USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 610 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 58 ASN : amide:sc= -0.769 K(o=-0.77,f=-6.6!) USER MOD Set 1.2: A 81 THR OG1 : rot 100:sc= 0 USER MOD Set 2.1: A 32 GLN :FLIP amide:sc= 0.371 F(o=-1.2,f=-0.34) USER MOD Set 2.2: A 67 HIS : no HE2:sc= -0.711 K(o=-0.34,f=-2.8) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.619 K(o=-0.62,f=-4!) USER MOD Single : A 19 TYR OH : rot 48:sc= 0.322 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -4.07! C(o=-4.1!,f=-8.8!) USER MOD Single : A 30 LYS NZ :NH3+ -124:sc= 0.877 (180deg=-1.44!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -101:sc= -0.56 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.6 K(o=0.6,f=-5.3!) USER MOD Single : A 51 ASN : amide:sc= -0.532 X(o=-0.53,f=-0.53) USER MOD Single : A 60 LYS NZ :NH3+ 142:sc= 1.22 (180deg=0.477) USER MOD Single : A 61 SER OG : rot 43:sc= 0.0307 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= -0.0743 (180deg=-0.0743) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.333 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -6.923 -6.042 -8.497 1.00 0.00 N ATOM 60 CA GLY A 7 -6.045 -5.210 -7.694 1.00 0.00 C ATOM 61 C GLY A 7 -5.621 -3.948 -8.418 1.00 0.00 C ATOM 62 O GLY A 7 -4.996 -4.011 -9.476 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.552 -4.941 -6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.159 -5.782 -7.418 1.00 0.00 H new ATOM 66 N ARG A 8 -5.963 -2.797 -7.847 1.00 0.00 N ATOM 67 CA ARG A 8 -5.617 -1.514 -8.447 1.00 0.00 C ATOM 68 C ARG A 8 -4.234 -1.057 -7.990 1.00 0.00 C ATOM 69 O ARG A 8 -3.804 -1.361 -6.878 1.00 0.00 O ATOM 70 CB ARG A 8 -6.662 -0.458 -8.082 1.00 0.00 C ATOM 71 CG ARG A 8 -6.678 -0.103 -6.604 1.00 0.00 C ATOM 72 CD ARG A 8 -5.724 1.041 -6.295 1.00 0.00 C ATOM 73 NE ARG A 8 -6.026 2.233 -7.083 1.00 0.00 N ATOM 74 CZ ARG A 8 -7.108 2.981 -6.898 1.00 0.00 C ATOM 75 NH1 ARG A 8 -7.986 2.662 -5.958 1.00 0.00 N ATOM 76 NH2 ARG A 8 -7.313 4.051 -7.655 1.00 0.00 N ATOM 0 H ARG A 8 -6.479 -2.727 -6.970 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.601 -1.639 -9.530 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.472 0.445 -8.662 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.649 -0.820 -8.371 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.689 0.175 -6.306 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.401 -0.978 -6.016 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.781 1.284 -5.234 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.701 0.724 -6.495 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.370 2.506 -7.815 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.832 1.840 -5.374 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.816 3.238 -5.818 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.640 4.300 -8.380 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.144 4.625 -7.512 1.00 0.00 H new ATOM 90 N VAL A 9 -3.543 -0.324 -8.858 1.00 0.00 N ATOM 91 CA VAL A 9 -2.210 0.176 -8.544 1.00 0.00 C ATOM 92 C VAL A 9 -2.271 1.596 -7.993 1.00 0.00 C ATOM 93 O VAL A 9 -3.081 2.411 -8.435 1.00 0.00 O ATOM 94 CB VAL A 9 -1.297 0.157 -9.785 1.00 0.00 C ATOM 95 CG1 VAL A 9 0.105 0.622 -9.423 1.00 0.00 C ATOM 96 CG2 VAL A 9 -1.265 -1.233 -10.401 1.00 0.00 C ATOM 0 H VAL A 9 -3.884 -0.064 -9.783 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.794 -0.487 -7.785 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.703 0.847 -10.524 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.736 0.602 -10.312 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.062 1.638 -9.032 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.524 -0.041 -8.666 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.615 -1.228 -11.276 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.884 -1.946 -9.670 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.273 -1.522 -10.699 1.00 0.00 H new ATOM 106 N VAL A 10 -1.408 1.887 -7.025 1.00 0.00 N ATOM 107 CA VAL A 10 -1.363 3.210 -6.413 1.00 0.00 C ATOM 108 C VAL A 10 0.048 3.785 -6.453 1.00 0.00 C ATOM 109 O VAL A 10 1.022 3.057 -6.647 1.00 0.00 O ATOM 110 CB VAL A 10 -1.848 3.170 -4.952 1.00 0.00 C ATOM 111 CG1 VAL A 10 -1.861 4.569 -4.355 1.00 0.00 C ATOM 112 CG2 VAL A 10 -3.226 2.532 -4.866 1.00 0.00 C ATOM 0 H VAL A 10 -0.730 1.225 -6.648 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.030 3.849 -6.991 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.154 2.561 -4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.206 4.521 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.854 4.985 -4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.532 5.205 -4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.553 2.512 -3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.933 3.113 -5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.180 1.514 -5.252 1.00 0.00 H new ATOM 122 N VAL A 11 0.152 5.097 -6.268 1.00 0.00 N ATOM 123 CA VAL A 11 1.445 5.771 -6.281 1.00 0.00 C ATOM 124 C VAL A 11 1.496 6.883 -5.238 1.00 0.00 C ATOM 125 O VAL A 11 0.516 7.600 -5.032 1.00 0.00 O ATOM 126 CB VAL A 11 1.752 6.369 -7.667 1.00 0.00 C ATOM 127 CG1 VAL A 11 3.066 7.135 -7.639 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.787 5.274 -8.723 1.00 0.00 C ATOM 0 H VAL A 11 -0.644 5.715 -6.107 1.00 0.00 H new ATOM 0 HA VAL A 11 2.197 5.018 -6.043 1.00 0.00 H new ATOM 0 HB VAL A 11 0.957 7.068 -7.926 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.266 7.550 -8.627 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.000 7.944 -6.912 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.875 6.460 -7.358 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.005 5.714 -9.696 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.561 4.550 -8.470 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.820 4.773 -8.760 1.00 0.00 H new ATOM 138 N ILE A 12 2.644 7.020 -4.584 1.00 0.00 N ATOM 139 CA ILE A 12 2.823 8.045 -3.563 1.00 0.00 C ATOM 140 C ILE A 12 4.242 8.602 -3.587 1.00 0.00 C ATOM 141 O ILE A 12 5.193 7.896 -3.923 1.00 0.00 O ATOM 142 CB ILE A 12 2.522 7.497 -2.155 1.00 0.00 C ATOM 143 CG1 ILE A 12 1.271 6.616 -2.184 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.349 8.640 -1.167 1.00 0.00 C ATOM 145 CD1 ILE A 12 1.140 5.713 -0.977 1.00 0.00 C ATOM 0 H ILE A 12 3.464 6.434 -4.743 1.00 0.00 H new ATOM 0 HA ILE A 12 2.117 8.844 -3.791 1.00 0.00 H new ATOM 0 HB ILE A 12 3.365 6.888 -1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.389 7.253 -2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.288 6.004 -3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.137 8.236 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.265 9.230 -1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.521 9.274 -1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.231 5.118 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.004 5.051 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.091 6.319 -0.073 1.00 0.00 H new ATOM 157 N LYS A 13 4.378 9.874 -3.226 1.00 0.00 N ATOM 158 CA LYS A 13 5.682 10.527 -3.202 1.00 0.00 C ATOM 159 C LYS A 13 5.947 11.162 -1.841 1.00 0.00 C ATOM 160 O LYS A 13 5.279 12.119 -1.450 1.00 0.00 O ATOM 161 CB LYS A 13 5.761 11.593 -4.298 1.00 0.00 C ATOM 162 CG LYS A 13 4.901 11.282 -5.511 1.00 0.00 C ATOM 163 CD LYS A 13 3.498 11.845 -5.359 1.00 0.00 C ATOM 164 CE LYS A 13 3.471 13.347 -5.602 1.00 0.00 C ATOM 165 NZ LYS A 13 2.273 13.986 -4.990 1.00 0.00 N ATOM 0 H LYS A 13 3.601 10.473 -2.946 1.00 0.00 H new ATOM 0 HA LYS A 13 6.444 9.769 -3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.455 12.553 -3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.798 11.699 -4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.366 11.698 -6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.847 10.203 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.828 11.350 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.125 11.631 -4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.374 13.798 -5.190 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.479 13.542 -6.