USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 722 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 5 SER OG : rot -39:sc= 1.01 USER MOD Set 1.2: A 66 LYS NZ :NH3+ -148:sc= 1.17 (180deg=-1.25!) USER MOD Single : A 1 GLY N :NH3+ 146:sc= 0.0274 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -158:sc= 1.35 (180deg=1.11) USER MOD Single : A 19 MET CE :methyl 173:sc= 0 (180deg=-0.0548) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-0.58) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.534 K(o=-0.53,f=-1.6) USER MOD Single : A 43 LYS NZ :NH3+ 163:sc= 0.492 (180deg=0.347) USER MOD Single : A 44 TYR OH : rot 90:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 52 HIS : no HD1:sc= -0.0759 X(o=-0.076,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.105) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.031 USER MOD Single : A 76 ASN : amide:sc= 0.095 K(o=0.095,f=-2.5!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.355 X(o=-0.35,f=-0.019) USER MOD Single : A 90 ASN : amide:sc= 0.926 K(o=0.93,f=-0.0087) USER MOD Single : A 91 SER OG : rot 121:sc= 0.381 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.650 0.132 -25.145 1.00 0.00 N ATOM 2 CA GLY A 1 -7.061 -0.198 -23.781 1.00 0.00 C ATOM 3 C GLY A 1 -7.191 1.080 -22.982 1.00 0.00 C ATOM 4 O GLY A 1 -6.330 1.958 -23.077 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.031 -0.619 -25.512 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.491 0.215 -25.751 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.135 1.035 -25.143 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.011 -0.732 -23.793 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.329 -0.859 -23.317 1.00 0.00 H new ATOM 8 N SER A 2 -8.276 1.199 -22.223 1.00 0.00 N ATOM 9 CA SER A 2 -8.431 2.209 -21.193 1.00 0.00 C ATOM 10 C SER A 2 -7.579 1.813 -19.973 1.00 0.00 C ATOM 11 O SER A 2 -6.666 0.988 -20.065 1.00 0.00 O ATOM 12 CB SER A 2 -9.932 2.378 -20.892 1.00 0.00 C ATOM 13 OG SER A 2 -10.520 1.192 -20.387 1.00 0.00 O ATOM 0 H SER A 2 -9.084 0.583 -22.312 1.00 0.00 H new ATOM 0 HA SER A 2 -8.067 3.185 -21.514 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.066 3.183 -20.169 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.451 2.678 -21.803 1.00 0.00 H new ATOM 0 HG SER A 2 -11.471 1.348 -20.210 1.00 0.00 H new ATOM 19 N SER A 3 -7.878 2.400 -18.822 1.00 0.00 N ATOM 20 CA SER A 3 -7.323 2.059 -17.528 1.00 0.00 C ATOM 21 C SER A 3 -8.438 2.192 -16.493 1.00 0.00 C ATOM 22 O SER A 3 -9.438 2.884 -16.743 1.00 0.00 O ATOM 23 CB SER A 3 -6.136 2.982 -17.231 1.00 0.00 C ATOM 24 OG SER A 3 -6.441 4.346 -17.488 1.00 0.00 O ATOM 0 H SER A 3 -8.549 3.166 -18.768 1.00 0.00 H new ATOM 0 HA SER A 3 -6.948 1.036 -17.504 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.841 2.867 -16.188 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.283 2.681 -17.839 1.00 0.00 H new ATOM 0 HG SER A 3 -5.659 4.900 -17.284 1.00 0.00 H new ATOM 30 N GLY A 4 -8.284 1.554 -15.336 1.00 0.00 N ATOM 31 CA GLY A 4 -9.183 1.656 -14.195 1.00 0.00 C ATOM 32 C GLY A 4 -8.358 1.627 -12.918 1.00 0.00 C ATOM 33 O GLY A 4 -7.368 0.900 -12.856 1.00 0.00 O ATOM 0 H GLY A 4 -7.498 0.928 -15.163 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.760 2.579 -14.251 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.897 0.832 -14.202 1.00 0.00 H new ATOM 37 N SER A 5 -8.772 2.390 -11.903 1.00 0.00 N ATOM 38 CA SER A 5 -8.099 2.451 -10.606 1.00 0.00 C ATOM 39 C SER A 5 -8.315 1.161 -9.798 1.00 0.00 C ATOM 40 O SER A 5 -7.782 1.038 -8.690 1.00 0.00 O ATOM 41 CB SER A 5 -8.611 3.692 -9.853 1.00 0.00 C ATOM 42 OG SER A 5 -7.743 4.130 -8.822 1.00 0.00 O ATOM 0 H SER A 5 -9.595 2.990 -11.961 1.00 0.00 H new ATOM 0 HA SER A 5 -7.022 2.537 -10.754 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.754 4.505 -10.565 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.588 3.468 -9.423 1.00 0.00 H new ATOM 0 HG SER A 5 -7.363 3.353 -8.362 1.00 0.00 H new ATOM 48 N SER A 6 -9.121 0.217 -10.293 1.00 0.00 N ATOM 49 CA SER A 6 -9.353 -1.057 -9.648 1.00 0.00 C ATOM 50 C SER A 6 -9.772 -2.086 -10.705 1.00 0.00 C ATOM 51 O SER A 6 -9.573 -1.865 -11.906 1.00 0.00 O ATOM 52 CB SER A 6 -10.366 -0.861 -8.500 1.00 0.00 C ATOM 53 OG SER A 6 -10.231 -1.834 -7.475 1.00 0.00 O ATOM 0 H SER A 6 -9.634 0.329 -11.168 1.00 0.00 H new ATOM 0 HA SER A 6 -8.448 -1.453 -9.187 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.234 0.132 -8.071 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.378 -0.903 -8.903 1.00 0.00 H new ATOM 0 HG SER A 6 -10.893 -1.664 -6.773 1.00 0.00 H new ATOM 59 N GLY A 7 -10.323 -3.218 -10.260 1.00 0.00 N ATOM 60 CA GLY A 7 -10.858 -4.238 -11.148 1.00 0.00 C ATOM 61 C GLY A 7 -9.766 -5.142 -11.712 1.00 0.00 C ATOM 62 O GLY A 7 -9.857 -5.508 -12.884 1.00 0.00 O ATOM 0 H GLY A 7 -10.408 -3.448 -9.270 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.585 -4.844 -10.607 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.391 -3.759 -11.969 1.00 0.00 H new ATOM 66 N GLU A 8 -8.777 -5.478 -10.878 1.00 0.00 N ATOM 67 CA GLU A 8 -7.616 -6.359 -11.033 1.00 0.00 C ATOM 68 C GLU A 8 -6.357 -5.482 -11.083 1.00 0.00 C ATOM 69 O GLU A 8 -6.378 -4.379 -11.641 1.00 0.00 O ATOM 70 CB GLU A 8 -7.723 -7.349 -12.214 1.00 0.00 C ATOM 71 CG GLU A 8 -6.749 -8.525 -12.049 1.00 0.00 C ATOM 72 CD GLU A 8 -6.947 -9.617 -13.109 1.00 0.00 C ATOM 73 OE1 GLU A 8 -7.775 -10.535 -12.901 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.202 -9.616 -14.115 1.00 0.00 O ATOM 0 H GLU A 8 -8.775 -5.077 -9.940 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.564 -7.023 -10.170 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.743 -7.726 -12.283 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.512 -6.828 -13.148 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.726 -8.153 -12.104 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.877 -8.960 -11.058 1.00 0.00 H new ATOM 81 N TYR A 9 -5.272 -5.943 -10.457 1.00 0.00 N ATOM 82 CA TYR A 9 -4.033 -5.183 -10.317 1.00 0.00 C ATOM 83 C TYR A 9 -3.060 -5.516 -11.438 1.00 0.00 C ATOM 84 O TYR A 9 -3.107 -6.618 -11.990 1.00 0.00 O ATOM 85 CB TYR A 9 -3.373 -5.501 -8.973 1.00 0.00 C ATOM 86 CG TYR A 9 -4.228 -5.176 -7.767 1.00 0.00 C ATOM 87 CD1 TYR A 9 -4.273 -3.859 -7.275 1.00 0.00 C ATOM 88 CD2 TYR A 9 -4.962 -6.191 -7.124 1.00 0.00 C ATOM 89 CE1 TYR A 9 -5.050 -3.563 -6.142 1.00 0.00 C ATOM 90 CE2 TYR A 9 -5.702 -5.907 -5.966 1.00 0.00 C ATOM 91 CZ TYR A 9 -5.766 -4.584 -5.483 1.00 0.00 C ATOM 92 OH TYR A 9 -6.559 -4.294 -4.421 1.00 0.00 O ATOM 0 H TYR A 9 -5.231 -6.868 -10.028 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.282 -4.123 -10.368 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.118 -6.561 -8.948 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.437 -4.946 -8.901 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.712 -3.078 -7.766 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.955 -7.194 -7.524 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.099 -2.549 -5.774 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.221 -6.699 -5.447 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.977 -5.116 -4.091 1.00 0.00 H new ATOM 102 N LYS A 10 -2.119 -4.609 -11.706 1.00 0.00 N ATOM 103 CA LYS A 10 -1.000 -4.825 -12.623 1.00 0.00 C ATOM 104 C LYS A 10 0.257 -4.145 -12.090 1.00 0.00 C ATOM 105 O LYS A 10 0.171 -3.330 -11.170 1.00 0.00 O ATOM 106 CB LYS A 10 -1.362 -4.331 -14.033 1.00 0.00 C ATOM 107 CG LYS A 10 -1.937 -2.901 -14.072 1.00 0.00 C ATOM 108 CD LYS A 10 -1.652 -2.232 -15.420 1.00 0.00 C ATOM 109 CE LYS A 10 -0.226 -1.670 -15.405 1.00 0.00 C ATOM 110 NZ LYS A 10 0.346 -1.533 -16.754 1.00 0.00 N ATOM 0 H LYS A 10 -2.114 -3.682 -11.281 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.794 -5.893 -12.692 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.471 -4.370 -14.660 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.089 -5.015 -14.470 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.013 -2.933 -13.898 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.501 -2.308 -13.268 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.764 -2.953 -16.230 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.370 -1.433 -15.603 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.229 -0.696 -14.916 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.411 -2.324 -14.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.310 -1.149 -16.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.377 -2.465 -17.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.244 -0.888 -17.317 1.00 0.00 H new ATOM 124 N ALA A 11 1.413 -4.462 -12.679 1.00 0.00 N ATOM 125 CA ALA A 11 2.699 -3.877 -12.321 1.00 0.00 C ATOM 126 C ALA A 11 2.607 -2.350 -12.288 1.00 0.00 C ATOM 127 O ALA A 11 2.100 -1.731 -13.229 1.00 0.00 O ATOM 128 CB ALA A 11 3.762 -4.305 -13.334 1.00 0.00 C ATOM 0 H ALA A 11 1.478 -5.146 -13.432 1.00 0.00 H new ATOM 0 HA ALA A 11 2.976 -4.232 -11.328 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.722 -3.865 -13.062 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.848 -5.392 -13.334 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.475 -3.964 -14.329 1.00 0.00 H new ATOM 134 N GLY A 12 3.126 -1.752 -11.217 1.00 0.00 N ATOM 135 CA GLY A 12 3.157 -0.307 -11.031 1.00 0.00 C ATOM 136 C GLY A 12 1.933 0.233 -10.289 1.00 0.00 C ATOM 137 O GLY A 12 1.955 1.397 -9.877 1.00 0.00 O ATOM 0 H GLY A 12 3.543 -2.269 -10.443 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.057 -0.038 -10.478 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.225 0.177 -12.005 1.00 0.00 H new ATOM 141 N ASP A 13 0.892 -0.578 -10.062 1.00 0.00 N ATOM 142 CA ASP A 13 -0.146 -0.221 -9.097 1.00 0.00 C ATOM 143 C ASP A 13 0.494 -0.184 -7.710 1.00 0.00 C ATOM 144 O ASP A 13 1.377 -0.986 -7.375 1.00 0.00 O ATOM 145 CB ASP A 13 -1.332 -1.209 -9.091 1.00 0.00 C ATOM 146 CG ASP A 13 -2.404 -0.962 -10.153 1.00 0.00 C ATOM 147 OD1 ASP A 13 -2.463 0.151 -10.727 1.00 0.00 O ATOM 148 OD2 ASP A 13 -3.248 -1.863 -10.359 1.00 0.00 O ATOM 0 H ASP A 13 0.750 -1.474 -10.529 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.553 0.750 -9.381 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.941 -2.218 -9.223 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.804 -1.176 -8.109 1.00 0.00 H new ATOM 153 N LEU A 14 0.026 0.751 -6.887 1.00 0.00 N ATOM 154 CA LEU A 14 0.370 0.842 -5.477 1.00 0.00 C ATOM 155 C LEU A 14 -0.806 0.256 -4.710 1.00 0.00 C ATOM 156 O LEU A 14 -1.960 0.444 -5.118 1.00 0.00 O ATOM 157 CB LEU A 14 0.666 2.309 -5.099 1.00 0.00 C ATOM 158 CG LEU A 14 1.804 2.937 -5.931 1.00 0.00 C ATOM 159 CD1 LEU A 14 2.075 4.364 -5.445 1.00 0.00 C ATOM 160 CD2 LEU A 14 3.090 2.105 -5.866 1.00 0.00 C ATOM 0 H LEU A 14 -0.617 1.481 -7.192 1.00 0.00 H new ATOM 0 HA LEU A 14 1.275 0.286 -5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.240 2.901 -5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.928 2.359 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 14 1.482 2.958 -6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.879 4.803 -6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.172 4.964 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.367 4.342 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.864 