USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=14 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 -134:sc= -4.37! USER MOD Set 1.2: A 87 CYS SG : rot 83:sc= -1.94! USER MOD Set 1.3: A 105 CYS SG : rot -100:sc= -9.03! USER MOD Set 1.4: A 108 CYS SG : rot -178:sc= -5.19! USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc= 0.537 USER MOD Set 2.2: A 83 THR OG1 : rot 157:sc= 0.59 USER MOD Single : A 8 ASN : amide:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 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= -1.1 K(o=-1.1,f=-3.6!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.015) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 63 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.2) USER MOD Single : A 78 SER OG : rot -18:sc= 0.105 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 168:sc= 0.617 (180deg=0.531) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -106:sc= 1.81 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ASN A 8 11.726 9.402 -11.038 1.00 0.00 N ATOM 97 CA ASN A 8 12.260 10.788 -11.006 1.00 0.00 C ATOM 98 C ASN A 8 11.478 11.635 -9.984 1.00 0.00 C ATOM 99 O ASN A 8 11.325 12.850 -10.146 1.00 0.00 O ATOM 100 CB ASN A 8 12.270 11.461 -12.425 1.00 0.00 C ATOM 101 CG ASN A 8 13.145 10.750 -13.476 1.00 0.00 C ATOM 102 OD1 ASN A 8 12.825 10.751 -14.664 1.00 0.00 O ATOM 103 ND2 ASN A 8 14.271 10.168 -13.069 1.00 0.00 N ATOM 0 HA ASN A 8 13.302 10.733 -10.689 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.246 11.506 -12.797 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.617 12.489 -12.321 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.884 9.714 -13.746 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.521 10.177 -12.080 1.00 0.00 H new ATOM 110 N VAL A 9 11.034 10.970 -8.896 1.00 0.00 N ATOM 111 CA VAL A 9 10.237 11.589 -7.821 1.00 0.00 C ATOM 112 C VAL A 9 11.004 12.736 -7.142 1.00 0.00 C ATOM 113 O VAL A 9 10.408 13.747 -6.800 1.00 0.00 O ATOM 114 CB VAL A 9 9.798 10.525 -6.742 1.00 0.00 C ATOM 115 CG1 VAL A 9 9.094 11.172 -5.532 1.00 0.00 C ATOM 116 CG2 VAL A 9 8.887 9.451 -7.356 1.00 0.00 C ATOM 0 H VAL A 9 11.222 9.980 -8.740 1.00 0.00 H new ATOM 0 HA VAL A 9 9.341 11.999 -8.288 1.00 0.00 H new ATOM 0 HB VAL A 9 10.715 10.055 -6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.812 10.398 -4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.771 11.878 -5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.201 11.698 -5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.602 8.733 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.992 9.922 -7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.420 8.935 -8.155 1.00 0.00 H new ATOM 126 N GLU A 10 12.328 12.561 -6.974 1.00 0.00 N ATOM 127 CA GLU A 10 13.199 13.565 -6.338 1.00 0.00 C ATOM 128 C GLU A 10 13.351 14.813 -7.234 1.00 0.00 C ATOM 129 O GLU A 10 13.506 15.931 -6.728 1.00 0.00 O ATOM 130 CB GLU A 10 14.580 12.948 -6.046 1.00 0.00 C ATOM 131 CG GLU A 10 14.540 11.673 -5.178 1.00 0.00 C ATOM 132 CD GLU A 10 15.934 11.070 -4.971 1.00 0.00 C ATOM 133 OE1 GLU A 10 16.438 10.387 -5.887 1.00 0.00 O ATOM 134 OE2 GLU A 10 16.548 11.308 -3.911 1.00 0.00 O ATOM 0 H GLU A 10 12.823 11.721 -7.275 1.00 0.00 H new ATOM 0 HA GLU A 10 12.739 13.877 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.066 12.713 -6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.199 13.693 -5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.100 11.909 -4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.893 10.934 -5.650 1.00 0.00 H new ATOM 141 N SER A 11 13.306 14.595 -8.568 1.00 0.00 N ATOM 142 CA SER A 11 13.310 15.684 -9.567 1.00 0.00 C ATOM 143 C SER A 11 12.007 16.498 -9.463 1.00 0.00 C ATOM 144 O SER A 11 12.016 17.731 -9.559 1.00 0.00 O ATOM 145 CB SER A 11 13.468 15.110 -10.998 1.00 0.00 C ATOM 146 OG SER A 11 14.644 14.326 -11.111 1.00 0.00 O ATOM 0 H SER A 11 13.266 13.662 -8.979 1.00 0.00 H new ATOM 0 HA SER A 11 14.157 16.340 -9.363 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.598 14.502 -11.247 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.502 15.927 -11.718 1.00 0.00 H new ATOM 0 HG SER A 11 14.717 13.975 -12.023 1.00 0.00 H new ATOM 152 N TYR A 12 10.892 15.776 -9.244 1.00 0.00 N ATOM 153 CA TYR A 12 9.573 16.383 -9.036 1.00 0.00 C ATOM 154 C TYR A 12 9.523 17.093 -7.675 1.00 0.00 C ATOM 155 O TYR A 12 8.958 18.164 -7.562 1.00 0.00 O ATOM 156 CB TYR A 12 8.454 15.313 -9.139 1.00 0.00 C ATOM 157 CG TYR A 12 8.377 14.596 -10.502 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.498 15.303 -11.706 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.158 13.222 -10.585 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.402 14.662 -12.924 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.066 12.577 -11.798 1.00 0.00 C ATOM 162 CZ TYR A 12 8.186 13.297 -12.963 1.00 0.00 C ATOM 163 OH TYR A 12 8.078 12.650 -14.172 1.00 0.00 O ATOM 0 H TYR A 12 10.885 14.757 -9.207 1.00 0.00 H new ATOM 0 HA TYR A 12 9.405 17.123 -9.818 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.609 14.568 -8.359 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.494 15.789 -8.939 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.670 16.369 -11.680 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.058 12.649 -9.675 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.495 15.223 -13.842 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.900 11.510 -11.834 1.00 0.00 H new ATOM 0 HH TYR A 12 7.929 11.694 -14.019 1.00 0.00 H new ATOM 173 N GLU A 13 10.169 16.492 -6.669 1.00 0.00 N ATOM 174 CA GLU A 13 10.169 16.964 -5.283 1.00 0.00 C ATOM 175 C GLU A 13 10.770 18.383 -5.202 1.00 0.00 C ATOM 176 O GLU A 13 10.125 19.310 -4.702 1.00 0.00 O ATOM 177 CB GLU A 13 10.969 15.933 -4.424 1.00 0.00 C ATOM 178 CG GLU A 13 10.615 15.875 -2.932 1.00 0.00 C ATOM 179 CD GLU A 13 11.136 17.064 -2.111 1.00 0.00 C ATOM 180 OE1 GLU A 13 12.367 17.172 -1.935 1.00 0.00 O ATOM 181 OE2 GLU A 13 10.335 17.888 -1.641 1.00 0.00 O ATOM 0 H GLU A 13 10.719 15.643 -6.801 1.00 0.00 H new ATOM 0 HA GLU A 13 9.153 17.035 -4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.818 14.941 -4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.031 16.161 -4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.531 15.825 -2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.017 14.954 -2.511 1.00 0.00 H new ATOM 188 N LYS A 14 11.990 18.534 -5.754 1.00 0.00 N ATOM 189 CA LYS A 14 12.714 19.817 -5.768 1.00 0.00 C ATOM 190 C LYS A 14 11.979 20.880 -6.614 1.00 0.00 C ATOM 191 O LYS A 14 11.832 22.014 -6.161 1.00 0.00 O ATOM 192 CB LYS A 14 14.174 19.643 -6.284 1.00 0.00 C ATOM 193 CG LYS A 14 14.301 19.015 -7.691 1.00 0.00 C ATOM 194 CD LYS A 14 15.702 19.181 -8.319 1.00 0.00 C ATOM 195 CE LYS A 14 16.055 20.656 -8.597 1.00 0.00 C ATOM 196 NZ LYS A 14 17.346 20.787 -9.319 1.00 0.00 N ATOM 0 H LYS A 14 12.499 17.771 -6.201 1.00 0.00 H new ATOM 0 HA LYS A 14 12.750 20.166 -4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.658 20.619 -6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.722 19.022 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.064 17.953 -7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.561 19.468 -8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.449 18.752 -7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.747 18.618 -9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.261 21.115 -9.186 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.109 21.201 -7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.549 21.793 -9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.108 20.371 -8.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.287 20.288 -10.230 1.00 0.00 H new ATOM 210 N ILE A 15 11.497 20.498 -7.831 1.00 0.00 N ATOM 211 CA ILE A 15 10.883 21.460 -8.780 1.00 0.00 C ATOM 212 C ILE A 15 9.565 22.018 -8.199 1.00 0.00 C ATOM 213 O ILE A 15 9.229 23.177 -8.424 1.00 0.00 O ATOM 214 CB ILE A 15 10.654 20.833 -10.228 1.00 0.00 C ATOM 215 CG1 ILE A 15 10.456 21.947 -11.315 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.457 19.848 -10.259 1.00 0.00 C ATOM 217 CD1 ILE A 15 10.274 21.426 -12.741 1.00 0.00 C ATOM 0 H ILE A 15 11.523 19.537 -8.172 1.00 0.00 H new ATOM 0 HA ILE A 15 11.587 22.282 -8.910 1.00 0.00 H new ATOM 0 HB ILE A 15 11.559 20.272 -10.462 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.585 22.545 -11.048 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.319 22.613 -11.294 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.341 19.448 -11.266 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.641 19.030 -9.562 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.546 20.373 -9.971 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.144 22.267 -13.422 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.154 20.854 -13.034 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.394 20.785 -12.785 1.00 0.00 H new ATOM 229 N LEU A 16 8.859 21.174 -7.414 1.00 0.00 N ATOM 230 CA LEU A 16 7.599 21.537 -6.734 1.00 0.00 C ATOM 231 C LEU A 16 7.861 22.474 -5.546 1.00 0.00 C ATOM 232 O LEU A 16 7.076 23.384 -5.283 1.00 0.00 O ATOM 233 CB LEU A 16 6.850 20.255 -6.263 1.00 0.00 C ATOM 234 CG LEU A 16 6.182 19.397 -7.386 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.548 