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.291 15.009 -5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.411 13.574 -5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.279 13.822 -3.963 1.00 0.00 H new ATOM 179 N LYS A 14 6.928 10.625 -1.124 1.00 0.00 N ATOM 180 CA LYS A 14 7.284 11.140 0.193 1.00 0.00 C ATOM 181 C LYS A 14 7.102 12.653 0.253 1.00 0.00 C ATOM 182 O LYS A 14 7.313 13.353 -0.736 1.00 0.00 O ATOM 183 CB LYS A 14 8.732 10.776 0.531 1.00 0.00 C ATOM 184 CG LYS A 14 8.986 10.608 2.019 1.00 0.00 C ATOM 185 CD LYS A 14 10.149 9.666 2.283 1.00 0.00 C ATOM 186 CE LYS A 14 9.714 8.210 2.212 1.00 0.00 C ATOM 187 NZ LYS A 14 9.247 7.706 3.533 1.00 0.00 N ATOM 0 H LYS A 14 7.491 9.833 -1.433 1.00 0.00 H new ATOM 0 HA LYS A 14 6.620 10.683 0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.994 9.850 0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.393 11.552 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.195 11.580 2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.088 10.223 2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.938 9.847 1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.571 9.873 3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.913 8.105 1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.547 7.599 1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.959 6.711 3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.019 7.782 4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.436 8.273 3.854 1.00 0.00 H new ATOM 201 N GLY A 15 6.709 13.151 1.421 1.00 0.00 N ATOM 202 CA GLY A 15 6.506 14.579 1.589 1.00 0.00 C ATOM 203 C GLY A 15 7.257 15.135 2.782 1.00 0.00 C ATOM 204 O GLY A 15 8.460 15.382 2.708 1.00 0.00 O ATOM 0 H GLY A 15 6.527 12.592 2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.829 15.097 0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.441 14.780 1.708 1.00 0.00 H new ATOM 208 N SER A 16 6.544 15.334 3.887 1.00 0.00 N ATOM 209 CA SER A 16 7.149 15.870 5.100 1.00 0.00 C ATOM 210 C SER A 16 7.123 14.837 6.222 1.00 0.00 C ATOM 211 O SER A 16 8.121 14.629 6.912 1.00 0.00 O ATOM 212 CB SER A 16 6.417 17.139 5.543 1.00 0.00 C ATOM 213 OG SER A 16 7.187 17.871 6.480 1.00 0.00 O ATOM 0 H SER A 16 5.547 15.132 3.966 1.00 0.00 H new ATOM 0 HA SER A 16 8.188 16.116 4.880 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.206 17.763 4.674 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.457 16.873 5.985 1.00 0.00 H new ATOM 0 HG SER A 16 6.698 18.678 6.746 1.00 0.00 H new ATOM 219 N ASN A 17 5.974 14.193 6.398 1.00 0.00 N ATOM 220 CA ASN A 17 5.817 13.181 7.437 1.00 0.00 C ATOM 221 C ASN A 17 5.769 11.782 6.831 1.00 0.00 C ATOM 222 O ASN A 17 4.936 10.959 7.207 1.00 0.00 O ATOM 223 CB ASN A 17 4.544 13.442 8.244 1.00 0.00 C ATOM 224 CG ASN A 17 4.327 14.918 8.520 1.00 0.00 C ATOM 225 OD1 ASN A 17 5.248 15.726 8.396 1.00 0.00 O ATOM 226 ND2 ASN A 17 3.105 15.276 8.896 1.00 0.00 N ATOM 0 H ASN A 17 5.138 14.353 5.835 1.00 0.00 H new ATOM 0 HA ASN A 17 6.679 13.241 8.101 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.685 13.047 7.701 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.599 12.903 9.190 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.899 16.255 9.095 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.372 14.572 8.986 1.00 0.00 H new ATOM 233 N GLY A 18 6.671 11.519 5.889 1.00 0.00 N ATOM 234 CA GLY A 18 6.716 10.219 5.246 1.00 0.00 C ATOM 235 C GLY A 18 5.729 10.105 4.101 1.00 0.00 C ATOM 236 O GLY A 18 5.695 10.958 3.214 1.00 0.00 O ATOM 0 H GLY A 18 7.371 12.184 5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.724 10.036 4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.504 9.445 5.983 1.00 0.00 H new ATOM 240 N TYR A 19 4.924 9.048 4.120 1.00 0.00 N ATOM 241 CA TYR A 19 3.935 8.823 3.073 1.00 0.00 C ATOM 242 C TYR A 19 2.536 9.194 3.556 1.00 0.00 C ATOM 243 O TYR A 19 1.877 10.058 2.980 1.00 0.00 O ATOM 244 CB TYR A 19 3.960 7.360 2.624 1.00 0.00 C ATOM 245 CG TYR A 19 5.142 7.016 1.747 1.00 0.00 C ATOM 246 CD1 TYR A 19 5.431 7.763 0.612 1.00 0.00 C ATOM 247 CD2 TYR A 19 5.972 5.945 2.055 1.00 0.00 C ATOM 248 CE1 TYR A 19 6.510 7.452 -0.193 1.00 0.00 C ATOM 249 CE2 TYR A 19 7.054 5.627 1.256 1.00 0.00 C ATOM 250 CZ TYR A 19 7.318 6.383 0.134 1.00 0.00 C ATOM 251 OH TYR A 19 8.395 6.070 -0.665 1.00 0.00 O ATOM 0 H TYR A 19 4.937 8.334 4.849 1.00 0.00 H new ATOM 0 HA TYR A 19 4.189 9.461 2.226 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.973 6.718 3.505 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.040 7.139 2.083 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.801 8.602 0.354 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.768 5.351 2.934 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.719 8.042 -1.073 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.689 4.791 1.509 1.00 0.00 H new ATOM 0 HH TYR A 19 8.907 6.883 -0.857 1.00 0.00 H new ATOM 261 N GLY A 20 2.090 8.534 4.621 1.00 0.00 N ATOM 262 CA GLY A 20 0.773 8.807 5.165 1.00 0.00 C ATOM 263 C GLY A 20 -0.113 7.578 5.186 1.00 0.00 C ATOM 264 O GLY A 20 -1.320 7.669 4.961 1.00 0.00 O ATOM 0 H GLY A 20 2.618 7.815 5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.875 9.194 6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.293 9.586 4.573 1.00 0.00 H new ATOM 268 N PHE A 21 0.487 6.423 5.456 1.00 0.00 N ATOM 269 CA PHE A 21 -0.256 5.169 5.503 1.00 0.00 C ATOM 270 C PHE A 21 0.495 4.122 6.322 1.00 0.00 C ATOM 271 O PHE A 21 1.707 3.960 6.179 1.00 0.00 O ATOM 272 CB PHE A 21 -0.502 4.644 4.087 1.00 0.00 C ATOM 273 CG PHE A 21 0.720 4.049 3.447 1.00 0.00 C ATOM 274 CD1 PHE A 21 1.721 4.864 2.943 1.00 0.00 C ATOM 275 CD2 PHE A 21 0.868 2.675 3.350 1.00 0.00 C ATOM 276 CE1 PHE A 21 2.847 4.320 2.354 1.00 0.00 C ATOM 277 CE2 PHE A 21 1.992 2.125 2.763 1.00 0.00 C ATOM 278 CZ PHE A 21 2.982 2.948 2.263 1.00 0.00 C ATOM 0 H PHE A 21 1.485 6.330 5.645 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.215 5.362 5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.289 3.890 4.119 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.868 5.460 3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.620 5.937 3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.096 2.026 3.737 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.620 4.966 1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.096 1.052 2.695 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.860 2.520 1.802 1.00 0.00 H new ATOM 288 N TYR A 22 -0.234 3.417 7.179 1.00 0.00 N ATOM 289 CA TYR A 22 0.363 2.389 8.023 1.00 0.00 C ATOM 290 C TYR A 22 -0.074 0.997 7.577 1.00 0.00 C ATOM 291 O TYR A 22 -1.117 0.833 6.942 1.00 0.00 O ATOM 292 CB TYR A 22 -0.025 2.612 9.486 1.00 0.00 C ATOM 293 CG TYR A 22 0.404 3.958 10.027 1.00 0.00 C ATOM 294 CD1 TYR A 22 1.685 4.152 10.527 1.00 0.00 C ATOM 295 CD2 TYR A 22 -0.473 5.035 10.037 1.00 0.00 C ATOM 296 CE1 TYR A 22 2.081 5.379 11.023 1.00 0.00 C ATOM 297 CE2 TYR A 22 -0.086 6.267 10.530 1.00 0.00 C ATOM 298 CZ TYR A 22 1.191 6.433 11.022 1.00 0.00 C ATOM 299 OH TYR A 22 1.582 7.658 11.514 1.00 0.00 O ATOM 0 H TYR A 22 -1.239 3.538 7.308 1.00 0.00 H new ATOM 0 HA TYR A 22 1.446 2.459 7.926 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.106 2.518 9.585 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.421 1.826 10.095 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.384 3.329 10.528 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.474 4.908 9.653 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.081 5.512 11.409 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.780 7.095 10.530 1.00 0.00 H new ATOM 0 HH TYR A 22 0.839 8.292 11.440 1.00 0.00 H new ATOM 309 N LEU A 23 0.731 -0.005 7.914 1.00 0.00 N ATOM 310 CA LEU A 23 0.429 -1.385 7.550 1.00 0.00 C ATOM 311 C LEU A 23 0.130 -2.222 8.789 1.00 0.00 C ATOM 312 O LEU A 23 0.507 -1.858 9.903 1.00 0.00 O ATOM 313 CB LEU A 23 1.599 -1.997 6.778 1.00 0.00 C ATOM 314 CG LEU A 23 1.818 -1.467 5.360 1.00 0.00 C ATOM 315 CD1 LEU A 23 3.010 -2.153 4.712 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.565 -1.663 4.518 1.00 0.00 C ATOM 0 H LEU A 23 1.598 0.112 8.439 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.456 -1.382 6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.512 -1.833 7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.447 -3.075 6.722 1.00 0.00 H new ATOM 0 HG LEU A 23 2.028 -0.399 5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.150 -1.763 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.906 -1.961 5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.830 -3.227 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.739 -1.280 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.324 -2.725 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.267 -1.124 4.972 1.00 0.00 H new ATOM 328 N ARG A 24 -0.549 -3.347 8.587 1.00 0.00 N ATOM 329 CA ARG A 24 -0.897 -4.237 9.688 1.00 0.00 C ATOM 330 C ARG A 24 -1.078 -5.669 9.193 1.00 0.00 C ATOM 331 O ARG A 24 -1.626 -5.899 8.115 1.00 0.00 O ATOM 332 CB ARG A 24 -2.178 -3.757 10.374 1.00 0.00 C ATOM 333 CG ARG A 24 -2.454 -4.447 11.700 1.00 0.00 C ATOM 334 CD ARG A 24 -3.492 -3.691 12.515 1.00 0.00 C ATOM 335 NE ARG A 24 -3.996 -4.487 13.631 1.00 0.00 N ATOM 336 CZ ARG A 24 -4.895 -5.455 13.496 1.00 0.00 C ATOM 337 NH1 ARG A 24 -5.385 -5.747 12.299 1.00 0.00 N ATOM 338 NH2 ARG A 24 -5.305 -6.135 14.559 1.00 0.00 N ATOM 0 H ARG A 24 -0.869 -3.663 7.672 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.079 -4.221 10.408 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.110 -2.682 10.541 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.022 -3.923 9.705 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.803 -5.463 11.517 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.528 -4.526 12.270 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.053 -2.769 12.896 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.322 -3.405 11.869 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.638 -4.289 14.565 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.071 -5.228 11.479 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.075 -6.491 12.198 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.930 -5.914 15.481 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.996 -6.878 14.454 1.00 0.00 H new ATOM 352 N ALA A 25 -0.614 -6.628 9.988 1.00 0.00 N ATOM 353 CA ALA A 25 -0.726 -8.037 9.632 1.00 0.00 C ATOM 354 C ALA A 25 -2.184 -8.441 9.446 1.00 0.00 C ATOM 355 O ALA A 25 -2.954 -8.485 10.404 1.00 0.00 O ATOM 356 CB ALA A 25 -0.068 -8.904 10.695 1.00 0.00 C ATOM 0 H ALA A 25 -0.157 -6.454 10.883 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.210 -8.189 8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.159 -9.954 10.416 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.987 -8.641 10.778 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.559 -8.739 11.654 1.00 0.00 H new ATOM 362 N GLY A 26 -2.558 -8.736 8.204 1.00 0.00 N ATOM 363 CA GLY A 26 -3.924 -9.133 7.914 1.00 0.00 C ATOM 364 C GLY A 26 -4.182 -10.593 8.229 1.00 0.00 C ATOM 365 O GLY A 26 -3.269 -11.351 8.556 1.00 0.00 O ATOM 0 H GLY A 26 -1.939 -8.707 7.394 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.610 -8.513 8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.137 -8.948 6.861 1.00 0.00 H new ATOM 369 N PRO A 27 -5.454 -11.007 8.132 1.00 0.00 N ATOM 370 CA PRO A 27 -5.860 -12.389 8.406 1.00 0.00 C ATOM 371 C PRO A 27 -5.360 -13.361 7.343 1.00 0.00 C ATOM 372 O PRO A 27 -4.513 -13.014 6.522 1.00 0.00 O ATOM 373 CB PRO A 27 -7.389 -12.319 8.389 1.00 0.00 C ATOM 374 CG PRO A 27 -7.706 -11.146 7.526 1.00 0.00 C ATOM 375 CD PRO A 27 -6.594 -10.158 7.747 1.00 0.00 C ATOM 0 HA PRO A 27 -5.447 -12.757 9.345 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.823 -13.235 7.987 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.790 -12.191 9.394 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.766 -11.438 6.477 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.671 -10.714 7.793 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.381 -9.584 6.845 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.843 -9.441 8.529 1.00 0.00 H new ATOM 383 N GLU A 28 -5.891 -14.580 7.366 1.00 0.00 N ATOM 384 CA GLU A 28 -5.497 -15.602 6.404 1.00 0.00 C ATOM 385 C GLU A 28 -5.278 -14.993 5.022 1.00 0.00 C ATOM 386 O GLU A 28 -4.450 -15.470 4.247 1.00 0.00 O ATOM 387 CB GLU A 28 -6.560 -16.699 6.327 1.00 0.00 C ATOM 388 CG GLU A 28 -6.405 -17.773 7.391 1.00 0.00 C ATOM 389 CD GLU A 28 -5.507 -18.911 6.944 1.00 0.00 C ATOM 390 OE1 GLU A 28 -4.459 -18.631 6.325 1.00 0.00 O ATOM 391 OE2 GLU A 28 -5.852 -20.080 7.213 1.00 0.00 O ATOM 0 H GLU A 28 -6.594 -14.883 8.040 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.558 -16.040 6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.546 -16.245 6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.518 -17.166 5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.995 -17.326 8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.387 -18.169 7.648 1.00 0.00 H new ATOM 398 N GLN A 29 -6.027 -13.937 4.722 1.00 0.00 N ATOM 399 CA GLN A 29 -5.916 -13.264 3.433 1.00 0.00 C ATOM 400 C GLN A 29 -4.522 -12.675 3.245 1.00 0.00 C ATOM 401 O GLN A 29 -4.113 -11.773 3.976 1.00 0.00 O ATOM 402 CB GLN A 29 -6.969 -12.160 3.319 1.00 0.00 C ATOM 403 CG GLN A 29 -6.628 -10.909 4.113 1.00 0.00 C ATOM 404 CD GLN A 29 -7.802 -9.959 4.238 1.00 0.00 C ATOM 405 OE1 GLN A 29 -7.676 -8.761 3.983 1.00 0.00 O ATOM 406 NE2 GLN A 29 -8.953 -10.489 4.634 1.00 0.00 N ATOM 0 H GLN A 29 -6.717 -13.529 5.353 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.087 -14.002 2.649 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.090 -11.892 2.269 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.928 -12.548 3.662 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.290 -11.196 5.109 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.798 -10.393 3.631 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.013 -11.487 4.835 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.778 -9.898 4.737 1.00 0.00 H new ATOM 415 N LYS A 30 -3.796 -13.191 2.259 1.00 0.00 N ATOM 416 CA LYS A 30 -2.447 -12.717 1.973 1.00 0.00 C ATOM 417 C LYS A 30 -2.458 -11.238 1.600 1.00 0.00 C ATOM 418 O LYS A 30 -3.258 -10.802 0.773 1.00 0.00 O ATOM 419 CB LYS A 30 -1.827 -13.535 0.837 1.00 0.00 C ATOM 420 CG LYS A 30 -1.820 -15.031 1.099 1.00 0.00 C ATOM 421 CD LYS A 30 -0.936 -15.386 2.283 1.00 0.00 C ATOM 422 CE LYS A 30 -1.720 -15.376 3.586 1.00 0.00 C ATOM 423 NZ LYS A 30 -2.308 -16.709 3.890 1.00 0.00 N ATOM 0 H LYS A 30 -4.119 -13.938 1.644 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.846 -12.843 2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.377 -13.338 -0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.803 -13.198 0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.838 -15.373 1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.468 -15.555 0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.498 -16.372 2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.111 -14.677 2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.064 -15.074 4.402 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.516 -14.633 3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.336 -16.615 4.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.114 -17.362 3.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.886 -17.084 4.763 1.00 0.00 H new ATOM 437 N GLY A 31 -1.564 -10.470 2.216 1.00 0.00 N ATOM 438 CA GLY A 31 -1.487 -9.048 1.935 1.00 0.00 C ATOM 439 C GLY A 31 -1.620 -8.202 3.186 1.00 0.00 C ATOM 440 O GLY A 31 -2.288 -8.596 4.141 1.00 0.00 O ATOM 0 H GLY A 31 -0.892 -10.807 2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.536 -8.827 1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.274 -8.777 1.231 1.00 0.00 H new ATOM 444 N GLN A 32 -0.980 -7.037 3.180 1.00 0.00 N ATOM 445 CA GLN A 32 -1.028 -6.135 4.324 1.00 0.00 C ATOM 446 C GLN A 32 -2.246 -5.220 4.245 1.00 0.00 C ATOM 447 O GLN A 32 -2.721 -4.896 3.156 1.00 0.00 O ATOM 448 CB GLN A 32 0.250 -5.297 4.395 1.00 0.00 C ATOM 449 CG GLN A 32 1.522 -6.129 4.414 1.00 0.00 C ATOM 450 CD GLN A 32 1.605 -7.040 5.622 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.587 -6.450 6.812 1.00 0.00 O flip ATOM 452 NE2 GLN A 32 1.685 -8.262 5.489 1.00 0.00 N flip ATOM 0 H GLN A 32 -0.423 -6.696 2.396 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.108 -6.740 5.227 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.280 -4.622 3.540 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.218 -4.676 5.290 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.572 -6.730 3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.386 -5.465 4.404 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.696 -8.674 4.556 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.741 -8.862 6.312 1.00 0.00 H new ATOM 461 N ILE A 33 -2.746 -4.807 5.405 1.00 0.00 N ATOM 462 CA ILE A 33 -3.908 -3.929 5.466 1.00 0.00 C ATOM 463 C ILE A 33 -3.507 -2.513 5.866 1.00 0.00 C ATOM 464 O ILE A 33 -2.637 -2.320 6.716 1.00 0.00 O ATOM 465 CB ILE A 33 -4.958 -4.453 6.463 1.00 0.00 C ATOM 466 CG1 ILE A 33 -5.182 -5.953 6.259 1.00 0.00 C ATOM 467 CG2 ILE A 33 -6.265 -3.691 6.305 1.00 0.00 C ATOM 468 CD1 ILE A 33 -6.366 -6.497 7.028 1.00 0.00 C ATOM 0 H ILE A 33 -2.365 -5.066 6.315 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.343 -3.913 4.467 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.587 -4.294 7.476 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.328 -6.149 5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.284 -6.491 6.562 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.997 -4.073 7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.094 -2.631 6.494 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.642 -3.822 5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.465 -7.565 6.836 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.214 -6.332 8.095 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.274 -5.986 6.708 1.00 0.00 H new ATOM 480 N ILE A 34 -4.147 -1.526 5.248 1.00 0.00 N ATOM 481 CA ILE A 34 -3.859 -0.128 5.542 1.00 0.00 C ATOM 482 C ILE A 34 -4.848 0.437 6.556 1.00 0.00 C ATOM 483 O ILE A 34 -5.982 -0.031 6.660 1.00 0.00 O ATOM 484 CB ILE A 34 -3.900 0.735 4.267 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.755 0.350 3.327 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.825 2.212 4.624 1.00 0.00 C ATOM 487 CD1 ILE A 34 -2.657 1.231 2.101 1.00 0.00 C ATOM 0 H ILE A 34 -4.868 -1.669 4.541 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.854 -0.095 5.962 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.844 0.553 3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.814 0.398 3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.887 -0.685 3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.855 2.809 3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.671 2.476 5.259 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.895 2.411 5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.824 0.900 1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.583 1.164 1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.493 2.264 2.407 1.00 0.00 H new ATOM 499 N LYS A 35 -4.412 1.447 7.301 1.00 0.00 N ATOM 500 CA LYS A 35 -5.260 2.078 8.305 1.00 0.00 C ATOM 501 C LYS A 35 -4.577 3.308 8.897 1.00 0.00 C ATOM 502 O LYS A 35 -3.415 3.586 8.603 1.00 0.00 O ATOM 503 CB LYS A 35 -5.595 1.083 9.418 1.00 0.00 C ATOM 504 CG LYS A 35 -4.376 0.396 10.008 1.00 0.00 C ATOM 505 CD LYS A 35 -4.714 -0.992 10.525 1.00 0.00 C ATOM 506 CE LYS A 35 -5.849 -0.949 11.537 1.00 0.00 C ATOM 507 NZ LYS A 35 -5.359 -0.633 12.907 1.00 0.00 N ATOM 0 H LYS A 35 -3.476 1.846 7.228 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.183 2.394 7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.127 1.606 10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.273 0.326 9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.596 0.323 9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.975 1.000 10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.994 -1.634 9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.831 -1.435 10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.580 -0.201 11.231 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.363 -1.910 11.