2.584 -6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.425 2.033 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.897 1.105 -6.255 1.00 0.00 H new ATOM 172 N VAL A 15 -0.540 -0.440 -3.602 1.00 0.00 N ATOM 173 CA VAL A 15 -1.549 -1.140 -2.812 1.00 0.00 C ATOM 174 C VAL A 15 -1.261 -1.024 -1.311 1.00 0.00 C ATOM 175 O VAL A 15 -0.225 -0.512 -0.888 1.00 0.00 O ATOM 176 CB VAL A 15 -1.677 -2.603 -3.301 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.157 -2.611 -4.754 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.393 -3.439 -3.210 1.00 0.00 C ATOM 0 H VAL A 15 0.403 -0.533 -3.224 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.519 -0.665 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.392 -3.070 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.248 -3.640 -5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.127 -2.119 -4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.438 -2.080 -5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.588 -4.447 -3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.386 -2.977 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.063 -3.488 -2.172 1.00 0.00 H new ATOM 188 N PHE A 16 -2.177 -1.516 -0.483 1.00 0.00 N ATOM 189 CA PHE A 16 -1.844 -1.979 0.852 1.00 0.00 C ATOM 190 C PHE A 16 -2.095 -3.478 0.878 1.00 0.00 C ATOM 191 O PHE A 16 -3.106 -3.958 0.355 1.00 0.00 O ATOM 192 CB PHE A 16 -2.671 -1.266 1.924 1.00 0.00 C ATOM 193 CG PHE A 16 -2.480 0.236 1.963 1.00 0.00 C ATOM 194 CD1 PHE A 16 -1.447 0.809 2.728 1.00 0.00 C ATOM 195 CD2 PHE A 16 -3.329 1.062 1.211 1.00 0.00 C ATOM 196 CE1 PHE A 16 -1.281 2.205 2.765 1.00 0.00 C ATOM 197 CE2 PHE A 16 -3.173 2.456 1.256 1.00 0.00 C ATOM 198 CZ PHE A 16 -2.160 3.030 2.044 1.00 0.00 C ATOM 0 H PHE A 16 -3.165 -1.603 -0.720 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.801 -1.755 1.077 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.726 -1.482 1.756 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.413 -1.679 2.899 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.778 0.173 3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.103 0.625 0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.481 2.641 3.345 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.834 3.090 0.683 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.058 4.104 2.095 1.00 0.00 H new ATOM 208 N ALA A 17 -1.179 -4.201 1.505 1.00 0.00 N ATOM 209 CA ALA A 17 -1.344 -5.578 1.919 1.00 0.00 C ATOM 210 C ALA A 17 -1.852 -5.578 3.358 1.00 0.00 C ATOM 211 O ALA A 17 -1.941 -4.525 3.991 1.00 0.00 O ATOM 212 CB ALA A 17 -0.002 -6.295 1.790 1.00 0.00 C ATOM 0 H ALA A 17 -0.263 -3.824 1.747 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.065 -6.104 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.114 -7.334 2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.332 -6.259 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.735 -5.804 2.426 1.00 0.00 H new ATOM 218 N LYS A 18 -2.226 -6.738 3.892 1.00 0.00 N ATOM 219 CA LYS A 18 -2.551 -6.901 5.298 1.00 0.00 C ATOM 220 C LYS A 18 -2.012 -8.252 5.729 1.00 0.00 C ATOM 221 O LYS A 18 -2.600 -9.279 5.386 1.00 0.00 O ATOM 222 CB LYS A 18 -4.076 -6.788 5.471 1.00 0.00 C ATOM 223 CG LYS A 18 -4.550 -7.021 6.911 1.00 0.00 C ATOM 224 CD LYS A 18 -3.879 -6.061 7.902 1.00 0.00 C ATOM 225 CE LYS A 18 -4.501 -6.204 9.286 1.00 0.00 C ATOM 226 NZ LYS A 18 -3.998 -7.405 9.977 1.00 0.00 N ATOM 0 H LYS A 18 -2.311 -7.598 3.351 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.101 -6.130 5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.398 -5.798 5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.562 -7.511 4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.632 -6.895 6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.335 -8.049 7.201 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.810 -6.270 7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.986 -5.034 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.277 -5.319 9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.586 -6.261 9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.673 -7.689 10.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.889 -8.180 9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.077 -7.195 10.412 1.00 0.00 H new ATOM 240 N MET A 19 -0.919 -8.259 6.497 1.00 0.00 N ATOM 241 CA MET A 19 -0.403 -9.500 7.059 1.00 0.00 C ATOM 242 C MET A 19 -1.236 -9.931 8.273 1.00 0.00 C ATOM 243 O MET A 19 -2.130 -9.220 8.747 1.00 0.00 O ATOM 244 CB MET A 19 1.109 -9.414 7.361 1.00 0.00 C ATOM 245 CG MET A 19 1.908 -10.372 6.472 1.00 0.00 C ATOM 246 SD MET A 19 3.413 -11.005 7.260 1.00 0.00 S ATOM 247 CE MET A 19 4.479 -9.559 7.077 1.00 0.00 C ATOM 0 H MET A 19 -0.382 -7.426 6.739 1.00 0.00 H new ATOM 0 HA MET A 19 -0.505 -10.283 6.308 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.456 -8.393 7.203 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.287 -9.653 8.409 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.272 -11.212 6.194 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.179 -9.858 5.550 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.411 -9.723 7.618 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.696 -9.398 6.021 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.975 -8.682 7.482 1.00 0.00 H new ATOM 257 N LYS A 20 -0.939 -11.132 8.769 1.00 0.00 N ATOM 258 CA LYS A 20 -1.736 -11.912 9.712 1.00 0.00 C ATOM 259 C LYS A 20 -1.551 -11.461 11.170 1.00 0.00 C ATOM 260 O LYS A 20 -1.384 -12.278 12.077 1.00 0.00 O ATOM 261 CB LYS A 20 -1.390 -13.390 9.437 1.00 0.00 C ATOM 262 CG LYS A 20 -2.327 -14.417 10.092 1.00 0.00 C ATOM 263 CD LYS A 20 -2.850 -15.444 9.075 1.00 0.00 C ATOM 264 CE LYS A 20 -3.440 -16.653 9.798 1.00 0.00 C ATOM 265 NZ LYS A 20 -3.895 -17.711 8.872 1.00 0.00 N ATOM 0 H LYS A 20 -0.081 -11.616 8.505 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.804 -11.755 9.563 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.396 -13.553 8.359 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.373 -13.578 9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.797 -14.935 10.891 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.169 -13.899 10.551 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.609 -14.985 8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.039 -15.763 8.420 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.692 -17.066 10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.280 -16.329 10.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.286 -18.506 9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.630 -17.329 8.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.091 -18.044 8.303 1.00 0.00 H new ATOM 279 N GLY A 21 -1.558 -10.151 11.399 1.00 0.00 N ATOM 280 CA GLY A 21 -1.303 -9.515 12.684 1.00 0.00 C ATOM 281 C GLY A 21 -0.719 -8.126 12.464 1.00 0.00 C ATOM 282 O GLY A 21 -1.179 -7.165 13.081 1.00 0.00 O ATOM 0 H GLY A 21 -1.750 -9.475 10.660 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.229 -9.444 13.255 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.612 -10.122 13.270 1.00 0.00 H new ATOM 286 N TYR A 22 0.224 -7.999 11.523 1.00 0.00 N ATOM 287 CA TYR A 22 0.716 -6.689 11.080 1.00 0.00 C ATOM 288 C TYR A 22 -0.448 -5.817 10.594 1.00 0.00 C ATOM 289 O TYR A 22 -1.478 -6.354 10.179 1.00 0.00 O ATOM 290 CB TYR A 22 1.766 -6.848 9.967 1.00 0.00 C ATOM 291 CG TYR A 22 3.173 -7.107 10.467 1.00 0.00 C ATOM 292 CD1 TYR A 22 3.990 -6.040 10.879 1.00 0.00 C ATOM 293 CD2 TYR A 22 3.686 -8.411 10.501 1.00 0.00 C ATOM 294 CE1 TYR A 22 5.284 -6.274 11.373 1.00 0.00 C ATOM 295 CE2 TYR A 22 4.980 -8.657 10.982 1.00 0.00 C ATOM 296 CZ TYR A 22 5.787 -7.589 11.439 1.00 0.00 C ATOM 297 OH TYR A 22 7.000 -7.814 12.015 1.00 0.00 O ATOM 0 H TYR A 22 0.663 -8.790 11.052 1.00 0.00 H new ATOM 0 HA TYR A 22 1.190 -6.197 11.930 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.467 -7.670 9.317 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.771 -5.945 9.357 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.618 -5.028 10.815 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.079 -9.234 10.154 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.894 -5.446 11.702 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.362 -9.667 11.004 1.00 0.00 H new ATOM 0 HH TYR A 22 7.205 -8.772 11.983 1.00 0.00 H new ATOM 307 N PRO A 23 -0.282 -4.485 10.632 1.00 0.00 N ATOM 308 CA PRO A 23 -1.230 -3.529 10.089 1.00 0.00 C ATOM 309 C PRO A 23 -1.251 -3.627 8.551 1.00 0.00 C ATOM 310 O PRO A 23 -0.599 -4.489 7.952 1.00 0.00 O ATOM 311 CB PRO A 23 -0.768 -2.172 10.647 1.00 0.00 C ATOM 312 CG PRO A 23 0.731 -2.336 10.852 1.00 0.00 C ATOM 313 CD PRO A 23 0.913 -3.813 11.108 1.00 0.00 C ATOM 0 HA PRO A 23 -2.266 -3.706 10.377 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.987 -1.361 9.952 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.273 -1.935 11.583 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.290 -2.013 9.974 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.085 -1.740 11.693 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.796 -4.187 10.590 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.063 -4.003 12.171 1.00 0.00 H new ATOM 321 N HIS A 24 -2.050 -2.782 7.903 1.00 0.00 N ATOM 322 CA HIS A 24 -2.238 -2.793 6.460 1.00 0.00 C ATOM 323 C HIS A 24 -0.994 -2.199 5.777 1.00 0.00 C ATOM 324 O HIS A 24 -0.968 -1.015 5.450 1.00 0.00 O ATOM 325 CB HIS A 24 -3.534 -2.048 6.095 1.00 0.00 C ATOM 326 CG HIS A 24 -4.785 -2.640 6.701 1.00 0.00 C ATOM 327 ND1 HIS A 24 -5.226 -2.450 7.991 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.685 -3.467 6.081 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.362 -3.140 8.144 1.00 0.00 C ATOM 330 NE2 HIS A 24 -6.676 -3.806 7.016 1.00 0.00 N ATOM 0 H HIS A 24 -2.592 -2.060 8.377 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.349 -3.815 6.098 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.445 -1.010 6.416 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.640 -2.038 5.010 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.640 -3.799 5.054 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.949 -3.160 9.051 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.471 -4.429 6.871 1.00 0.00 H new ATOM 338 N TRP A 25 0.085 -2.972 5.636 1.00 0.00 N ATOM 339 CA TRP A 25 1.389 -2.474 5.199 1.00 0.00 C ATOM 340 C TRP A 25 1.322 -1.916 3.766 1.00 0.00 C ATOM 341 O TRP A 25 0.719 -2.557 2.902 1.00 0.00 O ATOM 342 CB TRP A 25 2.448 -3.579 5.341 1.00 0.00 C ATOM 343 CG TRP A 25 3.853 -3.091 5.570 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.712 -2.619 4.639 1.00 0.00 C ATOM 345 CD2 TRP A 25 4.567 -2.976 6.834 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.896 -2.228 5.234 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.853 -2.394 6.602 1.00 0.00 C ATOM 348 CE3 TRP A 25 4.220 -3.281 8.164 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.740 -2.097 7.654 1.00 0.00 C ATOM 350 CZ3 TRP A 25 5.109 -3.015 9.216 1.00 0.00 C ATOM 351 CH2 TRP A 25 6.355 -2.426 8.965 1.00 0.00 C ATOM 0 H TRP A 25 0.076 -3.974 5.825 1.00 0.00 H new ATOM 0 HA TRP A 25 1.682 -1.644 5.842 1.00 0.00 H new ATOM 0 HB2 TRP A 25 2.165 -4.227 6.171 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.435 -4.191 4.439 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.503 -2.556 3.581 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.701 -1.862 4.725 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.259 -3.725 8.