USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 595 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 84 CYS SG : rot -136:sc= 1.97 USER MOD Set 1.2: A 87 CYS SG : rot 138:sc= 0.87 USER MOD Set 1.3: A 105 CYS SG : rot 162:sc= -0.745! USER MOD Set 1.4: A 108 CYS SG : rot 139:sc= -1.73! USER MOD Set 2.1: A 80 THR OG1 : rot -50:sc= 0.436 USER MOD Set 2.2: A 83 THR OG1 : rot 110:sc= 0.547 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 150:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -152:sc= 0.596 (180deg=0.198) USER MOD Single : A 20 GLN : amide:sc= 0.556 K(o=0.56,f=-2.5!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.202 X(o=-0.2,f=0.025) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -1.87 F(o=-3.3!,f=-1.9) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00843) USER MOD Single : A 89 LYS NZ :NH3+ -175:sc= 0.242 (180deg=0.216) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 178:sc= 0.377 (180deg=0.375) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -106:sc= 0.995 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ASN A 8 10.805 9.122 -11.395 1.00 0.00 N ATOM 97 CA ASN A 8 11.823 9.526 -10.397 1.00 0.00 C ATOM 98 C ASN A 8 11.357 10.729 -9.572 1.00 0.00 C ATOM 99 O ASN A 8 11.396 11.880 -10.035 1.00 0.00 O ATOM 100 CB ASN A 8 13.188 9.831 -11.080 1.00 0.00 C ATOM 101 CG ASN A 8 13.755 8.618 -11.824 1.00 0.00 C ATOM 102 OD1 ASN A 8 13.510 8.430 -13.014 1.00 0.00 O ATOM 103 ND2 ASN A 8 14.491 7.772 -11.122 1.00 0.00 N ATOM 0 HA ASN A 8 11.959 8.685 -9.717 1.00 0.00 H new ATOM 0 HB2 ASN A 8 13.064 10.657 -11.780 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.903 10.157 -10.325 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.872 6.937 -11.567 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.677 7.955 -10.136 1.00 0.00 H new ATOM 110 N VAL A 9 10.900 10.414 -8.352 1.00 0.00 N ATOM 111 CA VAL A 9 10.276 11.360 -7.426 1.00 0.00 C ATOM 112 C VAL A 9 11.193 12.559 -7.120 1.00 0.00 C ATOM 113 O VAL A 9 10.702 13.632 -6.881 1.00 0.00 O ATOM 114 CB VAL A 9 9.864 10.639 -6.086 1.00 0.00 C ATOM 115 CG1 VAL A 9 9.184 11.604 -5.097 1.00 0.00 C ATOM 116 CG2 VAL A 9 8.954 9.413 -6.350 1.00 0.00 C ATOM 0 H VAL A 9 10.957 9.468 -7.975 1.00 0.00 H new ATOM 0 HA VAL A 9 9.381 11.743 -7.916 1.00 0.00 H new ATOM 0 HB VAL A 9 10.789 10.286 -5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.917 11.065 -4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.870 12.415 -4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.283 12.016 -5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.692 8.943 -5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.046 9.737 -6.858 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.483 8.695 -6.976 1.00 0.00 H new ATOM 126 N GLU A 10 12.520 12.348 -7.197 1.00 0.00 N ATOM 127 CA GLU A 10 13.559 13.343 -6.824 1.00 0.00 C ATOM 128 C GLU A 10 13.480 14.589 -7.721 1.00 0.00 C ATOM 129 O GLU A 10 13.569 15.732 -7.240 1.00 0.00 O ATOM 130 CB GLU A 10 14.977 12.706 -6.940 1.00 0.00 C ATOM 131 CG GLU A 10 15.266 11.534 -5.973 1.00 0.00 C ATOM 132 CD GLU A 10 14.390 10.290 -6.218 1.00 0.00 C ATOM 133 OE1 GLU A 10 14.473 9.700 -7.314 1.00 0.00 O ATOM 134 OE2 GLU A 10 13.594 9.913 -5.332 1.00 0.00 O ATOM 0 H GLU A 10 12.914 11.466 -7.526 1.00 0.00 H new ATOM 0 HA GLU A 10 13.378 13.647 -5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.114 12.352 -7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.720 13.485 -6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.315 11.251 -6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.116 11.876 -4.949 1.00 0.00 H new ATOM 141 N SER A 11 13.309 14.331 -9.029 1.00 0.00 N ATOM 142 CA SER A 11 13.122 15.373 -10.046 1.00 0.00 C ATOM 143 C SER A 11 11.845 16.181 -9.742 1.00 0.00 C ATOM 144 O SER A 11 11.847 17.422 -9.762 1.00 0.00 O ATOM 145 CB SER A 11 13.029 14.717 -11.449 1.00 0.00 C ATOM 146 OG SER A 11 14.167 13.904 -11.713 1.00 0.00 O ATOM 0 H SER A 11 13.297 13.385 -9.410 1.00 0.00 H new ATOM 0 HA SER A 11 13.973 16.054 -10.030 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.124 14.112 -11.511 1.00 0.00 H new ATOM 0 HB3 SER A 11 12.948 15.492 -12.211 1.00 0.00 H new ATOM 0 HG SER A 11 14.082 13.501 -12.602 1.00 0.00 H new ATOM 152 N TYR A 12 10.775 15.441 -9.410 1.00 0.00 N ATOM 153 CA TYR A 12 9.455 16.015 -9.120 1.00 0.00 C ATOM 154 C TYR A 12 9.442 16.729 -7.755 1.00 0.00 C ATOM 155 O TYR A 12 8.754 17.717 -7.591 1.00 0.00 O ATOM 156 CB TYR A 12 8.370 14.912 -9.199 1.00 0.00 C ATOM 157 CG TYR A 12 8.325 14.195 -10.566 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.248 14.933 -11.755 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.376 12.800 -10.673 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.220 14.309 -12.985 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.347 12.179 -11.909 1.00 0.00 C ATOM 162 CZ TYR A 12 8.269 12.935 -13.058 1.00 0.00 C ATOM 163 OH TYR A 12 8.239 12.313 -14.288 1.00 0.00 O ATOM 0 H TYR A 12 10.803 14.424 -9.335 1.00 0.00 H new ATOM 0 HA TYR A 12 9.230 16.770 -9.873 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.553 14.176 -8.416 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.395 15.356 -8.997 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.210 16.011 -11.707 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.439 12.200 -9.777 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.160 14.897 -13.889 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.386 11.102 -11.973 1.00 0.00 H new ATOM 0 HH TYR A 12 8.736 11.470 -14.240 1.00 0.00 H new ATOM 173 N GLU A 13 10.272 16.245 -6.823 1.00 0.00 N ATOM 174 CA GLU A 13 10.336 16.706 -5.433 1.00 0.00 C ATOM 175 C GLU A 13 10.824 18.159 -5.411 1.00 0.00 C ATOM 176 O GLU A 13 10.159 19.049 -4.857 1.00 0.00 O ATOM 177 CB GLU A 13 11.307 15.754 -4.646 1.00 0.00 C ATOM 178 CG GLU A 13 10.977 15.510 -3.166 1.00 0.00 C ATOM 179 CD GLU A 13 11.137 16.734 -2.253 1.00 0.00 C ATOM 180 OE1 GLU A 13 12.239 17.324 -2.238 1.00 0.00 O ATOM 181 OE2 GLU A 13 10.172 17.104 -1.542 1.00 0.00 O ATOM 0 H GLU A 13 10.938 15.499 -7.023 1.00 0.00 H new ATOM 0 HA GLU A 13 9.356 16.676 -4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.326 14.790 -5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.314 16.167 -4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.950 15.153 -3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.619 14.712 -2.793 1.00 0.00 H new ATOM 188 N LYS A 14 11.976 18.379 -6.076 1.00 0.00 N ATOM 189 CA LYS A 14 12.596 19.704 -6.146 1.00 0.00 C ATOM 190 C LYS A 14 11.738 20.691 -6.970 1.00 0.00 C ATOM 191 O LYS A 14 11.560 21.826 -6.547 1.00 0.00 O ATOM 192 CB LYS A 14 14.046 19.641 -6.711 1.00 0.00 C ATOM 193 CG LYS A 14 14.171 19.266 -8.208 1.00 0.00 C ATOM 194 CD LYS A 14 15.597 19.463 -8.768 1.00 0.00 C ATOM 195 CE LYS A 14 16.126 20.905 -8.594 1.00 0.00 C ATOM 196 NZ LYS A 14 15.227 21.935 -9.182 1.00 0.00 N ATOM 0 H LYS A 14 12.491 17.651 -6.571 1.00 0.00 H new ATOM 0 HA LYS A 14 12.653 20.074 -5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.517 20.612 -6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.612 18.916 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.876 18.225 -8.341 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.474 19.871 -8.787 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.275 18.771 -8.268 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.603 19.206 -9.827 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.258 21.111 -7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.109 20.983 -9.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.788 22.763 -9.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.744 21.540 -10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.520 22.222 -8.476 1.00 0.00 H new ATOM 210 N ILE A 15 11.189 20.240 -8.140 1.00 0.00 N ATOM 211 CA ILE A 15 10.453 21.139 -9.072 1.00 0.00 C ATOM 212 C ILE A 15 9.109 21.586 -8.459 1.00 0.00 C ATOM 213 O ILE A 15 8.617 22.684 -8.745 1.00 0.00 O ATOM 214 CB ILE A 15 10.243 20.494 -10.506 1.00 0.00 C ATOM 215 CG1 ILE A 15 9.850 21.581 -11.570 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.200 19.351 -10.483 1.00 0.00 C ATOM 217 CD1 ILE A 15 9.718 21.061 -12.998 1.00 0.00 C ATOM 0 H ILE A 15 11.244 19.271 -8.453 1.00 0.00 H new ATOM 0 HA ILE A 15 11.076 22.021 -9.218 1.00 0.00 H new ATOM 0 HB ILE A 15 11.199 20.059 -10.798 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.903 22.033 -11.274 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.600 22.372 -11.554 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.089 18.939 -11.486 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.535 18.567 -9.804 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.241 19.741 -10.143 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.444 21.882 -13.660 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.669 20.636 -13.320 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.946 20.292 -13.035 1.00 0.00 H new ATOM 229 N LEU A 16 8.536 20.717 -7.602 1.00 0.00 N ATOM 230 CA LEU A 16 7.353 21.050 -6.796 1.00 0.00 C ATOM 231 C LEU A 16 7.696 22.173 -5.814 1.00 0.00 C ATOM 232 O LEU A 16 6.950 23.142 -5.709 1.00 0.00 O ATOM 233 CB LEU A 16 6.818 19.797 -6.037 1.00 0.00 C ATOM 