USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 668 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 83 LYS NZ :NH3+ -132:sc= 0.394 (180deg=-0.144) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 86 ASN : amide:sc= -3.41! C(o=-2.8!,f=-10!) USER MOD Set 2.2: A 88 THR OG1 : rot 87:sc= 0.57 USER MOD Set 3.1: A 73 HIS : no HD1:sc= -0.634 X(o=0.39,f=0.25) USER MOD Set 3.2: A 76 SER OG : rot -0:sc= 1.02 USER MOD Set 4.1: A 33 GLN : amide:sc= -0.983 K(o=-0.98,f=-2.7) USER MOD Set 4.2: A 44 TYR OH : rot 30:sc= 0 USER MOD Set 5.1: A 28 THR OG1 : rot -89:sc= 1.13 USER MOD Set 5.2: A 68 THR OG1 : rot 72:sc= -2.46! USER MOD Single : A 12 THR OG1 : rot -108:sc= 0.123 USER MOD Single : A 16 GLN : amide:sc= -0.734 K(o=-0.73,f=0) USER MOD Single : A 26 SER OG : rot 30:sc= 0.201 USER MOD Single : A 30 SER OG : rot -52:sc= -0.838 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0342 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.0925 K(o=-0.093,f=-1.5!) USER MOD Single : A 60 TYR OH : rot -67:sc= -0.715 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -110:sc= -1.54 (180deg=-6.82!) USER MOD Single : A 67 CYS SG : rot -164:sc= -1.6! USER MOD Single : A 75 ASN : amide:sc=-0.00104 K(o=-0.001,f=-0.89) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 78 TYR OH : rot 180:sc= -1.46 USER MOD Single : A 79 ASN : amide:sc= -0.627 K(o=-0.63,f=-2.4) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 132:sc= 1.11 USER MOD Single : A 94 SER OG : rot 120:sc= -1.25 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0892 USER MOD Single : A 100 GLN : amide:sc= 0.778 K(o=0.78,f=-5.8!) USER MOD Single : A 101 THR OG1 : rot -75:sc= 1.43 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 17.591 -8.721 -1.450 1.00 0.00 N ATOM 67 CA PRO A 8 16.230 -9.263 -1.502 1.00 0.00 C ATOM 68 C PRO A 8 15.168 -8.169 -1.467 1.00 0.00 C ATOM 69 O PRO A 8 15.463 -7.012 -1.165 1.00 0.00 O ATOM 70 CB PRO A 8 16.145 -10.130 -0.243 1.00 0.00 C ATOM 71 CG PRO A 8 17.144 -9.539 0.691 1.00 0.00 C ATOM 72 CD PRO A 8 18.258 -9.015 -0.171 1.00 0.00 C ATOM 0 HA PRO A 8 16.045 -9.810 -2.427 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.143 -10.110 0.185 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.377 -11.172 -0.463 1.00 0.00 H new ATOM 0 HG2 PRO A 8 16.699 -8.739 1.283 1.00 0.00 H new ATOM 0 HG3 PRO A 8 17.513 -10.287 1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 8 18.713 -8.123 0.259 1.00 0.00 H new ATOM 0 HD3 PRO A 8 19.053 -9.751 -0.292 1.00 0.00 H new ATOM 80 N VAL A 9 13.931 -8.541 -1.779 1.00 0.00 N ATOM 81 CA VAL A 9 12.824 -7.592 -1.782 1.00 0.00 C ATOM 82 C VAL A 9 12.787 -6.787 -0.487 1.00 0.00 C ATOM 83 O VAL A 9 13.247 -7.233 0.564 1.00 0.00 O ATOM 84 CB VAL A 9 11.472 -8.306 -1.968 1.00 0.00 C ATOM 85 CG1 VAL A 9 11.312 -8.778 -3.405 1.00 0.00 C ATOM 86 CG2 VAL A 9 11.347 -9.471 -0.998 1.00 0.00 C ATOM 0 H VAL A 9 13.670 -9.494 -2.033 1.00 0.00 H new ATOM 0 HA VAL A 9 12.988 -6.917 -2.622 1.00 0.00 H new ATOM 0 HB VAL A 9 10.673 -7.597 -1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.351 -9.280 -3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.355 -7.920 -4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.115 -9.472 -3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.386 -9.964 -1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.151 -10.184 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 9 11.414 -9.101 0.025 1.00 0.00 H new ATOM 96 N PRO A 10 12.226 -5.571 -0.563 1.00 0.00 N ATOM 97 CA PRO A 10 12.114 -4.678 0.595 1.00 0.00 C ATOM 98 C PRO A 10 11.110 -5.185 1.624 1.00 0.00 C ATOM 99 O PRO A 10 9.970 -5.505 1.287 1.00 0.00 O ATOM 100 CB PRO A 10 11.632 -3.361 -0.019 1.00 0.00 C ATOM 101 CG PRO A 10 10.931 -3.761 -1.271 1.00 0.00 C ATOM 102 CD PRO A 10 11.657 -4.974 -1.783 1.00 0.00 C ATOM 0 HA PRO A 10 13.056 -4.593 1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.962 -2.831 0.658 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.467 -2.693 -0.229 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.883 -3.987 -1.076 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.952 -2.955 -2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.981 -5.663 -2.290 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.434 -4.705 -2.499 1.00 0.00 H new ATOM 110 N ALA A 11 11.541 -5.256 2.879 1.00 0.00 N ATOM 111 CA ALA A 11 10.678 -5.723 3.957 1.00 0.00 C ATOM 112 C ALA A 11 9.318 -5.034 3.909 1.00 0.00 C ATOM 113 O ALA A 11 9.234 -3.809 3.817 1.00 0.00 O ATOM 114 CB ALA A 11 11.344 -5.488 5.305 1.00 0.00 C ATOM 0 H ALA A 11 12.482 -4.996 3.174 1.00 0.00 H new ATOM 0 HA ALA A 11 10.519 -6.793 3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.689 -5.841 6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.288 -6.031 5.344 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.533 -4.423 5.437 1.00 0.00 H new ATOM 120 N THR A 12 8.255 -5.829 3.972 1.00 0.00 N ATOM 121 CA THR A 12 6.899 -5.296 3.934 1.00 0.00 C ATOM 122 C THR A 12 6.716 -4.184 4.961 1.00 0.00 C ATOM 123 O THR A 12 7.184 -4.272 6.096 1.00 0.00 O ATOM 124 CB THR A 12 5.854 -6.398 4.195 1.00 0.00 C ATOM 125 OG1 THR A 12 5.984 -7.437 3.218 1.00 0.00 O ATOM 126 CG2 THR A 12 4.445 -5.828 4.153 1.00 0.00 C ATOM 0 H THR A 12 8.307 -6.845 4.050 1.00 0.00 H new ATOM 0 HA THR A 12 6.747 -4.891 2.933 1.00 0.00 H new ATOM 0 HB THR A 12 6.032 -6.810 5.188 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.227 -7.398 2.596 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.725 -6.624 4.340 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.341 -5.058 4.917 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.258 -5.392 3.171 1.00 0.00 H new ATOM 134 N PRO A 13 6.019 -3.112 4.556 1.00 0.00 N ATOM 135 CA PRO A 13 5.757 -1.963 5.428 1.00 0.00 C ATOM 136 C PRO A 13 4.780 -2.297 6.550 1.00 0.00 C ATOM 137 O PRO A 13 4.071 -3.302 6.489 1.00 0.00 O ATOM 138 CB PRO A 13 5.147 -0.929 4.478 1.00 0.00 C ATOM 139 CG PRO A 13 4.548 -1.734 3.376 1.00 0.00 C ATOM 140 CD PRO A 13 5.432 -2.940 3.217 1.00 0.00 C ATOM 0 HA PRO A 13 6.661 -1.619 5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.393 -0.325 4.982 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.905 -0.243 4.100 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.527 -2.028 3.618 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.503 -1.158 2.452 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.863 -3.818 2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.199 -2.779 2.460 1.00 0.00 H new ATOM 148 N ILE A 14 4.747 -1.449 7.572 1.00 0.00 N ATOM 149 CA ILE A 14 3.856 -1.654 8.707 1.00 0.00 C ATOM 150 C ILE A 14 2.619 -0.768 8.601 1.00 0.00 C ATOM 151 O ILE A 14 2.701 0.452 8.751 1.00 0.00 O ATOM 152 CB ILE A 14 4.568 -1.366 10.042 1.00 0.00 C ATOM 153 CG1 ILE A 14 6.064 -1.662 9.921 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.948 -2.189 11.161 1.00 0.00 C ATOM 155 CD1 ILE A 14 6.366 -3.073 9.468 1.00 0.00 C ATOM 0 H ILE A 14 5.327 -0.613 7.637 1.00 0.00 H new ATOM 0 HA ILE A 14 3.553 -2.701 8.686 1.00 0.00 H new ATOM 0 HB ILE A 14 4.444 -0.310 10.283 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.509 -0.960 9.216 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.540 -1.489 10.886 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.462 -1.975 12.098 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.893 -1.933 11.259 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.044 -3.250 10.929 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.445 -3.212 9.404 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.951 -3.782 10.184 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.920 -3.244 8.488 1.00 0.00 H new ATOM 167 N LEU A 15 1.473 -1.389 8.345 1.00 0.00 N ATOM 168 CA LEU A 15 0.217 -0.658 8.221 1.00 0.00 C ATOM 169 C LEU A 15 -0.054 0.173 9.471 1.00 0.00 C ATOM 170 O LEU A 15 0.170 -0.284 10.592 1.00 0.00 O ATOM 171 CB LEU A 15 -0.940 -1.629 7.979 1.00 0.00 C ATOM 172 CG LEU A 15 -2.155 -1.056 7.250 1.00 0.00 C ATOM 173 CD1 LEU A 15 -2.793 0.056 8.068 1.00 0.00 C ATOM 174 CD2 LEU A 15 -1.760 -0.547 5.872 1.00 0.00 C ATOM 0 H LEU A 15 1.388 -2.398 8.219 1.00 0.00 H new ATOM 0 HA LEU A 15 0.300 0.017 7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.563 -2.476 7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.269 -2.018 8.943 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.888 -1.853 7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.656 0.452 7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.113 -0.339 9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.067 0.854 8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.638 -0.143 5.368 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.008 0.236 5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.350 -1.369 5.284 1.00 0.00 H new ATOM 186 N GLN A 16 -0.539 1.394 9.270 1.00 0.00 N ATOM 187 CA GLN A 16 -0.842 2.288 10.382 1.00 0.00 C ATOM 188 C GLN A 16 -1.785 3.403 9.942 1.00 0.00 C ATOM 189 O GLN A 16 -1.487 4.150 9.009 1.00 0.00 O ATOM 190 CB GLN A 16 0.446 2.887 10.948 1.00 0.00 C ATOM 191 CG GLN A 16 1.199 1.944 11.874 1.00 0.00 C ATOM 192 CD GLN A 16 2.159 2.673 12.794 1.00 0.00 C ATOM 193 OE1 GLN A 16 1.863 2.896 13.968 1.00 0.00 O ATOM 194 NE2 GLN A 16 3.317 3.050 12.264 1.00 0.00 N ATOM 0 H GLN A 16 -0.731 1.787 8.348 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.335 1.705 11.160 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.099 3.170 10.122 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.204 3.800 11.491 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.483 1.381 12.474 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.753 1.220 11.277 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.521 2.844 11.286 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.002 3.545 12.835 1.00 0.00 H new ATOM 203 N LEU A 17 -2.922 3.511 10.619 1.00 0.00 N ATOM 204 CA LEU A 17 -3.910 4.536 10.298 1.00 0.00 C ATOM 205 C LEU A 17 -4.167 5.440 11.499 1.00 0.00 C ATOM 206 O LEU A 17 -4.599 4.977 12.554 1.00 0.00 O ATOM 207 CB LEU A 17 -5.219 3.887 9.845 1.00 0.00 C ATOM 208 CG LEU A 17 -6.340 