USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 601 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 16 ASN : amide:sc= -0.0551 K(o=0.42,f=-3.6!) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.472 X(o=0.42,f=0.079) USER MOD Set 2.1: A 55 ASN : amide:sc= -0.598 K(o=-0.6,f=-7.2!) USER MOD Set 2.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 48 SER OG : rot 13:sc= 1.19 USER MOD Single : A 9 HIS : no HD1:sc= -0.567 X(o=-0.57,f=-0.12) USER MOD Single : A 10 THR OG1 : rot -140:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 35:sc= -0.85 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 159:sc= -0.0481 (180deg=-0.363) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -63:sc= 0.249 USER MOD Single : A 28 ASN : amide:sc= -0.0721 X(o=-0.072,f=0) USER MOD Single : A 34 SER OG : rot -44:sc= 0.806 USER MOD Single : A 36 ASN : amide:sc= -0.0052 K(o=-0.0052,f=-1.3) USER MOD Single : A 37 CYS SG : rot 102:sc= 0.819 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 19:sc= 0.926 USER MOD Single : A 47 CYS SG : rot 180:sc= -0.665 USER MOD Single : A 56 GLN : amide:sc= 0.0899 K(o=0.09,f=-0.53) USER MOD Single : A 63 GLN : amide:sc= -0.369 K(o=-0.37,f=-3.2!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 139:sc= -1.89 (180deg=-3.64!) USER MOD Single : A 68 ASN : amide:sc= -0.0461 X(o=-0.046,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 9 8.586 14.121 0.385 1.00 0.00 N ATOM 78 CA HIS A 9 7.671 13.002 0.187 1.00 0.00 C ATOM 79 C HIS A 9 6.770 12.816 1.404 1.00 0.00 C ATOM 80 O HIS A 9 7.120 13.211 2.516 1.00 0.00 O ATOM 81 CB HIS A 9 8.455 11.717 -0.083 1.00 0.00 C ATOM 82 CG HIS A 9 8.729 11.476 -1.535 1.00 0.00 C ATOM 83 ND1 HIS A 9 9.769 12.075 -2.214 1.00 0.00 N ATOM 84 CD2 HIS A 9 8.092 10.695 -2.439 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.759 11.674 -3.473 1.00 0.00 C ATOM 86 NE2 HIS A 9 8.751 10.836 -3.635 1.00 0.00 N ATOM 0 HA HIS A 9 7.044 13.225 -0.677 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.402 11.759 0.455 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.898 10.870 0.319 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.226 10.076 -2.254 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.456 11.979 -4.239 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.503 10.369 -4.507 1.00 0.00 H new ATOM 94 N THR A 10 5.606 12.212 1.185 1.00 0.00 N ATOM 95 CA THR A 10 4.653 11.975 2.262 1.00 0.00 C ATOM 96 C THR A 10 4.315 10.493 2.381 1.00 0.00 C ATOM 97 O THR A 10 3.631 9.931 1.524 1.00 0.00 O ATOM 98 CB THR A 10 3.352 12.771 2.046 1.00 0.00 C ATOM 99 OG1 THR A 10 3.651 14.161 1.871 1.00 0.00 O ATOM 100 CG2 THR A 10 2.408 12.595 3.226 1.00 0.00 C ATOM 0 H THR A 10 5.301 11.878 0.271 1.00 0.00 H new ATOM 0 HA THR A 10 5.127 12.312 3.184 1.00 0.00 H new ATOM 0 HB THR A 10 2.863 12.389 1.150 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.982 14.701 2.342 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.496 13.166 3.051 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.159 11.540 3.339 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.891 12.953 4.135 1.00 0.00 H new ATOM 108 N LEU A 11 4.796 9.865 3.448 1.00 0.00 N ATOM 109 CA LEU A 11 4.544 8.447 3.680 1.00 0.00 C ATOM 110 C LEU A 11 3.328 8.251 4.580 1.00 0.00 C ATOM 111 O LEU A 11 3.055 9.068 5.459 1.00 0.00 O ATOM 112 CB LEU A 11 5.771 7.787 4.310 1.00 0.00 C ATOM 113 CG LEU A 11 7.106 8.044 3.609 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.248 8.026 4.613 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.340 7.014 2.514 1.00 0.00 C ATOM 0 H LEU A 11 5.363 10.315 4.166 1.00 0.00 H new ATOM 0 HA LEU A 11 4.341 7.977 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.853 8.129 5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.603 6.711 4.344 1.00 0.00 H new ATOM 0 HG LEU A 11 7.069 9.032 3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.190 8.211 4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.087 8.802 5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.287 7.053 5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.294 7.212 2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.356 6.016 2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.537 7.075 1.779 1.00 0.00 H new ATOM 127 N LEU A 12 2.603 7.161 4.355 1.00 0.00 N ATOM 128 CA LEU A 12 1.417 6.854 5.147 1.00 0.00 C ATOM 129 C LEU A 12 1.659 5.646 6.046 1.00 0.00 C ATOM 130 O LEU A 12 2.501 4.798 5.749 1.00 0.00 O ATOM 131 CB LEU A 12 0.221 6.591 4.230 1.00 0.00 C ATOM 132 CG LEU A 12 -0.504 7.829 3.701 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.761 7.428 2.943 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.847 8.775 4.842 1.00 0.00 C ATOM 0 H LEU A 12 2.815 6.475 3.631 1.00 0.00 H new ATOM 0 HA LEU A 12 1.200 7.715 5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.564 6.004 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.498 5.977 4.772 1.00 0.00 H new ATOM 0 HG LEU A 12 0.161 8.349 3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.264 8.322 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.491 6.790 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.430 6.884 3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.362 9.650 4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.494 8.265 5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.069 9.089 5.342 1.00 0.00 H new ATOM 146 N TYR A 13 0.915 5.573 7.144 1.00 0.00 N ATOM 147 CA TYR A 13 1.049 4.468 8.086 1.00 0.00 C ATOM 148 C TYR A 13 -0.292 3.775 8.307 1.00 0.00 C ATOM 149 O TYR A 13 -1.193 4.327 8.938 1.00 0.00 O ATOM 150 CB TYR A 13 1.601 4.973 9.421 1.00 0.00 C ATOM 151 CG TYR A 13 2.942 5.660 9.300 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.854 5.282 8.323 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.296 6.690 10.163 1.00 0.00 C ATOM 154 CE1 TYR A 13 5.080 5.907 8.210 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.520 7.322 10.057 1.00 0.00 C ATOM 156 CZ TYR A 13 5.409 6.927 9.079 1.00 0.00 C ATOM 157 OH TYR A 13 6.629 7.553 8.969 1.00 0.00 O ATOM 0 H TYR A 13 0.213 6.266 7.404 1.00 0.00 H new ATOM 0 HA TYR A 13 1.746 3.745 7.662 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.885 5.667 9.862 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.694 4.132 10.108 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.600 4.485 7.640 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.602 7.002 10.930 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.778 5.599 7.445 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.779 8.121 10.736 1.00 0.00 H new ATOM 0 HH TYR A 13 6.703 8.249 9.655 1.00 0.00 H new ATOM 167 N VAL A 14 -0.416 2.560 7.782 1.00 0.00 N ATOM 168 CA VAL A 14 -1.645 1.788 7.922 1.00 0.00 C ATOM 169 C VAL A 14 -1.585 0.875 9.141 1.00 0.00 C ATOM 170 O VAL A 14 -0.522 0.364 9.495 1.00 0.00 O ATOM 171 CB VAL A 14 -1.918 0.936 6.669 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.337 0.387 6.694 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.676 1.750 5.407 1.00 0.00 C ATOM 0 H VAL A 14 0.320 2.089 7.256 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.456 2.505 8.049 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.227 0.093 6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.511 -0.212 5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.471 -0.234 7.579 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.047 1.214 6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.874 1.131 4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.340 2.614 5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.640 2.088 5.385 1.00 0.00 H new ATOM 183 N TYR A 15 -2.732 0.673 9.779 1.00 0.00 N ATOM 184 CA TYR A 15 -2.810 -0.178 10.961 1.00 0.00 C ATOM 185 C TYR A 15 -4.070 -1.038 10.931 1.00 0.00 C ATOM 186 O TYR A 15 -4.905 -0.903 10.038 1.00 0.00 O ATOM 187 CB TYR A 15 -2.790 0.674 12.231 1.00 0.00 C ATOM 188 CG TYR A 15 -1.668 1.688 12.263 1.00 0.00 C ATOM 189 CD1 TYR A 15 -1.817 2.937 11.675 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.460 1.395 12.883 1.00 0.00 C ATOM 191 CE1 TYR A 15 -0.795 3.866 11.701 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.568 2.318 12.915 1.00 0.00 C ATOM 193 CZ TYR A 15 0.396 3.551 12.323 1.00 0.00 C ATOM 194 OH TYR A 15 1.417 4.474 12.353 1.00 0.00 O ATOM 0 H TYR A 15 -3.621 1.087 9.498 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.942 -0.837 10.961 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.743 1.196 12.323 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.700 0.018 13.097 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.748 3.187 11.189 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.322 0.430 13.348 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.927 4.833 11.238 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.501 2.075 13.401 1.00 0.00 H new ATOM 0 HH TYR A 15 1.041 5.375 12.440 1.00 0.00 H new ATOM 204 N ASN A 16 -4.199 -1.921 11.915 1.00 0.00 N ATOM 205 CA ASN A 16 -5.356 -2.804 12.004 1.00 0.00 C ATOM 206 C ASN A 16 -5.433 -3.723 10.788 1.00 0.00 C ATOM 207 O ASN A 16 -6.518 -4.010 10.281 1.00 0.00 O ATOM 208 CB ASN A 16 -6.642 -1.983 12.118 1.00 0.00 C ATOM 209 CG ASN A 16 -7.746 -2.735 12.835 1.00 