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.693 -1.628 7.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.830 -3.267 10.229 1.00 0.00 H new ATOM 0 HH2 TRP A 25 7.026 -2.223 9.787 1.00 0.00 H new ATOM 362 N PRO A 26 1.902 -0.734 3.487 1.00 0.00 N ATOM 363 CA PRO A 26 1.963 -0.189 2.137 1.00 0.00 C ATOM 364 C PRO A 26 2.884 -1.041 1.271 1.00 0.00 C ATOM 365 O PRO A 26 4.002 -1.372 1.666 1.00 0.00 O ATOM 366 CB PRO A 26 2.502 1.226 2.286 1.00 0.00 C ATOM 367 CG PRO A 26 3.294 1.197 3.582 1.00 0.00 C ATOM 368 CD PRO A 26 2.560 0.162 4.428 1.00 0.00 C ATOM 0 HA PRO A 26 0.987 -0.186 1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.133 1.501 1.441 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.694 1.956 2.331 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.332 0.912 3.411 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.307 2.174 4.066 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.255 -0.384 5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.833 0.640 5.085 1.00 0.00 H new ATOM 376 N ALA A 27 2.413 -1.408 0.088 1.00 0.00 N ATOM 377 CA ALA A 27 3.076 -2.392 -0.736 1.00 0.00 C ATOM 378 C ALA A 27 2.834 -2.083 -2.204 1.00 0.00 C ATOM 379 O ALA A 27 2.014 -1.228 -2.548 1.00 0.00 O ATOM 380 CB ALA A 27 2.546 -3.764 -0.336 1.00 0.00 C ATOM 0 H ALA A 27 1.560 -1.028 -0.322 1.00 0.00 H new ATOM 0 HA ALA A 27 4.156 -2.375 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.028 -4.531 -0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.761 -3.944 0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.469 -3.799 -0.497 1.00 0.00 H new ATOM 386 N ARG A 28 3.560 -2.751 -3.093 1.00 0.00 N ATOM 387 CA ARG A 28 3.469 -2.483 -4.523 1.00 0.00 C ATOM 388 C ARG A 28 3.384 -3.773 -5.309 1.00 0.00 C ATOM 389 O ARG A 28 3.781 -4.830 -4.809 1.00 0.00 O ATOM 390 CB ARG A 28 4.653 -1.598 -4.922 1.00 0.00 C ATOM 391 CG ARG A 28 6.022 -2.292 -4.876 1.00 0.00 C ATOM 392 CD ARG A 28 7.053 -1.672 -5.820 1.00 0.00 C ATOM 393 NE ARG A 28 6.790 -2.074 -7.207 1.00 0.00 N ATOM 394 CZ ARG A 28 7.651 -1.993 -8.222 1.00 0.00 C ATOM 395 NH1 ARG A 28 8.846 -1.416 -8.079 1.00 0.00 N ATOM 396 NH2 ARG A 28 7.267 -2.516 -9.382 1.00 0.00 N ATOM 0 H ARG A 28 4.222 -3.487 -2.846 1.00 0.00 H new ATOM 0 HA ARG A 28 2.552 -1.944 -4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.485 -1.225 -5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.679 -0.731 -4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.406 -2.254 -3.856 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.896 -3.344 -5.130 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.022 -0.586 -5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.056 -1.985 -5.529 1.00 0.00 H new ATOM 0 HE ARG A 28 5.864 -2.450 -7.413 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.119 -1.024 -7.178 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.487 -1.367 -8.871 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.350 -2.954 -9.465 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.890 -2.479 -10.189 1.00 0.00 H new ATOM 410 N ILE A 29 2.897 -3.667 -6.543 1.00 0.00 N ATOM 411 CA ILE A 29 2.878 -4.779 -7.475 1.00 0.00 C ATOM 412 C ILE A 29 4.258 -4.810 -8.136 1.00 0.00 C ATOM 413 O ILE A 29 4.687 -3.826 -8.757 1.00 0.00 O ATOM 414 CB ILE A 29 1.691 -4.654 -8.462 1.00 0.00 C ATOM 415 CG1 ILE A 29 0.355 -4.287 -7.786 1.00 0.00 C ATOM 416 CG2 ILE A 29 1.504 -5.962 -9.247 1.00 0.00 C ATOM 417 CD1 ILE A 29 -0.080 -5.189 -6.635 1.00 0.00 C ATOM 0 H ILE A 29 2.505 -2.804 -6.920 1.00 0.00 H new ATOM 0 HA ILE A 29 2.706 -5.735 -6.981 1.00 0.00 H new ATOM 0 HB ILE A 29 1.953 -3.834 -9.130 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.427 -3.265 -7.414 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.428 -4.295 -8.544 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.666 -5.856 -9.936 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.411 -6.181 -9.810 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.302 -6.778 -8.552 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.031 -4.837 -6.236 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.194 -6.211 -6.997 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.674 -5.165 -5.849 1.00 0.00 H new ATOM 429 N ASP A 30 4.987 -5.901 -7.919 1.00 0.00 N ATOM 430 CA ASP A 30 6.191 -6.275 -8.658 1.00 0.00 C ATOM 431 C ASP A 30 5.768 -6.978 -9.963 1.00 0.00 C ATOM 432 O ASP A 30 4.579 -7.123 -10.251 1.00 0.00 O ATOM 433 CB ASP A 30 7.052 -7.161 -7.737 1.00 0.00 C ATOM 434 CG ASP A 30 8.361 -7.656 -8.353 1.00 0.00 C ATOM 435 OD1 ASP A 30 8.932 -6.968 -9.224 1.00 0.00 O ATOM 436 OD2 ASP A 30 8.855 -8.729 -7.941 1.00 0.00 O ATOM 0 H ASP A 30 4.746 -6.577 -7.194 1.00 0.00 H new ATOM 0 HA ASP A 30 6.792 -5.412 -8.944 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.284 -6.600 -6.832 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.461 -8.025 -7.434 1.00 0.00 H new ATOM 441 N GLU A 31 6.710 -7.415 -10.786 1.00 0.00 N ATOM 442 CA GLU A 31 6.495 -8.222 -11.977 1.00 0.00 C ATOM 443 C GLU A 31 7.429 -9.428 -11.906 1.00 0.00 C ATOM 444 O GLU A 31 8.509 -9.355 -11.313 1.00 0.00 O ATOM 445 CB GLU A 31 6.713 -7.389 -13.253 1.00 0.00 C ATOM 446 CG GLU A 31 7.920 -6.441 -13.169 1.00 0.00 C ATOM 447 CD GLU A 31 8.520 -6.057 -14.522 1.00 0.00 C ATOM 448 OE1 GLU A 31 7.795 -5.918 -15.535 1.00 0.00 O ATOM 449 OE2 GLU A 31 9.769 -5.932 -14.574 1.00 0.00 O ATOM 0 H GLU A 31 7.696 -7.205 -10.632 1.00 0.00 H new ATOM 0 HA GLU A 31 5.464 -8.572 -12.019 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.849 -8.063 -14.098 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.815 -6.804 -13.453 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.617 -5.532 -12.649 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.694 -6.912 -12.563 1.00 0.00 H new ATOM 456 N LEU A 32 7.013 -10.559 -12.475 1.00 0.00 N ATOM 457 CA LEU A 32 7.786 -11.797 -12.409 1.00 0.00 C ATOM 458 C LEU A 32 8.885 -11.756 -13.467 1.00 0.00 C ATOM 459 O LEU A 32 8.536 -11.665 -14.652 1.00 0.00 O ATOM 460 CB LEU A 32 6.896 -13.023 -12.635 1.00 0.00 C ATOM 461 CG LEU A 32 5.990 -13.296 -11.424 1.00 0.00 C ATOM 462 CD1 LEU A 32 4.687 -13.951 -11.857 1.00 0.00 C ATOM 463 CD2 LEU A 32 6.665 -14.159 -10.355 1.00 0.00 C ATOM 0 H LEU A 32 6.137 -10.642 -12.991 1.00 0.00 H new ATOM 0 HA LEU A 32 8.224 -11.880 -11.414 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.282 -12.869 -13.522 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.520 -13.896 -12.827 1.00 0.00 H new ATOM 0 HG LEU A 32 5.783 -12.323 -10.978 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.063 -14.134 -10.982 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.160 -13.292 -12.547 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.903 -14.897 -12.353 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.975 -14.317 -9.526 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.941 -15.122 -10.785 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.560 -13.654 -9.991 1.00 0.00 H new ATOM 475 N PRO A 33 10.174 -11.854 -13.095 1.00 0.00 N ATOM 476 CA PRO A 33 11.233 -12.092 -14.062 1.00 0.00 C ATOM 477 C PRO A 33 10.987 -13.427 -14.778 1.00 0.00 C ATOM 478 O PRO A 33 10.157 -14.245 -14.379 1.00 0.00 O ATOM 479 CB PRO A 33 12.544 -12.055 -13.267 1.00 0.00 C ATOM 480 CG PRO A 33 12.138 -12.381 -11.831 1.00 0.00 C ATOM 481 CD PRO A 33 10.690 -11.900 -11.735 1.00 0.00 C ATOM 0 HA PRO A 33 11.270 -11.341 -14.851 1.00 0.00 H new ATOM 0 HB2 PRO A 33 13.260 -12.782 -13.650 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.018 -11.076 -13.331 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.218 -13.449 -11.627 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.776 -11.870 -11.110 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.098 -12.576 -11.119 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.639 -10.916 -11.268 1.00 0.00 H new ATOM 489 N GLU A 34 11.707 -13.659 -15.870 1.00 0.00 N ATOM 490 CA GLU A 34 11.308 -14.651 -16.869 1.00 0.00 C ATOM 491 C GLU A 34 11.570 -16.103 -16.450 1.00 0.00 C ATOM 492 O GLU A 34 11.138 -17.054 -17.108 1.00 0.00 O ATOM 493 CB GLU A 34 11.964 -14.280 -18.204 1.00 0.00 C ATOM 494 CG GLU A 34 11.435 -12.926 -18.705 1.00 0.00 C ATOM 495 CD GLU A 34 12.260 -12.355 -19.856 1.00 0.00 C ATOM 496 OE1 GLU A 34 13.410 -11.921 -19.619 1.00 0.00 O ATOM 497 OE2 GLU A 34 11.719 -12.252 -20.982 1.00 0.00 O ATOM 0 H GLU A 34 12.576 -13.172 -16.089 1.00 0.00 H new ATOM 0 HA GLU A 34 10.224 -14.618 -16.975 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.046 -14.232 -18.083 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.759 -15.054 -18.944 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.401 -13.043 -19.029 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.432 -12.215 -17.879 1.00 0.00 H new ATOM 504 N GLY A 35 12.200 -16.255 -15.295 1.00 0.00 N ATOM 505 CA GLY A 35 12.562 -17.490 -14.620 1.00 0.00 C ATOM 506 C GLY A 35 12.230 -17.383 -13.134 1.00 0.00 C ATOM 507 O GLY A 35 13.099 -17.606 -12.294 1.00 0.00 O ATOM 0 H GLY A 35 12.498 -15.441 -14.758 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.024 -18.328 -15.063 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.626 -17.689 -14.751 1.00 0.00 H new ATOM 511 N ALA A 36 11.002 -16.985 -12.793 1.00 0.00 N ATOM 512 CA ALA A 36 10.585 -16.734 -11.419 1.00 0.00 C ATOM 513 C ALA A 36 9.869 -17.938 -10.803 1.00 0.00 C ATOM 514 O ALA A 36 9.733 -19.005 -11.411 1.00 0.00 O ATOM 515 CB ALA A 36 9.719 -15.481 -11.384 1.00 0.00 C ATOM 0 H ALA A 36 10.262 -16.827 -13.477 1.00 0.00 H new ATOM 0 HA ALA A 36 11.473 -16.572 -10.807 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.403 -15.286 -10.359 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.293 -14.632 -11.755 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.841 -15.628 -12.013 1.00 0.00 H new ATOM 521 N VAL A 37 9.444 -17.800 -9.547 1.00 0.00 N ATOM 522 CA VAL A 37 8.883 -18.889 -8.753 1.00 0.00 C ATOM 523 C VAL A 37 7.366 -18.889 -8.914 1.00 0.00 C ATOM 524 O VAL A 37 6.610 -18.520 -8.011 1.00 0.00 O ATOM 525 CB VAL A 37 9.368 -18.814 -7.296 1.00 0.00 C ATOM 526 CG1 VAL A 37 9.028 -20.122 -6.567 1.00 0.00 C ATOM 527 CG2 VAL A 37 10.885 -18.595 -7.220 1.00 0.00 C ATOM 0 H VAL A 37 9.481 -16.912 -9.046 1.00 0.00 H new ATOM 0 HA VAL A 37 9.240 -19.853 -9.115 1.00 0.00 H new ATOM 0 HB VAL A 37 8.865 -17.970 -6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.374 -20.064 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.949 -20.276 -6.580 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.520 -20.956 -7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.194 -18.547 -6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.397 -19.422 -7.712 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.143 -17.660 -7.718 1.00 0.00 H new ATOM 537 N LYS A 38 6.955 -19.351 -10.093 1.00 0.00 N ATOM 538 CA LYS A 38 5.602 -19.356 -10.637 1.00 0.00 C ATOM 539 C LYS A 38 4.507 -19.412 -9.565 1.00 0.00 C ATOM 540 O LYS A 38 4.386 -20.441 -8.883 1.00 0.00 O ATOM 541 CB LYS A 38 5.466 -20.430 -11.727 1.00 0.00 C ATOM 542 CG LYS A 38 5.932 -21.862 -11.395 1.00 0.00 C ATOM 543 CD LYS A 38 5.596 -22.780 -12.582 1.00 0.00 C ATOM 544 CE LYS A 38 6.375 -24.100 -12.618 1.00 0.00 C ATOM 545 NZ LYS A 38 6.080 -24.982 -11.471 1.00 0.00 N ATOM 0 H LYS A 38 7.618 -19.767 -10.747 1.00 0.00 H new ATOM 0 HA LYS A 38 5.437 -18.390 -11.115 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.417 -20.479 -12.018 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.023 -20.092 -12.600 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.004 -21.874 -11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.440 -22.219 -10.491 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.530 -23.005 -12.558 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.787 -22.237 -13.508 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.141 -24.627 -13.543 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.443 -23.883 -12.