18.099 -6.821 1.00 0.00 C ATOM 236 CD2 LEU A 16 5.155 20.232 -8.173 1.00 0.00 C ATOM 0 H LEU A 16 9.152 20.214 -7.234 1.00 0.00 H new ATOM 0 HA LEU A 16 6.970 22.069 -7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.556 19.624 -5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.078 20.550 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 16 6.966 19.089 -8.078 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.095 17.532 -7.634 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.320 17.495 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.784 18.357 -6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.703 19.615 -8.949 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.380 20.588 -7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.655 21.085 -8.633 1.00 0.00 H new ATOM 248 N ARG A 17 8.961 22.218 -4.831 1.00 0.00 N ATOM 249 CA ARG A 17 9.424 23.064 -3.727 1.00 0.00 C ATOM 250 C ARG A 17 9.822 24.463 -4.230 1.00 0.00 C ATOM 251 O ARG A 17 9.440 25.465 -3.625 1.00 0.00 O ATOM 252 CB ARG A 17 10.587 22.344 -2.991 1.00 0.00 C ATOM 253 CG ARG A 17 10.101 21.202 -2.064 1.00 0.00 C ATOM 254 CD ARG A 17 9.576 21.734 -0.716 1.00 0.00 C ATOM 255 NE ARG A 17 8.643 20.805 -0.054 1.00 0.00 N ATOM 256 CZ ARG A 17 8.974 19.745 0.698 1.00 0.00 C ATOM 257 NH1 ARG A 17 10.244 19.437 0.949 1.00 0.00 N ATOM 258 NH2 ARG A 17 8.006 18.992 1.200 1.00 0.00 N ATOM 0 H ARG A 17 9.560 21.411 -5.004 1.00 0.00 H new ATOM 0 HA ARG A 17 8.613 23.218 -3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.279 21.937 -3.728 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.142 23.073 -2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.312 20.641 -2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.921 20.507 -1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.420 21.926 -0.054 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.075 22.688 -0.879 1.00 0.00 H new ATOM 0 HE ARG A 17 7.647 20.986 -0.180 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.994 20.013 0.566 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.468 18.625 1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.031 19.223 1.012 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.236 18.181 1.775 1.00 0.00 H new ATOM 272 N ASP A 18 10.518 24.527 -5.381 1.00 0.00 N ATOM 273 CA ASP A 18 10.932 25.808 -5.985 1.00 0.00 C ATOM 274 C ASP A 18 9.693 26.543 -6.499 1.00 0.00 C ATOM 275 O ASP A 18 9.588 27.770 -6.383 1.00 0.00 O ATOM 276 CB ASP A 18 11.946 25.578 -7.140 1.00 0.00 C ATOM 277 CG ASP A 18 13.334 25.126 -6.647 1.00 0.00 C ATOM 278 OD1 ASP A 18 14.004 25.913 -5.944 1.00 0.00 O ATOM 279 OD2 ASP A 18 13.770 23.995 -6.969 1.00 0.00 O ATOM 0 H ASP A 18 10.806 23.705 -5.912 1.00 0.00 H new ATOM 0 HA ASP A 18 11.428 26.414 -5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.547 24.826 -7.821 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.053 26.501 -7.710 1.00 0.00 H new ATOM 284 N ARG A 19 8.742 25.738 -7.009 1.00 0.00 N ATOM 285 CA ARG A 19 7.498 26.220 -7.610 1.00 0.00 C ATOM 286 C ARG A 19 6.614 26.898 -6.560 1.00 0.00 C ATOM 287 O ARG A 19 6.140 28.005 -6.762 1.00 0.00 O ATOM 288 CB ARG A 19 6.717 25.040 -8.281 1.00 0.00 C ATOM 289 CG ARG A 19 5.856 25.459 -9.483 1.00 0.00 C ATOM 290 CD ARG A 19 6.730 26.035 -10.601 1.00 0.00 C ATOM 291 NE ARG A 19 5.940 26.459 -11.763 1.00 0.00 N ATOM 292 CZ ARG A 19 6.178 27.552 -12.499 1.00 0.00 C ATOM 293 NH1 ARG A 19 7.146 28.406 -12.170 1.00 0.00 N ATOM 294 NH2 ARG A 19 5.438 27.796 -13.563 1.00 0.00 N ATOM 0 H ARG A 19 8.824 24.721 -7.012 1.00 0.00 H new ATOM 0 HA ARG A 19 7.757 26.952 -8.375 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.432 24.284 -8.606 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.076 24.572 -7.534 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.300 24.599 -9.856 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.122 26.201 -9.170 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.293 26.886 -10.217 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.458 25.286 -10.913 1.00 0.00 H new ATOM 0 HE ARG A 19 5.148 25.875 -12.031 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.721 28.233 -11.345 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.313 29.233 -12.743 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.689 27.154 -13.821 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.615 28.627 -14.127 1.00 0.00 H new ATOM 308 N GLN A 20 6.423 26.218 -5.423 1.00 0.00 N ATOM 309 CA GLN A 20 5.504 26.677 -4.376 1.00 0.00 C ATOM 310 C GLN A 20 6.058 27.914 -3.665 1.00 0.00 C ATOM 311 O GLN A 20 5.282 28.762 -3.269 1.00 0.00 O ATOM 312 CB GLN A 20 5.199 25.552 -3.346 1.00 0.00 C ATOM 313 CG GLN A 20 6.326 25.269 -2.330 1.00 0.00 C ATOM 314 CD GLN A 20 6.062 24.105 -1.370 1.00 0.00 C ATOM 315 OE1 GLN A 20 6.992 23.468 -0.900 1.00 0.00 O ATOM 316 NE2 GLN A 20 4.807 23.813 -1.069 1.00 0.00 N ATOM 0 H GLN A 20 6.897 25.342 -5.204 1.00 0.00 H new ATOM 0 HA GLN A 20 4.567 26.946 -4.864 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.296 25.819 -2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.982 24.632 -3.890 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.245 25.065 -2.879 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.499 26.171 -1.743 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.046 24.358 -1.473 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.601 23.043 -0.433 1.00 0.00 H new ATOM 325 N ARG A 21 7.409 28.003 -3.514 1.00 0.00 N ATOM 326 CA ARG A 21 8.058 29.108 -2.770 1.00 0.00 C ATOM 327 C ARG A 21 8.091 30.409 -3.587 1.00 0.00 C ATOM 328 O ARG A 21 7.898 31.495 -3.022 1.00 0.00 O ATOM 329 CB ARG A 21 9.488 28.719 -2.305 1.00 0.00 C ATOM 330 CG ARG A 21 9.541 27.517 -1.331 1.00 0.00 C ATOM 331 CD ARG A 21 8.635 27.692 -0.101 1.00 0.00 C ATOM 332 NE ARG A 21 8.599 26.468 0.717 1.00 0.00 N ATOM 333 CZ ARG A 21 7.726 26.206 1.706 1.00 0.00 C ATOM 334 NH1 ARG A 21 6.798 27.093 2.063 1.00 0.00 N ATOM 335 NH2 ARG A 21 7.795 25.047 2.342 1.00 0.00 N ATOM 0 H ARG A 21 8.064 27.322 -3.899 1.00 0.00 H new ATOM 0 HA ARG A 21 7.450 29.288 -1.884 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.091 28.486 -3.183 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.947 29.582 -1.823 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.248 26.613 -1.864 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.569 27.372 -0.999 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.995 28.525 0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.625 27.946 -0.424 1.00 0.00 H new ATOM 0 HE ARG A 21 9.299 25.754 0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.740 27.991 1.583 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.146 26.874 2.816 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.505 24.363 2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.138 24.838 3.094 1.00 0.00 H new ATOM 349 N GLU A 22 8.329 30.292 -4.911 1.00 0.00 N ATOM 350 CA GLU A 22 8.325 31.461 -5.819 1.00 0.00 C ATOM 351 C GLU A 22 6.895 32.032 -5.929 1.00 0.00 C ATOM 352 O GLU A 22 6.694 33.254 -5.895 1.00 0.00 O ATOM 353 CB GLU A 22 8.905 31.096 -7.219 1.00 0.00 C ATOM 354 CG GLU A 22 8.069 30.082 -8.027 1.00 0.00 C ATOM 355 CD GLU A 22 8.641 29.750 -9.411 1.00 0.00 C ATOM 356 OE1 GLU A 22 8.702 30.660 -10.259 1.00 0.00 O ATOM 357 OE2 GLU A 22 8.995 28.580 -9.671 1.00 0.00 O ATOM 0 H GLU A 22 8.526 29.405 -5.374 1.00 0.00 H new ATOM 0 HA GLU A 22 8.974 32.230 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.004 32.010 -7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.909 30.692 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.983 29.160 -7.452 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.060 30.477 -8.149 1.00 0.00 H new ATOM 364 N LEU A 23 5.909 31.119 -6.009 1.00 0.00 N ATOM 365 CA LEU A 23 4.487 31.475 -6.032 1.00 0.00 C ATOM 366 C LEU A 23 4.045 32.014 -4.663 1.00 0.00 C ATOM 367 O LEU A 23 3.246 32.936 -4.612 1.00 0.00 O ATOM 368 CB LEU A 23 3.616 30.258 -6.440 1.00 0.00 C ATOM 369 CG LEU A 23 3.801 29.715 -7.896 1.00 0.00 C ATOM 370 CD1 LEU A 23 3.012 28.402 -8.113 1.00 0.00 C ATOM 371 CD2 LEU A 23 3.412 30.776 -8.944 1.00 0.00 C ATOM 0 H LEU A 23 6.081 30.115 -6.059 1.00 0.00 H new ATOM 0 HA LEU A 23 4.347 32.258 -6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.823 29.444 -5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.569 30.531 -6.309 1.00 0.00 H new ATOM 0 HG LEU A 23 4.859 29.491 -8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.162 28.052 -9.134 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.367 27.645 -7.414 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.951 28.583 -7.944 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.552 30.367 -9.945 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.367 31.055 -8.809 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.042 31.657 -8.821 1.00 0.00 H new ATOM 383 N TYR A 24 4.604 31.441 -3.570 1.00 0.00 N ATOM 384 CA TYR A 24 4.258 31.812 -2.172 1.00 0.00 C ATOM 385 C TYR A 24 4.531 33.306 -1.933 1.00 0.00 C ATOM 386 O TYR A 24 3.637 34.048 -1.543 1.00 0.00 O ATOM 387 CB TYR A 24 5.070 30.943 -1.141 1.00 0.00 C ATOM 388 CG TYR A 24 4.233 30.330 -0.004 1.00 0.00 C ATOM 389 CD1 TYR A 24 3.722 