USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=15 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 174:sc= 2.11 USER MOD Set 1.2: A 87 CYS SG : rot -57:sc= 0.636 USER MOD Set 1.3: A 105 CYS SG : rot -120:sc= 0.354 USER MOD Set 1.4: A 108 CYS SG : rot 146:sc= 0.547 USER MOD Set 2.1: A 80 THR OG1 : rot -47:sc= 0.477 USER MOD Set 2.2: A 83 THR OG1 : rot 98:sc= 0.0932 USER MOD Single : A 8 ASN : amide:sc= -0.631 K(o=-0.63,f=-2.1) USER MOD Single : A 11 SER OG : rot -25:sc= 0.272 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.315 X(o=-0.31,f=-0.027) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.0507 X(o=-0.051,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 63 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.4) USER MOD Single : A 78 SER OG : rot -31:sc= 0.165 USER MOD Single : A 86 LYS NZ :NH3+ -168:sc= -0.0377 (180deg=-0.186) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 166:sc= 0.739 (180deg=0.591) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -100:sc= 1.14 USER MOD Single : A 106 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 96 N ASN A 8 12.153 9.668 -11.793 1.00 0.00 N ATOM 97 CA ASN A 8 12.816 10.201 -10.607 1.00 0.00 C ATOM 98 C ASN A 8 11.883 11.165 -9.856 1.00 0.00 C ATOM 99 O ASN A 8 11.573 12.252 -10.354 1.00 0.00 O ATOM 100 CB ASN A 8 14.136 10.915 -11.008 1.00 0.00 C ATOM 101 CG ASN A 8 14.982 11.346 -9.809 1.00 0.00 C ATOM 102 OD1 ASN A 8 15.557 12.433 -9.801 1.00 0.00 O ATOM 103 ND2 ASN A 8 15.117 10.475 -8.809 1.00 0.00 N ATOM 0 HA ASN A 8 13.058 9.374 -9.940 1.00 0.00 H new ATOM 0 HB2 ASN A 8 14.725 10.248 -11.637 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.898 11.792 -11.609 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.709 10.703 -8.011 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.628 9.580 -8.842 1.00 0.00 H new ATOM 110 N VAL A 9 11.422 10.740 -8.672 1.00 0.00 N ATOM 111 CA VAL A 9 10.604 11.571 -7.776 1.00 0.00 C ATOM 112 C VAL A 9 11.431 12.763 -7.232 1.00 0.00 C ATOM 113 O VAL A 9 10.878 13.810 -6.945 1.00 0.00 O ATOM 114 CB VAL A 9 10.032 10.723 -6.573 1.00 0.00 C ATOM 115 CG1 VAL A 9 9.130 11.567 -5.649 1.00 0.00 C ATOM 116 CG2 VAL A 9 9.274 9.463 -7.059 1.00 0.00 C ATOM 0 H VAL A 9 11.606 9.806 -8.306 1.00 0.00 H new ATOM 0 HA VAL A 9 9.765 11.955 -8.357 1.00 0.00 H new ATOM 0 HB VAL A 9 10.896 10.395 -5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.758 10.944 -4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.705 12.396 -5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.288 11.958 -6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.898 8.910 -6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.438 9.763 -7.691 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.952 8.828 -7.630 1.00 0.00 H new ATOM 126 N GLU A 10 12.762 12.579 -7.124 1.00 0.00 N ATOM 127 CA GLU A 10 13.694 13.584 -6.559 1.00 0.00 C ATOM 128 C GLU A 10 13.788 14.861 -7.426 1.00 0.00 C ATOM 129 O GLU A 10 13.886 15.972 -6.886 1.00 0.00 O ATOM 130 CB GLU A 10 15.089 12.959 -6.394 1.00 0.00 C ATOM 131 CG GLU A 10 15.132 11.728 -5.477 1.00 0.00 C ATOM 132 CD GLU A 10 16.528 11.093 -5.404 1.00 0.00 C ATOM 133 OE1 GLU A 10 17.395 11.625 -4.680 1.00 0.00 O ATOM 134 OE2 GLU A 10 16.767 10.083 -6.098 1.00 0.00 O ATOM 0 H GLU A 10 13.227 11.724 -7.428 1.00 0.00 H new ATOM 0 HA GLU A 10 13.299 13.885 -5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.465 12.677 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.767 13.715 -5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.815 12.015 -4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.418 10.987 -5.837 1.00 0.00 H new ATOM 141 N SER A 11 13.780 14.695 -8.765 1.00 0.00 N ATOM 142 CA SER A 11 13.738 15.841 -9.701 1.00 0.00 C ATOM 143 C SER A 11 12.409 16.606 -9.538 1.00 0.00 C ATOM 144 O SER A 11 12.386 17.846 -9.527 1.00 0.00 O ATOM 145 CB SER A 11 13.932 15.362 -11.158 1.00 0.00 C ATOM 146 OG SER A 11 12.974 14.381 -11.524 1.00 0.00 O ATOM 0 H SER A 11 13.802 13.783 -9.222 1.00 0.00 H new ATOM 0 HA SER A 11 14.557 16.521 -9.465 1.00 0.00 H new ATOM 0 HB2 SER A 11 13.856 16.214 -11.834 1.00 0.00 H new ATOM 0 HB3 SER A 11 14.935 14.951 -11.275 1.00 0.00 H new ATOM 0 HG SER A 11 12.649 13.925 -10.720 1.00 0.00 H new ATOM 152 N TYR A 12 11.317 15.830 -9.352 1.00 0.00 N ATOM 153 CA TYR A 12 9.969 16.371 -9.115 1.00 0.00 C ATOM 154 C TYR A 12 9.902 17.042 -7.733 1.00 0.00 C ATOM 155 O TYR A 12 9.220 18.034 -7.569 1.00 0.00 O ATOM 156 CB TYR A 12 8.888 15.256 -9.238 1.00 0.00 C ATOM 157 CG TYR A 12 8.836 14.558 -10.611 1.00 0.00 C ATOM 158 CD1 TYR A 12 9.042 15.269 -11.802 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.563 13.191 -10.717 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.990 14.643 -13.027 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.508 12.563 -11.940 1.00 0.00 C ATOM 162 CZ TYR A 12 8.717 13.288 -13.090 1.00 0.00 C ATOM 163 OH TYR A 12 8.653 12.650 -14.304 1.00 0.00 O ATOM 0 H TYR A 12 11.351 14.811 -9.363 1.00 0.00 H new ATOM 0 HA TYR A 12 9.762 17.121 -9.879 1.00 0.00 H new ATOM 0 HB2 TYR A 12 9.072 14.504 -8.470 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.911 15.692 -9.030 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.245 16.329 -11.757 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.392 12.615 -9.819 1.00 0.00 H new ATOM 0 HE1 TYR A 12 9.161 15.206 -13.933 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.301 11.504 -11.997 1.00 0.00 H new ATOM 0 HH TYR A 12 8.453 11.701 -14.165 1.00 0.00 H new ATOM 173 N GLU A 13 10.670 16.506 -6.768 1.00 0.00 N ATOM 174 CA GLU A 13 10.697 16.974 -5.370 1.00 0.00 C ATOM 175 C GLU A 13 11.144 18.449 -5.333 1.00 0.00 C ATOM 176 O GLU A 13 10.385 19.333 -4.939 1.00 0.00 O ATOM 177 CB GLU A 13 11.679 16.068 -4.529 1.00 0.00 C ATOM 178 CG GLU A 13 11.133 15.539 -3.196 1.00 0.00 C ATOM 179 CD GLU A 13 10.763 16.640 -2.192 1.00 0.00 C ATOM 180 OE1 GLU A 13 11.629 17.485 -1.861 1.00 0.00 O ATOM 181 OE2 GLU A 13 9.613 16.666 -1.720 1.00 0.00 O ATOM 0 H GLU A 13 11.300 15.722 -6.940 1.00 0.00 H new ATOM 0 HA GLU A 13 9.701 16.901 -4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.970 15.216 -5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.585 16.640 -4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.251 14.929 -3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.878 14.885 -2.744 1.00 0.00 H new ATOM 188 N LYS A 14 12.359 18.679 -5.858 1.00 0.00 N ATOM 189 CA LYS A 14 13.028 19.989 -5.814 1.00 0.00 C ATOM 190 C LYS A 14 12.298 21.050 -6.667 1.00 0.00 C ATOM 191 O LYS A 14 12.200 22.211 -6.250 1.00 0.00 O ATOM 192 CB LYS A 14 14.513 19.871 -6.260 1.00 0.00 C ATOM 193 CG LYS A 14 14.746 19.294 -7.693 1.00 0.00 C ATOM 194 CD LYS A 14 15.790 20.089 -8.514 1.00 0.00 C ATOM 195 CE LYS A 14 15.337 21.535 -8.813 1.00 0.00 C ATOM 196 NZ LYS A 14 16.364 22.283 -9.581 1.00 0.00 N ATOM 0 H LYS A 14 12.907 17.958 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 14 12.995 20.322 -4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.968 20.860 -6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.039 19.240 -5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.073 18.257 -7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.799 19.288 -8.232 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.733 20.114 -7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.979 19.570 -9.454 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.404 21.515 -9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.133 22.054 -7.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.026 23.249 -9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.247 22.323 -9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.540 21.801 -10.486 1.00 0.00 H new ATOM 210 N ILE A 15 11.793 20.650 -7.862 1.00 0.00 N ATOM 211 CA ILE A 15 11.115 21.593 -8.778 1.00 0.00 C ATOM 212 C ILE A 15 9.792 22.076 -8.147 1.00 0.00 C ATOM 213 O ILE A 15 9.456 23.250 -8.228 1.00 0.00 O ATOM 214 CB ILE A 15 10.879 20.979 -10.225 1.00 0.00 C ATOM 215 CG1 ILE A 15 10.516 22.093 -11.270 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.798 19.871 -10.221 1.00 0.00 C ATOM 217 CD1 ILE A 15 10.325 21.591 -12.699 1.00 0.00 C ATOM 0 H ILE A 15 11.843 19.692 -8.208 1.00 0.00 H new ATOM 0 HA ILE A 15 11.774 22.449 -8.920 1.00 0.00 H new ATOM 0 HB ILE A 15 11.822 20.520 -10.523 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.600 22.589 -10.948 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.304 22.846 -11.266 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.672 19.482 -11.231 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.107 19.064 -9.557 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.853 20.286 -9.872 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.077 22.430 -13.349 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.246 21.122 -13.046 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.515 20.862 -12.723 1.00 0.00 H new ATOM 229 N LEU A 16 9.081 21.158 -7.460 1.00 0.00 N ATOM 230 CA LEU A 16 7.815 21.471 -6.779 1.00 0.00 C ATOM 231 C LEU A 16 8.041 22.415 -5.576 1.00 0.00 C ATOM 232 O LEU A 16 7.237 23.310 -5.341 1.00 0.00 O ATOM 233 CB LEU A 16 7.104 20.170 -6.326 1.00 0.00 C ATOM 234 CG LEU A 16 6.463 