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.162 -0.613 13.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.680 -1.361 13.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.891 0.296 12.903 1.00 0.00 H new ATOM 521 N ASP A 36 -5.307 4.038 9.733 1.00 0.00 N ATOM 522 CA ASP A 36 -4.771 5.237 10.368 1.00 0.00 C ATOM 523 C ASP A 36 -4.118 6.153 9.337 1.00 0.00 C ATOM 524 O ASP A 36 -2.986 6.601 9.520 1.00 0.00 O ATOM 525 CB ASP A 36 -3.755 4.857 11.447 1.00 0.00 C ATOM 526 CG ASP A 36 -4.333 3.907 12.477 1.00 0.00 C ATOM 527 OD1 ASP A 36 -4.258 2.680 12.260 1.00 0.00 O ATOM 528 OD2 ASP A 36 -4.860 4.391 13.501 1.00 0.00 O ATOM 0 H ASP A 36 -6.271 3.821 9.987 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.599 5.774 10.831 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.887 4.395 10.978 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.405 5.760 11.946 1.00 0.00 H new ATOM 533 N ILE A 37 -4.840 6.426 8.256 1.00 0.00 N ATOM 534 CA ILE A 37 -4.331 7.288 7.196 1.00 0.00 C ATOM 535 C ILE A 37 -4.273 8.742 7.651 1.00 0.00 C ATOM 536 O ILE A 37 -5.225 9.258 8.236 1.00 0.00 O ATOM 537 CB ILE A 37 -5.198 7.193 5.927 1.00 0.00 C ATOM 538 CG1 ILE A 37 -5.010 5.831 5.255 1.00 0.00 C ATOM 539 CG2 ILE A 37 -4.851 8.318 4.963 1.00 0.00 C ATOM 540 CD1 ILE A 37 -5.935 5.604 4.081 1.00 0.00 C ATOM 0 H ILE A 37 -5.779 6.063 8.091 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.324 6.941 6.964 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.245 7.295 6.212 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.978 5.741 4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.173 5.045 5.993 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.472 8.237 4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.031 9.279 5.445 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.801 8.245 4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.746 4.619 3.654 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.970 5.661 4.417 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.757 6.368 3.324 1.00 0.00 H new ATOM 552 N GLU A 38 -3.150 9.399 7.377 1.00 0.00 N ATOM 553 CA GLU A 38 -2.969 10.795 7.758 1.00 0.00 C ATOM 554 C GLU A 38 -3.696 11.722 6.788 1.00 0.00 C ATOM 555 O GLU A 38 -3.759 11.475 5.583 1.00 0.00 O ATOM 556 CB GLU A 38 -1.481 11.147 7.799 1.00 0.00 C ATOM 557 CG GLU A 38 -0.768 10.633 9.039 1.00 0.00 C ATOM 558 CD GLU A 38 -1.194 11.359 10.300 1.00 0.00 C ATOM 559 OE1 GLU A 38 -2.378 11.245 10.680 1.00 0.00 O ATOM 560 OE2 GLU A 38 -0.342 12.040 10.908 1.00 0.00 O ATOM 0 H GLU A 38 -2.352 8.987 6.893 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.394 10.932 8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.995 10.737 6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.371 12.230 7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.967 9.567 9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.308 10.743 8.907 1.00 0.00 H new ATOM 567 N PRO A 39 -4.259 12.815 7.324 1.00 0.00 N ATOM 568 CA PRO A 39 -4.991 13.801 6.524 1.00 0.00 C ATOM 569 C PRO A 39 -4.072 14.603 5.609 1.00 0.00 C ATOM 570 O PRO A 39 -2.914 14.853 5.941 1.00 0.00 O ATOM 571 CB PRO A 39 -5.625 14.712 7.578 1.00 0.00 C ATOM 572 CG PRO A 39 -4.742 14.584 8.771 1.00 0.00 C ATOM 573 CD PRO A 39 -4.224 13.172 8.752 1.00 0.00 C ATOM 0 HA PRO A 39 -5.714 13.330 5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.674 15.744 7.231 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.645 14.403 7.806 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.922 15.301 8.729 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.294 14.785 9.689 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.214 13.109 9.157 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.849 12.507 9.348 1.00 0.00 H new ATOM 581 N GLY A 40 -4.597 15.006 4.456 1.00 0.00 N ATOM 582 CA GLY A 40 -3.810 15.777 3.512 1.00 0.00 C ATOM 583 C GLY A 40 -2.409 15.224 3.337 1.00 0.00 C ATOM 584 O GLY A 40 -1.447 15.981 3.205 1.00 0.00 O ATOM 0 H GLY A 40 -5.553 14.812 4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.316 15.789 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.749 16.811 3.853 1.00 0.00 H new ATOM 588 N SER A 41 -2.293 13.900 3.339 1.00 0.00 N ATOM 589 CA SER A 41 -0.999 13.245 3.185 1.00 0.00 C ATOM 590 C SER A 41 -0.880 12.593 1.811 1.00 0.00 C ATOM 591 O SER A 41 -1.871 12.215 1.187 1.00 0.00 O ATOM 592 CB SER A 41 -0.801 12.195 4.280 1.00 0.00 C ATOM 593 OG SER A 41 -1.360 10.950 3.900 1.00 0.00 O ATOM 0 H SER A 41 -3.080 13.259 3.446 1.00 0.00 H new ATOM 0 HA SER A 41 -0.222 14.004 3.276 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.263 12.073 4.483 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.264 12.538 5.205 1.00 0.00 H new ATOM 0 HG SER A 41 -2.229 10.834 4.338 1.00 0.00 H new ATOM 599 N PRO A 42 0.364 12.456 1.328 1.00 0.00 N ATOM 600 CA PRO A 42 0.644 11.848 0.023 1.00 0.00 C ATOM 601 C PRO A 42 -0.097 10.530 -0.173 1.00 0.00 C ATOM 602 O PRO A 42 -0.361 10.118 -1.302 1.00 0.00 O ATOM 603 CB PRO A 42 2.156 11.612 0.059 1.00 0.00 C ATOM 604 CG PRO A 42 2.676 12.631 1.014 1.00 0.00 C ATOM 605 CD PRO A 42 1.593 12.884 2.018 1.00 0.00 C ATOM 0 HA PRO A 42 0.318 12.482 -0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.391 10.601 0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.599 11.733 -0.929 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.581 12.273 1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.940 13.550 0.491 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.756 12.315 2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.547 13.936 2.300 1.00 0.00 H new ATOM 613 N ALA A 43 -0.429 9.873 0.933 1.00 0.00 N ATOM 614 CA ALA A 43 -1.141 8.602 0.882 1.00 0.00 C ATOM 615 C ALA A 43 -2.610 8.810 0.531 1.00 0.00 C ATOM 616 O ALA A 43 -3.170 8.085 -0.292 1.00 0.00 O ATOM 617 CB ALA A 43 -1.012 7.871 2.210 1.00 0.00 C ATOM 0 H ALA A 43 -0.216 10.200 1.876 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.690 7.992 0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.549 6.924 2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.041 7.681 2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.436 8.484 3.005 1.00 0.00 H new ATOM 623 N GLU A 44 -3.230 9.804 1.160 1.00 0.00 N ATOM 624 CA GLU A 44 -4.635 10.106 0.914 1.00 0.00 C ATOM 625 C GLU A 44 -4.817 10.785 -0.441 1.00 0.00 C ATOM 626 O GLU A 44 -5.822 10.579 -1.120 1.00 0.00 O ATOM 627 CB GLU A 44 -5.190 11.001 2.024 1.00 0.00 C ATOM 628 CG GLU A 44 -6.673 11.297 1.882 1.00 0.00 C ATOM 629 CD GLU A 44 -7.353 11.522 3.219 1.00 0.00 C ATOM 630 OE1 GLU A 44 -6.699 12.063 4.134 1.00 0.00 O ATOM 631 OE2 GLU A 44 -8.541 11.157 3.348 1.00 0.00 O ATOM 0 H GLU A 44 -2.781 10.414 1.844 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.186 9.165 0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.014 10.522 2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.639 11.942 2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.805 12.181 1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.158 10.468 1.367 1.00 0.00 H new ATOM 638 N ALA A 45 -3.836 11.596 -0.826 1.00 0.00 N ATOM 639 CA ALA A 45 -3.887 12.304 -2.099 1.00 0.00 C ATOM 640 C ALA A 45 -3.672 11.349 -3.268 1.00 0.00 C ATOM 641 O ALA A 45 -4.089 11.625 -4.392 1.00 0.00 O ATOM 642 CB ALA A 45 -2.848 13.416 -2.125 1.00 0.00 C ATOM 0 H ALA A 45 -2.997 11.778 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.879 12.745 -2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.897 13.937 -3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.048 14.120 -1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.854 12.988 -1.995 1.00 0.00 H new ATOM 648 N ALA A 46 -3.019 10.224 -2.994 1.00 0.00 N ATOM 649 CA ALA A 46 -2.750 9.228 -4.023 1.00 0.00 C ATOM 650 C ALA A 46 -4.025 8.492 -4.421 1.00 0.00 C