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.637 -25.857 -11.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.328 -24.495 -10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.067 -25.216 -11.465 1.00 0.00 H new ATOM 559 N PRO A 39 3.749 -18.324 -9.336 1.00 0.00 N ATOM 560 CA PRO A 39 2.668 -18.318 -8.362 1.00 0.00 C ATOM 561 C PRO A 39 1.519 -19.209 -8.784 1.00 0.00 C ATOM 562 O PRO A 39 1.419 -19.582 -9.958 1.00 0.00 O ATOM 563 CB PRO A 39 2.223 -16.864 -8.218 1.00 0.00 C ATOM 564 CG PRO A 39 2.655 -16.209 -9.520 1.00 0.00 C ATOM 565 CD PRO A 39 3.872 -17.014 -9.965 1.00 0.00 C ATOM 0 HA PRO A 39 3.011 -18.719 -7.408 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.145 -16.790 -8.074 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.693 -16.387 -7.358 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.861 -16.245 -10.265 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.906 -15.159 -9.372 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.902 -17.105 -11.051 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.796 -16.522 -9.661 1.00 0.00 H new ATOM 573 N PRO A 40 0.634 -19.568 -7.842 1.00 0.00 N ATOM 574 CA PRO A 40 -0.664 -20.047 -8.213 1.00 0.00 C ATOM 575 C PRO A 40 -1.473 -18.903 -8.797 1.00 0.00 C ATOM 576 O PRO A 40 -1.419 -17.772 -8.306 1.00 0.00 O ATOM 577 CB PRO A 40 -1.291 -20.644 -6.954 1.00 0.00 C ATOM 578 CG PRO A 40 -0.565 -19.952 -5.804 1.00 0.00 C ATOM 579 CD PRO A 40 0.748 -19.443 -6.400 1.00 0.00 C ATOM 0 HA PRO A 40 -0.623 -20.817 -8.984 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.364 -20.456 -6.917 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.155 -21.725 -6.917 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.159 -19.131 -5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.381 -20.644 -4.982 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.925 -18.406 -6.115 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.592 -20.024 -6.028 1.00 0.00 H new ATOM 587 N ALA A 41 -2.202 -19.210 -9.864 1.00 0.00 N ATOM 588 CA ALA A 41 -2.917 -18.228 -10.634 1.00 0.00 C ATOM 589 C ALA A 41 -4.032 -17.659 -9.773 1.00 0.00 C ATOM 590 O ALA A 41 -4.956 -18.404 -9.432 1.00 0.00 O ATOM 591 CB ALA A 41 -3.516 -18.865 -11.878 1.00 0.00 C ATOM 0 H ALA A 41 -2.307 -20.162 -10.214 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.232 -17.438 -10.942 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.054 -18.109 -12.451 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.719 -19.286 -12.491 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.205 -19.657 -11.585 1.00 0.00 H new ATOM 597 N ASN A 42 -3.904 -16.390 -9.396 1.00 0.00 N ATOM 598 CA ASN A 42 -4.672 -15.576 -8.441 1.00 0.00 C ATOM 599 C ASN A 42 -3.742 -14.826 -7.484 1.00 0.00 C ATOM 600 O ASN A 42 -4.248 -14.076 -6.654 1.00 0.00 O ATOM 601 CB ASN A 42 -5.680 -16.373 -7.578 1.00 0.00 C ATOM 602 CG ASN A 42 -6.986 -16.711 -8.277 1.00 0.00 C ATOM 603 OD1 ASN A 42 -7.433 -16.029 -9.190 1.00 0.00 O ATOM 604 ND2 ASN A 42 -7.619 -17.791 -7.859 1.00 0.00 N ATOM 0 H ASN A 42 -3.159 -15.827 -9.806 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.238 -14.892 -9.073 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.207 -17.300 -7.254 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.903 -15.798 -6.679 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.496 -18.070 -8.298 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.231 -18.347 -7.097 1.00 0.00 H new ATOM 611 N LYS A 43 -2.418 -15.024 -7.521 1.00 0.00 N ATOM 612 CA LYS A 43 -1.500 -14.337 -6.613 1.00 0.00 C ATOM 613 C LYS A 43 -0.570 -13.408 -7.379 1.00 0.00 C ATOM 614 O LYS A 43 -0.096 -13.744 -8.465 1.00 0.00 O ATOM 615 CB LYS A 43 -0.703 -15.346 -5.787 1.00 0.00 C ATOM 616 CG LYS A 43 -1.574 -16.207 -4.853 1.00 0.00 C ATOM 617 CD LYS A 43 -0.646 -16.805 -3.795 1.00 0.00 C ATOM 618 CE LYS A 43 -1.343 -17.600 -2.693 1.00 0.00 C ATOM 619 NZ LYS A 43 -0.387 -17.916 -1.610 1.00 0.00 N ATOM 0 H LYS A 43 -1.960 -15.659 -8.175 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.092 -13.729 -5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.153 -16.001 -6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.035 -14.811 -5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.351 -15.602 -4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.077 -16.995 -5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.073 -17.457 -4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.078 -15.997 -3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.179 -17.026 -2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.756 -18.521 -3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.910 -18.192 -0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.228 -18.700 -1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.194 -17.078 -1.405 1.00 0.00 H new ATOM 633 N TYR A 44 -0.249 -12.264 -6.776 1.00 0.00 N ATOM 634 CA TYR A 44 0.702 -11.301 -7.314 1.00 0.00 C ATOM 635 C TYR A 44 2.013 -11.430 -6.536 1.00 0.00 C ATOM 636 O TYR A 44 1.981 -11.755 -5.342 1.00 0.00 O ATOM 637 CB TYR A 44 0.158 -9.872 -7.162 1.00 0.00 C ATOM 638 CG TYR A 44 -1.282 -9.695 -7.597 1.00 0.00 C ATOM 639 CD1 TYR A 44 -1.609 -9.509 -8.950 1.00 0.00 C ATOM 640 CD2 TYR A 44 -2.306 -9.750 -6.639 1.00 0.00 C ATOM 641 CE1 TYR A 44 -2.946 -9.383 -9.355 1.00 0.00 C ATOM 642 CE2 TYR A 44 -3.644 -9.627 -7.034 1.00 0.00 C ATOM 643 CZ TYR A 44 -3.976 -9.463 -8.396 1.00 0.00 C ATOM 644 OH TYR A 44 -5.276 -9.416 -8.785 1.00 0.00 O ATOM 0 H TYR A 44 -0.652 -11.978 -5.884 1.00 0.00 H new ATOM 0 HA TYR A 44 0.865 -11.501 -8.373 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.248 -9.573 -6.118 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.785 -9.195 -7.743 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.822 -9.462 -9.688 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.062 -9.887 -5.596 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.185 -9.225 -10.396 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.427 -9.658 -6.291 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.597 -10.324 -8.965 1.00 0.00 H new ATOM 654 N PRO A 45 3.166 -11.136 -7.149 1.00 0.00 N ATOM 655 CA PRO A 45 4.381 -10.814 -6.421 1.00 0.00 C ATOM 656 C PRO A 45 4.206 -9.434 -5.762 1.00 0.00 C ATOM 657 O PRO A 45 4.201 -8.405 -6.440 1.00 0.00 O ATOM 658 CB PRO A 45 5.489 -10.858 -7.476 1.00 0.00 C ATOM 659 CG PRO A 45 4.774 -10.412 -8.752 1.00 0.00 C ATOM 660 CD PRO A 45 3.361 -10.969 -8.583 1.00 0.00 C ATOM 0 HA PRO A 45 4.622 -11.501 -5.610 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.313 -10.191 -7.222 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.908 -11.859 -7.578 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.768 -9.326 -8.850 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.258 -10.810 -9.644 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.620 -10.288 -9.001 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.251 -11.919 -9.105 1.00 0.00 H new ATOM 668 N ILE A 46 3.980 -9.403 -4.447 1.00 0.00 N ATOM 669 CA ILE A 46 3.927 -8.162 -3.679 1.00 0.00 C ATOM 670 C ILE A 46 5.298 -7.928 -3.040 1.00 0.00 C ATOM 671 O ILE A 46 5.933 -8.868 -2.540 1.00 0.00 O ATOM 672 CB ILE A 46 2.773 -8.218 -2.649 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.388 -8.436 -3.312 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.718 -6.992 -1.737 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.942 -7.320 -4.256 1.00 0.00 C ATOM 0 H ILE A 46 3.829 -10.241 -3.885 1.00 0.00 H new ATOM 0 HA ILE A 46 3.711 -7.311 -4.325 1.00 0.00 H new ATOM 0 HB ILE A 46 3.001 -9.086 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.411 -9.374 -3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.640 -8.549 -2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.887 -7.095 -1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.652 -6.911 -1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.576 -6.096 -2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.037 -7.563 -4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.880 -6.381 -3.706 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.664 -7.219 -5.067 1.00 0.00 H new ATOM 687 N PHE A 47 5.710 -6.657 -3.032 1.00 0.00 N ATOM 688 CA PHE A 47 6.888 -6.108 -2.369 1.00 0.00 C ATOM 689 C PHE A 47 6.400 -5.189 -1.252 1.00 0.00 C ATOM 690 O PHE A 47 5.645 -4.249 -1.523 1.00 0.00 O ATOM 691 CB PHE A 47 7.704 -5.327 -3.405 1.00 0.00 C ATOM 692 CG PHE A 47 9.015 -4.713 -2.939 1.00 0.00 C ATOM 693 CD1 PHE A 47 10.168 -5.521 -2.872 1.00 0.00 C ATOM 694 CD2 PHE A 47 9.122 -3.326 -2.682 1.00 0.00 C ATOM 695 CE1 PHE A 47 11.420 -4.947 -2.595 1.00 0.00 C ATOM 696 CE2 PHE A 47 10.375 -2.759 -2.380 1.00 0.00 C ATOM 697 CZ PHE A 47 11.526 -3.565 -2.358 1.00 0.00 C ATOM 0 H PHE A 47 5.187 -5.934 -3.527 1.00 0.00 H new ATOM 0 HA PHE A 47 7.520 -6.889 -1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.922 -5.996 -4.237 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.076 -4.526 -3.795 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.089 -6.586 -3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.242 -2.701 -2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.303 -5.568 -2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.452 -1.703 -2.165 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.491 -3.123 -2.159 1.00 0.00 H new ATOM 707 N PHE A 48 6.789 -5.481 -0.012 1.00 0.00 N ATOM 708 CA PHE A 48 6.508 -4.666 1.161 1.00 0.00 C ATOM 709 C PHE A 48 7.486 -3.499 1.138 1.00 0.00 C ATOM 710 O PHE A 48 8.699 -3.712 1.228 1.00 0.00 O ATOM 711 CB PHE A 48 6.708 -5.482 2.453 1.00 0.00 C ATOM 712 CG PHE A 48 5.724 -6.612 2.704 1.00 0.00 C ATOM 713 CD1 PHE A 48 5.720 -7.758 1.884 1.00 0.00 C ATOM 714 CD2 PHE A 48 4.791 -6.515 3.757 1.00 0.00 C ATOM 715 CE1 PHE A 48 4.763 -8.766 2.073 1.00 0.00 C ATOM 716 CE2 PHE A 48 3.832 -7.528 3.950 1.00 0.00 C ATOM 717 CZ PHE A 48 3.803 -8.642 3.089 1.00 0.00 C ATOM 0 H PHE A 48 7.326 -6.320 0.207 1.00 0.00 H new ATOM 0 HA PHE A 48 5.475 -4.320 1.142 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.713 -5.903 2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.662 -4.796 3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.460 -7.861 1.104 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.812 -5.661 4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.765 -9.638 1.436 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.119 -7.451 4.758 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.043 -9.400 3.210 1.00 0.00 H new ATOM 727 N PHE A 49 6.979 -2.276 0.998 1.00 0.00 N ATOM 728 CA PHE A 49 7.841 -1.109 0.990 1.00 0.00 C ATOM 729 C PHE A 49 8.472 -0.894 2.369 1.00 0.00 C ATOM 730 O PHE A 49 7.932 -1.336 3.391 1.00 0.00 O ATOM 731 CB PHE A 49 7.047 0.110 0.500 1.00 0.00 C ATOM 732 CG PHE A 49 7.071 0.295 -1.004 1.00 0.00 C ATOM 733 CD1 PHE A 49 8.319 0.337 -1.647 1.00 0.00 C ATOM 734 CD2 PHE A 49 5.900 0.534 -1.753 1.00 0.00 C ATOM 735 CE1 PHE A 49 8.415 0.677 -2.997 1.00 0.00 C ATOM 736 CE2 PHE A 49 6.009 0.954 -3.087 1.00 0.00 C ATOM 737 CZ PHE A 49 7.261 0.999 -3.714 1.00 0.00 C ATOM 0 H PHE A 49 5.985 -2.074 0.890 1.00 0.00 H new ATOM 0 HA PHE A 49 8.668 -1.263 0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.012 0.013 0.828 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.448 1.006 0.973 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.215 0.104 -1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.928 0.395 -1.303 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.378 0.691 -3.485 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.124 1.244 -3.633 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.334 1.283 -4.753 1.00 0.00 H new ATOM 747 N GLY A 50 9.621 -0.213 2.406 1.00 0.00 N ATOM 748 CA GLY A 50 10.402 0.002 3.618 1.00 0.00 C ATOM 749 C GLY A 50 11.214 -1.235 3.988 1.00 0.00 C ATOM 750 O GLY A 50 12.439 -1.165 4.098 1.00 0.00 O ATOM 0 H GLY A 50 10.038 0.210 1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.073 0.849 3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.735 0.260 4.441 1.00 0.00 H new ATOM 754 N THR A 51 10.554 -2.371 4.208 1.00 0.00 N ATOM 755 CA THR A 51 11.186 -3.608 4.657 1.00 0.00 C ATOM 756 C THR A 51 11.825 -4.387 3.496 1.00 0.00 C ATOM 757 O THR A 51 12.712 -5.215 3.729 1.00 0.00 O ATOM 758 CB THR A 51 10.132 -4.447 5.399 1.00 0.00 C ATOM 759 OG1 THR A 51 8.960 -4.556 4.619 1.00 0.00 O ATOM 760 CG2 THR A 51 9.753 -3.801 6.735 1.00 0.00 C ATOM 0 H THR A 51 9.546 -2.458 4.076 1.00 0.00 H new ATOM 0 HA THR A 51 12.006 -3.369 5.334 1.00 0.00 H new ATOM 0 HB THR A 51 10.565 -5.431 5.579 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.296 -5.093 5.099 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.006 -4.416 7.238 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.639 -3.720 7.364 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.343 -2.807 6.555 1.00 0.00 H new ATOM 768 N HIS A 52 11.390 -4.133 2.255 1.00 0.00 N ATOM 769 CA HIS A 52 11.734 -4.865 1.032 1.00 0.00 C ATOM 770 C HIS A 52 11.431 -6.370 1.138 1.00 0.00 C ATOM 771 O HIS A 52 11.967 -7.179 0.374 1.00 0.00 O ATOM 772 CB HIS A 52 13.185 -4.595 0.590 1.00 0.00 C ATOM 773 CG HIS A 52 13.636 -3.154 0.527 1.00 0.00 C ATOM 774 ND1 HIS A 52 14.952 -2.754 0.478 1.00 0.00 N ATOM 775 CD2 HIS A 52 12.858 -2.028 0.442 1.00 0.00 C ATOM 776 CE1 HIS A 52 14.969 -1.415 0.374 1.00 0.00 C ATOM 777 NE2 HIS A 52 13.715 -0.927 0.345 1.00 0.00 N ATOM 0 H HIS A 52 10.748 -3.362 2.068 1.00 0.00 H new ATOM 0 HA HIS A 52 11.084 -4.478 0.247 1.00 0.00 H new ATOM 0 HB2 HIS A 52 13.849 -5.126 1.272 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.324 -5.035 -0.398 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.778 -1.997 0.449 1.00 0.00 H new ATOM 0 HE1 HIS A 52 15.864 -0.814 0.321 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.443 0.053 0.268 1.00 0.00 H new ATOM 785 N GLU A 53 10.595 -6.775 2.097 1.00 0.00 N ATOM 786 CA GLU A 53 10.150 -8.156 2.185 1.00 0.00 C ATOM 787 C GLU A 53 9.214 -8.454 1.018 1.00 0.00 C ATOM 788 O GLU A 53 8.718 -7.554 0.338 1.00 0.00 O ATOM 789 CB GLU A 53 9.463 -8.424 3.528 1.00 0.00 C ATOM 790 CG GLU A 53 10.491 -8.501 4.657 1.00 0.00 C ATOM 791 CD GLU A 53 9.805 -8.854 5.969 1.00 0.00 C ATOM 792 OE1 GLU A 53 9.321 -7.942 6.679 1.00 0.00 O ATOM 793 OE2 GLU A 53 9.750 -10.041 6.349 1.00 0.00 O ATOM 0 H GLU A 53 10.217 -6.163 2.820 1.00 0.00 H new ATOM 0 HA GLU A 53 11.014 -8.818 2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.744 -7.632 3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.903 -9.358 3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.247 -9.250 4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.008 -7.546 4.754 1.00 0.00 H new ATOM 800 N THR A 54 8.946 -9.733 0.803 1.00 0.00 N ATOM 801 CA THR A 54 8.226 -10.232 -0.351 1.00 0.00 C ATOM 802 C THR A 54 7.332 -11.388 0.097 1.00 0.00 C ATOM 803 O THR A 54 7.682 -12.147 1.010 1.00 0.00 O ATOM 804 CB THR A 54 9.253 -10.647 -1.427 1.00 0.00 C ATOM 805 OG1 THR A 54 10.407 -11.263 -0.862 1.00 0.00 O ATOM 806 CG2 THR A 54 9.729 -9.435 -2.232 1.00 0.00 C ATOM 0 H THR A 54 9.233 -10.470 1.447 1.00 0.00 H new ATOM 0 HA THR A 54 7.581 -9.471 -0.790 1.00 0.00 H new ATOM 0 HB THR A 54 8.736 -11.359 -2.070 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.029 -11.511 -1.578 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.451 -9.757 -2.982 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.877 -8.969 -2.726 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.199 -8.715 -1.562 1.00 0.00 H new ATOM 814 N ALA A 55 6.181 -11.557 -0.552 1.00 0.00 N ATOM 815 CA ALA A 55 5.274 -12.680 -0.347 1.00 0.00 C ATOM 816 C ALA A 55 4.578 -13.005 -1.668 1.00 0.00 C ATOM 817 O ALA A 55 4.779 -12.312 -2.672 1.00 0.00 O ATOM 818 CB ALA A 55 4.254 -12.323 0.742 1.00 0.00 C ATOM 0 H ALA A 55 5.846 -10.897 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 55 5.828 -13.559 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.576 -13.163 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.777 -12.105 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.683 -11.448 0.433 1.00 0.00 H new ATOM 824 N PHE A 56 3.716 -14.019 -1.667 1.00 0.00 N ATOM 825 CA PHE A 56 2.747 -14.272 -2.722 1.00 0.00 C ATOM 826 C PHE A 56 1.377 -14.290 -2.059 1.00 0.00 C ATOM 827 O PHE A 56 1.042 -15.247 -1.362 1.00 0.00 O ATOM 828 CB PHE A 56 3.056 -15.578 -3.451 1.00 0.00 C ATOM 829 CG PHE A 56 4.114 -15.469 -4.533 1.00 0.00 C ATOM 830 CD1 PHE A 56 3.853 -14.712 -5.690 1.00 0.00 C ATOM 831 CD2 PHE A 56 5.301 -16.222 -4.449 1.00 0.00 C ATOM 832 CE1 PHE A 56 4.781 -14.688 -6.744 1.00 0.00 C ATOM 833 CE2 PHE A 56 6.227 -16.200 -5.504 1.00 0.00 C ATOM 834 CZ PHE A 56 5.973 -15.426 -6.647 1.00 0.00 C ATOM 0 H PHE A 56 3.674 -14.703 -0.912 1.00 0.00 H new ATOM 0 HA PHE A 56 2.782 -13.496 -3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.380 -16.318 -2.719 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.136 -15.954 -3.899 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.936 -14.147 -5.768 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.500 -16.818 -3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.579 -14.103 -7.629 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.136 -16.779 -5.436 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.693 -15.398 -7.451 1.00 0.00 H new ATOM 844 N LEU A 57 0.591 -13.241 -2.293 1.00 0.00 N ATOM 845 CA LEU A 57 -0.725 -13.000 -1.717 1.00 0.00 C ATOM 846 C LEU A 57 -1.721 -12.853 -2.864 1.00 0.00 C ATOM 847 O LEU A 57 -1.375 -12.332 -3.928 1.00 0.00 O ATOM 848 CB LEU A 57 -0.709 -11.722 -0.853 1.00 0.00 C ATOM 849 CG LEU A 57 0.251 -11.789 0.356 1.00 0.00 C ATOM 850 CD1 LEU A 57 0.766 -10.400 0.749 1.00 0.00 C ATOM 851 CD2 LEU A 57 -0.445 -12.448 1.550 1.00 0.00 C ATOM 0 H LEU A 57 0.875 -12.494 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.011 -13.832 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.428 -10.876 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.719 -11.529 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 57 1.110 -12.392 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.438 -10.489 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.303 -9.960 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.076 -9.762 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.243 -12.489 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.324 -11.866 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.749 -13.459 1.281 1.00 0.00 H new ATOM 863 N GLY A 58 -2.957 -13.300 -2.645 1.00 0.00 N ATOM 864 CA GLY A 58 -4.061 -13.110 -3.568 1.00 0.00 C ATOM 865 C GLY A 58 -4.890 -11.881 -3.188 1.00 0.00 C ATOM 866 O GLY A 58 -4.825 -11.416 -2.047 1.00 0.00 O ATOM 0 H GLY A 58 -3.218 -13.813 -1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.676 -12.994 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.696 -13.996 -3.567 1.00 0.00 H new ATOM 870 N PRO A 59 -5.704 -11.357 -4.118 1.00 0.00 N ATOM 871 CA PRO A 59 -6.311 -10.037 -4.014 1.00 0.00 C ATOM 872 C PRO A 59 -7.298 -9.899 -2.862 1.00 0.00 C ATOM 873 O PRO A 59 -7.495 -8.785 -2.392 1.00 0.00 O ATOM 874 CB PRO A 59 -6.979 -9.746 -5.363 1.00 0.00 C ATOM 875 CG PRO A 59 -7.005 -11.093 -6.084 1.00 0.00 C ATOM 876 CD PRO A 59 -5.910 -11.922 -5.432 1.00 0.00 C ATOM 0 HA PRO A 59 -5.534 -9.308 -3.787 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.985 -9.350 -5.229 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.417 -9.004 -5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.977 -11.575 -5.980 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.822 -10.971 -7.152 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.204 -12.969 -5.364 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.993 -11.886 -6.019 1.00 0.00 H new ATOM 884 N LYS A 60 -7.907 -10.980 -2.364 1.00 0.00 N ATOM 885 CA LYS A 60 -8.787 -10.869 -1.197 1.00 0.00 C ATOM 886 C LYS A 60 -8.024 -10.492 0.078 1.00 0.00 C ATOM 887 O LYS A 60 -8.678 -10.173 1.072 1.00 0.00 O ATOM 888 CB LYS A 60 -9.608 -12.153 -1.016 1.00 0.00 C ATOM 889 CG LYS A 60 -10.732 -12.246 -2.058 1.00 0.00 C ATOM 890 CD LYS A 60 -11.542 -13.534 -1.883 1.00 0.00 C ATOM 891 CE LYS A 60 -12.847 -13.428 -2.676 1.00 0.00 C ATOM 892 NZ LYS A 60 -13.737 -14.582 -2.454 1.00 0.00 N ATOM 0 H LYS A 60 -7.810 -11.923 -2.741 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.480 -10.049 -1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.954 -13.021 -1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.035 -12.176 -0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.391 -11.383 -1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.306 -12.214 -3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.963 -14.390 -2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.758 -13.700 -0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.367 -12.513 -2.393 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.617 -13.349 -3.