19.285 -7.447 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.831 17.993 -6.859 1.00 0.00 C ATOM 236 CD2 LEU A 16 5.437 20.083 -8.267 1.00 0.00 C ATOM 0 H LEU A 16 9.370 20.184 -7.364 1.00 0.00 H new ATOM 0 HA LEU A 16 7.172 21.988 -7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.827 19.560 -5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.321 20.441 -5.618 1.00 0.00 H new ATOM 0 HG LEU A 16 7.263 18.981 -8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.395 17.402 -7.665 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.601 17.408 -6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.053 18.261 -6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.009 19.442 -9.038 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.644 20.439 -7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.929 20.935 -8.736 1.00 0.00 H new ATOM 248 N ARG A 17 9.140 22.199 -4.829 1.00 0.00 N ATOM 249 CA ARG A 17 9.510 23.044 -3.671 1.00 0.00 C ATOM 250 C ARG A 17 9.766 24.497 -4.124 1.00 0.00 C ATOM 251 O ARG A 17 9.219 25.440 -3.552 1.00 0.00 O ATOM 252 CB ARG A 17 10.761 22.461 -2.957 1.00 0.00 C ATOM 253 CG ARG A 17 10.559 21.052 -2.357 1.00 0.00 C ATOM 254 CD ARG A 17 9.656 21.016 -1.117 1.00 0.00 C ATOM 255 NE ARG A 17 9.383 19.623 -0.710 1.00 0.00 N ATOM 256 CZ ARG A 17 8.576 19.241 0.289 1.00 0.00 C ATOM 257 NH1 ARG A 17 7.997 20.122 1.078 1.00 0.00 N ATOM 258 NH2 ARG A 17 8.339 17.958 0.479 1.00 0.00 N ATOM 0 H ARG A 17 9.796 21.438 -5.008 1.00 0.00 H new ATOM 0 HA ARG A 17 8.681 23.049 -2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.585 22.424 -3.669 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.059 23.142 -2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.132 20.402 -3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.533 20.639 -2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.134 21.553 -0.297 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.718 21.529 -1.329 1.00 0.00 H new ATOM 0 HE ARG A 17 9.851 18.885 -1.237 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.159 21.119 0.935 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.386 19.808 1.832 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.769 17.264 -0.132 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.726 17.660 1.237 1.00 0.00 H new ATOM 272 N ASP A 18 10.567 24.650 -5.193 1.00 0.00 N ATOM 273 CA ASP A 18 10.899 25.970 -5.777 1.00 0.00 C ATOM 274 C ASP A 18 9.624 26.673 -6.307 1.00 0.00 C ATOM 275 O ASP A 18 9.429 27.876 -6.091 1.00 0.00 O ATOM 276 CB ASP A 18 11.940 25.794 -6.917 1.00 0.00 C ATOM 277 CG ASP A 18 12.466 27.128 -7.501 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.424 27.704 -6.925 1.00 0.00 O ATOM 279 OD2 ASP A 18 11.932 27.594 -8.535 1.00 0.00 O ATOM 0 H ASP A 18 11.004 23.867 -5.679 1.00 0.00 H new ATOM 0 HA ASP A 18 11.330 26.599 -4.998 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.784 25.217 -6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.489 25.210 -7.720 1.00 0.00 H new ATOM 284 N ARG A 19 8.741 25.878 -6.951 1.00 0.00 N ATOM 285 CA ARG A 19 7.500 26.376 -7.596 1.00 0.00 C ATOM 286 C ARG A 19 6.435 26.795 -6.562 1.00 0.00 C ATOM 287 O ARG A 19 5.740 27.784 -6.775 1.00 0.00 O ATOM 288 CB ARG A 19 6.924 25.320 -8.602 1.00 0.00 C ATOM 289 CG ARG A 19 7.418 25.468 -10.066 1.00 0.00 C ATOM 290 CD ARG A 19 8.944 25.616 -10.183 1.00 0.00 C ATOM 291 NE ARG A 19 9.389 25.630 -11.587 1.00 0.00 N ATOM 292 CZ ARG A 19 10.458 26.288 -12.052 1.00 0.00 C ATOM 293 NH1 ARG A 19 11.175 27.076 -11.261 1.00 0.00 N ATOM 294 NH2 ARG A 19 10.802 26.159 -13.320 1.00 0.00 N ATOM 0 H ARG A 19 8.867 24.870 -7.040 1.00 0.00 H new ATOM 0 HA ARG A 19 7.769 27.270 -8.158 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.184 24.323 -8.246 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.836 25.388 -8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.100 24.597 -10.639 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.940 26.338 -10.517 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.258 26.538 -9.694 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.430 24.794 -9.656 1.00 0.00 H new ATOM 0 HE ARG A 19 8.838 25.095 -12.259 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.915 27.188 -10.281 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.987 27.570 -11.633 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.254 25.561 -13.939 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.615 26.657 -13.681 1.00 0.00 H new ATOM 308 N GLN A 20 6.305 26.054 -5.448 1.00 0.00 N ATOM 309 CA GLN A 20 5.336 26.412 -4.390 1.00 0.00 C ATOM 310 C GLN A 20 5.791 27.703 -3.702 1.00 0.00 C ATOM 311 O GLN A 20 4.968 28.499 -3.290 1.00 0.00 O ATOM 312 CB GLN A 20 5.134 25.278 -3.337 1.00 0.00 C ATOM 313 CG GLN A 20 6.239 25.146 -2.267 1.00 0.00 C ATOM 314 CD GLN A 20 6.032 24.020 -1.252 1.00 0.00 C ATOM 315 OE1 GLN A 20 7.002 23.476 -0.721 1.00 0.00 O ATOM 316 NE2 GLN A 20 4.782 23.652 -0.967 1.00 0.00 N ATOM 0 H GLN A 20 6.850 25.213 -5.255 1.00 0.00 H new ATOM 0 HA GLN A 20 4.369 26.560 -4.870 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.183 25.444 -2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.052 24.328 -3.866 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.193 24.989 -2.770 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.315 26.090 -1.728 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.997 24.119 -1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.611 22.904 -0.295 1.00 0.00 H new ATOM 325 N ARG A 21 7.122 27.891 -3.587 1.00 0.00 N ATOM 326 CA ARG A 21 7.697 29.072 -2.928 1.00 0.00 C ATOM 327 C ARG A 21 7.657 30.311 -3.826 1.00 0.00 C ATOM 328 O ARG A 21 7.541 31.423 -3.305 1.00 0.00 O ATOM 329 CB ARG A 21 9.129 28.784 -2.420 1.00 0.00 C ATOM 330 CG ARG A 21 9.206 27.657 -1.363 1.00 0.00 C ATOM 331 CD ARG A 21 8.201 27.832 -0.210 1.00 0.00 C ATOM 332 NE ARG A 21 8.416 26.834 0.846 1.00 0.00 N ATOM 333 CZ ARG A 21 7.481 26.328 1.659 1.00 0.00 C ATOM 334 NH1 ARG A 21 6.197 26.546 1.454 1.00 0.00 N ATOM 335 NH2 ARG A 21 7.847 25.575 2.669 1.00 0.00 N ATOM 0 H ARG A 21 7.817 27.235 -3.945 1.00 0.00 H new ATOM 0 HA ARG A 21 7.074 29.293 -2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.758 28.516 -3.269 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.543 29.698 -1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.026 26.699 -1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.215 27.621 -0.953 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.297 28.834 0.209 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.185 27.743 -0.595 1.00 0.00 H new ATOM 0 HE ARG A 21 9.369 26.494 0.972 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.896 27.112 0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.505 26.149 2.089 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.836 25.381 2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.143 25.184 3.295 1.00 0.00 H new ATOM 349 N GLU A 22 7.737 30.127 -5.168 1.00 0.00 N ATOM 350 CA GLU A 22 7.590 31.256 -6.119 1.00 0.00 C ATOM 351 C GLU A 22 6.121 31.735 -6.117 1.00 0.00 C ATOM 352 O GLU A 22 5.842 32.928 -6.249 1.00 0.00 O ATOM 353 CB GLU A 22 8.073 30.913 -7.567 1.00 0.00 C ATOM 354 CG GLU A 22 7.115 30.055 -8.422 1.00 0.00 C ATOM 355 CD GLU A 22 7.427 30.099 -9.928 1.00 0.00 C ATOM 356 OE1 GLU A 22 6.992 31.071 -10.594 1.00 0.00 O ATOM 357 OE2 GLU A 22 8.102 29.179 -10.446 1.00 0.00 O ATOM 0 H GLU A 22 7.900 29.222 -5.610 1.00 0.00 H new ATOM 0 HA GLU A 22 8.242 32.061 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.260 31.848 -8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.027 30.391 -7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.163 29.021 -8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.093 30.397 -8.261 1.00 0.00 H new ATOM 364 N LEU A 23 5.196 30.777 -5.927 1.00 0.00 N ATOM 365 CA LEU A 23 3.769 31.064 -5.732 1.00 0.00 C ATOM 366 C LEU A 23 3.540 31.742 -4.373 1.00 0.00 C ATOM 367 O LEU A 23 2.879 32.763 -4.322 1.00 0.00 O ATOM 368 CB LEU A 23 2.924 29.770 -5.838 1.00 0.00 C ATOM 369 CG LEU A 23 2.866 29.084 -7.239 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.224 27.681 -7.143 1.00 0.00 C ATOM 371 CD2 LEU A 23 2.124 29.969 -8.266 1.00 0.00 C ATOM 0 H LEU A 23 5.420 29.782 -5.905 1.00 0.00 H new ATOM 0 HA LEU A 23 3.449 31.744 -6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.316 29.048 -5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.905 30.003 -5.531 1.00 0.00 H new ATOM 0 HG LEU A 23 3.890 28.959 -7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.196 27.225 -8.133 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.814 27.056 -6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.209 27.771 -6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.100 29.464 -9.232 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.104 30.146 -7.924 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.643 30.922 -8.368 1.00 0.00 H new ATOM 383 N TYR A 24 4.138 31.180 -3.295 1.00 0.00 N ATOM 384 CA TYR A 24 3.946 31.654 -1.899 1.00 0.00 C ATOM 385 C TYR A 24 4.321 33.141 -1.761 1.00 0.00 C ATOM 386 O TYR A 24 3.572 33.904 -1.179 1.00 0.00 O ATOM 387 CB TYR A 24 4.747 30.785 -0.858 1.00 0.00 C ATOM 388 CG TYR A 24 3.910 29.736 -0.093 1.00 