ATOM 651 O ALA A 46 -4.182 8.079 -5.570 1.00 0.00 O ATOM 652 CB ALA A 46 -1.698 8.240 -3.540 1.00 0.00 C ATOM 0 H ALA A 46 -2.667 9.980 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.370 9.746 -4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.507 7.502 -4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.775 8.774 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.057 7.736 -2.643 1.00 0.00 H new ATOM 658 N GLY A 47 -4.933 8.331 -3.464 1.00 0.00 N ATOM 659 CA GLY A 47 -6.183 7.644 -3.735 1.00 0.00 C ATOM 660 C GLY A 47 -6.383 6.433 -2.845 1.00 0.00 C ATOM 661 O GLY A 47 -7.337 5.674 -3.022 1.00 0.00 O ATOM 0 H GLY A 47 -4.826 8.664 -2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.013 8.336 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.203 7.331 -4.779 1.00 0.00 H new ATOM 665 N LEU A 48 -5.482 6.250 -1.886 1.00 0.00 N ATOM 666 CA LEU A 48 -5.563 5.121 -0.966 1.00 0.00 C ATOM 667 C LEU A 48 -6.932 5.063 -0.295 1.00 0.00 C ATOM 668 O LEU A 48 -7.825 5.848 -0.613 1.00 0.00 O ATOM 669 CB LEU A 48 -4.467 5.223 0.096 1.00 0.00 C ATOM 670 CG LEU A 48 -3.131 4.567 -0.253 1.00 0.00 C ATOM 671 CD1 LEU A 48 -2.158 4.684 0.910 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.337 3.108 -0.633 1.00 0.00 C ATOM 0 H LEU A 48 -4.687 6.869 -1.725 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.420 4.206 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.288 6.278 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.839 4.775 1.017 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.705 5.089 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.213 4.211 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.986 5.736 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.577 4.188 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.376 2.657 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.785 2.574 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.998 3.047 -1.498 1.00 0.00 H new ATOM 684 N LYS A 49 -7.090 4.128 0.636 1.00 0.00 N ATOM 685 CA LYS A 49 -8.348 3.968 1.355 1.00 0.00 C ATOM 686 C LYS A 49 -8.171 3.055 2.564 1.00 0.00 C ATOM 687 O LYS A 49 -7.579 1.982 2.462 1.00 0.00 O ATOM 688 CB LYS A 49 -9.422 3.398 0.425 1.00 0.00 C ATOM 689 CG LYS A 49 -10.038 4.434 -0.499 1.00 0.00 C ATOM 690 CD LYS A 49 -11.468 4.073 -0.867 1.00 0.00 C ATOM 691 CE LYS A 49 -12.409 4.253 0.314 1.00 0.00 C ATOM 692 NZ LYS A 49 -13.827 3.999 -0.064 1.00 0.00 N ATOM 0 H LYS A 49 -6.361 3.469 0.910 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.664 4.950 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.984 2.601 -0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.210 2.946 1.028 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.021 5.410 -0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.438 4.517 -1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.800 4.697 -1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.507 3.039 -1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.120 3.574 1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.313 5.266 0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.437 4.132 0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.111 4.664 -0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.924 3.024 -0.412 1.00 0.00 H new ATOM 706 N ASN A 50 -8.691 3.489 3.708 1.00 0.00 N ATOM 707 CA ASN A 50 -8.591 2.709 4.937 1.00 0.00 C ATOM 708 C ASN A 50 -9.048 1.272 4.708 1.00 0.00 C ATOM 709 O ASN A 50 -10.049 1.027 4.037 1.00 0.00 O ATOM 710 CB ASN A 50 -9.430 3.353 6.043 1.00 0.00 C ATOM 711 CG ASN A 50 -9.235 4.855 6.117 1.00 0.00 C ATOM 712 OD1 ASN A 50 -9.370 5.559 5.116 1.00 0.00 O ATOM 713 ND2 ASN A 50 -8.917 5.352 7.306 1.00 0.00 N ATOM 0 H ASN A 50 -9.185 4.375 3.810 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.545 2.694 5.245 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.484 3.134 5.870 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.165 2.907 7.002 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.774 6.356 7.418 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.816 4.730 8.108 1.00 0.00 H new ATOM 720 N ASN A 51 -8.306 0.324 5.271 1.00 0.00 N ATOM 721 CA ASN A 51 -8.634 -1.090 5.129 1.00 0.00 C ATOM 722 C ASN A 51 -8.289 -1.590 3.729 1.00 0.00 C ATOM 723 O ASN A 51 -8.997 -2.425 3.166 1.00 0.00 O ATOM 724 CB ASN A 51 -10.119 -1.321 5.414 1.00 0.00 C ATOM 725 CG ASN A 51 -10.604 -0.543 6.622 1.00 0.00 C ATOM 726 OD1 ASN A 51 -11.508 0.286 6.518 1.00 0.00 O ATOM 727 ND2 ASN A 51 -10.002 -0.806 7.776 1.00 0.00 N ATOM 0 H ASN A 51 -7.473 0.509 5.830 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.041 -1.650 5.852 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.703 -1.031 4.540 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.294 -2.385 5.576 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.285 -0.313 8.623 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.257 -1.502 7.816 1.00 0.00 H new ATOM 734 N ASP A 52 -7.198 -1.074 3.175 1.00 0.00 N ATOM 735 CA ASP A 52 -6.758 -1.469 1.842 1.00 0.00 C ATOM 736 C ASP A 52 -5.846 -2.690 1.910 1.00 0.00 C ATOM 737 O ASP A 52 -4.902 -2.730 2.700 1.00 0.00 O ATOM 738 CB ASP A 52 -6.030 -0.311 1.158 1.00 0.00 C ATOM 739 CG ASP A 52 -6.970 0.579 0.370 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.196 0.347 0.428 1.00 0.00 O ATOM 741 OD2 ASP A 52 -6.481 1.509 -0.305 1.00 0.00 O ATOM 0 H ASP A 52 -6.602 -0.381 3.628 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.640 -1.729 1.257 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.515 0.286 1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.266 -0.710 0.490 1.00 0.00 H new ATOM 746 N LEU A 53 -6.135 -3.686 1.079 1.00 0.00 N ATOM 747 CA LEU A 53 -5.342 -4.909 1.046 1.00 0.00 C ATOM 748 C LEU A 53 -4.343 -4.880 -0.107 1.00 0.00 C ATOM 749 O LEU A 53 -4.725 -4.953 -1.275 1.00 0.00 O ATOM 750 CB LEU A 53 -6.255 -6.129 0.913 1.00 0.00 C ATOM 751 CG LEU A 53 -5.595 -7.490 1.138 1.00 0.00 C ATOM 752 CD1 LEU A 53 -5.276 -7.690 2.612 1.00 0.00 C ATOM 753 CD2 LEU A 53 -6.491 -8.609 0.628 1.00 0.00 C ATOM 0 H LEU A 53 -6.913 -3.670 0.419 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.787 -4.978 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.075 -6.023 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.695 -6.121 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.661 -7.517 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.807 -8.664 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.595 -6.907 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.197 -7.643 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.005 -9.570 0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.442 -8.585 1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.669 -8.475 -0.439 1.00 0.00 H new ATOM 765 N VAL A 54 -3.062 -4.774 0.230 1.00 0.00 N ATOM 766 CA VAL A 54 -2.008 -4.738 -0.777 1.00 0.00 C ATOM 767 C VAL A 54 -1.478 -6.137 -1.068 1.00 0.00 C ATOM 768 O VAL A 54 -1.105 -6.874 -0.155 1.00 0.00 O ATOM 769 CB VAL A 54 -0.837 -3.840 -0.332 1.00 0.00 C ATOM 770 CG1 VAL A 54 0.165 -3.669 -1.464 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.353 -2.490 0.143 1.00 0.00 C ATOM 0 H VAL A 54 -2.729 -4.712 1.192 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.450 -4.324 -1.683 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.327 -4.323 0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.985 -3.032 -1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.557 -4.644 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.328 -3.208 -2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.513 -1.868 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.887 -1.998 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.029 -2.635 0.986 1.00 0.00 H new ATOM 781 N VAL A 55 -1.447 -6.498 -2.347 1.00 0.00 N ATOM 782 CA VAL A 55 -0.961 -7.810 -2.760 1.00 0.00 C ATOM 783 C VAL A 55 0.344 -7.692 -3.537 1.00 0.00 C ATOM 784 O VAL A 55 1.078 -8.668 -3.690 1.00 0.00 O ATOM 785 CB VAL A 55 -1.999 -8.545 -3.629 1.00 0.00 C ATOM 786 CG1 VAL A 55 -3.147 -9.057 -2.772 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.513 -7.631 -4.731 1.00 0.00 C ATOM 0 H VAL A 55 -1.753 -5.901 -3.115 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.788 -8.385 -1.850 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.515 -9.403 -4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.870 -9.573 -3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.761 -9.748 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.633 -8.217 -2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.245 -8.166 -5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.981 -6.753 -4.286 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.681 -7.318 -5.362 1.00 0.00 H new ATOM 797 N ALA A 56 0.629 -6.490 -4.027 1.00 0.00 N ATOM 798 CA ALA A 56 1.848 -6.243 -4.787 1.00 0.00 C ATOM 799 C ALA A 56 2.377 -4.836 -4.535 1.00 0.00 C ATOM 800 O ALA A 56 1.606 -3.902 -4.315 1.00 0.00 O ATOM 801 CB ALA A 56 1.596 -6.456 -6.272 1.00 0.00 C ATOM 0 H ALA A 56 0.032 -5.671 -3.911 