234 CG LEU A 16 5.989 18.780 -6.888 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.679 17.489 -6.090 1.00 0.00 C ATOM 236 CD2 LEU A 16 4.700 19.432 -7.419 1.00 0.00 C ATOM 0 H LEU A 16 8.882 19.769 -7.452 1.00 0.00 H new ATOM 0 HA LEU A 16 6.562 21.392 -7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.668 19.269 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.197 20.137 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 16 6.598 18.491 -7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.102 16.806 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.613 17.010 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.104 17.741 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.140 18.705 -8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.089 19.767 -6.580 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.956 20.286 -8.045 1.00 0.00 H new ATOM 248 N ARG A 17 8.846 22.041 -5.119 1.00 0.00 N ATOM 249 CA ARG A 17 9.315 23.061 -4.162 1.00 0.00 C ATOM 250 C ARG A 17 9.632 24.391 -4.873 1.00 0.00 C ATOM 251 O ARG A 17 9.339 25.444 -4.334 1.00 0.00 O ATOM 252 CB ARG A 17 10.559 22.583 -3.376 1.00 0.00 C ATOM 253 CG ARG A 17 10.324 21.346 -2.484 1.00 0.00 C ATOM 254 CD ARG A 17 11.539 21.026 -1.599 1.00 0.00 C ATOM 255 NE ARG A 17 11.338 19.800 -0.817 1.00 0.00 N ATOM 256 CZ ARG A 17 11.863 19.540 0.391 1.00 0.00 C ATOM 257 NH1 ARG A 17 12.548 20.463 1.053 1.00 0.00 N ATOM 258 NH2 ARG A 17 11.689 18.342 0.927 1.00 0.00 N ATOM 0 H ARG A 17 9.466 21.236 -5.204 1.00 0.00 H new ATOM 0 HA ARG A 17 8.502 23.222 -3.454 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.355 22.356 -4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.913 23.402 -2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.452 21.517 -1.852 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.098 20.485 -3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.425 20.917 -2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.726 21.861 -0.924 1.00 0.00 H new ATOM 0 HE ARG A 17 10.745 19.080 -1.229 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.683 21.388 0.645 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.940 20.248 1.970 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.161 17.629 0.423 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.083 18.132 1.844 1.00 0.00 H new ATOM 272 N ASP A 18 10.222 24.322 -6.085 1.00 0.00 N ATOM 273 CA ASP A 18 10.542 25.519 -6.899 1.00 0.00 C ATOM 274 C ASP A 18 9.258 26.309 -7.182 1.00 0.00 C ATOM 275 O ASP A 18 9.180 27.506 -6.889 1.00 0.00 O ATOM 276 CB ASP A 18 11.235 25.131 -8.243 1.00 0.00 C ATOM 277 CG ASP A 18 12.708 24.687 -8.088 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.557 25.530 -7.717 1.00 0.00 O ATOM 279 OD2 ASP A 18 13.029 23.512 -8.372 1.00 0.00 O ATOM 0 H ASP A 18 10.489 23.442 -6.527 1.00 0.00 H new ATOM 0 HA ASP A 18 11.238 26.137 -6.332 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.671 24.324 -8.711 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.193 25.984 -8.921 1.00 0.00 H new ATOM 284 N ARG A 19 8.241 25.584 -7.693 1.00 0.00 N ATOM 285 CA ARG A 19 6.923 26.148 -8.030 1.00 0.00 C ATOM 286 C ARG A 19 6.197 26.659 -6.770 1.00 0.00 C ATOM 287 O ARG A 19 5.602 27.722 -6.799 1.00 0.00 O ATOM 288 CB ARG A 19 6.056 25.108 -8.827 1.00 0.00 C ATOM 289 CG ARG A 19 6.203 25.178 -10.368 1.00 0.00 C ATOM 290 CD ARG A 19 7.651 25.040 -10.867 1.00 0.00 C ATOM 291 NE ARG A 19 7.726 25.236 -12.327 1.00 0.00 N ATOM 292 CZ ARG A 19 8.185 26.340 -12.945 1.00 0.00 C ATOM 293 NH1 ARG A 19 8.680 27.355 -12.256 1.00 0.00 N ATOM 294 NH2 ARG A 19 8.139 26.424 -14.267 1.00 0.00 N ATOM 0 H ARG A 19 8.315 24.585 -7.883 1.00 0.00 H new ATOM 0 HA ARG A 19 7.077 27.009 -8.680 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.324 24.105 -8.497 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.008 25.258 -8.570 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.599 24.389 -10.816 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.798 26.128 -10.718 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.284 25.772 -10.365 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.037 24.054 -10.608 1.00 0.00 H new ATOM 0 HE ARG A 19 7.403 24.470 -12.918 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.719 27.310 -11.238 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.023 28.183 -12.743 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.756 25.653 -14.814 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.486 27.260 -14.737 1.00 0.00 H new ATOM 308 N GLN A 20 6.294 25.915 -5.664 1.00 0.00 N ATOM 309 CA GLN A 20 5.636 26.269 -4.388 1.00 0.00 C ATOM 310 C GLN A 20 6.229 27.554 -3.790 1.00 0.00 C ATOM 311 O GLN A 20 5.487 28.426 -3.359 1.00 0.00 O ATOM 312 CB GLN A 20 5.716 25.075 -3.374 1.00 0.00 C ATOM 313 CG GLN A 20 5.786 25.436 -1.871 1.00 0.00 C ATOM 314 CD GLN A 20 6.051 24.220 -0.976 1.00 0.00 C ATOM 315 OE1 GLN A 20 7.202 23.869 -0.701 1.00 0.00 O ATOM 316 NE2 GLN A 20 4.995 23.581 -0.514 1.00 0.00 N ATOM 0 H GLN A 20 6.830 25.048 -5.621 1.00 0.00 H new ATOM 0 HA GLN A 20 4.584 26.465 -4.594 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.845 24.439 -3.530 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.594 24.479 -3.621 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.574 26.173 -1.716 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.848 25.904 -1.571 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.058 23.899 -0.762 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.115 22.769 0.091 1.00 0.00 H new ATOM 325 N ARG A 21 7.563 27.666 -3.793 1.00 0.00 N ATOM 326 CA ARG A 21 8.263 28.768 -3.115 1.00 0.00 C ATOM 327 C ARG A 21 8.160 30.063 -3.921 1.00 0.00 C ATOM 328 O ARG A 21 8.018 31.130 -3.324 1.00 0.00 O ATOM 329 CB ARG A 21 9.736 28.386 -2.816 1.00 0.00 C ATOM 330 CG ARG A 21 9.858 27.183 -1.855 1.00 0.00 C ATOM 331 CD ARG A 21 9.203 27.435 -0.476 1.00 0.00 C ATOM 332 NE ARG A 21 8.868 26.174 0.211 1.00 0.00 N ATOM 333 CZ ARG A 21 8.452 26.071 1.482 1.00 0.00 C ATOM 334 NH1 ARG A 21 8.464 27.123 2.295 1.00 0.00 N ATOM 335 NH2 ARG A 21 8.036 24.897 1.941 1.00 0.00 N ATOM 0 H ARG A 21 8.183 27.004 -4.259 1.00 0.00 H new ATOM 0 HA ARG A 21 7.774 28.947 -2.158 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.243 28.151 -3.752 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.249 29.245 -2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.395 26.310 -2.316 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.912 26.947 -1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.881 28.019 0.147 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.298 28.029 -0.607 1.00 0.00 H new ATOM 0 HE ARG A 21 8.960 25.310 -0.324 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.793 28.027 1.955 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.144 27.026 3.259 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.034 24.081 1.328 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.718 24.810 2.906 1.00 0.00 H new ATOM 349 N GLU A 22 8.192 29.956 -5.270 1.00 0.00 N ATOM 350 CA GLU A 22 8.002 31.122 -6.158 1.00 0.00 C ATOM 351 C GLU A 22 6.550 31.626 -6.068 1.00 0.00 C ATOM 352 O GLU A 22 6.323 32.830 -6.068 1.00 0.00 O ATOM 353 CB GLU A 22 8.387 30.806 -7.631 1.00 0.00 C ATOM 354 CG GLU A 22 7.466 29.803 -8.347 1.00 0.00 C ATOM 355 CD GLU A 22 7.947 29.401 -9.750 1.00 0.00 C ATOM 356 OE1 GLU A 22 9.034 28.789 -9.856 1.00 0.00 O ATOM 357 OE2 GLU A 22 7.250 29.692 -10.749 1.00 0.00 O ATOM 0 H GLU A 22 8.347 29.077 -5.764 1.00 0.00 H new ATOM 0 HA GLU A 22 8.674 31.910 -5.817 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.392 31.738 -8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.405 30.417 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.377 28.906 -7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.468 30.235 -8.426 1.00 0.00 H new ATOM 364 N LEU A 23 5.578 30.687 -5.968 1.00 0.00 N ATOM 365 CA LEU A 23 4.156 31.027 -5.767 1.00 0.00 C ATOM 366 C LEU A 23 3.940 31.648 -4.390 1.00 0.00 C ATOM 367 O LEU A 23 3.186 32.596 -4.272 1.00 0.00 O ATOM 368 CB LEU A 23 3.222 29.797 -5.909 1.00 0.00 C ATOM 369 CG LEU A 23 3.000 29.227 -7.340 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.100 27.976 -7.281 1.00 0.00 C ATOM 371 CD2 LEU A 23 2.425 30.299 -8.296 1.00 0.00 C ATOM 0 H LEU A 23 5.759 29.685 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 23 3.901 31.742 -6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.622 28.997 -5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.248 30.064 -5.498 1.00 0.00 H new ATOM 0 HG LEU A 23 3.968 28.932 -7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.952 27.586 -8.288 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.576 27.214 -6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.135 28.242 -6.849 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.283 29.865 -9.286 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.467 30.651 -7.913 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.119 31.137 -8.363 1.00 0.00 H new ATOM 383 N TYR A 24 4.624 31.090 -3.370 1.00 0.00 N ATOM 384 CA TYR A 24 4.467 31.483 -1.955 1.00 0.00 C ATOM 385 C TYR A 24 4.708 32.992 -1.800 1.00 0.00 C ATOM 386 O TYR A 24 3.821 33.715 -1.373 1.00 0.00 O ATOM 387 CB TYR