4.846 9.443 1.00 0.00 C ATOM 209 CD1 LEU A 17 -5.763 6.126 8.858 1.00 0.00 C ATOM 210 CD2 LEU A 17 -7.281 4.180 8.450 1.00 0.00 C ATOM 0 H LEU A 17 -3.183 2.902 11.394 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.514 5.145 9.486 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.004 3.236 8.998 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.584 3.251 10.651 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.910 5.104 10.336 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.575 6.796 8.578 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.131 6.613 9.601 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.169 5.887 7.976 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.073 4.877 8.175 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.725 3.893 7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.721 3.292 8.905 1.00 0.00 H new ATOM 222 N GLU A 18 -3.899 6.731 11.330 1.00 0.00 N ATOM 223 CA GLU A 18 -4.103 7.700 12.401 1.00 0.00 C ATOM 224 C GLU A 18 -5.518 8.268 12.358 1.00 0.00 C ATOM 225 O GLU A 18 -6.221 8.285 13.368 1.00 0.00 O ATOM 226 CB GLU A 18 -3.082 8.835 12.293 1.00 0.00 C ATOM 227 CG GLU A 18 -3.165 9.838 13.431 1.00 0.00 C ATOM 228 CD GLU A 18 -3.087 9.180 14.795 1.00 0.00 C ATOM 229 OE1 GLU A 18 -2.306 8.217 14.944 1.00 0.00 O ATOM 230 OE2 GLU A 18 -3.806 9.628 15.712 1.00 0.00 O ATOM 0 H GLU A 18 -3.540 7.130 10.462 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.965 7.186 13.352 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.079 8.409 12.268 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.230 9.357 11.348 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.355 10.561 13.333 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.099 10.394 13.353 1.00 0.00 H new ATOM 334 N SER A 26 -12.103 9.922 2.846 1.00 0.00 N ATOM 335 CA SER A 26 -10.676 9.817 2.564 1.00 0.00 C ATOM 336 C SER A 26 -9.934 9.191 3.741 1.00 0.00 C ATOM 337 O SER A 26 -10.216 9.496 4.899 1.00 0.00 O ATOM 338 CB SER A 26 -10.093 11.197 2.253 1.00 0.00 C ATOM 339 OG SER A 26 -10.867 11.870 1.276 1.00 0.00 O ATOM 0 HA SER A 26 -10.549 9.173 1.694 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.055 11.793 3.165 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.068 11.090 1.899 1.00 0.00 H new ATOM 0 HG SER A 26 -11.802 11.587 1.348 1.00 0.00 H new ATOM 345 N ALA A 27 -8.983 8.315 3.434 1.00 0.00 N ATOM 346 CA ALA A 27 -8.198 7.648 4.465 1.00 0.00 C ATOM 347 C ALA A 27 -6.719 7.998 4.342 1.00 0.00 C ATOM 348 O ALA A 27 -6.080 7.697 3.333 1.00 0.00 O ATOM 349 CB ALA A 27 -8.394 6.141 4.385 1.00 0.00 C ATOM 0 H ALA A 27 -8.738 8.051 2.480 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.548 7.998 5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.802 5.655 5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.448 5.903 4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.073 5.784 3.407 1.00 0.00 H new ATOM 355 N THR A 28 -6.178 8.636 5.375 1.00 0.00 N ATOM 356 CA THR A 28 -4.775 9.029 5.382 1.00 0.00 C ATOM 357 C THR A 28 -3.911 7.972 6.061 1.00 0.00 C ATOM 358 O THR A 28 -4.062 7.705 7.254 1.00 0.00 O ATOM 359 CB THR A 28 -4.572 10.378 6.097 1.00 0.00 C ATOM 360 OG1 THR A 28 -5.464 11.358 5.556 1.00 0.00 O ATOM 361 CG2 THR A 28 -3.136 10.857 5.952 1.00 0.00 C ATOM 0 H THR A 28 -6.691 8.892 6.219 1.00 0.00 H new ATOM 0 HA THR A 28 -4.470 9.129 4.340 1.00 0.00 H new ATOM 0 HB THR A 28 -4.786 10.238 7.157 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.035 11.809 4.799 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.017 11.811 6.465 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.461 10.122 6.391 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.899 10.981 4.895 1.00 0.00 H new ATOM 369 N LEU A 29 -3.006 7.373 5.295 1.00 0.00 N ATOM 370 CA LEU A 29 -2.116 6.345 5.823 1.00 0.00 C ATOM 371 C LEU A 29 -0.676 6.843 5.871 1.00 0.00 C ATOM 372 O LEU A 29 -0.257 7.643 5.035 1.00 0.00 O ATOM 373 CB LEU A 29 -2.203 5.079 4.968 1.00 0.00 C ATOM 374 CG LEU A 29 -3.600 4.486 4.786 1.00 0.00 C ATOM 375 CD1 LEU A 29 -3.513 3.000 4.476 1.00 0.00 C ATOM 376 CD2 LEU A 29 -4.447 4.725 6.028 1.00 0.00 C ATOM 0 H LEU A 29 -2.869 7.582 4.306 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.433 6.112 6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.794 5.302 3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.563 4.318 5.415 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.078 4.985 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.517 2.595 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.944 2.853 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.015 2.485 5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.438 4.296 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.972 4.254 6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.538 5.797 6.206 1.00 0.00 H new ATOM 388 N SER A 30 0.079 6.362 6.854 1.00 0.00 N ATOM 389 CA SER A 30 1.473 6.760 7.012 1.00 0.00 C ATOM 390 C SER A 30 2.368 5.539 7.204 1.00 0.00 C ATOM 391 O SER A 30 3.359 5.591 7.933 1.00 0.00 O ATOM 392 CB SER A 30 1.623 7.709 8.202 1.00 0.00 C ATOM 393 OG SER A 30 2.794 8.498 8.081 1.00 0.00 O ATOM 0 H SER A 30 -0.251 5.696 7.553 1.00 0.00 H new ATOM 0 HA SER A 30 1.783 7.277 6.104 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.749 8.357 8.267 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.662 7.134 9.127 1.00 0.00 H new ATOM 0 HG SER A 30 3.566 7.915 7.924 1.00 0.00 H new ATOM 399 N TRP A 31 2.011 4.443 6.546 1.00 0.00 N ATOM 400 CA TRP A 31 2.781 3.208 6.644 1.00 0.00 C ATOM 401 C TRP A 31 4.272 3.504 6.762 1.00 0.00 C ATOM 402 O TRP A 31 4.800 4.370 6.065 1.00 0.00 O ATOM 403 CB TRP A 31 2.519 2.321 5.425 1.00 0.00 C ATOM 404 CG TRP A 31 3.006 2.920 4.140 1.00 0.00 C ATOM 405 CD1 TRP A 31 4.212 2.698 3.538 1.00 0.00 C ATOM 406 CD2 TRP A 31 2.299 3.839 3.301 1.00 0.00 C ATOM 407 NE1 TRP A 31 4.296 3.425 2.375 1.00 0.00 N ATOM 408 CE2 TRP A 31 3.136 4.132 2.206 1.00 0.00 C ATOM 409 CE3 TRP A 31 1.040 4.442 3.366 1.00 0.00 C ATOM 410 CZ2 TRP A 31 2.752 5.002 1.189 1.00 0.00 C ATOM 411 CZ3 TRP A 31 0.661 5.304 2.356 1.00 0.00 C ATOM 412 CH2 TRP A 31 1.514 5.578 1.278 1.00 0.00 C ATOM 0 H TRP A 31 1.194 4.384 5.939 1.00 0.00 H new ATOM 0 HA TRP A 31 2.462 2.681 7.543 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.004 1.357 5.575 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.449 2.130 5.346 1.00 0.00 H new ATOM 0 HD1 TRP A 31 4.985 2.047 3.920 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.094 3.436 1.740 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.375 4.237 4.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.409 5.215 0.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -0.310 5.775 2.397 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.188 6.256 0.503 1.00 0.00 H new ATOM 423 N LYS A 32 4.946 2.779 7.648 1.00 0.00 N ATOM 424 CA LYS A 32 6.378 2.963 7.857 1.00 0.00 C ATOM 425 C LYS A 32 7.137 1.667 7.592 1.00 0.00 C ATOM 426 O LYS A 32 6.542 0.653 7.228 1.00 0.00 O ATOM 427 CB LYS A 32 6.648 3.442 9.285 1.00 0.00 C ATOM 428 CG LYS A 32 6.288 2.419 10.348 1.00 0.00 C ATOM 429 CD LYS A 32 7.125 2.601 11.603 1.00 0.00 C ATOM 430 CE LYS A 32 7.292 1.291 12.357 1.00 0.00 C ATOM 431 NZ LYS A 32 8.129 1.455 13.577 1.00 0.00 N ATOM 0 H LYS A 32 4.524 2.058 8.233 1.00 0.00 H new ATOM 0 HA LYS A 32 6.729 3.719 7.154 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.704 3.697 9.380 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.082 4.356 9.466 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.231 2.510 10.598 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.437 1.414 9.953 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.105 2.994 11.334 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.653 3.338 12.253 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.312 0.907 12.638 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.748 0.550 11.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.218 0.540 14.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.073 1.797 13.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.681 2.143 14.216 1.00 0.00 H new ATOM 445 N GLN A 33 8.452 1.708 7.778 1.00 0.00 N ATOM 446 CA GLN A 33 9.291 0.536 7.560 1.00 0.00 C ATOM 447 C GLN A 33 9.642 -0.137 8.883 1.00 0.00 C ATOM 448 O GLN A 33 9.753 0.508 9.925 1.00 0.00 O ATOM 449 CB GLN A 33 10.571 0.929 6.819 1.00 0.00 C ATOM 450 CG GLN A 33 10.419 0.939 5.307 1.00 0.00 C ATOM 451 CD GLN A 33 10.747 -0.401 4.678 1.00 0.00 C ATOM 452 OE1 GLN A 33 11.662 -1.098 5.117 1.00 0.00 O ATOM 453 NE2 GLN A 33 10.000 -0.769 3.644 1.00 0.00 N ATOM 0 H GLN A 33 8.959 2.540 8.079 1.00 0.00 H new ATOM 0 HA GLN A 33 8.730 -0.172 6.951 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.884 1.919 7.151 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.366 0.235 7.091 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.396 1.216 5.050 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.072 1.703 4.885 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.252 -0.160 3.313 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.174 -1.661 3.181 1.00 0.00 H new ATOM 462 N PRO A 34 9.819 -1.466 8.843 1.00 0.00 N ATOM 463 CA PRO A 34 10.160 -2.255 10.030 1.00 0.00 C ATOM 464 C PRO A 34 11.578 -1.982 10.521 1.00 0.00 C ATOM 465 O PRO A 34 12.521 -1.873 9.737 1.00 0.00 O ATOM 466 CB PRO A 34 10.032 -3.701 9.543 1.00 0.00 C ATOM 467 CG PRO A 34 10.257 -3.627 8.073 1.00 0.00 C ATOM 468 CD PRO A 34 9.702 -2.300 7.635 1.00 0.00 C ATOM 0 HA PRO A 34 9.516 -2.017 10.876 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.766 -4.347 10.024 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.048 -4.110 9.773 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.318 -3.703 7.836 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.756 -4.448 7.560 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.268 -1.883 6.802 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.667 -2.387 7.305 1.00 0.00 H new ATOM 476 N PRO A 35 11.734 -1.869 11.848 1.00 0.00 N ATOM 477 CA PRO A 35 13.034 -1.608 12.473 1.00 0.00 