1.00 0.00 H new ATOM 0 HA ALA A 56 2.605 -6.952 -4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.515 -6.268 -6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.272 -7.483 -6.443 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.820 -5.770 -6.611 1.00 0.00 H new ATOM 807 N VAL A 57 3.698 -4.690 -4.566 1.00 0.00 N ATOM 808 CA VAL A 57 4.331 -3.396 -4.341 1.00 0.00 C ATOM 809 C VAL A 57 5.363 -3.093 -5.422 1.00 0.00 C ATOM 810 O VAL A 57 6.371 -3.788 -5.543 1.00 0.00 O ATOM 811 CB VAL A 57 5.015 -3.338 -2.963 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.834 -2.063 -2.826 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.982 -3.439 -1.851 1.00 0.00 C ATOM 0 H VAL A 57 4.351 -5.453 -4.745 1.00 0.00 H new ATOM 0 HA VAL A 57 3.540 -2.647 -4.378 1.00 0.00 H new ATOM 0 HB VAL A 57 5.692 -4.188 -2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.310 -2.040 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.599 -2.037 -3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.180 -1.197 -2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.483 -3.396 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.278 -2.611 -1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.443 -4.383 -1.939 1.00 0.00 H new ATOM 823 N ASN A 58 5.103 -2.052 -6.205 1.00 0.00 N ATOM 824 CA ASN A 58 6.010 -1.656 -7.277 1.00 0.00 C ATOM 825 C ASN A 58 6.116 -2.753 -8.332 1.00 0.00 C ATOM 826 O ASN A 58 7.149 -2.905 -8.983 1.00 0.00 O ATOM 827 CB ASN A 58 7.396 -1.342 -6.710 1.00 0.00 C ATOM 828 CG ASN A 58 7.353 -0.271 -5.637 1.00 0.00 C ATOM 829 OD1 ASN A 58 6.281 0.106 -5.164 1.00 0.00 O ATOM 830 ND2 ASN A 58 8.522 0.224 -5.249 1.00 0.00 N ATOM 0 H ASN A 58 4.272 -1.467 -6.118 1.00 0.00 H new ATOM 0 HA ASN A 58 5.607 -0.760 -7.749 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.830 -2.251 -6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.051 -1.017 -7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.556 0.947 -4.531 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.386 -0.119 -5.669 1.00 0.00 H new ATOM 837 N GLY A 59 5.039 -3.516 -8.496 1.00 0.00 N ATOM 838 CA GLY A 59 5.032 -4.589 -9.473 1.00 0.00 C ATOM 839 C GLY A 59 5.750 -5.828 -8.978 1.00 0.00 C ATOM 840 O GLY A 59 6.406 -6.526 -9.753 1.00 0.00 O ATOM 0 H GLY A 59 4.172 -3.410 -7.970 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.002 -4.844 -9.720 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.504 -4.242 -10.392 1.00 0.00 H new ATOM 844 N LYS A 60 5.628 -6.104 -7.684 1.00 0.00 N ATOM 845 CA LYS A 60 6.271 -7.268 -7.086 1.00 0.00 C ATOM 846 C LYS A 60 5.387 -7.882 -6.005 1.00 0.00 C ATOM 847 O LYS A 60 4.833 -7.172 -5.166 1.00 0.00 O ATOM 848 CB LYS A 60 7.626 -6.878 -6.491 1.00 0.00 C ATOM 849 CG LYS A 60 8.573 -6.247 -7.497 1.00 0.00 C ATOM 850 CD LYS A 60 9.371 -7.299 -8.248 1.00 0.00 C ATOM 851 CE LYS A 60 10.024 -6.720 -9.494 1.00 0.00 C ATOM 852 NZ LYS A 60 9.081 -6.674 -10.645 1.00 0.00 N ATOM 0 H LYS A 60 5.089 -5.537 -7.029 1.00 0.00 H new ATOM 0 HA LYS A 60 6.425 -8.010 -7.870 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.465 -6.181 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.097 -7.766 -6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.004 -5.646 -8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.255 -5.571 -6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.138 -7.712 -7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.715 -8.123 -8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.385 -5.714 -9.280 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.893 -7.321 -9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.240 -5.803 -11.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.240 -7.499 -11.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.103 -6.688 -10.293 1.00 0.00 H new ATOM 866 N SER A 61 5.262 -9.205 -6.030 1.00 0.00 N ATOM 867 CA SER A 61 4.443 -9.914 -5.053 1.00 0.00 C ATOM 868 C SER A 61 4.977 -9.699 -3.640 1.00 0.00 C ATOM 869 O SER A 61 6.162 -9.900 -3.374 1.00 0.00 O ATOM 870 CB SER A 61 4.407 -11.409 -5.376 1.00 0.00 C ATOM 871 OG SER A 61 5.712 -11.914 -5.600 1.00 0.00 O ATOM 0 H SER A 61 5.717 -9.808 -6.716 1.00 0.00 H new ATOM 0 HA SER A 61 3.430 -9.514 -5.105 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.940 -11.951 -4.553 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.791 -11.579 -6.259 1.00 0.00 H new ATOM 0 HG SER A 61 6.325 -11.546 -4.929 1.00 0.00 H new ATOM 877 N VAL A 62 4.092 -9.290 -2.736 1.00 0.00 N ATOM 878 CA VAL A 62 4.472 -9.050 -1.349 1.00 0.00 C ATOM 879 C VAL A 62 3.554 -9.799 -0.390 1.00 0.00 C ATOM 880 O VAL A 62 3.962 -10.172 0.710 1.00 0.00 O ATOM 881 CB VAL A 62 4.435 -7.548 -1.010 1.00 0.00 C ATOM 882 CG1 VAL A 62 5.132 -6.738 -2.092 1.00 0.00 C ATOM 883 CG2 VAL A 62 2.999 -7.080 -0.823 1.00 0.00 C ATOM 0 H VAL A 62 3.107 -9.118 -2.939 1.00 0.00 H new ATOM 0 HA VAL A 62 5.492 -9.417 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 62 4.969 -7.392 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.095 -5.679 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.171 -7.056 -2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.629 -6.897 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.991 -6.017 -0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.438 -7.249 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.538 -7.638 -0.009 1.00 0.00 H new ATOM 893 N GLU A 63 2.313 -10.016 -0.814 1.00 0.00 N ATOM 894 CA GLU A 63 1.338 -10.722 0.008 1.00 0.00 C ATOM 895 C GLU A 63 1.972 -11.932 0.688 1.00 0.00 C ATOM 896 O GLU A 63 1.495 -12.397 1.722 1.00 0.00 O ATOM 897 CB GLU A 63 0.147 -11.167 -0.843 1.00 0.00 C ATOM 898 CG GLU A 63 0.440 -12.377 -1.714 1.00 0.00 C ATOM 899 CD GLU A 63 1.162 -12.012 -2.996 1.00 0.00 C ATOM 900 OE1 GLU A 63 1.804 -10.941 -3.032 1.00 0.00 O ATOM 901 OE2 GLU A 63 1.084 -12.797 -3.965 1.00 0.00 O ATOM 0 H GLU A 63 1.959 -9.713 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 63 0.988 -10.036 0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.692 -11.397 -0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.164 -10.338 -1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.045 -13.088 -1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.496 -12.879 -1.959 1.00 0.00 H new ATOM 908 N ALA A 64 3.050 -12.437 0.097 1.00 0.00 N ATOM 909 CA ALA A 64 3.751 -13.591 0.645 1.00 0.00 C ATOM 910 C ALA A 64 4.690 -13.179 1.774 1.00 0.00 C ATOM 911 O ALA A 64 4.763 -13.843 2.808 1.00 0.00 O ATOM 912 CB ALA A 64 4.524 -14.309 -0.452 1.00 0.00 C ATOM 0 H ALA A 64 3.457 -12.065 -0.761 1.00 0.00 H new ATOM 0 HA ALA A 64 3.008 -14.274 1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.043 -15.169 -0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.832 -14.647 -1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.252 -13.626 -0.891 1.00 0.00 H new ATOM 918 N LEU A 65 5.406 -12.079 1.569 1.00 0.00 N ATOM 919 CA LEU A 65 6.342 -11.578 2.569 1.00 0.00 C ATOM 920 C LEU A 65 5.629 -11.296 3.888 1.00 0.00 C ATOM 921 O LEU A 65 4.408 -11.422 3.985 1.00 0.00 O ATOM 922 CB LEU A 65 7.027 -10.306 2.064 1.00 0.00 C ATOM 923 CG LEU A 65 8.275 -10.512 1.206 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.694 -9.205 0.551 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.411 -11.079 2.045 1.00 0.00 C ATOM 0 H LEU A 65 5.356 -11.517 0.719 1.00 0.00 H new ATOM 0 HA LEU A 65 7.097 -12.345 2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.303 -9.733 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.300 -9.697 2.926 1.00 0.00 H new ATOM 0 HG LEU A 65 8.038 -11.229 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.584 -9.371 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.886 -8.840 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.913 -8.466 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.291 -11.219 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.647 -10.386 2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.109 -12.038 2.466 1.00 0.00 H new ATOM 937 N ASP A 66 6.399 -10.912 4.900 1.00 0.00 N ATOM 938 CA ASP A 66 5.841 -10.608 6.213 1.00 0.00 C ATOM 939 C ASP A 66 5.790 -9.101 6.447 1.00 0.00 C ATOM 940 O ASP A 66 6.330 -8.322 5.661 1.00 0.00 O ATOM 941 CB ASP A 66 6.669 -11.279 7.310 1.00 0.00 C ATOM 942 CG ASP A 66 6.446 -12.778 7.369 1.00 0.00 C ATOM 943 OD1 ASP A 66 5.333 -13.198 7.751 1.00 0.00 O ATOM 944 OD2 ASP A 66 7.384 -13.530 7.032 1.00 0.00 O ATOM 0 H ASP A 66 7.411 -10.804 4.837 1.00 0.00 H new ATOM 0 HA ASP A 66 4.823 -10.997 6.247 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.726 -11.078 7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.415 -10.839 8.274 1.00 0.00 H new ATOM 949 N HIS A 67 5.137 -8.698 7.532 1.00 0.00 N ATOM 950 CA HIS A 67 5.016 -7.284 7.869 1.00 0.00 C ATOM 951 C HIS A 67 6.276 -6.521 7.474 1.00 0.00 C ATOM 952 O HIS A 67 6.207 -5.503 6.785 1.00 0.00 O ATOM 953 CB HIS A 67 4.751 -7.115 9.365 1.00 0.00 C ATOM 954 CG HIS A 67 4.238 -5.757 9.734 1.00 0.00 C ATOM 955 ND1 HIS A 67 3.159 -5.166 9.112 1.00 0.00 N ATOM 956 CD2 HIS A 67 4.662 -4.875 10.668 1.00 