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.606 -14.463 -3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.254 -15.455 -2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.980 -14.644 -1.445 1.00 0.00 H new ATOM 906 N ASP A 61 -6.688 -10.484 0.074 1.00 0.00 N ATOM 907 CA ASP A 61 -5.878 -10.008 1.194 1.00 0.00 C ATOM 908 C ASP A 61 -5.295 -8.614 0.915 1.00 0.00 C ATOM 909 O ASP A 61 -4.481 -8.146 1.715 1.00 0.00 O ATOM 910 CB ASP A 61 -4.756 -11.015 1.538 1.00 0.00 C ATOM 911 CG ASP A 61 -5.192 -12.219 2.375 1.00 0.00 C ATOM 912 OD1 ASP A 61 -6.355 -12.676 2.298 1.00 0.00 O ATOM 913 OD2 ASP A 61 -4.346 -12.734 3.149 1.00 0.00 O ATOM 0 H ASP A 61 -6.134 -10.812 -0.717 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.535 -9.925 2.059 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.319 -11.379 0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.968 -10.486 2.075 1.00 0.00 H new ATOM 918 N LEU A 62 -5.641 -7.962 -0.204 1.00 0.00 N ATOM 919 CA LEU A 62 -4.964 -6.774 -0.737 1.00 0.00 C ATOM 920 C LEU A 62 -6.003 -5.713 -1.105 1.00 0.00 C ATOM 921 O LEU A 62 -7.154 -6.058 -1.395 1.00 0.00 O ATOM 922 CB LEU A 62 -4.151 -7.152 -1.991 1.00 0.00 C ATOM 923 CG LEU A 62 -3.141 -8.302 -1.801 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.558 -8.737 -3.139 1.00 0.00 C ATOM 925 CD2 LEU A 62 -1.990 -7.907 -0.876 1.00 0.00 C ATOM 0 H LEU A 62 -6.427 -8.259 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.290 -6.377 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.846 -7.428 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.611 -6.269 -2.333 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.692 -9.125 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.848 -9.549 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.361 -9.079 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.047 -7.894 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.303 -8.747 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.459 -7.055 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.386 -7.637 0.103 1.00 0.00 H new ATOM 937 N PHE A 63 -5.609 -4.437 -1.091 1.00 0.00 N ATOM 938 CA PHE A 63 -6.514 -3.303 -1.260 1.00 0.00 C ATOM 939 C PHE A 63 -5.832 -2.191 -2.073 1.00 0.00 C ATOM 940 O PHE A 63 -4.630 -1.977 -1.892 1.00 0.00 O ATOM 941 CB PHE A 63 -6.941 -2.795 0.127 1.00 0.00 C ATOM 942 CG PHE A 63 -7.715 -3.826 0.931 1.00 0.00 C ATOM 943 CD1 PHE A 63 -7.027 -4.762 1.729 1.00 0.00 C ATOM 944 CD2 PHE A 63 -9.113 -3.920 0.800 1.00 0.00 C ATOM 945 CE1 PHE A 63 -7.724 -5.822 2.333 1.00 0.00 C ATOM 946 CE2 PHE A 63 -9.814 -4.964 1.430 1.00 0.00 C ATOM 947 CZ PHE A 63 -9.117 -5.928 2.182 1.00 0.00 C ATOM 0 H PHE A 63 -4.636 -4.161 -0.960 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.400 -3.616 -1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.054 -2.499 0.687 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.555 -1.902 0.007 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.962 -4.664 1.877 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.649 -3.188 0.214 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.188 -6.557 2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.888 -5.026 1.337 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.651 -6.747 2.642 1.00 0.00 H new ATOM 957 N PRO A 64 -6.560 -1.459 -2.939 1.00 0.00 N ATOM 958 CA PRO A 64 -5.978 -0.421 -3.781 1.00 0.00 C ATOM 959 C PRO A 64 -5.470 0.738 -2.929 1.00 0.00 C ATOM 960 O PRO A 64 -6.215 1.291 -2.117 1.00 0.00 O ATOM 961 CB PRO A 64 -7.072 0.047 -4.747 1.00 0.00 C ATOM 962 CG PRO A 64 -8.335 -0.728 -4.377 1.00 0.00 C ATOM 963 CD PRO A 64 -7.998 -1.548 -3.137 1.00 0.00 C ATOM 0 HA PRO A 64 -5.123 -0.808 -4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.235 1.121 -4.658 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.786 -0.147 -5.781 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.162 -0.047 -4.178 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.646 -1.376 -5.197 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.530 -1.165 -2.266 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.305 -2.586 -3.267 1.00 0.00 H new ATOM 971 N TYR A 65 -4.223 1.156 -3.139 1.00 0.00 N ATOM 972 CA TYR A 65 -3.652 2.303 -2.450 1.00 0.00 C ATOM 973 C TYR A 65 -4.522 3.528 -2.665 1.00 0.00 C ATOM 974 O TYR A 65 -4.869 4.205 -1.702 1.00 0.00 O ATOM 975 CB TYR A 65 -2.240 2.574 -2.956 1.00 0.00 C ATOM 976 CG TYR A 65 -1.544 3.746 -2.301 1.00 0.00 C ATOM 977 CD1 TYR A 65 -1.028 3.611 -1.003 1.00 0.00 C ATOM 978 CD2 TYR A 65 -1.401 4.966 -2.987 1.00 0.00 C ATOM 979 CE1 TYR A 65 -0.405 4.699 -0.371 1.00 0.00 C ATOM 980 CE2 TYR A 65 -0.753 6.051 -2.370 1.00 0.00 C ATOM 981 CZ TYR A 65 -0.265 5.932 -1.046 1.00 0.00 C ATOM 982 OH TYR A 65 0.330 6.977 -0.400 1.00 0.00 O ATOM 0 H TYR A 65 -3.583 0.706 -3.793 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.608 2.082 -1.384 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.637 1.679 -2.802 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.282 2.749 -4.031 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.111 2.665 -0.488 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.790 5.069 -3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.031 4.593 0.637 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.627 6.979 -2.908 1.00 0.00 H new ATOM 0 HH TYR A 65 0.355 7.757 -0.993 1.00 0.00 H new ATOM 992 N LYS A 66 -4.911 3.800 -3.913 1.00 0.00 N ATOM 993 CA LYS A 66 -5.618 5.028 -4.253 1.00 0.00 C ATOM 994 C LYS A 66 -6.953 5.164 -3.520 1.00 0.00 C ATOM 995 O LYS A 66 -7.400 6.295 -3.336 1.00 0.00 O ATOM 996 CB LYS A 66 -5.797 5.110 -5.774 1.00 0.00 C ATOM 997 CG LYS A 66 -4.464 5.416 -6.478 1.00 0.00 C ATOM 998 CD LYS A 66 -4.553 5.400 -8.008 1.00 0.00 C ATOM 999 CE LYS A 66 -5.165 6.662 -8.632 1.00 0.00 C ATOM 1000 NZ LYS A 66 -6.635 6.704 -8.533 1.00 0.00 N ATOM 0 H LYS A 66 -4.745 3.180 -4.706 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.012 5.869 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.199 4.168 -6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.525 5.885 -6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.110 6.395 -6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.720 4.686 -6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.551 5.260 -8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.144 4.537 -8.314 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.749 7.541 -8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.876 6.717 -9.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.024 7.203 -9.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.009 5.734 -8.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.910 7.205 -7.664 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.574 4.062 -3.095 1.00 0.00 N ATOM 1015 CA GLU A 67 -8.785 4.057 -2.277 1.00 0.00 C ATOM 1016 C GLU A 67 -8.426 4.262 -0.795 1.00 0.00 C ATOM 1017 O GLU A 67 -9.096 5.014 -0.087 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.517 2.711 -2.450 1.00 0.00 C ATOM 1019 CG GLU A 67 -10.944 2.809 -2.996 1.00 0.00 C ATOM 1020 CD GLU A 67 -11.024 3.003 -4.509 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -10.602 2.090 -5.255 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -11.590 4.035 -4.954 1.00 0.00 O ATOM 0 H GLU A 67 -7.239 3.125 -3.317 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.434 4.871 -2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.932 2.081 -3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.549 2.206 -1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.486 1.902 -2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.452 3.640 -2.507 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.382 3.594 -0.297 1.00 0.00 N ATOM 1030 CA TYR A 68 -7.084 3.415 1.134 1.00 0.00 C ATOM 1031 C TYR A 68 -5.997 4.357 1.669 1.00 0.00 C ATOM 1032 O TYR A 68 -5.571 4.234 2.820 1.00 0.00 O ATOM 1033 CB TYR A 68 -6.736 1.942 1.358 1.00 0.00 C ATOM 1034 CG TYR A 68 -7.976 1.081 1.392 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -8.626 0.851 2.611 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -8.537 0.604 0.200 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -9.839 0.145 2.647 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -9.758 -0.090 0.214 1.00 0.00 C ATOM 1039 CZ TYR A 68 -10.420 -0.303 1.444 1.00 0.00 C ATOM 1040 OH TYR A 68 -11.628 -0.919 1.491 1.00 0.00 O ATOM 0 H TYR A 68 -6.692 3.144 -0.899 1.00 0.00 H new ATOM 0 HA TYR A 68 -7.969 3.689 1.709 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.074 1.598 0.563 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.191 1.834 2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.192 1.219 3.529 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.027 0.771 -0.737 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.324 -0.054 3.591 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.187 -0.457 -0.707 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.902 -1.171 0.585 1.00 0.00 H new ATOM 1050 N LYS A 69 -5.542 5.298 0.848 1.00 0.00 N ATOM 1051 CA LYS A 69 -4.368 6.134 1.033 1.00 0.00 C ATOM 1052 C LYS A 69 -4.430 6.965 2.311 1.00 0.00 C ATOM 1053 O LYS A 69 -3.390 7.210 2.904 1.00 0.00 O ATOM 1054 CB LYS A 69 -4.247 6.978 -0.248 1.00 0.00 C ATOM 1055 CG LYS A 69 -3.353 8.196 -0.092 1.00 0.00 C ATOM 1056 CD LYS A 69 -3.294 9.005 -1.394 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.276 10.150 -1.350 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.256 10.883 -0.062 1.00 0.00 N ATOM 0 H LYS A 69 -6.022 5.509 -0.027 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.471 5.531 1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.857 6.352 -1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.241 7.304 -0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.728 8.826 0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.349 7.881 0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.044 8.337 -2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.282 9.414 -1.605 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.282 9.747 -1.544 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.498 10.852 -2.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.647 11.722 -0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.222 11.180 0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.885 10.262 0.685 1.00 0.00 H new ATOM 1072 N ASP A 70 -5.610 7.412 2.734 1.00 0.00 N ATOM 1073 CA ASP A 70 -5.781 8.146 3.993 1.00 0.00 C ATOM 1074 C ASP A 70 -6.279 7.204 5.096 1.00 0.00 C ATOM 1075 O ASP A 70 -6.195 7.516 6.284 1.00 0.00 O ATOM 1076 CB ASP A 70 -6.849 9.229 3.828 1.00 0.00 C ATOM 1077 CG ASP A 70 -6.606 10.264 2.734 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -5.580 10.978 2.720 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -7.515 10.434 1.887 1.00 0.00 O ATOM 0 H ASP A 70 -6.478 7.277 2.215 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.816 8.579 4.256 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.803 8.740 3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.952 9.754 4.778 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.882 6.077 4.706 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.539 5.136 5.602 1.00 0.00 C ATOM 1086 C LYS A 71 -6.469 4.324 6.323 1.00 0.00 C ATOM 1087 O LYS A 71 -6.278 4.462 7.530 1.00 0.00 O ATOM 1088 CB LYS A 71 -8.502 4.238 4.797 1.00 0.00 C ATOM 1089 CG LYS A 71 -9.591 3.671 5.708 1.00 0.00 C ATOM 1090 CD LYS A 71 -10.241 2.442 5.063 1.00 0.00 C ATOM 1091 CE LYS A 71 -11.566 2.108 5.734 1.00 0.00 C ATOM 1092 NZ LYS A 71 -12.650 2.974 5.236 1.00 0.00 N ATOM 0 H LYS A 71 -6.925 5.791 3.728 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.134 5.662 6.348 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.957 4.813 3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.947 3.423 4.333 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.162 3.399 6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.347 4.432 5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.404 2.628 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.567 1.589 5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.817 1.064 5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.470 2.226 6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.541 2.723 5.