 H new ATOM 601 N CYS A 47 -8.286 -3.744 -1.484 1.00 0.00 N ATOM 602 CA CYS A 47 -7.390 -3.499 -0.371 1.00 0.00 C ATOM 603 C CYS A 47 -7.690 -4.477 0.755 1.00 0.00 C ATOM 604 O CYS A 47 -8.792 -5.016 0.835 1.00 0.00 O ATOM 605 CB CYS A 47 -7.554 -2.059 0.105 1.00 0.00 C ATOM 606 SG CYS A 47 -6.332 -0.913 -0.582 1.00 0.00 S ATOM 0 H CYS A 47 -9.250 -3.453 -1.319 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.358 -3.647 -0.689 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.552 -1.711 -0.160 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.487 -2.037 1.193 1.00 0.00 H new ATOM 611 N ASN A 48 -6.706 -4.707 1.628 1.00 0.00 N ATOM 612 CA ASN A 48 -6.871 -5.617 2.743 1.00 0.00 C ATOM 613 C ASN A 48 -6.771 -4.854 4.055 1.00 0.00 C ATOM 614 O ASN A 48 -5.715 -4.319 4.387 1.00 0.00 O ATOM 615 CB ASN A 48 -5.806 -6.707 2.669 1.00 0.00 C ATOM 616 CG ASN A 48 -5.756 -7.506 3.964 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.719 -7.516 4.726 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.628 -8.177 4.210 1.00 0.00 N ATOM 0 H ASN A 48 -5.786 -4.269 1.576 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.855 -6.083 2.693 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.020 -7.374 1.834 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.832 -6.257 2.477 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.539 -8.730 5.063 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.855 -8.137 3.545 1.00 0.00 H new ATOM 625 N PRO A 49 -7.876 -4.804 4.804 1.00 0.00 N ATOM 626 CA PRO A 49 -7.967 -4.127 6.079 1.00 0.00 C ATOM 627 C PRO A 49 -7.205 -4.918 7.133 1.00 0.00 C ATOM 628 O PRO A 49 -7.133 -4.507 8.289 1.00 0.00 O ATOM 629 CB PRO A 49 -9.461 -4.091 6.397 1.00 0.00 C ATOM 630 CG PRO A 49 -9.983 -5.352 5.711 1.00 0.00 C ATOM 631 CD PRO A 49 -9.134 -5.421 4.444 1.00 0.00 C ATOM 0 HA PRO A 49 -7.537 -3.126 6.059 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.647 -4.108 7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.936 -3.191 6.006 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.852 -6.236 6.335 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.046 -5.278 5.482 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.990 -6.452 4.121 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.612 -4.892 3.619 1.00 0.00 H new ATOM 639 N ALA A 50 -6.635 -6.056 6.730 1.00 0.00 N ATOM 640 CA ALA A 50 -5.885 -6.899 7.639 1.00 0.00 C ATOM 641 C ALA A 50 -4.415 -6.503 7.615 1.00 0.00 C ATOM 642 O ALA A 50 -3.637 -6.944 8.458 1.00 0.00 O ATOM 643 CB ALA A 50 -6.058 -8.361 7.237 1.00 0.00 C ATOM 0 H ALA A 50 -6.684 -6.408 5.774 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.260 -6.769 8.654 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.494 -8.996 7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.114 -8.628 7.282 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.690 -8.505 6.221 1.00 0.00 H new ATOM 649 N ASP A 51 -4.036 -5.668 6.644 1.00 0.00 N ATOM 650 CA ASP A 51 -2.664 -5.219 6.515 1.00 0.00 C ATOM 651 C ASP A 51 -2.634 -3.715 6.288 1.00 0.00 C ATOM 652 O ASP A 51 -1.690 -3.193 5.699 1.00 0.00 O ATOM 653 CB ASP A 51 -1.997 -5.954 5.356 1.00 0.00 C ATOM 654 CG ASP A 51 -2.787 -5.771 4.068 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.413 -4.697 3.934 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.751 -6.708 3.242 1.00 0.00 O ATOM 0 H ASP A 51 -4.669 -5.293 5.938 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.116 -5.439 7.431 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.982 -5.581 5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.918 -7.015 5.591 1.00 0.00 H new ATOM 661 N PHE A 52 -3.671 -3.017 6.757 1.00 0.00 N ATOM 662 CA PHE A 52 -3.756 -1.579 6.603 1.00 0.00 C ATOM 663 C PHE A 52 -3.283 -0.893 7.877 1.00 0.00 C ATOM 664 O PHE A 52 -3.897 -1.046 8.931 1.00 0.00 O ATOM 665 CB PHE A 52 -5.194 -1.187 6.279 1.00 0.00 C ATOM 666 CG PHE A 52 -5.926 -0.563 7.443 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.490 0.659 7.970 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.038 -1.207 7.998 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.167 1.237 9.051 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.715 -0.629 9.079 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.279 0.593 9.605 1.00 0.00 C ATOM 0 H PHE A 52 -4.462 -3.435 7.247 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.113 -1.259 5.783 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.192 -0.486 5.444 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.738 -2.072 5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.631 1.156 7.543 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.374 -2.150 7.592 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.831 2.180 9.457 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.573 -1.126 9.507 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.801 1.039 10.439 1.00 0.00 H new ATOM 681 N SER A 53 -2.188 -0.135 7.778 1.00 0.00 N ATOM 682 CA SER A 53 -1.642 0.568 8.921 1.00 0.00 C ATOM 683 C SER A 53 -1.995 2.047 8.834 1.00 0.00 C ATOM 684 O SER A 53 -2.629 2.481 7.875 1.00 0.00 O ATOM 685 CB SER A 53 -0.129 0.375 8.960 1.00 0.00 C ATOM 686 OG SER A 53 0.400 1.037 10.088 1.00 0.00 O ATOM 0 H SER A 53 -1.667 0.002 6.912 1.00 0.00 H new ATOM 0 HA SER A 53 -2.070 0.166 9.839 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.112 -0.687 9.002 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.322 0.768 8.049 1.00 0.00 H new ATOM 0 HG SER A 53 1.372 0.912 10.115 1.00 0.00 H new ATOM 692 N SER A 54 -1.581 2.820 9.840 1.00 0.00 N ATOM 693 CA SER A 54 -1.854 4.243 9.871 1.00 0.00 C ATOM 694 C SER A 54 -0.698 4.976 10.538 1.00 0.00 C ATOM 695 O SER A 54 0.007 4.404 11.366 1.00 0.00 O ATOM 696 CB SER A 54 -3.159 4.494 10.621 1.00 0.00 C ATOM 697 OG SER A 54 -2.895 4.592 12.003 1.00 0.00 O ATOM 0 H SER A 54 -1.054 2.475 10.643 1.00 0.00 H new ATOM 0 HA SER A 54 -1.957 4.619 8.853 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.626 5.412 10.263 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.862 3.683 10.431 1.00 0.00 H new ATOM 0 HG SER A 54 -3.732 4.755 12.485 1.00 0.00 H new ATOM 703 N VAL A 55 -0.508 6.247 10.176 1.00 0.00 N ATOM 704 CA VAL A 55 0.558 7.052 10.740 1.00 0.00 C ATOM 705 C VAL A 55 0.334 8.517 10.395 1.00 0.00 C ATOM 706 O VAL A 55 -0.357 8.830 9.428 1.00 0.00 O ATOM 707 CB VAL A 55 1.900 6.567 10.200 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.883 6.617 8.675 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.014 7.468 10.726 1.00 0.00 C ATOM 0 H VAL A 55 -1.085 6.735 9.491 1.00 0.00 H new ATOM 0 HA VAL A 55 0.561 6.952 11.825 1.00 0.00 H new ATOM 0 HB VAL A 55 2.075 5.542 10.528 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.842 6.271 8.289 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.087 5.975 8.299 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.708 7.642 8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.974 7.123 10.341 