0.00 C ATOM 210 OD1 ASN A 16 -8.301 -3.699 12.307 1.00 0.00 O ATOM 211 ND2 ASN A 16 -8.071 -2.296 14.046 1.00 0.00 N ATOM 0 H ASN A 16 -3.516 -2.044 12.663 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.245 -3.419 12.897 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.432 -1.056 12.651 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.983 -1.707 11.120 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.807 -2.762 14.577 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.585 -1.493 14.445 1.00 0.00 H new ATOM 218 N LEU A 17 -4.275 -4.183 10.327 1.00 0.00 N ATOM 219 CA LEU A 17 -4.210 -5.071 9.172 1.00 0.00 C ATOM 220 C LEU A 17 -4.497 -6.513 9.577 1.00 0.00 C ATOM 221 O LEU A 17 -4.171 -6.951 10.681 1.00 0.00 O ATOM 222 CB LEU A 17 -2.834 -4.979 8.510 1.00 0.00 C ATOM 223 CG LEU A 17 -2.559 -3.708 7.706 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.066 -3.532 7.479 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.301 -3.746 6.378 1.00 0.00 C ATOM 0 H LEU A 17 -3.368 -3.956 10.736 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.971 -4.755 8.459 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.073 -5.066 9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.713 -5.837 7.848 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.922 -2.854 8.278 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.890 -2.622 6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.558 -3.458 8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.678 -4.389 6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.094 -2.833 5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.969 -4.609 5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.373 -3.823 6.562 1.00 0.00 H new ATOM 237 N PRO A 18 -5.120 -7.272 8.663 1.00 0.00 N ATOM 238 CA PRO A 18 -5.461 -8.678 8.901 1.00 0.00 C ATOM 239 C PRO A 18 -4.229 -9.574 8.948 1.00 0.00 C ATOM 240 O PRO A 18 -3.780 -10.083 7.922 1.00 0.00 O ATOM 241 CB PRO A 18 -6.338 -9.038 7.699 1.00 0.00 C ATOM 242 CG PRO A 18 -5.919 -8.092 6.627 1.00 0.00 C ATOM 243 CD PRO A 18 -5.537 -6.817 7.326 1.00 0.00 C ATOM 0 HA PRO A 18 -5.952 -8.821 9.863 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.186 -10.074 7.394 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.397 -8.926 7.934 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.079 -8.493 6.059 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.730 -7.921 5.919 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.729 -6.301 6.807 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.375 -6.122 7.381 1.00 0.00 H new ATOM 251 N ALA A 19 -3.686 -9.763 10.147 1.00 0.00 N ATOM 252 CA ALA A 19 -2.507 -10.600 10.328 1.00 0.00 C ATOM 253 C ALA A 19 -2.731 -11.996 9.756 1.00 0.00 C ATOM 254 O ALA A 19 -1.868 -12.541 9.069 1.00 0.00 O ATOM 255 CB ALA A 19 -2.141 -10.685 11.802 1.00 0.00 C ATOM 0 H ALA A 19 -4.044 -9.347 11.007 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.680 -10.142 9.785 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.259 -11.313 11.922 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.929 -9.686 12.183 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.972 -11.117 12.359 1.00 0.00 H new ATOM 261 N ASN A 20 -3.895 -12.569 10.044 1.00 0.00 N ATOM 262 CA ASN A 20 -4.232 -13.902 9.559 1.00 0.00 C ATOM 263 C ASN A 20 -4.088 -13.981 8.042 1.00 0.00 C ATOM 264 O ASN A 20 -3.520 -14.935 7.510 1.00 0.00 O ATOM 265 CB ASN A 20 -5.660 -14.270 9.967 1.00 0.00 C ATOM 266 CG ASN A 20 -5.750 -14.723 11.411 1.00 0.00 C ATOM 267 OD1 ASN A 20 -5.683 -13.910 12.334 1.00 0.00 O ATOM 268 ND2 ASN A 20 -5.902 -16.027 11.614 1.00 0.00 N ATOM 0 H ASN A 20 -4.621 -12.131 10.611 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.538 -14.612 10.010 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.311 -13.408 9.818 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.028 -15.064 9.317 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.968 -16.391 12.565 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.953 -16.664 10.819 1.00 0.00 H new ATOM 275 N LYS A 21 -4.607 -12.972 7.351 1.00 0.00 N ATOM 276 CA LYS A 21 -4.535 -12.925 5.895 1.00 0.00 C ATOM 277 C LYS A 21 -3.087 -12.837 5.424 1.00 0.00 C ATOM 278 O LYS A 21 -2.433 -11.806 5.586 1.00 0.00 O ATOM 279 CB LYS A 21 -5.329 -11.729 5.364 1.00 0.00 C ATOM 280 CG LYS A 21 -6.785 -11.724 5.797 1.00 0.00 C ATOM 281 CD LYS A 21 -7.580 -12.809 5.090 1.00 0.00 C ATOM 282 CE LYS A 21 -7.446 -12.703 3.579 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.579 -13.365 2.874 1.00 0.00 N ATOM 0 H LYS A 21 -5.082 -12.176 7.776 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.970 -13.845 5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.854 -10.809 5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.283 -11.728 4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.845 -11.871 6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.226 -10.750 5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.233 -13.789 5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.631 -12.732 5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.403 -11.653 3.291 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.507 -13.158 3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.451 -13.271 1.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.605 -14.373 3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.473 -12.914 3.154 1.00 0.00 H new ATOM 297 N ASP A 22 -2.593 -13.923 4.840 1.00 0.00 N ATOM 298 CA ASP A 22 -1.223 -13.968 4.343 1.00 0.00 C ATOM 299 C ASP A 22 -0.812 -12.619 3.761 1.00 0.00 C ATOM 300 O ASP A 22 -1.473 -12.088 2.870 1.00 0.00 O ATOM 301 CB ASP A 22 -1.078 -15.060 3.282 1.00 0.00 C ATOM 302 CG ASP A 22 -1.309 -16.448 3.845 1.00 0.00 C ATOM 303 OD1 ASP A 22 -0.480 -16.903 4.661 1.00 0.00 O ATOM 304 OD2 ASP A 22 -2.319 -17.081 3.470 1.00 0.00 O ATOM 0 H ASP A 22 -3.121 -14.784 4.699 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.566 -14.198 5.182 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.788 -14.875 2.475 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.080 -15.009 2.846 1.00 0.00 H new ATOM 309 N GLY A 23 0.285 -12.068 4.273 1.00 0.00 N ATOM 310 CA GLY A 23 0.765 -10.785 3.794 1.00 0.00 C ATOM 311 C GLY A 23 0.717 -10.677 2.283 1.00 0.00 C ATOM 312 O GLY A 23 0.248 -9.677 1.738 1.00 0.00 O ATOM 0 H GLY A 23 0.850 -12.488 5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.163 -9.989 4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.790 -10.634 4.134 1.00 0.00 H new ATOM 316 N LYS A 24 1.206 -11.708 1.601 1.00 0.00 N ATOM 317 CA LYS A 24 1.218 -11.725 0.143 1.00 0.00 C ATOM 318 C LYS A 24 -0.079 -11.153 -0.419 1.00 0.00 C ATOM 319 O LYS A 24 -0.059 -10.292 -1.299 1.00 0.00 O ATOM 320 CB LYS A 24 1.421 -13.153 -0.368 1.00 0.00 C ATOM 321 CG LYS A 24 1.603 -13.240 -1.874 1.00 0.00 C ATOM 322 CD LYS A 24 3.017 -12.867 -2.287 1.00 0.00 C ATOM 323 CE LYS A 24 3.096 -12.537 -3.770 1.00 0.00 C ATOM 324 NZ LYS A 24 2.365 -11.282 -4.098 1.00 0.00 N ATOM 0 H LYS A 24 1.599 -12.543 2.035 1.00 0.00 H new ATOM 0 HA LYS A 24 2.046 -11.102 -0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.295 -13.584 0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.563 -13.759 -0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.380 -14.252 -2.211 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.892 -12.576 -2.366 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.353 -12.010 -1.704 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.693 -13.692 -2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.141 -12.437 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.680 -13.362 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.719 -10.899 -4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.349 -11.485 -4.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.516 -10.584 -3.342 1.00 0.00 H new ATOM 338 N SER A 25 -1.206 -11.634 0.097 1.00 0.00 N ATOM 339 CA SER A 25 -2.513 -11.172 -0.355 1.00 0.00 C ATOM 340 C SER A 25 -2.771 -9.740 0.105 1.00 0.00 C ATOM 341 O SER A 25 -3.165 -8.883 -0.686 1.00 0.00 O ATOM 342 CB SER A 25 -3.614 -12.095 0.169 1.00 0.00 C ATOM 343 OG SER A 25 -3.775 -13.225 -0.670 1.00 0.00 O ATOM 0 H SER A 25 -1.240 -12.344 0.829 1.00 0.00 H new ATOM 0 HA SER A 25 -2.521 -11.193 -1.445 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.369 -12.421 1.180 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.554 -11.547 0.230 1.00 0.00 H new ATOM 0 HG SER A 25 -4.483 -13.800 -0.312 1.00 0.00 H new ATOM 349 N VAL A 26 -2.547 -9.489 1.391 1.00 0.00 N ATOM 350 CA VAL A 26 -2.755 -8.162 1.958 1.00 0.00 C ATOM 351 C VAL A 26 -2.093 -7.089 1.101 1.00 0.00 C ATOM 352 O VAL A 26 -2.769 -6.244 0.514 1.00 0.00 O ATOM 353 CB VAL A 26 -2.201 -8.072 3.393 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.524 -6.718 4.006 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.756 -9.200 4.249 1.00 0.00 C ATOM 0 H VAL A 26 -2.222 -10.187 2.060 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.831 -7.992 1.981 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.117 -8.176 3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.125 -6.673 5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.074 -5.929 3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.605 -6.580 4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.355 -9.121 5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.843 -9.129 4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.469 -10.159 3.818 1.00 0.00 H new ATOM 365 N SER A 27 -0.766 -7.128 1.034 1.00 0.00 N ATOM 366 CA SER A 27 -0.011 -6.156 0.252 1.00 0.00 C ATOM 367 C SER A 27 -0.747 -5.807 -1.038 1.00 0.00 C ATOM 368 O SER A 27 -1.220 -4.685 -1.211 1.00 0.00 O ATOM 369 CB SER A 27 1.381 -6.703 -0.074 1.00 0.00 C ATOM 370 OG SER A 27 1.295 -7.871 -0.871 1.00 0.00 O ATOM 0 H SER A 27 -0.192 -7.822 1.512 1.00 0.00 H new ATOM 0 HA SER A 27 0.093 -5.249 0.848 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.960 -5.943 -0.598 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.913 -6.928 0.851 1.00 0.00 H new ATOM 0 HG SER A 27 0.840 -8.578 -0.367 1.00 0.00 H new ATOM 376 N ASN A 28 -0.841 -6.779 -1.940 1.00 0.00 N ATOM 377 CA ASN A 28 -1.520 -6.575 -3.215 1.00 0.00 C ATOM 378 C ASN A 28 -2.724 -5.654 -3.049 1.00 0.00 C ATOM 379 O ASN A 28 -2.807 -4.603 -3.685 1.00 0.00 O ATOM 380 CB ASN A 28 -1.966 -7.917 -3.798 1.00 0.00 C ATOM 381 CG ASN A 28 -2.282 -7.827 -5.279 1.00 0.00 C ATOM 382 OD1 ASN A 28 -3.401 -8.113 -5.705 1.00 0.00 O ATOM 383 ND2 ASN A 28 -1.293 -7.430 -6.071 1.00 0.00 N ATOM 0 H ASN A 28 -0.456 -7.715 -1.812 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.817 -6.103 -3.902 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.181 -8.657 -3.641 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.848 -8.268 -3.262 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.445 -7.352 -7.077 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.381 -7.203 -5.674 1.00 0.00 H new ATOM 390 N ARG A 29 -3.655 -6.055 -2.189 1.00 0.00 N ATOM 391 CA ARG A 29 -4.855 -5.265 -1.940 1.00 0.00 C ATOM 392 C ARG A 29 -4.505 -3.797 -1.721 1.00 0.00 C ATOM 393 O ARG A 29 -5.171 -2.903 -2.245 1.00 0.00 O ATOM 394 CB ARG A 29 -5.604 -5.809 -0.721 1.00 0.00 C ATOM 395 CG ARG A 29 -6.777 -4.942 -0.291 1.00 0.00 C ATOM 396 CD ARG A 29 -7.851 -4.885 -1.366 1.00 0.00 C ATOM 397 NE ARG A 29 -8.603 -6.133 -1.455 1.00 0.00 N ATOM 398 CZ ARG A 29 -9.604 -6.329 -2.306 1.00 0.00 C ATOM 399 NH1 ARG A 29 -9.971 -5.363 -3.137 1.00 0.00 N ATOM 400 NH2 ARG A 29 -10.241 -7.493 -2.327 1.00 0.00 N ATOM 0 H ARG A 29 -3.601 -6.921 -1.654 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.497 -5.340 -2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.967 -6.812 -0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.907 -5.902 0.112 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.204 -5.337 0.631 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.425 -3.934 -0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.535 -4.064 -1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.388 -4.671 -2.330 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.346 -6.896 -0.829 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.484 -4.467 -3.124 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.740 -5.516 -3.789 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.962 -8.239 -1.689 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.009 -7.642 -2.981 1.00 0.00 H new ATOM 414 N LEU A 30 -3.455 -3.554 -0.944 1.00 0.00 N ATOM 415 CA LEU A 30 -3.015 -2.193 -0.655 1.00 0.00 C ATOM 416 C LEU A 30 -2.357 -1.562 -1.878 1.00 0.00 C ATOM 417 O LEU A 30 -2.549 -0.379 -2.158 1.00 0.00 O ATOM 418 CB LEU A 30 -2.039 -2.190 0.522 1.00 0.00 C ATOM 419 CG LEU A 30 -2.650 -2.442 1.901 1.00 0.00 C ATOM 420 CD1 LEU A 30 -2.790 -3.934 2.159 1.00 0.00 C ATOM 421 CD2 LEU A 30 -1.805 -1.789 2.986 1.00 0.00 C ATOM 0 H LEU A 30 -2.892 -4.281 -0.503 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.893 -1.602 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.278 -2.949 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.529 -1.227 0.543 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.644 -1.995 1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.226 -4.093 3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.436 -4.375 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.808 -4.404 2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.255 -1.978 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.798 -2.206 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.756 -0.714 2.812 1.00 0.00 H new ATOM 433 N ARG A 31 -1.581 -2.361 -2.604 1.00 0.00 N ATOM 434 CA ARG A 31 -0.895 -1.882 -3.797 1.00 0.00 C ATOM 435 C ARG A 31 -1.868 -1.177 -4.738 1.00 0.00 C ATOM 436 O ARG A 31 -1.569 -0.107 -5.268 1.00 0.00 O ATOM 437 CB ARG A 31 -0.219 -3.045 -4.525 1.00 0.00 C ATOM 438 CG ARG A 31 1.181 -3.350 -4.017 1.00 0.00 C ATOM 439 CD ARG A 31 1.709 -4.657 -4.589 1.00 0.00 C ATOM 440 NE ARG A 31 2.353 -4.465 -5.886 1.00 0.00 N ATOM 441 CZ ARG A 31 2.914 -5.449 -6.580 1.00 0.00 C ATOM 442 NH1 ARG A 31 2.911 -6.686 -6.104 1.00 0.00 N ATOM 443 NH2 ARG A 31 3.480 -5.195 -7.753 1.00 0.00 N ATOM 0 H ARG A 31 -1.412 -3.343 -2.386 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.135 -1.166 -3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.837 -3.937 -4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.168 -2.816 -5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.853 -2.535 -4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.170 -3.406 -2.928 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.422 -5.096 -3.891 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.887 -5.365 -4.693 1.00 0.00 H new ATOM 0 HE ARG A 31 2.373 -3.524 -6.280 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.477 -6.884 -5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.343 -7.439 -6.639 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.484 -4.244 -8.122 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.911 -5.951 -8.286 1.00 0.00 H new ATOM 457 N ARG A 32 -3.033 -1.784 -4.940 1.00 0.00 N ATOM 458 CA ARG A 32 -4.049 -1.215 -5.817 1.00 0.00 C ATOM 459 C ARG A 32 -4.509 0.146 -5.305 1.00 0.00 C ATOM 460 O ARG A 32 -4.581 1.115 -6.063 1.00 0.00 O ATOM 461 CB ARG A 32 -5.246 -2.162 -5.927 1.00 0.00 C ATOM 462 CG ARG A 32 -4.994 -3.361 -6.826 1.00 0.00 C ATOM 463 CD ARG A 32 -6.207 -3.676 -7.687 1.00 0.00 C ATOM 464 NE ARG A 32 -6.211 -5.065 -8.140 1.00 0.00 N ATOM 465 CZ ARG A 32 -7.064 -5.542 -9.039 1.00 0.00 C ATOM 466 NH1 ARG A 32 -7.977 -4.747 -9.579 1.00 0.00 N ATOM 467 NH2 ARG A 32 -7.005 -6.818 -9.399 1.00 0.00 N ATOM 0 H ARG A 32 -3.297 -2.670 -4.508 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.607 -1.082 -6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.512 -2.515 -4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.104 -1.607 -6.308 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.134 -3.163 -7.466 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.744 -4.229 -6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.116 -3.477 -7.119 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.220 -3.013 -8.552 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.521 -5.703 -7.744 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.026 -3.766 -9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.631 -5.116 -10.269 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.304 -7.433 -8.985 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.660 -7.184 -10.090 1.00 0.00 H new ATOM 481 N LEU A 33 -4.820 0.214 -4.015 1.00 0.00 N ATOM 482 CA LEU A 33 -5.274 1.457 -3.401 1.00 0.00 C ATOM 483 C LEU A 33 -4.187 2.525 -3.466 1.00 0.00 C ATOM 484 O LEU A 33 -4.469 3.719 -3.372 1.00 0.00 O ATOM 485 CB LEU A 33 -5.678 1.212 -1.946 1.00 0.00 C ATOM 486 CG LEU A 33 -6.969 0.421 -1.732 1.00 0.00 C ATOM 487 CD1 LEU A 33 -6.915 -0.344 -0.419 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.174 1.350 -1.761 1.00 0.00 C ATOM 0 H LEU A 33 -4.766 -0.577 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.141 1.813 -3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.865 0.684 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.781 2.178 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.070 -0.299 -2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.842 -0.901 -0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.074 -1.038 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.790 0.357 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.084 0.770 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.079 2.094 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.223 1.852 -2.727 1.00 0.00 H new ATOM 500 N SER A 34 -2.942 2.086 -3.630 1.00 0.00 N ATOM 501 CA SER A 34 -1.812 3.005 -3.706 1.00 0.00 C ATOM 502 C SER A 34 -1.589 3.473 -5.141 1.00 0.00 C ATOM 503 O SER A 34 -1.322 4.649 -5.387 1.00 0.00 O ATOM 504 CB SER A 34 -0.545 2.332 -3.174 1.00 0.00 C ATOM 505 OG SER A 34 -0.031 1.400 -4.109 1.00 0.00 O ATOM 0 H SER A 34 -2.691 1.101 -3.713 1.00 0.00 H new ATOM 0 HA SER A 34 -2.039 3.875 -3.090 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.209 3.089 -2.958 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.766 1.825 -2.235 1.00 0.00 H new ATOM 0 HG SER A 34 -0.765 0.862 -4.472 1.00 0.00 H new ATOM 511 N ASP A 35 -1.700 2.544 -6.084 