USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 565 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 Single : A 7 SER OG : rot -26:sc= -0.789! USER MOD Single : A 8 TYR OH : rot -84:sc= 0.734 USER MOD Single : A 13 THR OG1 : rot 81:sc= 0.127 USER MOD Single : A 14 MET CE :methyl -168:sc= -2.72 (180deg=-3.4) USER MOD Single : A 18 GLN : amide:sc= -2.34! C(o=-2.3!,f=-3.8!) USER MOD Single : A 19 SER OG : rot -5:sc= -0.569 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -80:sc= 0.495 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -34:sc= 0.64 USER MOD Single : A 34 SER OG : rot -110:sc= -2.82 USER MOD Single : A 35 ASN : amide:sc= -0.0341 X(o=-0.034,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0674 X(o=-0.067,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.756! C(o=-0.76!,f=-1.7!) USER MOD Single : A 50 SER OG : rot 92:sc= 1.14 USER MOD Single : A 53 HIS : no HD1:sc= -5.84! C(o=-5.8!,f=-6.5!) USER MOD Single : A 54 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.56) USER MOD Single : A 56 SER OG : rot -160:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0913 X(o=-0.091,f=-0.28) USER MOD Single : A 60 CYS SG : rot -78:sc= -2.35! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc=-0.00949 X(o=-0.0095,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 120:sc= -1.67! USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 -10.127 -1.484 -11.132 1.00 1.00 N ATOM 106 CA SER A 7 -11.438 -1.348 -11.743 1.00 1.00 C ATOM 107 C SER A 7 -11.728 -2.586 -12.595 1.00 1.00 C ATOM 108 O SER A 7 -10.810 -3.059 -13.280 1.00 1.00 O ATOM 109 CB SER A 7 -11.529 -0.082 -12.598 1.00 1.00 C ATOM 110 OG SER A 7 -10.297 0.210 -13.252 1.00 1.00 O ATOM 0 HA SER A 7 -12.182 -1.262 -10.951 1.00 1.00 H new ATOM 0 HB2 SER A 7 -12.315 -0.204 -13.343 1.00 1.00 H new ATOM 0 HB3 SER A 7 -11.814 0.761 -11.968 1.00 1.00 H new ATOM 0 HG SER A 7 -9.556 -0.178 -12.741 1.00 1.00 H new ATOM 116 N TYR A 8 -12.979 -3.076 -12.538 1.00 1.00 N ATOM 117 CA TYR A 8 -13.318 -4.253 -13.320 1.00 1.00 C ATOM 118 C TYR A 8 -13.709 -3.824 -14.735 1.00 1.00 C ATOM 119 O TYR A 8 -12.866 -3.951 -15.636 1.00 1.00 O ATOM 120 CB TYR A 8 -14.446 -5.042 -12.628 1.00 1.00 C ATOM 121 CG TYR A 8 -13.969 -6.035 -11.578 1.00 1.00 C ATOM 122 CD1 TYR A 8 -13.599 -5.581 -10.291 1.00 1.00 C ATOM 123 CD2 TYR A 8 -13.898 -7.415 -11.878 1.00 1.00 C ATOM 124 CE1 TYR A 8 -13.159 -6.497 -9.313 1.00 1.00 C ATOM 125 CE2 TYR A 8 -13.458 -8.332 -10.900 1.00 1.00 C ATOM 126 CZ TYR A 8 -13.088 -7.874 -9.616 1.00 1.00 C ATOM 127 OH TYR A 8 -12.660 -8.759 -8.667 1.00 1.00 O ATOM 0 H TYR A 8 -13.738 -2.686 -11.979 1.00 1.00 H new ATOM 0 HA TYR A 8 -12.455 -4.915 -13.391 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -15.130 -4.336 -12.158 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -15.014 -5.580 -13.387 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -13.654 -4.528 -10.056 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -14.181 -7.768 -12.859 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -12.876 -6.145 -8.332 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -13.404 -9.385 -11.133 1.00 1.00 H new ATOM 0 HH TYR A 8 -11.680 -8.787 -8.663 1.00 1.00 H new ATOM 137 N ILE A 9 -14.953 -3.342 -14.906 1.00 1.00 N ATOM 138 CA ILE A 9 -15.441 -2.912 -16.205 1.00 1.00 C ATOM 139 C ILE A 9 -14.325 -2.173 -16.945 1.00 1.00 C ATOM 140 O ILE A 9 -14.120 -2.454 -18.135 1.00 1.00 O ATOM 141 CB ILE A 9 -16.724 -2.092 -16.051 1.00 1.00 C ATOM 142 CG1 ILE A 9 -16.423 -0.704 -15.483 1.00 1.00 C ATOM 143 CG2 ILE A 9 -17.757 -2.844 -15.209 1.00 1.00 C ATOM 144 CD1 ILE A 9 -16.089 -0.782 -13.992 1.00 1.00 C ATOM 0 H ILE A 9 -15.632 -3.245 -14.151 1.00 1.00 H new ATOM 0 HA ILE A 9 -15.712 -3.774 -16.814 1.00 1.00 H new ATOM 0 HB ILE A 9 -17.158 -1.948 -17.040 1.00 1.00 H new ATOM 0 HG12 ILE A 9 -15.587 -0.259 -16.024 1.00 1.00 H new ATOM 0 HG13 ILE A 9 -17.283 -0.051 -15.633 1.00 1.00 H new ATOM 0 HG21 ILE A 9 -18.659 -2.240 -15.115 1.00 1.00 H new ATOM 0 HG22 ILE A 9 -18.002 -3.789 -15.693 1.00 1.00 H new ATOM 0 HG23 ILE A 9 -17.346 -3.040 -14.218 1.00 1.00 H new ATOM 0 HD11 ILE A 9 -15.879 0.218 -13.613 1.00 1.00 H new ATOM 0 HD12 ILE A 9 -16.936 -1.205 -13.451 1.00 1.00 H new ATOM 0 HD13 ILE A 9 -15.214 -1.416 -13.848 1.00 1.00 H new ATOM 156 N ALA A 10 -13.637 -1.258 -16.239 1.00 1.00 N ATOM 157 CA ALA A 10 -12.553 -0.489 -16.826 1.00 1.00 C ATOM 158 C ALA A 10 -11.476 -1.445 -17.344 1.00 1.00 C ATOM 159 O ALA A 10 -11.012 -1.251 -18.477 1.00 1.00 O ATOM 160 CB ALA A 10 -11.884 0.365 -15.746 1.00 1.00 C ATOM 0 H ALA A 10 -13.822 -1.041 -15.260 1.00 1.00 H new ATOM 0 HA ALA A 10 -12.962 0.129 -17.625 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -11.071 0.941 -16.189 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -12.618 1.046 -15.314 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -11.486 -0.283 -14.965 1.00 1.00 H new ATOM 166 N LEU A 11 -11.108 -2.441 -16.519 1.00 1.00 N ATOM 167 CA LEU A 11 -10.097 -3.416 -16.892 1.00 1.00 C ATOM 168 C LEU A 11 -10.553 -4.162 -18.148 1.00 1.00 C ATOM 169 O LEU A 11 -9.712 -4.409 -19.024 1.00 1.00 O ATOM 170 CB LEU A 11 -9.779 -4.336 -15.711 1.00 1.00 C ATOM 171 CG LEU A 11 -8.632 -3.890 -14.803 1.00 1.00 C ATOM 172 CD1 LEU A 11 -8.510 -4.806 -13.584 1.00 1.00 C ATOM 173 CD2 LEU A 11 -7.320 -3.795 -15.583 1.00 1.00 C ATOM 0 H LEU A 11 -11.503 -2.583 -15.589 1.00 1.00 H new ATOM 0 HA LEU A 11 -9.160 -2.918 -17.140 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -10.678 -4.438 -15.103 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -9.543 -5.326 -16.101 1.00 1.00 H new ATOM 0 HG LEU A 11 -8.859 -2.890 -14.433 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -7.687 -4.467 -12.955 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -9.438 -4.778 -13.013 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -8.318 -5.827 -13.914 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -6.521 -3.476 -14.914 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -7.074 -4.771 -16.002 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -7.428 -3.070 -16.390 1.00 1.00 H new ATOM 185 N ILE A 12 -11.853 -4.500 -18.209 1.00 1.00 N ATOM 186 CA ILE A 12 -12.411 -5.210 -19.347 1.00 1.00 C ATOM 187 C ILE A 12 -12.490 -4.262 -20.545 1.00 1.00 C ATOM 188 O ILE A 12 -12.125 -4.681 -21.654 1.00 1.00 O ATOM 189 CB ILE A 12 -13.753 -5.846 -18.977 1.00 1.00 C ATOM 190 CG1 ILE A 12 -13.574 -6.907 -17.889 1.00 1.00 C ATOM 191 CG2 ILE A 12 -14.454 -6.407 -20.215 1.00 1.00 C ATOM 192 CD1 ILE A 12 -12.583 -7.985 -18.331 1.00 1.00 C ATOM 0 H ILE A 12 -12.529 -4.287 -17.476 1.00 1.00 H new ATOM 0 HA ILE A 12 -11.762 -6.036 -19.636 1.00 1.00 H new ATOM 0 HB ILE A 12 -14.398 -5.069 -18.567 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -13.219 -6.436 -16.972 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -14.537 -7.365 -17.661 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -15.405 -6.853 -19.924 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -14.634 -5.602 -20.927 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -13.823 -7.166 -20.677 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -12.475 -8.726 -17.539 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -12.952 -8.470 -19.234 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -11.615 -7.528 -18.535 1.00 1.00 H new ATOM 204 N THR A 13 -12.958 -3.024 -20.305 1.00 1.00 N ATOM 205 CA THR A 13 -13.082 -2.030 -21.357 1.00 1.00 C ATOM 206 C THR A 13 -11.748 -1.905 -22.094 1.00 1.00 C ATOM 207 O THR A 13 -11.763 -1.821 -23.331 1.00 1.00 O ATOM 208 CB THR A 13 -13.557 -0.716 -20.733 1.00 1.00 C ATOM 209 OG1 THR A 13 -14.964 -0.890 -20.587 1.00 1.00 O ATOM 210 CG2 THR A 13 -13.427 0.469 -21.693 1.00 1.00 C ATOM 0 H THR A 13 -13.254 -2.699 -19.385 1.00 1.00 H new ATOM 0 HA THR A 13 -13.823 -2.323 -22.101 1.00 1.00 H new ATOM 0 HB THR A 13 -12.983 -0.516 -19.828 1.00 1.00 H new ATOM 0 HG1 THR A 13 -15.147 -1.414 -19.779 1.00 1.00 H new ATOM 0 HG21 THR A 13 -13.777 1.376 -21.201 1.00 1.00 H new ATOM 0 HG22 THR A 13 -12.383 0.592 -21.980 1.00 1.00 H new ATOM 0 HG23 THR A 13 -14.028 0.284 -22.583 1.00 1.00 H new ATOM 218 N MET A 14 -10.638 -1.894 -21.334 1.00 1.00 N ATOM 219 CA MET A 14 -9.310 -1.780 -21.912 1.00 1.00 C ATOM 220 C MET A 14 -8.849 -3.156 -22.396 1.00 1.00 C ATOM 221 O MET A 14 -7.911 -3.213 -23.204 1.00 1.00 O ATOM 222 CB MET A 14 -8.321 -1.246 -20.874 1.00 1.00 C ATOM 223 CG MET A 14 -8.246 -2.174 -19.660 1.00 1.00 C ATOM 224 SD MET A 14 -7.086 -1.502 -18.434 1.00 1.00 S ATOM 225 CE MET A 14 -5.880 -2.859 -18.362 1.00 1.00 C ATOM 0 H MET A 14 -10.647 -1.964 -20.316 1.00 1.00 H new ATOM 0 HA MET A 14 -9.347 -1.085 -22.751 1.00 1.00 H new ATOM 0 HB2 MET A 14 -7.333 -1.149 -21.324 1.00 1.00 H new ATOM 0 HB3 MET A 14 -8.625 -0.249 -20.556 1.00 1.00 H new ATOM 0 