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.839 8.493 10.398 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.026 7.433 11.815 1.00 0.00 H new ATOM 719 N THR A 56 0.920 9.416 11.189 1.00 0.00 N ATOM 720 CA THR A 56 0.780 10.840 10.959 1.00 0.00 C ATOM 721 C THR A 56 2.154 11.486 10.855 1.00 0.00 C ATOM 722 O THR A 56 2.995 11.311 11.735 1.00 0.00 O ATOM 723 CB THR A 56 -0.024 11.461 12.098 1.00 0.00 C ATOM 724 OG1 THR A 56 -1.330 10.930 12.095 1.00 0.00 O ATOM 725 CG2 THR A 56 -0.089 12.974 11.909 1.00 0.00 C ATOM 0 H THR A 56 1.495 9.174 11.996 1.00 0.00 H new ATOM 0 HA THR A 56 0.250 11.009 10.022 1.00 0.00 H new ATOM 0 HB THR A 56 0.458 11.234 13.049 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.846 11.327 12.827 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.663 13.418 12.722 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.921 13.385 11.911 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.571 13.202 10.958 1.00 0.00 H new ATOM 733 N ALA A 57 2.381 12.236 9.774 1.00 0.00 N ATOM 734 CA ALA A 57 3.649 12.903 9.559 1.00 0.00 C ATOM 735 C ALA A 57 3.929 13.861 10.708 1.00 0.00 C ATOM 736 O ALA A 57 3.114 14.731 11.006 1.00 0.00 O ATOM 737 CB ALA A 57 3.611 13.650 8.229 1.00 0.00 C ATOM 0 H ALA A 57 1.694 12.392 9.036 1.00 0.00 H new ATOM 0 HA ALA A 57 4.451 12.166 9.523 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.565 14.152 8.066 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.431 12.943 7.419 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.810 14.389 8.250 1.00 0.00 H new ATOM 743 N ASP A 58 5.086 13.699 11.354 1.00 0.00 N ATOM 744 CA ASP A 58 5.466 14.547 12.466 1.00 0.00 C ATOM 745 C ASP A 58 5.776 15.949 11.962 1.00 0.00 C ATOM 746 O ASP A 58 5.518 16.264 10.802 1.00 0.00 O ATOM 747 CB ASP A 58 6.677 13.946 13.173 1.00 0.00 C ATOM 748 CG ASP A 58 7.867 13.852 12.228 1.00 0.00 C ATOM 749 OD1 ASP A 58 7.815 14.533 11.182 1.00 0.00 O ATOM 750 OD2 ASP A 58 8.806 13.101 12.570 1.00 0.00 O ATOM 0 H ASP A 58 5.773 12.983 11.118 1.00 0.00 H new ATOM 0 HA ASP A 58 4.643 14.612 13.177 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.940 14.558 14.036 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.428 12.954 13.550 1.00 0.00 H new ATOM 755 N ALA A 59 6.332 16.791 12.836 1.00 0.00 N ATOM 756 CA ALA A 59 6.673 18.152 12.476 1.00 0.00 C ATOM 757 C ALA A 59 7.788 18.147 11.439 1.00 0.00 C ATOM 758 O ALA A 59 7.940 19.105 10.685 1.00 0.00 O ATOM 759 CB ALA A 59 7.100 18.916 13.726 1.00 0.00 C ATOM 0 H ALA A 59 6.553 16.544 13.801 1.00 0.00 H new ATOM 0 HA ALA A 59 5.804 18.647 12.043 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.357 19.940 13.456 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.281 18.925 14.445 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.968 18.429 14.171 1.00 0.00 H new ATOM 765 N ASN A 60 8.568 17.065 11.403 1.00 0.00 N ATOM 766 CA ASN A 60 9.661 16.944 10.460 1.00 0.00 C ATOM 767 C ASN A 60 9.131 16.498 9.105 1.00 0.00 C ATOM 768 O ASN A 60 9.902 16.298 8.169 1.00 0.00 O ATOM 769 CB ASN A 60 10.684 15.945 10.995 1.00 0.00 C ATOM 770 CG ASN A 60 11.995 16.639 11.336 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.005 17.621 12.074 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.102 16.124 10.797 1.00 0.00 N ATOM 0 H ASN A 60 8.455 16.262 12.022 1.00 0.00 H new ATOM 0 HA ASN A 60 10.146 17.912 10.336 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.287 15.452 11.883 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.862 15.168 10.252 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.009 16.548 10.992 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.041 15.307 10.190 1.00 0.00 H new ATOM 779 N GLY A 61 7.809 16.344 9.001 1.00 0.00 N ATOM 780 CA GLY A 61 7.187 15.924 7.761 1.00 0.00 C ATOM 781 C GLY A 61 7.608 14.503 7.414 1.00 0.00 C ATOM 782 O GLY A 61 7.724 14.155 6.241 1.00 0.00 O ATOM 0 H GLY A 61 7.155 16.506 9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.102 15.977 7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.471 16.602 6.956 1.00 0.00 H new ATOM 786 N SER A 62 7.837 13.680 8.441 1.00 0.00 N ATOM 787 CA SER A 62 8.242 12.304 8.240 1.00 0.00 C ATOM 788 C SER A 62 7.323 11.376 9.022 1.00 0.00 C ATOM 789 O SER A 62 6.870 11.720 10.112 1.00 0.00 O ATOM 790 CB SER A 62 9.691 12.131 8.686 1.00 0.00 C ATOM 791 OG SER A 62 10.115 10.815 8.405 1.00 0.00 O ATOM 0 H SER A 62 7.746 13.953 9.420 1.00 0.00 H new ATOM 0 HA SER A 62 8.168 12.050 7.183 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.330 12.848 8.170 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.781 12.334 9.753 1.00 0.00 H new ATOM 0 HG SER A 62 9.894 10.591 7.477 1.00 0.00 H new ATOM 797 N ALA A 63 7.049 10.195 8.463 1.00 0.00 N ATOM 798 CA ALA A 63 6.187 9.225 9.108 1.00 0.00 C ATOM 799 C ALA A 63 6.699 7.818 8.834 1.00 0.00 C ATOM 800 O ALA A 63 6.869 7.431 7.680 1.00 0.00 O ATOM 801 CB ALA A 63 4.760 9.391 8.593 1.00 0.00 C ATOM 0 H ALA A 63 7.418 9.895 7.561 1.00 0.00 H new ATOM 0 HA ALA A 63 6.191 9.389 10.186 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.111 8.662 9.078 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.407 10.397 8.818 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.742 9.233 7.515 1.00 0.00 H new ATOM 807 N SER A 64 6.944 7.052 9.900 1.00 0.00 N ATOM 808 CA SER A 64 7.434 5.695 9.767 1.00 0.00 C ATOM 809 C SER A 64 6.335 4.710 10.142 1.00 0.00 C ATOM 810 O SER A 64 5.669 4.879 11.161 1.00 0.00 O ATOM 811 CB SER A 64 8.656 5.506 10.661 1.00 0.00 C ATOM 812 OG SER A 64 8.269 5.603 12.013 1.00 0.00 O ATOM 0 H SER A 64 6.808 7.358 10.864 1.00 0.00 H new ATOM 0 HA SER A 64 7.724 5.509 8.733 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.112 4.534 10.471 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.408 6.261 10.432 1.00 0.00 H new ATOM 0 HG SER A 64 7.341 5.302 12.110 1.00 0.00 H new ATOM 818 N THR A 65 6.147 3.679 9.316 1.00 0.00 N ATOM 819 CA THR A 65 5.132 2.676 9.568 1.00 0.00 C ATOM 820 C THR A 65 5.584 1.331 9.020 1.00 0.00 C ATOM 821 O THR A 65 6.405 1.273 8.107 1.00 0.00 O ATOM 822 CB THR A 65 3.819 3.109 8.923 1.00 0.00 C ATOM 823 OG1 THR A 65 2.865 3.371 9.928 1.00 0.00 O ATOM 824 CG2 THR A 65 3.307 1.995 8.014 1.00 0.00 C ATOM 0 H THR A 65 6.690 3.524 8.467 1.00 0.00 H new ATOM 0 HA THR A 65 4.978 2.573 10.642 1.00 0.00 H new ATOM 0 HB THR A 65 3.984 4.012 8.335 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.983 3.494 9.518 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.369 2.304 7.553 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.044 1.792 7.237 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.142 1.092 8.602 1.00 0.00 H new ATOM 832 N SER A 66 5.045 0.245 9.580 1.00 0.00 N ATOM 833 CA SER A 66 5.394 -1.092 9.144 1.00 0.00 C ATOM 834 C SER A 66 4.203 -1.736 8.449 1.00 0.00 C ATOM 835 O SER A 66 3.141 -1.892 9.048 1.00 0.00 O ATOM 836 CB SER A 66 5.830 -1.921 10.349 1.00 0.00 C ATOM 837 OG SER A 66 5.919 -1.089 11.484 1.00 0.00 O ATOM 0 H SER A 66 