1.00 0.00 N ATOM 512 CA ASP A 35 -1.511 2.860 -7.495 1.00 0.00 C ATOM 513 C ASP A 35 -2.490 3.940 -7.945 1.00 0.00 C ATOM 514 O ASP A 35 -2.124 4.855 -8.682 1.00 0.00 O ATOM 515 CB ASP A 35 -1.690 1.604 -8.349 1.00 0.00 C ATOM 516 CG ASP A 35 -1.755 1.917 -9.831 1.00 0.00 C ATOM 517 OD1 ASP A 35 -2.819 2.378 -10.294 1.00 0.00 O ATOM 518 OD2 ASP A 35 -0.742 1.699 -10.529 1.00 0.00 O ATOM 0 H ASP A 35 -1.920 1.566 -5.897 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.497 3.237 -7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.863 0.919 -8.161 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.603 1.091 -8.048 1.00 0.00 H new ATOM 523 N ASN A 36 -3.736 3.827 -7.497 1.00 0.00 N ATOM 524 CA ASN A 36 -4.768 4.793 -7.855 1.00 0.00 C ATOM 525 C ASN A 36 -4.544 6.120 -7.137 1.00 0.00 C ATOM 526 O ASN A 36 -4.702 7.190 -7.725 1.00 0.00 O ATOM 527 CB ASN A 36 -6.153 4.242 -7.511 1.00 0.00 C ATOM 528 CG ASN A 36 -7.272 5.098 -8.072 1.00 0.00 C ATOM 529 OD1 ASN A 36 -7.052 5.926 -8.956 1.00 0.00 O ATOM 530 ND2 ASN A 36 -8.481 4.903 -7.558 1.00 0.00 N ATOM 0 H ASN A 36 -4.056 3.076 -6.885 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.710 4.967 -8.929 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.245 3.228 -7.901 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.257 4.178 -6.428 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.273 5.451 -7.895 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.618 4.206 -6.826 1.00 0.00 H new ATOM 537 N CYS A 37 -4.174 6.042 -5.864 1.00 0.00 N ATOM 538 CA CYS A 37 -3.928 7.237 -5.064 1.00 0.00 C ATOM 539 C CYS A 37 -2.467 7.665 -5.162 1.00 0.00 C ATOM 540 O CYS A 37 -1.922 8.266 -4.237 1.00 0.00 O ATOM 541 CB CYS A 37 -4.301 6.985 -3.603 1.00 0.00 C ATOM 542 SG CYS A 37 -5.898 6.167 -3.380 1.00 0.00 S ATOM 0 H CYS A 37 -4.038 5.164 -5.363 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.551 8.041 -5.456 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.525 6.375 -3.141 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.316 7.938 -3.073 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.708 4.906 -3.127 1.00 0.00 H new ATOM 548 N GLY A 38 -1.837 7.349 -6.289 1.00 0.00 N ATOM 549 CA GLY A 38 -0.444 7.706 -6.486 1.00 0.00 C ATOM 550 C GLY A 38 0.414 7.382 -5.280 1.00 0.00 C ATOM 551 O GLY A 38 0.832 8.278 -4.548 1.00 0.00 O ATOM 0 H GLY A 38 -2.266 6.852 -7.069 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.056 7.177 -7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.373 8.772 -6.703 1.00 0.00 H new ATOM 555 N GLY A 39 0.676 6.096 -5.070 1.00 0.00 N ATOM 556 CA GLY A 39 1.486 5.678 -3.941 1.00 0.00 C ATOM 557 C GLY A 39 2.131 4.324 -4.159 1.00 0.00 C ATOM 558 O GLY A 39 1.859 3.651 -5.154 1.00 0.00 O ATOM 0 H GLY A 39 0.342 5.336 -5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.262 6.422 -3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.865 5.641 -3.046 1.00 0.00 H new ATOM 562 N LYS A 40 2.990 3.922 -3.229 1.00 0.00 N ATOM 563 CA LYS A 40 3.677 2.640 -3.323 1.00 0.00 C ATOM 564 C LYS A 40 3.965 2.073 -1.936 1.00 0.00 C ATOM 565 O LYS A 40 4.691 2.678 -1.146 1.00 0.00 O ATOM 566 CB LYS A 40 4.984 2.794 -4.104 1.00 0.00 C ATOM 567 CG LYS A 40 5.660 1.473 -4.426 1.00 0.00 C ATOM 568 CD LYS A 40 6.938 1.679 -5.222 1.00 0.00 C ATOM 569 CE LYS A 40 7.706 0.377 -5.391 1.00 0.00 C ATOM 570 NZ LYS A 40 7.289 -0.357 -6.618 1.00 0.00 N ATOM 0 H LYS A 40 3.227 4.467 -2.400 1.00 0.00 H new ATOM 0 HA LYS A 40 3.025 1.945 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.781 3.325 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.671 3.413 -3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.888 0.945 -3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.975 0.842 -4.992 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.695 2.089 -6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.568 2.411 -4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.774 0.589 -5.440 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.546 -0.255 -4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.835 -1.239 -6.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.275 -0.582 -6.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.465 0.236 -7.454 1.00 0.00 H new ATOM 584 N VAL A 41 3.394 0.909 -1.647 1.00 0.00 N ATOM 585 CA VAL A 41 3.592 0.259 -0.357 1.00 0.00 C ATOM 586 C VAL A 41 5.069 -0.020 -0.103 1.00 0.00 C ATOM 587 O VAL A 41 5.619 -1.006 -0.596 1.00 0.00 O ATOM 588 CB VAL A 41 2.807 -1.063 -0.268 1.00 0.00 C ATOM 589 CG1 VAL A 41 2.948 -1.855 -1.559 1.00 0.00 C ATOM 590 CG2 VAL A 41 3.279 -1.883 0.924 1.00 0.00 C ATOM 0 H VAL A 41 2.790 0.396 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 41 3.220 0.945 0.404 1.00 0.00 H new ATOM 0 HB VAL A 41 1.752 -0.830 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.387 -2.786 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.558 -1.268 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.000 -2.080 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.714 -2.814 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.340 -2.108 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.122 -1.315 1.841 1.00 0.00 H new ATOM 600 N LEU A 42 5.706 0.853 0.669 1.00 0.00 N ATOM 601 CA LEU A 42 7.121 0.700 0.990 1.00 0.00 C ATOM 602 C LEU A 42 7.384 -0.642 1.665 1.00 0.00 C ATOM 603 O LEU A 42 8.247 -1.407 1.234 1.00 0.00 O ATOM 604 CB LEU A 42 7.584 1.841 1.898 1.00 0.00 C ATOM 605 CG LEU A 42 7.722 3.212 1.236 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.672 4.095 2.030 1.00 0.00 C ATOM 607 CD2 LEU A 42 8.203 3.065 -0.200 1.00 0.00 C ATOM 0 H LEU A 42 5.266 1.674 1.084 1.00 0.00 H new ATOM 0 HA LEU A 42 7.686 0.733 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.880 1.929 2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.548 1.568 2.327 1.00 0.00 H new ATOM 0 HG LEU A 42 6.741 3.688 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.758 5.067 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.286 4.228 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.654 3.624 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.295 4.051 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.173 2.568 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.485 2.470 -0.765 1.00 0.00 H new ATOM 619 N SER A 43 6.634 -0.922 2.726 1.00 0.00 N ATOM 620 CA SER A 43 6.788 -2.171 3.463 1.00 0.00 C ATOM 621 C SER A 43 5.546 -2.465 4.299 1.00 0.00 C ATOM 622 O SER A 43 4.692 -1.598 4.488 1.00 0.00 O ATOM 623 CB SER A 43 8.021 -2.108 4.365 1.00 0.00 C ATOM 624 OG SER A 43 9.209 -2.320 3.621 1.00 0.00 O ATOM 0 H SER A 43 5.914 -0.301 3.095 1.00 0.00 H new ATOM 0 HA SER A 43 6.917 -2.977 2.740 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.065 -1.137 4.858 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.940 -2.860 5.149 1.00 0.00 H new ATOM 0 HG SER A 43 9.031 -2.166 2.670 1.00 0.00 H new ATOM 630 N ILE A 44 5.453 -3.693 4.798 1.00 0.00 N ATOM 631 CA ILE A 44 4.318 -4.101 5.615 1.00 0.00 C ATOM 632 C ILE A 44 4.777 -4.860 6.856 1.00 0.00 C ATOM 633 O ILE A 44 5.126 -6.039 6.784 1.00 0.00 O ATOM 634 CB ILE A 44 3.340 -4.986 4.819 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.770 -4.211 3.629 1.00 0.00 C ATOM 636 CG2 ILE A 44 2.220 -5.482 5.721 1.00 0.00 C ATOM 637 CD1 ILE A 44 2.420 -5.090 2.449 1.00 0.00 C ATOM 0 H ILE A 44 6.150 -4.422 4.650 1.00 0.00 H new ATOM 0 HA ILE A 44 3.805 -3.189 5.919 1.00 0.00 H new ATOM 0 HB ILE A 44 3.883 -5.851 4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.877 -3.674 3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.496 -3.462 3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.537 -6.106 5.144 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.643 -6.066 6.538 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.676 -4.630 6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.022 -4.475 1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.315 -5.608 2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.671 -5.822 2.750 1.00 0.00 H new ATOM 649 N THR A 45 4.774 -4.176 7.996 1.00 0.00 N ATOM 650 CA THR A 45 5.190 -4.784 9.253 1.00 0.00 C ATOM 651 C THR A 45 3.986 -5.132 10.121 1.00 0.00 C ATOM 652 O THR A 45 3.073 -4.324 10.285 1.00 0.00 O ATOM 653 CB THR A 45 6.127 -3.853 10.045 1.00 0.00 C ATOM 654 OG1 THR A 45 5.378 -2.775 10.617 1.00 0.00 O ATOM 655 CG2 THR A 45 7.222 -3.297 9.148 1.00 0.00 C ATOM 0 H THR A 45 4.488 -3.200 8.074 1.00 0.00 H new ATOM 0 HA THR A 45 5.728 -5.698 8.999 1.00 0.00 H new ATOM 0 HB THR A 45 6.592 -4.434 10.841 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.981 -2.189 11.120 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.871 -2.642 9.729 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.809 -4.119 8.738 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.772 -2.731 8.333 1.00 0.00 H new ATOM 663 N GLY A 46 3.990 -6.341 10.675 1.00 0.00 N ATOM 664 CA GLY A 46 2.893 -6.773 11.520 1.00 0.00 C ATOM 665 C GLY A 46 1.542 -6.354 10.975 1.00 0.00 C ATOM 666 O GLY A 46 1.296 -6.441 9.771 1.00 0.00 O ATOM 0 H GLY A 46 4.734 -7.028 10.553 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.921 -7.858 11.620 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.023 -6.358 12.519 1.00 0.00 H new ATOM 670 N CYS A 47 0.663 -5.900 11.862 1.00 0.00 N ATOM 671 CA CYS A 47 -0.672 -5.468 11.463 1.00 0.00 C ATOM 672 C CYS A 47 -0.653 -4.023 10.976 1.00 0.00 C ATOM 673 O CYS A 47 -1.673 -3.335 11.003 1.00 0.00 O ATOM 674 CB CYS A 47 -1.647 -5.613 12.632 1.00 0.00 C ATOM 675 SG CYS A 47 -1.677 -7.263 13.369 1.00 0.00 S ATOM 0 H CYS A 47 0.851 -5.822 12.862 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.003 -6.104 10.642 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.384 -4.888 13.402 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.650 -5.363 12.287 1.00 0.00 H new ATOM 0 HG CYS A 47 -2.530 -7.285 14.350 1.00 0.00 H new ATOM 681 N SER A 48 0.515 -3.568 10.534 1.00 0.00 N ATOM 682 CA SER A 48 0.668 -2.203 10.046 1.00 0.00 C ATOM 683 C SER A 48 1.416 -2.181 8.716 1.00 0.00 C ATOM 684 O SER A 48 2.047 -3.165 8.331 1.00 0.00 O ATOM 685 CB SER A 48 1.412 -1.351 11.076 1.00 0.00 C ATOM 686 OG SER A 48 2.627 -1.968 11.466 1.00 0.00 O ATOM 0 H SER A 48 1.369 -4.125 10.504 1.00 0.00 H new ATOM 0 HA SER A 48 -0.327 -1.786 9.890 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.619 -0.366 10.657 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.780 -1.199 11.951 1.00 0.00 H new ATOM 0 HG SER A 48 2.836 -2.699 10.847 1.00 0.00 H new ATOM 692 N ALA A 49 1.341 -1.052 8.020 1.00 0.00 N ATOM 693 CA ALA A 49 2.012 -0.900 6.735 1.00 0.00 C ATOM 694 C ALA A 49 2.530 0.522 6.551 1.00 0.00 C ATOM 695 O ALA A 49 2.167 1.427 7.302 1.00 0.00 O ATOM 696 CB ALA A 49 1.069 -1.272 5.600 1.00 0.00 C ATOM 0 H ALA A 49 0.822 -0.228 8.325 1.00 0.00 H new ATOM 0 HA ALA A 49 2.868 -1.575 6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.583 -1.154 4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.752 -2.308 5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.195 -0.620 5.624 1.00 0.00 H new ATOM 702 N ILE A 50 3.381 0.711 5.548 1.00 0.00 N ATOM 703 CA ILE A 50 3.949 2.023 5.265 1.00 0.00 C ATOM 704 C ILE A 50 3.975 2.300 3.766 1.00 0.00 C ATOM 705 O ILE A 50 4.620 1.581 3.002 1.00 0.00 O ATOM 706 CB ILE A 50 5.378 2.151 5.824 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.368 2.010 7.348 1.00 0.00 C ATOM 708 CG2 ILE A 50 5.991 3.482 5.414 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.739 2.131 7.975 1.00 0.00 C ATOM 0 H ILE A 50 3.692 -0.028 4.918 1.00 0.00 H new ATOM 0 HA ILE A 50 3.309 2.756 5.756 1.00 0.00 H new ATOM 0 HB ILE A 50 5.988 1.349 5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.715 2.774 7.771 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.940 1.043 7.613 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.001 3.557 5.817 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.029 3.546 4.327 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.383 4.298 5.804 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.656 2.021 9.056 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.390 1.351 7.580 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.161 3.108 7.741 1.00 0.00 H new ATOM 721 N LEU A 51 3.270 3.347 3.351 1.00 0.00 N ATOM 722 CA LEU A 51 3.213 3.722 1.942 1.00 0.00 C ATOM 723 C LEU A 51 4.007 4.999 1.686 1.00 0.00 C ATOM 724 O LEU A 51 4.267 5.775 2.605 1.00 0.00 O ATOM 725 CB LEU A 51 1.761 3.914 1.503 1.00 0.00 C ATOM 726 CG LEU A 51 0.926 2.640 1.370 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.234 2.315 2.685 1.00 0.00 C ATOM 728 CD2 LEU A 51 -0.094 2.785 0.250 1.00 0.00 C ATOM 0 H LEU A 51 2.730 3.951 3.970 1.00 0.00 H new ATOM 0 HA LEU A 51 3.658 2.916 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.270 4.573 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.758 4.428 0.542 1.00 0.00 H new ATOM 0 HG LEU A 51 1.594 1.815 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.355 1.405 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.983 2.167 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.422 3.140 2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.679 1.869 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.758 3.622 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.423 2.969 -0.692 1.00 0.00 H new ATOM 740 N ARG A 52 4.387 5.211 0.430 1.00 0.00 N ATOM 741 CA ARG A 52 5.150 6.394 0.052 1.00 0.00 C ATOM 742 C ARG A 52 4.431 7.178 -1.042 1.00 0.00 C ATOM 743 O ARG A 52 4.117 6.638 -2.103 1.00 0.00 O ATOM 744 CB ARG A 52 6.548 5.995 -0.426 1.00 0.00 C ATOM 745 CG ARG A 52 7.211 7.041 -1.307 1.00 0.00 C ATOM 746 CD ARG A 52 8.721 7.043 -1.127 1.00 0.00 C ATOM 747 NE ARG A 52 9.385 6.135 -2.059 1.00 0.00 N ATOM 748 CZ ARG A 52 9.667 6.451 -3.318 1.00 0.00 C ATOM 749 NH1 ARG A 52 9.345 7.647 -3.793 1.00 0.00 N ATOM 750 NH2 ARG A 52 10.273 5.571 -4.104 1.00 0.00 N ATOM 0 H ARG A 52 4.179 4.579 -0.343 1.00 0.00 H new ATOM 0 HA ARG A 52 5.243 7.032 0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.181 5.809 0.442 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.480 5.057 -0.978 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.968 6.846 -2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.813 8.027 -1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.102 8.054 -1.272 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.964 6.755 -0.104 1.00 0.00 H new ATOM 0 HE ARG A 52 9.646 5.207 -1.725 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.880 8.326 -3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.563 7.887 -4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.523 4.651 -3.742 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.489 5.815 -5.071 1.00 0.00 H new ATOM 764 N PHE A 53 4.173 8.454 -0.776 1.00 0.00 N ATOM 765 CA PHE A 53 3.490 9.313 -1.736 1.00 0.00 C ATOM 766 C PHE A 53 4.373 10.491 -2.137 1.00 0.00 C ATOM 767 O PHE A 53 5.326 10.833 -1.436 1.00 0.00 O ATOM 768 CB PHE A 53 2.173 9.824 -1.149 1.00 0.00 C ATOM 769 CG PHE A 53 1.184 8.732 -0.855 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.339 7.920 0.256 1.00 0.00 C ATOM 771 CD2 PHE A 53 0.099 8.519 -1.690 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.431 6.915 0.530 1.00 0.00 C ATOM 773 CE2 PHE A 53 -0.813 7.516 -1.421 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.646 6.712 -0.311 1.00 0.00 C ATOM 0 H PHE A 53 4.427 8.916 0.097 1.00 0.00 H new ATOM 0 HA PHE A 53 3.277 8.722 -2.627 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.382 10.371 -0.230 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.724 10.532 -1.846 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.180 8.074 0.916 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.036 9.144 -2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.563 6.289 1.400 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.656 7.361 -2.079 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.356 5.926 -0.101 1.00 0.00 H new ATOM 784 N ILE A 54 4.048 11.108 -3.269 1.00 0.00 N ATOM 785 CA ILE A 54 4.811 12.248 -3.762 1.00 0.00 C ATOM 786 C ILE A 54 4.626 13.464 -2.862 1.00 0.00 C ATOM 787 O ILE A 54 5.596 14.105 -2.459 1.00 0.00 O ATOM 788 CB ILE A 54 4.401 12.619 -5.200 1.00 0.00 C ATOM 789 CG1 ILE A 54 5.215 13.817 -5.692 1.00 0.00 C ATOM 790 CG2 ILE A 54 2.911 12.923 -5.264 1.00 0.00 C ATOM 791 CD1 ILE A 54 5.455 13.812 -7.186 1.00 0.00 C ATOM 0 H ILE A 54 3.263 10.838 -3.861 1.00 0.00 H new ATOM 0 HA ILE A 54 5.860 11.952 -3.757 1.00 0.00 H new ATOM 0 HB ILE A 54 4.608 11.770 -5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.696 14.736 -5.419 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.176 13.829 -5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.636 13.183 -6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.347 12.045 -4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.681 13.758 -4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.038 14.690 -7.464 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.002 12.911 -7.464 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.498 13.832 -7.708 1.00 0.00 H new ATOM 803 N ASN A 55 3.372 13.777 -2.549 1.00 0.00 N ATOM 804 CA ASN A 55 3.059 14.916 -1.694 1.00 0.00 C ATOM 805 C ASN A 55 1.910 14.586 -0.746 1.00 0.00 C ATOM 806 O ASN A 55 1.302 13.520 -0.841 1.00 0.00 O ATOM 807 CB ASN A 55 2.699 16.135 -2.546 1.00 0.00 C ATOM 808 CG ASN A 55 1.639 15.821 -3.584 1.00 0.00 C ATOM 809 OD1 ASN A 55 0.601 15.237 -3.272 1.00 0.00 O ATOM 810 ND2 ASN A 55 1.896 16.209 -4.828 1.00 0.00 N ATOM 0 H ASN A 55 2.557 13.258 -2.875 1.00 0.00 H new ATOM 0 HA ASN A 55 3.942 15.145 -1.098 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.343 16.936 -1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.595 16.503 -3.045 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.220 16.026 -5.569 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.769 16.690 -5.042 1.00 0.00 H new ATOM 817 N GLN A 56 1.619 15.508 0.165 1.00 0.00 N ATOM 818 CA GLN A 56 0.543 15.315 1.130 1.00 0.00 C ATOM 819 C GLN A 56 -0.777 15.025 0.423 1.00 0.00 C ATOM 820 O GLN A 56 -1.346 13.943 0.567 1.00 0.00 O ATOM 821 CB GLN A 56 0.398 16.551 2.019 1.00 0.00 C ATOM 822 CG GLN A 56 -0.391 16.295 3.293 1.00 0.00 C ATOM 823 CD GLN A 56 0.489 15.859 4.448 1.00 0.00 C ATOM 824 OE1 GLN A 56 1.550 16.437 4.687 1.00 0.00 O ATOM 825 NE2 GLN A 56 0.053 14.835 5.171 