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.419 3.968 5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.756 2.842 4.210 1.00 0.00 H new ATOM 1106 N PHE A 72 -5.783 3.475 5.561 1.00 0.00 N ATOM 1107 CA PHE A 72 -4.718 2.602 6.008 1.00 0.00 C ATOM 1108 C PHE A 72 -3.429 3.399 6.092 1.00 0.00 C ATOM 1109 O PHE A 72 -2.717 3.260 7.084 1.00 0.00 O ATOM 1110 CB PHE A 72 -4.576 1.440 5.015 1.00 0.00 C ATOM 1111 CG PHE A 72 -5.732 0.450 4.938 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -6.704 0.345 5.954 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -5.822 -0.397 3.818 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -7.731 -0.606 5.850 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -6.833 -1.368 3.728 1.00 0.00 C ATOM 1116 CZ PHE A 72 -7.792 -1.472 4.747 1.00 0.00 C ATOM 0 H PHE A 72 -5.971 3.378 4.563 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.944 2.196 6.994 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.424 1.861 4.021 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.672 0.886 5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.658 0.997 6.814 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.104 -0.299 3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.480 -0.672 6.625 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.872 -2.032 2.877 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.573 -2.215 4.683 1.00 0.00 H new ATOM 1126 N GLY A 73 -3.151 4.222 5.073 1.00 0.00 N ATOM 1127 CA GLY A 73 -2.005 5.108 4.984 1.00 0.00 C ATOM 1128 C GLY A 73 -2.006 6.042 6.180 1.00 0.00 C ATOM 1129 O GLY A 73 -2.724 7.044 6.226 1.00 0.00 O ATOM 0 H GLY A 73 -3.754 4.284 4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.082 4.528 4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.044 5.682 4.058 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.245 5.652 7.192 1.00 0.00 N ATOM 1134 CA LYS A 74 -1.105 6.313 8.476 1.00 0.00 C ATOM 1135 C LYS A 74 0.358 6.220 8.842 1.00 0.00 C ATOM 1136 O LYS A 74 0.932 5.140 8.763 1.00 0.00 O ATOM 1137 CB LYS A 74 -1.916 5.561 9.535 1.00 0.00 C ATOM 1138 CG LYS A 74 -3.437 5.615 9.345 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.108 6.840 9.973 1.00 0.00 C ATOM 1140 CE LYS A 74 -4.364 7.959 8.961 1.00 0.00 C ATOM 1141 NZ LYS A 74 -5.396 8.878 9.480 1.00 0.00 N ATOM 0 H LYS A 74 -0.673 4.810 7.131 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.455 7.344 8.426 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.602 4.517 9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.673 5.970 10.516 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.659 5.601 8.278 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.877 4.715 9.774 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.054 6.540 10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.479 7.221 10.778 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.441 8.506 8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.687 7.535 8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.566 9.636 8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.279 8.353 9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.072 9.294 10.376 1.00 0.00 H new ATOM 1155 N SER A 75 0.946 7.322 9.273 1.00 0.00 N ATOM 1156 CA SER A 75 2.317 7.370 9.723 1.00 0.00 C ATOM 1157 C SER A 75 2.368 6.677 11.087 1.00 0.00 C ATOM 1158 O SER A 75 1.618 7.045 11.998 1.00 0.00 O ATOM 1159 CB SER A 75 2.760 8.836 9.774 1.00 0.00 C ATOM 1160 OG SER A 75 2.121 9.611 8.766 1.00 0.00 O ATOM 0 H SER A 75 0.471 8.223 9.319 1.00 0.00 H new ATOM 0 HA SER A 75 3.004 6.854 9.052 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.530 9.252 10.755 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.841 8.895 9.648 1.00 0.00 H new ATOM 0 HG SER A 75 2.424 10.541 8.827 1.00 0.00 H new ATOM 1166 N ASN A 76 3.195 5.641 11.206 1.00 0.00 N ATOM 1167 CA ASN A 76 3.522 4.929 12.448 1.00 0.00 C ATOM 1168 C ASN A 76 4.995 4.481 12.396 1.00 0.00 C ATOM 1169 O ASN A 76 5.619 4.576 11.340 1.00 0.00 O ATOM 1170 CB ASN A 76 2.565 3.743 12.647 1.00 0.00 C ATOM 1171 CG ASN A 76 2.506 3.221 14.075 1.00 0.00 C ATOM 1172 OD1 ASN A 76 2.985 3.846 15.014 1.00 0.00 O ATOM 1173 ND2 ASN A 76 1.932 2.052 14.263 1.00 0.00 N ATOM 0 H ASN A 76 3.683 5.252 10.399 1.00 0.00 H new ATOM 0 HA ASN A 76 3.395 5.590 13.306 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.563 4.044 12.341 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.870 2.930 11.987 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.881 1.654 15.201 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.538 1.544 13.471 1.00 0.00 H new ATOM 1180 N LYS A 77 5.555 3.959 13.493 1.00 0.00 N ATOM 1181 CA LYS A 77 6.954 3.518 13.561 1.00 0.00 C ATOM 1182 C LYS A 77 7.124 2.060 13.128 1.00 0.00 C ATOM 1183 O LYS A 77 7.826 1.806 12.148 1.00 0.00 O ATOM 1184 CB LYS A 77 7.513 3.766 14.971 1.00 0.00 C ATOM 1185 CG LYS A 77 8.213 5.130 15.070 1.00 0.00 C ATOM 1186 CD LYS A 77 8.474 5.487 16.538 1.00 0.00 C ATOM 1187 CE LYS A 77 9.746 6.324 16.704 1.00 0.00 C ATOM 1188 NZ LYS A 77 10.136 6.445 18.125 1.00 0.00 N ATOM 0 H LYS A 77 5.046 3.829 14.367 1.00 0.00 H new ATOM 0 HA LYS A 77 7.531 4.111 12.851 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.702 3.719 15.698 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.218 2.975 15.228 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.155 5.104 14.522 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.595 5.898 14.606 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.622 6.039 16.935 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.562 4.572 17.124 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.559 5.867 16.141 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.586 7.317 16.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.001 7.018 18.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.369 6.904 18.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.312 5.499 18.518 1.00 0.00 H new ATOM 1202 N ARG A 78 6.475 1.100 13.811 1.00 0.00 N ATOM 1203 CA ARG A 78 6.667 -0.339 13.582 1.00 0.00 C ATOM 1204 C ARG A 78 8.161 -0.651 13.453 1.00 0.00 C ATOM 1205 O ARG A 78 8.924 -0.340 14.364 1.00 0.00 O ATOM 1206 CB ARG A 78 5.666 -0.828 12.501 1.00 0.00 C ATOM 1207 CG ARG A 78 4.466 -1.579 13.095 1.00 0.00 C ATOM 1208 CD ARG A 78 4.750 -3.087 13.250 1.00 0.00 C ATOM 1209 NE ARG A 78 3.745 -3.805 14.057 1.00 0.00 N ATOM 1210 CZ ARG A 78 3.466 -3.594 15.348 1.00 0.00 C ATOM 1211 NH1 ARG A 78 4.243 -2.814 16.085 1.00 0.00 N ATOM 1212 NH2 ARG A 78 2.398 -4.164 15.890 1.00 0.00 N ATOM 0 H ARG A 78 5.796 1.306 14.544 1.00 0.00 H new ATOM 0 HA ARG A 78 6.395 -0.965 14.432 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.306 0.029 11.932 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.186 -1.481 11.800 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.218 -1.155 14.068 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.596 -1.438 12.454 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.799 -3.541 12.260 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.730 -3.217 13.709 1.00 0.00 H new ATOM 0 HE ARG A 78 3.211 -4.534 13.584 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.061 -2.369 15.669 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.023 -2.658 17.069 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.795 -4.760 15.323 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.180 -4.007 16.874 1.00 0.00 H new ATOM 1226 N LYS A 79 8.557 -1.301 12.374 1.00 0.00 N ATOM 1227 CA LYS A 79 9.926 -1.590 11.958 1.00 0.00 C ATOM 1228 C LYS A 79 9.976 -1.315 10.457 1.00 0.00 C ATOM 1229 O LYS A 79 9.368 -2.073 9.711 1.00 0.00 O ATOM 1230 CB LYS A 79 10.260 -3.058 12.298 1.00 0.00 C ATOM 1231 CG LYS A 79 11.709 -3.440 11.947 1.00 0.00 C ATOM 1232 CD LYS A 79 11.986 -4.948 12.035 1.00 0.00 C ATOM 1233 CE LYS A 79 11.771 -5.515 13.446 1.00 0.00 C ATOM 1234 NZ LYS A 79 12.033 -6.969 13.512 1.00 0.00 N ATOM 0 H LYS A 79 7.878 -1.672 11.709 1.00 0.00 H new ATOM 0 HA LYS A 79 10.665 -0.975 12.471 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.093 -3.226 13.362 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.576 -3.715 11.760 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.932 -3.097 10.937 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.387 -2.915 12.619 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.336 -5.473 11.335 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.012 -5.142 11.724 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.426 -4.998 14.147 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.747 -5.318 13.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.875 -7.306 14.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.391 -7.467 12.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.018 -7.157 13.236 1.00 0.00 H new ATOM 1248 N GLY A 80 10.584 -0.218 10.001 1.00 0.00 N ATOM 1249 CA GLY A 80 10.594 0.109 8.571 1.00 0.00 C ATOM 1250 C GLY A 80 9.301 0.745 8.065 1.00 0.00 C ATOM 1251 O GLY A 80 9.158 0.944 6.861 1.00 0.00 O ATOM 0 H GLY A 80 11.072 0.454 10.593 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.422 0.789 8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.784 -0.802 8.003 1.00 0.00 H new ATOM 1255 N PHE A 81 8.334 1.045 8.940 1.00 0.00 N ATOM 1256 CA PHE A 81 7.006 1.455 8.501 1.00 0.00 C ATOM 1257 C PHE A 81 7.017 2.902 8.020 1.00 0.00 C ATOM 1258 O PHE A 81 6.582 3.145 6.903 1.00 0.00 O ATOM 1259 CB PHE A 81 5.998 1.216 9.622 1.00 0.00 C ATOM 1260 CG PHE A 81 4.529 1.236 9.249 1.00 0.00 C ATOM 1261 CD1 PHE A 81 3.947 0.182 8.528 1.00 0.00 C ATOM 1262 CD2 PHE A 81 3.717 2.298 9.666 1.00 0.00 C ATOM 1263 CE1 PHE A 81 2.571 0.180 8.242 1.00 0.00 C ATOM 1264 CE2 PHE A 81 2.344 2.308 9.381 1.00 0.00 C ATOM 1265 CZ PHE A 81 1.769 1.256 8.657 1.00 0.00 C ATOM 0 H PHE A 81 8.451 1.010 9.953 1.00 0.00 H new ATOM 0 HA PHE A 81 6.700 0.850 7.648 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.219 0.249 10.074 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.162 1.972 10.390 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.564 -0.637 8.189 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.154 3.120 10.214 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.131 -0.647 7.704 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.729 3.128 9.720 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.716 1.272 8.419 1.00 0.00 H new ATOM 1275 N ASN A 82 7.511 3.864 8.810 1.00 0.00 N ATOM 1276 CA ASN A 82 7.536 5.274 8.408 1.00 0.00 C ATOM 1277 C ASN A 82 8.248 5.437 7.061 1.00 0.00 C ATOM 1278 O ASN A 82 7.779 6.188 6.205 1.00 0.00 O ATOM 1279 CB ASN A 82 8.245 6.141 9.478 1.00 0.00 C ATOM 1280 CG ASN A 82 7.347 7.138 10.195 1.00 0.00 C ATOM 1281 OD1 ASN A 82 7.465 7.348 11.404 1.00 0.00 O ATOM 1282 ND2 ASN A 82 6.440 7.808 9.508 1.00 0.00 N ATOM 0 H ASN A 82 7.901 3.689 9.736 1.00 