31.122 1.028 1.00 0.00 C ATOM 390 CD2 TYR A 24 3.945 28.957 0.030 1.00 0.00 C ATOM 391 CE1 TYR A 24 2.963 30.570 2.047 1.00 0.00 C ATOM 392 CE2 TYR A 24 3.186 28.408 1.047 1.00 0.00 C ATOM 393 CZ TYR A 24 2.697 29.217 2.052 1.00 0.00 C ATOM 394 OH TYR A 24 1.944 28.672 3.071 1.00 0.00 O ATOM 0 H TYR A 24 5.309 30.707 -3.631 1.00 0.00 H new ATOM 0 HA TYR A 24 3.196 31.617 -2.023 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.567 30.137 -1.681 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.852 31.563 -0.702 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.922 32.183 1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.323 28.317 -0.753 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.580 31.199 2.837 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.976 27.349 1.055 1.00 0.00 H new ATOM 0 HH TYR A 24 1.847 27.708 2.926 1.00 0.00 H new ATOM 404 N ARG A 25 5.778 33.716 -2.220 1.00 0.00 N ATOM 405 CA ARG A 25 6.255 35.101 -2.017 1.00 0.00 C ATOM 406 C ARG A 25 5.573 36.071 -3.017 1.00 0.00 C ATOM 407 O ARG A 25 5.406 37.260 -2.722 1.00 0.00 O ATOM 408 CB ARG A 25 7.808 35.138 -2.145 1.00 0.00 C ATOM 409 CG ARG A 25 8.354 34.941 -3.589 1.00 0.00 C ATOM 410 CD ARG A 25 9.726 34.245 -3.644 1.00 0.00 C ATOM 411 NE ARG A 25 10.749 34.903 -2.811 1.00 0.00 N ATOM 412 CZ ARG A 25 11.851 34.291 -2.337 1.00 0.00 C ATOM 413 NH1 ARG A 25 12.075 33.001 -2.582 1.00 0.00 N ATOM 414 NH2 ARG A 25 12.730 34.963 -1.615 1.00 0.00 N ATOM 0 H ARG A 25 6.491 33.094 -2.602 1.00 0.00 H new ATOM 0 HA ARG A 25 5.984 35.434 -1.015 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.166 36.095 -1.765 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.229 34.363 -1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.636 34.354 -4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.431 35.914 -4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.614 33.211 -3.319 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.071 34.219 -4.678 1.00 0.00 H new ATOM 0 HE ARG A 25 10.613 35.887 -2.578 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.407 32.464 -3.135 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.914 32.551 -2.217 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.576 35.951 -1.414 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.563 34.494 -1.259 1.00 0.00 H new ATOM 428 N ARG A 26 5.183 35.529 -4.199 1.00 0.00 N ATOM 429 CA ARG A 26 4.417 36.264 -5.229 1.00 0.00 C ATOM 430 C ARG A 26 3.037 36.710 -4.690 1.00 0.00 C ATOM 431 O ARG A 26 2.708 37.899 -4.717 1.00 0.00 O ATOM 432 CB ARG A 26 4.257 35.362 -6.488 1.00 0.00 C ATOM 433 CG ARG A 26 3.353 35.925 -7.607 1.00 0.00 C ATOM 434 CD ARG A 26 3.220 34.957 -8.798 1.00 0.00 C ATOM 435 NE ARG A 26 2.324 35.495 -9.837 1.00 0.00 N ATOM 436 CZ ARG A 26 2.708 36.124 -10.964 1.00 0.00 C ATOM 437 NH1 ARG A 26 3.988 36.333 -11.234 1.00 0.00 N ATOM 438 NH2 ARG A 26 1.789 36.556 -11.811 1.00 0.00 N ATOM 0 H ARG A 26 5.394 34.566 -4.462 1.00 0.00 H new ATOM 0 HA ARG A 26 4.964 37.167 -5.500 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.246 35.175 -6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.856 34.399 -6.173 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.364 36.134 -7.200 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.761 36.873 -7.957 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.204 34.770 -9.227 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.837 33.998 -8.448 1.00 0.00 H new ATOM 0 HE ARG A 26 1.321 35.380 -9.689 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.705 36.015 -10.582 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.256 36.812 -12.094 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.800 36.412 -11.608 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.069 37.034 -12.668 1.00 0.00 H new ATOM 452 N LEU A 27 2.244 35.746 -4.181 1.00 0.00 N ATOM 453 CA LEU A 27 0.879 36.017 -3.666 1.00 0.00 C ATOM 454 C LEU A 27 0.905 36.545 -2.215 1.00 0.00 C ATOM 455 O LEU A 27 -0.116 36.998 -1.695 1.00 0.00 O ATOM 456 CB LEU A 27 -0.042 34.764 -3.844 1.00 0.00 C ATOM 457 CG LEU A 27 0.481 33.365 -3.360 1.00 0.00 C ATOM 458 CD1 LEU A 27 0.429 33.180 -1.832 1.00 0.00 C ATOM 459 CD2 LEU A 27 -0.258 32.218 -4.077 1.00 0.00 C ATOM 0 H LEU A 27 2.524 34.767 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 27 0.444 36.818 -4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.977 34.965 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.281 34.678 -4.904 1.00 0.00 H new ATOM 0 HG LEU A 27 1.536 33.332 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.806 32.191 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.045 33.940 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.601 33.278 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.125 31.261 -3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.325 32.284 -3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.097 32.297 -5.152 1.00 0.00 H new ATOM 471 N HIS A 28 2.094 36.502 -1.583 1.00 0.00 N ATOM 472 CA HIS A 28 2.352 37.119 -0.261 1.00 0.00 C ATOM 473 C HIS A 28 3.127 38.436 -0.464 1.00 0.00 C ATOM 474 O HIS A 28 3.953 38.821 0.350 1.00 0.00 O ATOM 475 CB HIS A 28 3.109 36.126 0.681 1.00 0.00 C ATOM 476 CG HIS A 28 2.221 35.153 1.432 1.00 0.00 C ATOM 477 ND1 HIS A 28 2.620 34.508 2.584 1.00 0.00 N ATOM 478 CD2 HIS A 28 0.954 34.737 1.202 1.00 0.00 C ATOM 479 CE1 HIS A 28 1.640 33.750 3.025 1.00 0.00 C ATOM 480 NE2 HIS A 28 0.613 33.873 2.209 1.00 0.00 N ATOM 0 H HIS A 28 2.911 36.035 -1.976 1.00 0.00 H new ATOM 0 HA HIS A 28 1.406 37.348 0.230 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.824 35.557 0.086 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.684 36.703 1.405 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.326 35.032 0.375 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.672 33.130 3.909 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -0.287 33.403 2.310 1.00 0.00 H new ATOM 932 N LEU A 58 -3.808 37.036 -2.901 1.00 0.00 N ATOM 933 CA LEU A 58 -3.539 35.641 -3.187 1.00 0.00 C ATOM 934 C LEU A 58 -4.406 35.197 -4.379 1.00 0.00 C ATOM 935 O LEU A 58 -5.637 35.119 -4.269 1.00 0.00 O ATOM 936 CB LEU A 58 -3.778 34.766 -1.930 1.00 0.00 C ATOM 937 CG LEU A 58 -2.757 34.956 -0.754 1.00 0.00 C ATOM 938 CD1 LEU A 58 -2.907 36.314 -0.030 1.00 0.00 C ATOM 939 CD2 LEU A 58 -2.836 33.770 0.234 1.00 0.00 C ATOM 0 HA LEU A 58 -2.491 35.514 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.779 34.974 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.762 33.719 -2.232 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.762 34.969 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.172 36.382 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.745 37.125 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.910 36.394 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.120 33.921 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.842 33.708 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.601 32.844 -0.290 1.00 0.00 H new ATOM 951 N GLY A 59 -3.737 34.961 -5.523 1.00 0.00 N ATOM 952 CA GLY A 59 -4.404 34.629 -6.785 1.00 0.00 C ATOM 953 C GLY A 59 -4.865 33.177 -6.845 1.00 0.00 C ATOM 954 O GLY A 59 -4.208 32.308 -6.279 1.00 0.00 O ATOM 0 H GLY A 59 -2.720 34.996 -5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.264 35.285 -6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.723 34.824 -7.613 1.00 0.00 H new ATOM 958 N GLN A 60 -5.970 32.927 -7.576 1.00 0.00 N ATOM 959 CA GLN A 60 -6.630 31.604 -7.676 1.00 0.00 C ATOM 960 C GLN A 60 -5.676 30.505 -8.187 1.00 0.00 C ATOM 961 O GLN A 60 -5.579 29.427 -7.583 1.00 0.00 O ATOM 962 CB GLN A 60 -7.873 31.714 -8.603 1.00 0.00 C ATOM 963 CG GLN A 60 -8.652 30.397 -8.810 1.00 0.00 C ATOM 964 CD GLN A 60 -9.830 30.520 -9.783 1.00 0.00 C ATOM 965 OE1 GLN A 60 -9.813 31.340 -10.704 1.00 0.00 O ATOM 966 NE2 GLN A 60 -10.838 29.693 -9.611 1.00 0.00 N ATOM 0 H GLN A 60 -6.439 33.649 -8.123 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.938 31.311 -6.672 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.552 32.459 -8.188 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -7.550 32.084 -9.576 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.966 29.635 -9.179 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.024 30.051 -7.846 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.824 29.025 -8.840 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.634 29.719 -10.249 1.00 0.00 H new ATOM 975 N VAL A 61 -4.972 30.803 -9.302 1.00 0.00 N ATOM 976 CA VAL A 61 -3.999 29.872 -9.906 1.00 0.00 C ATOM 977 C VAL A 61 -2.859 29.557 -8.919 1.00 0.00 C ATOM 978 O VAL A 61 -2.422 28.416 -8.837 1.00 0.00 O ATOM 979 CB VAL A 61 -3.424 30.418 -11.274 1.00 0.00 C ATOM 980 CG1 VAL A 61 -2.677 31.762 -11.114 1.00 0.00 C ATOM 981 CG2 VAL A 61 -2.523 29.361 -11.971 1.00 0.00 C ATOM 0 H VAL A 61 -5.062 31.687 -9.803 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.532 28.947 -10.127 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.285 30.610 -11.914 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.304 32.089 -12.085 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.360 32.513 -10.716 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.840 31.633 -10.428 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.144 29.768 -12.909 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.686 29.110 -11.319 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.106 28.463 -12.175 1.00 0.00 H new ATOM 991 N GLY A 62 -2.431 30.579 -8.151 1.00 0.00 N ATOM 992 CA GLY A 62 -1.346 30.437 -7.186 1.00 0.00 C ATOM 993 C GLY A 62 -1.728 29.550 -6.004 1.00 0.00 C ATOM 994 O GLY A 62 -1.020 28.601 -5.691 1.00 0.00 O ATOM 0 H GLY A 62 -2.831 31.516 -8.189 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.473 30.016 -7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.059 31.422 -6.819 1.00 0.00 H new ATOM 998 N GLN A 63 -2.879 29.859 -5.373 1.00 0.00 N ATOM 999 CA GLN A 63 -3.354 29.169 -4.153 1.00 0.00 C ATOM 1000 C GLN A 63 -3.654 27.690 -4.432 1.00 0.00 C ATOM 1001 O GLN A 63 -3.241 26.814 -3.673 1.00 0.00 O ATOM 1002 CB GLN A 63 -4.630 29.847 -3.595 1.00 0.00 C ATOM 1003 CG GLN A 63 -4.468 31.311 -3.169 1.00 0.00 C ATOM 1004 CD GLN A 63 -5.760 31.903 -2.592 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -6.600 32.413 -3.324 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -5.916 31.849 -1.279 1.00 0.00 N ATOM 0 H GLN A 63 -3.508 30.595 -5.694 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.555 29.237 -3.414 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.411 29.792 -4.354 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.979 29.274 -2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.675 31.383 -2.424 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.153 31.903 -4.028 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.198 31.417 -0.697 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.755 32.239 -0.849 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.391 27.432 -5.532 1.00 0.00 N ATOM 1016 CA ASP A 64 -4.805 26.066 -5.920 1.00 0.00 C ATOM 1017 C ASP A 64 -3.634 25.259 -6.496 1.00 0.00 C ATOM 1018 O ASP A 64 -3.677 24.020 -6.472 1.00 0.00 O ATOM 1019 CB ASP A 64 -6.024 26.091 -6.903 1.00 0.00 C ATOM 1020 CG ASP A 64 -7.350 25.729 -6.207 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -7.652 24.522 -6.079 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -8.082 26.642 -5.774 1.00 0.00 O ATOM 0 H ASP A 64 -4.714 28.157 -6.172 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.130 25.559 -5.011 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.109 27.083 -7.346 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.843 25.392 -7.719 1.00 0.00 H new ATOM 1027 N GLU A 65 -2.593 25.947 -7.011 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.376 25.258 -7.457 1.00 0.00 C ATOM 1029 C GLU A 65 -0.577 24.820 -6.237 1.00 0.00 C ATOM 1030 O GLU A 65 -0.149 23.690 -6.188 1.00 0.00 O ATOM 1031 CB GLU A 65 -0.515 26.114 -8.418 1.00 0.00 C ATOM 1032 CG GLU A 65 0.575 25.306 -9.163 1.00 0.00 C ATOM 1033 CD GLU A 65 1.146 26.013 -10.401 1.00 0.00 C ATOM 1034 OE1 GLU A 65 0.341 26.451 -11.259 1.00 0.00 O ATOM 1035 OE2 GLU A 65 2.386 26.085 -10.560 1.00 0.00 O ATOM 0 H GLU A 65 -2.575 26.960 -7.125 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.676 24.383 -8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.167 26.589 -9.151 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.038 26.913 -7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.390 25.093 -8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.156 24.347 -9.467 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.437 25.728 -5.244 1.00 0.00 N ATOM 1043 CA LEU A 66 0.188 25.433 -3.923 1.00 0.00 C ATOM 1044 C LEU A 66 -0.519 24.248 -3.238 1.00 0.00 C ATOM 1045 O LEU A 66 0.128 23.363 -2.699 1.00 0.00 O ATOM 1046 CB LEU A 66 0.147 26.703 -3.002 1.00 0.00 C ATOM 1047 CG LEU A 66 1.388 27.661 -3.054 1.00 0.00 C ATOM 1048 CD1 LEU A 66 1.858 27.919 -4.492 1.00 0.00 C ATOM 1049 CD2 LEU A 66 1.085 28.996 -2.322 1.00 0.00 C ATOM 0 H LEU A 66 -0.755 26.693 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 66 1.230 25.159 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.739 27.282 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.019 26.370 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 66 2.205 27.160 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.719 28.587 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.139 26.974 -4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.050 28.379 -5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.960 29.644 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.240 29.490 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.842 28.792 -1.279 1.00 0.00 H new ATOM 1061 N ARG A 67 -1.853 24.260 -3.302 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.718 23.191 -2.774 1.00 0.00 C ATOM 1063 C ARG A 67 -2.373 21.833 -3.422 1.00 0.00 C ATOM 1064 O ARG A 67 -2.234 20.818 -2.731 1.00 0.00 O ATOM 1065 CB ARG A 67 -4.194 23.574 -3.054 1.00 0.00 C ATOM 1066 CG ARG A 67 -5.239 22.503 -2.693 1.00 0.00 C ATOM 1067 CD ARG A 67 -6.660 22.952 -3.059 1.00 0.00 C ATOM 1068 NE ARG A 67 -7.666 21.926 -2.755 1.00 0.00 N ATOM 1069 CZ ARG A 67 -8.823 21.759 -3.417 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -9.100 22.463 -4.513 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -9.692 20.867 -2.984 1.00 0.00 N ATOM 0 H ARG A 67 -2.376 25.025 -3.729 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.560 23.087 -1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.426 24.484 -2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.294 23.812 -4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.005 21.575 -3.215 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.188 22.290 -1.625 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.901 23.866 -2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.700 23.193 -4.121 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.471 21.291 -1.981 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.428 23.145 -4.865 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.985 22.321 -5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.483 20.312 -2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.574 20.732 -3.479 1.00 0.00 H new ATOM 1085 N ALA A 68 -2.222 21.862 -4.756 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.909 20.679 -5.574 1.00 0.00 C ATOM 1087 C ALA A 68 -0.436 20.244 -5.398 1.00 0.00 C ATOM 1088 O ALA A 68 -0.131 19.050 -5.426 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.226 20.989 -7.048 1.00 0.00 C ATOM 0 H ALA A 68 -2.315 22.718 -5.303 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.526 19.844 -5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.997 20.117 -7.661 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.283 21.235 -7.149 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.623 21.834 -7.380 1.00 0.00 H new ATOM 1095 N ILE A 69 0.461 21.231 -5.188 1.00 0.00 N ATOM 1096 CA ILE A 69 1.911 21.011 -5.025 1.00 0.00 C ATOM 1097 C ILE A 69 2.166 20.302 -3.696 1.00 0.00 C ATOM 1098 O ILE A 69 2.833 19.279 -3.657 1.00 0.00 O ATOM 1099 CB ILE A 69 2.727 22.373 -5.095 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.777 22.941 -6.555 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.157 22.214 -4.536 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.377 24.335 -6.677 1.00 0.00 C ATOM 0 H ILE A 69 0.194 22.213 -5.126 1.00 0.00 H new ATOM 0 HA ILE A 69 2.259 20.387 -5.848 1.00 0.00 H new ATOM 0 HB ILE A 69 2.195 23.088 -4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.354 22.257 -7.177 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.764 22.960 -6.957 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.681 23.167 -4.602 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.107 21.898 -3.494 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.693 21.464 -5.117 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.370 24.644 -7.722 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.788 25.037 -6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.403 24.323 -6.309 1.00 0.00 H new ATOM 1114 N ASP A 70 1.595 20.869 -2.624 1.00 0.00 N ATOM 1115 CA ASP A 70 1.673 20.322 -1.258 1.00 0.00 C ATOM 1116 C ASP A 70 0.940 18.978 -1.141 1.00 0.00 C ATOM 1117 O ASP A 70 1.286 18.164 -0.285 1.00 0.00 O ATOM 1118 CB ASP A 70 1.109 21.350 -0.238 1.00 0.00 C ATOM 1119 CG ASP A 70 2.094 22.496 0.047 1.00 0.00 C ATOM 1120 OD1 ASP A 70 3.074 22.261 0.781 1.00 0.00 O ATOM 1121 OD2 ASP A 70 1.923 23.617 -0.480 1.00 0.00 O ATOM 0 H ASP A 70 1.057 21.734 -2.680 1.00 0.00 H new ATOM 0 HA ASP A 70 2.723 20.137 -1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.176 21.764 -0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.871 20.839 0.695 1.00 0.00 H new ATOM 1126 N ALA A 71 -0.077 18.764 -2.001 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.769 17.462 -2.115 1.00 0.00 C ATOM 1128 C ALA A 71 0.186 16.409 -2.706 1.00 0.00 C ATOM 1129 O ALA A 71 0.269 15.284 -2.213 1.00 0.00 O ATOM 1130 CB ALA A 71 -2.047 17.588 -2.970 1.00 0.00 C ATOM 0 H ALA A 71 -0.439 19.480 -2.630 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.070 17.140 -1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.537 16.617 -3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.725 18.305 -2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.783 17.932 -3.970 1.00 0.00 H new ATOM 1136 N ALA A 72 0.939 16.827 -3.741 1.00 0.00 N ATOM 1137 CA ALA A 72 1.927 15.979 -4.430 1.00 0.00 C ATOM 1138 C ALA A 72 3.140 15.683 -3.527 1.00 0.00 C ATOM 1139 O ALA A 72 3.633 14.559 -3.503 1.00 0.00 O ATOM 1140 CB ALA A 72 2.370 16.648 -5.735 1.00 0.00 C ATOM 0 H ALA A 72 0.877 17.770 -4.125 1.00 0.00 H new ATOM 0 HA ALA A 72 1.455 15.025 -4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.101 16.015 -6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.505 16.790 -6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.820 17.616 -5.513 1.00 0.00 H new ATOM 1146 N LEU A 73 3.574 16.706 -2.771 1.00 0.00 N ATOM 1147 CA LEU A 73 4.723 16.623 -1.840 1.00 0.00 C ATOM 1148 C LEU A 73 4.363 15.797 -0.596 1.00 0.00 C ATOM 1149 O LEU A 73 5.236 15.174 0.010 1.00 0.00 O ATOM 1150 CB LEU A 73 5.192 18.052 -1.436 1.00 0.00 C ATOM 1151 CG LEU A 73 5.862 18.890 -2.574 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.080 20.353 -2.143 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.189 18.247 -3.039 1.00 0.00 C ATOM 0 H LEU A 73 3.135 17.626 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 73 5.544 16.118 -2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.331 18.605 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.898 17.963 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 73 5.177 18.892 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.547 20.906 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.120 20.808 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.728 20.381 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.629 18.853 -3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.880 18.190 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.994 17.243 -3.417 1.00 0.00 H new ATOM 1165 N ALA A 74 3.064 15.809 -0.226 1.00 0.00 N ATOM 1166 CA ALA A 74 2.515 14.960 0.854 1.00 0.00 C ATOM 1167 C ALA A 74 2.515 13.487 0.421 1.00 0.00 C ATOM 1168 O ALA A 74 2.742 12.597 1.244 1.00 0.00 O ATOM 1169 CB ALA A 74 1.098 15.409 1.248 1.00 0.00 C ATOM 0 H ALA A 74 2.366 16.408 -0.668 1.00 0.00 H new ATOM 0 HA ALA A 74 3.153 15.069 1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.721 14.767 2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.127 16.441 1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.440 15.338 0.382 1.00 0.00 H new ATOM 1175 N ARG A 75 2.260 13.250 -0.889 1.00 0.00 N ATOM 1176 CA ARG A 75 2.369 11.911 -1.497 1.00 0.00 C ATOM 1177 C ARG A 75 3.821 11.417 -1.451 1.00 0.00 C ATOM 1178 O ARG A 75 4.065 10.269 -1.112 1.00 0.00 O ATOM 1179 CB ARG A 75 1.874 11.883 -2.970 1.00 0.00 C ATOM 1180 CG ARG A 75 0.381 12.170 -3.171 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.076 11.989 -4.635 1.00 0.00 C ATOM 1182 NE ARG A 75 0.628 12.887 -5.575 1.00 0.00 N ATOM 1183 CZ ARG A 75 0.220 13.163 -6.829 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -0.874 12.591 -7.336 1.00 0.00 N ATOM 1185 NH2 ARG A 75 0.916 14.012 -7.578 1.00 0.00 N ATOM 0 H ARG A 75 1.976 13.978 -1.545 1.00 0.00 H new ATOM 0 HA ARG A 75 1.727 11.253 -0.911 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.447 12.614 -3.541 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.098 10.903 -3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.200 11.507 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.167 13.190 -2.853 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.090 10.955 -4.936 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.149 12.172 -4.700 1.00 0.00 H new ATOM 0 HE ARG A 75 1.487 13.331 -5.250 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.414 11.935 -6.772 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.170 12.810 -8.287 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.756 14.452 -7.203 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.610 14.223 -8.528 1.00 0.00 H new ATOM 1199 N ILE A 76 4.779 12.297 -1.801 1.00 0.00 N ATOM 1200 CA ILE A 76 6.215 11.948 -1.805 1.00 0.00 C ATOM 1201 C ILE A 76 6.673 11.608 -0.372 1.00 0.00 C ATOM 1202 O ILE A 76 7.308 10.576 -0.147 1.00 0.00 O ATOM 1203 CB ILE A 76 7.108 13.103 -2.409 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.608 13.477 -3.839 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.603 12.690 -2.447 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.292 14.658 -4.501 1.00 0.00 C ATOM 0 H ILE A 76 4.585 13.257 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 76 6.343 11.076 -2.447 1.00 0.00 H new ATOM 0 HB ILE A 76 7.018 13.977 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.729 12.606 -4.483 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.540 13.687 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.195 13.503 -2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.947 12.476 -1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.719 11.800 -3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.861 14.822 -5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.150 15.550 -3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.358 14.452 -4.600 1.00 0.00 H new ATOM 1218 N ALA A 77 6.261 12.464 0.585 1.00 0.00 N ATOM 1219 CA ALA A 77 6.580 12.324 2.019 1.00 0.00 C ATOM 1220 C ALA A 77 5.966 11.041 2.618 1.00 0.00 C ATOM 1221 O ALA A 77 6.519 10.471 3.558 1.00 0.00 O ATOM 1222 CB ALA A 77 6.106 13.573 2.791 1.00 0.00 C ATOM 0 H ALA A 77 5.689 13.283 0.380 1.00 0.00 H new ATOM 0 HA ALA A 77 7.662 12.238 2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.346 13.460 3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.608 14.457 2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.028 13.686 2.674 1.00 0.00 H new ATOM 1228 N SER A 78 4.823 10.599 2.051 1.00 0.00 N ATOM 1229 CA SER A 78 4.123 9.362 2.459 1.00 0.00 C ATOM 1230 C SER A 78 4.652 8.133 1.675 1.00 0.00 C ATOM 1231 O SER A 78 4.361 6.988 2.042 1.00 0.00 O ATOM 1232 CB SER A 78 2.597 9.536 2.245 1.00 0.00 C ATOM 1233 OG SER A 78 1.842 8.412 2.691 1.00 0.00 O ATOM 0 H SER A 78 4.357 11.095 1.291 1.00 0.00 H new ATOM 0 HA SER A 78 4.318 9.182 3.516 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.260 10.427 2.775 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.400 9.702 1.186 1.00 0.00 H new ATOM 0 HG SER A 78 2.433 7.636 2.781 1.00 0.00 H new ATOM 1239 N GLY A 79 5.438 8.386 0.604 1.00 0.00 N ATOM 1240 CA GLY A 79 5.966 7.320 -0.260 1.00 0.00 C ATOM 1241 C GLY A 79 4.899 6.708 -1.168 1.00 0.00 C ATOM 1242 O GLY A 79 5.025 5.560 -1.593 1.00 0.00 O ATOM 0 H GLY A 79 5.718 9.325 0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.771 7.722 -0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.400 6.537 0.362 1.00 0.00 H new ATOM 1246 N THR A 80 3.856 7.497 -1.465 1.00 0.00 N ATOM 1247 CA THR A 80 2.725 7.103 -2.321 1.00 0.00 C ATOM 1248 C THR A 80 2.567 8.102 -3.504 1.00 0.00 C ATOM 1249 O THR A 80 1.477 8.279 -4.045 1.00 0.00 O ATOM 1250 CB THR A 80 1.414 7.021 -1.446 1.00 0.00 C ATOM 1251 OG1 THR A 80 0.326 6.441 -2.190 1.00 0.00 O ATOM 1252 CG2 THR A 80 0.977 8.395 -0.893 1.00 0.00 C ATOM 0 H THR A 80 3.773 8.449 -1.109 1.00 0.00 H new ATOM 0 HA THR A 80 2.913 6.120 -2.752 1.00 0.00 H new ATOM 0 HB THR A 80 1.661 6.381 -0.599 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.473 6.401 -1.624 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.070 8.277 -0.299 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.770 8.804 -0.267 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.782 9.075 -1.722 1.00 0.00 H new ATOM 1260 N PHE A 81 3.671 8.774 -3.901 1.00 0.00 N ATOM 1261 CA PHE A 81 3.681 9.604 -5.123 1.00 0.00 C ATOM 1262 C PHE A 81 3.509 8.717 -6.371 1.00 0.00 C ATOM 1263 O PHE A 81 4.083 7.625 -6.442 1.00 0.00 O ATOM 1264 CB PHE A 81 4.972 10.446 -5.219 1.00 0.00 C ATOM 1265 CG PHE A 81 4.943 11.488 -6.349 1.00 0.00 C ATOM 1266 CD1 PHE A 81 4.184 12.657 -6.221 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.660 11.301 -7.527 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.153 13.596 -7.232 1.00 0.00 C ATOM 1269 CE2 PHE A 81 5.625 12.242 -8.533 1.00 0.00 C ATOM 1270 CZ PHE A 81 4.874 13.390 -8.388 1.00 0.00 C ATOM 0 H PHE A 81 4.558 8.758 -3.397 1.00 0.00 H new ATOM 0 HA PHE A 81 2.841 10.297 -5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.135 10.956 -4.270 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.820 9.779 -5.372 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.615 12.827 -5.319 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.252 10.407 -7.654 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.563 14.493 -7.117 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.189 12.080 -9.440 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.851 14.125 -9.179 1.00 0.00 H new ATOM 1280 N GLY A 82 2.733 9.216 -7.346 1.00 0.00 N ATOM 1281 CA GLY A 82 2.321 8.418 -8.499 1.00 0.00 C ATOM 1282 C GLY A 82 1.094 7.571 -8.183 1.00 0.00 C ATOM 1283 O GLY A 82 0.896 6.513 -8.774 1.00 0.00 O ATOM 0 H GLY A 82 2.380 10.173 -7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.103 9.077 -9.339 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.142 7.770 -8.807 1.00 0.00 H new ATOM 1287 N THR A 83 0.272 8.058 -7.233 1.00 0.00 N ATOM 1288 CA THR A 83 -1.010 7.435 -6.866 1.00 0.00 C ATOM 1289 C THR A 83 -2.175 8.385 -7.194 1.00 0.00 