C ATOM 478 C PRO A 35 13.979 -2.800 12.364 1.00 0.00 C ATOM 479 O PRO A 35 15.163 -2.698 12.688 1.00 0.00 O ATOM 480 CB PRO A 35 12.677 -1.340 13.937 1.00 0.00 C ATOM 481 CG PRO A 35 11.390 -2.060 14.150 1.00 0.00 C ATOM 482 CD PRO A 35 10.653 -1.988 12.841 1.00 0.00 C ATOM 0 HA PRO A 35 13.560 -0.784 11.991 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.453 -1.709 14.608 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.570 -0.272 14.130 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.566 -3.095 14.442 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.812 -1.597 14.949 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.047 -2.878 12.671 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.979 -1.132 12.806 1.00 0.00 H new ATOM 490 N LEU A 36 13.449 -3.929 11.907 1.00 0.00 N ATOM 491 CA LEU A 36 14.246 -5.142 11.755 1.00 0.00 C ATOM 492 C LEU A 36 14.496 -5.448 10.282 1.00 0.00 C ATOM 493 O LEU A 36 14.586 -6.610 9.886 1.00 0.00 O ATOM 494 CB LEU A 36 13.542 -6.325 12.421 1.00 0.00 C ATOM 495 CG LEU A 36 13.410 -6.257 13.943 1.00 0.00 C ATOM 496 CD1 LEU A 36 12.106 -5.579 14.336 1.00 0.00 C ATOM 497 CD2 LEU A 36 13.492 -7.651 14.548 1.00 0.00 C ATOM 0 H LEU A 36 12.471 -4.030 11.635 1.00 0.00 H new ATOM 0 HA LEU A 36 15.208 -4.979 12.241 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.543 -6.415 11.993 1.00 0.00 H new ATOM 0 HB3 LEU A 36 14.083 -7.236 12.164 1.00 0.00 H new ATOM 0 HG LEU A 36 14.236 -5.664 14.334 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.029 -5.540 15.423 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.087 -4.566 13.934 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.266 -6.145 13.933 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.396 -7.584 15.632 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.686 -8.268 14.150 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.452 -8.101 14.296 1.00 0.00 H new ATOM 509 N SER A 37 14.610 -4.397 9.476 1.00 0.00 N ATOM 510 CA SER A 37 14.849 -4.554 8.046 1.00 0.00 C ATOM 511 C SER A 37 16.175 -3.915 7.643 1.00 0.00 C ATOM 512 O SER A 37 16.649 -2.980 8.288 1.00 0.00 O ATOM 513 CB SER A 37 13.705 -3.929 7.245 1.00 0.00 C ATOM 514 OG SER A 37 14.158 -3.466 5.984 1.00 0.00 O ATOM 0 H SER A 37 14.541 -3.429 9.789 1.00 0.00 H new ATOM 0 HA SER A 37 14.898 -5.620 7.826 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.913 -4.664 7.103 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.274 -3.100 7.807 1.00 0.00 H new ATOM 0 HG SER A 37 13.408 -3.073 5.491 1.00 0.00 H new ATOM 520 N THR A 38 16.770 -4.428 6.570 1.00 0.00 N ATOM 521 CA THR A 38 18.041 -3.910 6.081 1.00 0.00 C ATOM 522 C THR A 38 18.004 -3.699 4.572 1.00 0.00 C ATOM 523 O THR A 38 19.034 -3.452 3.944 1.00 0.00 O ATOM 524 CB THR A 38 19.205 -4.858 6.427 1.00 0.00 C ATOM 525 OG1 THR A 38 19.161 -5.200 7.817 1.00 0.00 O ATOM 526 CG2 THR A 38 20.543 -4.214 6.099 1.00 0.00 C ATOM 0 H THR A 38 16.391 -5.202 6.024 1.00 0.00 H new ATOM 0 HA THR A 38 18.203 -2.952 6.576 1.00 0.00 H new ATOM 0 HB THR A 38 19.099 -5.762 5.828 1.00 0.00 H new ATOM 0 HG1 THR A 38 19.903 -5.804 8.029 1.00 0.00 H new ATOM 0 HG21 THR A 38 21.350 -4.902 6.352 1.00 0.00 H new ATOM 0 HG22 THR A 38 20.584 -3.982 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 38 20.656 -3.296 6.675 1.00 0.00 H new ATOM 534 N VAL A 39 16.811 -3.797 3.994 1.00 0.00 N ATOM 535 CA VAL A 39 16.640 -3.614 2.557 1.00 0.00 C ATOM 536 C VAL A 39 15.907 -2.313 2.252 1.00 0.00 C ATOM 537 O VAL A 39 14.720 -2.158 2.540 1.00 0.00 O ATOM 538 CB VAL A 39 15.863 -4.788 1.931 1.00 0.00 C ATOM 539 CG1 VAL A 39 16.148 -4.882 0.440 1.00 0.00 C ATOM 540 CG2 VAL A 39 16.212 -6.092 2.633 1.00 0.00 C ATOM 0 H VAL A 39 15.949 -4.002 4.499 1.00 0.00 H new ATOM 0 HA VAL A 39 17.638 -3.575 2.121 1.00 0.00 H new ATOM 0 HB VAL A 39 14.796 -4.606 2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.591 -5.717 0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.843 -3.956 -0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 39 17.215 -5.040 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.654 -6.911 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 39 17.281 -6.283 2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.951 -6.018 3.689 1.00 0.00 H new ATOM 550 N PRO A 40 16.629 -1.354 1.654 1.00 0.00 N ATOM 551 CA PRO A 40 16.067 -0.048 1.295 1.00 0.00 C ATOM 552 C PRO A 40 15.064 -0.143 0.151 1.00 0.00 C ATOM 553 O PRO A 40 15.337 -0.763 -0.877 1.00 0.00 O ATOM 554 CB PRO A 40 17.294 0.760 0.865 1.00 0.00 C ATOM 555 CG PRO A 40 18.282 -0.261 0.418 1.00 0.00 C ATOM 556 CD PRO A 40 18.048 -1.470 1.282 1.00 0.00 C ATOM 0 HA PRO A 40 15.514 0.398 2.121 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.049 1.453 0.060 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.685 1.355 1.690 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.144 -0.502 -0.636 1.00 0.00 H new ATOM 0 HG3 PRO A 40 19.302 0.107 0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.247 -2.395 0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 40 18.695 -1.468 2.159 1.00 0.00 H new ATOM 564 N ALA A 41 13.902 0.475 0.335 1.00 0.00 N ATOM 565 CA ALA A 41 12.859 0.462 -0.683 1.00 0.00 C ATOM 566 C ALA A 41 12.877 1.747 -1.504 1.00 0.00 C ATOM 567 O ALA A 41 13.197 2.819 -0.990 1.00 0.00 O ATOM 568 CB ALA A 41 11.495 0.263 -0.039 1.00 0.00 C ATOM 0 H ALA A 41 13.659 0.991 1.180 1.00 0.00 H new ATOM 0 HA ALA A 41 13.055 -0.372 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.726 0.255 -0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.481 -0.686 0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.300 1.077 0.659 1.00 0.00 H new ATOM 574 N ASP A 42 12.533 1.632 -2.782 1.00 0.00 N ATOM 575 CA ASP A 42 12.509 2.785 -3.674 1.00 0.00 C ATOM 576 C ASP A 42 11.145 3.467 -3.645 1.00 0.00 C ATOM 577 O ASP A 42 11.049 4.690 -3.733 1.00 0.00 O ATOM 578 CB ASP A 42 12.849 2.358 -5.103 1.00 0.00 C ATOM 579 CG ASP A 42 14.344 2.299 -5.349 1.00 0.00 C ATOM 580 OD1 ASP A 42 14.964 1.276 -4.990 1.00 0.00 O ATOM 581 OD2 ASP A 42 14.894 3.275 -5.901 1.00 0.00 O ATOM 0 H ASP A 42 12.267 0.752 -3.223 1.00 0.00 H new ATOM 0 HA ASP A 42 13.258 3.497 -3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.412 1.379 -5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.395 3.057 -5.806 1.00 0.00 H new ATOM 586 N GLY A 43 10.091 2.666 -3.521 1.00 0.00 N ATOM 587 CA GLY A 43 8.746 3.210 -3.483 1.00 0.00 C ATOM 588 C GLY A 43 7.739 2.228 -2.918 1.00 0.00 C ATOM 589 O GLY A 43 8.092 1.104 -2.559 1.00 0.00 O ATOM 0 H GLY A 43 10.145 1.650 -3.446 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.742 4.118 -2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.444 3.496 -4.491 1.00 0.00 H new ATOM 593 N TYR A 44 6.483 2.652 -2.837 1.00 0.00 N ATOM 594 CA TYR A 44 5.422 1.803 -2.307 1.00 0.00 C ATOM 595 C TYR A 44 4.206 1.813 -3.228 1.00 0.00 C ATOM 596 O TYR A 44 4.085 2.668 -4.106 1.00 0.00 O ATOM 597 CB TYR A 44 5.020 2.268 -0.907 1.00 0.00 C ATOM 598 CG TYR A 44 6.181 2.361 0.057 1.00 0.00 C ATOM 599 CD1 TYR A 44 7.138 3.360 -0.071 1.00 0.00 C ATOM 600 CD2 TYR A 44 6.320 1.450 1.098 1.00 0.00 C ATOM 601 CE1 TYR A 44 8.201 3.447 0.807 1.00 0.00 C ATOM 602 CE2 TYR A 44 7.378 1.531 1.981 1.00 0.00 C ATOM 603 CZ TYR A 44 8.317 2.531 1.832 1.00 0.00 C ATOM 604 OH TYR A 44 9.373 2.616 2.710 1.00 0.00 O ATOM 0 H TYR A 44 6.174 3.578 -3.131 1.00 0.00 H new ATOM 0 HA TYR A 44 5.802 0.783 -2.248 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.541 3.244 -0.981 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.278 1.579 -0.504 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.049 4.081 -0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.588 0.665 1.218 1.00 0.00 H new ATOM 0 HE1 TYR A 44 8.938 4.228 0.692 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.470 0.815 2.784 1.00 0.00 H new ATOM 0 HH TYR A 44 9.649 3.552 2.800 1.00 0.00 H new ATOM 614 N ILE A 45 3.307 0.857 -3.020 1.00 0.00 N ATOM 615 CA ILE A 45 2.099 0.755 -3.828 1.00 0.00 C ATOM 616 C ILE A 45 0.888 0.408 -2.968 1.00 0.00 C ATOM 617 O ILE A 45 0.884 -0.602 -2.263 1.00 0.00 O ATOM 618 CB ILE A 45 2.249 -0.305 -4.935 1.00 0.00 C ATOM 619 CG1 ILE A 45 3.410 0.057 -5.864 1.00 0.00 C ATOM 620 CG2 ILE A 45 0.954 -0.436 -5.723 1.00 0.00 C ATOM 621 CD1 ILE A 45 3.858 -1.087 -6.746 1.00 0.00 C ATOM 0 H ILE A 45 3.393 0.142 -2.298 1.00 0.00 H new ATOM 0 HA ILE A 45 1.946 1.731 -4.289 1.00 0.00 H new ATOM 0 HB ILE A 45 2.467 -1.266 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.113 0.896 -6.494 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.254 0.394 -5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.076 -1.189 -6.502 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.149 -0.735 -5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.708 0.522 -6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.683 -0.758 -7.377 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.187 -1.919 -6.124 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.027 -1.409 -7.374 1.00 0.00 H new ATOM 633 N LEU A 46 -0.137 1.250 -3.032 1.00 0.00 N ATOM 634 CA LEU A 46 -1.355 1.031 -2.260 1.00 0.00 C ATOM 635 C LEU A 46 -2.416 0.331 -3.103 1.00 0.00 C ATOM 636 O LEU A 46 -2.422 0.444 -4.328 1.00 0.00 O ATOM 637 CB LEU A 46 -1.899 2.363 -1.739 1.00 0.00 C ATOM 638 CG LEU A 46 -1.374 2.815 -0.376 1.00 0.00 C ATOM 639 CD1 LEU A 46 -1.704 4.280 -0.136 1.00 0.00 C ATOM 640 CD2 LEU A 46 -1.952 1.948 0.733 1.00 0.00 C ATOM 0 H LEU A 46 -0.149 2.090 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.108 0.390 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.668 3.138 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.985 2.292 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.290 2.702 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.323 4.584 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.241 4.889 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.785 4.418 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.567 2.284 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.039 2.028 0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.664 