0.00 H new ATOM 0 HA ASN A 82 6.504 5.611 8.310 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.694 5.481 10.220 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.060 6.686 9.001 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.846 8.491 9.978 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.333 7.643 8.507 1.00 0.00 H new ATOM 1289 N GLU A 83 9.348 4.705 6.875 1.00 0.00 N ATOM 1290 CA GLU A 83 10.115 4.646 5.637 1.00 0.00 C ATOM 1291 C GLU A 83 9.257 4.095 4.499 1.00 0.00 C ATOM 1292 O GLU A 83 9.169 4.732 3.454 1.00 0.00 O ATOM 1293 CB GLU A 83 11.354 3.766 5.848 1.00 0.00 C ATOM 1294 CG GLU A 83 12.397 4.435 6.752 1.00 0.00 C ATOM 1295 CD GLU A 83 13.233 3.376 7.464 1.00 0.00 C ATOM 1296 OE1 GLU A 83 14.248 2.923 6.891 1.00 0.00 O ATOM 1297 OE2 GLU A 83 12.836 2.968 8.583 1.00 0.00 O ATOM 0 H GLU A 83 9.740 4.117 7.611 1.00 0.00 H new ATOM 0 HA GLU A 83 10.431 5.653 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.051 2.816 6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.805 3.540 4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.044 5.080 6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.900 5.070 7.485 1.00 0.00 H new ATOM 1304 N GLY A 84 8.614 2.938 4.692 1.00 0.00 N ATOM 1305 CA GLY A 84 7.799 2.293 3.670 1.00 0.00 C ATOM 1306 C GLY A 84 6.581 3.123 3.279 1.00 0.00 C ATOM 1307 O GLY A 84 6.195 3.144 2.109 1.00 0.00 O ATOM 0 H GLY A 84 8.648 2.423 5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.409 2.112 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.469 1.320 4.035 1.00 0.00 H new ATOM 1311 N LEU A 85 5.978 3.829 4.238 1.00 0.00 N ATOM 1312 CA LEU A 85 4.906 4.772 3.984 1.00 0.00 C ATOM 1313 C LEU A 85 5.443 5.902 3.121 1.00 0.00 C ATOM 1314 O LEU A 85 4.839 6.201 2.099 1.00 0.00 O ATOM 1315 CB LEU A 85 4.320 5.303 5.301 1.00 0.00 C ATOM 1316 CG LEU A 85 3.209 4.431 5.908 1.00 0.00 C ATOM 1317 CD1 LEU A 85 1.914 4.424 5.079 1.00 0.00 C ATOM 1318 CD2 LEU A 85 3.643 3.051 6.383 1.00 0.00 C ATOM 0 H LEU A 85 6.230 3.755 5.224 1.00 0.00 H new ATOM 0 HA LEU A 85 4.095 4.272 3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.126 5.399 6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.924 6.304 5.129 1.00 0.00 H new ATOM 0 HG LEU A 85 2.962 4.944 6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.174 3.789 5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.526 5.440 5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.123 4.038 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.784 2.520 6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.050 2.488 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.407 3.155 7.154 1.00 0.00 H new ATOM 1330 N TRP A 86 6.580 6.498 3.488 1.00 0.00 N ATOM 1331 CA TRP A 86 7.201 7.519 2.659 1.00 0.00 C ATOM 1332 C TRP A 86 7.502 6.978 1.258 1.00 0.00 C ATOM 1333 O TRP A 86 7.364 7.714 0.283 1.00 0.00 O ATOM 1334 CB TRP A 86 8.419 8.115 3.372 1.00 0.00 C ATOM 1335 CG TRP A 86 9.169 9.141 2.581 1.00 0.00 C ATOM 1336 CD1 TRP A 86 9.169 10.480 2.763 1.00 0.00 C ATOM 1337 CD2 TRP A 86 10.112 8.889 1.504 1.00 0.00 C ATOM 1338 NE1 TRP A 86 10.012 11.067 1.837 1.00 0.00 N ATOM 1339 CE2 TRP A 86 10.625 10.127 1.031 1.00 0.00 C ATOM 1340 CE3 TRP A 86 10.605 7.709 0.922 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 11.566 10.183 -0.010 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 11.585 7.747 -0.087 1.00 0.00 C ATOM 1343 CH2 TRP A 86 12.058 8.985 -0.561 1.00 0.00 C ATOM 0 H TRP A 86 7.083 6.289 4.350 1.00 0.00 H new ATOM 0 HA TRP A 86 6.503 8.343 2.510 1.00 0.00 H new ATOM 0 HB2 TRP A 86 8.090 8.567 4.307 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.102 7.306 3.632 1.00 0.00 H new ATOM 0 HD1 TRP A 86 8.600 11.009 3.514 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.163 12.073 1.759 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.225 6.755 1.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 11.909 11.136 -0.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 11.974 6.827 -0.497 1.00 0.00 H new ATOM 0 HH2 TRP A 86 12.798 9.016 -1.347 1.00 0.00 H new ATOM 1354 N GLU A 87 7.884 5.710 1.126 1.00 0.00 N ATOM 1355 CA GLU A 87 8.244 5.134 -0.156 1.00 0.00 C ATOM 1356 C GLU A 87 7.023 5.039 -1.066 1.00 0.00 C ATOM 1357 O GLU A 87 7.119 5.437 -2.229 1.00 0.00 O ATOM 1358 CB GLU A 87 8.887 3.751 0.044 1.00 0.00 C ATOM 1359 CG GLU A 87 10.282 3.698 -0.581 1.00 0.00 C ATOM 1360 CD GLU A 87 10.768 2.258 -0.736 1.00 0.00 C ATOM 1361 OE1 GLU A 87 10.738 1.490 0.254 1.00 0.00 O ATOM 1362 OE2 GLU A 87 11.087 1.911 -1.896 1.00 0.00 O ATOM 0 H GLU A 87 7.951 5.058 1.907 1.00 0.00 H new ATOM 0 HA GLU A 87 8.972 5.786 -0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.953 3.528 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.255 2.984 -0.404 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.264 4.185 -1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.983 4.255 0.041 1.00 0.00 H new ATOM 1369 N ILE A 88 5.890 4.524 -0.575 1.00 0.00 N ATOM 1370 CA ILE A 88 4.685 4.415 -1.397 1.00 0.00 C ATOM 1371 C ILE A 88 4.144 5.814 -1.713 1.00 0.00 C ATOM 1372 O ILE A 88 3.660 6.063 -2.816 1.00 0.00 O ATOM 1373 CB ILE A 88 3.644 3.490 -0.727 1.00 0.00 C ATOM 1374 CG1 ILE A 88 2.594 3.038 -1.758 1.00 0.00 C ATOM 1375 CG2 ILE A 88 2.970 4.116 0.507 1.00 0.00 C ATOM 1376 CD1 ILE A 88 1.850 1.778 -1.305 1.00 0.00 C ATOM 0 H ILE A 88 5.785 4.180 0.379 1.00 0.00 H new ATOM 0 HA ILE A 88 4.930 3.946 -2.350 1.00 0.00 H new ATOM 0 HB ILE A 88 4.189 2.621 -0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.877 3.843 -1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.083 2.847 -2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.252 3.411 0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.727 4.350 1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.453 5.030 0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.119 1.495 -2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.562 0.965 -1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.338 1.976 -0.363 1.00 0.00 H new ATOM 1388 N GLU A 89 4.282 6.748 -0.767 1.00 0.00 N ATOM 1389 CA GLU A 89 3.860 8.134 -0.901 1.00 0.00 C ATOM 1390 C GLU A 89 4.617 8.849 -2.024 1.00 0.00 C ATOM 1391 O GLU A 89 4.134 9.881 -2.492 1.00 0.00 O ATOM 1392 CB GLU A 89 4.063 8.863 0.440 1.00 0.00 C ATOM 1393 CG GLU A 89 3.001 8.482 1.486 1.00 0.00 C ATOM 1394 CD GLU A 89 3.358 8.858 2.930 1.00 0.00 C ATOM 1395 OE1 GLU A 89 4.316 9.633 3.169 1.00 0.00 O ATOM 1396 OE2 GLU A 89 2.623 8.399 3.836 1.00 0.00 O ATOM 0 H GLU A 89 4.705 6.548 0.139 1.00 0.00 H new ATOM 0 HA GLU A 89 2.803 8.148 -1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.053 8.629 0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.033 9.940 0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.061 8.965 1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.832 7.406 1.437 1.00 0.00 H new ATOM 1403 N ASN A 90 5.757 8.316 -2.480 1.00 0.00 N ATOM 1404 CA ASN A 90 6.701 8.973 -3.384 1.00 0.00 C ATOM 1405 C ASN A 90 7.099 8.087 -4.566 1.00 0.00 C ATOM 1406 O ASN A 90 8.038 8.423 -5.289 1.00 0.00 O ATOM 1407 CB ASN A 90 7.933 9.405 -2.571 1.00 0.00 C ATOM 1408 CG ASN A 90 7.574 10.597 -1.704 1.00 0.00 C ATOM 1409 OD1 ASN A 90 7.284 11.682 -2.193 1.00 0.00 O ATOM 1410 ND2 ASN A 90 7.534 10.423 -0.399 1.00 0.00 N ATOM 0 H ASN A 90 6.056 7.377 -2.217 1.00 0.00 H new ATOM 0 HA ASN A 90 6.215 9.846 -3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.279 8.580 -1.948 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.752 9.663 -3.242 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.260 11.194 0.210 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.777 9.517 0.002 1.00 0.00 H new ATOM 1417 N SER A 91 6.425 6.953 -4.769 1.00 0.00 N ATOM 1418 CA SER A 91 6.864 5.907 -5.688 1.00 0.00 C ATOM 1419 C SER A 91 6.860 6.326 -7.168 1.00 0.00 C ATOM 1420 O SER A 91 7.474 5.646 -8.002 1.00 0.00 O ATOM 1421 CB SER A 91 5.994 4.665 -5.458 1.00 0.00 C ATOM 1422 OG SER A 91 6.728 3.493 -5.726 1.00 0.00 O ATOM 0 H SER A 91 5.549 6.735 -4.293 1.00 0.00 H new ATOM 0 HA SER A 91 7.910 5.692 -5.468 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.636 4.650 -4.429 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.115 4.705 -6.101 1.00 0.00 H new ATOM 0 HG SER A 91 6.750 2.930 -4.924 1.00 0.00 H new ATOM 1428 N GLY A 92 6.191 7.426 -7.518 1.00 0.00 N ATOM 1429 CA GLY A 92 6.214 8.009 -8.847 1.00 0.00 C ATOM 1430 C GLY A 92 4.899 8.738 -9.105 1.00 0.00 C ATOM 1431 O GLY A 92 3.984 8.106 -9.648 1.00 0.00 O ATOM 0 H GLY A 92 5.605 7.944 -6.863 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.050 8.702 -8.937 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.363 7.230 -9.595 1.00 0.00 H new ATOM 1435 N PRO A 93 4.767 10.026 -8.742 1.00 0.00 N ATOM 1436 CA PRO A 93 3.529 10.782 -8.901 1.00 0.00 C ATOM 1437 C PRO A 93 3.219 11.011 -10.382 1.00 0.00 C ATOM 1438 O PRO A 93 3.907 11.797 -11.044 1.00 0.00 O ATOM 1439 CB PRO A 93 3.759 12.100 -8.153 1.00 0.00 C ATOM 1440 CG PRO A 93 5.275 12.284 -8.182 1.00 0.00 C ATOM 1441 CD PRO A 93 5.793 10.850 -8.111 1.00 0.00 C ATOM 0 HA PRO A 93 2.667 10.250 -8.499 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.247 12.930 -8.640 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.383 12.050 -7.131 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.604 12.788 -9.091 1.00 0.00 H new ATOM 0 HG3 PRO A 93 5.626 12.882 -7.341 1.00 0.00 H new ATOM 0 HD2 PRO A 93 6.747 10.752 -8.630 1.00 0.00 H new ATOM 0 HD3 PRO A 93 5.959 10.545 -7.078 1.00 0.00 H new ATOM 1449 N SER A 94 2.199 10.336 -10.914 1.00 0.00 N ATOM 1450 CA SER A 94 1.713 10.566 -12.273 1.00 0.00 C ATOM 1451 C SER A 94 1.241 12.016 -12.442 1.00 0.00 C ATOM 1452 O SER A 94 0.883 12.678 -11.461 1.00 0.00 O ATOM 1453 CB SER A 94 0.568 9.597 -12.591 1.00 0.00 C ATOM 1454 OG SER A 94 0.976 8.241 -12.475 1.00 0.00 O ATOM 0 H SER A 94 1.686 9.612 -10.412 1.00 0.00 H new ATOM 0 HA SER A 94 2.533 10.389 -12.969 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.266 9.785 -11.914 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.206 9.782 -13.602 1.00 0.00 H new ATOM 0 HG SER A 94 0.220 7.653 -12.683 1.00 0.00 H new ATOM 1460 N SER A 95 1.236 12.519 -13.676 1.00 0.00 N ATOM 1461 CA SER A 95 0.824 13.875 -14.006 1.00 0.00 C ATOM 1462 C SER A 95 -0.453 13.848 -14.848 1.00 0.00 C ATOM 1463 O SER A 95 -0.846 12.795 -15.367 1.00 0.00 O ATOM 1464 CB SER A 95 1.983 14.563 -14.739 1.00 0.00 C ATOM 1465 OG SER A 95 2.345 13.868 -15.917 1.00 0.00 O ATOM 0 H SER A 95 1.526 11.978 -14.491 1.00 0.00 H new ATOM 0 HA SER A 95 0.594 14.440 -13.103 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.698 15.584 -14.992 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.845 14.628 -14.076 1.00 0.00 H new ATOM 0 HG SER A 95 3.085 14.335 -16.358 1.00 0.00 H new ATOM 1471 N GLY A 96 -1.070 15.015 -15.031 1.00 0.00 N ATOM 1472 CA GLY A 96 -2.186 15.178 -15.942 1.00 0.00 C ATOM 1473 C GLY A 96 -3.472 14.628 -15.379 1.00 0.00 C ATOM 1474 O GLY A 96 -3.648 14.683 -14.143 1.00 0.00 O ATOM 0 H GLY A 96 -0.804 15.872 -14.547 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.315 16.236 -16.169 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.960 14.676 -16.883 1.00 0.00 H new TER 1478 GLY A 96