0.00 C ATOM 389 CD1 TYR A 24 2.913 30.128 0.813 1.00 0.00 C ATOM 390 CD2 TYR A 24 4.117 28.364 -0.263 1.00 0.00 C ATOM 391 CE1 TYR A 24 2.168 29.191 1.511 1.00 0.00 C ATOM 392 CE2 TYR A 24 3.372 27.428 0.432 1.00 0.00 C ATOM 393 CZ TYR A 24 2.396 27.845 1.313 1.00 0.00 C ATOM 394 OH TYR A 24 1.658 26.908 2.005 1.00 0.00 O ATOM 0 H TYR A 24 4.770 30.382 -3.367 1.00 0.00 H new ATOM 0 HA TYR A 24 2.886 31.540 -1.672 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.553 30.271 -1.382 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.213 31.453 -0.133 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.723 31.180 0.969 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.876 28.027 -0.953 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.410 29.514 2.209 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.554 26.374 0.285 1.00 0.00 H new ATOM 0 HH TYR A 24 1.946 26.008 1.746 1.00 0.00 H new ATOM 404 N ARG A 25 5.480 33.523 -2.319 1.00 0.00 N ATOM 405 CA ARG A 25 5.951 34.927 -2.317 1.00 0.00 C ATOM 406 C ARG A 25 5.051 35.817 -3.212 1.00 0.00 C ATOM 407 O ARG A 25 4.796 36.972 -2.878 1.00 0.00 O ATOM 408 CB ARG A 25 7.434 35.011 -2.778 1.00 0.00 C ATOM 409 CG ARG A 25 7.683 34.467 -4.202 1.00 0.00 C ATOM 410 CD ARG A 25 9.112 34.661 -4.718 1.00 0.00 C ATOM 411 NE ARG A 25 10.143 34.129 -3.807 1.00 0.00 N ATOM 412 CZ ARG A 25 11.425 33.912 -4.148 1.00 0.00 C ATOM 413 NH1 ARG A 25 11.829 34.061 -5.402 1.00 0.00 N ATOM 414 NH2 ARG A 25 12.296 33.525 -3.236 1.00 0.00 N ATOM 0 H ARG A 25 6.118 32.876 -2.783 1.00 0.00 H new ATOM 0 HA ARG A 25 5.887 35.301 -1.295 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.758 36.051 -2.736 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.054 34.455 -2.075 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.447 33.403 -4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.993 34.956 -4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.209 34.174 -5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.292 35.724 -4.876 1.00 0.00 H new ATOM 0 HE ARG A 25 9.863 33.910 -2.851 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.164 34.344 -6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.805 33.893 -5.647 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.997 33.390 -2.270 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.268 33.361 -3.497 1.00 0.00 H new ATOM 428 N ARG A 26 4.586 35.246 -4.348 1.00 0.00 N ATOM 429 CA ARG A 26 3.717 35.937 -5.327 1.00 0.00 C ATOM 430 C ARG A 26 2.354 36.344 -4.723 1.00 0.00 C ATOM 431 O ARG A 26 1.879 37.456 -4.962 1.00 0.00 O ATOM 432 CB ARG A 26 3.527 35.009 -6.558 1.00 0.00 C ATOM 433 CG ARG A 26 2.485 35.453 -7.606 1.00 0.00 C ATOM 434 CD ARG A 26 2.417 34.489 -8.805 1.00 0.00 C ATOM 435 NE ARG A 26 3.655 34.522 -9.623 1.00 0.00 N ATOM 436 CZ ARG A 26 4.475 33.483 -9.869 1.00 0.00 C ATOM 437 NH1 ARG A 26 4.335 32.322 -9.242 1.00 0.00 N ATOM 438 NH2 ARG A 26 5.465 33.628 -10.729 1.00 0.00 N ATOM 0 H ARG A 26 4.806 34.286 -4.612 1.00 0.00 H new ATOM 0 HA ARG A 26 4.201 36.866 -5.628 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.490 34.906 -7.058 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.247 34.019 -6.198 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.503 35.515 -7.136 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.733 36.454 -7.960 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.249 33.474 -8.444 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.563 34.750 -9.431 1.00 0.00 H new ATOM 0 HE ARG A 26 3.909 35.418 -10.039 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.592 32.200 -8.554 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.971 31.551 -9.448 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.604 34.522 -11.201 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.092 32.847 -10.922 1.00 0.00 H new ATOM 452 N LEU A 27 1.725 35.441 -3.939 1.00 0.00 N ATOM 453 CA LEU A 27 0.389 35.694 -3.343 1.00 0.00 C ATOM 454 C LEU A 27 0.497 36.255 -1.908 1.00 0.00 C ATOM 455 O LEU A 27 -0.476 36.804 -1.382 1.00 0.00 O ATOM 456 CB LEU A 27 -0.537 34.434 -3.449 1.00 0.00 C ATOM 457 CG LEU A 27 0.071 33.024 -3.118 1.00 0.00 C ATOM 458 CD1 LEU A 27 0.402 32.823 -1.623 1.00 0.00 C ATOM 459 CD2 LEU A 27 -0.838 31.893 -3.639 1.00 0.00 C ATOM 0 H LEU A 27 2.119 34.530 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.095 36.474 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.388 34.592 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.928 34.395 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 27 1.025 32.982 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.817 31.827 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.130 33.571 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.507 32.930 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.393 30.928 -3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.819 31.969 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.946 31.981 -4.720 1.00 0.00 H new ATOM 471 N HIS A 28 1.689 36.131 -1.287 1.00 0.00 N ATOM 472 CA HIS A 28 2.025 36.824 -0.012 1.00 0.00 C ATOM 473 C HIS A 28 2.934 38.031 -0.309 1.00 0.00 C ATOM 474 O HIS A 28 3.705 38.441 0.535 1.00 0.00 O ATOM 475 CB HIS A 28 2.688 35.844 1.016 1.00 0.00 C ATOM 476 CG HIS A 28 1.721 35.001 1.803 1.00 0.00 C ATOM 477 ND1 HIS A 28 1.989 34.534 3.070 1.00 0.00 N ATOM 478 CD2 HIS A 28 0.479 34.571 1.512 1.00 0.00 C ATOM 479 CE1 HIS A 28 0.952 33.862 3.513 1.00 0.00 C ATOM 480 NE2 HIS A 28 0.025 33.865 2.586 1.00 0.00 N ATOM 0 H HIS A 28 2.447 35.552 -1.648 1.00 0.00 H new ATOM 0 HA HIS A 28 1.104 37.183 0.447 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.369 35.184 0.479 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.291 36.426 1.713 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.060 34.753 0.594 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.875 33.386 4.480 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -0.887 33.413 2.657 1.00 0.00 H new ATOM 932 N LEU A 58 -4.797 36.030 -1.867 1.00 0.00 N ATOM 933 CA LEU A 58 -4.183 35.032 -2.760 1.00 0.00 C ATOM 934 C LEU A 58 -4.991 34.925 -4.066 1.00 0.00 C ATOM 935 O LEU A 58 -6.221 35.068 -4.044 1.00 0.00 O ATOM 936 CB LEU A 58 -4.097 33.629 -2.086 1.00 0.00 C ATOM 937 CG LEU A 58 -3.660 33.552 -0.585 1.00 0.00 C ATOM 938 CD1 LEU A 58 -3.261 32.108 -0.187 1.00 0.00 C ATOM 939 CD2 LEU A 58 -2.548 34.561 -0.230 1.00 0.00 C ATOM 0 HA LEU A 58 -3.169 35.366 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.077 33.159 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.401 33.024 -2.666 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.532 33.837 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.963 32.089 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.111 31.442 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.428 31.777 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.288 34.460 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.668 34.363 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.902 35.574 -0.421 1.00 0.00 H new ATOM 951 N GLY A 59 -4.287 34.682 -5.190 1.00 0.00 N ATOM 952 CA GLY A 59 -4.936 34.407 -6.475 1.00 0.00 C ATOM 953 C GLY A 59 -5.424 32.965 -6.555 1.00 0.00 C ATOM 954 O GLY A 59 -4.821 32.090 -5.933 1.00 0.00 O ATOM 0 H GLY A 59 -3.268 34.672 -5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.778 35.086 -6.612 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.235 34.601 -7.287 1.00 0.00 H new ATOM 958 N GLN A 60 -6.500 32.717 -7.333 1.00 0.00 N ATOM 959 CA GLN A 60 -7.132 31.385 -7.442 1.00 0.00 C ATOM 960 C GLN A 60 -6.161 30.343 -8.030 1.00 0.00 C ATOM 961 O GLN A 60 -5.961 29.284 -7.436 1.00 0.00 O ATOM 962 CB GLN A 60 -8.439 31.451 -8.280 1.00 0.00 C ATOM 963 CG GLN A 60 -9.184 30.100 -8.397 1.00 0.00 C ATOM 964 CD GLN A 60 -10.539 30.183 -9.107 1.00 0.00 C ATOM 965 OE1 GLN A 60 -10.758 31.019 -9.979 1.00 0.00 O ATOM 966 NE2 GLN A 60 -11.462 29.310 -8.737 1.00 0.00 N ATOM 0 H GLN A 60 -6.953 33.432 -7.901 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.390 31.066 -6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.109 32.185 -7.832 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -8.198 31.809 -9.281 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.549 29.394 -8.933 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.336 29.695 -7.396 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.254 28.626 -8.010 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.381 29.321 -9.179 1.00 0.00 H new ATOM 975 N VAL A 61 -5.554 30.678 -9.183 1.00 0.00 N ATOM 976 CA VAL A 61 -4.526 29.837 -9.846 1.00 0.00 C ATOM 977 C VAL A 61 -3.295 29.636 -8.934 1.00 0.00 C ATOM 978 O VAL A 61 -2.660 28.577 -8.972 1.00 0.00 O ATOM 979 CB VAL A 61 -4.104 30.465 -11.231 1.00 0.00 C ATOM 980 CG1 VAL A 61 -3.514 31.893 -11.072 1.00 0.00 C ATOM 981 CG2 VAL A 61 -3.137 29.533 -12.007 1.00 0.00 C ATOM 0 H VAL A 61 -5.759 31.541 -9.687 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.963 28.856 -10.033 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.013 30.563 -11.824 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.238 32.284 -12.051 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.259 32.546 -10.617 