HG2 MET A 14 -9.235 -2.284 -19.215 1.00 1.00 H new ATOM 0 HG3 MET A 14 -7.924 -3.168 -19.971 1.00 1.00 H new ATOM 0 HE1 MET A 14 -5.217 -2.712 -17.509 1.00 1.00 H new ATOM 0 HE2 MET A 14 -6.406 -3.808 -18.254 1.00 1.00 H new ATOM 0 HE3 MET A 14 -5.292 -2.872 -19.280 1.00 1.00 H new ATOM 235 N ALA A 15 -9.506 -4.220 -21.900 1.00 1.00 N ATOM 236 CA ALA A 15 -9.166 -5.581 -22.280 1.00 1.00 C ATOM 237 C ALA A 15 -9.826 -5.912 -23.619 1.00 1.00 C ATOM 238 O ALA A 15 -9.131 -6.424 -24.509 1.00 1.00 O ATOM 239 CB ALA A 15 -9.749 -6.560 -21.259 1.00 1.00 C ATOM 0 H ALA A 15 -10.276 -4.151 -21.234 1.00 1.00 H new ATOM 0 HA ALA A 15 -8.081 -5.664 -22.335 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -9.493 -7.580 -21.546 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -9.337 -6.346 -20.273 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -10.833 -6.453 -21.230 1.00 1.00 H new ATOM 245 N ILE A 16 -11.134 -5.620 -23.735 1.00 1.00 N ATOM 246 CA ILE A 16 -11.878 -5.885 -24.955 1.00 1.00 C ATOM 247 C ILE A 16 -11.194 -5.180 -26.127 1.00 1.00 C ATOM 248 O ILE A 16 -10.877 -5.855 -27.118 1.00 1.00 O ATOM 249 CB ILE A 16 -13.349 -5.502 -24.779 1.00 1.00 C ATOM 250 CG1 ILE A 16 -13.957 -6.204 -23.564 1.00 1.00 C ATOM 251 CG2 ILE A 16 -14.143 -5.777 -26.058 1.00 1.00 C ATOM 252 CD1 ILE A 16 -13.370 -7.606 -23.389 1.00 1.00 C ATOM 0 H ILE A 16 -11.689 -5.199 -22.990 1.00 1.00 H new ATOM 0 HA ILE A 16 -11.876 -6.952 -25.179 1.00 1.00 H new ATOM 0 HB ILE A 16 -13.403 -4.430 -24.591 1.00 1.00 H new ATOM 0 HG12 ILE A 16 -13.770 -5.613 -22.667 1.00 1.00 H new ATOM 0 HG13 ILE A 16 -15.039 -6.271 -23.682 1.00 1.00 H new ATOM 0 HG21 ILE A 16 -15.185 -5.496 -25.907 1.00 1.00 H new ATOM 0 HG22 ILE A 16 -13.725 -5.193 -26.878 1.00 1.00 H new ATOM 0 HG23 ILE A 16 -14.085 -6.838 -26.301 1.00 1.00 H new ATOM 0 HD11 ILE A 16 -13.820 -8.083 -22.518 1.00 1.00 H new ATOM 0 HD12 ILE A 16 -13.580 -8.202 -24.277 1.00 1.00 H new ATOM 0 HD13 ILE A 16 -12.292 -7.534 -23.247 1.00 1.00 H new ATOM 264 N LEU A 17 -10.983 -3.858 -25.995 1.00 1.00 N ATOM 265 CA LEU A 17 -10.343 -3.072 -27.037 1.00 1.00 C ATOM 266 C LEU A 17 -8.972 -3.673 -27.353 1.00 1.00 C ATOM 267 O LEU A 17 -8.532 -3.564 -28.507 1.00 1.00 O ATOM 268 CB LEU A 17 -10.290 -1.596 -26.638 1.00 1.00 C ATOM 269 CG LEU A 17 -9.119 -1.184 -25.744 1.00 1.00 C ATOM 270 CD1 LEU A 17 -7.863 -0.915 -26.575 1.00 1.00 C ATOM 271 CD2 LEU A 17 -9.493 0.012 -24.867 1.00 1.00 C ATOM 0 H LEU A 17 -11.251 -3.321 -25.170 1.00 1.00 H new ATOM 0 HA LEU A 17 -10.928 -3.109 -27.956 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -10.256 -0.996 -27.547 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.219 -1.345 -26.125 1.00 1.00 H new ATOM 0 HG LEU A 17 -8.891 -2.014 -25.076 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -7.046 -0.624 -25.915 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -7.586 -1.818 -27.119 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -8.061 -0.111 -27.284 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -8.643 0.284 -24.241 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -9.763 0.857 -25.500 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -10.340 -0.252 -24.234 1.00 1.00 H new ATOM 283 N GLN A 18 -8.335 -4.286 -26.339 1.00 1.00 N ATOM 284 CA GLN A 18 -7.027 -4.897 -26.508 1.00 1.00 C ATOM 285 C GLN A 18 -7.088 -5.915 -27.649 1.00 1.00 C ATOM 286 O GLN A 18 -6.033 -6.221 -28.224 1.00 1.00 O ATOM 287 CB GLN A 18 -6.541 -5.553 -25.214 1.00 1.00 C ATOM 288 CG GLN A 18 -6.766 -7.066 -25.249 1.00 1.00 C ATOM 289 CD GLN A 18 -5.539 -7.790 -25.807 1.00 1.00 C ATOM 290 OE1 GLN A 18 -5.484 -8.171 -26.964 1.00 1.00 O ATOM 291 NE2 GLN A 18 -4.560 -7.957 -24.922 1.00 1.00 N ATOM 0 H GLN A 18 -8.716 -4.365 -25.396 1.00 1.00 H new ATOM 0 HA GLN A 18 -6.307 -4.118 -26.758 1.00 1.00 H new ATOM 0 HB2 GLN A 18 -5.481 -5.342 -25.071 1.00 1.00 H new ATOM 0 HB3 GLN A 18 -7.069 -5.123 -24.363 1.00 1.00 H new ATOM 0 HG2 GLN A 18 -6.981 -7.429 -24.244 1.00 1.00 H new ATOM 0 HG3 GLN A 18 -7.637 -7.294 -25.863 1.00 1.00 H new ATOM 0 HE21 GLN A 18 -4.671 -7.613 -23.968 1.00 1.00 H new ATOM 0 HE22 GLN A 18 -3.699 -8.429 -25.197 1.00 1.00 H new ATOM 300 N SER A 19 -8.302 -6.410 -27.950 1.00 1.00 N ATOM 301 CA SER A 19 -8.495 -7.383 -29.012 1.00 1.00 C ATOM 302 C SER A 19 -9.401 -6.782 -30.089 1.00 1.00 C ATOM 303 O SER A 19 -10.609 -7.058 -30.064 1.00 1.00 O ATOM 304 CB SER A 19 -9.097 -8.684 -28.477 1.00 1.00 C ATOM 305 OG SER A 19 -10.330 -8.462 -27.797 1.00 1.00 O ATOM 0 H SER A 19 -9.159 -6.144 -27.465 1.00 1.00 H new ATOM 0 HA SER A 19 -7.523 -7.625 -29.442 1.00 1.00 H new ATOM 0 HB2 SER A 19 -9.258 -9.376 -29.304 1.00 1.00 H new ATOM 0 HB3 SER A 19 -8.389 -9.159 -27.798 1.00 1.00 H new ATOM 0 HG SER A 19 -10.504 -7.499 -27.742 1.00 1.00 H new ATOM 311 N PRO A 20 -8.810 -5.988 -30.999 1.00 1.00 N ATOM 312 CA PRO A 20 -9.526 -5.341 -32.085 1.00 1.00 C ATOM 313 C PRO A 20 -9.879 -6.345 -33.184 1.00 1.00 C ATOM 314 O PRO A 20 -10.322 -5.912 -34.258 1.00 1.00 O ATOM 315 CB PRO A 20 -8.598 -4.236 -32.565 1.00 1.00 C ATOM 316 CG PRO A 20 -7.216 -4.599 -32.047 1.00 1.00 C ATOM 317 CD PRO A 20 -7.381 -5.685 -30.997 1.00 1.00 C ATOM 0 HA PRO A 20 -10.485 -4.929 -31.770 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -8.602 -4.168 -33.653 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -8.916 -3.266 -32.183 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -6.583 -4.950 -32.862 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -6.728 -3.724 -31.618 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -6.789 -6.567 -31.243 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -7.050 -5.342 -30.017 1.00 1.00 H new ATOM 325 N GLN A 21 -9.679 -7.644 -32.899 1.00 1.00 N ATOM 326 CA GLN A 21 -9.974 -8.697 -33.856 1.00 1.00 C ATOM 327 C GLN A 21 -11.364 -9.268 -33.567 1.00 1.00 C ATOM 328 O GLN A 21 -12.332 -8.812 -34.193 1.00 1.00 O ATOM 329 CB GLN A 21 -8.912 -9.797 -33.827 1.00 1.00 C ATOM 330 CG GLN A 21 -8.134 -9.774 -32.510 1.00 1.00 C ATOM 331 CD GLN A 21 -7.114 -10.912 -32.455 1.00 1.00 C ATOM 332 OE1 GLN A 21 -7.286 -11.902 -31.763 1.00 1.00 O ATOM 333 NE2 GLN A 21 -6.045 -10.718 -33.222 1.00 1.00 N ATOM 0 H GLN A 21 -9.313 -7.979 -32.008 1.00 1.00 H new ATOM 0 HA GLN A 21 -9.961 -8.271 -34.859 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -9.387 -10.770 -33.956 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -8.224 -9.665 -34.662 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -7.623 -8.817 -32.402 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -8.827 -9.861 -31.673 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -5.963 -9.866 -33.777 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -5.307 -11.421 -33.255 1.00 1.00 H new ATOM 342 N LYS A 22 -11.435 -10.239 -32.639 1.00 1.00 N ATOM 343 CA LYS A 22 -12.694 -10.865 -32.273 1.00 1.00 C ATOM 344 C LYS A 22 -12.413 -12.174 -31.533 1.00 1.00 C ATOM 345 O LYS A 22 -13.072 -13.178 -31.839 1.00 1.00 O ATOM 346 CB LYS A 22 -13.586 -11.034 -33.505 1.00 1.00 C ATOM 347 CG LYS A 22 -12.783 -11.564 -34.694 1.00 1.00 C ATOM 348 CD LYS A 22 -13.688 -12.306 -35.680 1.00 1.00 C ATOM 349 CE LYS A 22 -13.837 -13.777 -35.288 1.00 1.00 C ATOM 350 NZ LYS A 22 -12.795 -14.591 -35.936 1.00 1.00 N ATOM 0 H LYS A 22 -10.626 -10.600 -32.134 1.00 1.00 H new ATOM 0 HA LYS A 22 -13.252 -10.226 -31.589 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -14.401 -11.721 -33.277 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -14.039 -10.077 -33.765 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -12.288 -10.736 -35.201 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -12.000 -12.234 -34.339 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -14.669 -11.832 -35.706 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -13.273 -12.234 -36.685 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -13.766 -13.880 -34.205 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -14.823 -14.139 -35.579 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -12.910 -15.587 -35.659 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -12.881 -14.506 -36.969 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -11.857 -14.255 -35.638 1.00 1.00 H new ATOM 364 N LYS A 23 -11.455 -12.138 -30.589 1.00 1.00 N ATOM 365 CA LYS A 23 -11.092 -13.313 -29.816 1.00 1.00 C ATOM 366 C LYS A 23 -10.781 -12.895 -28.377 1.00 1.00 C ATOM 367 O LYS A 23 -9.765 -12.216 -28.167 1.00 1.00 O ATOM 368 CB LYS A 23 -9.951 -14.072 -30.496 1.00 1.00 C ATOM 369 CG LYS A 23 -10.469 -15.329 -31.197 1.00 1.00 C ATOM 370 CD LYS A 23 -9.856 -15.471 -32.592 1.00 1.00 C ATOM 371 CE LYS A 23 -8.589 -16.327 -32.549 1.00 1.00 C ATOM 372 NZ LYS A 23 -7.710 -16.004 -33.685 1.00 1.00 N ATOM 0 H LYS A 23 -10.924 -11.300 -30.352 1.00 1.00 H new ATOM 0 HA LYS A 23 -11.927 -14.013 -29.773 