4.364 0.275 10.338 1.00 0.00 H new ATOM 0 HA SER A 66 6.220 -1.043 8.434 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.116 -2.724 10.529 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.794 -2.390 10.152 1.00 0.00 H new ATOM 0 HG SER A 66 6.197 -1.621 12.259 1.00 0.00 H new ATOM 843 N LEU A 67 4.382 -2.112 7.180 1.00 0.00 N ATOM 844 CA LEU A 67 3.325 -2.737 6.411 1.00 0.00 C ATOM 845 C LEU A 67 3.597 -4.229 6.278 1.00 0.00 C ATOM 846 O LEU A 67 4.732 -4.673 6.438 1.00 0.00 O ATOM 847 CB LEU A 67 3.239 -2.079 5.037 1.00 0.00 C ATOM 848 CG LEU A 67 1.775 -1.941 4.630 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.595 -0.674 3.799 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.360 -3.155 3.804 1.00 0.00 C ATOM 0 H LEU A 67 5.257 -1.990 6.669 1.00 0.00 H new ATOM 0 HA LEU A 67 2.372 -2.606 6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.715 -1.099 5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.777 -2.677 4.301 1.00 0.00 H new ATOM 0 HG LEU A 67 1.154 -1.880 5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.549 -0.575 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.891 0.193 4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.216 -0.734 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.314 -3.057 3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.981 -3.217 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.488 -4.060 4.398 1.00 0.00 H new ATOM 862 N THR A 68 2.550 -5.004 5.985 1.00 0.00 N ATOM 863 CA THR A 68 2.685 -6.439 5.832 1.00 0.00 C ATOM 864 C THR A 68 2.147 -6.869 4.475 1.00 0.00 C ATOM 865 O THR A 68 1.060 -6.457 4.076 1.00 0.00 O ATOM 866 CB THR A 68 1.933 -7.142 6.959 1.00 0.00 C ATOM 867 OG1 THR A 68 1.678 -8.479 6.590 1.00 0.00 O ATOM 868 CG2 THR A 68 0.612 -6.424 7.215 1.00 0.00 C ATOM 0 H THR A 68 1.602 -4.653 5.850 1.00 0.00 H new ATOM 0 HA THR A 68 3.738 -6.716 5.886 1.00 0.00 H new ATOM 0 HB THR A 68 2.537 -7.124 7.866 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.497 -9.011 7.393 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.075 -6.926 8.020 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.809 -5.390 7.500 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.007 -6.442 6.309 1.00 0.00 H new ATOM 876 N VAL A 69 2.913 -7.701 3.765 1.00 0.00 N ATOM 877 CA VAL A 69 2.512 -8.184 2.459 1.00 0.00 C ATOM 878 C VAL A 69 2.017 -9.619 2.570 1.00 0.00 C ATOM 879 O VAL A 69 2.688 -10.465 3.156 1.00 0.00 O ATOM 880 CB VAL A 69 3.694 -8.091 1.499 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.979 -7.875 2.293 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.802 -9.386 0.699 1.00 0.00 C ATOM 0 H VAL A 69 3.817 -8.051 4.082 1.00 0.00 H new ATOM 0 HA VAL A 69 1.699 -7.570 2.073 1.00 0.00 H new ATOM 0 HB VAL A 69 3.543 -7.254 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.824 -7.809 1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.902 -6.950 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.130 -8.712 2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.646 -9.320 0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.953 -10.223 1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.884 -9.541 0.131 1.00 0.00 H new ATOM 892 N ARG A 70 0.840 -9.891 2.002 1.00 0.00 N ATOM 893 CA ARG A 70 0.262 -11.220 2.040 1.00 0.00 C ATOM 894 C ARG A 70 0.278 -11.829 0.646 1.00 0.00 C ATOM 895 O ARG A 70 0.534 -11.133 -0.335 1.00 0.00 O ATOM 896 CB ARG A 70 -1.164 -11.138 2.578 1.00 0.00 C ATOM 897 CG ARG A 70 -1.151 -11.355 4.088 1.00 0.00 C ATOM 898 CD ARG A 70 -0.052 -10.503 4.716 1.00 0.00 C ATOM 899 NE ARG A 70 -0.262 -10.352 6.156 1.00 0.00 N ATOM 900 CZ ARG A 70 0.006 -11.327 7.035 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.490 -12.501 6.606 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.209 -11.129 8.343 1.00 0.00 N ATOM 0 H ARG A 70 0.273 -9.200 1.510 1.00 0.00 H new ATOM 0 HA ARG A 70 0.850 -11.858 2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.597 -10.166 2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.789 -11.890 2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.119 -11.089 4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.983 -12.408 4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.919 -10.963 4.533 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.033 -9.521 4.243 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.628 -9.467 6.506 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.654 -12.652 5.611 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.694 -13.244 7.275 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.577 -10.236 8.670 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.005 -11.872 9.012 1.00 0.00 H new ATOM 916 N ARG A 71 0.002 -13.132 0.559 1.00 0.00 N ATOM 917 CA ARG A 71 -0.013 -13.827 -0.713 1.00 0.00 C ATOM 918 C ARG A 71 -1.439 -13.910 -1.238 1.00 0.00 C ATOM 919 O ARG A 71 -1.661 -14.322 -2.374 1.00 0.00 O ATOM 920 CB ARG A 71 0.579 -15.223 -0.535 1.00 0.00 C ATOM 921 CG ARG A 71 -0.262 -16.008 0.467 1.00 0.00 C ATOM 922 CD ARG A 71 0.151 -17.477 0.438 1.00 0.00 C ATOM 923 NE ARG A 71 -0.541 -18.238 1.478 1.00 0.00 N ATOM 924 CZ ARG A 71 -0.164 -19.469 1.849 1.00 0.00 C ATOM 925 NH1 ARG A 71 0.889 -20.053 1.260 1.00 0.00 N ATOM 926 NH2 ARG A 71 -0.839 -20.117 2.808 1.00 0.00 N ATOM 0 H ARG A 71 -0.214 -13.722 1.363 1.00 0.00 H new ATOM 0 HA ARG A 71 0.589 -13.280 -1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.604 -15.744 -1.492 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.609 -15.151 -0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.127 -15.601 1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.320 -15.912 0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.075 -17.902 -0.540 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.229 -17.558 0.580 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.345 -17.813 1.941 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.403 -19.560 0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.176 -20.990 1.542 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.641 -19.673 3.256 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.551 -21.054 3.090 1.00 0.00 H new ATOM 940 N SER A 72 -2.407 -13.515 -0.408 1.00 0.00 N ATOM 941 CA SER A 72 -3.803 -13.545 -0.794 1.00 0.00 C ATOM 942 C SER A 72 -4.660 -12.959 0.320 1.00 0.00 C ATOM 943 O SER A 72 -4.343 -13.113 1.497 1.00 0.00 O ATOM 944 CB SER A 72 -4.216 -14.983 -1.093 1.00 0.00 C ATOM 945 OG SER A 72 -5.620 -15.092 -1.024 1.00 0.00 O ATOM 0 H SER A 72 -2.240 -13.171 0.537 1.00 0.00 H new ATOM 0 HA SER A 72 -3.949 -12.944 -1.692 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.866 -15.275 -2.083 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.752 -15.662 -0.378 1.00 0.00 H new ATOM 0 HG SER A 72 -6.029 -14.452 -1.644 1.00 0.00 H new ATOM 951 N PHE A 73 -5.749 -12.284 -0.055 1.00 0.00 N ATOM 952 CA PHE A 73 -6.644 -11.682 0.913 1.00 0.00 C ATOM 953 C PHE A 73 -7.831 -11.053 0.198 1.00 0.00 C ATOM 954 O