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.630 31.853 -10.435 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.867 29.997 -12.956 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.237 29.368 -11.415 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.626 28.578 -12.197 1.00 0.00 H new ATOM 991 N GLY A 62 -2.996 30.666 -8.115 1.00 0.00 N ATOM 992 CA GLY A 62 -1.929 30.604 -7.128 1.00 0.00 C ATOM 993 C GLY A 62 -2.173 29.494 -6.113 1.00 0.00 C ATOM 994 O GLY A 62 -1.359 28.594 -6.002 1.00 0.00 O ATOM 0 H GLY A 62 -3.494 31.556 -8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.976 30.437 -7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.853 31.561 -6.612 1.00 0.00 H new ATOM 998 N GLN A 63 -3.345 29.559 -5.434 1.00 0.00 N ATOM 999 CA GLN A 63 -3.771 28.590 -4.385 1.00 0.00 C ATOM 1000 C GLN A 63 -3.944 27.179 -4.961 1.00 0.00 C ATOM 1001 O GLN A 63 -3.630 26.190 -4.312 1.00 0.00 O ATOM 1002 CB GLN A 63 -5.132 29.011 -3.788 1.00 0.00 C ATOM 1003 CG GLN A 63 -5.187 30.395 -3.132 1.00 0.00 C ATOM 1004 CD GLN A 63 -6.618 30.836 -2.801 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -7.565 30.482 -3.496 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -6.788 31.602 -1.744 1.00 0.00 N ATOM 0 H GLN A 63 -4.032 30.294 -5.599 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.992 28.587 -3.623 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.878 28.979 -4.582 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.424 28.269 -3.045 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.594 30.383 -2.217 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.730 31.127 -3.798 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.984 31.882 -1.183 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.724 31.915 -1.486 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.490 27.133 -6.183 1.00 0.00 N ATOM 1016 CA ASP A 64 -4.835 25.884 -6.895 1.00 0.00 C ATOM 1017 C ASP A 64 -3.577 25.070 -7.137 1.00 0.00 C ATOM 1018 O ASP A 64 -3.496 23.898 -6.767 1.00 0.00 O ATOM 1019 CB ASP A 64 -5.535 26.216 -8.245 1.00 0.00 C ATOM 1020 CG ASP A 64 -5.678 25.013 -9.207 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -6.517 24.121 -8.943 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -4.942 24.950 -10.220 1.00 0.00 O ATOM 0 H ASP A 64 -4.710 27.973 -6.718 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.522 25.299 -6.284 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.527 26.618 -8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.972 27.002 -8.748 1.00 0.00 H new ATOM 1027 N GLU A 65 -2.602 25.745 -7.748 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.312 25.161 -8.089 1.00 0.00 C ATOM 1029 C GLU A 65 -0.491 24.919 -6.807 1.00 0.00 C ATOM 1030 O GLU A 65 0.210 23.932 -6.717 1.00 0.00 O ATOM 1031 CB GLU A 65 -0.580 26.102 -9.084 1.00 0.00 C ATOM 1032 CG GLU A 65 0.572 25.442 -9.864 1.00 0.00 C ATOM 1033 CD GLU A 65 1.181 26.352 -10.948 1.00 0.00 C ATOM 1034 OE1 GLU A 65 0.591 26.452 -12.052 1.00 0.00 O ATOM 1035 OE2 GLU A 65 2.238 26.979 -10.705 1.00 0.00 O ATOM 0 H GLU A 65 -2.691 26.724 -8.021 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.447 24.194 -8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.307 26.491 -9.797 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.185 26.955 -8.533 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.355 25.151 -9.163 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.207 24.528 -10.332 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.652 25.816 -5.813 1.00 0.00 N ATOM 1043 CA LEU A 66 0.076 25.783 -4.517 1.00 0.00 C ATOM 1044 C LEU A 66 -0.221 24.488 -3.753 1.00 0.00 C ATOM 1045 O LEU A 66 0.683 23.769 -3.344 1.00 0.00 O ATOM 1046 CB LEU A 66 -0.379 26.986 -3.636 1.00 0.00 C ATOM 1047 CG LEU A 66 0.555 27.418 -2.477 1.00 0.00 C ATOM 1048 CD1 LEU A 66 1.927 27.815 -3.018 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -0.083 28.573 -1.665 1.00 0.00 C ATOM 0 H LEU A 66 -1.302 26.599 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 66 1.144 25.839 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.523 27.846 -4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.352 26.742 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 66 0.690 26.571 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.571 28.116 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.374 26.966 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.817 28.647 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.587 28.862 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.252 29.428 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.034 28.242 -1.247 1.00 0.00 H new ATOM 1061 N ARG A 67 -1.529 24.249 -3.584 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.088 23.153 -2.780 1.00 0.00 C ATOM 1063 C ARG A 67 -1.965 21.828 -3.536 1.00 0.00 C ATOM 1064 O ARG A 67 -1.846 20.776 -2.919 1.00 0.00 O ATOM 1065 CB ARG A 67 -3.566 23.489 -2.449 1.00 0.00 C ATOM 1066 CG ARG A 67 -4.303 22.497 -1.520 1.00 0.00 C ATOM 1067 CD ARG A 67 -5.743 22.949 -1.231 1.00 0.00 C ATOM 1068 NE ARG A 67 -6.462 22.019 -0.348 1.00 0.00 N ATOM 1069 CZ ARG A 67 -7.754 22.126 -0.003 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -8.508 23.117 -0.474 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -8.291 21.237 0.815 1.00 0.00 N ATOM 0 H ARG A 67 -2.248 24.830 -4.015 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.534 23.044 -1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.597 24.477 -1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.120 23.556 -3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.318 21.509 -1.981 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.756 22.403 -0.582 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.724 23.938 -0.773 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.286 23.044 -2.172 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.938 21.231 0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.105 23.808 -1.106 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.489 23.185 -0.202 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.723 20.473 1.182 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.273 21.315 1.080 1.00 0.00 H new ATOM 1085 N ALA A 68 -1.999 21.904 -4.885 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.746 20.745 -5.767 1.00 0.00 C ATOM 1087 C ALA A 68 -0.295 20.254 -5.600 1.00 0.00 C ATOM 1088 O ALA A 68 -0.041 19.055 -5.445 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.028 21.118 -7.234 1.00 0.00 C ATOM 0 H ALA A 68 -2.202 22.767 -5.390 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.418 19.935 -5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.837 20.255 -7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.069 21.423 -7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.377 21.940 -7.532 1.00 0.00 H new ATOM 1095 N ILE A 69 0.637 21.224 -5.629 1.00 0.00 N ATOM 1096 CA ILE A 69 2.075 21.002 -5.394 1.00 0.00 C ATOM 1097 C ILE A 69 2.316 20.473 -3.975 1.00 0.00 C ATOM 1098 O ILE A 69 3.013 19.484 -3.793 1.00 0.00 O ATOM 1099 CB ILE A 69 2.906 22.336 -5.621 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.961 22.735 -7.135 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.332 22.225 -5.050 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.606 24.082 -7.432 1.00 0.00 C ATOM 0 H ILE A 69 0.408 22.200 -5.819 1.00 0.00 H new ATOM 0 HA ILE A 69 2.416 20.257 -6.113 1.00 0.00 H new ATOM 0 HB ILE A 69 2.382 23.123 -5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.506 21.963 -7.677 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.944 22.743 -7.528 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.868 23.158 -5.225 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.281 22.032 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.858 21.407 -5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.594 24.262 -8.507 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.050 24.871 -6.925 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.636 24.078 -7.077 1.00 0.00 H new ATOM 1114 N ASP A 70 1.700 21.137 -2.989 1.00 0.00 N ATOM 1115 CA ASP A 70 1.945 20.875 -1.558 1.00 0.00 C ATOM 1116 C ASP A 70 1.393 19.493 -1.164 1.00 0.00 C ATOM 1117 O ASP A 70 1.975 18.804 -0.320 1.00 0.00 O ATOM 1118 CB ASP A 70 1.310 22.006 -0.705 1.00 0.00 C ATOM 1119 CG ASP A 70 1.790 22.016 0.759 1.00 0.00 C ATOM 1120 OD1 ASP A 70 2.870 22.580 1.032 1.00 0.00 O ATOM 1121 OD2 ASP A 70 1.093 21.468 1.640 1.00 0.00 O ATOM 0 H ASP A 70 1.015 21.874 -3.158 1.00 0.00 H new ATOM 0 HA ASP A 70 3.018 20.865 -1.369 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.542 22.968 -1.162 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.226 21.898 -0.723 1.00 0.00 H new ATOM 1126 N ALA A 71 0.280 19.096 -1.816 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.327 17.764 -1.647 1.00 0.00 C ATOM 1128 C ALA A 71 0.576 16.692 -2.276 1.00 0.00 C ATOM 1129 O ALA A 71 0.776 15.637 -1.685 1.00 0.00 O ATOM 1130 CB ALA A 71 -1.736 17.715 -2.265 1.00 0.00 C ATOM 0 H ALA A 71 -0.221 19.692 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.424 17.563 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.160 16.721 -2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.373 18.453 -1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.674 17.937 -3.330 1.00 0.00 H new ATOM 1136 N ALA A 72 1.135 17.007 -3.467 1.00 0.00 N ATOM 1137 CA ALA A 72 2.067 16.115 -4.195 1.00 0.00 C ATOM 1138 C ALA A 72 3.340 15.852 -3.365 1.00 0.00 C ATOM 1139 O ALA A 72 3.806 14.720 -3.288 1.00 0.00 O ATOM 1140 CB ALA A 72 2.425 16.712 -5.566 1.00 0.00 C ATOM 0 H ALA A 72 0.953 17.887 -3.950 1.00 0.00 H new ATOM 0 HA ALA A 72 1.567 15.160 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.110 16.043 -6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.518 16.834 -6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.901 17.683 -5.427 1.00 0.00 H new ATOM 1146 N LEU A 73 3.844 16.920 -2.722 1.00 0.00 N ATOM 1147 CA LEU A 73 5.031 16.888 -1.835 1.00 0.00 C ATOM 1148 C LEU A 73 4.753 16.093 -0.549 1.00 0.00 C ATOM 1149 O LEU A 73 5.627 15.379 -0.045 1.00 0.00 O ATOM 1150 CB LEU A 73 5.446 18.338 -1.489 1.00 0.00 C ATOM 1151 CG LEU A 73 6.014 19.170 -2.677 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.184 20.649 -2.292 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.339 18.566 -3.191 1.00 0.00 C ATOM 0 H LEU A 73 3.433 17.850 -2.803 1.00 0.00 H new ATOM 0 HA LEU A 73 5.843 16.386 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.579 18.860 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.196 18.305 -0.699 1.00 0.00 H new ATOM 0 HG LEU A 73 5.291 19.126 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.582 21.203 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.217 21.065 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.874 20.729 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.715 19.165 -4.020 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.073 18.561 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.166 17.545 -3.531 1.00 0.00 H new ATOM 1165 N ALA A 74 3.522 16.249 -0.029 1.00 0.00 N ATOM 1166 CA ALA A 74 3.028 15.498 1.142 1.00 0.00 C ATOM 1167 C ALA A 74 2.911 13.999 0.817 1.00 0.00 C ATOM 1168 O ALA A 74 3.097 13.152 1.690 1.00 0.00 O ATOM 1169 CB ALA A 74 1.672 16.060 1.603 1.00 0.00 C ATOM 0 H ALA A 74 2.838 16.902 -0.410 1.00 0.00 H new ATOM 0 HA ALA A 74 3.746 15.614 1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.320 15.497 2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.787 17.109 1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.948 15.973 0.793 1.00 0.00 H new ATOM 1175 N ARG A 75 2.606 13.703 -0.463 1.00 0.00 N ATOM 1176 CA ARG A 75 2.529 12.330 -0.989 1.00 0.00 C ATOM 1177 C ARG A 75 3.933 11.733 -1.187 1.00 0.00 C ATOM 1178 O ARG A 75 4.114 10.538 -1.004 1.00 0.00 O ATOM 1179 CB ARG A 75 1.717 12.293 -2.314 1.00 0.00 C ATOM 1180 CG ARG A 75 0.211 12.577 -2.143 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.547 12.604 -3.476 1.00 0.00 C ATOM 1182 NE ARG A 75 -1.976 12.935 -3.304 1.00 0.00 N ATOM 1183 CZ ARG A 75 -2.916 12.756 -4.244 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -2.603 12.217 -5.410 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -4.167 13.121 -4.022 1.00 0.00 N ATOM 0 H ARG A 75 2.405 14.417 -1.163 1.00 0.00 H new ATOM 0 HA ARG A 75 2.008 11.717 -0.254 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.137 13.025 -3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.840 11.313 -2.775 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.226 11.815 -1.498 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.082 13.534 -1.638 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.085 13.335 -4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.458 11.632 -3.961 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.268 13.327 -2.409 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.641 11.934 -5.599 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.323 12.084 -6.120 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.424 13.543 -3.130 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.875 12.981 -4.743 1.00 0.00 H new ATOM 1199 N ILE A 76 4.924 12.570 -1.554 1.00 0.00 N ATOM 1200 CA ILE A 76 6.340 12.124 -1.648 1.00 0.00 C ATOM 1201 C ILE A 76 6.831 11.697 -0.250 1.00 0.00 C ATOM 1202 O ILE A 76 7.477 10.659 -0.093 1.00 0.00 O ATOM 1203 CB ILE A 76 7.294 13.243 -2.234 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.792 13.708 -3.635 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.757 12.730 -2.318 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.514 14.894 -4.250 1.00 0.00 C ATOM 0 H ILE A 76 4.778 13.552 -1.790 1.00 0.00 H new ATOM 0 HA ILE A 76 6.376 11.282 -2.340 1.00 0.00 H new ATOM 0 HB ILE A 76 7.274 14.099 -1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.870 12.866 -4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.734 13.956 -3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.395 13.515 -2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.105 12.458 -1.321 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.799 11.856 -2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.076 15.123 -5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.416 15.760 -3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.569 14.652 -4.376 1.00 0.00 H new ATOM 1218 N ALA A 77 6.467 12.515 0.752 1.00 0.00 N ATOM 1219 CA ALA A 77 6.750 12.253 2.170 1.00 0.00 C ATOM 1220 C ALA A 77 6.044 10.967 2.651 1.00 0.00 C ATOM 1221 O ALA A 77 6.633 10.155 3.361 1.00 0.00 O ATOM 1222 CB ALA A 77 6.308 13.462 3.013 1.00 0.00 C ATOM 0 H ALA A 77 5.962 13.387 0.596 1.00 0.00 H new ATOM 0 HA ALA A 77 7.823 12.103 2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.518 13.268 4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.854 14.349 2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.239 13.627 2.881 1.00 0.00 H new ATOM 1228 N SER A 78 4.787 10.785 2.205 1.00 0.00 N ATOM 1229 CA SER A 78 3.915 9.676 2.635 1.00 0.00 C ATOM 1230 C SER A 78 4.191 8.375 1.839 1.00 0.00 C ATOM 1231 O SER A 78 3.632 7.323 2.166 1.00 0.00 O ATOM 1232 CB SER A 78 2.434 10.107 2.496 1.00 0.00 C ATOM 1233 OG SER A 78 1.532 9.136 3.009 1.00 0.00 O ATOM 0 H SER A 78 4.344 11.409 1.530 1.00 0.00 H new ATOM 0 HA SER A 78 4.133 9.453 3.679 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.283 11.051 3.020 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.209 10.287 1.445 1.00 0.00 H new ATOM 0 HG SER A 78 1.918 8.242 2.901 1.00 0.00 H new ATOM 1239 N GLY A 79 5.056 8.454 0.800 1.00 0.00 N ATOM 1240 CA GLY A 79 5.392 7.285 -0.034 1.00 0.00 C ATOM 1241 C GLY A 79 4.241 6.857 -0.947 1.00 0.00 C ATOM 1242 O GLY A 79 4.131 5.687 -1.324 1.00 0.00 O ATOM 0 H GLY A 79 5.530 9.314 0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.265 7.518 -0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.667 6.451 0.612 1.00 0.00 H new ATOM 1246 N THR A 80 3.378 7.825 -1.280 1.00 0.00 N ATOM 1247 CA THR A 80 2.215 7.639 -2.153 1.00 0.00 C ATOM 1248 C THR A 80 2.181 8.738 -3.253 1.00 0.00 C ATOM 1249 O THR A 80 1.108 9.102 -3.765 1.00 0.00 O ATOM 1250 CB THR A 80 0.896 7.618 -1.286 1.00 0.00 C ATOM 1251 OG1 THR A 80 -0.244 7.308 -2.100 1.00 0.00 O ATOM 1252 CG2 THR A 80 0.649 8.949 -0.547 1.00 0.00 C ATOM 0 H THR A 80 3.473 8.782 -0.941 1.00 0.00 H new ATOM 0 HA THR A 80 2.290 6.680 -2.665 1.00 0.00 H new ATOM 0 HB THR A 80 1.036 6.840 -0.535 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.221 7.851 -2.915 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.271 8.878 0.033 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.485 9.154 0.122 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.558 9.757 -1.273 1.00 0.00 H new ATOM 1260 N PHE A 81 3.371 9.281 -3.619 1.00 0.00 N ATOM 1261 CA PHE A 81 3.516 10.113 -4.830 1.00 0.00 C ATOM 1262 C PHE A 81 3.272 9.247 -6.069 1.00 0.00 C ATOM 1263 O PHE A 81 3.631 8.063 -6.085 1.00 0.00 O ATOM 1264 CB PHE A 81 4.914 10.773 -4.909 1.00 0.00 C ATOM 1265 CG PHE A 81 5.124 11.674 -6.143 1.00 0.00 C ATOM 1266 CD1 PHE A 81 4.552 12.947 -6.203 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.869 11.239 -7.244 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.732 13.754 -7.306 1.00 0.00 C ATOM 1269 CE2 PHE A 81 6.043 12.048 -8.349 1.00 0.00 C ATOM 1270 CZ PHE A 81 5.474 13.307 -8.381 1.00 0.00 C ATOM 0 H PHE A 81 4.236 9.155 -3.093 1.00 0.00 H new ATOM 0 HA PHE A 81 2.779 10.915 -4.784 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.073 11.367 -4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.672 9.990 -4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.960 13.304 -5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.315 10.255 -7.229 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.291 14.740 -7.329 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.624 11.697 -9.189 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.610 13.940 -9.245 1.00 0.00 H new ATOM 1280 N GLY A 82 2.687 9.858 -7.104 1.00 0.00 N ATOM 1281 CA GLY A 82 2.293 9.135 -8.297 1.00 0.00 C ATOM 1282 C GLY A 82 1.070 8.270 -8.052 1.00 0.00 C ATOM 1283 O GLY A 82 0.926 7.221 -8.650 1.00 0.00 O ATOM 0 H GLY A 82 2.479 10.856 -7.130 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.083 9.843 -9.099 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.120 8.509 -8.633 1.00 0.00 H new ATOM 1287 N THR A 83 0.166 8.736 -7.186 1.00 0.00 N ATOM 1288 CA THR A 83 -1.111 8.051 -6.898 1.00 