A 24 5.433 30.661 -1.031 1.00 0.00 C ATOM 388 CG TYR A 24 4.722 29.831 0.057 1.00 0.00 C ATOM 389 CD1 TYR A 24 4.295 30.421 1.253 1.00 0.00 C ATOM 390 CD2 TYR A 24 4.479 28.468 -0.114 1.00 0.00 C ATOM 391 CE1 TYR A 24 3.653 29.682 2.229 1.00 0.00 C ATOM 392 CE2 TYR A 24 3.838 27.728 0.859 1.00 0.00 C ATOM 393 CZ TYR A 24 3.428 28.337 2.029 1.00 0.00 C ATOM 394 OH TYR A 24 2.805 27.592 3.008 1.00 0.00 O ATOM 0 H TYR A 24 5.308 30.346 -3.507 1.00 0.00 H new ATOM 0 HA TYR A 24 3.447 31.259 -1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.027 29.990 -1.652 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.128 31.349 -0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.471 31.474 1.416 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.798 27.983 -1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 24 3.329 30.156 3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.657 26.674 0.706 1.00 0.00 H new ATOM 0 HH TYR A 24 2.722 26.663 2.709 1.00 0.00 H new ATOM 404 N ARG A 25 5.903 33.434 -2.208 1.00 0.00 N ATOM 405 CA ARG A 25 6.290 34.863 -2.193 1.00 0.00 C ATOM 406 C ARG A 25 5.418 35.707 -3.172 1.00 0.00 C ATOM 407 O ARG A 25 5.074 36.851 -2.870 1.00 0.00 O ATOM 408 CB ARG A 25 7.812 35.000 -2.511 1.00 0.00 C ATOM 409 CG ARG A 25 8.272 34.217 -3.759 1.00 0.00 C ATOM 410 CD ARG A 25 9.778 34.356 -4.088 1.00 0.00 C ATOM 411 NE ARG A 25 10.035 35.455 -5.033 1.00 0.00 N ATOM 412 CZ ARG A 25 11.148 35.598 -5.775 1.00 0.00 C ATOM 413 NH1 ARG A 25 12.188 34.796 -5.619 1.00 0.00 N ATOM 414 NH2 ARG A 25 11.209 36.553 -6.684 1.00 0.00 N ATOM 0 H ARG A 25 6.635 32.816 -2.559 1.00 0.00 H new ATOM 0 HA ARG A 25 6.107 35.261 -1.195 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.049 36.055 -2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.384 34.656 -1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.041 33.162 -3.615 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.693 34.556 -4.618 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.336 34.531 -3.168 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.145 33.421 -4.511 1.00 0.00 H new ATOM 0 HE ARG A 25 9.310 36.166 -5.133 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.157 34.050 -4.924 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.021 34.924 -6.193 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.415 37.178 -6.821 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.050 36.666 -7.249 1.00 0.00 H new ATOM 428 N ARG A 26 5.032 35.101 -4.315 1.00 0.00 N ATOM 429 CA ARG A 26 4.222 35.769 -5.376 1.00 0.00 C ATOM 430 C ARG A 26 2.815 36.169 -4.881 1.00 0.00 C ATOM 431 O ARG A 26 2.319 37.249 -5.212 1.00 0.00 O ATOM 432 CB ARG A 26 4.114 34.819 -6.597 1.00 0.00 C ATOM 433 CG ARG A 26 3.217 35.279 -7.766 1.00 0.00 C ATOM 434 CD ARG A 26 3.263 34.281 -8.936 1.00 0.00 C ATOM 435 NE ARG A 26 2.431 34.704 -10.074 1.00 0.00 N ATOM 436 CZ ARG A 26 2.333 34.044 -11.239 1.00 0.00 C ATOM 437 NH1 ARG A 26 3.047 32.948 -11.471 1.00 0.00 N ATOM 438 NH2 ARG A 26 1.528 34.499 -12.182 1.00 0.00 N ATOM 0 H ARG A 26 5.270 34.134 -4.536 1.00 0.00 H new ATOM 0 HA ARG A 26 4.727 36.693 -5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.118 34.652 -6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.744 33.856 -6.245 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.190 35.386 -7.418 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.541 36.261 -8.111 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.294 34.164 -9.269 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.927 33.304 -8.589 1.00 0.00 H new ATOM 0 HE ARG A 26 1.889 35.562 -9.970 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.684 32.594 -10.757 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.958 32.461 -12.363 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.985 35.348 -12.023 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.449 34.002 -13.069 1.00 0.00 H new ATOM 452 N LEU A 27 2.170 35.284 -4.101 1.00 0.00 N ATOM 453 CA LEU A 27 0.822 35.532 -3.553 1.00 0.00 C ATOM 454 C LEU A 27 0.928 36.229 -2.189 1.00 0.00 C ATOM 455 O LEU A 27 0.021 36.958 -1.798 1.00 0.00 O ATOM 456 CB LEU A 27 -0.022 34.215 -3.521 1.00 0.00 C ATOM 457 CG LEU A 27 0.556 32.988 -2.721 1.00 0.00 C ATOM 458 CD1 LEU A 27 0.167 32.997 -1.232 1.00 0.00 C ATOM 459 CD2 LEU A 27 0.161 31.656 -3.384 1.00 0.00 C ATOM 0 H LEU A 27 2.564 34.382 -3.833 1.00 0.00 H new ATOM 0 HA LEU A 27 0.280 36.212 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.000 34.455 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.184 33.896 -4.551 1.00 0.00 H new ATOM 0 HG LEU A 27 1.641 33.087 -2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.597 32.125 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.547 33.904 -0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.919 32.968 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.574 30.827 -2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.925 31.572 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.554 31.625 -4.400 1.00 0.00 H new ATOM 471 N HIS A 28 2.088 36.055 -1.508 1.00 0.00 N ATOM 472 CA HIS A 28 2.461 36.855 -0.315 1.00 0.00 C ATOM 473 C HIS A 28 3.161 38.166 -0.754 1.00 0.00 C ATOM 474 O HIS A 28 4.021 38.672 -0.051 1.00 0.00 O ATOM 475 CB HIS A 28 3.373 36.052 0.664 1.00 0.00 C ATOM 476 CG HIS A 28 2.648 35.054 1.526 1.00 0.00 C ATOM 477 ND1 HIS A 28 2.132 35.375 2.757 1.00 0.00 N ATOM 478 CD2 HIS A 28 2.368 33.744 1.343 1.00 0.00 C ATOM 479 CE1 HIS A 28 1.567 34.316 3.285 1.00 0.00 C ATOM 480 NE2 HIS A 28 1.699 33.312 2.447 1.00 0.00 N ATOM 0 H HIS A 28 2.788 35.360 -1.769 1.00 0.00 H new ATOM 0 HA HIS A 28 1.544 37.098 0.222 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.131 35.527 0.084 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.897 36.756 1.310 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.627 33.149 0.479 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.076 34.276 4.246 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.356 32.364 2.599 1.00 0.00 H new ATOM 932 N LEU A 58 -4.197 36.989 -1.730 1.00 0.00 N ATOM 933 CA LEU A 58 -3.399 35.886 -2.280 1.00 0.00 C ATOM 934 C LEU A 58 -4.001 35.516 -3.646 1.00 0.00 C ATOM 935 O LEU A 58 -5.229 35.376 -3.757 1.00 0.00 O ATOM 936 CB LEU A 58 -3.404 34.641 -1.349 1.00 0.00 C ATOM 937 CG LEU A 58 -3.112 34.864 0.171 1.00 0.00 C ATOM 938 CD1 LEU A 58 -2.952 33.512 0.893 1.00 0.00 C ATOM 939 CD2 LEU A 58 -1.887 35.773 0.416 1.00 0.00 C ATOM 0 HA LEU A 58 -2.362 36.207 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.379 34.162 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.667 33.934 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.972 35.387 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.749 33.686 1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.870 32.934 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.123 32.959 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.732 35.893 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.002 35.319 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.062 36.749 -0.037 1.00 0.00 H new ATOM 951 N GLY A 59 -3.142 35.384 -4.675 1.00 0.00 N ATOM 952 CA GLY A 59 -3.585 34.995 -6.020 1.00 0.00 C ATOM 953 C GLY A 59 -4.171 33.582 -6.030 1.00 0.00 C ATOM 954 O GLY A 59 -3.542 32.668 -5.504 1.00 0.00 O ATOM 0 H GLY A 59 -2.137 35.542 -4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.333 35.703 -6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.743 35.046 -6.710 1.00 0.00 H new ATOM 958 N GLN A 60 -5.376 33.423 -6.614 1.00 0.00 N ATOM 959 CA GLN A 60 -6.123 32.139 -6.634 1.00 0.00 C ATOM 960 C GLN A 60 -5.376 31.041 -7.420 1.00 0.00 C ATOM 961 O GLN A 60 -5.360 29.881 -6.999 1.00 0.00 O ATOM 962 CB GLN A 60 -7.533 32.350 -7.238 1.00 0.00 C ATOM 963 CG GLN A 60 -8.445 33.285 -6.419 1.00 0.00 C ATOM 964 CD GLN A 60 -9.799 33.534 -7.089 1.00 0.00 C ATOM 965 OE1 GLN A 60 -10.771 32.813 -6.852 1.00 0.00 O ATOM 966 NE2 GLN A 60 -9.864 34.555 -7.932 1.00 0.00 N ATOM 0 H GLN A 60 -5.865 34.182 -7.088 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.212 31.802 -5.601 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -7.427 32.756 -8.244 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -8.022 31.381 -7.336 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.608 32.852 -5.432 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.939 34.239 -6.269 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.038 35.129 -8.102 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.740 34.767 -8.410 1.00 0.00 H new ATOM 975 N VAL A 61 -4.776 31.431 -8.566 1.00 0.00 N ATOM 976 CA VAL A 61 -3.893 30.551 -9.375 1.00 0.00 C ATOM 977 C VAL A 61 -2.728 30.056 -8.507 1.00 0.00 C ATOM 978 O VAL A 61 -2.325 28.894 -8.592 1.00 0.00 O ATOM 979 CB VAL A 61 -3.331 31.311 -10.646 1.00 0.00 C ATOM 980 CG1 VAL A 61 -2.407 30.404 -11.502 1.00 0.00 C ATOM 981 CG2 VAL A 61 -4.483 31.890 -11.506 1.00 0.00 C ATOM 0 H VAL A 61 -4.888 32.365 -8.960 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.482 29.702 -9.723 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.727 32.141 -10.281 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.044 30.964 -12.363 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.560 30.075 -10.899 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.967 29.534 -11.845 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.067 32.406 -12.371 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.129 31.079 -11.843 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.065 32.593 -10.909 1.00 0.00 H new ATOM 991 N GLY A 62 -2.226 30.976 -7.665 1.00 0.00 N ATOM 992 CA GLY A 62 -1.158 30.684 -6.732 1.00 0.00 C ATOM 993 C GLY A 62 -1.587 29.648 -5.702 1.00 0.00 C ATOM 994 O GLY A 62 -0.985 28.594 -5.629 1.00 0.00 O ATOM 0 H GLY A 62 -2.559 31.939 -7.623 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.287 30.319 -7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.856 31.600 -6.225 1.00 0.00 H new ATOM 998 N GLN A 63 -2.679 29.956 -4.963 1.00 0.00 N ATOM 999 CA GLN A 63 -3.213 29.131 -3.846 1.00 0.00 C ATOM 1000 C GLN A 63 -3.577 27.705 -4.301 1.00 0.00 C ATOM 1001 O GLN A 63 -3.332 26.734 -3.589 1.00 0.00 O ATOM 1002 CB GLN A 63 -4.498 29.783 -3.273 1.00 0.00 C ATOM 1003 CG GLN A 63 -4.334 31.111 -2.504 1.00 0.00 C ATOM 1004 CD GLN A 63 -5.690 31.756 -2.162 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -5.785 32.398 -1.010 1.00 0.00 O flip ATOM 1006 NE2 GLN A 63 -6.654 31.648 -2.921 1.00 0.00 N flip ATOM 0 H GLN A 63 -3.226 30.801 -5.127 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.427 29.076 -3.093 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.187 29.955 -4.100 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.973 29.063 -2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.777 30.930 -1.584 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.744 31.805 -3.103 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.554 31.148 -3.804 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.552 32.059 -2.666 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.215 27.626 -5.471 1.00 0.00 N ATOM 1016 CA ASP A 64 -4.770 26.369 -6.014 1.00 0.00 C ATOM 1017 C ASP A 64 -3.644 25.435 -6.436 1.00 0.00 C ATOM 1018 O ASP A 64 -3.621 24.257 -6.054 1.00 0.00 O ATOM 1019 CB ASP A 64 -5.696 26.653 -7.221 1.00 0.00 C ATOM 1020 CG ASP A 64 -6.259 25.366 -7.868 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -7.119 24.704 -7.247 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -5.832 25.001 -8.992 1.00 0.00 O ATOM 0 H ASP A 64 -4.366 28.433 -6.077 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.357 25.891 -5.230 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.525 27.282 -6.896 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.143 27.218 -7.971 1.00 0.00 H new ATOM 1027 N GLU A 65 -2.722 25.991 -7.235 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.544 25.267 -7.713 1.00 0.00 C ATOM 1029 C GLU A 65 -0.669 24.866 -6.514 1.00 0.00 C ATOM 1030 O GLU A 65 -0.155 23.756 -6.472 1.00 0.00 O ATOM 1031 CB GLU A 65 -0.766 26.147 -8.724 1.00 0.00 C ATOM 1032 CG GLU A 65 0.349 25.410 -9.488 1.00 0.00 C ATOM 1033 CD GLU A 65 1.055 26.267 -10.559 1.00 0.00 C ATOM 1034 OE1 GLU A 65 0.418 26.566 -11.595 1.00 0.00 O ATOM 1035 OE2 GLU A 65 2.239 26.635 -10.381 1.00 0.00 O ATOM 0 H GLU A 65 -2.775 26.954 -7.566 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.846 24.356 -8.229 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.472 26.559 -9.445 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.327 26.990 -8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.092 25.058 -8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.076 24.528 -9.967 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.601 25.779 -5.518 1.00 0.00 N ATOM 1043 CA LEU A 66 0.148 25.601 -4.255 1.00 0.00 C ATOM 1044 C LEU A 66 -0.359 24.358 -3.517 1.00 0.00 C ATOM 1045 O LEU A 66 0.417 23.514 -3.125 1.00 0.00 O ATOM 1046 CB LEU A 66 -0.044 26.854 -3.337 1.00 0.00 C ATOM 1047 CG LEU A 66 1.110 27.227 -2.372 1.00 0.00 C ATOM 1048 CD1 LEU A 66 2.413 27.471 -3.140 1.00 0.00 C ATOM 1049 CD2 LEU A 66 0.719 28.466 -1.522 1.00 0.00 C ATOM 0 H LEU A 66 -1.076 26.680 -5.572 1.00 0.00 H new ATOM 0 HA LEU A 66 1.205 25.480 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.234 27.714 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.942 26.697 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 66 1.281 26.388 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.206 27.731 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.690 26.567 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.271 28.289 -3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.538 28.718 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.518 29.311 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.174 28.240 -0.939 1.00 0.00 H new ATOM 1061 N ARG A 67 -1.693 24.274 -3.373 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.363 23.197 -2.620 1.00 0.00 C ATOM 1063 C ARG A 67 -2.181 21.839 -3.323 1.00 0.00 C ATOM 1064 O ARG A 67 -2.081 20.808 -2.664 1.00 0.00 O ATOM 1065 CB ARG A 67 -3.870 23.524 -2.444 1.00 0.00 C ATOM 1066 CG ARG A 67 -4.630 22.554 -1.512 1.00 0.00 C ATOM 1067 CD ARG A 67 -6.114 22.907 -1.368 1.00 0.00 C ATOM 1068 NE ARG A 67 -6.794 22.010 -0.425 1.00 0.00 N ATOM 1069 CZ ARG A 67 -8.104 22.018 -0.153 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -8.940 22.799 -0.826 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -8.575 21.216 0.787 1.00 0.00 N ATOM 0 H ARG A 67 -2.339 24.952 -3.776 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.903 23.129 -1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.966 24.536 -2.051 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.348 23.516 -3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.539 21.539 -1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.162 22.562 -0.527 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.212 23.937 -1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.599 22.847 -2.342 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.220 21.323 0.064 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.587 23.407 -1.565 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.936 22.791 -0.604 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.941 20.600 1.296 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.572 21.214 1.003 1.00 0.00 H new ATOM 1085 N ALA A 68 -2.142 21.871 -4.671 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.886 20.680 -5.509 1.00 0.00 C ATOM 1087 C ALA A 68 -0.422 20.210 -5.352 1.00 0.00 C ATOM 1088 O ALA A 68 -0.139 19.007 -5.388 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.203 20.999 -6.983 1.00 0.00 C ATOM 0 H ALA A 68 -2.287 22.724 -5.210 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.536 19.870 -5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.012 20.118 -7.595 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.250 21.286 -7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.571 21.820 -7.322 1.00 0.00 H new ATOM 1095 N ILE A 69 0.493 21.190 -5.181 1.00 0.00 N ATOM 1096 CA ILE A 69 1.928 20.939 -4.940 1.00 0.00 C ATOM 1097 C ILE A 69 2.134 20.303 -3.552 1.00 0.00 C ATOM 1098 O ILE A 69 2.762 19.265 -3.445 1.00 0.00 O ATOM 1099 CB ILE A 69 2.771 22.271 -5.048 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.774 22.821 -6.512 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.214 22.073 -4.533 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.314 24.229 -6.665 1.00 0.00 C ATOM 0 H ILE A 69 0.254 22.181 -5.207 1.00 0.00 H new ATOM 0 HA ILE A 69 2.278 20.250 -5.709 1.00 0.00 H new ATOM 0 HB ILE A 69 2.290 23.012 -4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.366 22.151 -7.135 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.754 22.795 -6.896 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.764 23.010 -4.623 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.188 21.766 -3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.709 21.303 -5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.276 24.521 -7.714 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.709 24.917 -6.074 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.346 24.263 -6.317 1.00 0.00 H new ATOM 1114 N ASP A 70 1.603 20.975 -2.510 1.00 0.00 N ATOM 1115 CA ASP A 70 1.648 20.524 -1.096 1.00 0.00 C ATOM 1116 C ASP A 70 0.967 19.162 -0.902 1.00 0.00 C ATOM 1117 O ASP A 70 1.367 18.393 -0.031 1.00 0.00 O ATOM 1118 CB ASP A 70 0.989 21.586 -0.167 1.00 0.00 C ATOM 1119 CG ASP A 70 1.882 22.814 0.067 1.00 0.00 C ATOM 1120 OD1 ASP A 70 2.053 23.627 -0.865 1.00 0.00 O ATOM 1121 OD2 ASP A 70 2.434 22.967 1.181 1.00 0.00 O ATOM 0 H ASP A 70 1.120 21.866 -2.626 1.00 0.00 H new ATOM 0 HA ASP A 70 2.698 20.409 -0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.045 21.908 -0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.754 21.126 0.793 1.00 0.00 H new ATOM 1126 N ALA A 71 -0.074 18.894 -1.712 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.760 17.587 -1.745 1.00 0.00 C ATOM 1128 C ALA A 71 0.206 16.510 -2.257 1.00 0.00 C ATOM 1129 O ALA A 71 0.349 15.454 -1.648 1.00 0.00 O ATOM 1130 CB ALA A 71 -2.027 17.645 -2.625 1.00 0.00 C ATOM 0 H ALA A 71 -0.464 19.577 -2.362 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.074 17.333 -0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.511 16.668 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.715 18.389 -2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.751 17.919 -3.643 1.00 0.00 H new ATOM 1136 N ALA A 72 0.905 16.843 -3.358 1.00 0.00 N ATOM 1137 CA ALA A 72 1.880 15.954 -4.013 1.00 0.00 C ATOM 1138 C ALA A 72 3.145 15.748 -3.140 1.00 0.00 C ATOM 1139 O ALA A 72 3.684 14.645 -3.094 1.00 0.00 O ATOM 1140 CB ALA A 72 2.239 16.521 -5.394 1.00 0.00 C ATOM 0 H ALA A 72 0.807 17.746 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 72 1.426 14.971 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.960 15.865 -5.880 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.339 16.587 -6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.673 17.514 -5.278 1.00 0.00 H new ATOM 1146 N LEU A 73 3.570 16.809 -2.424 1.00 0.00 N ATOM 1147 CA LEU A 73 4.730 16.779 -1.497 1.00 0.00 C ATOM 1148 C LEU A 73 4.385 15.960 -0.243 1.00 0.00 C ATOM 1149 O LEU A 73 5.247 15.285 0.329 1.00 0.00 O ATOM 1150 CB LEU A 73 5.161 18.223 -1.095 1.00 0.00 C ATOM 1151 CG LEU A 73 5.876 19.066 -2.204 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.138 20.513 -1.730 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.190 18.388 -2.662 1.00 0.00 C ATOM 0 H LEU A 73 3.116 17.721 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 73 5.566 16.305 -2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.274 18.767 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.826 18.155 -0.234 1.00 0.00 H new ATOM 0 HG LEU A 73 5.206 19.114 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.635 21.071 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.190 20.994 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.774 20.496 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.664 18.996 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.864 18.290 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.968 17.400 -3.065 1.00 0.00 H new ATOM 1165 N ALA A 74 3.103 16.043 0.163 1.00 0.00 N ATOM 1166 CA ALA A 74 2.536 15.231 1.251 1.00 0.00 C ATOM 1167 C ALA A 74 2.566 13.743 0.871 1.00 0.00 C ATOM 1168 O ALA A 74 2.815 12.885 1.717 1.00 0.00 O ATOM 1169 CB ALA A 74 1.098 15.678 1.569 1.00 0.00 C ATOM 0 H ALA A 74 2.429 16.681 -0.260 1.00 0.00 H new ATOM 0 HA ALA A 74 3.143 15.376 2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.697 15.065 2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.101 16.724 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.476 15.562 0.681 1.00 0.00 H new ATOM 1175 N ARG A 75 2.323 13.463 -0.428 1.00 0.00 N ATOM 1176 CA ARG A 75 2.398 12.104 -0.981 1.00 0.00 C ATOM 1177 C ARG A 75 3.851 11.587 -0.971 1.00 0.00 C ATOM 1178 O ARG A 75 4.072 10.411 -0.757 1.00 0.00 O ATOM 1179 CB ARG A 75 1.831 12.030 -2.425 1.00 0.00 C ATOM 1180 CG ARG A 75 0.369 12.475 -2.641 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.672 11.749 -1.760 1.00 0.00 C ATOM 1182 NE ARG A 75 -0.693 12.237 -0.363 1.00 0.00 N ATOM 1183 CZ ARG A 75 -1.494 11.765 0.606 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -2.350 10.778 0.366 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -1.432 12.281 1.822 1.00 0.00 N ATOM 0 H ARG A 75 2.071 14.173 -1.115 1.00 0.00 H new ATOM 0 HA ARG A 75 1.783 11.470 -0.342 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.466 12.640 -3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.923 11.000 -2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.299 13.546 -2.451 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.109 12.319 -3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.662 11.877 -2.198 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.458 10.680 -1.762 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.050 12.990 -0.117 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.406 10.367 -0.566 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.951 10.431 1.113 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.777 13.036 2.023 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.040 11.924 2.559 1.00 0.00 H new ATOM 1199 N ILE A 76 4.832 12.481 -1.217 1.00 0.00 N ATOM 1200 CA ILE A 76 6.272 12.112 -1.214 1.00 0.00 C ATOM 1201 C ILE A 76 6.734 11.761 0.216 1.00 0.00 C ATOM 1202 O ILE A 76 7.435 10.762 0.434 1.00 0.00 O ATOM 1203 CB ILE A 76 7.173 13.262 -1.809 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.688 13.631 -3.244 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.671 12.855 -1.814 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.392 14.795 -3.908 1.00 0.00 C ATOM 0 H ILE A 76 4.657 13.465 -1.421 1.00 0.00 H new ATOM 0 HA ILE A 76 6.387 11.237 -1.853 1.00 0.00 H new ATOM 0 HB ILE A 76 7.077 14.141 -1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.802 12.753 -3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.622 13.856 -3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.267 13.667 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.996 12.651 -0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.803 11.960 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.970 14.957 -4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.258 15.693 -3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.456 14.574 -3.998 1.00 0.00 H new ATOM 1218 N ALA A 77 6.295 12.588 1.180 1.00 0.00 N ATOM 1219 CA ALA A 77 6.579 12.401 2.619 1.00 0.00 C ATOM 1220 C ALA A 77 5.885 11.133 3.166 1.00 0.00 C ATOM 1221 O ALA A 77 6.363 10.509 4.117 1.00 0.00 O ATOM 1222 CB ALA A 77 6.139 13.652 3.398 1.00 0.00 C ATOM 0 H ALA A 77 5.728 13.413 0.984 1.00 0.00 H new ATOM 0 HA ALA A 77 7.652 12.263 2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.349 13.513 4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.686 14.520 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.070 13.811 3.258 1.00 0.00 H new ATOM 1228 N SER A 78 4.746 10.773 2.543 1.00 0.00 N ATOM 1229 CA SER A 78 3.989 9.550 2.862 1.00 0.00 C ATOM 1230 C SER A 78 4.509 8.335 2.046 1.00 0.00 C ATOM 1231 O SER A 78 4.205 7.191 2.379 1.00 0.00 O ATOM 1232 CB SER A 78 2.489 9.795 2.588 1.00 0.00 C ATOM 1233 OG SER A 78 1.700 8.666 2.916 1.00 0.00 O ATOM 0 H SER A 78 4.323 11.328 1.799 1.00 0.00 H new ATOM 0 HA SER A 78 4.130 9.313 3.917 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.150 10.655 3.166 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.348 10.043 1.536 1.00 0.00 H new ATOM 0 HG SER A 78 0.758 8.860 2.730 1.00 0.00 H new ATOM 1239 N GLY A 79 5.289 8.606 0.978 1.00 0.00 N ATOM 1240 CA GLY A 79 5.838 7.561 0.093 1.00 0.00 C ATOM 1241 C GLY A 79 4.855 7.072 -0.980 1.00 0.00 C ATOM 1242 O GLY A 79 5.161 6.140 -1.726 1.00 0.00 O ATOM 0 H GLY A 79 5.554 9.553 0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.732 7.947 -0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.149 6.711 0.701 1.00 0.00 H new ATOM 1246 N THR A 80 3.682 7.719 -1.063 1.00 0.00 N ATOM 1247 CA THR A 80 2.592 7.352 -1.987 1.00 0.00 C ATOM 1248 C THR A 80 2.441 8.423 -3.106 1.00 0.00 C ATOM 1249 O THR A 80 1.344 8.666 -3.622 1.00 0.00 O ATOM 1250 CB THR A 80 1.256 7.145 -1.177 1.00 0.00 C ATOM 1251 OG1 THR A 80 0.216 6.645 -2.037 1.00 0.00 O ATOM 1252 CG2 THR A 80 0.768 8.433 -0.473 1.00 0.00 C ATOM 0 H THR A 80 3.458 8.526 -0.481 1.00 0.00 H new ATOM 0 HA THR A 80 2.833 6.410 -2.480 1.00 0.00 H new ATOM 0 HB THR A 80 1.481 6.415 -0.400 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.156 7.206 -2.838 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.155 8.225 0.067 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.529 8.775 0.228 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.586 9.208 -1.218 1.00 0.00 H new ATOM 1260 N PHE A 81 3.564 9.083 -3.468 1.00 0.00 N ATOM 1261 CA PHE A 81 3.621 9.984 -4.639 1.00 0.00 C ATOM 1262 C PHE A 81 3.380 9.217 -5.948 1.00 0.00 C ATOM 1263 O PHE A 81 3.764 8.046 -6.075 1.00 0.00 O ATOM 1264 CB PHE A 81 4.967 10.745 -4.695 1.00 0.00 C ATOM 1265 CG PHE A 81 5.063 11.751 -5.861 1.00 0.00 C ATOM 1266 CD1 PHE A 81 4.315 12.934 -5.843 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.861 11.501 -6.980 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.373 13.831 -6.893 1.00 0.00 C ATOM 1269 CE2 PHE A 81 5.911 12.399 -8.029 1.00 0.00 C ATOM 1270 CZ PHE A 81 5.170 13.565 -7.984 1.00 0.00 C ATOM 0 H PHE A 81 4.447 9.007 -2.962 1.00 0.00 H new ATOM 0 HA PHE A 81 2.821 10.716 -4.525 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.113 11.277 -3.755 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.779 10.023 -4.782 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.682 13.149 -4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.446 10.594 -7.026 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.793 14.741 -6.858 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.532 12.189 -8.888 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.216 14.267 -8.804 1.00 0.00 H new ATOM 1280 N GLY A 82 2.756 9.912 -6.919 1.00 0.00 N ATOM 1281 CA GLY A 82 2.376 9.309 -8.182 1.00 0.00 C ATOM 1282 C GLY A 82 1.222 8.340 -8.004 1.00 0.00 C ATOM 1283 O GLY A 82 1.230 7.249 -8.560 1.00 0.00 O ATOM 0 H GLY A 82 2.509 10.898 -6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.093 10.089 -8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.231 8.785 -8.609 1.00 0.00 H new ATOM 1287 N THR A 83 0.234 8.758 -7.190 1.00 0.00 N ATOM 1288 CA THR A 83 -0.976 7.979 -6.886 1.00 0.00 C ATOM 1289 C THR A 83 -2.230 8.843 -7.100 1.00 0.00 C ATOM 1290 O THR A 83 -2.358 9.920 -6.500 1.00 0.00 O ATOM 1291 CB THR A 83 -0.938 7.453 -5.412 1.00 0.00 C ATOM 1292 OG1 THR A 83 0.199 6.598 -5.242 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.217 6.696 -4.993 1.00 0.00 C ATOM 0 H THR A 83 0.257 9.662 -6.718 1.00 0.00 H new ATOM 0 HA THR A 83 -1.012 7.124 -7.561 1.00 0.00 H new ATOM 0 HB THR A 83 -0.869 8.330 -4.768 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.863 7.045 -4.677 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.120 6.361 -3.960 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.077 7.360 -5.079 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.358 5.832 -5.643 1.00 0.00 H new ATOM 1301 N CYS A 84 -3.141 8.377 -7.982 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.469 8.981 -8.139 1.00 0.00 C ATOM 1303 C CYS A 84 -5.350 8.544 -6.967 1.00 0.00 C ATOM 1304 O CYS A 84 -5.850 7.414 -6.965 1.00 0.00 O ATOM 1305 CB CYS A 84 -5.148 8.584 -9.475 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.774 9.402 -9.707 1.00 0.00 S ATOM 0 H CYS A 84 -2.973 7.580 -8.596 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.345 10.064 -8.152 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.491 8.846 -10.305 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.282 7.503 -9.504 1.00 0.00 H new ATOM 0 HG CYS A 84 -7.635 8.537 -10.155 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.493 9.441 -5.969 1.00 0.00 N ATOM 1312 CA VAL A 85 -6.345 9.224 -4.774 1.00 0.00 C ATOM 1313 C VAL A 85 -7.829 9.012 -5.162 1.00 0.00 C ATOM 1314 O VAL A 85 -8.565 8.282 -4.494 1.00 0.00 O ATOM 1315 CB VAL A 85 -6.220 10.422 -3.745 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -4.771 10.555 -3.215 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -6.716 11.767 -4.355 1.00 0.00 C ATOM 0 H VAL A 85 -5.018 10.344 -5.967 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.983 8.316 -4.292 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.870 10.189 -2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.716 11.385 -2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.482 9.633 -2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.094 10.741 -4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.613 12.562 -3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.119 12.010 -5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.763 11.672 -4.642 1.00 0.00 H new ATOM 1327 N LYS A 86 -8.219 9.625 -6.293 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.599 9.603 -6.818 1.00 0.00 C ATOM 1329 C LYS A 86 -9.930 8.245 -7.511 1.00 0.00 C ATOM 1330 O LYS A 86 -11.065 8.003 -7.921 1.00 0.00 O ATOM 1331 CB LYS A 86 -9.754 10.797 -7.802 1.00 0.00 C ATOM 1332 CG LYS A 86 -11.208 11.235 -8.086 1.00 0.00 C ATOM 1333 CD LYS A 86 -11.289 12.340 -9.163 1.00 0.00 C ATOM 1334 CE LYS A 86 -12.678 12.993 -9.275 1.00 0.00 C ATOM 1335 NZ LYS A 86 -13.741 12.001 -9.576 1.00 0.00 N ATOM 0 H LYS A 86 -7.576 10.158 -6.878 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.308 9.703 -5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.207 11.650 -7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.281 10.531 -8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.788 10.371 -8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.663 11.596 -7.164 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.552 13.111 -8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.018 11.914 -10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.914 13.504 -8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.659 13.752 -10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.656 12.488 -9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.522 11.519 -10.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.790 11.301 -8.809 1.00 0.00 H new ATOM 1349 N CYS A 87 -8.908 7.378 -7.644 1.00 0.00 N ATOM 1350 CA CYS A 87 -9.044 6.014 -8.226 1.00 0.00 C ATOM 1351 C CYS A 87 -8.541 4.911 -7.265 1.00 0.00 C ATOM 1352 O CYS A 87 -9.098 3.813 -7.231 1.00 0.00 O ATOM 1353 CB CYS A 87 -8.255 5.912 -9.555 1.00 0.00 C ATOM 1354 SG CYS A 87 -8.999 6.768 -10.961 1.00 0.00 S ATOM 0 H CYS A 87 -7.956 7.598 -7.351 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.108 5.856 -8.403 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.254 6.312 -9.396 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.141 4.859 -9.811 1.00 0.00 H new ATOM 0 HG CYS A 87 -8.074 7.390 -11.630 1.00 0.00 H new ATOM 1359 N GLY A 88 -7.499 5.227 -6.479 1.00 0.00 N ATOM 1360 CA GLY A 88 -6.661 4.199 -5.832 1.00 0.00 C ATOM 1361 C GLY A 88 -5.513 3.739 -6.744 1.00 0.00 C ATOM 1362 O GLY A 88 -4.759 2.822 -6.395 1.00 0.00 O ATOM 0 H GLY A 88 -7.215 6.185 -6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.250 4.597 -4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.279 3.342 -5.566 1.00 0.00 H new ATOM 1366 N LYS A 89 -5.367 4.423 -7.903 1.00 0.00 N ATOM 1367 CA LYS A 89 -4.403 4.061 -8.976 1.00 0.00 C ATOM 1368 C LYS A 89 -3.111 4.867 -8.854 1.00 0.00 C ATOM 1369 O LYS A 89 -2.899 5.581 -7.885 1.00 0.00 O ATOM 1370 CB LYS A 89 -5.023 4.327 -10.387 1.00 0.00 C ATOM 1371 CG LYS A 89 -5.946 3.228 -10.935 1.00 0.00 C ATOM 1372 CD LYS A 89 -6.425 3.561 -12.364 1.00 0.00 C ATOM 1373 CE LYS A 89 -7.246 2.439 -12.991 1.00 0.00 C ATOM 1374 NZ LYS A 89 -7.696 2.808 -14.354 1.00 0.00 N ATOM 0 H LYS A 89 -5.920 5.251 -8.124 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.179 3.000 -8.862 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.586 5.259 -10.345 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.210 4.478 -11.097 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.418 2.275 -10.939 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.808 3.112 -10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.023 4.472 -12.338 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.559 3.766 -12.993 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.649 1.528 -13.035 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.111 2.223 -12.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.322 2.065 -14.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.213 3.710 -14.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.869 2.908 -14.977 1.00 0.00 H new ATOM 1388 N ARG A 90 -2.257 4.720 -9.875 1.00 0.00 N ATOM 1389 CA ARG A 90 -1.065 5.546 -10.075 1.00 0.00 C ATOM 1390 C ARG A 90 -1.395 6.763 -10.963 1.00 0.00 C ATOM 1391 O ARG A 90 -2.459 6.831 -11.604 1.00 0.00 O ATOM 1392 CB ARG A 90 0.070 4.702 -10.724 1.00 0.00 C ATOM 1393 CG ARG A 90 0.629 3.571 -9.831 1.00 0.00 C ATOM 1394 CD ARG A 90 1.325 4.107 -8.567 1.00 0.00 C ATOM 1395 NE ARG A 90 1.965 3.032 -7.790 1.00 0.00 N ATOM 1396 CZ ARG A 90 3.245 2.640 -7.915 1.00 0.00 C ATOM 1397 NH1 ARG A 90 4.078 3.259 -8.753 1.00 0.00 N ATOM 1398 NH2 ARG A 90 3.698 1.643 -7.174 1.00 0.00 N ATOM 0 H ARG A 90 -2.380 4.010 -10.597 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.726 5.906 -9.104 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.306 4.264 -11.648 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.888 5.368 -10.997 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.185 2.907 -9.540 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.337 2.975 -10.406 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.076 4.844 -8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.595 4.621 -7.942 1.00 0.00 H new ATOM 0 HE ARG A 90 1.391 2.546 -7.101 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.747 4.045 -9.313 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.046 2.947 -8.834 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.077 1.176 -6.513 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.668 1.341 -7.264 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.501 7.756 -10.924 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.432 8.822 -11.933 1.00 0.00 C ATOM 1414 C ILE A 91 0.576 8.358 -13.004 1.00 0.00 C ATOM 1415 O ILE A 91 1.589 7.724 -12.660 1.00 0.00 O ATOM 1416 CB ILE A 91 0.051 10.207 -11.330 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.729 10.606 -10.036 1.00 0.00 C ATOM 1418 CG2 ILE A 91 -0.058 11.336 -12.383 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -2.193 10.932 -10.231 1.00 0.00 C ATOM 0 H ILE A 91 0.200 7.845 -10.188 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.429 8.989 -12.340 1.00 0.00 H new ATOM 0 HB ILE A 91 1.096 10.074 -11.052 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.649 9.789 -9.319 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.239 11.471 -9.590 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.279 12.276 -11.945 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.565 11.092 -13.243 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.095 11.436 -12.703 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.638 11.195 -9.271 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.290 11.772 -10.919 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.707 10.064 -10.643 1.00 0.00 H new ATOM 1431 N SER A 92 0.304 8.668 -14.279 1.00 0.00 N ATOM 1432 CA SER A 92 1.233 8.364 -15.388 1.00 0.00 C ATOM 1433 C SER A 92 2.486 9.239 -15.257 1.00 0.00 C ATOM 1434 O SER A 92 2.379 10.385 -14.829 1.00 0.00 O ATOM 1435 CB SER A 92 0.556 8.620 -16.758 