0.00 C ATOM 957 CE1 HIS A 67 2.942 -3.978 9.646 1.00 0.00 C ATOM 958 NE2 HIS A 67 3.841 -3.777 10.594 1.00 0.00 N ATOM 0 H HIS A 67 4.684 -9.330 8.192 1.00 0.00 H new ATOM 0 HA HIS A 67 4.175 -6.874 7.310 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.029 -7.866 9.685 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.674 -7.307 9.913 1.00 0.00 H new ATOM 0 HD1 HIS A 67 2.613 -5.582 8.357 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.492 -5.010 11.346 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.163 -3.288 9.357 1.00 0.00 H new ATOM 967 N ASP A 68 7.426 -7.018 7.916 1.00 0.00 N ATOM 968 CA ASP A 68 8.702 -6.383 7.608 1.00 0.00 C ATOM 969 C ASP A 68 8.979 -6.417 6.108 1.00 0.00 C ATOM 970 O ASP A 68 9.176 -5.378 5.480 1.00 0.00 O ATOM 971 CB ASP A 68 9.837 -7.078 8.364 1.00 0.00 C ATOM 972 CG ASP A 68 9.882 -6.685 9.828 1.00 0.00 C ATOM 973 OD1 ASP A 68 8.807 -6.628 10.460 1.00 0.00 O ATOM 974 OD2 ASP A 68 10.993 -6.436 10.340 1.00 0.00 O ATOM 0 H ASP A 68 7.501 -7.859 8.489 1.00 0.00 H new ATOM 0 HA ASP A 68 8.647 -5.342 7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.715 -8.158 8.284 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.789 -6.829 7.894 1.00 0.00 H new ATOM 979 N GLY A 69 8.991 -7.620 5.541 1.00 0.00 N ATOM 980 CA GLY A 69 9.246 -7.766 4.119 1.00 0.00 C ATOM 981 C GLY A 69 8.536 -6.714 3.292 1.00 0.00 C ATOM 982 O GLY A 69 9.172 -5.955 2.561 1.00 0.00 O ATOM 0 H GLY A 69 8.829 -8.495 6.040 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.319 -7.704 3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.925 -8.756 3.795 1.00 0.00 H new ATOM 986 N VAL A 70 7.212 -6.668 3.405 1.00 0.00 N ATOM 987 CA VAL A 70 6.414 -5.701 2.660 1.00 0.00 C ATOM 988 C VAL A 70 6.880 -4.275 2.936 1.00 0.00 C ATOM 989 O VAL A 70 7.318 -3.567 2.030 1.00 0.00 O ATOM 990 CB VAL A 70 4.919 -5.818 3.011 1.00 0.00 C ATOM 991 CG1 VAL A 70 4.091 -4.888 2.137 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.449 -7.257 2.866 1.00 0.00 C ATOM 0 H VAL A 70 6.670 -7.289 4.005 1.00 0.00 H new ATOM 0 HA VAL A 70 6.550 -5.926 1.602 1.00 0.00 H new ATOM 0 HB VAL A 70 4.783 -5.518 4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.037 -4.984 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.412 -3.858 2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.230 -5.154 1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.390 -7.321 3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.598 -7.587 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.021 -7.896 3.538 1.00 0.00 H new ATOM 1002 N VAL A 71 6.781 -3.860 4.196 1.00 0.00 N ATOM 1003 CA VAL A 71 7.194 -2.520 4.593 1.00 0.00 C ATOM 1004 C VAL A 71 8.549 -2.161 3.993 1.00 0.00 C ATOM 1005 O VAL A 71 8.777 -1.021 3.589 1.00 0.00 O ATOM 1006 CB VAL A 71 7.273 -2.387 6.125 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.669 -0.973 6.520 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.946 -2.775 6.762 1.00 0.00 C ATOM 0 H VAL A 71 6.418 -4.433 4.958 1.00 0.00 H new ATOM 0 HA VAL A 71 6.438 -1.832 4.214 1.00 0.00 H new ATOM 0 HB VAL A 71 8.040 -3.069 6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.719 -0.899 7.606 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.644 -0.736 6.095 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.928 -0.269 6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.019 -2.675 7.845 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.158 -2.120 6.390 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.709 -3.808 6.508 1.00 0.00 H new ATOM 1018 N GLU A 72 9.444 -3.142 3.937 1.00 0.00 N ATOM 1019 CA GLU A 72 10.777 -2.929 3.386 1.00 0.00 C ATOM 1020 C GLU A 72 10.699 -2.499 1.924 1.00 0.00 C ATOM 1021 O GLU A 72 11.237 -1.460 1.542 1.00 0.00 O ATOM 1022 CB GLU A 72 11.614 -4.204 3.510 1.00 0.00 C ATOM 1023 CG GLU A 72 13.110 -3.964 3.391 1.00 0.00 C ATOM 1024 CD GLU A 72 13.928 -5.001 4.136 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.633 -5.247 5.325 1.00 0.00 O ATOM 1026 OE2 GLU A 72 14.862 -5.567 3.531 1.00 0.00 O ATOM 0 H GLU A 72 9.270 -4.092 4.266 1.00 0.00 H new ATOM 0 HA GLU A 72 11.255 -2.132 3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.405 -4.674 4.471 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.305 -4.908 2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.393 -3.971 2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.347 -2.973 3.778 1.00 0.00 H new ATOM 1033 N MET A 73 10.025 -3.306 1.111 1.00 0.00 N ATOM 1034 CA MET A 73 9.875 -3.009 -0.309 1.00 0.00 C ATOM 1035 C MET A 73 9.448 -1.560 -0.519 1.00 0.00 C ATOM 1036 O MET A 73 10.083 -0.818 -1.269 1.00 0.00 O ATOM 1037 CB MET A 73 8.852 -3.952 -0.945 1.00 0.00 C ATOM 1038 CG MET A 73 9.232 -5.420 -0.840 1.00 0.00 C ATOM 1039 SD MET A 73 10.514 -5.892 -2.017 1.00 0.00 S ATOM 1040 CE MET A 73 9.519 -6.528 -3.364 1.00 0.00 C ATOM 0 H MET A 73 9.574 -4.170 1.411 1.00 0.00 H new ATOM 0 HA MET A 73 10.842 -3.158 -0.789 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.884 -3.801 -0.467 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.733 -3.690 -1.996 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.578 -5.630 0.172 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.347 -6.033 -1.008 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.171 -6.861 -4.172 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.922 -7.368 -3.010 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.858 -5.742 -3.731 1.00 0.00 H new ATOM 1050 N ILE A 74 8.368 -1.164 0.146 1.00 0.00 N ATOM 1051 CA ILE A 74 7.857 0.197 0.032 1.00 0.00 C ATOM 1052 C ILE A 74 8.974 1.220 0.207 1.00 0.00 C ATOM 1053 O ILE A 74 9.061 2.193 -0.543 1.00 0.00 O ATOM 1054 CB ILE A 74 6.755 0.473 1.072 1.00 0.00 C ATOM 1055 CG1 ILE A 74 5.594 -0.506 0.891 1.00 0.00 C ATOM 1056 CG2 ILE A 74 6.267 1.909 0.957 1.00 0.00 C ATOM 1057 CD1 ILE A 74 4.707 -0.625 2.110 1.00 0.00 C ATOM 0 H ILE A 74 7.830 -1.766 0.769 1.00 0.00 H new ATOM 0 HA ILE A 74 7.434 0.293 -0.968 1.00 0.00 H new ATOM 0 HB ILE A 74 7.173 0.330 2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.990 -0.187 0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.994 -1.490 0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.488 2.089 1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.099 2.591 1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.863 2.077 -0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.906 -1.336 1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.298 -0.974 2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.277 0.349 2.344 1.00 0.00 H new ATOM 1069 N ARG A 75 9.827 0.992 1.200 1.00 0.00 N ATOM 1070 CA ARG A 75 10.940 1.894 1.473 1.00 0.00 C ATOM 1071 C ARG A 75 11.958 1.861 0.337 1.00 0.00 C ATOM 1072 O ARG A 75 12.610 2.863 0.043 1.00 0.00 O ATOM 1073 CB ARG A 75 11.618 1.517 2.791 1.00 0.00 C ATOM 1074 CG ARG A 75 10.729 1.707 4.010 1.00 0.00 C ATOM 1075 CD ARG A 75 11.252 0.928 5.207 1.00 0.00 C ATOM 1076 NE ARG A 75 10.545 1.276 6.437 1.00 0.00 N ATOM 1077 CZ ARG A 75 10.968 0.935 7.649 1.00 0.00 C ATOM 1078 NH1 ARG A 75 12.089 0.242 7.793 1.00 0.00 N ATOM 1079 NH2 ARG A 75 10.270 1.289 8.720 1.00 0.00 N ATOM 0 H ARG A 75 9.769 0.191 1.829 1.00 0.00 H new ATOM 0 HA ARG A 75 10.543 2.906 1.553 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.935 0.475 2.742 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.519 2.119 2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.674 2.767 4.260 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.715 1.381 3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.147 -0.140 5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 75 12.316 1.127 5.332 1.00 0.00 H new ATOM 0 HE ARG A 75 9.679 1.810 6.361 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.629 -0.031 6.972 1.00 0.00 H new ATOM 0 HH12 ARG A 75 12.411 -0.018 8.725 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.408 1.823 8.613 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.595 1.027 9.650 1.00 0.00 H new ATOM 1093 N LYS A 76 12.090 0.701 -0.298 1.00 0.00 N ATOM 1094 CA LYS A 76 13.028 0.536 -1.402 1.00 0.00 C ATOM 1095 C LYS A 76 12.679 1.469 -2.557 1.00 0.00 C ATOM 1096 O LYS A 76 13.562 2.018 -3.214 1.00 0.00 O ATOM 1097 CB LYS A 76 13.026 -0.916 -1.887 1.00 0.00 C ATOM 1098 CG LYS A 76 13.388 -1.919 -0.806 1.00 0.00 C ATOM 1099 CD LYS A 76 14.893 -2.100 -0.695 1.00 0.00 C ATOM 1100 CE LYS A 76 15.264 -2.958 0.504 1.00 0.00 C ATOM 1101 NZ LYS A 76 15.241 -2.178 1.773 1.00 0.00 N ATOM 0 H LYS A 76 11.559 -0.139 -0.067 1.00 0.00 H new ATOM 0 HA LYS A 76 14.024 0.791 -1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.038 -1.158 -2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.730 -1.015 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.989 -1.583 0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.920 -2.878 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.273 -2.562 -1.606 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.372 -1.125 -0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.570 -3.795 