0.00 C ATOM 1289 C THR A 83 -2.296 8.996 -7.202 1.00 0.00 C ATOM 1290 O THR A 83 -2.181 10.214 -7.078 1.00 0.00 O ATOM 1291 CB THR A 83 -1.151 7.566 -5.413 1.00 0.00 C ATOM 1292 OG1 THR A 83 -0.034 6.686 -5.178 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.461 6.837 -5.046 1.00 0.00 C ATOM 0 H THR A 83 0.293 9.601 -6.660 1.00 0.00 H new ATOM 0 HA THR A 83 -1.194 7.173 -7.539 1.00 0.00 H new ATOM 0 HB THR A 83 -1.096 8.453 -4.782 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.696 7.188 -4.759 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.424 6.526 -4.002 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.306 7.510 -5.195 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.579 5.959 -5.682 1.00 0.00 H new ATOM 1301 N CYS A 84 -3.406 8.409 -7.657 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.667 9.107 -7.937 1.00 0.00 C ATOM 1303 C CYS A 84 -5.744 8.595 -6.982 1.00 0.00 C ATOM 1304 O CYS A 84 -6.287 7.503 -7.192 1.00 0.00 O ATOM 1305 CB CYS A 84 -5.092 8.840 -9.386 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.679 9.576 -9.863 1.00 0.00 S ATOM 0 H CYS A 84 -3.455 7.408 -7.846 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.533 10.180 -7.796 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.317 9.219 -10.052 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.146 7.762 -9.541 1.00 0.00 H new ATOM 0 HG CYS A 84 -6.877 9.393 -11.135 1.00 0.00 H new ATOM 1311 N VAL A 85 -6.039 9.391 -5.942 1.00 0.00 N ATOM 1312 CA VAL A 85 -6.968 9.012 -4.846 1.00 0.00 C ATOM 1313 C VAL A 85 -8.432 8.837 -5.324 1.00 0.00 C ATOM 1314 O VAL A 85 -9.189 8.083 -4.716 1.00 0.00 O ATOM 1315 CB VAL A 85 -6.904 10.043 -3.656 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -5.502 10.039 -2.995 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -7.305 11.468 -4.117 1.00 0.00 C ATOM 0 H VAL A 85 -5.641 10.323 -5.830 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.628 8.039 -4.491 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.629 9.729 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.484 10.759 -2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.285 9.043 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.750 10.312 -3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.250 12.153 -3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.624 11.802 -4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.324 11.452 -4.505 1.00 0.00 H new ATOM 1327 N LYS A 86 -8.797 9.509 -6.437 1.00 0.00 N ATOM 1328 CA LYS A 86 -10.179 9.491 -6.978 1.00 0.00 C ATOM 1329 C LYS A 86 -10.521 8.141 -7.679 1.00 0.00 C ATOM 1330 O LYS A 86 -11.680 7.879 -8.007 1.00 0.00 O ATOM 1331 CB LYS A 86 -10.383 10.718 -7.920 1.00 0.00 C ATOM 1332 CG LYS A 86 -11.850 10.965 -8.377 1.00 0.00 C ATOM 1333 CD LYS A 86 -12.073 12.347 -9.050 1.00 0.00 C ATOM 1334 CE LYS A 86 -11.921 13.532 -8.079 1.00 0.00 C ATOM 1335 NZ LYS A 86 -12.861 13.439 -6.931 1.00 0.00 N ATOM 0 H LYS A 86 -8.150 10.076 -6.984 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.880 9.572 -6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.023 11.611 -7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.761 10.584 -8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.140 10.180 -9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.509 10.882 -7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.362 12.464 -9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.070 12.372 -9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.897 13.566 -7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.096 14.464 -8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.871 14.343 -6.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.817 13.229 -7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.553 12.680 -6.290 1.00 0.00 H new ATOM 1349 N CYS A 87 -9.501 7.283 -7.912 1.00 0.00 N ATOM 1350 CA CYS A 87 -9.726 5.892 -8.400 1.00 0.00 C ATOM 1351 C CYS A 87 -8.800 4.884 -7.695 1.00 0.00 C ATOM 1352 O CYS A 87 -8.874 3.685 -7.976 1.00 0.00 O ATOM 1353 CB CYS A 87 -9.577 5.806 -9.939 1.00 0.00 C ATOM 1354 SG CYS A 87 -7.945 6.271 -10.587 1.00 0.00 S ATOM 0 H CYS A 87 -8.519 7.522 -7.773 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.752 5.623 -8.148 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.797 4.786 -10.253 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -10.328 6.449 -10.397 1.00 0.00 H new ATOM 0 HG CYS A 87 -7.656 7.481 -10.208 1.00 0.00 H new ATOM 1359 N GLY A 88 -7.974 5.380 -6.741 1.00 0.00 N ATOM 1360 CA GLY A 88 -7.030 4.548 -5.978 1.00 0.00 C ATOM 1361 C GLY A 88 -5.997 3.818 -6.842 1.00 0.00 C ATOM 1362 O GLY A 88 -5.560 2.718 -6.486 1.00 0.00 O ATOM 0 H GLY A 88 -7.949 6.367 -6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.506 5.178 -5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.593 3.812 -5.405 1.00 0.00 H new ATOM 1366 N LYS A 89 -5.598 4.433 -7.974 1.00 0.00 N ATOM 1367 CA LYS A 89 -4.689 3.794 -8.960 1.00 0.00 C ATOM 1368 C LYS A 89 -3.443 4.659 -9.210 1.00 0.00 C ATOM 1369 O LYS A 89 -3.416 5.835 -8.856 1.00 0.00 O ATOM 1370 CB LYS A 89 -5.430 3.530 -10.301 1.00 0.00 C ATOM 1371 CG LYS A 89 -6.631 2.556 -10.210 1.00 0.00 C ATOM 1372 CD LYS A 89 -7.226 2.208 -11.598 1.00 0.00 C ATOM 1373 CE LYS A 89 -6.222 1.473 -12.502 1.00 0.00 C ATOM 1374 NZ LYS A 89 -6.756 1.234 -13.865 1.00 0.00 N ATOM 0 H LYS A 89 -5.890 5.375 -8.233 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.367 2.841 -8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.784 4.482 -10.696 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.714 3.133 -11.021 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.313 1.638 -9.715 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.408 3.001 -9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.112 1.587 -11.465 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.550 3.125 -12.091 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.305 2.058 -12.572 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.958 0.519 -12.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.043 0.736 -14.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.617 0.653 -13.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.984 2.144 -14.313 1.00 0.00 H new ATOM 1388 N ARG A 90 -2.434 4.050 -9.857 1.00 0.00 N ATOM 1389 CA ARG A 90 -1.145 4.690 -10.187 1.00 0.00 C ATOM 1390 C ARG A 90 -1.331 5.778 -11.279 1.00 0.00 C ATOM 1391 O ARG A 90 -2.140 5.607 -12.201 1.00 0.00 O ATOM 1392 CB ARG A 90 -0.148 3.582 -10.667 1.00 0.00 C ATOM 1393 CG ARG A 90 1.300 4.041 -10.971 1.00 0.00 C ATOM 1394 CD ARG A 90 2.048 4.552 -9.729 1.00 0.00 C ATOM 1395 NE ARG A 90 2.109 3.549 -8.645 1.00 0.00 N ATOM 1396 CZ ARG A 90 2.018 3.816 -7.325 1.00 0.00 C ATOM 1397 NH1 ARG A 90 1.733 5.041 -6.889 1.00 0.00 N ATOM 1398 NH2 ARG A 90 2.185 2.845 -6.439 1.00 0.00 N ATOM 0 H ARG A 90 -2.491 3.081 -10.172 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.744 5.185 -9.303 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.107 2.806 -9.903 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.556 3.122 -11.567 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.855 3.208 -11.404 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.274 4.831 -11.722 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.061 4.837 -10.012 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.556 5.451 -9.359 1.00 0.00 H new ATOM 0 HE ARG A 90 2.230 2.573 -8.917 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.579 5.797 -7.556 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.668 5.224 -5.888 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.382 1.895 -6.754 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.116 3.047 -5.442 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.613 6.908 -11.133 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.520 7.965 -12.169 1.00 0.00 C ATOM 1414 C ILE A 91 0.424 7.484 -13.299 1.00 0.00 C ATOM 1415 O ILE A 91 1.341 6.709 -13.036 1.00 0.00 O ATOM 1416 CB ILE A 91 0.047 9.326 -11.583 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.778 9.840 -10.369 1.00 0.00 C ATOM 1418 CG2 ILE A 91 0.113 10.424 -12.663 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -2.131 10.409 -10.688 1.00 0.00 C ATOM 0 H ILE A 91 -0.077 7.118 -10.291 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.526 8.149 -12.546 1.00 0.00 H new ATOM 0 HB ILE A 91 1.057 9.105 -11.237 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.908 9.016 -9.668 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.195 10.605 -9.856 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.506 11.342 -12.225 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.767 10.099 -13.473 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.887 10.609 -13.056 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.615 10.735 -9.767 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.019 11.260 -11.360 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.743 9.645 -11.169 1.00 0.00 H new ATOM 1431 N SER A 92 0.201 7.949 -14.540 1.00 0.00 N ATOM 1432 CA SER A 92 1.104 7.671 -15.674 1.00 0.00 C ATOM 1433 C SER A 92 2.427 8.443 -15.489 1.00 0.00 C ATOM 1434 O SER A 92 2.421 9.557 -14.948 1.00 0.00 O ATOM 1435 CB SER A 92 0.428 8.086 -17.006 