1.00 0.00 C ATOM 1436 OG SER A 92 -0.626 7.856 -16.898 1.00 0.00 O ATOM 0 H SER A 92 -0.555 9.132 -14.574 1.00 0.00 H new ATOM 0 HA SER A 92 1.511 7.311 -15.334 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.321 9.680 -16.857 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.250 8.371 -17.561 1.00 0.00 H new ATOM 0 HG SER A 92 -1.032 8.039 -17.771 1.00 0.00 H new ATOM 1442 N GLU A 93 3.662 8.692 -15.613 1.00 0.00 N ATOM 1443 CA GLU A 93 4.921 9.465 -15.652 1.00 0.00 C ATOM 1444 C GLU A 93 4.804 10.621 -16.666 1.00 0.00 C ATOM 1445 O GLU A 93 5.329 11.708 -16.439 1.00 0.00 O ATOM 1446 CB GLU A 93 6.126 8.564 -16.019 1.00 0.00 C ATOM 1447 CG GLU A 93 7.480 9.310 -16.019 1.00 0.00 C ATOM 1448 CD GLU A 93 8.640 8.466 -16.554 1.00 0.00 C ATOM 1449 OE1 GLU A 93 8.982 7.450 -15.922 1.00 0.00 O ATOM 1450 OE2 GLU A 93 9.221 8.813 -17.606 1.00 0.00 O ATOM 0 H GLU A 93 3.769 7.713 -15.879 1.00 0.00 H new ATOM 0 HA GLU A 93 5.093 9.873 -14.656 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.177 7.735 -15.313 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.959 8.132 -17.006 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.389 10.213 -16.623 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.711 9.628 -15.002 1.00 0.00 H new ATOM 1457 N ASP A 94 4.094 10.346 -17.778 1.00 0.00 N ATOM 1458 CA ASP A 94 3.775 11.338 -18.832 1.00 0.00 C ATOM 1459 C ASP A 94 2.978 12.511 -18.238 1.00 0.00 C ATOM 1460 O ASP A 94 3.226 13.676 -18.563 1.00 0.00 O ATOM 1461 CB ASP A 94 2.962 10.672 -19.977 1.00 0.00 C ATOM 1462 CG ASP A 94 3.675 9.445 -20.568 1.00 0.00 C ATOM 1463 OD1 ASP A 94 3.598 8.357 -19.953 1.00 0.00 O ATOM 1464 OD2 ASP A 94 4.344 9.566 -21.620 1.00 0.00 O ATOM 0 H ASP A 94 3.720 9.418 -17.975 1.00 0.00 H new ATOM 0 HA ASP A 94 4.711 11.718 -19.241 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.985 10.373 -19.598 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.788 11.402 -20.767 1.00 0.00 H new ATOM 1469 N ARG A 95 2.036 12.166 -17.343 1.00 0.00 N ATOM 1470 CA ARG A 95 1.214 13.142 -16.619 1.00 0.00 C ATOM 1471 C ARG A 95 2.063 13.893 -15.567 1.00 0.00 C ATOM 1472 O ARG A 95 1.896 15.086 -15.401 1.00 0.00 O ATOM 1473 CB ARG A 95 -0.001 12.436 -15.942 1.00 0.00 C ATOM 1474 CG ARG A 95 -0.998 13.380 -15.200 1.00 0.00 C ATOM 1475 CD ARG A 95 -2.072 14.016 -16.104 1.00 0.00 C ATOM 1476 NE ARG A 95 -1.501 14.797 -17.227 1.00 0.00 N ATOM 1477 CZ ARG A 95 -1.830 16.056 -17.556 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -2.666 16.757 -16.806 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -1.303 16.614 -18.633 1.00 0.00 N ATOM 0 H ARG A 95 1.825 11.197 -17.103 1.00 0.00 H new ATOM 0 HA ARG A 95 0.833 13.871 -17.335 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.550 11.884 -16.705 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.378 11.703 -15.229 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.494 12.815 -14.411 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.432 14.176 -14.715 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.712 13.230 -16.505 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.706 14.667 -15.502 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.795 14.336 -17.801 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.069 16.341 -15.966 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.907 17.713 -17.068 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.648 16.088 -19.211 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.551 17.571 -18.885 1.00 0.00 H new ATOM 1493 N LEU A 96 2.993 13.175 -14.899 1.00 0.00 N ATOM 1494 CA LEU A 96 3.843 13.735 -13.815 1.00 0.00 C ATOM 1495 C LEU A 96 4.886 14.731 -14.355 1.00 0.00 C ATOM 1496 O LEU A 96 5.230 15.700 -13.689 1.00 0.00 O ATOM 1497 CB LEU A 96 4.564 12.605 -13.028 1.00 0.00 C ATOM 1498 CG LEU A 96 3.673 11.747 -12.079 1.00 0.00 C ATOM 1499 CD1 LEU A 96 4.466 10.575 -11.459 1.00 0.00 C ATOM 1500 CD2 LEU A 96 3.019 12.622 -10.978 1.00 0.00 C ATOM 0 H LEU A 96 3.178 12.191 -15.093 1.00 0.00 H new ATOM 0 HA LEU A 96 3.174 14.271 -13.142 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.040 11.938 -13.747 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.360 13.055 -12.435 1.00 0.00 H new ATOM 0 HG LEU A 96 2.874 11.318 -12.684 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.812 10.000 -10.804 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.843 9.930 -12.253 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.304 10.967 -10.882 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.404 11.995 -10.332 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.797 13.101 -10.384 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.395 13.386 -11.443 1.00 0.00 H new ATOM 1512 N LYS A 97 5.409 14.462 -15.551 1.00 0.00 N ATOM 1513 CA LYS A 97 6.403 15.338 -16.197 1.00 0.00 C ATOM 1514 C LYS A 97 5.693 16.549 -16.838 1.00 0.00 C ATOM 1515 O LYS A 97 6.280 17.626 -16.972 1.00 0.00 O ATOM 1516 CB LYS A 97 7.252 14.539 -17.225 1.00 0.00 C ATOM 1517 CG LYS A 97 6.506 14.107 -18.509 1.00 0.00 C ATOM 1518 CD LYS A 97 7.364 13.200 -19.429 1.00 0.00 C ATOM 1519 CE LYS A 97 7.823 11.908 -18.737 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.590 11.013 -19.644 1.00 0.00 N ATOM 0 H LYS A 97 5.162 13.639 -16.101 1.00 0.00 H new ATOM 0 HA LYS A 97 7.095 15.719 -15.446 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.111 15.146 -17.511 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.641 13.647 -16.734 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.594 13.577 -18.233 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.203 14.995 -19.063 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.788 12.945 -20.318 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.239 13.756 -19.765 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.441 12.162 -17.876 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.951 11.374 -18.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.904 10.173 -19.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.984 10.719 -20.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.419 11.521 -20.013 1.00 0.00 H new ATOM 1534 N ALA A 98 4.416 16.341 -17.216 1.00 0.00 N ATOM 1535 CA ALA A 98 3.530 17.395 -17.743 1.00 0.00 C ATOM 1536 C ALA A 98 2.960 18.271 -16.601 1.00 0.00 C ATOM 1537 O ALA A 98 2.637 19.444 -16.813 1.00 0.00 O ATOM 1538 CB ALA A 98 2.393 16.746 -18.548 1.00 0.00 C ATOM 0 H ALA A 98 3.967 15.427 -17.163 1.00 0.00 H new ATOM 0 HA ALA A 98 4.109 18.048 -18.396 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.735 17.522 -18.940 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.813 16.175 -19.376 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.823 16.080 -17.900 1.00 0.00 H new ATOM 1544 N VAL A 99 2.838 17.665 -15.402 1.00 0.00 N ATOM 1545 CA VAL A 99 2.296 18.301 -14.184 1.00 0.00 C ATOM 1546 C VAL A 99 2.535 17.359 -12.963 1.00 0.00 C ATOM 1547 O VAL A 99 1.831 16.363 -12.793 1.00 0.00 O ATOM 1548 CB VAL A 99 0.756 18.690 -14.327 1.00 0.00 C ATOM 1549 CG1 VAL A 99 -0.119 17.519 -14.827 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.194 19.271 -13.011 1.00 0.00 C ATOM 0 H VAL A 99 3.120 16.697 -15.251 1.00 0.00 H new ATOM 0 HA VAL A 99 2.826 19.241 -14.027 1.00 0.00 H new ATOM 0 HB VAL A 99 0.712 19.465 -15.092 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.156 17.846 -14.904 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.232 17.195 -15.807 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.052 16.689 -14.124 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.857 19.525 -13.145 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.290 18.531 -12.216 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.752 20.168 -12.741 1.00 0.00 H new ATOM 1560 N PRO A 100 3.601 17.609 -12.132 1.00 0.00 N ATOM 1561 CA PRO A 100 3.861 16.805 -10.903 1.00 0.00 C ATOM 1562 C PRO A 100 2.900 17.158 -9.746 1.00 0.00 C ATOM 1563 O PRO A 100 2.821 16.431 -8.749 1.00 0.00 O ATOM 1564 CB PRO A 100 5.335 17.160 -10.563 1.00 0.00 C ATOM 1565 CG PRO A 100 5.532 18.543 -11.112 1.00 0.00 C ATOM 1566 CD PRO A 100 4.657 18.638 -12.348 1.00 0.00 C ATOM 0 HA PRO A 100 3.698 15.738 -11.057 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.511 17.132 -9.488 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.028 16.452 -11.017 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.250 19.297 -10.377 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.579 18.717 -11.362 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.226 19.634 -12.455 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.227 18.438 -13.255 1.00 0.00 H new ATOM 1574 N TYR A 101 2.172 18.279 -9.904 1.00 0.00 N ATOM 1575 CA TYR A 101 1.209 18.785 -8.916 1.00 0.00 C ATOM 1576 C TYR A 101 -0.214 18.439 -9.362 1.00 0.00 C ATOM 1577 O TYR A 101 -1.063 19.318 -9.573 1.00 0.00 O ATOM 1578 CB TYR A 101 1.405 20.321 -8.671 1.00 0.00 C ATOM 1579 CG TYR A 101 1.592 21.202 -9.929 1.00 0.00 C ATOM 1580 CD1 TYR A 101 2.859 21.385 -10.496 1.00 0.00 C ATOM 1581 CD2 TYR A 101 0.512 21.842 -10.545 1.00 0.00 C ATOM 1582 CE1 TYR A 101 3.037 22.165 -11.622 1.00 0.00 C ATOM 1583 CE2 TYR A 101 0.689 22.619 -11.674 1.00 0.00 C ATOM 1584 CZ TYR A 101 1.949 22.779 -12.206 1.00 0.00 C ATOM 1585 OH TYR A 