C ATOM 1290 O THR A 83 -2.199 9.544 -6.747 1.00 0.00 O ATOM 1291 CB THR A 83 -1.045 7.043 -5.352 1.00 0.00 C ATOM 1292 OG1 THR A 83 -0.017 6.075 -5.087 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.411 6.478 -4.890 1.00 0.00 C ATOM 0 H THR A 83 0.482 8.900 -6.697 1.00 0.00 H new ATOM 0 HA THR A 83 -1.116 6.521 -7.450 1.00 0.00 H new ATOM 0 HB THR A 83 -0.877 7.960 -4.787 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.217 6.099 -4.136 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.362 6.228 -3.830 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.187 7.226 -5.050 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.647 5.582 -5.464 1.00 0.00 H new ATOM 1301 N CYS A 84 -3.101 7.889 -8.039 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.356 8.564 -8.377 1.00 0.00 C ATOM 1303 C CYS A 84 -5.236 8.619 -7.122 1.00 0.00 C ATOM 1304 O CYS A 84 -5.909 7.643 -6.799 1.00 0.00 O ATOM 1305 CB CYS A 84 -5.052 7.819 -9.549 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.399 8.740 -10.350 1.00 0.00 S ATOM 0 H CYS A 84 -2.989 6.992 -8.511 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.170 9.585 -8.710 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.302 7.574 -10.301 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.449 6.875 -9.175 1.00 0.00 H new ATOM 0 HG CYS A 84 -7.427 7.959 -10.504 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.174 9.763 -6.405 1.00 0.00 N ATOM 1312 CA VAL A 85 -5.784 9.935 -5.056 1.00 0.00 C ATOM 1313 C VAL A 85 -7.322 9.794 -5.092 1.00 0.00 C ATOM 1314 O VAL A 85 -7.940 9.347 -4.129 1.00 0.00 O ATOM 1315 CB VAL A 85 -5.385 11.327 -4.413 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -3.849 11.526 -4.421 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -6.104 12.522 -5.093 1.00 0.00 C ATOM 0 H VAL A 85 -4.699 10.600 -6.742 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.385 9.134 -4.433 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.722 11.302 -3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.605 12.490 -3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.376 10.729 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.484 11.500 -5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.796 13.452 -4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.839 12.552 -6.150 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.183 12.403 -4.992 1.00 0.00 H new ATOM 1327 N LYS A 86 -7.902 10.165 -6.242 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.355 10.123 -6.493 1.00 0.00 C ATOM 1329 C LYS A 86 -9.850 8.667 -6.652 1.00 0.00 C ATOM 1330 O LYS A 86 -11.029 8.372 -6.469 1.00 0.00 O ATOM 1331 CB LYS A 86 -9.641 10.945 -7.780 1.00 0.00 C ATOM 1332 CG LYS A 86 -11.124 11.294 -8.043 1.00 0.00 C ATOM 1333 CD LYS A 86 -11.301 12.165 -9.314 1.00 0.00 C ATOM 1334 CE LYS A 86 -12.738 12.688 -9.501 1.00 0.00 C ATOM 1335 NZ LYS A 86 -13.725 11.594 -9.668 1.00 0.00 N ATOM 0 H LYS A 86 -7.368 10.509 -7.040 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.890 10.551 -5.645 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.073 11.874 -7.728 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.262 10.387 -8.636 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.699 10.374 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.530 11.824 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.617 13.012 -9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.018 11.580 -10.189 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.015 13.294 -8.639 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.773 13.340 -10.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.675 11.999 -9.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.479 11.029 -10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.714 10.985 -8.825 1.00 0.00 H new ATOM 1349 N CYS A 87 -8.909 7.771 -6.977 1.00 0.00 N ATOM 1350 CA CYS A 87 -9.203 6.394 -7.395 1.00 0.00 C ATOM 1351 C CYS A 87 -8.575 5.351 -6.452 1.00 0.00 C ATOM 1352 O CYS A 87 -8.977 4.181 -6.469 1.00 0.00 O ATOM 1353 CB CYS A 87 -8.653 6.195 -8.817 1.00 0.00 C ATOM 1354 SG CYS A 87 -8.975 7.580 -9.934 1.00 0.00 S ATOM 0 H CYS A 87 -7.912 7.984 -6.957 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.283 6.248 -7.364 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.577 6.032 -8.759 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -9.090 5.291 -9.241 1.00 0.00 H new ATOM 0 HG CYS A 87 -8.070 8.497 -9.760 1.00 0.00 H new ATOM 1359 N GLY A 88 -7.594 5.793 -5.629 1.00 0.00 N ATOM 1360 CA GLY A 88 -6.711 4.876 -4.904 1.00 0.00 C ATOM 1361 C GLY A 88 -5.982 3.934 -5.861 1.00 0.00 C ATOM 1362 O GLY A 88 -5.959 2.715 -5.656 1.00 0.00 O ATOM 0 H GLY A 88 -7.402 6.780 -5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.983 5.448 -4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.295 4.293 -4.191 1.00 0.00 H new ATOM 1366 N LYS A 89 -5.411 4.524 -6.928 1.00 0.00 N ATOM 1367 CA LYS A 89 -4.818 3.794 -8.078 1.00 0.00 C ATOM 1368 C LYS A 89 -3.503 4.468 -8.512 1.00 0.00 C ATOM 1369 O LYS A 89 -2.881 5.131 -7.708 1.00 0.00 O ATOM 1370 CB LYS A 89 -5.850 3.733 -9.245 1.00 0.00 C ATOM 1371 CG LYS A 89 -6.965 2.687 -9.051 1.00 0.00 C ATOM 1372 CD LYS A 89 -7.915 2.582 -10.265 1.00 0.00 C ATOM 1373 CE LYS A 89 -8.801 1.335 -10.192 1.00 0.00 C ATOM 1374 NZ LYS A 89 -9.725 1.246 -11.351 1.00 0.00 N ATOM 0 H LYS A 89 -5.345 5.537 -7.022 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.580 2.772 -7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.306 4.716 -9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.320 3.514 -10.172 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.513 1.713 -8.866 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.545 2.943 -8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.543 3.471 -10.312 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.329 2.557 -11.184 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.173 0.445 -10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.378 1.353 -9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.308 0.389 -11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.341 2.083 -11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.174 1.203 -12.232 1.00 0.00 H new ATOM 1388 N ARG A 90 -3.073 4.256 -9.771 1.00 0.00 N ATOM 1389 CA ARG A 90 -1.792 4.782 -10.314 1.00 0.00 C ATOM 1390 C ARG A 90 -1.986 6.101 -11.131 1.00 0.00 C ATOM 1391 O ARG A 90 -3.019 6.291 -11.774 1.00 0.00 O ATOM 1392 CB ARG A 90 -1.181 3.661 -11.214 1.00 0.00 C ATOM 1393 CG ARG A 90 0.138 4.009 -11.940 1.00 0.00 C ATOM 1394 CD ARG A 90 1.358 4.115 -11.003 1.00 0.00 C ATOM 1395 NE ARG A 90 2.538 4.602 -11.738 1.00 0.00 N ATOM 1396 CZ ARG A 90 3.815 4.277 -11.489 1.00 0.00 C ATOM 1397 NH1 ARG A 90 4.140 3.452 -10.500 1.00 0.00 N ATOM 1398 NH2 ARG A 90 4.768 4.790 -12.248 1.00 0.00 N ATOM 0 H ARG A 90 -3.605 3.711 -10.450 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.125 5.038 -9.491 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.009 2.781 -10.595 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.921 3.383 -11.964 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.337 3.249 -12.695 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.013 4.955 -12.466 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.132 4.791 -10.179 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.573 3.140 -10.566 1.00 0.00 H new ATOM 0 HE ARG A 90 2.368 5.247 -12.509 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.411 3.051 -9.910 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.119 3.220 -10.330 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.527 5.423 -13.010 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.744 4.552 -12.071 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.984 7.020 -11.063 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.848 8.160 -12.020 1.00 0.00 C ATOM 1414 C ILE A 91 0.128 7.723 -13.140 1.00 0.00 C ATOM 1415 O ILE A 91 1.071 6.970 -12.872 1.00 0.00 O ATOM 1416 CB ILE A 91 -0.244 9.488 -11.376 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.943 9.916 -10.051 1.00 0.00 C ATOM 1418 CG2 ILE A 91 -0.296 10.659 -12.392 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -2.250 10.666 -10.200 1.00 0.00 C ATOM 0 H ILE A 91 -0.253 6.995 -10.352 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.853 8.392 -12.371 1.00 0.00 H new ATOM 0 HB ILE A 91 0.790 9.252 -11.126 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.126 9.022 -9.455 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.252 10.540 -9.484 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.120 11.556 -11.934 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.286 10.399 -13.277 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.331 10.845 -12.680 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.643 10.911 -9.213 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.080 11.585 -10.762 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.969 10.043 -10.732 1.00 0.00 H new ATOM 1431 N SER A 92 -0.068 8.238 -14.360 1.00 0.00 N ATOM 1432 CA SER A 92 0.858 8.000 -15.483 1.00 0.00 C ATOM 1433 C SER A 92 2.123 8.854 -15.291 1.00 0.00 C ATOM 1434 O SER A 92 2.044 9.981 -14.785 1.00 0.00 O ATOM 1435 CB SER A 92 0.183 8.355 -16.826 1.00 