0.909 0.570 1.00 0.00 H new ATOM 652 N GLU A 47 -3.314 -0.389 -2.438 1.00 0.00 N ATOM 653 CA GLU A 47 -4.380 -1.106 -3.127 1.00 0.00 C ATOM 654 C GLU A 47 -5.655 -1.121 -2.289 1.00 0.00 C ATOM 655 O GLU A 47 -5.615 -1.350 -1.080 1.00 0.00 O ATOM 656 CB GLU A 47 -3.944 -2.539 -3.438 1.00 0.00 C ATOM 657 CG GLU A 47 -3.074 -2.655 -4.678 1.00 0.00 C ATOM 658 CD GLU A 47 -3.883 -2.891 -5.938 1.00 0.00 C ATOM 659 OE1 GLU A 47 -5.041 -3.347 -5.823 1.00 0.00 O ATOM 660 OE2 GLU A 47 -3.361 -2.620 -7.040 1.00 0.00 O ATOM 0 H GLU A 47 -3.324 -0.491 -1.423 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.586 -0.586 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.398 -2.937 -2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.831 -3.160 -3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.488 -1.743 -4.793 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.367 -3.474 -4.546 1.00 0.00 H new ATOM 667 N LEU A 48 -6.787 -0.875 -2.941 1.00 0.00 N ATOM 668 CA LEU A 48 -8.075 -0.859 -2.257 1.00 0.00 C ATOM 669 C LEU A 48 -9.196 -1.293 -3.197 1.00 0.00 C ATOM 670 O LEU A 48 -9.117 -1.089 -4.408 1.00 0.00 O ATOM 671 CB LEU A 48 -8.367 0.538 -1.707 1.00 0.00 C ATOM 672 CG LEU A 48 -9.679 0.697 -0.938 1.00 0.00 C ATOM 673 CD1 LEU A 48 -9.691 -0.203 0.287 1.00 0.00 C ATOM 674 CD2 LEU A 48 -9.889 2.150 -0.537 1.00 0.00 C ATOM 0 H LEU A 48 -6.838 -0.684 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.027 -1.565 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.547 0.826 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.370 1.241 -2.540 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.500 0.399 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.632 -0.077 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.587 -1.242 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.862 0.064 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.827 2.245 0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.065 2.475 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.925 2.773 -1.431 1.00 0.00 H new ATOM 686 N ASP A 49 -10.239 -1.889 -2.630 1.00 0.00 N ATOM 687 CA ASP A 49 -11.378 -2.348 -3.417 1.00 0.00 C ATOM 688 C ASP A 49 -12.480 -1.293 -3.444 1.00 0.00 C ATOM 689 O ASP A 49 -12.397 -0.276 -2.755 1.00 0.00 O ATOM 690 CB ASP A 49 -11.923 -3.659 -2.848 1.00 0.00 C ATOM 691 CG ASP A 49 -12.927 -4.318 -3.773 1.00 0.00 C ATOM 692 OD1 ASP A 49 -12.764 -4.200 -5.005 1.00 0.00 O ATOM 693 OD2 ASP A 49 -13.876 -4.952 -3.265 1.00 0.00 O ATOM 0 H ASP A 49 -10.320 -2.066 -1.629 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.038 -2.518 -4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.095 -4.345 -2.667 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.394 -3.466 -1.884 1.00 0.00 H new ATOM 698 N ASP A 50 -13.510 -1.542 -4.245 1.00 0.00 N ATOM 699 CA ASP A 50 -14.629 -0.615 -4.362 1.00 0.00 C ATOM 700 C ASP A 50 -15.723 -0.952 -3.353 1.00 0.00 C ATOM 701 O ASP A 50 -16.909 -0.933 -3.679 1.00 0.00 O ATOM 702 CB ASP A 50 -15.199 -0.646 -5.781 1.00 0.00 C ATOM 703 CG ASP A 50 -15.734 -2.014 -6.159 1.00 0.00 C ATOM 704 OD1 ASP A 50 -15.066 -3.021 -5.842 1.00 0.00 O ATOM 705 OD2 ASP A 50 -16.820 -2.077 -6.772 1.00 0.00 O ATOM 0 H ASP A 50 -13.593 -2.378 -4.823 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.261 0.388 -4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.999 0.090 -5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.422 -0.354 -6.488 1.00 0.00 H new ATOM 710 N GLY A 51 -15.314 -1.262 -2.126 1.00 0.00 N ATOM 711 CA GLY A 51 -16.271 -1.601 -1.089 1.00 0.00 C ATOM 712 C GLY A 51 -17.238 -2.684 -1.524 1.00 0.00 C ATOM 713 O GLY A 51 -18.365 -2.753 -1.035 1.00 0.00 O ATOM 0 H GLY A 51 -14.338 -1.284 -1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.736 -1.932 -0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.831 -0.709 -0.810 1.00 0.00 H new ATOM 717 N ASN A 52 -16.798 -3.532 -2.448 1.00 0.00 N ATOM 718 CA ASN A 52 -17.634 -4.616 -2.951 1.00 0.00 C ATOM 719 C ASN A 52 -17.239 -5.946 -2.316 1.00 0.00 C ATOM 720 O ASN A 52 -18.079 -6.821 -2.111 1.00 0.00 O ATOM 721 CB ASN A 52 -17.520 -4.712 -4.474 1.00 0.00 C ATOM 722 CG ASN A 52 -18.226 -5.933 -5.031 1.00 0.00 C ATOM 723 OD1 ASN A 52 -19.400 -6.169 -4.746 1.00 0.00 O ATOM 724 ND2 ASN A 52 -17.511 -6.716 -5.830 1.00 0.00 N ATOM 0 H ASN A 52 -15.867 -3.489 -2.864 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.668 -4.398 -2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.943 -3.814 -4.925 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -16.467 -4.744 -4.755 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.932 -7.552 -6.235 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.541 -6.481 -6.039 1.00 0.00 H new ATOM 731 N GLY A 53 -15.955 -6.090 -2.006 1.00 0.00 N ATOM 732 CA GLY A 53 -15.471 -7.315 -1.397 1.00 0.00 C ATOM 733 C GLY A 53 -14.885 -8.276 -2.413 1.00 0.00 C ATOM 734 O GLY A 53 -15.016 -9.491 -2.275 1.00 0.00 O ATOM 0 H GLY A 53 -15.240 -5.380 -2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.713 -7.072 -0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.291 -7.804 -0.870 1.00 0.00 H new ATOM 738 N GLY A 54 -14.239 -7.729 -3.438 1.00 0.00 N ATOM 739 CA GLY A 54 -13.642 -8.560 -4.467 1.00 0.00 C ATOM 740 C GLY A 54 -12.144 -8.356 -4.582 1.00 0.00 C ATOM 741 O GLY A 54 -11.423 -8.442 -3.588 1.00 0.00 O ATOM 0 H GLY A 54 -14.118 -6.725 -3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.847 -9.608 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.110 -8.338 -5.426 1.00 0.00 H new ATOM 745 N GLN A 55 -11.677 -8.086 -5.796 1.00 0.00 N ATOM 746 CA GLN A 55 -10.254 -7.871 -6.036 1.00 0.00 C ATOM 747 C GLN A 55 -9.851 -6.444 -5.680 1.00 0.00 C ATOM 748 O GLN A 55 -10.698 -5.557 -5.576 1.00 0.00 O ATOM 749 CB GLN A 55 -9.913 -8.160 -7.499 1.00 0.00 C ATOM 750 CG GLN A 55 -10.427 -7.103 -8.463 1.00 0.00 C ATOM 751 CD GLN A 55 -9.676 -7.101 -9.780 1.00 0.00 C ATOM 752 OE1 GLN A 55 -8.497 -7.452 -9.837 1.00 0.00 O ATOM 753 NE2 GLN A 55 -10.357 -6.703 -10.849 1.00 0.00 N ATOM 0 H GLN A 55 -12.262 -8.011 -6.628 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.696 -8.556 -5.398 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.831 -8.239 -7.603 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.331 -9.127 -7.777 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.486 -7.274 -8.653 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.341 -6.121 -7.999 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.333 -6.421 -10.756 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.904 -6.680 -11.763 1.00 0.00 H new ATOM 762 N PHE A 56 -8.553 -6.231 -5.492 1.00 0.00 N ATOM 763 CA PHE A 56 -8.037 -4.912 -5.146 1.00 0.00 C ATOM 764 C PHE A 56 -7.390 -4.246 -6.356 1.00 0.00 C ATOM 765 O PHE A 56 -6.900 -4.921 -7.261 1.00 0.00 O ATOM 766 CB PHE A 56 -7.022 -5.021 -4.006 1.00 0.00 C ATOM 767 CG PHE A 56 -7.573 -5.679 -2.773 1.00 0.00 C ATOM 768 CD1 PHE A 56 -8.005 -6.995 -2.809 1.00 0.00 C ATOM 769 CD2 PHE A 56 -7.661 -4.981 -1.580 1.00 0.00 C ATOM 770 CE1 PHE A 56 -8.512 -7.604 -1.676 1.00 0.00 C ATOM 771 CE2 PHE A 56 -8.167 -5.585 -0.444 1.00 0.00 C ATOM 772 CZ PHE A 56 -8.594 -6.897 -0.493 1.00 0.00 C ATOM 0 H PHE A 56 -7.839 -6.955 -5.573 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.875 -4.296 -4.820 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.157 -5.586 -4.353 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.669 -4.023 -3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.945 -7.551 -3.733 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.331 -3.954 -1.537 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.843 -8.631 -1.716 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.228 -5.031 0.481 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.992 -7.370 0.393 1.00 0.00 H new ATOM 782 N ARG A 57 -7.393 -2.917 -6.365 1.00 0.00 N ATOM 783 CA ARG A 57 -6.808 -2.158 -7.465 1.00 0.00 C ATOM 784 C ARG A 57 -5.874 -1.072 -6.939 1.00 0.00 C ATOM 785 O ARG A 57 -6.080 -0.537 -5.851 1.00 0.00 O ATOM 786 CB ARG A 57 -7.909 -1.529 -8.321 1.00 0.00 C ATOM 787 CG ARG A 57 -8.461 -0.234 -7.747 1.00 0.00 C ATOM 788 CD ARG A 57 -9.887 0.017 -8.211 1.00 0.00 C ATOM 789 NE ARG A 57 -10.193 1.443 -8.295 1.00 0.00 N ATOM 790 CZ ARG A 57 -9.642 2.261 -9.185 1.00 0.00 C ATOM 791 NH1 ARG A 57 -8.764 1.798 -10.062 1.00 0.00 N ATOM 792 NH2 ARG A 57 -9.971 3.547 -9.198 1.00 0.00 N ATOM 0 H ARG A 57 -7.794 -2.343 -5.623 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.228 -2.846 -8.080 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.516 -1.336 -9.319 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.724 -2.244 -8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.434 -0.276 -6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.827 0.599 -8.050 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.037 -0.444 -9.187 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.582 -0.463 -7.522 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.866 1.832 -7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.509 0.810 -10.055 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.343 2.429 -10.744 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.647 3.907 -8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.548 4.175 -9.881 1.00 0.00 H new ATOM 806 N GLU A 58 -4.847 -0.753 -7.721 1.00 0.00 N ATOM 807 CA GLU A 58 -3.881 0.268 -7.333 1.00 0.00 C ATOM 808 C GLU A 58 -4.570 1.611 -7.107 1.00 0.00 C ATOM 809 O GLU A 58 -5.457 2.002 -7.866 1.00 0.00 O ATOM 810 CB GLU A 58 -2.800 0.412 -8.406 1.00 0.00 C ATOM 811 CG GLU A 58 -1.752 -0.688 -8.365 1.00 0.00 C ATOM 812 CD GLU A 58 -2.142 -1.895 -9.197 1.00 0.00 C ATOM 813 OE1 GLU A 58 -2.928 -1.728 -10.152 1.00 0.00 O ATOM 814 OE2 GLU A 58 -1.661 -3.007 -8.892 1.00 0.00 O ATOM 0 H GLU A 58 -4.663 -1.186 -8.626 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.416 -0.045 -6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.273 0.415 -9.388 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.307 1.377 -8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.802 -0.294 -8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.596 -0.998 -7.332 1.00 0.00 H new ATOM 821 N VAL A 59 -4.156 2.312 -6.057 1.00 0.00 N ATOM 822 CA VAL A 59 -4.731 3.611 -5.730 1.00 0.00 C ATOM 823 C VAL A 59 -3.649 4.679 -5.614 1.00 0.00 C ATOM 824 O VAL A 59 -3.904 5.863 -5.833 1.00 0.00 O ATOM 825 CB VAL A 59 -5.527 3.557 -4.412 1.00 0.00 C ATOM 826 CG1 VAL A 59 -6.702 2.599 -4.536 1.00 0.00 C ATOM 827 CG2 VAL A 59 -4.620 3.154 -3.259 1.00 0.00 C ATOM 0 H VAL A 59 -3.424 2.002 -5.418 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.407 3.871 -6.544 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.921 4.552 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.252 2.574 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.363 2.936 -5.334 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.334 1.600 -4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.198 3.121 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.195 2.170 -3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.815 3.882 -3.157 1.00 0.00 H new ATOM 837 N TYR A 60 -2.440 4.252 -5.268 1.00 0.00 N ATOM 838 CA TYR A 60 -1.318 5.171 -5.121 1.00 0.00 C ATOM 839 C TYR A 60 0.003 4.472 -5.427 1.00 0.00 C ATOM 840 O TYR A 60 0.163 3.279 -5.168 1.00 0.00 O ATOM 841 CB TYR A 60 -1.286 5.747 -3.704 1.00 0.00 C ATOM 842 CG TYR A 60 0.110 6.028 -3.196 1.00 0.00 C ATOM 843 CD1 TYR A 60 0.882 5.019 -2.632 1.00 0.00 C ATOM 844 CD2 TYR A 60 0.658 7.302 -3.278 1.00 0.00 C ATOM 845 CE1 TYR A 60 2.158 5.271 -2.166 1.00 0.00 C ATOM 846 CE2 TYR A 60 1.933 7.563 -2.816 1.00 0.00 C ATOM 847 CZ TYR A 60 2.679 6.544 -2.261 1.00 0.00 C ATOM 848 OH TYR A 60 3.949 6.800 -1.798 1.00 0.00 O ATOM 0 H TYR A 60 -2.212 3.275 -5.084 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.452 5.984 -5.834 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.864 6.671 -3.683 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.777 5.049 -3.026 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.477 4.021 -2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.077 8.103 -3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.744 4.475 -1.730 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.344 8.559 -2.889 1.00 0.00 H new ATOM 0 HH TYR A 60 3.967 6.703 -0.823 1.00 0.00 H new ATOM 858 N VAL A 61 0.948 5.224 -5.982 1.00 0.00 N ATOM 859 CA VAL A 61 2.257 4.680 -6.324 1.00 0.00 C ATOM 860 C VAL A 61 3.311 5.779 -6.383 1.00 0.00 C ATOM 861 O VAL A 61 3.182 6.737 -7.144 1.00 0.00 O ATOM 862 CB VAL A 61 2.223 3.942 -7.676 1.00 0.00 C ATOM 863 CG1 VAL A 61 3.606 3.423 -8.036 1.00 0.00 C ATOM 864 CG2 VAL A 61 1.211 2.807 -7.637 1.00 0.00 C ATOM 0 H VAL A 61 0.831 6.213 -6.205 1.00 0.00 H new ATOM 0 HA VAL A 61 2.520 3.971 -5.539 1.00 0.00 H new ATOM 0 HB VAL A 61 1.914 4.647 -8.448 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.562 2.905 -8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.301 4.259 -8.107 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.947 2.732 -7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.200 2.296 -8.600 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.487 2.100 -6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.220 3.210 -7.429 1.00 0.00 H new ATOM 874 N GLY A 62 4.357 5.634 -5.574 1.00 0.00 N ATOM 875 CA GLY A 62 5.419 6.622 -5.551 1.00 0.00 C ATOM 876 C GLY A 62 6.493 6.294 -4.532 1.00 0.00 C ATOM 877 O GLY A 62 6.718 5.127 -4.209 1.00 0.00 O ATOM 0 H GLY A 62 4.487 4.850 -4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.870 6.689 -6.541 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.996 7.601 -5.326 1.00 0.00 H new ATOM 881 N LYS A 63 7.160 7.325 -4.025 1.00 0.00 N ATOM 882 CA LYS A 63 8.217 7.143 -3.038 1.00 0.00 C ATOM 883 C LYS A 63 7.945 7.975 -1.789 1.00 0.00 C ATOM 884 O LYS A 63 8.793 8.755 -1.355 1.00 0.00 O ATOM 885 CB LYS A 63 9.573 7.527 -3.634 1.00 0.00 C ATOM 886 CG LYS A 63 9.709 9.011 -3.930 1.00 0.00 C ATOM 887 CD LYS A 63 10.622 9.261 -5.119 1.00 0.00 C ATOM 888 CE LYS A 63 12.042 8.796 -4.838 1.00 0.00 C ATOM 889 NZ LYS A 63 13.006 9.320 -5.845 1.00 0.00 N ATOM 0 H LYS A 63 6.987 8.297 -4.282 1.00 0.00 H new ATOM 0 HA LYS A 63 8.237 6.091 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.362 7.229 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.728 6.966 -4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.725 9.435 -4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.104 9.523 -3.053 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.233 8.739 -5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.627 10.324 -5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.342 9.125 -3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.074 7.706 -4.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.963 8.981 -5.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.735 8.986 -6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.994 10.360 -5.828 1.00 0.00 H new ATOM 903 N GLU A 64 6.758 7.804 -1.216 1.00 0.00 N ATOM 904 CA GLU A 64 6.376 8.540 -0.016 1.00 0.00 C ATOM 905 C GLU A 64 6.132 7.588 1.152 1.00 0.00 C ATOM 906 O GLU A 64 6.068 6.371 0.974 1.00 0.00 O ATOM 907 CB GLU A 64 5.120 9.372 -0.281 1.00 0.00 C ATOM 908 CG GLU A 64 5.369 10.590 -1.155 1.00 0.00 C ATOM 909 CD GLU A 64 4.392 11.716 -0.880 1.00 0.00 C ATOM 910 OE1 GLU A 64 4.676 12.545 0.010 1.00 0.00 O ATOM 911 OE2 GLU A 64 3.342 11.768 -1.555 1.00 0.00 O ATOM 0 H GLU A 64 6.045 7.163 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 64 7.197 9.207 0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.370 8.741 -0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.703 9.698 0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.385 10.948 -0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.298 10.301 -2.203 1.00 0.00 H new ATOM 918 N THR A 65 5.997 8.152 2.348 1.00 0.00 N ATOM 919 CA THR A 65 5.763 7.355 3.546 1.00 0.00 C ATOM 920 C THR A 65 4.332 7.520 4.044 1.00 0.00 C ATOM 921 O THR A 65 3.876 6.773 4.910 1.00 0.00 O ATOM 922 CB THR A 65 6.736 7.741 4.676 1.00 0.00 C ATOM 923 OG1 THR A 65 7.949 6.990 4.555 1.00 0.00 O ATOM 924 CG2 THR A 65 6.110 7.486 6.039 1.00 0.00 C ATOM 0 H THR A 65 6.046 9.157 2.513 1.00 0.00 H new ATOM 0 HA THR A 65 5.932 6.314 3.272 1.00 0.00 H new ATOM 0 HB THR A 65 6.957 8.805 4.588 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.563 7.242 5.276 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.815 7.766 6.821 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.202 8.081 6.139 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.864 6.428 6.134 1.00 0.00 H new ATOM 932 N MET A 66 3.627 8.502 3.492 1.00 0.00 N ATOM 933 CA MET A 66 2.246 8.763 3.880 1.00 0.00 C ATOM 934 C MET A 66 1.446 9.316 2.704 1.00 0.00 C ATOM 935 O MET A 66 1.841 10.303 2.082 1.00 0.00 O ATOM 936 CB MET A 66 2.200 9.747 5.051 1.00 0.00 C ATOM 937 CG MET A 66 0.890 10.512 5.150 1.00 0.00 C ATOM 938 SD MET A 66 0.930 11.796 6.416 1.00 0.00 S ATOM 939 CE MET A 66 -0.292 11.174 7.568 1.00 0.00 C ATOM 0 H MET A 66 3.989 9.130 2.775 1.00 0.00 H new ATOM 0 HA MET A 66 1.797 7.819 4.190 1.00 0.00 H new ATOM 0 HB2 MET A 66 2.364 9.201 5.980 1.00 0.00 H new ATOM 0 HB3 MET A 66 3.020 10.458 4.950 1.00 0.00 H new ATOM 0 HG2 MET A 66 0.665 10.966 4.185 1.00 0.00 H new ATOM 0 HG3 MET A 66 0.082 9.814 5.371 1.00 0.00 H new ATOM 0 HE1 MET A 66 -1.176 11.811 7.540 1.00 0.00 H new ATOM 0 HE2 MET A 66 -0.568 10.157 7.291 1.00 0.00 H new ATOM 0 HE3 MET A 66 0.124 11.175 8.576 1.00 0.00 H new ATOM 949 N CYS A 67 0.322 8.674 2.406 1.00 0.00 N ATOM 950 CA CYS A 67 -0.533 9.102 1.304 1.00 0.00 C ATOM 951 C CYS A 67 -2.003 8.863 1.632 1.00 0.00 C ATOM 952 O CYS A 67 -2.369 7.819 2.172 1.00 0.00 O ATOM 953 CB CYS A 67 -0.157 8.359 0.021 1.00 0.00 C ATOM 954 SG CYS A 67 -0.863 9.075 -1.481 1.00 0.00 S ATOM 0 H CYS A 67 -0.019 7.856 2.911 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.382 10.171 1.154 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.929 8.344 -0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.484 7.323 0.105 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.781 8.215 -2.452 1.00 0.00 H new ATOM 960 N THR A 68 -2.844 9.839 1.303 1.00 0.00 N ATOM 961 CA THR A 68 -4.274 9.737 1.565 1.00 0.00 C ATOM 962 C THR A 68 -5.047 9.439 0.285 1.00 0.00 C ATOM 963 O THR A 68 -4.669 9.883 -0.799 1.00 0.00 O ATOM 964 CB THR A 68 -4.824 11.031 2.194 1.00 0.00 C ATOM 965 OG1 THR A 68 -4.088 11.351 3.380 1.00 0.00 O ATOM 966 CG2 THR A 68 -6.300 10.884 2.531 1.00 0.00 C ATOM 0 H THR A 68 -2.559 10.709 0.854 1.00 0.00 H new ATOM 0 HA THR A 68 -4.409 8.915 2.268 1.00 0.00 H new ATOM 0 HB THR A 68 -4.712 11.837 1.469 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.192 11.664 3.135 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.666 11.810 2.974 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.861 10.670 1.621 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.432 10.066 3.239 1.00 0.00 H new ATOM 974 N VAL A 69 -6.133 8.684 0.418 1.00 0.00 N ATOM 975 CA VAL A 69 -6.962 8.328 -0.728 1.00 0.00 C ATOM 976 C VAL A 69 -8.193 9.222 -0.815 1.00 0.00 C ATOM 977 O VAL A 69 -8.699 9.701 0.201 1.00 0.00 O ATOM 978 CB VAL A 69 -7.412 6.857 -0.659 1.00 0.00 C ATOM 979 CG1 VAL A 69 -8.383 6.649 0.494 1.00 0.00 C ATOM 980 CG2 VAL A 69 -8.039 6.430 -1.977 1.00 0.00 C ATOM 0 H VAL A 69 -6.459 8.307 1.308 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.350 8.471 -1.618 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.535 6.235 -0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.690 5.604 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.896 6.914 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.260 7.280 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.351 5.388 -1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.906 7.056 -2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.309 6.540 -2.779 1.00 0.00 H new ATOM 990 N ASP A 70 -8.672 9.443 -2.034 1.00 0.00 N ATOM 991 CA ASP A 70 -9.846 10.279 -2.254 1.00 0.00 C ATOM 992 C ASP A 70 -10.924 9.513 -3.015 1.00 0.00 C ATOM 993 O ASP A 70 -10.622 8.684 -3.872 1.00 0.00 O ATOM 994 CB ASP A 70 -9.462 11.543 -3.025 1.00 0.00 C ATOM 995 CG ASP A 70 -10.592 12.058 -3.894 1.00 0.00 C ATOM 996 OD1 ASP A 70 -10.949 11.369 -4.873 1.00 0.00 O ATOM 997 OD2 ASP A 70 -11.120 13.149 -3.596 1.00 0.00 O ATOM 0 H ASP A 70 -8.265 9.055 -2.885 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.246 10.564 -1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.167 12.320 -2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.594 11.334 -3.650 1.00 0.00 H new ATOM 1002 N GLY A 71 -12.183 9.796 -2.694 1.00 0.00 N ATOM 1003 CA GLY A 71 -13.286 9.124 -3.355 1.00 0.00 C ATOM 1004 C GLY A 71 -13.616 7.788 -2.720 1.00 0.00 C ATOM 1005 O GLY A 71 -13.446 6.738 -3.341 1.00 0.00 O ATOM 0 H GLY A 71 -12.458 10.479 -1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.168 9.764 -3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.038 8.972 -4.405 1.00 0.00 H new ATOM 1009 N LEU A 72 -14.086 7.825 -1.478 1.00 0.00 N ATOM 1010 CA LEU A 72 -14.439 6.607 -0.757 1.00 0.00 C ATOM 1011 C LEU A 72 -15.940 6.549 -0.490 1.00 0.00 C ATOM 1012 O LEU A 72 -16.529 7.505 0.015 1.00 0.00 O ATOM 1013 CB LEU A 72 -13.671 6.533 0.564 1.00 0.00 C ATOM 1014 CG LEU A 72 -12.146 6.551 0.455 1.00 0.00 C ATOM 1015 CD1 LEU A 72 -11.512 6.532 1.837 1.00 0.00 C ATOM 1016 CD2 LEU A 72 -11.656 5.374 -0.375 1.00 0.00 C ATOM 0 H LEU A 72 -14.231 8.685 -0.949 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.166 5.754 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.981 7.371 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.968 5.622 1.083 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.848 7.472 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.426 6.545 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.837 7.408 2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.818 5.629 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.568 5.403 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.966 4.442 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.083 5.432 -1.376 1.00 0.00 H new ATOM 1028 N HIS A 73 -16.553 5.419 -0.829 1.00 0.00 N ATOM 1029 CA HIS A 73 -17.985 5.234 -0.622 1.00 0.00 C ATOM 1030 C HIS A 73 -18.331 5.289 0.862 1.00 0.00 C ATOM 1031 O HIS A 73 -17.448 5.400 1.713 1.00 0.00 O ATOM 1032 CB HIS A 73 -18.438 3.899 -1.215 1.00 0.00 C ATOM 1033 CG HIS A 73 -19.887 3.874 -1.594 1.00 0.00 C ATOM 1034 ND1 HIS A 73 -20.789 2.977 -1.061 1.00 0.00 N ATOM 1035 CD2 HIS A 73 -20.590 4.643 -2.457 1.00 0.00 C ATOM 1036 CE1 HIS A 73 -21.983 3.195 -1.582 1.00 0.00 C ATOM 1037 NE2 HIS A 73 -21.890 4.201 -2.432 1.00 0.00 N ATOM 0 H HIS A 73 -16.081 4.618 -1.248 1.00 0.00 H new ATOM 0 HA HIS A 73 -18.509 6.045 -1.129 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -17.836 3.679 -2.097 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -18.246 3.106 -0.492 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -20.201 5.454 -3.055 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -22.883 2.644 -1.352 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -22.658 4.587 -2.981 1.00 0.00 H new ATOM 1046 N PHE A 74 -19.623 5.212 1.167 1.00 0.00 N ATOM 1047 CA PHE A 74 -20.086 5.255 2.549 1.00 0.00 C ATOM 1048 C PHE A 74 -20.980 4.058 2.860 1.00 0.00 C ATOM 1049 O PHE A 74 -21.563 3.454 1.960 1.00 0.00 O ATOM 1050 CB PHE A 74 -20.846 6.556 2.814 1.00 0.00 C ATOM 1051 CG PHE A 74 -21.798 6.929 1.713 1.00 0.00 C ATOM 1052 CD1 PHE A 74 -21.323 7.345 0.480 1.00 0.00 C ATOM 1053 CD2 PHE A 74 -23.167 6.865 1.913 1.00 0.00 C ATOM 1054 CE1 PHE A 74 -22.196 7.689 -0.535 1.00 0.00 C ATOM 1055 CE2 PHE A 74 -24.045 7.207 0.902 1.00 0.00 C ATOM 1056 CZ PHE A 74 -23.559 7.621 -0.323 1.00 0.00 C ATOM 0 H PHE A 74 -20.367 5.120 0.476 1.00 0.00 H new ATOM 0 HA PHE A 74 -19.213 5.213 3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -21.402 6.459 3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -20.129 7.365 2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -20.258 7.401 0.310 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -23.553 6.544 2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -21.813 8.010 -1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -25.110 7.151 1.070 1.00 0.00 H new ATOM 0 HZ PHE A 74 -24.244 7.891 -1.113 1.00 0.00 H new ATOM 1066 N ASN A 75 -21.083 3.721 4.141 1.00 0.00 N ATOM 1067 CA ASN A 75 -21.905 2.596 4.573 1.00 0.00 C ATOM 1068 C ASN A 75 -21.514 1.321 3.832 1.00 0.00 C ATOM 1069 O ASN A 75 -22.356 0.662 3.223 1.00 0.00 O ATOM 1070 CB ASN A 75 -23.386 2.901 4.339 1.00 0.00 C ATOM 1071 CG ASN A 75 -23.917 3.955 5.292 1.00 0.00 C ATOM 1072 OD1 ASN A 75 -23.483 4.045 6.440 1.00 0.00 O ATOM 1073 ND2 ASN A 75 -24.861 4.760 4.817 1.00 0.00 N ATOM 0 H ASN A 75 -20.607 4.211 4.899 1.00 0.00 H new ATOM 0 HA ASN A 75 -21.736 2.442 5.639 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -23.527 3.239 3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -23.966 1.985 4.455 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -25.256 5.489 5.411 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -25.191 4.649 3.858 1.00 0.00 H new ATOM 1080 N SER A 76 -20.231 0.980 3.889 1.00 0.00 N ATOM 1081 CA SER A 76 -19.726 -0.214 3.221 1.00 0.00 C ATOM 1082 C SER A 76 -18.321 -0.555 3.706 1.00 0.00 C ATOM 1083 O SER A 76 -17.467 0.321 3.842 1.00 0.00 O ATOM 1084 CB SER A 76 -19.719 -0.011 1.704 1.00 0.00 C ATOM 1085 OG SER A 76 -21.037 -0.005 1.184 1.00 0.00 O ATOM 0 H SER A 76 -19.522 1.514 4.391 1.00 0.00 H new ATOM 0 HA SER A 76 -20.388 -1.045 3.467 1.00 0.00 H new ATOM 0 HB2 SER A 76 -19.225 0.930 1.462 1.00 0.00 H new ATOM 0 HB3 SER A 76 -19.142 -0.805 1.230 1.00 0.00 H new ATOM 0 HG SER A 76 -21.677 -0.140 1.914 1.00 0.00 H new ATOM 1091 N THR A 77 -18.088 -1.838 3.968 1.00 0.00 N ATOM 1092 CA THR A 77 -16.787 -2.297 4.440 1.00 0.00 C ATOM 1093 C THR A 77 -15.714 -2.095 3.376 1.00 0.00 C ATOM 1094 O THR A 77 -15.941 -2.353 2.194 1.00 0.00 O ATOM 1095 CB THR A 77 -16.827 -3.785 4.837 1.00 0.00 C ATOM 1096 OG1 THR A 77 -18.096 -4.102 5.420 1.00 0.00 O ATOM 1097 CG2 THR A 77 -15.714 -4.113 5.821 1.00 0.00 C ATOM 0 H THR A 77 -18.783 -2.577 3.861 1.00 0.00 H new ATOM 0 HA THR A 77 -16.540 -1.701 5.318 1.00 0.00 H new ATOM 0 HB THR A 77 -16.682 -4.383 3.937 1.00 0.00 H new ATOM 0 HG1 THR A 77 -18.114 -5.050 5.668 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.763 -5.169 6.087 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.748 -3.898 5.363 1.00 0.00 H new ATOM 0 HG23 THR A 77 -15.832 -3.507 6.719 1.00 0.00 H new ATOM 1105 N TYR A 78 -14.544 -1.634 3.804 1.00 0.00 N ATOM 1106 CA TYR A 78 -13.435 -1.396 2.887 1.00 0.00 C ATOM 1107 C TYR A 78 -12.175 -2.116 3.358 1.00 0.00 C ATOM 1108 O TYR A 78 -11.901 -2.192 4.555 1.00 0.00 O ATOM 1109 CB TYR A 78 -13.162 0.104 2.762 1.00 0.00 C ATOM 1110 CG TYR A 78 -13.922 0.765 1.634 1.00 0.00 C ATOM 1111 CD1 TYR A 78 -15.188 1.298 1.842 1.00 0.00 C ATOM 1112 CD2 TYR A 78 -13.374 0.857 0.361 1.00 0.00 C ATOM 1113 CE1 TYR A 78 -15.886 1.903 0.815 1.00 0.00 C ATOM 1114 CE2 TYR A 78 -14.064 1.461 -0.672 1.00 0.00 C ATOM 1115 CZ TYR A 78 -15.320 1.982 -0.440 1.00 0.00 C ATOM 1116 OH TYR A 78 -16.011 2.584 -1.467 1.00 0.00 O ATOM 0 H TYR A 78 -14.339 -1.418 4.779 1.00 0.00 H new ATOM 0 HA TYR A 78 -13.714 -1.791 1.910 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -13.424 0.592 3.701 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -12.094 0.259 2.609 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -15.634 1.238 2.824 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -12.391 0.449 0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -16.869 2.312 0.994 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -13.623 1.525 -1.656 1.00 0.00 H new ATOM 0 HH TYR A 78 -15.471 2.557 -2.284 1.00 0.00 H new ATOM 1126 N ASN A 79 -11.412 -2.643 2.406 1.00 0.00 N ATOM 1127 CA ASN A 79 -10.180 -3.357 2.721 1.00 0.00 C ATOM 1128 C ASN A 79 -9.019 -2.836 1.881 1.00 0.00 C ATOM 1129 O ASN A 79 -9.017 -2.965 0.657 1.00 0.00 O ATOM 1130 CB ASN A 79 -10.362 -4.858 2.485 1.00 0.00 C ATOM 1131 CG ASN A 79 -11.314 -5.489 3.482 1.00 0.00 C ATOM 1132 OD1 ASN A 79 -11.076 -5.459 4.690 1.00 0.00 O ATOM 1133 ND2 ASN A 79 -12.400 -6.066 2.980 1.00 0.00 N ATOM 0 H ASN A 79 -11.625 -2.589 1.410 1.00 0.00 H new ATOM 0 HA ASN A 79 -9.949 -3.186 3.772 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.738 -5.021 1.475 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.393 -5.353 2.549 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -13.077 -6.508 3.602 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.557 -6.067 1.972 1.00 0.00 H new ATOM 1140 N ALA A 80 -8.031 -2.246 2.548 1.00 0.00 N ATOM 1141 CA ALA A 80 -6.862 -1.708 1.863 1.00 0.00 C ATOM 1142 C ALA A 80 -5.613 -2.519 2.190 1.00 0.00 C ATOM 1143 O ALA A 80 -5.650 -3.426 3.020 1.00 0.00 O ATOM 1144 CB ALA A 80 -6.659 -0.247 2.237 1.00 0.00 C ATOM 0 H ALA A 80 -8.017 -2.129 3.561 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.036 -1.776 0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.783 0.143 1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.538 0.328 1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.510 -0.164 3.314 1.00 0.00 H new ATOM 1150 N ARG A 81 -4.508 -2.185 1.531 1.00 0.00 N ATOM 1151 CA ARG A 81 -3.247 -2.884 1.750 1.00 0.00 C ATOM 1152 C ARG A 81 -2.098 -2.165 1.050 1.00 0.00 C ATOM 1153 O ARG A 81 -2.215 -1.769 -0.110 1.00 0.00 O ATOM 1154 CB ARG A 81 -3.344 -4.325 1.246 1.00 0.00 C ATOM 1155 CG ARG A 81 -3.164 -4.458 -0.257 1.00 0.00 C ATOM 1156 CD ARG A 81 -3.753 -5.760 -0.776 1.00 0.00 C ATOM 1157 NE ARG A 81 -3.733 -6.813 0.236 1.00 0.00 N ATOM 1158 CZ ARG A 81 -4.741 -7.054 1.066 1.00 0.00 C ATOM 1159 NH1 ARG A 81 -5.846 -6.323 1.003 1.00 0.00 N ATOM 1160 NH2 ARG A 81 -4.647 -8.030 1.960 1.00 0.00 N ATOM 0 H ARG A 81 -4.460 -1.435 0.841 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.047 -2.894 2.822 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.588 -4.928 1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.315 -4.734 1.525 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.642 -3.616 -0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.103 -4.414 -0.503 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.779 -5.589 -1.101 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.192 -6.088 -1.651 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.899 -7.395 0.309 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.923 -5.573 0.316 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.619 -6.511 1.642 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.800 -8.596 2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.422 -8.214 2.597 1.00 0.00 H new ATOM 1174 N VAL A 82 -0.988 -2.000 1.762 1.00 0.00 N ATOM 1175 CA VAL A 82 0.183 -1.330 1.210 1.00 0.00 C ATOM 1176 C VAL A 82 1.404 -2.242 1.239 1.00 0.00 C ATOM 1177 O VAL A 82 1.576 -3.038 2.163 1.00 0.00 O ATOM 1178 CB VAL A 82 0.504 -0.035 1.980 1.00 0.00 C ATOM 1179 CG1 VAL A 82 1.016 -0.358 3.376 1.00 0.00 C ATOM 1180 CG2 VAL A 82 1.514 0.804 1.213 1.00 0.00 C ATOM 0 H VAL A 82 -0.875 -2.322 2.723 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.054 -1.080 0.176 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.413 0.545 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.238 0.569 3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.255 -0.915 3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.922 -0.959 3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.729 1.715 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.434 0.234 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.104 1.065 0.237 1.00 0.00 H new ATOM 1190 N LYS A 83 2.250 -2.122 0.223 1.00 0.00 N ATOM 1191 CA LYS A 83 3.458 -2.934 0.131 1.00 0.00 C ATOM 1192 C LYS A 83 4.627 -2.112 -0.402 1.00 0.00 C ATOM 1193 O LYS A 83 4.458 -0.959 -0.797 1.00 0.00 O ATOM 1194 CB LYS A 83 3.216 -4.144 -0.774 1.00 0.00 C ATOM 1195 CG LYS A 83 2.757 -3.774 -2.174 1.00 0.00 C ATOM 1196 CD LYS A 83 3.204 -4.804 -3.197 1.00 0.00 C ATOM 1197 CE LYS A 83 3.234 -4.219 -4.601 1.00 0.00 C ATOM 1198 NZ LYS A 83 1.884 -4.215 -5.229 1.00 0.00 N ATOM 0 H LYS A 83 2.122 -1.469 -0.550 1.00 0.00 H new ATOM 0 HA LYS A 83 3.709 -3.282 1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.136 -4.725 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.467 -4.788 -0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.670 -3.690 -2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.156 -2.796 -2.442 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.195 -5.173 -2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.529 -5.659 -3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.619 -3.200 -4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.921 -4.796 -5.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.947 -4.606 -6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.235 -4.796 -4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.525 -3.240 -5.275 1.00 0.00 H new ATOM 1212 N ALA A 84 5.812 -2.714 -0.412 1.00 0.00 N ATOM 1213 CA ALA A 84 7.008 -2.039 -0.900 1.00 0.00 C ATOM 1214 C ALA A 84 7.573 -2.744 -2.129 1.00 0.00 C ATOM 1215 O ALA A 84 7.436 -3.959 -2.278 1.00 0.00 O ATOM 1216 CB ALA A 84 8.058 -1.965 0.198 1.00 0.00 C ATOM 0 H ALA A 84 5.969 -3.668 -0.088 1.00 0.00 H new ATOM 0 HA ALA A 84 6.730 -1.026 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.946 -1.458 -0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.658 -1.410 1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.324 -2.973 0.516 1.00 0.00 H new ATOM 1222 N PHE A 85 8.209 -1.975 -3.006 1.00 0.00 N ATOM 1223 CA PHE A 85 8.793 -2.526 -4.223 1.00 0.00 C ATOM 1224 C PHE A 85 10.045 -1.751 -4.625 1.00 0.00 C ATOM 1225 O PHE A 85 10.114 -0.534 -4.457 1.00 0.00 O ATOM 1226 CB PHE A 85 7.774 -2.497 -5.363 1.00 0.00 C ATOM 1227 CG PHE A 85 7.693 -1.169 -6.061 1.00 0.00 C ATOM 1228 CD1 PHE A 85 8.562 -0.861 -7.095 1.00 0.00 C ATOM 1229 CD2 PHE A 85 6.747 -0.229 -5.683 1.00 0.00 C ATOM 1230 CE1 PHE A 85 8.490 0.360 -7.739 1.00 0.00 C ATOM 1231 CE2 PHE A 85 6.670 0.993 -6.324 1.00 0.00 C ATOM 1232 CZ PHE A 85 7.544 1.288 -7.352 1.00 0.00 C ATOM 0 H PHE A 85 8.333 -0.968 -2.897 1.00 0.00 H new ATOM 0 HA PHE A 85 9.075 -3.560 -4.024 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.033 -3.266 -6.091 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.791 -2.751 -4.967 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.304 -1.583 -7.401 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.062 -0.454 -4.879 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.173 0.588 -8.544 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.927 1.716 -6.021 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.487 2.243 -7.852 1.00 0.00 H new ATOM 1242 N ASN A 86 11.031 -2.465 -5.156 1.00 0.00 N ATOM 1243 CA ASN A 86 12.281 -1.845 -5.581 1.00 0.00 C ATOM 1244 C ASN A 86 12.943 -2.659 -6.689 1.00 0.00 C ATOM 1245 O ASN A 86 12.404 -3.670 -7.139 1.00 0.00 O ATOM 1246 CB ASN A 86 13.236 -1.708 -4.394 1.00 0.00 C ATOM 1247 CG ASN A 86 13.602 -3.050 -3.788 1.00 0.00 C ATOM 1248 OD1 ASN A 86 13.550 -4.081 -4.459 1.00 0.00 O ATOM 1249 ND2 ASN A 86 13.975 -3.041 -2.513 1.00 0.00 N ATOM 0 H ASN A 86 10.989 -3.474 -5.303 1.00 0.00 H new ATOM 0 HA ASN A 86 12.051 -0.853 -5.971 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.144 -1.199 -4.718 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.775 -1.081 -3.631 1.00 0.00 H new ATOM 0 HD21 ASN A 86 14.233 -3.913 -2.051 1.00 0.00 H new ATOM 0 HD22 ASN A 86 14.003 -2.162 -1.996 1.00 0.00 H new ATOM 1256 N LYS A 87 14.116 -2.211 -7.125 1.00 0.00 N ATOM 1257 CA LYS A 87 14.854 -2.897 -8.179 1.00 0.00 C ATOM 1258 C LYS A 87 14.646 -4.405 -8.094 1.00 0.00 C ATOM 1259 O LYS A 87 14.267 -5.047 -9.075 1.00 0.00 O ATOM 1260 CB LYS A 87 16.345 -2.570 -8.081 1.00 0.00 C ATOM 1261 CG LYS A 87 16.691 -1.163 -8.537 1.00 0.00 C ATOM 1262 CD LYS A 87 18.105 -0.778 -8.136 1.00 0.00 C ATOM 1263 CE LYS A 87 18.141 -0.152 -6.750 1.00 0.00 C ATOM 1264 NZ LYS A 87 19.445 -0.386 -6.069 1.00 0.00 N ATOM 0 H LYS A 87 14.576 -1.375 -6.764 1.00 0.00 H new ATOM 0 HA LYS A 87 14.475 -2.549 -9.140 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.669 -2.698 -7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 87 16.906 -3.286 -8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.588 -1.095 -9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 87 15.984 -0.455 -8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.743 -1.662 -8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.512 -0.076 -8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 87 17.961 0.920 -6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 87 17.335 -0.566 -6.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 19.429 0.056 -5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.606 -1.409 -5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 20.212 0.031 -6.635 1.00 0.00 H new ATOM 1278 N THR A 88 14.896 -4.968 -6.916 1.00 0.00 N ATOM 1279 CA THR A 88 14.736 -6.401 -6.704 1.00 0.00 C ATOM 1280 C THR A 88 13.459 -6.915 -7.358 1.00 0.00 C ATOM 1281 O THR A 88 13.507 -7.644 -8.348 1.00 0.00 O ATOM 1282 CB THR A 88 14.706 -6.747 -5.203 1.00 0.00 C ATOM 1283 OG1 THR A 88 15.665 -5.952 -4.498 1.00 0.00 O ATOM 1284 CG2 THR A 88 15.002 -8.222 -4.982 1.00 0.00 C ATOM 0 H THR A 88 15.210 -4.453 -6.094 1.00 0.00 H new ATOM 0 HA THR A 88 15.597 -6.886 -7.164 1.00 0.00 H new ATOM 0 HB THR A 88 13.707 -6.532 -4.823 1.00 0.00 H new ATOM 0 HG1 THR A 88 15.256 -5.100 -4.239 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.975 -8.443 -3.915 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.253 -8.824 -5.496 1.00 0.00 H new ATOM 0 HG23 THR A 88 15.990 -8.458 -5.377 1.00 0.00 H new ATOM 1292 N GLY A 89 12.316 -6.529 -6.798 1.00 0.00 N ATOM 1293 CA GLY A 89 11.042 -6.960 -7.342 1.00 0.00 C ATOM 1294 C GLY A 89 9.863 -6.333 -6.623 1.00 0.00 C ATOM 1295 O GLY A 89 9.576 -5.150 -6.801 1.00 0.00 O ATOM 0 H GLY A 89 12.250 -5.926 -5.978 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.997 -6.703 -8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.970 -8.045 -7.274 1.00 0.00 H new ATOM 1299 N VAL A 90 9.177 -7.129 -5.809 1.00 0.00 N ATOM 1300 CA VAL A 90 8.023 -6.646 -5.061 1.00 0.00 C ATOM 1301 C VAL A 90 7.785 -7.488 -3.813 1.00 0.00 C ATOM 1302 O VAL A 90 8.157 -8.661 -3.762 1.00 0.00 O ATOM 1303 CB VAL A 90 6.748 -6.658 -5.926 1.00 0.00 C ATOM 1304 CG1 VAL A 90 6.555 -5.314 -6.611 1.00 0.00 C ATOM 1305 CG2 VAL A 90 6.810 -7.783 -6.948 1.00 0.00 C ATOM 0 H VAL A 90 9.401 -8.112 -5.651 1.00 0.00 H new ATOM 0 HA VAL A 90 8.244 -5.620 -4.767 1.00 0.00 H new ATOM 0 HB VAL A 90 5.890 -6.834 -5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.650 -5.341 -7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.464 -4.531 -5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.413 -5.104 -7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.902 -7.777 -7.551 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.676 -7.640 -7.595 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.897 -8.739 -6.432 1.00 0.00 H new ATOM 1315 N SER A 91 7.161 -6.883 -2.807 1.00 0.00 N ATOM 1316 CA SER A 91 6.876 -7.576 -1.556 1.00 0.00 C ATOM 1317 C SER A 91 5.377 -7.810 -1.394 1.00 0.00 C ATOM 1318 O SER A 91 4.549 -7.165 -2.039 1.00 0.00 O ATOM 1319 CB SER A 91 7.409 -6.772 -0.369 1.00 0.00 C ATOM 1320 OG SER A 91 8.747 -7.132 -0.070 1.00 0.00 O ATOM 0 H SER A 91 6.843 -5.914 -2.834 1.00 0.00 H new ATOM 0 HA SER A 91 7.377 -8.544 -1.584 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.357 -5.707 -0.594 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.779 -6.944 0.504 1.00 0.00 H new ATOM 0 HG SER A 91 9.290 -6.322 0.024 1.00 0.00 H new ATOM 1326 N PRO A 92 5.018 -8.754 -0.513 1.00 0.00 N ATOM 1327 CA PRO A 92 3.617 -9.095 -0.244 1.00 0.00 C ATOM 1328 C PRO A 92 2.883 -7.985 0.499 1.00 0.00 C ATOM 1329 O PRO A 92 3.488 -7.221 1.251 1.00 0.00 O ATOM 1330 CB PRO A 92 3.719 -10.347 0.631 1.00 0.00 C ATOM 1331 CG PRO A 92 5.053 -10.245 1.285 1.00 0.00 C ATOM 1332 CD PRO A 92 5.951 -9.562 0.290 1.00 0.00 C ATOM 0 HA PRO A 92 3.050 -9.245 -1.163 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.918 -10.380 1.369 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.640 -11.255 0.033 1.00 0.00 H new ATOM 0 HG2 PRO A 92 4.991 -9.674 2.211 1.00 0.00 H new ATOM 0 HG3 PRO A 92 5.437 -11.232 1.544 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.698 -8.941 0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.491 -10.282 -0.325 1.00 0.00 H new ATOM 1340 N TYR A 93 1.575 -7.900 0.282 1.00 0.00 N ATOM 1341 CA TYR A 93 0.758 -6.880 0.930 1.00 0.00 C ATOM 1342 C TYR A 93 0.747 -7.071 2.443 1.00 0.00 C ATOM 1343 O TYR A 93 1.068 -8.147 2.947 1.00 0.00 O ATOM 1344 CB TYR A 93 -0.673 -6.924 0.389 1.00 0.00 C ATOM 1345 CG TYR A 93 -0.762 -6.714 -1.105 1.00 0.00 C ATOM 1346 CD1 TYR A 93 -0.282 -5.550 -1.693 1.00 0.00 C ATOM 1347 CD2 TYR A 93 -1.327 -7.679 -1.930 1.00 0.00 C ATOM 1348 CE1 TYR A 93 -0.362 -5.353 -3.058 1.00 0.00 C ATOM 1349 CE2 TYR A 93 -1.410 -7.491 -3.296 1.00 0.00 C ATOM 1350 CZ TYR A 93 -0.927 -6.327 -3.855 1.00 0.00 C ATOM 1351 OH TYR A 93 -1.009 -6.135 -5.215 1.00 0.00 O ATOM 0 H TYR A 93 1.058 -8.524 -0.337 1.00 0.00 H new ATOM 0 HA TYR A 93 1.194 -5.906 0.708 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.118 -7.887 0.639 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.266 -6.159 0.891 1.00 0.00 H new ATOM 0 HD1 TYR A 93 0.161 -4.786 -1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.708 -8.592 -1.496 1.00 0.00 H new ATOM 0 HE1 TYR A 93 0.015 -4.442 -3.498 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.851 -8.252 -3.923 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.432 -6.915 -5.631 1.00 0.00 H new ATOM 1361 N SER A 94 0.376 -6.017 3.163 1.00 0.00 N ATOM 1362 CA SER A 94 0.327 -6.065 4.620 1.00 0.00 C ATOM 1363 C SER A 94 -1.044 -6.531 5.102 1.00 0.00 C ATOM 1364 O SER A 94 -1.972 -6.694 4.309 1.00 0.00 O ATOM 1365 CB SER A 94 0.646 -4.689 5.208 1.00 0.00 C ATOM 1366 OG SER A 94 -0.026 -4.493 6.440 1.00 0.00 O ATOM 0 H SER A 94 0.105 -5.119 2.761 1.00 0.00 H new ATOM 0 HA SER A 94 1.076 -6.780 4.961 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.722 -4.594 5.358 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.353 -3.912 4.502 1.00 0.00 H new ATOM 0 HG SER A 94 0.631 -4.341 7.151 1.00 0.00 H new ATOM 1372 N LYS A 95 -1.163 -6.745 6.407 1.00 0.00 N ATOM 1373 CA LYS A 95 -2.419 -7.192 6.998 1.00 0.00 C ATOM 1374 C LYS A 95 -3.594 -6.388 6.450 1.00 0.00 C ATOM 1375 O LYS A 95 -3.482 -5.184 6.217 1.00 0.00 O ATOM 1376 CB LYS A 95 -2.365 -7.061 8.522 1.00 0.00 C ATOM 1377 CG LYS A 95 -3.261 -8.049 9.249 1.00 0.00 C ATOM 1378 CD LYS A 95 -2.612 -9.419 9.352 1.00 0.00 C ATOM 1379 CE LYS A 95 -1.582 -9.465 10.470 1.00 0.00 C ATOM 1380 NZ LYS A 95 -1.243 -10.864 10.854 1.00 0.00 N ATOM 0 H LYS A 95 -0.405 -6.616 7.077 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.563 -8.240 6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.337 -7.203 8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.653 -6.048 8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.482 -7.674 10.248 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.212 -8.134 8.723 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.378 -10.173 9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.134 -9.668 8.405 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.678 -8.946 10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.966 -8.932 11.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.538 -10.853 11.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.101 -11.352 11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.853 -11.365 10.031 1.00 0.00 H new ATOM 1394 N THR A 96 -4.723 -7.061 6.247 1.00 0.00 N ATOM 1395 CA THR A 96 -5.918 -6.410 5.727 1.00 0.00 C ATOM 1396 C THR A 96 -6.434 -5.352 6.696 1.00 0.00 C ATOM 1397 O THR A 96 -6.905 -5.672 7.788 1.00 0.00 O ATOM 1398 CB THR A 96 -7.040 -7.430 5.455 1.00 0.00 C ATOM 1399 OG1 THR A 96 -6.604 -8.391 4.487 1.00 0.00 O ATOM 1400 CG2 THR A 96 -8.296 -6.732 4.954 1.00 0.00 C ATOM 0 H THR A 96 -4.834 -8.057 6.435 1.00 0.00 H new ATOM 0 HA THR A 96 -5.635 -5.933 4.789 1.00 0.00 H new ATOM 0 HB THR A 96 -7.274 -7.938 6.391 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.322 -9.037 4.321 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.074 -7.472 4.769 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.642 -6.022 5.705 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.073 -6.201 4.029 1.00 0.00 H new ATOM 1408 N LEU A 97 -6.342 -4.090 6.291 1.00 0.00 N ATOM 1409 CA LEU A 97 -6.800 -2.984 7.124 1.00 0.00 C ATOM 1410 C LEU A 97 -8.229 -2.587 6.765 1.00 0.00 C ATOM 1411 O LEU A 97 -8.479 -2.030 5.696 1.00 0.00 O ATOM 1412 CB LEU A 97 -5.869 -1.780 6.964 1.00 0.00 C ATOM 1413 CG LEU A 97 -6.379 -0.457 7.537 1.00 0.00 C ATOM 1414 CD1 LEU A 97 -6.037 -0.348 9.014 1.00 0.00 C ATOM 1415 CD2 LEU A 97 -5.797 0.717 6.764 1.00 0.00 C ATOM 0 H LEU A 97 -5.954 -3.807 5.391 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.784 -3.313 8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.917 -2.016 7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.668 -1.640 5.902 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.464 -0.432 7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.408 0.600 9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.502 -1.171 9.557 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.955 -0.395 9.141 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.170 1.651 7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.710 0.696 6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.094 0.647 5.718 1.00 0.00 H new ATOM 1427 N VAL A 98 -9.162 -2.877 7.666 1.00 0.00 N ATOM 1428 CA VAL A 98 -10.565 -2.548 7.446 1.00 0.00 C ATOM 1429 C VAL A 98 -10.867 -1.115 7.872 1.00 0.00 C ATOM 1430 O VAL A 98 -10.567 -0.714 8.997 1.00 0.00 O ATOM 1431 CB VAL A 98 -11.494 -3.506 8.215 1.00 0.00 C ATOM 1432 CG1 VAL A 98 -12.934 -3.339 7.754 1.00 0.00 C ATOM 1433 CG2 VAL A 98 -11.034 -4.946 8.042 1.00 0.00 C ATOM 0 H VAL A 98 -8.972 -3.339 8.555 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.750 -2.654 6.377 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.446 -3.258 9.275 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.575 -4.024 8.309 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.257 -2.314 7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.003 -3.560 6.689 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.701 -5.610 8.592 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.051 -5.209 6.984 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.019 -5.052 8.426 1.00 0.00 H new ATOM 1443 N LEU A 99 -11.462 -0.348 6.965 1.00 0.00 N ATOM 1444 CA LEU A 99 -11.805 1.042 7.246 1.00 0.00 C ATOM 1445 C LEU A 99 -13.313 1.256 7.170 1.00 0.00 C ATOM 1446 O LEU A 99 -13.815 1.876 6.232 1.00 0.00 O ATOM 1447 CB LEU A 99 -11.096 1.973 6.261 1.00 0.00 C ATOM 1448 CG LEU A 99 -9.569 1.896 6.246 1.00 0.00 C ATOM 1449 CD1 LEU A 99 -9.098 0.826 5.273 1.00 0.00 C ATOM 1450 CD2 LEU A 99 -8.971 3.248 5.885 1.00 0.00 C ATOM 0 H LEU A 99 -11.717 -0.665 6.029 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.474 1.275 8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -11.461 1.754 5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -11.386 2.999 6.488 1.00 0.00 H new ATOM 0 HG LEU A 99 -9.228 1.625 7.245 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.009 0.786 5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.498 -0.142 5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -9.450 1.066 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.883 3.175 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.320 3.548 4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.281 3.991 6.620 1.00 0.00 H new ATOM 1462 N GLN A 100 -14.030 0.741 8.163 1.00 0.00 N ATOM 1463 CA GLN A 100 -15.481 0.878 8.209 1.00 0.00 C ATOM 1464 C GLN A 100 -15.905 2.304 7.872 1.00 0.00 C ATOM 1465 O GLN A 100 -15.458 3.262 8.505 1.00 0.00 O ATOM 1466 CB GLN A 100 -16.008 0.490 9.591 1.00 0.00 C ATOM 1467 CG GLN A 100 -16.167 -1.010 9.783 1.00 0.00 C ATOM 1468 CD GLN A 100 -14.901 -1.671 10.292 1.00 0.00 C ATOM 1469 OE1 GLN A 100 -13.825 -1.071 10.277 1.00 0.00 O ATOM 1470 NE2 GLN A 100 -15.022 -2.913 10.745 1.00 0.00 N ATOM 0 H GLN A 100 -13.630 0.225 8.947 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.907 0.206 7.464 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.328 0.875 10.351 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -16.972 0.973 9.752 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -16.978 -1.198 10.486 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.454 -1.465 8.835 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -15.933 -3.372 10.739 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -14.204 -3.409 11.099 1.00 0.00 H new ATOM 1479 N THR A 101 -16.768 2.439 6.871 1.00 0.00 N ATOM 1480 CA THR A 101 -17.251 3.748 6.449 1.00 0.00 C ATOM 1481 C THR A 101 -18.651 4.018 6.988 1.00 0.00 C ATOM 1482 O THR A 101 -19.550 3.189 6.850 1.00 0.00 O ATOM 1483 CB THR A 101 -17.272 3.870 4.913 1.00 0.00 C ATOM 1484 OG1 THR A 101 -17.870 2.704 4.337 1.00 0.00 O ATOM 1485 CG2 THR A 101 -15.864 4.048 4.365 1.00 0.00 C ATOM 0 H THR A 101 -17.147 1.657 6.337 1.00 0.00 H new ATOM 0 HA THR A 101 -16.560 4.486 6.856 1.00 0.00 H new ATOM 0 HB THR A 101 -17.861 4.748 4.648 1.00 0.00 H new ATOM 0 HG1 THR A 101 -17.236 1.958 4.376 1.00 0.00 H new ATOM 0 HG21 THR A 101 -15.904 4.132 3.279 1.00 0.00 H new ATOM 0 HG22 THR A 101 -15.423 4.953 4.783 1.00 0.00 H new ATOM 0 HG23 THR A 101 -15.255 3.187 4.640 1.00 0.00 H new ATOM 1493 N SER A 102 -18.829 5.183 7.603 1.00 0.00 N ATOM 1494 CA SER A 102 -20.119 5.561 8.166 1.00 0.00 C ATOM 1495 C SER A 102 -20.973 6.286 7.130 1.00 0.00 C ATOM 1496 O SER A 102 -20.490 6.651 6.059 1.00 0.00 O ATOM 1497 CB SER A 102 -19.923 6.451 9.395 1.00 0.00 C ATOM 1498 OG SER A 102 -19.822 5.675 10.576 1.00 0.00 O ATOM 0 H SER A 102 -18.095 5.881 7.724 1.00 0.00 H new ATOM 0 HA SER A 102 -20.637 4.650 8.465 1.00 0.00 H new ATOM 0 HB2 SER A 102 -19.022 7.052 9.273 1.00 0.00 H new ATOM 0 HB3 SER A 102 -20.759 7.145 9.482 1.00 0.00 H new ATOM 0 HG SER A 102 -19.696 6.267 11.347 1.00 0.00 H new