PHE A 73 -7.807 -10.886 -1.020 1.00 0.00 O ATOM 955 CB PHE A 73 -5.883 -10.635 1.723 1.00 0.00 C ATOM 956 CG PHE A 73 -5.082 -9.680 0.873 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.733 -8.684 0.135 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.687 -9.788 0.824 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.989 -7.796 -0.652 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.943 -8.901 0.037 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.594 -7.905 -0.701 1.00 0.00 C ATOM 0 H PHE A 73 -6.025 -12.145 -1.027 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.020 -12.447 1.592 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.593 -10.066 2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.212 -11.141 2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.809 -8.601 0.173 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.185 -10.556 1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.491 -7.027 -1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.867 -8.985 -0.001 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.020 -7.221 -1.308 1.00 0.00 H new ATOM 971 N GLU A 74 -8.871 -10.702 0.957 1.00 0.00 N ATOM 972 CA GLU A 74 -10.058 -10.094 0.391 1.00 0.00 C ATOM 973 C GLU A 74 -9.701 -8.763 -0.255 1.00 0.00 C ATOM 974 O GLU A 74 -9.088 -7.906 0.378 1.00 0.00 O ATOM 975 CB GLU A 74 -11.102 -9.900 1.487 1.00 0.00 C ATOM 976 CG GLU A 74 -10.448 -9.250 2.703 1.00 0.00 C ATOM 977 CD GLU A 74 -10.512 -10.172 3.912 1.00 0.00 C ATOM 978 OE1 GLU A 74 -10.053 -11.326 3.771 1.00 0.00 O ATOM 979 OE2 GLU A 74 -11.020 -9.705 4.955 1.00 0.00 O ATOM 0 H GLU A 74 -8.907 -10.833 1.968 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.473 -10.747 -0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.917 -9.275 1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.537 -10.860 1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.409 -9.011 2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.949 -8.309 2.931 1.00 0.00 H new ATOM 986 N GLY A 75 -10.087 -8.589 -1.522 1.00 0.00 N ATOM 987 CA GLY A 75 -9.805 -7.363 -2.242 1.00 0.00 C ATOM 988 C GLY A 75 -10.853 -6.307 -1.917 1.00 0.00 C ATOM 989 O GLY A 75 -11.903 -6.255 -2.554 1.00 0.00 O ATOM 0 H GLY A 75 -10.596 -9.288 -2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.814 -6.996 -1.975 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.795 -7.557 -3.315 1.00 0.00 H new ATOM 993 N PHE A 76 -10.565 -5.465 -0.922 1.00 0.00 N ATOM 994 CA PHE A 76 -11.483 -4.418 -0.520 1.00 0.00 C ATOM 995 C PHE A 76 -11.288 -3.193 -1.403 1.00 0.00 C ATOM 996 O PHE A 76 -10.357 -2.418 -1.196 1.00 0.00 O ATOM 997 CB PHE A 76 -11.245 -4.071 0.947 1.00 0.00 C ATOM 998 CG PHE A 76 -12.453 -4.300 1.824 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.566 -3.458 1.717 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.458 -5.354 2.746 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.684 -3.669 2.532 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.577 -5.565 3.561 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.690 -4.723 3.453 1.00 0.00 C ATOM 0 H PHE A 76 -9.699 -5.495 -0.384 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.510 -4.764 -0.636 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.414 -4.668 1.323 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.945 -3.026 1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.562 -2.645 1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.599 -6.004 2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.542 -3.018 2.450 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.581 -6.377 4.273 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.554 -4.887 4.081 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.170 -3.021 -2.390 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.092 -1.894 -3.298 1.00 0.00 C ATOM 1015 C LEU A 77 -12.135 -0.592 -2.511 1.00 0.00 C ATOM 1016 O LEU A 77 -13.001 -0.408 -1.658 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.247 -1.962 -4.294 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.611 -0.551 -4.746 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.429 0.068 -5.486 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -14.819 -0.612 -5.677 1.00 0.00 C ATOM 0 H LEU A 77 -12.947 -3.656 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.152 -1.931 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.965 -2.570 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.111 -2.442 -3.834 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.853 0.058 -3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.689 1.076 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.566 0.111 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.186 -0.541 -6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.080 0.396 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.577 -1.222 -6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.664 -1.054 -5.148 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.197 0.313 -2.799 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.135 1.590 -2.117 1.00 0.00 C ATOM 1034 C PHE A 78 -12.518 2.226 -2.083 1.00 0.00 C ATOM 1035 O PHE A 78 -12.880 2.879 -1.107 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.139 2.499 -2.832 1.00 0.00 C ATOM 1037 CG PHE A 78 -8.717 2.329 -2.354 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.384 2.625 -1.027 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -7.732 1.872 -3.238 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.066 2.464 -0.583 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -6.414 1.711 -2.794 1.00 0.00 C ATOM 1042 CZ PHE A 78 -6.081 2.008 -1.467 1.00 0.00 C ATOM 0 H PHE A 78 -10.472 0.176 -3.503 1.00 0.00 H new ATOM 0 HA PHE A 78 -10.801 1.442 -1.090 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.180 2.299 -3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -10.440 3.537 -2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -9.144 2.978 -0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -7.989 1.644 -4.262 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.809 2.692 0.441 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.654 1.358 -3.475 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.064 1.885 -1.125 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.292 2.032 -3.154 1.00 0.00 N ATOM 1053 CA ASP A 79 -14.628 2.587 -3.241 1.00 0.00 C ATOM 1054 C ASP A 79 -15.468 2.091 -2.073 1.00 0.00 C ATOM 1055 O ASP A 79 -16.514 2.662 -1.773 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.259 2.184 -4.571 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.131 3.303 -5.120 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -15.556 4.366 -5.440 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.357 3.076 -5.210 1.00 0.00 O ATOM 0 H ASP A 79 -13.007 1.492 -3.971 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.579 3.675 -3.192 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.477 1.941 -5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.858 1.284 -4.436 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.009 1.025 -1.413 1.00 0.00 N ATOM 1065 CA GLY A 80 -15.724 0.464 -0.284 1.00 0.00 C ATOM 1066 C GLY A 80 -16.567 -0.722 -0.731 1.00 0.00 C ATOM 1067 O GLY A 80 -17.590 -1.025 -0.120 1.00 0.00 O ATOM 0 H GLY A 80 -14.144 0.539 -1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.017 0.148 0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.363 1.224 0.165 1.00 0.00 H new ATOM 1071 N THR A 81 -16.136 -1.395 -1.800 1.00 0.00 N ATOM 1072 CA THR A 81 -16.853 -2.541 -2.319 1.00 0.00 C ATOM 1073 C THR A 81 -16.002 -3.794 -2.176 1.00 0.00 C ATOM 1074 O THR A 81 -14.775 -3.723 -2.212 1.00 0.00 O ATOM 1075 CB THR A 81 -17.213 -2.296 -3.782 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.506 -1.739 -3.861 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.182 -3.619 -4.542 1.00 0.00 C ATOM 0 H THR A 81 -15.290 -1.158 -2.318 1.00 0.00 H new ATOM 0 HA THR A 81 -17.772 -2.685 -1.751 1.00 0.00 H new ATOM 0 HB THR A 81 -16.493 -1.607 -4.223 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.737 -1.580 -4.800 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.439 -3.445 -5.587 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.183 -4.050 -4.481 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.902 -4.309 -4.102 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.656 -4.946 -2.013 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.959 -6.208 -1.864 1.00 0.00 C ATOM 1087 C ARG A 82 -15.707 -6.822 -3.234 1.00 0.00 C ATOM 1088 O ARG A 82 -16.586 -7.472 -3.796 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.790 -7.148 -0.996 1.00 0.00 C ATOM 1090 CG ARG A 82 -16.346 -7.022 0.459 1.00 0.00 C ATOM 1091 CD ARG A 82 -16.044 -8.409 1.020 1.00 0.00 C ATOM 1092 NE ARG A 82 -16.475 -8.517 2.414 1.00 0.00 N ATOM 1093 CZ ARG A 82 -17.754 -8.384 2.790 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -18.701 -8.143 1.873 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -18.087 -8.492 4.084 1.00 0.00 N ATOM 0 H ARG A 82 -17.673 -5.022 -1.982 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.997 -6.042 -1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.848 -6.904 -1.087 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.670 -8.176 -1.336 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.461 -6.390 0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.127 -6.542 1.049 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.549 -9.166 0.420 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.975 -8.608 0.950 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.772 -8.701 3.130 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.448 -8.061 0.888 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.675 -8.042 2.160 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.367 -8.675 4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -19.061 -8.391 4.370 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.503 -6.615 -3.772 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.146 -7.151 -5.070 1.00 0.00 C ATOM 1111 C TRP A 83 -14.089 -8.671 -5.004 1.00 0.00 C ATOM 1112 O TRP A 83 -14.779 -9.354 -5.757 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.801 -6.577 -5.504 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.073 -7.385 -6.530 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -11.029 -8.206 -6.281 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.311 -7.469 -7.968 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -10.608 -8.787 -7.458 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -11.365 -8.367 -8.532 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.229 -6.878 -8.854 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -11.330 -8.663 -9.897 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -13.203 -7.168 -10.226 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -12.258 -8.058 -10.750 1.00 0.00 C ATOM 0 H TRP A 83 -13.763 -6.077 -3.321 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.900 -6.868 -5.804 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.961 -5.574 -5.899 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -12.165 -6.475 -4.625 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -10.592 -8.380 -5.309 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -9.833 -9.446 -7.526 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -13.967 -6.189 -8.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -10.595 -9.351 -10.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.919 -6.700 -10.885 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -12.246 -8.276 -11.808 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.261 -9.200 -4.100 1.00 0.00 N ATOM 1134 CA GLY A 84 -13.121 -10.634 -3.944 1.00 0.00 C ATOM 1135 C GLY A 84 -11.693 -10.985 -3.552 1.00 0.00 C ATOM 1136 O GLY A 84 -10.802 -10.140 -3.619 1.00 0.00 O ATOM 0 H GLY A 84 -12.680 -8.649 -3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.813 -10.993 -3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.383 -11.135 -4.876 1.00 0.00 H new ATOM 1140 N THR A 85 -11.475 -12.236 -3.140 1.00 0.00 N ATOM 1141 CA THR A 85 -10.157 -12.688 -2.741 1.00 0.00 C ATOM 1142 C THR A 85 -9.161 -12.439 -3.864 1.00 0.00 C ATOM 1143 O THR A 85 -9.495 -12.586 -5.038 1.00 0.00 O ATOM 1144 CB THR A 85 -10.214 -14.172 -2.389 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.522 -14.508 -1.981 1.00 0.00 O ATOM 1146 CG2 THR A 85 -9.237 -14.463 -1.254 1.00 0.00 C ATOM 0 H THR A 85 -12.202 -12.949 -3.077 1.00 0.00 H new ATOM 0 HA THR A 85 -9.829 -12.131 -1.863 1.00 0.00 H new ATOM 0 HB THR A 85 -9.942 -14.764 -3.263 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.560 -15.461 -1.756 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.277 -15.523 -1.002 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.226 -14.203 -1.568 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.509 -13.872 -0.380 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.933 -12.061 -3.501 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.895 -11.794 -4.476 1.00 0.00 C ATOM 1156 C VAL A 86 -5.652 -12.604 -4.139 1.00 0.00 C ATOM 1157 O VAL A 86 -5.437 -12.964 -2.984 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.581 -10.300 -4.487 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -6.897 -9.703 -3.119 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.103 -10.094 -4.803 1.00 0.00 C ATOM 0 H VAL A 86 -7.641 -11.935 -2.532 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.238 -12.087 -5.468 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.187 -9.807 -5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.673 -8.636 -3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.953 -9.850 -2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.291 -10.195 -2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.878 -9.028 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.496 -10.587 