0.00 C ATOM 1436 OG SER A 92 -1.043 7.658 -16.980 1.00 0.00 O ATOM 0 H SER A 92 -0.865 8.827 -14.599 1.00 0.00 H new ATOM 0 HA SER A 92 1.129 6.944 -15.502 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.003 9.429 -16.874 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.852 8.107 -17.650 1.00 0.00 H new ATOM 0 HG SER A 92 -1.452 7.901 -17.837 1.00 0.00 H new ATOM 1442 N GLU A 93 3.279 8.310 -15.692 1.00 0.00 N ATOM 1443 CA GLU A 93 4.557 9.036 -15.672 1.00 0.00 C ATOM 1444 C GLU A 93 4.488 10.268 -16.598 1.00 0.00 C ATOM 1445 O GLU A 93 5.027 11.321 -16.274 1.00 0.00 O ATOM 1446 CB GLU A 93 5.706 8.098 -16.113 1.00 0.00 C ATOM 1447 CG GLU A 93 7.106 8.744 -16.048 1.00 0.00 C ATOM 1448 CD GLU A 93 8.210 7.843 -16.609 1.00 0.00 C ATOM 1449 OE1 GLU A 93 8.542 6.832 -15.964 1.00 0.00 O ATOM 1450 OE2 GLU A 93 8.754 8.139 -17.698 1.00 0.00 O ATOM 0 H GLU A 93 3.356 7.354 -16.040 1.00 0.00 H new ATOM 0 HA GLU A 93 4.751 9.377 -14.655 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.698 7.209 -15.482 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.518 7.766 -17.134 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.093 9.682 -16.604 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.338 8.991 -15.012 1.00 0.00 H new ATOM 1457 N ASP A 94 3.795 10.098 -17.746 1.00 0.00 N ATOM 1458 CA ASP A 94 3.574 11.170 -18.746 1.00 0.00 C ATOM 1459 C ASP A 94 2.772 12.334 -18.150 1.00 0.00 C ATOM 1460 O ASP A 94 3.047 13.507 -18.433 1.00 0.00 O ATOM 1461 CB ASP A 94 2.853 10.606 -19.996 1.00 0.00 C ATOM 1462 CG ASP A 94 3.668 9.504 -20.682 1.00 0.00 C ATOM 1463 OD1 ASP A 94 4.626 9.828 -21.417 1.00 0.00 O ATOM 1464 OD2 ASP A 94 3.382 8.308 -20.465 1.00 0.00 O ATOM 0 H ASP A 94 3.370 9.208 -18.008 1.00 0.00 H new ATOM 0 HA ASP A 94 4.550 11.552 -19.044 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.880 10.209 -19.705 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.669 11.414 -20.704 1.00 0.00 H new ATOM 1469 N ARG A 95 1.791 11.975 -17.311 1.00 0.00 N ATOM 1470 CA ARG A 95 0.972 12.937 -16.563 1.00 0.00 C ATOM 1471 C ARG A 95 1.845 13.726 -15.566 1.00 0.00 C ATOM 1472 O ARG A 95 1.679 14.929 -15.428 1.00 0.00 O ATOM 1473 CB ARG A 95 -0.172 12.189 -15.817 1.00 0.00 C ATOM 1474 CG ARG A 95 -1.077 13.075 -14.930 1.00 0.00 C ATOM 1475 CD ARG A 95 -1.964 14.032 -15.737 1.00 0.00 C ATOM 1476 NE ARG A 95 -2.828 14.856 -14.876 1.00 0.00 N ATOM 1477 CZ ARG A 95 -3.634 15.841 -15.311 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -3.727 16.138 -16.602 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -4.340 16.536 -14.441 1.00 0.00 N ATOM 0 H ARG A 95 1.542 11.002 -17.131 1.00 0.00 H new ATOM 0 HA ARG A 95 0.530 13.646 -17.263 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.796 11.687 -16.556 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.271 11.413 -15.193 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.710 12.435 -14.315 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.453 13.655 -14.250 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.334 14.682 -16.344 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.584 13.456 -16.425 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.814 14.666 -13.874 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.181 15.615 -17.286 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.345 16.889 -16.909 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.273 16.325 -13.445 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.953 17.284 -14.764 1.00 0.00 H new ATOM 1493 N LEU A 96 2.788 13.027 -14.906 1.00 0.00 N ATOM 1494 CA LEU A 96 3.643 13.613 -13.848 1.00 0.00 C ATOM 1495 C LEU A 96 4.795 14.469 -14.417 1.00 0.00 C ATOM 1496 O LEU A 96 5.215 15.433 -13.789 1.00 0.00 O ATOM 1497 CB LEU A 96 4.209 12.497 -12.932 1.00 0.00 C ATOM 1498 CG LEU A 96 3.149 11.736 -12.082 1.00 0.00 C ATOM 1499 CD1 LEU A 96 3.768 10.542 -11.331 1.00 0.00 C ATOM 1500 CD2 LEU A 96 2.410 12.692 -11.109 1.00 0.00 C ATOM 0 H LEU A 96 2.981 12.042 -15.088 1.00 0.00 H new ATOM 0 HA LEU A 96 3.009 14.279 -13.263 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.741 11.775 -13.552 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.942 12.939 -12.258 1.00 0.00 H new ATOM 0 HG LEU A 96 2.410 11.334 -12.775 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.996 10.038 -10.750 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.196 9.843 -12.049 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.551 10.899 -10.662 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.677 12.128 -10.531 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.131 13.151 -10.432 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.902 13.470 -11.679 1.00 0.00 H new ATOM 1512 N LYS A 97 5.315 14.099 -15.594 1.00 0.00 N ATOM 1513 CA LYS A 97 6.418 14.844 -16.241 1.00 0.00 C ATOM 1514 C LYS A 97 5.879 16.141 -16.874 1.00 0.00 C ATOM 1515 O LYS A 97 6.606 17.128 -17.002 1.00 0.00 O ATOM 1516 CB LYS A 97 7.162 13.954 -17.281 1.00 0.00 C ATOM 1517 CG LYS A 97 6.383 13.652 -18.583 1.00 0.00 C ATOM 1518 CD LYS A 97 7.095 12.611 -19.484 1.00 0.00 C ATOM 1519 CE LYS A 97 7.332 11.269 -18.775 1.00 0.00 C ATOM 1520 NZ LYS A 97 7.966 10.257 -19.657 1.00 0.00 N ATOM 0 H LYS A 97 4.994 13.288 -16.123 1.00 0.00 H new ATOM 0 HA LYS A 97 7.150 15.120 -15.481 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.100 14.443 -17.545 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.419 13.008 -16.805 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.389 13.285 -18.329 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.248 14.578 -19.143 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.496 12.442 -20.379 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.052 13.016 -19.813 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.965 11.431 -17.902 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.380 10.882 -18.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.287 9.450 -19.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.275 9.929 -20.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.781 10.682 -20.144 1.00 0.00 H new ATOM 1534 N ALA A 98 4.590 16.108 -17.267 1.00 0.00 N ATOM 1535 CA ALA A 98 3.863 17.284 -17.768 1.00 0.00 C ATOM 1536 C ALA A 98 3.441 18.196 -16.596 1.00 0.00 C ATOM 1537 O ALA A 98 3.693 19.402 -16.608 1.00 0.00 O ATOM 1538 CB ALA A 98 2.642 16.816 -18.580 1.00 0.00 C ATOM 0 H ALA A 98 4.024 15.259 -17.244 1.00 0.00 H new ATOM 0 HA ALA A 98 4.514 17.868 -18.419 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.099 17.684 -18.954 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.976 16.207 -19.420 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.985 16.225 -17.942 1.00 0.00 H new ATOM 1544 N VAL A 99 2.823 17.581 -15.578 1.00 0.00 N ATOM 1545 CA VAL A 99 2.309 18.260 -14.375 1.00 0.00 C ATOM 1546 C VAL A 99 2.493 17.325 -13.143 1.00 0.00 C ATOM 1547 O VAL A 99 1.701 16.410 -12.933 1.00 0.00 O ATOM 1548 CB VAL A 99 0.795 18.722 -14.564 1.00 0.00 C ATOM 1549 CG1 VAL A 99 -0.108 17.614 -15.167 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.198 19.265 -13.240 1.00 0.00 C ATOM 0 H VAL A 99 2.662 16.574 -15.566 1.00 0.00 H new ATOM 0 HA VAL A 99 2.880 19.173 -14.205 1.00 0.00 H new ATOM 0 HB VAL A 99 0.817 19.535 -15.290 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.126 17.990 -15.271 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.274 17.326 -16.146 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.108 16.746 -14.508 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.835 19.571 -13.405 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.228 18.484 -12.480 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.781 20.122 -12.903 1.00 0.00 H new ATOM 1560 N PRO A 100 3.599 17.494 -12.338 1.00 0.00 N ATOM 1561 CA PRO A 100 3.866 16.633 -11.152 1.00 0.00 C ATOM 1562 C PRO A 100 2.940 16.928 -9.955 1.00 0.00 C ATOM 1563 O PRO A 100 2.720 16.053 -9.102 1.00 0.00 O ATOM 1564 CB PRO A 100 5.351 16.934 -10.816 1.00 0.00 C ATOM 1565 CG PRO A 100 5.605 18.313 -11.354 1.00 0.00 C ATOM 1566 CD PRO A 100 4.692 18.485 -12.557 1.00 0.00 C ATOM 0 HA PRO A 100 3.673 15.582 -11.367 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.528 16.892 -9.741 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.015 16.203 -11.277 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.395 19.069 -10.597 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.650 18.431 -11.641 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.301 19.501 -12.617 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.223 18.292 -13.489 1.00 0.00 H new ATOM 1574 N TYR A 101 2.389 18.156 -9.908 1.00 0.00 N ATOM 1575 CA TYR A 101 1.535 18.603 -8.791 1.00 0.00 C ATOM 1576 C TYR A 101 0.083 18.124 -8.927 1.00 0.00 C ATOM 1577 O TYR A 101 -0.717 18.377 -8.033 1.00 0.00 O ATOM 1578 CB TYR A 101 1.602 20.146 -8.599 1.00 0.00 C ATOM 1579 CG TYR A 101 1.250 21.024 -9.814 1.00 0.00 C ATOM 1580 CD1 TYR A 101 2.234 21.444 -10.718 1.00 0.00 C ATOM 1581 CD2 TYR A 101 -0.058 21.476 -10.029 1.00 0.00 C ATOM 1582 CE1 TYR A 101 1.922 22.271 -11.781 1.00 0.00 C ATOM 1583 CE2 TYR A 101 -0.372 22.295 -11.094 1.00 0.00 C ATOM 1584 CZ TYR A 101 0.620 22.692 -11.966 1.00 0.00 C ATOM 1585 OH TYR A 101 0.308 