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -9.460 -13.423 -31.221 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -9.201 -14.348 -29.755 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -10.229 -16.208 -30.599 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -11.555 -15.284 -31.276 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -10.582 -15.923 -33.268 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -9.620 -14.485 -32.991 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -8.059 -16.156 -31.612 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -8.856 -17.384 -32.577 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -6.855 -16.594 -33.641 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -8.213 -16.189 -34.576 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -7.441 -15.000 -33.641 1.00 1.00 H new ATOM 386 N LEU A 24 -11.646 -13.302 -27.431 1.00 1.00 N ATOM 387 CA LEU A 24 -11.465 -12.972 -26.028 1.00 1.00 C ATOM 388 C LEU A 24 -11.128 -14.245 -25.249 1.00 1.00 C ATOM 389 O LEU A 24 -12.057 -14.887 -24.737 1.00 1.00 O ATOM 390 CB LEU A 24 -12.688 -12.228 -25.490 1.00 1.00 C ATOM 391 CG LEU A 24 -12.553 -10.708 -25.376 1.00 1.00 C ATOM 392 CD1 LEU A 24 -11.436 -10.328 -24.402 1.00 1.00 C ATOM 393 CD2 LEU A 24 -12.353 -10.071 -26.753 1.00 1.00 C ATOM 0 H LEU A 24 -12.476 -13.861 -27.626 1.00 1.00 H new ATOM 0 HA LEU A 24 -10.625 -12.289 -25.903 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -13.537 -12.450 -26.137 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -12.926 -12.627 -24.504 1.00 1.00 H new ATOM 0 HG LEU A 24 -13.484 -10.312 -24.969 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -11.361 -9.242 -24.340 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -11.660 -10.734 -23.415 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -10.490 -10.737 -24.756 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -12.260 -8.990 -26.644 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -11.447 -10.469 -27.210 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -13.210 -10.299 -27.387 1.00 1.00 H new ATOM 405 N THR A 25 -9.827 -14.579 -25.175 1.00 1.00 N ATOM 406 CA THR A 25 -9.375 -15.763 -24.464 1.00 1.00 C ATOM 407 C THR A 25 -9.092 -15.400 -23.005 1.00 1.00 C ATOM 408 O THR A 25 -8.045 -14.791 -22.741 1.00 1.00 O ATOM 409 CB THR A 25 -8.159 -16.337 -25.194 1.00 1.00 C ATOM 410 OG1 THR A 25 -8.484 -16.195 -26.575 1.00 1.00 O ATOM 411 CG2 THR A 25 -8.018 -17.848 -24.999 1.00 1.00 C ATOM 0 H THR A 25 -9.077 -14.037 -25.604 1.00 1.00 H new ATOM 0 HA THR A 25 -10.141 -16.538 -24.449 1.00 1.00 H new ATOM 0 HB THR A 25 -7.256 -15.839 -24.841 1.00 1.00 H new ATOM 0 HG1 THR A 25 -9.086 -16.919 -26.846 1.00 1.00 H new ATOM 0 HG21 THR A 25 -7.140 -18.204 -25.538 1.00 1.00 H new ATOM 0 HG22 THR A 25 -7.907 -18.069 -23.937 1.00 1.00 H new ATOM 0 HG23 THR A 25 -8.907 -18.349 -25.383 1.00 1.00 H new ATOM 419 N LEU A 26 -10.015 -15.775 -22.101 1.00 1.00 N ATOM 420 CA LEU A 26 -9.865 -15.491 -20.684 1.00 1.00 C ATOM 421 C LEU A 26 -8.422 -15.775 -20.261 1.00 1.00 C ATOM 422 O LEU A 26 -7.911 -15.057 -19.389 1.00 1.00 O ATOM 423 CB LEU A 26 -10.907 -16.261 -19.870 1.00 1.00 C ATOM 424 CG LEU A 26 -10.527 -17.689 -19.474 1.00 1.00 C ATOM 425 CD1 LEU A 26 -10.212 -17.778 -17.979 1.00 1.00 C ATOM 426 CD2 LEU A 26 -11.614 -18.681 -19.890 1.00 1.00 C ATOM 0 H LEU A 26 -10.871 -16.276 -22.339 1.00 1.00 H new ATOM 0 HA LEU A 26 -10.054 -14.436 -20.485 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -11.118 -15.697 -18.961 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -11.833 -16.299 -20.444 1.00 1.00 H new ATOM 0 HG LEU A 26 -9.619 -17.962 -20.012 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -9.945 -18.804 -17.724 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -9.379 -17.116 -17.743 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -11.088 -17.477 -17.404 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -11.319 -19.688 -19.597 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -12.552 -18.420 -19.399 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -11.747 -18.642 -20.971 1.00 1.00 H new ATOM 438 N SER A 27 -7.804 -16.798 -20.878 1.00 1.00 N ATOM 439 CA SER A 27 -6.434 -17.170 -20.567 1.00 1.00 C ATOM 440 C SER A 27 -5.534 -15.940 -20.699 1.00 1.00 C ATOM 441 O SER A 27 -4.719 -15.706 -19.795 1.00 1.00 O ATOM 442 CB SER A 27 -5.938 -18.292 -21.481 1.00 1.00 C ATOM 443 OG SER A 27 -6.331 -19.578 -21.009 1.00 1.00 O ATOM 0 H SER A 27 -8.243 -17.376 -21.595 1.00 1.00 H new ATOM 0 HA SER A 27 -6.400 -17.542 -19.543 1.00 1.00 H new ATOM 0 HB2 SER A 27 -6.329 -18.140 -22.487 1.00 1.00 H new ATOM 0 HB3 SER A 27 -4.851 -18.248 -21.552 1.00 1.00 H new ATOM 0 HG SER A 27 -5.997 -20.267 -21.620 1.00 1.00 H new ATOM 449 N GLY A 28 -5.695 -15.192 -21.806 1.00 1.00 N ATOM 450 CA GLY A 28 -4.903 -13.999 -22.051 1.00 1.00 C ATOM 451 C GLY A 28 -5.450 -12.846 -21.207 1.00 1.00 C ATOM 452 O GLY A 28 -4.727 -11.857 -21.020 1.00 1.00 O ATOM 0 H GLY A 28 -6.371 -15.404 -22.540 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -3.858 -14.184 -21.801 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -4.936 -13.738 -23.109 1.00 1.00 H new ATOM 456 N ILE A 29 -6.696 -12.993 -20.722 1.00 1.00 N ATOM 457 CA ILE A 29 -7.331 -11.972 -19.906 1.00 1.00 C ATOM 458 C ILE A 29 -6.760 -12.031 -18.488 1.00 1.00 C ATOM 459 O ILE A 29 -6.323 -10.985 -17.984 1.00 1.00 O ATOM 460 CB ILE A 29 -8.853 -12.110 -19.963 1.00 1.00 C ATOM 461 CG1 ILE A 29 -9.349 -12.115 -21.411 1.00 1.00 C ATOM 462 CG2 ILE A 29 -9.534 -11.025 -19.127 1.00 1.00 C ATOM 463 CD1 ILE A 29 -8.871 -10.868 -22.158 1.00 1.00 C ATOM 0 H ILE A 29 -7.275 -13.816 -20.888 1.00 1.00 H new ATOM 0 HA ILE A 29 -7.110 -10.979 -20.298 1.00 1.00 H new ATOM 0 HB ILE A 29 -9.126 -13.071 -19.526 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -8.988 -13.009 -21.920 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -10.438 -12.157 -21.426 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -10.616 -11.146 -19.185 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -9.214 -11.112 -18.089 1.00 1.00 H new ATOM 0 HG23 ILE A 29 -9.258 -10.043 -19.511 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -9.237 -10.896 -23.184 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -9.254 -9.977 -21.661 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -7.781 -10.842 -22.162 1.00 1.00 H new ATOM 475 N CYS A 30 -6.776 -13.231 -17.882 1.00 1.00 N ATOM 476 CA CYS A 30 -6.264 -13.421 -16.535 1.00 1.00 C ATOM 477 C CYS A 30 -4.805 -12.964 -16.480 1.00 1.00 C ATOM 478 O CYS A 30 -4.442 -12.262 -15.525 1.00 1.00 O ATOM 479 CB CYS A 30 -6.425 -14.873 -16.083 1.00 1.00 C ATOM 480 SG CYS A 30 -5.409 -16.073 -16.993 1.00 1.00 S ATOM 0 H CYS A 30 -7.141 -14.079 -18.314 1.00 1.00 H new ATOM 0 HA CYS A 30 -6.843 -12.814 -15.840 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -6.177 -14.938 -15.024 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -7.473 -15.156 -16.183 1.00 1.00 H new ATOM 0 HG CYS A 30 -5.290 -15.691 -18.230 1.00 1.00 H new ATOM 486 N GLU A 31 -4.010 -13.366 -17.488 1.00 1.00 N ATOM 487 CA GLU A 31 -2.605 -13.000 -17.553 1.00 1.00 C ATOM 488 C GLU A 31 -2.484 -11.526 -17.944 1.00 1.00 C ATOM 489 O GLU A 31 -1.452 -10.915 -17.627 1.00 1.00 O ATOM 490 CB GLU A 31 -1.837 -13.891 -18.531 1.00 1.00 C ATOM 491 CG GLU A 31 -0.327 -13.719 -18.361 1.00 1.00 C ATOM 492 CD GLU A 31 0.365 -13.566 -19.717 1.00 1.00 C ATOM 493 OE1 GLU A 31 -0.152 -14.260 -20.674 1.00 1.00 O ATOM 494 OE2 GLU A 31 1.347 -12.818 -19.831 1.00 1.00 O ATOM 0 H GLU A 31 -4.328 -13.945 -18.265 1.00 1.00 H new ATOM 0 HA GLU A 31 -2.159 -13.150 -16.570 1.00 1.00 H new ATOM 0 HB2 GLU A 31 -2.108 -14.934 -18.368 1.00 1.00 H new ATOM 0 HB3 GLU A 31 -2.122 -13.644 -19.554 1.00 1.00 H new ATOM 0 HG2 GLU A 31 -0.125 -12.843 -17.745 1.00 1.00 H new ATOM 0 HG3 GLU A 31 0.084 -14.581 -17.835 1.00 1.00 H new ATOM 501 N PHE A 32 -3.521 -10.992 -18.613 1.00 1.00 N ATOM 502 CA PHE A 32 -3.530 -9.604 -19.040 1.00 1.00 C ATOM 503 C PHE A 32 -3.726 -8.700 -17.821 1.00 1.00 C ATOM 504 O PHE A 32 -3.008 -7.695 -17.710 1.00 1.00 O ATOM 505 CB PHE A 32 -4.663 -9.394 -20.063 1.00 1.00 C ATOM 506 CG PHE A 32 -5.168 -7.961 -20.168 1.00 1.00 C ATOM 507 CD1 PHE A 32 -4.444 -7.009 -20.923 1.00 1.00 C ATOM 508 CD2 PHE A 32 -6.363 -7.575 -19.519 1.00 1.00 C ATOM 509 CE1 PHE A 32 -4.911 -5.681 -21.025 1.00 1.00 C ATOM 510 CE2 PHE A 32 -6.830 -6.247 -19.622 1.00 1.00 C ATOM 511 CZ PHE A 32 -6.104 -5.300 -20.375 1.00 1.00 C ATOM 0 H PHE A 32 -4.361 -11.513 -18.865 1.00 1.00 H new ATOM 0 HA PHE A 32 -2.581 -9.351 -19.512 1.00 1.00 H new ATOM 0 HB2 PHE A 32 -4.312 -9.714 -21.044 1.00 1.00 H new ATOM 0 HB3 PHE A 32 -5.499 -10.041 -19.797 1.00 1.00 H new ATOM 0 HD1 PHE A 32 -3.532 -7.299 -21.423 1.00 1.00 H new ATOM 0 HD2 PHE A 32 -6.920 -8.298 -18.943 1.00 1.00 H new ATOM 0 HE1 PHE A 32 -4.355 -4.956 -21.601 1.00 1.00 H new ATOM 0 HE2 PHE A 32 -7.743 -5.956 -19.124 1.00 1.00 H new ATOM 0 HZ PHE A 32 -6.461 -4.284 -20.454 1.00 1.00 H new ATOM 521 N ILE A 33 -4.677 -9.069 -16.945 1.00 1.00 N ATOM 522 CA ILE A 33 -4.962 -8.298 -15.747 1.00 1.00 C ATOM 523 C ILE A 33 -3.725 -8.289 -14.845 1.00 1.00 C ATOM 524 O ILE A 33 -3.335 -7.204 -14.389 1.00 1.00 O ATOM 525 CB ILE A 33 -6.222 -8.824 -15.057 1.00 1.00 C ATOM 526 CG1 ILE A 33 -7.436 -8.722 -15.982 1.00 1.00 C ATOM 527 CG2 ILE A 33 -6.456 -8.112 -13.724 1.00 1.00 C ATOM 528 CD1 ILE A 33 -7.590 -7.302 -16.530 1.00 1.00 C ATOM 0 H ILE A 33 -5.257 -9.901 -17.055 1.00 1.00 H new ATOM 0 HA ILE A 33 -5.178 -7.261 -16.004 1.00 1.00 H new ATOM 0 HB ILE A 33 -6.074 -9.881 -14.835 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -7.328 -9.425 -16.808 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -8.337 -9.005 -15.438 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -7.358 -8.505 -13.255 1.00 1.00 H new ATOM 0 HG22 ILE A 33 -5.603 -8.280 -13.067 1.00 1.00 H new ATOM 0 HG23 ILE A 33 -6.575 -7.043 -13.899 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -8.460 -7.257 -17.185 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -7.722 -6.605 -15.702 1.00 1.00 H new ATOM 0 HD13 ILE A 33 -6.698 -7.031 -17.094 1.00 1.00 H new ATOM 540 N SER A 34 -3.144 -9.479 -14.609 1.00 1.00 N ATOM 541 CA SER A 34 -1.964 -9.607 -13.771 1.00 1.00 C ATOM 542 C SER A 34 -0.749 -9.052 -14.518 1.00 1.00 C ATOM 543 O SER A 34 0.257 -8.747 -13.863 1.00 1.00 O ATOM 544 CB SER A 34 -1.719 -11.062 -13.366 1.00 1.00 C ATOM 545 OG SER A 34 -0.647 -11.184 -12.436 1.00 1.00 O ATOM 0 H SER A 34 -3.482 -10.361 -14.993 1.00 1.00 H new ATOM 0 HA SER A 34 -2.126 -9.036 -12.857 1.00 1.00 H new ATOM 0 HB2 SER A 34 -2.628 -11.474 -12.928 1.00 1.00 H new ATOM 0 HB3 SER A 34 -1.497 -11.653 -14.254 1.00 1.00 H new ATOM 0 HG SER A 34 0.117 -11.615 -12.872 1.00 1.00 H new ATOM 551 N ASN A 35 -0.866 -8.935 -15.853 1.00 1.00 N ATOM 552 CA ASN A 35 0.215 -8.422 -16.678 1.00 1.00 C ATOM 553 C ASN A 35 0.571 -7.006 -16.223 1.00 1.00 C ATOM 554 O ASN A 35 1.766 -6.677 -16.198 1.00 1.00 O ATOM 555 CB ASN A 35 -0.200 -8.356 -18.150 1.00 1.00 C ATOM 556 CG ASN A 35 0.833 -9.046 -19.042 1.00 1.00 C ATOM 557 OD1 ASN A 35 2.012 -8.732 -19.029 1.00 1.00 O ATOM 558 ND2 ASN A 35 0.327 -10.002 -19.816 1.00 1.00 N ATOM 0 H ASN A 35 -1.705 -9.192 -16.374 1.00 1.00 H new ATOM 0 HA ASN A 35 1.067 -9.093 -16.573 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -1.172 -8.831 -18.279 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -0.311 -7.315 -18.454 1.00 1.00 H new ATOM 0 HD21 ASN A 35 0.936 -10.522 -20.448 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -0.670 -10.215 -19.778 1.00 1.00 H new ATOM 565 N ARG A 36 -0.456 -6.209 -15.877 1.00 1.00 N ATOM 566 CA ARG A 36 -0.253 -4.842 -15.428 1.00 1.00 C ATOM 567 C ARG A 36 -0.105 -4.827 -13.905 1.00 1.00 C ATOM 568 O ARG A 36 0.732 -4.064 -13.401 1.00 1.00 O ATOM 569 CB ARG A 36 -1.419 -3.937 -15.829 1.00 1.00 C ATOM 570 CG ARG A 36 -1.688 -4.023 -17.333 1.00 1.00 C ATOM 571 CD ARG A 36 -0.556 -3.372 -18.130 1.00 1.00 C ATOM 572 NE ARG A 36 -1.103 -2.335 -19.033 1.00 1.00 N ATOM 573 CZ ARG A 36 -0.376 -1.682 -19.965 1.00 1.00 C ATOM 574 NH1 ARG A 36 0.924 -1.976 -20.097 1.00 1.00 N ATOM 575 NH2 ARG A 36 -0.947 -0.755 -20.746 1.00 1.00 N ATOM 0 H ARG A 36 -1.433 -6.500 -15.904 1.00 1.00 H new ATOM 0 HA ARG A 36 0.651 -4.461 -15.904 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -2.314 -4.226 -15.279 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -1.195 -2.906 -15.554 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -1.792 -5.067 -17.628 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -2.632 -3.530 -17.566 1.00 1.00 H new ATOM 0 HD2 ARG A 36 0.170 -2.927 -17.449 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -0.027 -4.128 -18.710 1.00 1.00 H new ATOM 0 HE ARG A 36 -2.091 -2.099 -18.946 1.00 1.00 H new ATOM 0 HH11 ARG A 36 1.350 -2.684 -19.499 1.00 1.00 H new ATOM 0 HH12 ARG A 36 1.488 -1.492 -20.796 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -1.938 -0.538 -20.639 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -0.391 -0.266 -21.448 1.00 1.00 H new ATOM 589 N PHE A 37 -0.907 -5.657 -13.214 1.00 1.00 N ATOM 590 CA PHE A 37 -0.864 -5.739 -11.764 1.00 1.00 C ATOM 591 C PHE A 37 -0.582 -7.183 -11.346 1.00 1.00 C ATOM 592 O PHE A 37 -1.543 -7.917 -11.073 1.00 1.00 O ATOM 593 CB PHE A 37 -2.211 -5.257 -11.189 1.00 1.00 C ATOM 594 CG PHE A 37 -2.928 -4.216 -12.039 1.00 1.00 C ATOM 595 CD1 PHE A 37 -2.195 -3.191 -12.682 1.00 1.00 C ATOM 596 CD2 PHE A 37 -4.333 -4.266 -12.184 1.00 1.00 C ATOM 597 CE1 PHE A 37 -2.864 -2.226 -13.465 1.00 1.00 C ATOM 598 CE2 PHE A 37 -5.001 -3.300 -12.967 1.00 1.00 C ATOM 599 CZ PHE A 37 -4.266 -2.280 -13.608 1.00 1.00 C ATOM 0 H PHE A 37 -1.590 -6.277 -13.648 1.00 1.00 H new ATOM 0 HA PHE A 37 -0.069 -5.103 -11.375 1.00 1.00 H new ATOM 0 HB2 PHE A 37 -2.867 -6.119 -11.064 1.00 1.00 H new ATOM 0 HB3 PHE A 37 -2.039 -4.840 -10.197 1.00 1.00 H new ATOM 0 HD1 PHE A 37 -1.121 -3.147 -12.573 1.00 1.00 H new ATOM 0 HD2 PHE A 37 -4.897 -5.046 -11.694 1.00 1.00 H new ATOM 0 HE1 PHE A 37 -2.302 -1.445 -13.955 1.00 1.00 H new ATOM 0 HE2 PHE A 37 -6.075 -3.342 -13.076 1.00 1.00 H new ATOM 0 HZ PHE A 37 -4.777 -1.541 -14.208 1.00 1.00 H new ATOM 609 N PRO A 38 0.709 -7.557 -11.307 1.00 1.00 N ATOM 610 CA PRO A 38 1.147 -8.891 -10.931 1.00 1.00 C ATOM 611 C PRO A 38 1.034 -9.099 -9.420 1.00 1.00 C ATOM 612 O PRO A 38 0.850 -10.249 -8.995 1.00 1.00 O ATOM 613 CB PRO A 38 2.576 -8.994 -11.440 1.00 1.00 C ATOM 614 CG PRO A 38 3.042 -7.565 -11.666 1.00 1.00 C ATOM 615 CD PRO A 38 1.817 -6.665 -11.637 1.00 1.00 C ATOM 0 HA PRO A 38 0.527 -9.675 -11.364 1.00 1.00 H new ATOM 0 HB2 PRO A 38 3.213 -9.503 -10.716 1.00 1.00 H new ATOM 0 HB3 PRO A 38 2.621 -9.570 -12.364 1.00 1.00 H new ATOM 0 HG2 PRO A 38 3.752 -7.268 -10.894 1.00 1.00 H new ATOM 0 HG3 PRO A 38 3.557 -7.478 -12.623 1.00 1.00 H new ATOM 0 HD2 PRO A 38 1.924 -5.875 -10.894 1.00 1.00 H new ATOM 0 HD3 PRO A 38 1.660 -6.178 -12.600 1.00 1.00 H new ATOM 623 N TYR A 39 1.145 -8.002 -8.650 1.00 1.00 N ATOM 624 CA TYR A 39 1.052 -8.133 -7.206 1.00 1.00 C ATOM 625 C TYR A 39 -0.397 -8.439 -6.819 1.00 1.00 C ATOM 626 O TYR A 39 -0.595 -9.138 -5.815 1.00 1.00 O ATOM 627 CB TYR A 39 1.569 -6.853 -6.524 1.00 1.00 C ATOM 628 CG TYR A 39 1.040 -6.632 -5.114 1.00 1.00 C ATOM 629 CD1 TYR A 39 -0.226 -6.034 -4.910 1.00 1.00 C ATOM 630 CD2 TYR A 39 1.817 -7.018 -3.997 1.00 1.00 C ATOM 631 CE1 TYR A 39 -0.711 -5.828 -3.601 1.00 1.00 C ATOM 632 CE2 TYR A 39 1.332 -6.812 -2.689 1.00 1.00 C ATOM 633 CZ TYR A 39 0.068 -6.217 -2.489 1.00 1.00 C ATOM 634 OH TYR A 39 -0.399 -6.020 -1.220 1.00 1.00 O ATOM 0 H TYR A 39 1.293 -7.054 -8.996 1.00 1.00 H new ATOM 0 HA TYR A 39 1.677 -8.958 -6.865 1.00 1.00 H new ATOM 0 HB2 TYR A 39 2.658 -6.890 -6.488 1.00 1.00 H new ATOM 0 HB3 TYR A 39 1.299 -5.994 -7.139 1.00 1.00 H new ATOM 0 HD1 TYR A 39 -0.823 -5.734 -5.759 1.00 1.00 H new ATOM 0 HD2 TYR A 39 2.785 -7.472 -4.146 1.00 1.00 H new ATOM 0 HE1 TYR A 39 -1.678 -5.373 -3.449 1.00 1.00 H new ATOM 0 HE2 TYR A 39 1.928 -7.110 -1.839 1.00 1.00 H new ATOM 0 HH TYR A 39 0.262 -6.346 -0.574 1.00 1.00 H new ATOM 644 N TYR A 40 -1.360 -7.916 -7.598 1.00 1.00 N ATOM 645 CA TYR A 40 -2.753 -8.163 -7.268 1.00 1.00 C ATOM 646 C TYR A 40 -3.056 -9.653 -7.434 1.00 1.00 C ATOM 647 O TYR A 40 -3.753 -10.205 -6.570 1.00 1.00 O ATOM 648 CB TYR A 40 -3.668 -7.291 -8.148 1.00 1.00 C ATOM 649 CG TYR A 40 -4.674 -6.449 -7.374 1.00 1.00 C ATOM 650 CD1 TYR A 40 -4.325 -5.889 -6.124 1.00 1.00 C ATOM 651 CD2 TYR A 40 -5.966 -6.229 -7.903 1.00 1.00 C ATOM 652 CE1 TYR A 40 -5.262 -5.112 -5.409 1.00 1.00 C ATOM 653 CE2 TYR A 40 -6.903 -5.452 -7.188 1.00 1.00 C ATOM 654 CZ TYR A 40 -6.551 -4.892 -5.940 1.00 1.00 C ATOM 655 OH TYR A 40 -7.460 -4.140 -5.252 1.00 1.00 O ATOM 0 H TYR A 40 -1.199 -7.343 -8.426 1.00 1.00 H new ATOM 0 HA TYR A 40 -2.944 -7.891 -6.230 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -3.047 -6.629 -8.751 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -4.209 -7.937 -8.839 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -3.339 -6.056 -5.715 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -6.237 -6.657 -8.857 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -4.992 -4.685 -4.454 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -7.889 -5.286 -7.595 1.00 1.00 H new ATOM 0 HH TYR A 40 -8.295 -4.089 -5.762 1.00 1.00 H new ATOM 665 N ARG A 41 -2.546 -10.263 -8.519 1.00 1.00 N ATOM 666 CA ARG A 41 -2.774 -11.672 -8.789 1.00 1.00 C ATOM 667 C ARG A 41 -2.120 -12.509 -7.688 1.00 1.00 C ATOM 668 O ARG A 41 -2.660 -13.576 -7.358 1.00 1.00 O ATOM 669 CB ARG