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.877 -10.520 -5.781 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.831 -12.890 -5.152 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.615 -13.655 -4.958 1.00 0.00 C ATOM 1172 C ASP A 87 -2.404 -12.775 -5.230 1.00 0.00 C ATOM 1173 O ASP A 87 -2.049 -12.544 -6.384 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.624 -14.866 -5.887 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.001 -16.130 -5.129 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -3.079 -16.738 -4.544 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -5.206 -16.465 -5.148 1.00 0.00 O ATOM 0 H ASP A 87 -4.995 -12.598 -6.116 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.560 -14.005 -3.927 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.331 -14.700 -6.700 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.640 -14.989 -6.340 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.769 -12.284 -4.163 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.603 -11.433 -4.291 1.00 0.00 C ATOM 1184 C CYS A 88 0.443 -12.121 -5.157 1.00 0.00 C ATOM 1185 O CYS A 88 1.263 -11.458 -5.789 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.042 -11.128 -2.905 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.478 -9.486 -2.281 1.00 0.00 S ATOM 0 H CYS A 88 -2.051 -12.467 -3.200 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.883 -10.494 -4.769 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.404 -11.880 -2.204 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.044 -11.217 -2.936 1.00 0.00 H new ATOM 1192 N THR A 89 0.415 -13.456 -5.185 1.00 0.00 N ATOM 1193 CA THR A 89 1.360 -14.220 -5.974 1.00 0.00 C ATOM 1194 C THR A 89 0.875 -14.319 -7.413 1.00 0.00 C ATOM 1195 O THR A 89 1.528 -14.939 -8.250 1.00 0.00 O ATOM 1196 CB THR A 89 1.525 -15.609 -5.362 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.269 -16.246 -5.299 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.102 -15.480 -3.955 1.00 0.00 C ATOM 0 H THR A 89 -0.256 -14.023 -4.667 1.00 0.00 H new ATOM 0 HA THR A 89 2.328 -13.718 -5.974 1.00 0.00 H new ATOM 0 HB THR A 89 2.202 -16.200 -5.979 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.374 -17.138 -4.908 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.220 -16.471 -3.518 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.073 -14.987 -4.004 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.426 -14.889 -3.337 1.00 0.00 H new ATOM 1206 N THR A 90 -0.274 -13.705 -7.700 1.00 0.00 N ATOM 1207 CA THR A 90 -0.836 -13.727 -9.036 1.00 0.00 C ATOM 1208 C THR A 90 -0.916 -12.312 -9.589 1.00 0.00 C ATOM 1209 O THR A 90 -0.864 -12.112 -10.801 1.00 0.00 O ATOM 1210 CB THR A 90 -2.220 -14.370 -8.993 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.085 -15.765 -8.833 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.958 -14.077 -10.296 1.00 0.00 C ATOM 0 H THR A 90 -0.829 -13.187 -7.018 1.00 0.00 H new ATOM 0 HA THR A 90 -0.195 -14.315 -9.693 1.00 0.00 H new ATOM 0 HB THR A 90 -2.785 -13.961 -8.156 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.973 -16.178 -8.804 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.946 -14.536 -10.266 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.062 -12.999 -10.421 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.394 -14.486 -11.134 1.00 0.00 H new ATOM 1220 N ALA A 91 -1.044 -11.328 -8.696 1.00 0.00 N ATOM 1221 CA ALA A 91 -1.132 -9.938 -9.097 1.00 0.00 C ATOM 1222 C ALA A 91 -0.061 -9.127 -8.382 1.00 0.00 C ATOM 1223 O ALA A 91 0.661 -9.655 -7.539 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.523 -9.403 -8.773 1.00 0.00 C ATOM 0 H ALA A 91 -1.088 -11.478 -7.688 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.967 -9.854 -10.171 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.590 -8.358 -9.074 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.271 -9.985 -9.312 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.703 -9.484 -7.701 1.00 0.00 H new ATOM 1230 N ALA A 92 0.040 -7.839 -8.720 1.00 0.00 N ATOM 1231 CA ALA A 92 1.021 -6.964 -8.111 1.00 0.00 C ATOM 1232 C ALA A 92 0.379 -6.181 -6.975 1.00 0.00 C ATOM 1233 O ALA A 92 -0.610 -5.481 -7.182 1.00 0.00 O ATOM 1234 CB ALA A 92 1.584 -6.018 -9.169 1.00 0.00 C ATOM 0 H ALA A 92 -0.552 -7.386 -9.416 1.00 0.00 H new ATOM 0 HA ALA A 92 1.838 -7.557 -7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.322 -5.359 -8.712 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.057 -6.598 -9.961 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.775 -5.420 -9.590 1.00 0.00 H new ATOM 1240 N CYS A 93 0.943 -6.302 -5.771 1.00 0.00 N ATOM 1241 CA CYS A 93 0.424 -5.608 -4.609 1.00 0.00 C ATOM 1242 C CYS A 93 1.322 -4.426 -4.273 1.00 0.00 C ATOM 1243 O CYS A 93 2.514 -4.445 -4.571 1.00 0.00 O ATOM 1244 CB CYS A 93 0.341 -6.577 -3.433 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.663 -8.047 -3.761 1.00 0.00 S ATOM 0 H CYS A 93 1.763 -6.879 -5.584 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.576 -5.231 -4.821 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.349 -6.891 -3.162 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.072 -6.052 -2.571 1.00 0.00 H new ATOM 1250 N GLN A 94 0.747 -3.395 -3.649 1.00 0.00 N ATOM 1251 CA GLN A 94 1.496 -2.213 -3.277 1.00 0.00 C ATOM 1252 C GLN A 94 0.990 -1.677 -1.945 1.00 0.00 C ATOM 1253 O GLN A 94 -0.207 -1.727 -1.669 1.00 0.00 O ATOM 1254 CB GLN A 94 1.356 -1.159 -4.372 1.00 0.00 C ATOM 1255 CG GLN A 94 0.323 -0.119 -3.949 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.270 0.582 -5.163 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.455 0.954 -6.083 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.593 0.763 -5.163 1.00 0.00 N ATOM 0 H GLN A 94 -0.240 -3.364 -3.394 1.00 0.00 H new ATOM 0 HA GLN A 94 2.550 -2.466 -3.166 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.317 -0.679 -4.554 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.052 -1.629 -5.307 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.471 -0.600 -3.378 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.788 0.615 -3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.152 0.436 -4.375 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.044 1.228 -5.951 1.00 0.00 H new ATOM 1267 N VAL A 95 1.905 -1.164 -1.120 1.00 0.00 N ATOM 1268 CA VAL A 95 1.548 -0.622 0.176 1.00 0.00 C ATOM 1269 C VAL A 95 1.520 0.898 0.109 1.00 0.00 C ATOM 1270 O VAL A 95 2.233 1.499 -0.691 1.00 0.00 O ATOM 1271 CB VAL A 95 2.554 -1.099 1.220 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.566 -0.126 2.396 1.00 0.00 C ATOM 1273 CG2 VAL A 95 2.156 -2.487 1.713 1.00 0.00 C ATOM 0 H VAL A 95 2.901 -1.116 -1.335 1.00 0.00 H new ATOM 0 HA VAL A 95 0.556 -0.972 0.460 1.00 0.00 H new ATOM 0 HB VAL A 95 3.548 -1.143 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.284 -0.466 3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.850 0.866 2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.572 -0.082 