23.525 -13.020 1.00 0.00 O ATOM 0 H TYR A 101 2.521 18.859 -10.635 1.00 0.00 H new ATOM 0 HA TYR A 101 1.938 18.135 -7.893 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.931 20.414 -7.783 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.612 20.403 -8.278 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.254 21.116 -10.582 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.839 21.177 -9.345 1.00 0.00 H new ATOM 0 HE1 TYR A 101 2.695 22.587 -12.465 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -1.390 22.624 -11.244 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.651 23.725 -13.006 1.00 0.00 H new ATOM 1595 N THR A 102 -0.258 17.421 -10.021 1.00 0.00 N ATOM 1596 CA THR A 102 -1.632 16.934 -10.224 1.00 0.00 C ATOM 1597 C THR A 102 -1.977 15.814 -9.197 1.00 0.00 C ATOM 1598 O THR A 102 -1.249 14.819 -9.098 1.00 0.00 O ATOM 1599 CB THR A 102 -1.868 16.434 -11.687 1.00 0.00 C ATOM 1600 OG1 THR A 102 -3.256 16.117 -11.872 1.00 0.00 O ATOM 1601 CG2 THR A 102 -1.006 15.211 -12.047 1.00 0.00 C ATOM 0 H THR A 102 0.391 17.180 -10.770 1.00 0.00 H new ATOM 0 HA THR A 102 -2.302 17.778 -10.059 1.00 0.00 H new ATOM 0 HB THR A 102 -1.570 17.244 -12.353 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.368 15.144 -11.901 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.213 14.909 -13.074 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.049 15.468 -11.950 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.242 14.388 -11.373 1.00 0.00 H new ATOM 1609 N PRO A 103 -3.055 15.983 -8.367 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.527 14.913 -7.459 1.00 0.00 C ATOM 1611 C PRO A 103 -4.203 13.755 -8.237 1.00 0.00 C ATOM 1612 O PRO A 103 -4.172 12.589 -7.803 1.00 0.00 O ATOM 1613 CB PRO A 103 -4.520 15.653 -6.520 1.00 0.00 C ATOM 1614 CG PRO A 103 -5.018 16.815 -7.328 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.860 17.234 -8.213 1.00 0.00 C ATOM 0 HA PRO A 103 -2.718 14.429 -6.912 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.340 15.001 -6.218 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.027 15.988 -5.608 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.884 16.532 -7.926 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.331 17.634 -6.681 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.208 17.607 -9.176 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.275 18.032 -7.755 1.00 0.00 H new ATOM 1623 N PHE A 104 -4.777 14.092 -9.411 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.568 13.156 -10.232 1.00 0.00 C ATOM 1625 C PHE A 104 -4.761 12.686 -11.450 1.00 0.00 C ATOM 1626 O PHE A 104 -3.874 13.385 -11.944 1.00 0.00 O ATOM 1627 CB PHE A 104 -6.892 13.821 -10.718 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.616 14.637 -9.646 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -8.016 14.047 -8.454 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -7.895 15.990 -9.834 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -8.667 14.775 -7.483 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -8.550 16.722 -8.860 1.00 0.00 C ATOM 1633 CZ PHE A 104 -8.938 16.113 -7.685 1.00 0.00 C ATOM 0 H PHE A 104 -4.704 15.025 -9.816 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.810 12.296 -9.607 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.669 14.471 -11.564 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.564 13.043 -11.082 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.813 13.000 -8.286 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.596 16.473 -10.752 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.966 14.298 -6.561 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.757 17.770 -9.020 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.453 16.682 -6.925 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.087 11.480 -11.914 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.585 10.932 -13.179 1.00 0.00 C ATOM 1645 C CYS A 105 -5.269 11.669 -14.345 1.00 0.00 C ATOM 1646 O CYS A 105 -6.357 12.211 -14.151 1.00 0.00 O ATOM 1647 CB CYS A 105 -4.931 9.436 -13.222 1.00 0.00 C ATOM 1648 SG CYS A 105 -6.724 9.177 -13.231 1.00 0.00 S ATOM 0 H CYS A 105 -5.714 10.847 -11.418 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.506 11.062 -13.261 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.491 8.984 -14.111 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.493 8.934 -12.359 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.124 8.872 -12.032 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.644 11.661 -15.533 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.157 12.333 -16.751 1.00 0.00 C ATOM 1655 C GLN A 106 -6.628 11.952 -17.053 1.00 0.00 C ATOM 1656 O GLN A 106 -7.435 12.806 -17.406 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.255 11.956 -17.963 1.00 0.00 C ATOM 1658 CG GLN A 106 -4.591 12.687 -19.278 1.00 0.00 C ATOM 1659 CD GLN A 106 -3.794 12.162 -20.478 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -4.245 11.264 -21.191 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -2.598 12.699 -20.688 1.00 0.00 N ATOM 0 H GLN A 106 -3.756 11.183 -15.683 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.129 13.409 -16.578 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.217 12.166 -17.703 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.330 10.882 -18.133 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.656 12.582 -19.483 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.393 13.752 -19.156 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.258 13.441 -20.077 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.020 12.369 -21.461 1.00 0.00 H new ATOM 1670 N GLU A 107 -6.954 10.665 -16.847 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.290 10.087 -17.135 1.00 0.00 C ATOM 1672 C GLU A 107 -9.337 10.691 -16.178 1.00 0.00 C ATOM 1673 O GLU A 107 -10.400 11.155 -16.592 1.00 0.00 O ATOM 1674 CB GLU A 107 -8.303 8.521 -16.981 1.00 0.00 C ATOM 1675 CG GLU A 107 -7.091 7.750 -17.575 1.00 0.00 C ATOM 1676 CD GLU A 107 -5.830 7.799 -16.682 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -5.828 7.147 -15.610 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -4.867 8.525 -17.014 1.00 0.00 O ATOM 0 H GLU A 107 -6.294 9.984 -16.472 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.531 10.330 -18.170 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.369 8.284 -15.919 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.211 8.141 -17.450 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.375 6.709 -17.732 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.850 8.166 -18.553 1.00 0.00 H new ATOM 1685 N CYS A 108 -8.980 10.692 -14.887 1.00 0.00 N ATOM 1686 CA CYS A 108 -9.866 11.115 -13.787 1.00 0.00 C ATOM 1687 C CYS A 108 -9.886 12.641 -13.599 1.00 0.00 C ATOM 1688 O CYS A 108 -10.766 13.175 -12.916 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.444 10.393 -12.504 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.541 8.583 -12.657 1.00 0.00 S ATOM 0 H CYS A 108 -8.057 10.396 -14.570 1.00 0.00 H new ATOM 0 HA CYS A 108 -10.889 10.838 -14.041 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.423 10.678 -12.250 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.081 10.719 -11.682 1.00 0.00 H new ATOM 0 HG CYS A 108 -9.220 8.034 -11.523 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.894 13.325 -14.189 1.00 0.00 N ATOM 1696 CA ALA A 109 -8.857 14.794 -14.272 1.00 0.00 C ATOM 1697 C ALA A 109 -9.658 15.271 -15.497 1.00 0.00 C ATOM 1698 O ALA A 109 -10.170 16.393 -15.521 1.00 0.00 O ATOM 1699 CB ALA A 109 -7.402 15.272 -14.322 1.00 0.00 C ATOM 0 H ALA A 109 -8.090 12.873 -14.624 1.00 0.00 H new ATOM 0 HA ALA A 109 -9.321 15.226 -13.385 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -7.378 16.360 -14.383 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.881 14.948 -13.421 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.910 14.848 -15.197 1.00 0.00 H new ATOM 1705 N ALA A 110 -9.756 14.389 -16.510 1.00 0.00 N ATOM 1706 CA ALA A 110 -10.635 14.577 -17.677 1.00 0.00 C ATOM 1707 C ALA A 110 -12.092 14.252 -17.302 1.00 0.00 C ATOM 1708 O ALA A 110 -13.028 14.728 -17.952 1.00 0.00 O ATOM 1709 CB ALA A 110 -10.164 13.700 -18.848 1.00 0.00 C ATOM 0 H ALA A 110 -9.223 13.520 -16.540 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.585 15.620 -17.991 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.823 13.850 -19.703 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.146 13.976 -19.122 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.188 12.652 -18.550 1.00 0.00 H new ATOM 1715 N ALA A 111 -12.261 13.423 -16.244 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.578 13.083 -15.669 1.00 0.00 C ATOM 1717 C ALA A 111 -14.178 14.262 -14.882 1.00 0.00 C ATOM 1718 O ALA A 111 -15.351 14.217 -14.498 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.464 11.835 -14.779 1.00 0.00 C ATOM 0 H ALA A 111 -11.482 12.971 -15.766 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.256 12.866 -16.494 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.442 11.595 -14.361 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.108 10.995 -15.375 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.761 12.029 -13.969 1.00 0.00 H new