A 41 -2.199 -12.087 -10.145 1.00 1.00 C ATOM 670 CG ARG A 41 -2.481 -13.563 -10.432 1.00 1.00 C ATOM 671 CD ARG A 41 -1.591 -14.081 -11.563 1.00 1.00 C ATOM 672 NE ARG A 41 -0.373 -14.707 -11.002 1.00 1.00 N ATOM 673 CZ ARG A 41 0.433 -15.545 -11.689 1.00 1.00 C ATOM 674 NH1 ARG A 41 0.128 -15.843 -12.960 1.00 1.00 N ATOM 675 NH2 ARG A 41 1.520 -16.072 -11.109 1.00 1.00 N ATOM 0 H ARG A 41 -1.973 -9.790 -9.218 1.00 1.00 H new ATOM 0 HA ARG A 41 -3.850 -11.842 -8.811 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -2.633 -11.470 -10.932 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -1.124 -11.909 -10.158 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -2.310 -14.152 -9.531 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -3.529 -13.691 -10.702 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -2.139 -14.806 -12.165 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -1.316 -13.260 -12.225 1.00 1.00 H new ATOM 0 HE ARG A 41 -0.127 -14.492 -10.036 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -0.702 -15.439 -13.394 1.00 1.00 H new ATOM 0 HH12 ARG A 41 0.726 -16.474 -13.493 1.00 1.00 H new ATOM 0 HH21 ARG A 41 1.744 -15.841 -10.141 1.00 1.00 H new ATOM 0 HH22 ARG A 41 2.123 -16.704 -11.635 1.00 1.00 H new ATOM 689 N GLU A 42 -0.989 -12.019 -7.150 1.00 1.00 N ATOM 690 CA GLU A 42 -0.271 -12.717 -6.097 1.00 1.00 C ATOM 691 C GLU A 42 -1.115 -12.713 -4.821 1.00 1.00 C ATOM 692 O GLU A 42 -1.039 -13.689 -4.060 1.00 1.00 O ATOM 693 CB GLU A 42 1.104 -12.096 -5.846 1.00 1.00 C ATOM 694 CG GLU A 42 2.201 -13.162 -5.876 1.00 1.00 C ATOM 695 CD GLU A 42 2.281 -13.904 -4.540 1.00 1.00 C ATOM 696 OE1 GLU A 42 1.578 -14.907 -4.345 1.00 1.00 O ATOM 697 OE2 GLU A 42 3.109 -13.404 -3.687 1.00 1.00 O ATOM 0 H GLU A 42 -0.561 -11.139 -7.436 1.00 1.00 H new ATOM 0 HA GLU A 42 -0.101 -13.746 -6.414 1.00 1.00 H new ATOM 0 HB2 GLU A 42 1.308 -11.338 -6.602 1.00 1.00 H new ATOM 0 HB3 GLU A 42 1.108 -11.592 -4.880 1.00 1.00 H new ATOM 0 HG2 GLU A 42 2.002 -13.872 -6.679 1.00 1.00 H new ATOM 0 HG3 GLU A 42 3.161 -12.695 -6.095 1.00 1.00 H new ATOM 704 N LYS A 43 -1.890 -11.633 -4.615 1.00 1.00 N ATOM 705 CA LYS A 43 -2.738 -11.506 -3.442 1.00 1.00 C ATOM 706 C LYS A 43 -4.061 -12.232 -3.694 1.00 1.00 C ATOM 707 O LYS A 43 -4.630 -12.772 -2.734 1.00 1.00 O ATOM 708 CB LYS A 43 -2.907 -10.035 -3.060 1.00 1.00 C ATOM 709 CG LYS A 43 -3.148 -9.882 -1.557 1.00 1.00 C ATOM 710 CD LYS A 43 -4.635 -10.019 -1.222 1.00 1.00 C ATOM 711 CE LYS A 43 -4.832 -10.437 0.236 1.00 1.00 C ATOM 712 NZ LYS A 43 -6.140 -11.090 0.412 1.00 1.00 N ATOM 0 H LYS A 43 -1.938 -10.840 -5.254 1.00 1.00 H new ATOM 0 HA LYS A 43 -2.271 -11.983 -2.581 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -2.016 -9.476 -3.348 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -3.744 -9.606 -3.611 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -2.579 -10.637 -1.015 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -2.785 -8.910 -1.224 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -5.141 -9.071 -1.404 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -5.093 -10.757 -1.881 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -4.035 -11.118 0.536 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -4.765 -9.563 0.884 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -6.258 -11.368 1.407 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -6.897 -10.429 0.145 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -6.190 -11.935 -0.192 1.00 1.00 H new ATOM 726 N PHE A 44 -4.518 -12.230 -4.959 1.00 1.00 N ATOM 727 CA PHE A 44 -5.761 -12.884 -5.330 1.00 1.00 C ATOM 728 C PHE A 44 -5.674 -13.349 -6.785 1.00 1.00 C ATOM 729 O PHE A 44 -6.033 -12.567 -7.676 1.00 1.00 O ATOM 730 CB PHE A 44 -6.930 -11.897 -5.140 1.00 1.00 C ATOM 731 CG PHE A 44 -8.305 -12.548 -5.063 1.00 1.00 C ATOM 732 CD1 PHE A 44 -8.419 -13.936 -4.820 1.00 1.00 C ATOM 733 CD2 PHE A 44 -9.474 -11.769 -5.227 1.00 1.00 C ATOM 734 CE1 PHE A 44 -9.691 -14.541 -4.744 1.00 1.00 C ATOM 735 CE2 PHE A 44 -10.746 -12.375 -5.150 1.00 1.00 C ATOM 736 CZ PHE A 44 -10.855 -13.761 -4.910 1.00 1.00 C ATOM 0 H PHE A 44 -4.035 -11.778 -5.735 1.00 1.00 H new ATOM 0 HA PHE A 44 -5.932 -13.754 -4.697 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -6.761 -11.326 -4.227 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -6.925 -11.186 -5.966 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -7.529 -14.535 -4.692 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -9.393 -10.708 -5.412 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -9.774 -15.602 -4.559 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -11.637 -11.777 -5.275 1.00 1.00 H new ATOM 0 HZ PHE A 44 -11.829 -14.225 -4.853 1.00 1.00 H new ATOM 746 N PRO A 45 -5.207 -14.593 -6.992 1.00 1.00 N ATOM 747 CA PRO A 45 -5.062 -15.186 -8.311 1.00 1.00 C ATOM 748 C PRO A 45 -6.421 -15.596 -8.880 1.00 1.00 C ATOM 749 O PRO A 45 -6.446 -16.262 -9.925 1.00 1.00 O ATOM 750 CB PRO A 45 -4.121 -16.364 -8.111 1.00 1.00 C ATOM 751 CG PRO A 45 -4.144 -16.667 -6.622 1.00 1.00 C ATOM 752 CD PRO A 45 -4.792 -15.488 -5.915 1.00 1.00 C ATOM 0 HA PRO A 45 -4.656 -14.489 -9.044 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -4.448 -17.228 -8.690 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -3.112 -16.119 -8.444 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -4.703 -17.582 -6.428 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -3.132 -16.826 -6.249 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -5.644 -15.806 -5.314 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -4.091 -14.997 -5.240 1.00 1.00 H new ATOM 760 N ALA A 46 -7.507 -15.197 -8.193 1.00 1.00 N ATOM 761 CA ALA A 46 -8.855 -15.521 -8.628 1.00 1.00 C ATOM 762 C ALA A 46 -9.307 -14.502 -9.676 1.00 1.00 C ATOM 763 O ALA A 46 -10.521 -14.377 -9.892 1.00 1.00 O ATOM 764 CB ALA A 46 -9.822 -15.384 -7.451 1.00 1.00 C ATOM 0 H ALA A 46 -7.465 -14.649 -7.334 1.00 1.00 H new ATOM 0 HA ALA A 46 -8.855 -16.536 -9.026 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -10.832 -15.628 -7.780 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -9.525 -16.067 -6.655 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -9.799 -14.360 -7.078 1.00 1.00 H new ATOM 770 N TRP A 47 -8.338 -13.804 -10.295 1.00 1.00 N ATOM 771 CA TRP A 47 -8.635 -12.807 -11.309 1.00 1.00 C ATOM 772 C TRP A 47 -9.006 -13.510 -12.616 1.00 1.00 C ATOM 773 O TRP A 47 -9.357 -12.814 -13.580 1.00 1.00 O ATOM 774 CB TRP A 47 -7.459 -11.841 -11.462 1.00 1.00 C ATOM 775 CG TRP A 47 -7.416 -10.739 -10.402 1.00 1.00 C ATOM 776 CD1 TRP A 47 -6.497 -10.550 -9.444 1.00 1.00 C ATOM 777 CD2 TRP A 47 -8.374 -9.674 -10.229 1.00 1.00 C ATOM 778 NE1 TRP A 47 -6.793 -9.447 -8.670 1.00 1.00 N ATOM 779 CE2 TRP A 47 -7.970 -8.896 -9.163 1.00 1.00 C ATOM 780 CE3 TRP A 47 -9.544 -9.377 -10.950 1.00 1.00 C ATOM 781 CZ2 TRP A 47 -8.678 -7.772 -8.722 1.00 1.00 C ATOM 782 CZ3 TRP A 47 -10.240 -8.250 -10.497 1.00 1.00 C ATOM 783 CH2 TRP A 47 -9.847 -7.457 -9.425 1.00 1.00 C ATOM 0 H TRP A 47 -7.343 -13.921 -10.102 1.00 1.00 H new ATOM 0 HA TRP A 47 -9.492 -12.204 -11.008 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -6.529 -12.408 -11.420 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -7.507 -11.380 -12.449 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -5.634 -11.182 -9.297 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -6.248 -9.100 -7.881 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -9.879 -9.971 -11.787 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -8.341 -7.180 -7.884 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -11.146 -7.977 -11.017 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -10.440 -6.602 -9.136 1.00 1.00 H new ATOM 794 N GLN A 48 -8.922 -14.852 -12.623 1.00 1.00 N ATOM 795 CA GLN A 48 -9.247 -15.638 -13.801 1.00 1.00 C ATOM 796 C GLN A 48 -10.751 -15.918 -13.823 1.00 1.00 C ATOM 797 O GLN A 48 -11.369 -15.735 -14.883 1.00 1.00 O ATOM 798 CB GLN A 48 -8.446 -16.941 -13.846 1.00 1.00 C ATOM 799 CG GLN A 48 -8.829 -17.778 -15.068 1.00 1.00 C ATOM 800 CD GLN A 48 -8.339 -19.220 -14.920 1.00 1.00 C ATOM 801 OE1 GLN A 48 -7.471 -19.684 -15.641 1.00 1.00 O ATOM 802 NE2 GLN A 48 -8.942 -19.899 -13.950 1.00 1.00 N ATOM 0 H GLN A 48 -8.630 -15.406 -11.818 1.00 1.00 H new ATOM 0 HA GLN A 48 -8.974 -15.067 -14.688 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -7.380 -16.716 -13.875 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -8.626 -17.515 -12.937 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -9.912 -17.769 -15.195 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -8.399 -17.334 -15.966 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -9.661 -19.449 -13.383 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -8.686 -20.870 -13.772 1.00 1.00 H new ATOM 811 N ASN A 49 -11.301 -16.348 -12.674 1.00 1.00 N ATOM 812 CA ASN A 49 -12.718 -16.649 -12.563 1.00 1.00 C ATOM 813 C ASN A 49 -13.478 -15.375 -12.190 1.00 1.00 C ATOM 814 O ASN A 49 -14.573 -15.161 -12.731 1.00 1.00 O ATOM 815 CB ASN A 49 -12.977 -17.690 -11.473 1.00 1.00 C ATOM 816 CG ASN A 49 -11.792 -17.780 -10.508 1.00 1.00 C ATOM 817 OD1 ASN A 49 -11.719 -17.085 -9.508 1.00 1.00 O ATOM 818 ND2 ASN A 49 -10.872 -18.672 -10.863 1.00 1.00 N ATOM 0 H ASN A 49 -10.774 -16.492 -11.813 1.00 1.00 H new ATOM 0 HA ASN A 49 -13.055 -17.041 -13.523 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -13.880 -17.428 -10.922 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -13.154 -18.664 -11.930 1.00 1.00 H new ATOM 0 HD21 ASN A 49 -10.043 -18.807 -10.285 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -10.996 -19.221 -11.714 1.00 1.00 H new ATOM 825 N SER A 50 -12.893 -14.567 -11.288 1.00 1.00 N ATOM 826 CA SER A 50 -13.511 -13.327 -10.849 1.00 1.00 C ATOM 827 C SER A 50 -13.790 -12.443 -12.065 1.00 1.00 C ATOM 828 O SER A 50 -14.970 -12.230 -12.381 1.00 1.00 O ATOM 829 CB SER A 50 -12.625 -12.585 -9.845 1.00 1.00 C ATOM 830 OG SER A 50 -12.506 -13.292 -8.614 1.00 1.00 O ATOM 0 H SER A 50 -11.990 -14.761 -10.854 1.00 1.00 H new ATOM 0 HA SER A 50 -14.448 -13.566 -10.346 1.00 1.00 H new ATOM 0 HB2 SER A 50 -11.635 -12.437 -10.275 1.00 1.00 H new ATOM 0 HB3 SER A 50 -13.041 -11.596 -9.656 1.00 1.00 H new ATOM 0 HG SER A 50 -11.716 -13.871 -8.644 1.00 1.00 H new ATOM 836 N ILE A 51 -12.718 -11.954 -12.714 1.00 1.00 N ATOM 837 CA ILE A 51 -12.848 -11.102 -13.884 1.00 1.00 C ATOM 838 C ILE A 51 -13.621 -11.851 -14.971 1.00 1.00 C ATOM 839 O ILE A 51 -14.222 -11.189 -15.829 1.00 1.00 O ATOM 840 CB ILE A 51 -11.475 -10.603 -14.338 1.00 1.00 C ATOM 841 CG1 ILE A 51 -11.250 -9.151 -13.908 1.00 1.00 C ATOM 842 CG2 ILE A 51 -11.295 -10.789 -15.846 1.00 1.00 C ATOM 843 CD1 ILE A 51 -12.194 -8.206 -14.655 1.00 1.00 C ATOM 0 H ILE A 51 -11.754 -12.142 -12.438 1.00 1.00 H new ATOM 0 HA ILE A 51 -13.423 -10.208 -13.643 1.00 1.00 H new ATOM 0 HB ILE A 51 -10.712 -11.207 -13.846 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -11.410 -9.057 -12.834 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -10.216 -8.866 -14.102 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -10.311 -10.426 -16.142 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -11.382 -11.847 -16.095 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -12.064 -10.227 -16.376 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -12.014 -7.181 -14.331 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -12.014 -8.285 -15.727 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -13.227 -8.478 -14.439 1.00 1.00 H new ATOM 855 N ARG A 52 -13.590 -13.194 -14.916 1.00 1.00 N ATOM 856 CA ARG A 52 -14.282 -14.022 -15.889 1.00 1.00 C ATOM 857 C ARG A 52 -15.765 -13.646 -15.908 1.00 1.00 C ATOM 858 O ARG A 52 -16.332 -13.541 -17.006 1.00 1.00 O ATOM 859 CB ARG A 52 -14.145 -15.510 -15.563 1.00 1.00 C ATOM 860 CG ARG A 52 -13.587 -16.284 -16.759 1.00 1.00 C ATOM 861 CD ARG A 52 -13.583 -17.790 -16.485 1.00 1.00 C ATOM 862 NE ARG A 52 -14.119 -18.519 -17.656 1.00 1.00 N ATOM 863 CZ ARG A 52 -13.897 -19.829 -17.898 1.00 1.00 C ATOM 864 NH1 ARG A 52 -13.149 -20.531 -17.037 1.00 1.00 N ATOM 865 NH2 ARG A 52 -14.418 -20.417 -18.983 1.00 1.00 N ATOM 0 H ARG A 52 -13.088 -13.720 -14.201 1.00 1.00 H new ATOM 0 HA ARG A 52 -13.830 -13.846 -16.865 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -13.487 -15.639 -14.703 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -15.117 -15.916 -15.284 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -14.187 -16.074 -17.645 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -12.573 -15.947 -16.973 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -12.569 -18.126 -16.270 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -14.185 -18.009 -15.603 1.00 1.00 H new ATOM 0 HE ARG A 52 -14.692 -18.000 -18.322 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -12.757 -20.075 -16.213 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -12.972 -21.521 -17.205 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -14.987 -19.875 -19.633 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -14.246 -21.407 -19.159 1.00 1.00 H new ATOM 879 N HIS A 53 -16.353 -13.454 -14.714 1.00 1.00 N ATOM 880 CA HIS A 53 -17.756 -13.094 -14.596 1.00 1.00 C ATOM 881 C HIS A 53 -17.944 -11.641 -15.036 1.00 1.00 C ATOM 882 O HIS A 53 -18.820 -11.387 -15.876 1.00 1.00 O ATOM 883 CB HIS A 53 -18.271 -13.355 -13.179 1.00 1.00 C ATOM 884 CG HIS A 53 -19.429 -12.475 -12.774 1.00 1.00 C ATOM 885 ND1 HIS A 53 -20.694 -12.602 -13.320 1.00 1.00 N ATOM 886 CD2 HIS A 53 -19.500 -11.455 -11.872 1.00 1.00 C ATOM 887 CE1 HIS A 53 -21.483 -11.694 -12.764 1.00 1.00 C ATOM 888 NE2 HIS A 53 -20.740 -10.983 -11.867 1.00 1.00 N ATOM 0 H HIS A 53 -15.867 -13.545 -13.822 1.00 1.00 H new ATOM 0 HA HIS A 53 -18.355 -13.723 -15.255 1.00 1.00 H new ATOM 0 HB2 HIS A 53 -18.576 -14.398 -13.101 1.00 1.00 H new ATOM 0 HB3 HIS A 53 -17.453 -13.209 -12.474 1.00 1.00 H new ATOM 0 HD2 HIS A 53 -18.684 -11.092 -11.264 1.00 1.00 H new ATOM 0 HE1 HIS A 53 -22.530 -11.543 -12.982 1.00 1.00 H new ATOM 0 HE2 HIS A 53 -21.081 -10.216 -11.288 1.00 1.00 H new ATOM 896 N ASN A 54 -17.131 -10.730 -14.470 1.00 1.00 N ATOM 897 CA ASN A 54 -17.208 -9.318 -14.802 1.00 1.00 C ATOM 898 C ASN A 54 -16.717 -9.108 -16.236 1.00 1.00 C ATOM 899 O ASN A 54 -16.837 -7.982 -16.742 1.00 1.00 O ATOM 900 CB ASN A 54 -16.323 -8.484 -13.873 1.00 1.00 C ATOM 901 CG ASN A 54 -17.010 -8.248 -12.527 1.00 1.00 C ATOM 902 OD1 ASN A 54 -17.311 -9.168 -11.784 1.00 1.00 O ATOM 903 ND2 ASN A 54 -17.242 -6.967 -12.256 1.00 1.00 N ATOM 0 H ASN A 54 -16.416 -10.960 -13.780 1.00 1.00 H new ATOM 0 HA ASN A 54 -18.245 -9.002 -14.691 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -15.373 -8.994 -13.716 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -16.097 -7.527 -14.343 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -17.698 -6.705 -11.382 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -16.964 -6.246 -12.922 1.00 1.00 H new ATOM 910 N LEU A 55 -16.184 -10.178 -16.853 1.00 1.00 N ATOM 911 CA LEU A 55 -15.681 -10.111 -18.215 1.00 1.00 C ATOM 912 C LEU A 55 -16.836 -10.341 -19.192 1.00 1.00 C ATOM 913 O LEU A 55 -16.949 -9.577 -20.162 1.00 1.00 O ATOM 914 CB LEU A 55 -14.514 -11.081 -18.403 1.00 1.00 C ATOM 915 CG LEU A 55 -14.201 -11.482 -19.847 1.00 1.00 C ATOM 916 CD1 LEU A 55 -13.354 -10.413 -20.540 1.00 1.00 C ATOM 917 CD2 LEU A 55 -13.541 -12.861 -19.902 1.00 1.00 C ATOM 0 H LEU A 55 -16.095 -11.097 -16.419 1.00 1.00 H new ATOM 0 HA LEU A 55 -15.278 -9.120 -18.425 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -13.620 -10.632 -17.970 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -14.724 -11.986 -17.833 1.00 1.00 H new ATOM 0 HG LEU A 55 -15.141 -11.553 -20.394 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -13.145 -10.722 -21.564 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -13.897 -9.468 -20.549 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -12.415 -10.287 -20.001 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -13.329 -13.122 -20.939 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -12.610 -12.842 -19.335 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -14.213 -13.603 -19.471 1.00 1.00 H new ATOM 929 N SER A 56 -17.657 -11.371 -18.921 1.00 1.00 N ATOM 930 CA SER A 56 -18.791 -11.696 -19.771 1.00 1.00 C ATOM 931 C SER A 56 -19.951 -10.752 -19.447 1.00 1.00 C ATOM 932 O SER A 56 -20.556 -10.217 -20.388 1.00 1.00 O ATOM 933 CB SER A 56 -19.226 -13.152 -19.593 1.00 1.00 C ATOM 934 OG SER A 56 -20.315 -13.492 -20.445 1.00 1.00 O ATOM 0 H SER A 56 -17.547 -11.987 -18.116 1.00 1.00 H new ATOM 0 HA SER A 56 -18.492 -11.569 -20.811 1.00 1.00 H new ATOM 0 HB2 SER A 56 -18.383 -13.810 -19.802 1.00 1.00 H new ATOM 0 HB3 SER A 56 -19.512 -13.321 -18.555 1.00 1.00 H new ATOM 0 HG SER A 56 -20.765 -14.290 -20.098 1.00 1.00 H new ATOM 940 N LEU A 57 -20.235 -10.570 -18.145 1.00 1.00 N ATOM 941 CA LEU A 57 -21.312 -9.700 -17.705 1.00 1.00 C ATOM 942 C LEU A 57 -21.074 -8.288 -18.245 1.00 1.00 C ATOM 943 O LEU A 57 -22.047 -7.529 -18.361 1.00 1.00 O ATOM 944 CB LEU A 57 -21.462 -9.759 -16.184 1.00 1.00 C ATOM 945 CG LEU A 57 -20.707 -8.689 -15.393 1.00 1.00 C ATOM 946 CD1 LEU A 57 -21.484 -7.371 -15.377 1.00 1.00 C ATOM 947 CD2 LEU A 57 -20.380 -9.179 -13.981 1.00 1.00 C ATOM 0 H LEU A 57 -19.725 -11.021 -17.386 1.00 1.00 H new ATOM 0 HA LEU A 57 -22.265 -10.040 -18.109 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -22.522 -9.683 -15.940 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -21.126 -10.739 -15.844 1.00 1.00 H new ATOM 0 HG LEU A 57 -19.758 -8.498 -15.895 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -20.926 -6.627 -14.809 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -21.623 -7.018 -16.399 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -22.457 -7.528 -14.912 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -19.843 -8.399 -13.440 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -21.305 -9.415 -13.454 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -19.759 -10.072 -14.041 1.00 1.00 H new ATOM 959 N ASN A 58 -19.805 -7.970 -18.559 1.00 1.00 N ATOM 960 CA ASN A 58 -19.446 -6.662 -19.082 1.00 1.00 C ATOM 961 C ASN A 58 -19.855 -6.576 -20.553 1.00 1.00 C ATOM 962 O ASN A 58 -20.763 -5.792 -20.868 1.00 1.00 O ATOM 963 CB ASN A 58 -17.936 -6.431 -18.996 1.00 1.00 C ATOM 964 CG ASN A 58 -17.566 -5.036 -19.503 1.00 1.00 C ATOM 965 OD1 ASN A 58 -17.128 -4.852 -20.627 1.00 1.00 O ATOM 966 ND2 ASN A 58 -17.765 -4.067 -18.615 1.00 1.00 N ATOM 0 H ASN A 58 -19.018 -8.610 -18.455 1.00 1.00 H new ATOM 0 HA ASN A 58 -19.961 -5.907 -18.487 1.00 1.00 H new ATOM 0 HB2 ASN A 58 -17.605 -6.547 -17.964 1.00 1.00 H new ATOM 0 HB3 ASN A 58 -17.415 -7.186 -19.584 1.00 1.00 H new ATOM 0 HD21 ASN A 58 -17.548 -3.100 -18.858 1.00 1.00 H new ATOM 0 HD22 ASN A 58 -18.135 -4.290 -17.691 1.00 1.00 H new ATOM 973 N ASP A 59 -19.189 -7.369 -21.411 1.00 1.00 N ATOM 974 CA ASP A 59 -19.481 -7.381 -22.834 1.00 1.00 C ATOM 975 C ASP A 59 -20.701 -8.268 -23.093 1.00 1.00 C ATOM 976 O ASP A 59 -21.683 -7.770 -23.661 1.00 1.00 O ATOM 977 CB ASP A 59 -18.306 -7.949 -23.633 1.00 1.00 C ATOM 978 CG ASP A 59 -17.916 -7.140 -24.872 1.00 1.00 C ATOM 979 OD1 ASP A 59 -18.908 -6.701 -25.571 1.00 1.00 O ATOM 980 OD2 ASP A 59 -16.726 -6.940 -25.155 1.00 1.00 O ATOM 0 H ASP A 59 -18.445 -8.008 -21.131 1.00 1.00 H new ATOM 0 HA ASP A 59 -19.668 -6.354 -23.148 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -17.439 -8.019 -22.976 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -18.554 -8.964 -23.943 1.00 1.00 H new ATOM 985 N CYS A 60 -20.616 -9.544 -22.676 1.00 1.00 N ATOM 986 CA CYS A 60 -21.705 -10.489 -22.861 1.00 1.00 C ATOM 987 C CYS A 60 -21.409 -11.370 -24.076 1.00 1.00 C ATOM 988 O CYS A 60 -22.363 -11.887 -24.676 1.00 1.00 O ATOM 989 CB CYS A 60 -23.046 -9.765 -22.994 1.00 1.00 C ATOM 990 SG CYS A 60 -23.551 -9.402 -24.701 1.00 1.00 S ATOM 0 H CYS A 60 -19.798 -9.934 -22.209 1.00 1.00 H new ATOM 0 HA CYS A 60 -21.782 -11.128 -21.981 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -23.819 -10.372 -22.523 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -22.994 -8.829 -22.439 1.00 1.00 H new ATOM 0 HG CYS A 60 -22.892 -8.371 -25.139 1.00 1.00 H new ATOM 996 N PHE A 61 -20.115 -11.521 -24.410 1.00 1.00 N ATOM 997 CA PHE A 61 -19.701 -12.332 -25.542 1.00 1.00 C ATOM 998 C PHE A 61 -19.990 -13.804 -25.243 1.00 1.00 C ATOM 999 O PHE A 61 -20.471 -14.098 -24.138 1.00 1.00 O ATOM 1000 CB PHE A 61 -18.198 -12.112 -25.803 1.00 1.00 C ATOM 1001 CG PHE A 61 -17.429 -11.527 -24.626 1.00 1.00 C ATOM 1002 CD1 PHE A 61 -17.420 -12.191 -23.377 1.00 1.00 C ATOM 1003 CD2 PHE A 61 -16.725 -10.310 -24.774 1.00 1.00 C ATOM 1004 CE1 PHE A 61 -16.709 -11.644 -22.288 1.00 1.00 C ATOM 1005 CE2 PHE A 61 -16.014 -9.764 -23.684 1.00 1.00 C ATOM 1006 CZ PHE A 61 -16.006 -10.430 -22.441 1.00 1.00 C ATOM 0 H PHE A 61 -19.344 -11.086 -23.903 1.00 1.00 H new ATOM 0 HA PHE A 61 -20.256 -12.042 -26.434 1.00 1.00 H new ATOM 0 HB2 PHE A 61 -17.747 -13.066 -26.077 1.00 1.00 H new ATOM 0 HB3 PHE A 61 -18.085 -11.448 -26.660 1.00 1.00 H new ATOM 0 HD1 PHE A 61 -17.959 -13.119 -23.257 1.00 1.00 H new ATOM 0 HD2 PHE A 61 -16.731 -9.797 -25.724 1.00 1.00 H new ATOM 0 HE1 PHE A 61 -16.703 -12.155 -21.336 1.00 1.00 H new ATOM 0 HE2 PHE A 61 -15.476 -8.835 -23.802 1.00 1.00 H new ATOM 0 HZ PHE A 61 -15.462 -10.011 -21.607 1.00 1.00 H new ATOM 1016 N VAL A 62 -19.697 -14.686 -26.215 1.00 1.00 N ATOM 1017 CA VAL A 62 -19.924 -16.112 -26.056 1.00 1.00 C ATOM 1018 C VAL A 62 -18.599 -16.801 -25.721 1.00 1.00 C ATOM 1019 O VAL A 62 -17.581 -16.450 -26.335 1.00 1.00 O ATOM 1020 CB VAL A 62 -20.592 -16.679 -27.310 1.00 1.00 C ATOM 1021 CG1 VAL A 62 -21.793 -15.827 -27.724 1.00 1.00 C ATOM 1022 CG2 VAL A 62 -19.587 -16.805 -28.457 1.00 1.00 C ATOM 0 H VAL A 62 -19.301 -14.423 -27.118 1.00 1.00 H new ATOM 0 HA VAL A 62 -20.607 -16.300 -25.227 1.00 1.00 H new ATOM 0 HB VAL A 62 -20.957 -17.679 -27.073 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -22.250 -16.252 -28.618 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -22.524 -15.811 -26.916 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -21.462 -14.810 -27.934 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -20.087 -17.210 -29.336 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -19.179 -15.822 -28.693 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -18.778 -17.472 -28.160 1.00 1.00 H new ATOM 1032 N LYS A 63 -18.638 -17.750 -24.769 1.00 1.00 N ATOM 1033 CA LYS A 63 -17.449 -18.478 -24.359 1.00 1.00 C ATOM 1034 C LYS A 63 -17.639 -19.967 -24.659 1.00 1.00 C ATOM 1035 O LYS A 63 -18.636 -20.539 -24.197 1.00 1.00 O ATOM 1036 CB LYS A 63 -17.119 -18.183 -22.895 1.00 1.00 C ATOM 1037 CG LYS A 63 -18.119 -18.865 -21.959 1.00 1.00 C ATOM 1038 CD LYS A 63 -18.521 -17.934 -20.813 1.00 1.00 C ATOM 1039 CE LYS A 63 -19.612 -16.958 -21.257 1.00 1.00 C ATOM 1040 NZ LYS A 63 -20.937 -17.439 -20.834 1.00 1.00 N ATOM 0 H LYS A 63 -19.488 -18.023 -24.275 1.00 1.00 H new ATOM 0 HA LYS A 63 -16.582 -18.145 -24.930 1.00 1.00 H new ATOM 0 HB2 LYS A 63 -16.110 -18.529 -22.669 1.00 1.00 H new ATOM 0 HB3 LYS A 63 -17.133 -17.106 -22.725 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -19.005 -19.160 -22.521 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -17.680 -19.777 -21.554 1.00 1.00 H new ATOM 0 HD2 LYS A 63 -18.877 -18.524 -19.968 1.00 1.00 H new ATOM 0 HD3 LYS A 63 -17.649 -17.378 -20.468 1.00 1.00 H new ATOM 0 HE2 LYS A 63 -19.423 -15.973 -20.830 1.00 1.00 H new ATOM 0 HE3 LYS A 63 -19.588 -16.845 -22.341 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 -21.666 -16.765 -21.143 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 -21.122 -18.369 -21.262 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 -20.961 -17.524 -19.798 1.00 1.00 H new ATOM 1054 N ILE A 64 -16.694 -20.554 -25.415 1.00 1.00 N ATOM 1055 CA ILE A 64 -16.757 -21.961 -25.771 1.00 1.00 C ATOM 1056 C ILE A 64 -16.313 -22.806 -24.575 1.00 1.00 C ATOM 1057 O ILE A 64 -15.152 -22.676 -24.160 1.00 1.00 O ATOM 1058 CB ILE A 64 -15.953 -22.228 -27.044 1.00 1.00 C ATOM 1059 CG1 ILE A 64 -14.495 -21.793 -26.874 1.00 1.00 C ATOM 1060 CG2 ILE A 64 -16.610 -21.567 -28.257 1.00 1.00 C ATOM 1061 CD1 ILE A 64 -13.598 -22.462 -27.918 1.00 1.00 C ATOM 0 H ILE A 64 -15.880 -20.064 -25.786 1.00 1.00 H new ATOM 0 HA ILE A 64 -17.782 -22.249 -26.003 1.00 1.00 H new ATOM 0 HB ILE A 64 -15.949 -23.303 -27.226 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -14.422 -20.709 -26.967 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -14.149 -22.051 -25.873 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -16.018 -21.773 -29.149 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -17.615 -21.967 -28.389 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -16.666 -20.490 -28.099 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -12.568 -22.136 -27.775 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -13.655 -23.545 -27.806 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -13.932 -22.182 -28.917 1.00 1.00 H new ATOM 1073 N PRO A 65 -17.230 -23.640 -24.053 1.00 1.00 N ATOM 1074 CA PRO A 65 -16.971 -24.510 -22.919 1.00 1.00 C ATOM 1075 C PRO A 65 -16.108 -25.705 -23.330 1.00 1.00 C ATOM 1076 O PRO A 65 -16.585 -26.844 -23.214 1.00 1.00 O ATOM 1077 CB PRO A 65 -18.345 -24.915 -22.411 1.00 1.00 C ATOM 1078 CG PRO A 65 -19.309 -24.638 -23.553 1.00 1.00 C ATOM 1079 CD PRO A 65 -18.590 -23.766 -24.569 1.00 1.00 C ATOM 0 HA PRO A 65 -16.401 -24.017 -22.132 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -18.363 -25.968 -22.131 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -18.617 -24.344 -21.523 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -19.634 -25.571 -24.013 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -20.203 -24.136 -23.184 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -18.597 -24.223 -25.559 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -19.069 -22.792 -24.664 1.00 1.00 H new ATOM 1087 N ARG A 66 -14.877 -25.428 -23.794 1.00 1.00 N ATOM 1088 CA ARG A 66 -13.960 -26.473 -24.217 1.00 1.00 C ATOM 1089 C ARG A 66 -14.538 -27.188 -25.440 1.00 1.00 C ATOM 1090 O ARG A 66 -15.032 -28.315 -25.286 1.00 1.00 O ATOM 1091 CB ARG A 66 -13.719 -27.495 -23.104 1.00 1.00 C ATOM 1092 CG ARG A 66 -13.009 -28.738 -23.646 1.00 1.00 C ATOM 1093 CD ARG A 66 -11.769 -29.068 -22.813 1.00 1.00 C ATOM 1094 NE ARG A 66 -12.089 -30.122 -21.825 