2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.874 -2.828 2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.163 -2.444 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.147 -3.182 0.874 1.00 0.00 H new ATOM 1283 N GLY A 96 0.692 1.521 0.952 1.00 0.00 N ATOM 1284 CA GLY A 96 0.579 2.965 0.979 1.00 0.00 C ATOM 1285 C GLY A 96 -0.410 3.397 2.053 1.00 0.00 C ATOM 1286 O GLY A 96 -1.094 2.563 2.642 1.00 0.00 O ATOM 0 H GLY A 96 0.093 1.039 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.555 3.409 1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.251 3.329 0.005 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.483 4.705 2.307 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.386 5.241 3.306 1.00 0.00 C ATOM 1292 C LEU A 97 -2.223 6.359 2.700 1.00 0.00 C ATOM 1293 O LEU A 97 -1.747 7.098 1.842 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.580 5.754 4.496 1.00 0.00 C ATOM 1295 CG LEU A 97 0.480 6.737 4.006 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.596 7.895 4.992 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.825 6.022 3.899 1.00 0.00 C ATOM 0 H LEU A 97 0.079 5.409 1.828 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.060 4.456 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.240 6.242 5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.106 4.920 5.015 1.00 0.00 H new ATOM 0 HG LEU A 97 0.194 7.122 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.353 8.597 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.364 8.405 5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.882 7.512 5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.583 6.723 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.111 5.637 4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.742 5.195 3.194 1.00 0.00 H new ATOM 1309 N SER A 98 -3.474 6.480 3.150 1.00 0.00 N ATOM 1310 CA SER A 98 -4.368 7.505 2.651 1.00 0.00 C ATOM 1311 C SER A 98 -4.871 8.359 3.807 1.00 0.00 C ATOM 1312 O SER A 98 -4.940 7.892 4.942 1.00 0.00 O ATOM 1313 CB SER A 98 -5.534 6.849 1.916 1.00 0.00 C ATOM 1314 OG SER A 98 -5.124 6.483 0.618 1.00 0.00 O ATOM 0 H SER A 98 -3.884 5.875 3.861 1.00 0.00 H new ATOM 0 HA SER A 98 -3.834 8.151 1.954 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.874 5.970 2.463 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.378 7.537 1.862 1.00 0.00 H new ATOM 0 HG SER A 98 -5.871 6.060 0.146 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.224 9.613 3.516 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.717 10.523 4.529 1.00 0.00 C ATOM 1322 C ASP A 99 -7.177 10.856 4.255 1.00 0.00 C ATOM 1323 O ASP A 99 -7.839 10.165 3.484 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.865 11.789 4.533 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.466 12.852 3.625 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.613 12.552 2.421 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.767 13.945 4.153 1.00 0.00 O ATOM 0 H ASP A 99 -5.174 10.014 2.580 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.650 10.053 5.510 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.786 12.176 5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.854 11.552 4.202 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.678 11.919 4.889 1.00 0.00 N ATOM 1333 CA ALA A 100 -9.054 12.337 4.712 1.00 0.00 C ATOM 1334 C ALA A 100 -9.305 12.675 3.249 1.00 0.00 C ATOM 1335 O ALA A 100 -10.279 12.209 2.661 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.338 13.543 5.603 1.00 0.00 C ATOM 0 H ALA A 100 -7.141 12.503 5.531 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.724 11.526 4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.373 13.858 5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.172 13.272 6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.672 14.362 5.330 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.424 13.489 2.663 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.556 13.887 1.276 1.00 0.00 C ATOM 1344 C ALA A 101 -8.244 12.704 0.370 1.00 0.00 C ATOM 1345 O ALA A 101 -8.723 12.643 -0.760 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.612 15.051 0.990 1.00 0.00 C ATOM 0 H ALA A 101 -7.611 13.882 3.137 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.579 14.210 1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.710 15.351 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.866 15.892 1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.585 14.742 1.183 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.439 11.763 0.867 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.071 10.592 0.097 1.00 0.00 C ATOM 1354 C GLY A 102 -5.707 10.792 -0.549 1.00 0.00 C ATOM 1355 O GLY A 102 -5.530 10.512 -1.732 1.00 0.00 O ATOM 0 H GLY A 102 -7.033 11.797 1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.050 9.715 0.744 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.821 10.403 -0.671 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.740 11.278 0.233 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.400 11.512 -0.266 1.00 0.00 C ATOM 1361 C ASN A 103 -2.402 10.663 0.510 1.00 0.00 C ATOM 1362 O ASN A 103 -2.735 10.110 1.556 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.063 12.994 -0.138 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.616 13.567 1.159 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.499 14.421 1.136 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.094 13.094 2.293 1.00 0.00 N ATOM 0 H ASN A 103 -4.870 11.515 1.217 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.346 11.229 -1.317 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -1.982 13.129 -0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.476 13.540 -0.986 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.427 13.442 3.192 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -2.362 12.384 2.260 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.175 10.562 -0.005 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.139 9.782 0.644 1.00 0.00 C ATOM 1375 C GLY A 104 1.194 9.986 -0.061 1.00 0.00 C ATOM 1376 O GLY A 104 1.291 10.778 -0.996 1.00 0.00 O ATOM 0 H GLY A 104 -0.882 11.014 -0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.054 10.076 1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.407 8.726 0.631 1.00 0.00 H new ATOM 1380 N PRO A 105 2.225 9.268 0.391 1.00 0.00 N ATOM 1381 CA PRO A 105 3.564 9.330 -0.155 1.00 0.00 C ATOM 1382 C PRO A 105 3.593 8.645 -1.514 1.00 0.00 C ATOM 1383 O PRO A 105 2.689 7.882 -1.846 1.00 0.00 O ATOM 1384 CB PRO A 105 4.433 8.581 0.854 1.00 0.00 C ATOM 1385 CG PRO A 105 3.463 7.556 1.440 1.00 0.00 C ATOM 1386 CD PRO A 105 2.147 8.329 1.489 1.00 0.00 C ATOM 0 HA PRO A 105 3.914 10.351 -0.305 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.287 8.102 0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.829 9.247 1.620 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.387 6.667 0.814 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.775 7.224 2.430 