1.00 0.00 N ATOM 0 H GLN A 56 2.113 16.396 0.255 1.00 0.00 H new ATOM 0 HA GLN A 56 0.797 14.457 1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.390 16.917 2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.092 17.342 1.451 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.927 17.202 3.572 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.141 15.527 3.103 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.832 14.386 4.937 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.603 14.497 5.961 1.00 0.00 H new ATOM 834 N ASP A 57 -1.259 15.999 -0.342 1.00 0.00 N ATOM 835 CA ASP A 57 -2.512 15.849 -1.072 1.00 0.00 C ATOM 836 C ASP A 57 -2.695 14.411 -1.547 1.00 0.00 C ATOM 837 O ASP A 57 -3.633 13.727 -1.138 1.00 0.00 O ATOM 838 CB ASP A 57 -2.547 16.802 -2.268 1.00 0.00 C ATOM 839 CG ASP A 57 -3.961 17.126 -2.709 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.735 17.652 -1.881 1.00 0.00 O ATOM 841 OD2 ASP A 57 -4.294 16.854 -3.881 1.00 0.00 O ATOM 0 H ASP A 57 -0.801 16.901 -0.472 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.330 16.096 -0.396 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.030 17.726 -2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.003 16.356 -3.101 1.00 0.00 H new ATOM 846 N SER A 58 -1.793 13.959 -2.412 1.00 0.00 N ATOM 847 CA SER A 58 -1.858 12.604 -2.946 1.00 0.00 C ATOM 848 C SER A 58 -2.002 11.583 -1.822 1.00 0.00 C ATOM 849 O SER A 58 -2.760 10.620 -1.937 1.00 0.00 O ATOM 850 CB SER A 58 -0.606 12.297 -3.771 1.00 0.00 C ATOM 851 OG SER A 58 -0.709 12.840 -5.076 1.00 0.00 O ATOM 0 H SER A 58 -1.008 14.511 -2.758 1.00 0.00 H new ATOM 0 HA SER A 58 -2.735 12.536 -3.590 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.272 12.707 -3.272 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.463 11.218 -3.833 1.00 0.00 H new ATOM 0 HG SER A 58 0.104 12.632 -5.582 1.00 0.00 H new ATOM 857 N ALA A 59 -1.270 11.802 -0.735 1.00 0.00 N ATOM 858 CA ALA A 59 -1.317 10.903 0.412 1.00 0.00 C ATOM 859 C ALA A 59 -2.675 10.965 1.102 1.00 0.00 C ATOM 860 O ALA A 59 -3.172 9.957 1.604 1.00 0.00 O ATOM 861 CB ALA A 59 -0.207 11.243 1.395 1.00 0.00 C ATOM 0 H ALA A 59 -0.637 12.594 -0.624 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.168 9.885 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.254 10.564 2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.760 11.140 0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.330 12.269 1.742 1.00 0.00 H new ATOM 867 N GLU A 60 -3.269 12.154 1.125 1.00 0.00 N ATOM 868 CA GLU A 60 -4.569 12.346 1.756 1.00 0.00 C ATOM 869 C GLU A 60 -5.631 11.475 1.090 1.00 0.00 C ATOM 870 O GLU A 60 -6.182 10.566 1.711 1.00 0.00 O ATOM 871 CB GLU A 60 -4.983 13.818 1.685 1.00 0.00 C ATOM 872 CG GLU A 60 -3.982 14.763 2.327 1.00 0.00 C ATOM 873 CD GLU A 60 -4.589 16.110 2.671 1.00 0.00 C ATOM 874 OE1 GLU A 60 -5.455 16.158 3.569 1.00 0.00 O ATOM 875 OE2 GLU A 60 -4.199 17.115 2.041 1.00 0.00 O ATOM 0 H GLU A 60 -2.871 12.998 0.714 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.484 12.050 2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.117 14.099 0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.950 13.939 2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.585 14.305 3.233 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.141 14.910 1.650 1.00 0.00 H new ATOM 882 N ARG A 61 -5.913 11.761 -0.177 1.00 0.00 N ATOM 883 CA ARG A 61 -6.910 11.006 -0.927 1.00 0.00 C ATOM 884 C ARG A 61 -6.870 9.528 -0.548 1.00 0.00 C ATOM 885 O ARG A 61 -7.898 8.851 -0.544 1.00 0.00 O ATOM 886 CB ARG A 61 -6.675 11.164 -2.430 1.00 0.00 C ATOM 887 CG ARG A 61 -6.719 12.607 -2.905 1.00 0.00 C ATOM 888 CD ARG A 61 -6.840 12.693 -4.419 1.00 0.00 C ATOM 889 NE ARG A 61 -8.205 12.443 -4.874 1.00 0.00 N ATOM 890 CZ ARG A 61 -9.185 13.335 -4.782 1.00 0.00 C ATOM 891 NH1 ARG A 61 -8.952 14.529 -4.253 1.00 0.00 N ATOM 892 NH2 ARG A 61 -10.401 13.034 -5.218 1.00 0.00 N ATOM 0 H ARG A 61 -5.465 12.510 -0.706 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.894 11.402 -0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.705 10.736 -2.684 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.428 10.590 -2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.563 13.118 -2.442 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.816 13.125 -2.581 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.522 13.681 -4.753 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.167 11.969 -4.878 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.417 11.534 -5.285 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.019 14.764 -3.916 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.706 15.212 -4.184 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.584 12.117 -5.624 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.153 13.720 -5.147 1.00 0.00 H new ATOM 906 N ALA A 62 -5.678 9.036 -0.230 1.00 0.00 N ATOM 907 CA ALA A 62 -5.505 7.640 0.151 1.00 0.00 C ATOM 908 C ALA A 62 -5.759 7.443 1.642 1.00 0.00 C ATOM 909 O ALA A 62 -6.380 6.462 2.050 1.00 0.00 O ATOM 910 CB ALA A 62 -4.108 7.161 -0.216 1.00 0.00 C ATOM 0 H ALA A 62 -4.817 9.583 -0.229 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.236 7.046 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.993 6.117 0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.962 7.256 -1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.367 7.766 0.306 1.00 0.00 H new ATOM 916 N GLN A 63 -5.274 8.380 2.449 1.00 0.00 N ATOM 917 CA GLN A 63 -5.447 8.308 3.895 1.00 0.00 C ATOM 918 C GLN A 63 -6.919 8.441 4.274 1.00 0.00 C ATOM 919 O GLN A 63 -7.345 7.967 5.328 1.00 0.00 O ATOM 920 CB GLN A 63 -4.631 9.402 4.584 1.00 0.00 C ATOM 921 CG GLN A 63 -4.665 9.324 6.102 1.00 0.00 C ATOM 922 CD GLN A 63 -5.813 10.112 6.701 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.457 10.910 6.018 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.077 9.892 7.984 1.00 0.00 N ATOM 0 H GLN A 63 -4.758 9.198 2.126 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.090 7.334 4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.596 9.337 4.249 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.007 10.376 4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.747 8.281 6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.723 9.700 6.503 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.518 9.222 8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.839 10.393 8.441 1.00 0.00 H new ATOM 933 N LYS A 64 -7.691 9.088 3.408 1.00 0.00 N ATOM 934 CA LYS A 64 -9.116 9.283 3.650 1.00 0.00 C ATOM 935 C LYS A 64 -9.930 8.137 3.057 1.00 0.00 C ATOM 936 O LYS A 64 -11.052 7.871 3.491 1.00 0.00 O ATOM 937 CB LYS A 64 -9.578 10.614 3.053 1.00 0.00 C ATOM 938 CG LYS A 64 -9.517 10.653 1.536 1.00 0.00 C ATOM 939 CD LYS A 64 -10.820 10.180 0.913 1.00 0.00 C ATOM 940 CE LYS A 64 -11.879 11.271 0.938 1.00 0.00 C ATOM 941 NZ LYS A 64 -12.897 11.081 -0.132 1.00 0.00 N ATOM 0 H LYS A 64 -7.354 9.487 2.532 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.277 9.300 4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.602 10.810 3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.959 11.417 3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.303 11.669 1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.697 10.025 1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.641 9.869 -0.116 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.185 9.305 1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.371 11.277 1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.402 12.243 0.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.601 11.845 -0.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.431 11.101 -1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.371 10.164 -0.002 1.00 0.00 H new ATOM 955 N ARG A 65 -9.359 7.462 2.066 1.00 0.00 N ATOM 956 CA ARG A 65 -10.032 6.345 1.414 1.00 0.00 C ATOM 957 C ARG A 65 -9.773 5.042 2.165 1.00 0.00 C ATOM 958 O ARG A 65 -10.690 4.449 2.733 1.00 0.00 O ATOM 959 CB ARG A 65 -9.561 6.213 -0.035 1.00 0.00 C ATOM 960 CG ARG A 65 -9.706 4.808 -0.598 1.00 0.00 C ATOM 961 CD ARG A 65 -11.157 4.352 -0.590 1.00 0.00 C ATOM 962 NE ARG A 65 -11.432 3.382 -1.646 1.00 0.00 N ATOM 963 CZ ARG A 65 -11.398 3.677 -2.941 1.00 0.00 C ATOM 964 NH1 ARG A 65 -11.103 4.908 -3.337 1.00 0.00 N ATOM 965 NH2 ARG A 65 -11.660 2.740 -3.843 1.00 0.00 N ATOM 0 H ARG A 65 -8.431 7.669 1.696 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.104 6.544 1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.129 6.905 -0.657 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.515 6.514 -0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.321 4.782 -1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.103 4.116 -0.011 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.393 3.910 0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.809 5.217 -0.713 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.663 2.426 -1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.901 5.631 -2.647 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.078 5.131 -4.332 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.888 1.792 -3.542 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.634 