0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.258 -3.380 0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.500 -2.798 2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.921 -1.394 1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.286 -1.796 1.929 1.00 0.00 H new ATOM 1115 N GLY A 77 11.383 1.645 -2.799 1.00 0.00 N ATOM 1116 CA GLY A 77 10.940 2.514 -3.874 1.00 0.00 C ATOM 1117 C GLY A 77 11.631 3.863 -3.851 1.00 0.00 C ATOM 1118 O GLY A 77 11.856 4.471 -4.896 1.00 0.00 O ATOM 0 H GLY A 77 10.632 1.201 -2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.130 2.028 -4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.862 2.660 -3.799 1.00 0.00 H new ATOM 1122 N GLY A 78 11.967 4.334 -2.653 1.00 0.00 N ATOM 1123 CA GLY A 78 12.631 5.618 -2.521 1.00 0.00 C ATOM 1124 C GLY A 78 11.650 6.768 -2.410 1.00 0.00 C ATOM 1125 O GLY A 78 10.538 6.599 -1.910 1.00 0.00 O ATOM 0 H GLY A 78 11.791 3.850 -1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.271 5.604 -1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.279 5.779 -3.382 1.00 0.00 H new ATOM 1129 N ASP A 79 12.063 7.942 -2.876 1.00 0.00 N ATOM 1130 CA ASP A 79 11.213 9.126 -2.826 1.00 0.00 C ATOM 1131 C ASP A 79 9.748 8.753 -3.030 1.00 0.00 C ATOM 1132 O ASP A 79 8.888 9.121 -2.231 1.00 0.00 O ATOM 1133 CB ASP A 79 11.647 10.136 -3.889 1.00 0.00 C ATOM 1134 CG ASP A 79 13.042 10.676 -3.640 1.00 0.00 C ATOM 1135 OD1 ASP A 79 14.012 10.059 -4.128 1.00 0.00 O ATOM 1136 OD2 ASP A 79 13.164 11.714 -2.956 1.00 0.00 O ATOM 0 H ASP A 79 12.981 8.099 -3.292 1.00 0.00 H new ATOM 0 HA ASP A 79 11.320 9.578 -1.840 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.614 9.663 -4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.938 10.964 -3.910 1.00 0.00 H new ATOM 1141 N GLN A 80 9.473 8.021 -4.105 1.00 0.00 N ATOM 1142 CA GLN A 80 8.112 7.600 -4.414 1.00 0.00 C ATOM 1143 C GLN A 80 8.011 6.079 -4.464 1.00 0.00 C ATOM 1144 O GLN A 80 8.987 5.390 -4.763 1.00 0.00 O ATOM 1145 CB GLN A 80 7.662 8.196 -5.749 1.00 0.00 C ATOM 1146 CG GLN A 80 8.310 7.541 -6.958 1.00 0.00 C ATOM 1147 CD GLN A 80 7.773 8.077 -8.270 1.00 0.00 C ATOM 1148 OE1 GLN A 80 8.200 9.130 -8.745 1.00 0.00 O ATOM 1149 NE2 GLN A 80 6.831 7.354 -8.865 1.00 0.00 N ATOM 0 H GLN A 80 10.174 7.708 -4.776 1.00 0.00 H new ATOM 0 HA GLN A 80 7.457 7.964 -3.622 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.579 8.102 -5.832 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.891 9.262 -5.757 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.388 7.700 -6.919 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.145 6.464 -6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.506 6.487 -8.436 1.00 0.00 H new ATOM 0 HE22 GLN A 80 6.432 7.665 -9.751 1.00 0.00 H new ATOM 1158 N THR A 81 6.823 5.559 -4.168 1.00 0.00 N ATOM 1159 CA THR A 81 6.595 4.120 -4.177 1.00 0.00 C ATOM 1160 C THR A 81 5.202 3.788 -4.699 1.00 0.00 C ATOM 1161 O THR A 81 4.266 4.574 -4.547 1.00 0.00 O ATOM 1162 CB THR A 81 6.761 3.516 -2.770 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.504 2.108 -2.808 1.00 0.00 O ATOM 1164 CG2 THR A 81 5.817 4.183 -1.780 1.00 0.00 C ATOM 0 H THR A 81 6.004 6.114 -3.919 1.00 0.00 H new ATOM 0 HA THR A 81 7.342 3.686 -4.841 1.00 0.00 H new ATOM 0 HB THR A 81 7.786 3.689 -2.443 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.354 1.621 -2.832 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.952 3.740 -0.793 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.035 5.250 -1.732 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.787 4.037 -2.105 1.00 0.00 H new ATOM 1172 N THR A 82 5.069 2.618 -5.316 1.00 0.00 N ATOM 1173 CA THR A 82 3.790 2.182 -5.862 1.00 0.00 C ATOM 1174 C THR A 82 3.168 1.090 -4.999 1.00 0.00 C ATOM 1175 O THR A 82 3.832 0.119 -4.633 1.00 0.00 O ATOM 1176 CB THR A 82 3.943 1.657 -7.302 1.00 0.00 C ATOM 1177 OG1 THR A 82 4.100 2.754 -8.209 1.00 0.00 O ATOM 1178 CG2 THR A 82 2.734 0.827 -7.707 1.00 0.00 C ATOM 0 H THR A 82 5.832 1.955 -5.450 1.00 0.00 H new ATOM 0 HA THR A 82 3.136 3.054 -5.869 1.00 0.00 H new ATOM 0 HB THR A 82 4.829 1.023 -7.342 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.198 2.412 -9.122 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.865 0.467 -8.728 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.634 -0.023 -7.032 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.836 1.442 -7.652 1.00 0.00 H new ATOM 1186 N LEU A 83 1.890 1.253 -4.677 1.00 0.00 N ATOM 1187 CA LEU A 83 1.177 0.280 -3.857 1.00 0.00 C ATOM 1188 C LEU A 83 -0.029 -0.282 -4.604 1.00 0.00 C ATOM 1189 O LEU A 83 -0.887 0.466 -5.073 1.00 0.00 O ATOM 1190 CB LEU A 83 0.723 0.924 -2.545 1.00 0.00 C ATOM 1191 CG LEU A 83 1.613 2.044 -2.005 1.00 0.00 C ATOM 1192 CD1 LEU A 83 1.305 2.310 -0.539 1.00 0.00 C ATOM 1193 CD2 LEU A 83 3.082 1.694 -2.188 1.00 0.00 C ATOM 0 H LEU A 83 1.326 2.050 -4.971 1.00 0.00 H new ATOM 0 HA LEU A 83 1.859 -0.541 -3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.282 1.322 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.653 0.145 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 83 1.404 2.952 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.948 3.110 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.261 2.606 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.485 1.405 0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.700 2.503 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.307 0.773 -1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.294 1.555 -3.248 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.088 -1.605 -4.709 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.190 -2.270 -5.396 1.00 0.00 C ATOM 1207 C LEU A 84 -2.167 -2.879 -4.397 1.00 0.00 C ATOM 1208 O LEU A 84 -1.871 -3.891 -3.761 1.00 0.00 O ATOM 1209 CB LEU A 84 -0.653 -3.356 -6.330 1.00 0.00 C ATOM 1210 CG LEU A 84 -1.703 -4.169 -7.088 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -1.047 -5.012 -8.170 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -2.491 -5.049 -6.128 1.00 0.00 C ATOM 0 H LEU A 84 0.614 -2.239 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.722 -1.523 -5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.009 -2.886 -7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.044 -4.044 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.395 -3.476 -7.566 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.810 -5.583 -8.699 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.528 -4.361 -8.874 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.332 -5.697 -7.714 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.234 -5.620 -6.685 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.811 -5.734 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.993 -4.424 -5.390 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.334 -2.258 -4.264 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.358 -2.741 -3.344 1.00 0.00 C ATOM 1226 C VAL A 85 -5.550 -3.315 -4.101 1.00 0.00 C ATOM 1227 O VAL A 85 -5.749 -3.024 -5.281 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.849 -1.618 -2.411 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -3.700 -1.080 -1.571 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -5.499 -0.503 -3.216 1.00 0.00 C ATOM 0 H VAL A 85 -3.595 -1.419 -4.782 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.899 -3.527 -2.744 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.598 -2.032 -1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.066 -0.288 -0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.284 -1.885 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.926 -0.681 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.840 0.282 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.773 -0.089 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.350 -0.902 -3.768 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.340 -4.133 -3.415 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.515 -4.750 -4.022 1.00 0.00 C ATOM 1242 C LEU A 86 -8.798 -4.196 -3.411 1.00 0.00 C ATOM 1243 O LEU A 86 -8.855 -3.911 -2.214 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.467 -6.269 -3.845 1.00 0.00 C ATOM 1245 CG LEU A 86 -8.125 -7.094 -4.951 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -7.485 -8.470 -5.043 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -9.622 -7.216 -4.706 1.00 0.00 C ATOM 0 H LEU A 86 -6.189 -4.385 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.510 -4.514 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.423 -6.573 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.946 -6.520 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.973 -6.581 -5.900 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.966 -9.043 -5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.423 -8.363 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.606 -8.992 -4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.074 -7.806 -5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.795 -7.706 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.070 -6.223 -4.691 1.00 0.00 H new