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.292 7.661 1.378 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.027 8.845 2.442 1.00 0.00 H new ATOM 1394 N GLU A 106 4.634 8.922 -2.302 1.00 0.00 N ATOM 1395 CA GLU A 106 4.771 8.332 -3.619 1.00 0.00 C ATOM 1396 C GLU A 106 4.316 6.880 -3.587 1.00 0.00 C ATOM 1397 O GLU A 106 4.779 6.099 -2.758 1.00 0.00 O ATOM 1398 CB GLU A 106 6.225 8.433 -4.071 1.00 0.00 C ATOM 1399 CG GLU A 106 7.147 8.176 -2.883 1.00 0.00 C ATOM 1400 CD GLU A 106 8.254 7.200 -3.255 1.00 0.00 C ATOM 1401 OE1 GLU A 106 9.142 7.618 -4.028 1.00 0.00 O ATOM 1402 OE2 GLU A 106 8.190 6.054 -2.759 1.00 0.00 O ATOM 0 H GLU A 106 5.392 9.554 -2.043 1.00 0.00 H new ATOM 0 HA GLU A 106 4.144 8.871 -4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.422 7.709 -4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.419 9.421 -4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.584 9.116 -2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.570 7.776 -2.049 1.00 0.00 H new ATOM 1409 N GLY A 107 3.407 6.517 -4.494 1.00 0.00 N ATOM 1410 CA GLY A 107 2.898 5.161 -4.562 1.00 0.00 C ATOM 1411 C GLY A 107 4.038 4.163 -4.421 1.00 0.00 C ATOM 1412 O GLY A 107 5.144 4.406 -4.899 1.00 0.00 O ATOM 0 H GLY A 107 3.012 7.150 -5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.165 5.000 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.384 5.005 -5.510 1.00 0.00 H new ATOM 1416 N VAL A 108 3.766 3.035 -3.760 1.00 0.00 N ATOM 1417 CA VAL A 108 4.766 2.006 -3.558 1.00 0.00 C ATOM 1418 C VAL A 108 4.291 0.698 -4.175 1.00 0.00 C ATOM 1419 O VAL A 108 3.349 0.083 -3.682 1.00 0.00 O ATOM 1420 CB VAL A 108 5.026 1.837 -2.064 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.563 0.434 -1.796 1.00 0.00 C ATOM 1422 CG2 VAL A 108 6.051 2.870 -1.606 1.00 0.00 C ATOM 0 H VAL A 108 2.854 2.819 -3.357 1.00 0.00 H new ATOM 0 HA VAL A 108 5.697 2.297 -4.044 1.00 0.00 H new ATOM 0 HB VAL A 108 4.095 1.980 -1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.749 0.313 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.831 -0.304 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.494 0.290 -2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 108 6.237 2.750 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.982 2.727 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.668 3.872 -1.797 1.00 0.00 H new ATOM 1432 N ALA A 109 4.948 0.274 -5.257 1.00 0.00 N ATOM 1433 CA ALA A 109 4.591 -0.956 -5.935 1.00 0.00 C ATOM 1434 C ALA A 109 5.388 -2.115 -5.355 1.00 0.00 C ATOM 1435 O ALA A 109 6.557 -1.956 -5.011 1.00 0.00 O ATOM 1436 CB ALA A 109 4.861 -0.809 -7.430 1.00 0.00 C ATOM 0 H ALA A 109 5.732 0.773 -5.677 1.00 0.00 H new ATOM 0 HA ALA A 109 3.531 -1.161 -5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.593 -1.734 -7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.265 0.012 -7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.919 -0.600 -7.590 1.00 0.00 H new ATOM 1442 N ILE A 110 4.752 -3.284 -5.246 1.00 0.00 N ATOM 1443 CA ILE A 110 5.402 -4.463 -4.710 1.00 0.00 C ATOM 1444 C ILE A 110 5.671 -5.457 -5.831 1.00 0.00 C ATOM 1445 O ILE A 110 5.165 -5.297 -6.940 1.00 0.00 O ATOM 1446 CB ILE A 110 4.517 -5.087 -3.634 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.708 -3.993 -2.944 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.392 -5.798 -2.606 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.112 -4.540 -1.650 1.00 0.00 C ATOM 0 H ILE A 110 3.782 -3.431 -5.526 1.00 0.00 H new ATOM 0 HA ILE A 110 6.355 -4.185 -4.261 1.00 0.00 H new ATOM 0 HB ILE A 110 3.838 -5.806 -4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.345 -3.135 -2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.914 -3.643 -3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.761 -6.244 -1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.971 -6.579 -3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.071 -5.079 -2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.534 -3.759 -1.157 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.461 -5.384 -1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.915 -4.869 -0.990 1.00 0.00 H new ATOM 1461 N SER A 111 6.471 -6.486 -5.541 1.00 0.00 N ATOM 1462 CA SER A 111 6.801 -7.498 -6.524 1.00 0.00 C ATOM 1463 C SER A 111 7.067 -8.826 -5.829 1.00 0.00 C ATOM 1464 O SER A 111 7.964 -8.924 -4.996 1.00 0.00 O ATOM 1465 CB SER A 111 8.022 -7.051 -7.323 1.00 0.00 C ATOM 1466 OG SER A 111 7.826 -7.350 -8.687 1.00 0.00 O ATOM 0 H SER A 111 6.899 -6.633 -4.627 1.00 0.00 H new ATOM 0 HA SER A 111 5.964 -7.631 -7.209 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.183 -5.981 -7.194 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.916 -7.554 -6.954 1.00 0.00 H new ATOM 0 HG SER A 111 8.609 -7.062 -9.201 1.00 0.00 H new ATOM 1472 N PHE A 112 6.283 -9.850 -6.176 1.00 0.00 N ATOM 1473 CA PHE A 112 6.440 -11.164 -5.585 1.00 0.00 C ATOM 1474 C PHE A 112 7.259 -12.052 -6.511 1.00 0.00 C ATOM 1475 O PHE A 112 6.884 -12.267 -7.661 1.00 0.00 O ATOM 1476 CB PHE A 112 5.064 -11.772 -5.329 1.00 0.00 C ATOM 1477 CG PHE A 112 4.168 -10.901 -4.482 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.522 -9.798 -5.053 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.985 -11.194 -3.126 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.693 -8.988 -4.268 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.155 -10.385 -2.340 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.509 -9.282 -2.911 1.00 0.00 C ATOM 0 H PHE A 112 5.534 -9.785 -6.865 1.00 0.00 H new ATOM 0 HA PHE A 112 6.968 -11.080 -4.635 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.576 -11.961 -6.285 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.188 -12.737 -4.838 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.663 -9.572 -6.100 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.484 -12.044 -2.685 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.195 -8.137 -4.709 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.013 -10.612 -1.294 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.869 -8.658 -2.305 1.00 0.00 H new ATOM 1492 N ASN A 113 8.382 -12.569 -6.006 1.00 0.00 N ATOM 1493 CA ASN A 113 9.245 -13.430 -6.789 1.00 0.00 C ATOM 1494 C ASN A 113 9.749 -12.682 -8.016 1.00 0.00 C ATOM 1495 O ASN A 113 10.951 -12.481 -8.173 1.00 0.00 O ATOM 1496 CB ASN A 113 8.476 -14.682 -7.199 1.00 0.00 C ATOM 1497 CG ASN A 113 8.028 -15.469 -5.975 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.765 -16.316 -5.476 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.816 -15.185 -5.491 1.00 0.00 N ATOM 0 H ASN A 113 8.708 -12.400 -5.054 1.00 0.00 H new ATOM 0 HA ASN A 113 10.106 -13.727 -6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.607 -14.401 -7.794 1.00 0.00 H new ATOM 0 HB3 ASN A 113 9.105 -15.310 -7.830 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.465 -15.680 -4.671 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.241 -14.473 -5.941 1.00 0.00 H new TER 1506 ASN A 113