2.967 -4.837 1.00 0.00 H new ATOM 979 N MET A 66 -8.519 4.602 2.161 1.00 0.00 N ATOM 980 CA MET A 66 -8.140 3.370 2.843 1.00 0.00 C ATOM 981 C MET A 66 -8.716 3.329 4.254 1.00 0.00 C ATOM 982 O MET A 66 -9.319 2.336 4.659 1.00 0.00 O ATOM 983 CB MET A 66 -6.616 3.239 2.897 1.00 0.00 C ATOM 984 CG MET A 66 -5.993 2.838 1.570 1.00 0.00 C ATOM 985 SD MET A 66 -4.318 2.197 1.754 1.00 0.00 S ATOM 986 CE MET A 66 -3.359 3.559 1.095 1.00 0.00 C ATOM 0 H MET A 66 -7.749 5.080 1.693 1.00 0.00 H new ATOM 0 HA MET A 66 -8.550 2.532 2.279 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.189 4.189 3.217 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.350 2.500 3.652 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.617 2.082 1.094 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.976 3.702 0.905 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.474 3.713 1.712 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.054 3.329 0.074 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.965 4.465 1.097 1.00 0.00 H new ATOM 996 N GLU A 67 -8.524 4.414 4.998 1.00 0.00 N ATOM 997 CA GLU A 67 -9.025 4.501 6.365 1.00 0.00 C ATOM 998 C GLU A 67 -10.433 3.921 6.467 1.00 0.00 C ATOM 999 O GLU A 67 -10.772 3.256 7.444 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.024 5.955 6.841 1.00 0.00 C ATOM 1001 CG GLU A 67 -10.017 6.837 6.104 1.00 0.00 C ATOM 1002 CD GLU A 67 -10.200 8.189 6.766 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -9.182 8.829 7.102 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -11.363 8.607 6.948 1.00 0.00 O ATOM 0 H GLU A 67 -8.026 5.244 4.677 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.363 3.917 7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.250 5.980 7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.023 6.368 6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.677 6.982 5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.980 6.329 6.052 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.248 4.180 5.449 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.619 3.686 5.424 1.00 0.00 C ATOM 1013 C ASN A 68 -12.712 2.377 4.646 1.00 0.00 C ATOM 1014 O ASN A 68 -13.697 1.648 4.754 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.548 4.730 4.800 1.00 0.00 C ATOM 1016 CG ASN A 68 -14.084 5.712 5.824 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -13.785 6.905 5.771 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -14.881 5.213 6.762 1.00 0.00 N ATOM 0 H ASN A 68 -10.982 4.729 4.631 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.930 3.500 6.452 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.009 5.275 4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.382 4.225 4.313 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -15.272 5.826 7.477 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.102 4.217 6.767 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.678 2.087 3.862 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.643 0.866 3.066 1.00 0.00 C ATOM 1027 C GLU A 69 -11.586 -0.368 3.963 1.00 0.00 C ATOM 1028 O GLU A 69 -11.472 -0.255 5.184 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.439 0.880 2.122 1.00 0.00 C ATOM 1030 CG GLU A 69 -10.543 -0.126 0.988 1.00 0.00 C ATOM 1031 CD GLU A 69 -11.962 -0.284 0.476 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -12.532 0.716 -0.009 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -12.502 -1.406 0.560 1.00 0.00 O ATOM 0 H GLU A 69 -10.855 2.680 3.761 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.558 0.822 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.330 1.879 1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.535 0.675 2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.898 0.189 0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.175 -1.093 1.330 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.665 -1.543 3.349 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.621 -2.798 4.091 1.00 0.00 C ATOM 1042 C ASP A 70 -10.678 -3.792 3.421 1.00 0.00 C ATOM 1043 O ASP A 70 -11.088 -4.570 2.560 1.00 0.00 O ATOM 1044 CB ASP A 70 -13.023 -3.399 4.199 1.00 0.00 C ATOM 1045 CG ASP A 70 -13.025 -4.739 4.910 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -12.276 -5.641 4.479 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -13.775 -4.884 5.898 1.00 0.00 O ATOM 0 H ASP A 70 -11.760 -1.653 2.339 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.246 -2.588 5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.672 -2.706 4.734 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.441 -3.520 3.200 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.411 -3.760 3.823 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.409 -4.659 3.263 1.00 0.00 C ATOM 1054 C VAL A 71 -8.973 -6.062 3.074 1.00 0.00 C ATOM 1055 O VAL A 71 -8.812 -6.671 2.016 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.159 -4.736 4.160 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -7.553 -5.030 5.600 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.192 -5.787 3.638 1.00 0.00 C ATOM 0 H VAL A 71 -9.055 -3.121 4.534 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.126 -4.251 2.293 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.656 -3.769 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -6.657 -5.081 6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.204 -4.237 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.080 -5.983 5.646 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.315 -5.827 4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.682 -6.761 3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.885 -5.527 2.625 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.635 -6.572 4.108 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.223 -7.905 4.056 1.00 0.00 C ATOM 1070 C PHE A 72 -11.134 -8.144 5.257 1.00 0.00 C ATOM 1071 O PHE A 72 -10.669 -8.257 6.390 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.125 -8.969 4.016 1.00 0.00 C ATOM 1073 CG PHE A 72 -8.687 -9.326 2.624 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.588 -9.857 1.715 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.374 -9.131 2.225 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -9.188 -10.186 0.433 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -6.969 -9.458 0.945 1.00 0.00 C ATOM 1078 CZ PHE A 72 -7.877 -9.987 0.048 1.00 0.00 C ATOM 0 H PHE A 72 -9.777 -6.082 4.991 1.00 0.00 H new ATOM 0 HA PHE A 72 -10.821 -7.976 3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.263 -8.611 4.579 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.483 -9.868 4.518 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.614 -10.016 2.011 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.660 -8.719 2.922 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.900 -10.598 -0.266 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.943 -9.300 0.646 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.562 -10.244 -0.952 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.436 -8.220 4.999 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.393 -8.444 6.067 1.00 0.00 C ATOM 1090 C GLY A 73 -13.044 -7.678 7.328 1.00 0.00 C ATOM 1091 O GLY A 73 -13.432 -8.069 8.427 1.00 0.00 O ATOM 0 H GLY A 73 -12.845 -8.130 4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.386 -8.148 5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.438 -9.509 6.293 1.00 0.00 H new ATOM 1095 N ASN A 74 -12.308 -6.583 7.168 1.00 0.00 N ATOM 1096 CA ASN A 74 -11.905 -5.761 8.303 1.00 0.00 C ATOM 1097 C ASN A 74 -11.534 -4.352 7.850 1.00 0.00 C ATOM 1098 O ASN A 74 -11.088 -4.149 6.721 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.721 -6.403 9.030 1.00 0.00 C ATOM 1100 CG ASN A 74 -9.984 -5.418 9.917 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -10.517 -4.954 10.925 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.751 -5.095 9.544 1.00 0.00 N ATOM 0 H ASN A 74 -11.979 -6.245 6.264 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.750 -5.693 8.988 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.078 -7.236 9.635 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -10.028 -6.816 8.297 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.205 -4.437 10.101 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.350 -5.505 8.701 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.721 -3.382 8.739 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.407 -1.992 8.431 1.00 0.00 C ATOM 1111 C ARG A 75 -9.980 -1.651 8.851 1.00 0.00 C ATOM 1112 O ARG A 75 -9.522 -2.061 9.918 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.394 -1.056 9.132 1.00 0.00 C ATOM 1114 CG ARG A 75 -12.019 0.413 9.028 1.00 0.00 C ATOM 1115 CD ARG A 75 -11.132 0.845 10.185 1.00 0.00 C ATOM 1116 NE ARG A 75 -11.912 1.313 11.328 1.00 0.00 N ATOM 1117 CZ ARG A 75 -11.440 1.365 12.568 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -10.197 0.980 12.825 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -12.211 1.804 13.555 1.00 0.00 N ATOM 0 H ARG A 75 -12.088 -3.533 9.678 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.492 -1.857 7.353 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.386 -1.200 