1.00 0.00 C ATOM 1436 OG SER A 92 -0.811 7.417 -17.192 1.00 0.00 O ATOM 0 H SER A 92 -0.604 8.525 -14.786 1.00 0.00 H new ATOM 0 HA SER A 92 1.317 6.602 -15.706 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.265 9.164 -17.012 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.094 7.859 -17.839 1.00 0.00 H new ATOM 0 HG SER A 92 -1.212 7.702 -18.039 1.00 0.00 H new ATOM 1442 N GLU A 93 3.552 7.851 -15.929 1.00 0.00 N ATOM 1443 CA GLU A 93 4.868 8.532 -15.929 1.00 0.00 C ATOM 1444 C GLU A 93 4.798 9.819 -16.779 1.00 0.00 C ATOM 1445 O GLU A 93 5.331 10.862 -16.395 1.00 0.00 O ATOM 1446 CB GLU A 93 5.972 7.591 -16.478 1.00 0.00 C ATOM 1447 CG GLU A 93 7.382 8.229 -16.555 1.00 0.00 C ATOM 1448 CD GLU A 93 8.413 7.336 -17.261 1.00 0.00 C ATOM 1449 OE1 GLU A 93 9.014 6.464 -16.602 1.00 0.00 O ATOM 1450 OE2 GLU A 93 8.601 7.485 -18.495 1.00 0.00 O ATOM 0 H GLU A 93 3.580 6.898 -16.292 1.00 0.00 H new ATOM 0 HA GLU A 93 5.120 8.796 -14.902 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.023 6.704 -15.846 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.684 7.256 -17.475 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.315 9.181 -17.082 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.731 8.447 -15.546 1.00 0.00 H new ATOM 1457 N ASP A 94 4.092 9.708 -17.923 1.00 0.00 N ATOM 1458 CA ASP A 94 3.898 10.814 -18.885 1.00 0.00 C ATOM 1459 C ASP A 94 3.089 11.957 -18.268 1.00 0.00 C ATOM 1460 O ASP A 94 3.320 13.133 -18.574 1.00 0.00 O ATOM 1461 CB ASP A 94 3.222 10.299 -20.179 1.00 0.00 C ATOM 1462 CG ASP A 94 3.987 9.124 -20.806 1.00 0.00 C ATOM 1463 OD1 ASP A 94 5.160 9.310 -21.214 1.00 0.00 O ATOM 1464 OD2 ASP A 94 3.438 8.006 -20.879 1.00 0.00 O ATOM 0 H ASP A 94 3.636 8.841 -18.208 1.00 0.00 H new ATOM 0 HA ASP A 94 4.881 11.207 -19.142 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.202 9.988 -19.955 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.155 11.113 -20.901 1.00 0.00 H new ATOM 1469 N ARG A 95 2.162 11.589 -17.376 1.00 0.00 N ATOM 1470 CA ARG A 95 1.349 12.549 -16.629 1.00 0.00 C ATOM 1471 C ARG A 95 2.210 13.289 -15.588 1.00 0.00 C ATOM 1472 O ARG A 95 2.064 14.496 -15.422 1.00 0.00 O ATOM 1473 CB ARG A 95 0.155 11.832 -15.944 1.00 0.00 C ATOM 1474 CG ARG A 95 -0.830 12.754 -15.174 1.00 0.00 C ATOM 1475 CD ARG A 95 -1.768 13.562 -16.088 1.00 0.00 C ATOM 1476 NE ARG A 95 -1.045 14.577 -16.891 1.00 0.00 N ATOM 1477 CZ ARG A 95 -1.378 14.979 -18.131 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -2.393 14.425 -18.778 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -0.677 15.937 -18.722 1.00 0.00 N ATOM 0 H ARG A 95 1.956 10.615 -17.153 1.00 0.00 H new ATOM 0 HA ARG A 95 0.951 13.284 -17.328 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.404 11.288 -16.705 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.550 11.091 -15.249 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.431 12.145 -14.500 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.258 13.445 -14.555 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.293 12.881 -16.758 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.525 14.057 -15.480 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.224 15.008 -16.467 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.935 13.682 -18.336 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.632 14.741 -19.718 1.00 0.00 H new ATOM 0 HH21 ARG A 95 0.111 16.366 -18.237 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.926 16.245 -19.662 1.00 0.00 H new ATOM 1493 N LEU A 96 3.122 12.546 -14.919 1.00 0.00 N ATOM 1494 CA LEU A 96 3.994 13.101 -13.855 1.00 0.00 C ATOM 1495 C LEU A 96 5.093 14.020 -14.431 1.00 0.00 C ATOM 1496 O LEU A 96 5.466 15.010 -13.806 1.00 0.00 O ATOM 1497 CB LEU A 96 4.648 11.963 -13.014 1.00 0.00 C ATOM 1498 CG LEU A 96 3.666 11.112 -12.150 1.00 0.00 C ATOM 1499 CD1 LEU A 96 4.370 9.901 -11.499 1.00 0.00 C ATOM 1500 CD2 LEU A 96 2.952 11.986 -11.083 1.00 0.00 C ATOM 0 H LEU A 96 3.274 11.554 -15.099 1.00 0.00 H new ATOM 0 HA LEU A 96 3.354 13.700 -13.207 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.180 11.295 -13.692 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.393 12.406 -12.354 1.00 0.00 H new ATOM 0 HG LEU A 96 2.906 10.718 -12.824 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.650 9.336 -10.907 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.783 9.259 -12.277 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.175 10.252 -10.853 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.275 11.364 -10.497 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.695 12.434 -10.423 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.384 12.774 -11.578 1.00 0.00 H new ATOM 1512 N LYS A 97 5.616 13.673 -15.619 1.00 0.00 N ATOM 1513 CA LYS A 97 6.677 14.465 -16.279 1.00 0.00 C ATOM 1514 C LYS A 97 6.077 15.758 -16.879 1.00 0.00 C ATOM 1515 O LYS A 97 6.753 16.787 -16.955 1.00 0.00 O ATOM 1516 CB LYS A 97 7.429 13.612 -17.354 1.00 0.00 C ATOM 1517 CG LYS A 97 6.655 13.370 -18.671 1.00 0.00 C ATOM 1518 CD LYS A 97 7.360 12.390 -19.645 1.00 0.00 C ATOM 1519 CE LYS A 97 7.523 10.979 -19.063 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.001 9.990 -20.061 1.00 0.00 N ATOM 0 H LYS A 97 5.324 12.850 -16.145 1.00 0.00 H new ATOM 0 HA LYS A 97 7.418 14.755 -15.533 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.371 14.107 -17.592 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.678 12.645 -16.916 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.665 12.980 -18.433 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.509 14.325 -19.175 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.787 12.331 -20.570 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.342 12.786 -19.903 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.225 11.015 -18.230 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.567 10.646 -18.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.317 9.128 -19.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.227 9.754 -20.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.795 10.394 -20.597 1.00 0.00 H new ATOM 1534 N ALA A 98 4.789 15.685 -17.274 1.00 0.00 N ATOM 1535 CA ALA A 98 4.030 16.836 -17.800 1.00 0.00 C ATOM 1536 C ALA A 98 3.572 17.765 -16.661 1.00 0.00 C ATOM 1537 O ALA A 98 3.607 18.992 -16.792 1.00 0.00 O ATOM 1538 CB ALA A 98 2.824 16.335 -18.612 1.00 0.00 C ATOM 0 H ALA A 98 4.245 14.823 -17.237 1.00 0.00 H new ATOM 0 HA ALA A 98 4.683 17.414 -18.454 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.266 17.188 -18.999 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.174 15.723 -19.443 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.176 15.738 -17.970 1.00 0.00 H new ATOM 1544 N VAL A 99 3.151 17.152 -15.542 1.00 0.00 N ATOM 1545 CA VAL A 99 2.619 17.848 -14.359 1.00 0.00 C ATOM 1546 C VAL A 99 2.778 16.930 -13.112 1.00 0.00 C ATOM 1547 O VAL A 99 1.976 16.018 -12.893 1.00 0.00 O ATOM 1548 CB VAL A 99 1.112 18.319 -14.576 1.00 0.00 C ATOM 1549 CG1 VAL A 99 0.209 17.189 -15.126 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.512 18.932 -13.286 1.00 0.00 C ATOM 0 H VAL A 99 3.172 16.138 -15.433 1.00 0.00 H new ATOM 0 HA VAL A 99 3.192 18.760 -14.194 1.00 0.00 H new ATOM 0 HB VAL A 99 1.143 19.100 -15.336 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.806 17.565 -15.255 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.595 16.850 -16.087 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.201 16.355 -14.424 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.516 19.241 -13.474 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.527 18.189 -12.489 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.102 19.798 -12.986 1.00 0.00 H new ATOM 1560 N PRO A 100 3.877 17.110 -12.300 1.00 0.00 N ATOM 1561 CA PRO A 100 4.131 16.279 -11.090 1.00 0.00 C ATOM 1562 C PRO A 100 3.285 16.693 -9.874 1.00 0.00 C ATOM 1563 O PRO A 100 3.386 16.085 -8.812 1.00 0.00 O ATOM 1564 CB PRO A 100 5.642 16.507 -10.832 1.00 0.00 C ATOM 1565 CG PRO A 100 5.912 17.890 -11.340 1.00 0.00 C ATOM 1566 CD PRO A 100 4.966 18.108 -12.509 1.00 0.00 C ATOM 0 HA PRO A 100 3.858 15.235 -11.245 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.880 16.422 -9.772 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.249 15.768 -11.355 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.742 18.631 -10.559 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.950 17.992 -11.656 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.575 19.126 -12.519 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.471 17.951 -13.462 1.00 0.00 H new ATOM 1574 N TYR A 101 2.462 17.737 -10.036 1.00 0.00 N ATOM 1575 CA TYR A 101 1.607 18.260 -8.951 1.00 0.00 C ATOM 1576 C TYR A 101 0.127 17.955 -9.166 1.00 0.00 C ATOM 1577 O TYR A 101 -0.708 18.458 -8.419 1.00 0.00 O ATOM 1578 CB TYR A 101 1.846 19.775 -8.749 1.00 0.00 C ATOM 1579 CG TYR A 101 1.763 20.668 -10.001 1.00 0.00 C ATOM 1580 CD1 TYR A 101 2.873 20.832 -10.837 1.00 0.00 C ATOM 1581 CD2 TYR A 101 0.598 21.370 -10.328 1.00 0.00 C ATOM 1582 CE1 TYR A 101 2.822 21.647 -11.943 1.00 0.00 C ATOM 1583 CE2 TYR A 101 0.550 22.192 -11.438 1.00 0.00 C ATOM 1584 CZ TYR A 101 1.663 22.327 -12.237 1.00 0.00 C ATOM 1585 OH TYR A 101 1.620 23.145 -13.337 1.00 0.00 O ATOM 0 H TYR A 101 2.367 18.244 -10.916 1.00 0.00 H new ATOM 0 HA TYR A 101 1.897 17.739 -8.039 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.118 20.139 -8.024 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.832 19.906 -8.304 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.789 20.307 -10.609 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.277 21.268 -9.704 1.00 0.00 H new ATOM 0 HE1 TYR A 101 3.689 21.753 -12.579 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.357 22.727 -11.678 1.00 0.00 H new ATOM 0 HH TYR A 101 0.731 23.552 -13.407 1.00 0.00 H new ATOM 1595 N THR A 102 -0.202 17.108 -10.155 1.00 0.00 N ATOM 1596 CA THR A 102 -1.589 16.675 -10.366 1.00 0.00 C ATOM 1597 C THR A 102 -1.954 15.600 -9.294 1.00 0.00 C ATOM 1598 O THR A 102 -1.288 14.557 -9.194 1.00 0.00 O ATOM 1599 CB THR A 102 -1.838 16.158 -11.831 1.00 0.00 C ATOM 1600 OG1 THR A 102 -3.233 15.876 -12.026 1.00 0.00 O ATOM 1601 CG2 THR A 102 -1.005 14.912 -12.186 1.00 0.00 C ATOM 0 H THR A 102 0.469 16.714 -10.815 1.00 0.00 H new ATOM 0 HA THR A 102 -2.247 17.535 -10.246 1.00 0.00 H new ATOM 0 HB THR A 102 -1.517 16.958 -12.498 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.387 14.912 -11.938 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.224 14.607 -13.209 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.056 15.146 -12.096 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.257 14.100 -11.504 1.00 0.00 H new ATOM 1609 N PRO A 103 -2.975 15.868 -8.412 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.416 14.896 -7.383 1.00 0.00 C ATOM 1611 C PRO A 103 -4.284 13.759 -7.979 1.00 0.00 C ATOM 1612 O PRO A 103 -4.645 12.798 -7.275 1.00 0.00 O ATOM 1613 CB PRO A 103 -4.213 15.784 -6.387 1.00 0.00 C ATOM 1614 CG PRO A 103 -4.765 16.897 -7.228 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.750 17.144 -8.331 1.00 0.00 C ATOM 0 HA PRO A 103 -2.586 14.368 -6.914 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.011 15.220 -5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.569 16.167 -5.595 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.734 16.624 -7.646 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.917 17.796 -6.631 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.239 17.373 -9.278 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.103 17.988 -8.094 1.00 0.00 H new ATOM 1623 N PHE A 104 -4.621 13.879 -9.279 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.476 12.914 -9.994 1.00 0.00 C ATOM 1625 C PHE A 104 -4.805 12.497 -11.312 1.00 0.00 C ATOM 1626 O PHE A 104 -3.928 13.189 -11.819 1.00 0.00 O ATOM 1627 CB PHE A 104 -6.881 13.528 -10.273 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.545 14.133 -9.036 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -7.831 13.345 -7.918 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -7.839 15.495 -8.970 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -8.388 13.903 -6.786 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -8.394 16.050 -7.833 1.00 0.00 C ATOM 1633 CZ PHE A 104 -8.672 15.253 -6.743 1.00 0.00 C ATOM 0 H PHE A 104 -4.305 14.653 -9.864 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.607 12.032 -9.368 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.785 14.300 -11.037 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.531 12.754 -10.681 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.614 12.287 -7.940 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.629 16.126 -9.821 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.603 13.281 -5.930 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.610 17.108 -7.798 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.112 15.685 -5.856 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.219 11.340 -11.849 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.734 10.842 -13.152 1.00 0.00 C ATOM 1645 C CYS A 105 -5.531 11.522 -14.259 1.00 0.00 C ATOM 1646 O CYS A 105 -6.578 12.095 -13.962 1.00 0.00 O ATOM 1647 CB CYS A 105 -4.862 9.305 -13.221 1.00 0.00 C ATOM 1648 SG CYS A 105 -6.555 8.636 -13.368 1.00 0.00 S ATOM 0 H CYS A 105 -5.895 10.724 -11.398 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.678 11.082 -13.278 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.280 8.952 -14.072 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.405 8.884 -12.326 1.00 0.00 H new ATOM 0 HG CYS A 105 -6.805 7.861 -12.355 1.00 0.00 H new ATOM 1653 N GLN A 106 -5.044 11.444 -15.520 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.634 12.169 -16.676 1.00 0.00 C ATOM 1655 C GLN A 106 -7.162 11.970 -16.755 1.00 0.00 C ATOM 1656 O GLN A 106 -7.890 12.915 -17.034 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.913 11.725 -17.988 1.00 0.00 C ATOM 1658 CG GLN A 106 -5.287 12.504 -19.290 1.00 0.00 C ATOM 1659 CD GLN A 106 -6.642 12.128 -19.928 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -7.088 10.984 -19.846 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -7.304 13.093 -20.550 1.00 0.00 N ATOM 0 H GLN A 106 -4.232 10.878 -15.767 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.478 13.239 -16.541 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.838 11.816 -17.833 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.123 10.668 -18.151 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.296 13.570 -19.064 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.501 12.341 -20.028 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.908 14.032 -20.601 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.209 12.897 -20.977 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.614 10.732 -16.483 1.00 0.00 N ATOM 1671 CA GLU A 107 -9.050 10.371 -16.453 1.00 0.00 C ATOM 1672 C GLU A 107 -9.836 11.244 -15.449 1.00 0.00 C ATOM 1673 O GLU A 107 -10.816 11.902 -15.808 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.206 8.880 -16.055 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.556 7.874 -17.023 1.00 0.00 C ATOM 1676 CD GLU A 107 -8.660 6.421 -16.531 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -9.685 5.761 -16.797 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -7.734 5.952 -15.839 1.00 0.00 O ATOM 0 H GLU A 107 -6.994 9.949 -16.277 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.456 10.543 -17.450 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.775 8.738 -15.064 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.269 8.650 -15.976 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.032 7.957 -18.000 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.506 8.133 -17.158 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.349 11.256 -14.194 1.00 0.00 N ATOM 1686 CA CYS A 108 -10.035 11.910 -13.063 1.00 0.00 C ATOM 1687 C CYS A 108 -9.821 13.438 -13.077 1.00 0.00 C ATOM 1688 O CYS A 108 -10.613 14.175 -12.492 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.547 11.304 -11.727 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.758 9.503 -11.601 1.00 0.00 S ATOM 0 H CYS A 108 -8.468 10.812 -13.935 1.00 0.00 H new ATOM 0 HA CYS A 108 -11.105 11.729 -13.166 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.492 11.544 -11.596 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.086 11.779 -10.908 1.00 0.00 H new ATOM 0 HG CYS A 108 -8.781 8.999 -10.906 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.744 13.885 -13.753 1.00 0.00 N ATOM 1696 CA ALA A 109 -8.392 15.310 -13.884 1.00 0.00 C ATOM 1697 C ALA A 109 -9.224 15.956 -15.002 1.00 0.00 C ATOM 1698 O ALA A 109 -9.588 17.129 -14.916 1.00 0.00 O ATOM 1699 CB ALA A 109 -6.884 15.466 -14.137 1.00 0.00 C ATOM 0 H ALA A 109 -8.090 13.261 -14.226 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.625 15.826 -12.952 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -6.638 16.524 -14.232 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.329 15.038 -13.302 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.614 14.947 -15.057 1.00 0.00 H new ATOM 1705 N ALA A 110 -9.531 15.157 -16.040 1.00 0.00 N ATOM 1706 CA ALA A 110 -10.435 15.553 -17.139 1.00 0.00 C ATOM 1707 C ALA A 110 -11.910 15.435 -16.700 1.00 0.00 C ATOM 1708 O ALA A 110 -12.798 16.032 -17.315 1.00 0.00 O ATOM 1709 CB ALA A 110 -10.167 14.690 -18.383 1.00 0.00 C ATOM 0 H ALA A 110 -9.158 14.213 -16.142 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.240 16.595 -17.391 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.839 14.991 -19.186 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.134 14.825 -18.704 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.337 13.641 -18.142 1.00 0.00 H new ATOM 1715 N ALA A 111 -12.152 14.634 -15.641 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.486 14.462 -15.033 1.00 0.00 C ATOM 1717 C ALA A 111 -13.852 15.629 -14.093 1.00 0.00 C ATOM 1718 O ALA A 111 -15.027 15.796 -13.761 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.555 13.121 -14.282 1.00 0.00 C ATOM 0 H ALA A 111 -11.424 14.087 -15.183 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.218 14.460 -15.841 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.543 13.004 -13.837 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.372 12.304 -14.979 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.799 13.104 -13.497 1.00 0.00 H new