1.00 1.00 N ATOM 1095 CZ ARG A 66 -12.322 -31.413 -22.145 1.00 1.00 C ATOM 1096 NH1 ARG A 66 -12.266 -31.784 -23.431 1.00 1.00 N ATOM 1097 NH2 ARG A 66 -12.606 -32.310 -21.191 1.00 1.00 N ATOM 0 H ARG A 66 -14.504 -24.483 -23.881 1.00 1.00 H new ATOM 0 HA ARG A 66 -13.006 -26.007 -24.463 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -13.118 -27.044 -22.315 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -14.670 -27.781 -22.656 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -13.694 -29.586 -23.636 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -12.721 -28.573 -24.684 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -10.961 -29.402 -23.464 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -11.416 -28.173 -22.301 1.00 1.00 H new ATOM 0 HE ARG A 66 -12.137 -29.857 -20.841 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -12.050 -31.095 -24.152 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -12.439 -32.755 -23.690 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -12.648 -32.020 -20.214 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -12.781 -33.283 -21.442 1.00 1.00 H new ATOM 1111 N GLU A 67 -14.467 -26.531 -26.612 1.00 1.00 N ATOM 1112 CA GLU A 67 -14.979 -27.101 -27.846 1.00 1.00 C ATOM 1113 C GLU A 67 -14.005 -28.164 -28.355 1.00 1.00 C ATOM 1114 O GLU A 67 -12.793 -28.001 -28.150 1.00 1.00 O ATOM 1115 CB GLU A 67 -15.217 -26.023 -28.906 1.00 1.00 C ATOM 1116 CG GLU A 67 -16.712 -25.833 -29.169 1.00 1.00 C ATOM 1117 CD GLU A 67 -17.421 -25.277 -27.933 1.00 1.00 C ATOM 1118 OE1 GLU A 67 -17.529 -26.103 -26.948 1.00 1.00 O ATOM 1119 OE2 GLU A 67 -17.842 -24.111 -27.931 1.00 1.00 O ATOM 0 H GLU A 67 -14.057 -25.603 -26.718 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.944 -27.566 -27.642 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -14.780 -25.081 -28.576 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -14.714 -26.301 -29.832 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -16.853 -25.154 -30.010 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -17.159 -26.786 -29.451 1.00 1.00 H new ATOM 1204 N GLY A 74 -6.254 -21.591 -25.381 1.00 1.00 N ATOM 1205 CA GLY A 74 -7.354 -21.706 -24.438 1.00 1.00 C ATOM 1206 C GLY A 74 -8.677 -21.744 -25.207 1.00 1.00 C ATOM 1207 O GLY A 74 -8.855 -22.655 -26.028 1.00 1.00 O ATOM 0 HA2 GLY A 74 -7.242 -22.610 -23.839 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -7.346 -20.863 -23.747 1.00 1.00 H new ATOM 1211 N ASN A 75 -9.562 -20.770 -24.930 1.00 1.00 N ATOM 1212 CA ASN A 75 -10.854 -20.694 -25.591 1.00 1.00 C ATOM 1213 C ASN A 75 -10.931 -19.399 -26.403 1.00 1.00 C ATOM 1214 O ASN A 75 -9.901 -18.722 -26.532 1.00 1.00 O ATOM 1215 CB ASN A 75 -11.995 -20.680 -24.571 1.00 1.00 C ATOM 1216 CG ASN A 75 -11.865 -21.846 -23.588 1.00 1.00 C ATOM 1217 OD1 ASN A 75 -12.081 -22.999 -23.921 1.00 1.00 O ATOM 1218 ND2 ASN A 75 -11.501 -21.481 -22.362 1.00 1.00 N ATOM 0 H ASN A 75 -9.395 -20.028 -24.250 1.00 1.00 H new ATOM 0 HA ASN A 75 -10.955 -21.568 -26.234 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -11.988 -19.737 -24.025 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -12.952 -20.741 -25.089 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -11.387 -22.185 -21.633 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -11.336 -20.497 -22.151 1.00 1.00 H new ATOM 1225 N TYR A 76 -12.130 -19.087 -26.926 1.00 1.00 N ATOM 1226 CA TYR A 76 -12.268 -17.872 -27.712 1.00 1.00 C ATOM 1227 C TYR A 76 -13.652 -17.267 -27.467 1.00 1.00 C ATOM 1228 O TYR A 76 -14.646 -17.943 -27.772 1.00 1.00 O ATOM 1229 CB TYR A 76 -12.031 -18.176 -29.202 1.00 1.00 C ATOM 1230 CG TYR A 76 -10.870 -19.123 -29.476 1.00 1.00 C ATOM 1231 CD1 TYR A 76 -9.569 -18.793 -29.032 1.00 1.00 C ATOM 1232 CD2 TYR A 76 -11.085 -20.336 -30.169 1.00 1.00 C ATOM 1233 CE1 TYR A 76 -8.491 -19.668 -29.281 1.00 1.00 C ATOM 1234 CE2 TYR A 76 -10.006 -21.212 -30.418 1.00 1.00 C ATOM 1235 CZ TYR A 76 -8.708 -20.878 -29.975 1.00 1.00 C ATOM 1236 OH TYR A 76 -7.661 -21.722 -30.215 1.00 1.00 O ATOM 0 H TYR A 76 -12.980 -19.641 -26.820 1.00 1.00 H new ATOM 0 HA TYR A 76 -11.518 -17.142 -27.406 1.00 1.00 H new ATOM 0 HB2 TYR A 76 -12.941 -18.606 -29.621 1.00 1.00 H new ATOM 0 HB3 TYR A 76 -11.850 -17.238 -29.727 1.00 1.00 H new ATOM 0 HD1 TYR A 76 -9.400 -17.868 -28.501 1.00 1.00 H new ATOM 0 HD2 TYR A 76 -12.077 -20.593 -30.509 1.00 1.00 H new ATOM 0 HE1 TYR A 76 -7.499 -19.412 -28.940 1.00 1.00 H new ATOM 0 HE2 TYR A 76 -10.174 -22.138 -30.948 1.00 1.00 H new ATOM 0 HH TYR A 76 -7.981 -22.510 -30.702 1.00 1.00 H new ATOM 1246 N TRP A 77 -13.693 -16.036 -26.927 1.00 1.00 N ATOM 1247 CA TRP A 77 -14.948 -15.363 -26.640 1.00 1.00 C ATOM 1248 C TRP A 77 -15.198 -14.287 -27.699 1.00 1.00 C ATOM 1249 O TRP A 77 -14.258 -13.544 -28.018 1.00 1.00 O ATOM 1250 CB TRP A 77 -14.938 -14.807 -25.215 1.00 1.00 C ATOM 1251 CG TRP A 77 -14.636 -15.854 -24.141 1.00 1.00 C ATOM 1252 CD1 TRP A 77 -13.974 -17.011 -24.279 1.00 1.00 C ATOM 1253 CD2 TRP A 77 -15.015 -15.793 -22.750 1.00 1.00 C ATOM 1254 NE1 TRP A 77 -13.898 -17.697 -23.084 1.00 1.00 N ATOM 1255 CE2 TRP A 77 -14.551 -16.933 -22.125 1.00 1.00 C ATOM 1256 CE3 TRP A 77 -15.725 -14.807 -22.042 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 -14.747 -17.194 -20.763 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 -15.913 -15.084 -20.683 1.00 1.00 C ATOM 1259 CH2 TRP A 77 -15.453 -16.226 -20.039 1.00 1.00 C ATOM 0 H TRP A 77 -12.863 -15.495 -26.684 1.00 1.00 H new ATOM 0 HA TRP A 77 -15.776 -16.070 -26.689 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -14.195 -14.012 -25.151 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -15.908 -14.355 -25.005 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -13.553 -17.363 -25.209 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -13.446 -18.599 -22.933 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -16.096 -13.907 -22.510 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -14.374 -18.094 -20.296 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -16.454 -14.359 -20.093 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -15.639 -16.366 -18.984 1.00 1.00 H new ATOM 1270 N THR A 78 -16.439 -14.225 -28.214 1.00 1.00 N ATOM 1271 CA THR A 78 -16.806 -13.249 -29.226 1.00 1.00 C ATOM 1272 C THR A 78 -18.009 -12.441 -28.737 1.00 1.00 C ATOM 1273 O THR A 78 -18.851 -13.008 -28.025 1.00 1.00 O ATOM 1274 CB THR A 78 -17.062 -13.984 -30.543 1.00 1.00 C ATOM 1275 OG1 THR A 78 -17.802 -15.139 -30.158 1.00 1.00 O ATOM 1276 CG2 THR A 78 -15.780 -14.551 -31.157 1.00 1.00 C ATOM 0 H THR A 78 -17.199 -14.847 -27.937 1.00 1.00 H new ATOM 0 HA THR A 78 -16.002 -12.534 -29.404 1.00 1.00 H new ATOM 0 HB THR A 78 -17.534 -13.303 -31.252 1.00 1.00 H new ATOM 0 HG1 THR A 78 -18.675 -15.132 -30.604 1.00 1.00 H new ATOM 0 HG21 THR A 78 -16.018 -15.062 -32.090 1.00 1.00 H new ATOM 0 HG22 THR A 78 -15.082 -13.738 -31.357 1.00 1.00 H new ATOM 0 HG23 THR A 78 -15.325 -15.257 -30.462 1.00 1.00 H new ATOM 1284 N LEU A 79 -18.066 -11.153 -29.121 1.00 1.00 N ATOM 1285 CA LEU A 79 -19.156 -10.278 -28.725 1.00 1.00 C ATOM 1286 C LEU A 79 -20.459 -10.778 -29.352 1.00 1.00 C ATOM 1287 O LEU A 79 -20.429 -11.198 -30.518 1.00 1.00 O ATOM 1288 CB LEU A 79 -18.828 -8.824 -29.066 1.00 1.00 C ATOM 1289 CG LEU A 79 -18.088 -8.032 -27.986 1.00 1.00 C ATOM 1290 CD1 LEU A 79 -16.608 -8.414 -27.942 1.00 1.00 C ATOM 1291 CD2 LEU A 79 -18.286 -6.527 -28.177 1.00 1.00 C ATOM 0 H LEU A 79 -17.362 -10.705 -29.707 1.00 1.00 H new ATOM 0 HA LEU A 79 -19.291 -10.304 -27.644 1.00 1.00 H new ATOM 0 HB2 LEU A 79 -18.226 -8.812 -29.974 1.00 1.00 H new ATOM 0 HB3 LEU A 79 -19.760 -8.306 -29.294 1.00 1.00 H new ATOM 0 HG LEU A 79 -18.516 -8.293 -27.018 1.00 1.00 H new ATOM 0 HD11 LEU A 79 -16.106 -7.836 -27.166 1.00 1.00 H new ATOM 0 HD12 LEU A 79 -16.513 -9.477 -27.722 1.00 1.00 H new ATOM 0 HD13 LEU A 79 -16.148 -8.201 -28.907 1.00 1.00 H new ATOM 0 HD21 LEU A 79 -17.750 -5.988 -27.396 1.00 1.00 H new ATOM 0 HD22 LEU A 79 -17.901 -6.230 -29.153 1.00 1.00 H new ATOM 0 HD23 LEU A 79 -19.348 -6.289 -28.118 1.00 1.00 H new ATOM 1303 N ASP A 80 -21.559 -10.724 -28.580 1.00 1.00 N ATOM 1304 CA ASP A 80 -22.858 -11.167 -29.057 1.00 1.00 C ATOM 1305 C ASP A 80 -23.523 -10.034 -29.840 1.00 1.00 C ATOM 1306 O ASP A 80 -23.199 -8.866 -29.579 1.00 1.00 O ATOM 1307 CB ASP A 80 -23.776 -11.537 -27.890 1.00 1.00 C ATOM 1308 CG ASP A 80 -24.285 -12.980 -27.901 1.00 1.00 C ATOM 1309 OD1 ASP A 80 -23.446 -13.858 -27.465 1.00 1.00 O ATOM 1310 OD2 ASP A 80 -25.426 -13.252 -28.304 1.00 1.00 O ATOM 0 H ASP A 80 -21.562 -10.375 -27.622 1.00 1.00 H new ATOM 0 HA ASP A 80 -22.705 -12.043 -29.688 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -23.240 -11.364 -26.957 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -24.634 -10.865 -27.895 1.00 1.00 H new