8.703 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.459 -1.332 10.184 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.502 0.592 8.085 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.924 1.021 9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.504 0.009 10.493 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.464 1.639 9.852 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.872 1.617 11.165 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.601 0.643 12.069 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.837 1.021 13.779 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.167 2.102 13.361 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.847 1.844 14.507 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.284 -0.899 8.006 1.00 0.00 N ATOM 1134 CA ILE A 76 -7.910 -0.503 8.290 1.00 0.00 C ATOM 1135 C ILE A 76 -7.834 0.965 8.694 1.00 0.00 C ATOM 1136 O ILE A 76 -8.711 1.760 8.353 1.00 0.00 O ATOM 1137 CB ILE A 76 -6.994 -0.737 7.075 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.539 -0.003 5.848 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -6.860 -2.226 6.791 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.644 -0.110 4.633 1.00 0.00 C ATOM 0 H ILE A 76 -9.649 -0.551 7.119 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.567 -1.124 9.118 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.005 -0.340 7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.522 -0.404 5.602 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.677 1.049 6.096 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.209 -2.375 5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.431 -2.725 7.660 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.843 -2.646 6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.093 0.434 3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.668 0.318 4.861 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.526 -1.158 4.359 1.00 0.00 H new ATOM 1152 N ILE A 77 -6.779 1.319 9.421 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.587 2.693 9.869 1.00 0.00 C ATOM 1154 C ILE A 77 -5.341 3.307 9.241 1.00 0.00 C ATOM 1155 O ILE A 77 -4.241 2.767 9.362 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.468 2.773 11.403 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -7.652 2.067 12.066 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.391 4.225 11.852 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.463 1.833 13.548 1.00 0.00 C ATOM 0 H ILE A 77 -6.045 0.674 9.712 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.465 3.255 9.551 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.551 2.269 11.709 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.552 2.662 11.912 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.816 1.109 11.573 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.307 4.266 12.938 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.518 4.699 11.403 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.292 4.751 11.537 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.341 1.329 13.952 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.582 1.212 13.709 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.330 2.790 14.053 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.520 4.440 8.570 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.410 5.130 7.924 1.00 0.00 C ATOM 1173 C VAL A 78 -4.078 6.432 8.645 1.00 0.00 C ATOM 1174 O VAL A 78 -4.929 7.311 8.782 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.722 5.438 6.448 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.460 5.861 5.712 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.363 4.233 5.777 1.00 0.00 C ATOM 0 H VAL A 78 -6.424 4.900 8.460 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.551 4.461 7.973 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.430 6.266 6.409 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.700 6.074 4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.048 6.755 6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.726 5.057 5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.577 4.468 4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.681 3.384 5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.291 3.982 6.290 1.00 0.00 H new ATOM 1187 N SER A 79 -2.836 6.549 9.103 1.00 0.00 N ATOM 1188 CA SER A 79 -2.392 7.743 9.813 1.00 0.00 C ATOM 1189 C SER A 79 -1.067 8.248 9.251 1.00 0.00 C ATOM 1190 O SER A 79 -0.242 7.467 8.777 1.00 0.00 O ATOM 1191 CB SER A 79 -2.247 7.449 11.307 1.00 0.00 C ATOM 1192 OG SER A 79 -2.515 8.605 12.082 1.00 0.00 O ATOM 0 H SER A 79 -2.119 5.832 8.995 1.00 0.00 H new ATOM 0 HA SER A 79 -3.145 8.519 9.674 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.931 6.650 11.592 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.238 7.094 11.515 1.00 0.00 H new ATOM 0 HG SER A 79 -2.417 8.391 13.033 1.00 0.00 H new ATOM 1198 N PHE A 80 -0.869 9.561 9.307 1.00 0.00 N ATOM 1199 CA PHE A 80 0.355 10.173 8.803 1.00 0.00 C ATOM 1200 C PHE A 80 1.482 10.053 9.824 1.00 0.00 C ATOM 1201 O PHE A 80 2.661 10.033 9.467 1.00 0.00 O ATOM 1202 CB PHE A 80 0.113 11.645 8.464 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.713 11.847 7.226 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -0.185 11.579 5.973 1.00 0.00 C ATOM 1205 CD2 PHE A 80 -2.018 12.305 7.315 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -0.942 11.764 4.832 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -2.780 12.491 6.177 1.00 0.00 C ATOM 1208 CZ PHE A 80 -2.241 12.221 4.934 1.00 0.00 C ATOM 0 H PHE A 80 -1.541 10.222 9.697 1.00 0.00 H new ATOM 0 HA PHE A 80 0.650 9.643 7.897 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.385 12.126 9.306 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.074 12.143 8.335 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.830 11.221 5.887 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.444 12.519 8.284 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.518 11.551 3.862 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.796 12.847 6.259 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.835 12.367 4.044 1.00 0.00 H new ATOM 1218 N THR A 81 1.113 9.975 11.099 1.00 0.00 N ATOM 1219 CA THR A 81 2.091 9.859 12.173 1.00 0.00 C ATOM 1220 C THR A 81 2.114 8.447 12.746 1.00 0.00 C ATOM 1221 O THR A 81 1.135 7.704 12.669 1.00 0.00 O ATOM 1222 CB THR A 81 1.800 10.858 13.309 1.00 0.00 C ATOM 1223 OG1 THR A 81 0.406 10.834 13.636 1.00 0.00 O ATOM 1224 CG2 THR A 81 2.208 12.267 12.908 1.00 0.00 C ATOM 0 H THR A 81 0.143 9.990 11.413 1.00 0.00 H new ATOM 0 HA THR A 81 3.065 10.088 11.739 1.00 0.00 H new ATOM 0 HB THR A 81 2.383 10.563 14.182 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.229 11.470 14.360 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.993 12.955 13.726 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.275 12.288 12.687 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.649 12.570 12.023 1.00 0.00 H new ATOM 1232 N PRO A 82 3.256 8.066 13.338 1.00 0.00 N ATOM 1233 CA PRO A 82 3.432 6.740 13.938 1.00 0.00 C ATOM 1234 C PRO A 82 2.602 6.561 15.204 1.00 0.00 C ATOM 1235 O PRO A 82 2.287 7.531 15.894 1.00 0.00 O ATOM 1236 CB PRO A 82 4.927 6.695 14.267 1.00 0.00 C ATOM 1237 CG PRO A 82 5.322 8.123 14.426 1.00 0.00 C ATOM 1238 CD PRO A 82 4.462 8.900 13.467 1.00 0.00 C ATOM 0 HA PRO A 82 3.104 5.944 13.270 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.115 6.128 15.179 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.494 6.214 13.470 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.166 8.459 15.451 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.380 8.263 14.203 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.225 9.892 13.852 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.958 9.041 12.507 1.00 0.00 H new ATOM 1246 N LYS A 83 2.251 5.316 15.506 1.00 0.00 N ATOM 1247 CA LYS A 83 1.459 5.009 16.690 1.00 0.00 C ATOM 1248 C LYS A 83 2.355 4.828 17.912 1.00 0.00 C ATOM 1249 O LYS A 83 3.571 4.697 17.787 1.00 0.00 O ATOM 1250 CB LYS A 83 0.630 3.743 16.461 1.00 0.00 C ATOM 1251 CG LYS A 83 -0.382 3.874 15.336 1.00 0.00 C ATOM 1252 CD LYS A 83 -1.707 4.423 15.839 1.00 0.00 C ATOM 1253 CE LYS A 83 -2.596 3.318 16.387 1.00 0.00 C ATOM 1254 NZ LYS A 83 -3.592 3.841 17.362 1.00 0.00 N ATOM 0 H LYS A 83 2.503 4.502 14.946 1.00 0.00 H new ATOM 0 HA LYS A 83 0.787 5.847 16.874 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.302 2.914 16.239 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.106 3.491 17.383 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.015 4.532 14.563 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.542 2.900 14.874 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.523 5.163 16.618 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.221 4.936 15.026 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.116 2.828 15.564 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.978 2.560 16.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.179 3.057 17.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.096 4.286 18.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.198 4.545 16.895 1.00 0.00 H new