101 2.122 23.551 -13.331 1.00 0.00 O ATOM 0 H TYR A 101 2.240 18.866 -10.736 1.00 0.00 H new ATOM 0 HA TYR A 101 1.386 18.299 -7.957 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.541 20.692 -8.120 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.275 20.456 -8.028 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.715 20.906 -10.044 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.479 21.727 -10.131 1.00 0.00 H new ATOM 0 HE1 TYR A 101 4.023 22.293 -12.043 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.159 23.100 -12.138 1.00 0.00 H new ATOM 0 HH TYR A 101 1.256 23.911 -13.617 1.00 0.00 H new ATOM 1595 N THR A 102 -0.461 17.133 -9.547 1.00 0.00 N ATOM 1596 CA THR A 102 -1.796 16.620 -9.852 1.00 0.00 C ATOM 1597 C THR A 102 -2.122 15.415 -8.929 1.00 0.00 C ATOM 1598 O THR A 102 -1.409 14.401 -8.935 1.00 0.00 O ATOM 1599 CB THR A 102 -1.961 16.254 -11.370 1.00 0.00 C ATOM 1600 OG1 THR A 102 -3.319 15.873 -11.631 1.00 0.00 O ATOM 1601 CG2 THR A 102 -1.006 15.139 -11.849 1.00 0.00 C ATOM 0 H THR A 102 0.257 16.411 -9.489 1.00 0.00 H new ATOM 0 HA THR A 102 -2.517 17.414 -9.655 1.00 0.00 H new ATOM 0 HB THR A 102 -1.696 17.149 -11.933 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.369 14.901 -11.749 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.179 14.941 -12.907 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.026 15.457 -11.703 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.190 14.231 -11.275 1.00 0.00 H new ATOM 1609 N PRO A 103 -3.179 15.531 -8.058 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.695 14.384 -7.266 1.00 0.00 C ATOM 1611 C PRO A 103 -4.571 13.430 -8.121 1.00 0.00 C ATOM 1612 O PRO A 103 -5.009 12.367 -7.644 1.00 0.00 O ATOM 1613 CB PRO A 103 -4.520 15.089 -6.153 1.00 0.00 C ATOM 1614 CG PRO A 103 -5.010 16.354 -6.791 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.913 16.796 -7.739 1.00 0.00 C ATOM 0 HA PRO A 103 -2.906 13.740 -6.878 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.350 14.466 -5.819 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.906 15.299 -5.277 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.944 16.184 -7.327 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.208 17.119 -6.040 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.324 17.257 -8.637 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.257 17.532 -7.275 1.00 0.00 H new ATOM 1623 N PHE A 104 -4.814 13.823 -9.393 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.728 13.122 -10.309 1.00 0.00 C ATOM 1625 C PHE A 104 -4.953 12.555 -11.507 1.00 0.00 C ATOM 1626 O PHE A 104 -4.061 13.209 -12.048 1.00 0.00 O ATOM 1627 CB PHE A 104 -6.835 14.092 -10.808 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.551 14.852 -9.691 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -8.045 14.181 -8.570 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -7.703 16.236 -9.750 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -8.671 14.869 -7.551 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -8.328 16.924 -8.730 1.00 0.00 C ATOM 1633 CZ PHE A 104 -8.812 16.242 -7.629 1.00 0.00 C ATOM 0 H PHE A 104 -4.375 14.643 -9.811 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.194 12.298 -9.769 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.389 14.812 -11.495 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.572 13.524 -11.376 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.935 13.109 -8.500 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.327 16.777 -10.605 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -9.051 14.335 -6.693 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.439 17.996 -8.792 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.300 16.781 -6.831 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.299 11.323 -11.907 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.740 10.685 -13.118 1.00 0.00 C ATOM 1645 C CYS A 105 -5.335 11.350 -14.374 1.00 0.00 C ATOM 1646 O CYS A 105 -6.304 12.101 -14.253 1.00 0.00 O ATOM 1647 CB CYS A 105 -5.055 9.171 -13.107 1.00 0.00 C ATOM 1648 SG CYS A 105 -6.812 8.776 -13.324 1.00 0.00 S ATOM 0 H CYS A 105 -5.970 10.740 -11.407 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.658 10.815 -13.130 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.485 8.687 -13.900 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.713 8.747 -12.163 1.00 0.00 H new ATOM 0 HG CYS A 105 -6.936 7.531 -13.678 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.770 11.051 -15.562 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.235 11.606 -16.864 1.00 0.00 C ATOM 1655 C GLN A 106 -6.755 11.383 -17.077 1.00 0.00 C ATOM 1656 O GLN A 106 -7.450 12.260 -17.599 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.427 10.965 -18.031 1.00 0.00 C ATOM 1658 CG GLN A 106 -4.826 11.451 -19.444 1.00 0.00 C ATOM 1659 CD GLN A 106 -4.153 10.663 -20.574 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -4.678 9.652 -21.041 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -2.996 11.118 -21.023 1.00 0.00 N ATOM 0 H GLN A 106 -3.976 10.417 -15.653 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.062 12.682 -16.849 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.368 11.172 -17.877 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.550 9.883 -17.987 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.908 11.376 -19.554 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.568 12.505 -19.543 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.586 11.959 -20.616 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.513 10.629 -21.777 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.232 10.203 -16.631 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.664 9.815 -16.666 1.00 0.00 C ATOM 1672 C GLU A 107 -9.535 10.877 -15.949 1.00 0.00 C ATOM 1673 O GLU A 107 -10.489 11.420 -16.513 1.00 0.00 O ATOM 1674 CB GLU A 107 -8.859 8.448 -15.946 1.00 0.00 C ATOM 1675 CG GLU A 107 -7.925 7.307 -16.397 1.00 0.00 C ATOM 1676 CD GLU A 107 -8.010 6.082 -15.462 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -8.864 5.195 -15.691 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -7.253 6.022 -14.467 1.00 0.00 O ATOM 0 H GLU A 107 -6.631 9.483 -16.232 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.969 9.739 -17.710 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.722 8.601 -14.875 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.890 8.126 -16.093 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.185 7.006 -17.412 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.898 7.670 -16.425 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.142 11.169 -14.694 1.00 0.00 N ATOM 1686 CA CYS A 108 -9.861 12.098 -13.808 1.00 0.00 C ATOM 1687 C CYS A 108 -9.696 13.554 -14.274 1.00 0.00 C ATOM 1688 O CYS A 108 -10.634 14.323 -14.217 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.374 11.945 -12.354 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.788 10.354 -11.587 1.00 0.00 S ATOM 0 H CYS A 108 -8.310 10.763 -14.266 1.00 0.00 H new ATOM 0 HA CYS A 108 -10.921 11.847 -13.853 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.292 12.075 -12.331 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.804 12.747 -11.754 1.00 0.00 H new ATOM 0 HG CYS A 108 -8.773 9.929 -10.895 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.492 13.908 -14.748 1.00 0.00 N ATOM 1696 CA ALA A 109 -8.196 15.249 -15.294 1.00 0.00 C ATOM 1697 C ALA A 109 -9.009 15.521 -16.583 1.00 0.00 C ATOM 1698 O ALA A 109 -9.209 16.676 -16.965 1.00 0.00 O ATOM 1699 CB ALA A 109 -6.687 15.391 -15.538 1.00 0.00 C ATOM 0 H ALA A 109 -7.693 13.275 -14.765 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.498 15.999 -14.564 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -6.475 16.382 -15.940 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.152 15.260 -14.597 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.361 14.633 -16.250 1.00 0.00 H new ATOM 1705 N ALA A 110 -9.470 14.439 -17.243 1.00 0.00 N ATOM 1706 CA ALA A 110 -10.393 14.518 -18.393 1.00 0.00 C ATOM 1707 C ALA A 110 -11.861 14.603 -17.928 1.00 0.00 C ATOM 1708 O ALA A 110 -12.690 15.225 -18.598 1.00 0.00 O ATOM 1709 CB ALA A 110 -10.188 13.302 -19.313 1.00 0.00 C ATOM 0 H ALA A 110 -9.212 13.484 -16.993 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.170 15.428 -18.950 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.872 13.367 -20.159 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.161 13.290 -19.677 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.386 12.387 -18.756 1.00 0.00 H new ATOM 1715 N ALA A 111 -12.165 13.971 -16.775 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.536 13.885 -16.228 1.00 0.00 C ATOM 1717 C ALA A 111 -13.561 14.226 -14.723 1.00 0.00 C ATOM 1718 O ALA A 111 -13.484 13.336 -13.869 1.00 0.00 O ATOM 1719 CB ALA A 111 -14.107 12.481 -16.483 1.00 0.00 C ATOM 0 H ALA A 111 -11.466 13.505 -16.196 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.161 14.619 -16.737 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -15.117 12.420 -16.079 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -14.133 12.288 -17.555 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -13.476 11.738 -15.996 1.00 0.00 H new