USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 666 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 30 CYS SG : rot 24:sc= 0.131 USER MOD Set 1.2: A 79 CYS SG : rot 97:sc= 0.129 USER MOD Set 2.1: A 57 GLN : amide:sc= 0.747 K(o=-0.036,f=-2.1) USER MOD Set 2.2: A 62 CYS SG : rot -130:sc= -0.783 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -110:sc= -0.606 USER MOD Single : A 17 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.23) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 155:sc= -2.58 (180deg=-4.14!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -143:sc= 0.0085 (180deg=-0.107) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.312 F(o=-0.9,f=-0.31) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0164 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.0046) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 156:sc= -0.197 (180deg=-0.298) USER MOD Single : A 77 TYR OH : rot 75:sc= -1.58! USER MOD Single : A 81 CYS SG : rot -50:sc= -5.17! USER MOD Single : A 83 GLN : amide:sc= -0.0899 K(o=-0.09,f=-1.9!) USER MOD Single : A 86 THR OG1 : rot 130:sc= -0.145 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -51:sc= 0.633 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 1.511 16.262 -1.174 1.00 0.00 N ATOM 81 CA ALA A 9 2.222 15.183 -0.499 1.00 0.00 C ATOM 82 C ALA A 9 3.192 14.487 -1.447 1.00 0.00 C ATOM 83 O ALA A 9 2.798 13.994 -2.504 1.00 0.00 O ATOM 84 CB ALA A 9 1.234 14.181 0.079 1.00 0.00 C ATOM 0 HA ALA A 9 2.801 15.617 0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.779 13.381 0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.585 14.683 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.630 13.761 -0.725 1.00 0.00 H new ATOM 90 N LYS A 10 4.463 14.449 -1.062 1.00 0.00 N ATOM 91 CA LYS A 10 5.491 13.812 -1.877 1.00 0.00 C ATOM 92 C LYS A 10 6.071 12.594 -1.166 1.00 0.00 C ATOM 93 O LYS A 10 6.482 12.675 -0.009 1.00 0.00 O ATOM 94 CB LYS A 10 6.608 14.809 -2.197 1.00 0.00 C ATOM 95 CG LYS A 10 6.123 16.053 -2.922 1.00 0.00 C ATOM 96 CD LYS A 10 7.198 16.622 -3.832 1.00 0.00 C ATOM 97 CE LYS A 10 7.066 18.131 -3.975 1.00 0.00 C ATOM 98 NZ LYS A 10 8.082 18.690 -4.910 1.00 0.00 N ATOM 0 H LYS A 10 4.806 14.852 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 10 5.029 13.482 -2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.095 15.106 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.362 14.313 -2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.238 15.811 -3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.825 16.807 -2.193 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.182 16.378 -3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.129 16.155 -4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.067 18.376 -4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.176 18.600 -2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.959 19.720 -4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.036 18.479 -4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.961 18.262 -5.850 1.00 0.00 H new ATOM 112 N PHE A 11 6.104 11.465 -1.867 1.00 0.00 N ATOM 113 CA PHE A 11 6.634 10.230 -1.303 1.00 0.00 C ATOM 114 C PHE A 11 8.047 10.440 -0.766 1.00 0.00 C ATOM 115 O PHE A 11 8.925 10.939 -1.470 1.00 0.00 O ATOM 116 CB PHE A 11 6.638 9.122 -2.359 1.00 0.00 C ATOM 117 CG PHE A 11 5.271 8.789 -2.883 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.411 7.985 -2.152 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.845 9.280 -4.107 1.00 0.00 C ATOM 120 CE1 PHE A 11 3.152 7.677 -2.632 1.00 0.00 C ATOM 121 CE2 PHE A 11 3.587 8.975 -4.591 1.00 0.00 C ATOM 122 CZ PHE A 11 2.740 8.172 -3.853 1.00 0.00 C ATOM 0 H PHE A 11 5.770 11.381 -2.827 1.00 0.00 H new ATOM 0 HA PHE A 11 5.990 9.932 -0.476 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.273 9.426 -3.191 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.083 8.224 -1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.728 7.595 -1.196 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.503 9.908 -4.689 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.491 7.050 -2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.266 9.364 -5.546 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.757 7.932 -4.230 1.00 0.00 H new ATOM 132 N THR A 12 8.259 10.056 0.489 1.00 0.00 N ATOM 133 CA THR A 12 9.563 10.204 1.124 1.00 0.00 C ATOM 134 C THR A 12 10.378 8.920 1.011 1.00 0.00 C ATOM 135 O THR A 12 11.606 8.958 0.953 1.00 0.00 O ATOM 136 CB THR A 12 9.425 10.582 2.610 1.00 0.00 C ATOM 137 OG1 THR A 12 8.401 9.792 3.224 1.00 0.00 O ATOM 138 CG2 THR A 12 9.094 12.059 2.764 1.00 0.00 C ATOM 0 H THR A 12 7.544 9.640 1.086 1.00 0.00 H new ATOM 0 HA THR A 12 10.081 11.007 0.600 1.00 0.00 H new ATOM 0 HB THR A 12 10.378 10.386 3.102 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.630 10.360 3.433 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.001 12.303 3.822 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.890 12.658 2.322 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.153 12.276 2.258 1.00 0.00 H new ATOM 146 N GLU A 13 9.685 7.786 0.980 1.00 0.00 N ATOM 147 CA GLU A 13 10.346 6.491 0.874 1.00 0.00 C ATOM 148 C GLU A 13 9.818 5.706 -0.324 1.00 0.00 C ATOM 149 O GLU A 13 10.484 4.805 -0.832 1.00 0.00 O ATOM 150 CB GLU A 13 10.141 5.682 2.157 1.00 0.00 C ATOM 151 CG GLU A 13 10.499 6.446 3.421 1.00 0.00 C ATOM 152 CD GLU A 13 11.973 6.795 3.494 1.00 0.00 C ATOM 153 OE1 GLU A 13 12.767 5.933 3.924 1.00 0.00 O ATOM 154 OE2 GLU A 13 12.332 7.931 3.120 1.00 0.00 O ATOM 0 H GLU A 13 8.667 7.738 1.027 1.00 0.00 H new ATOM 0 HA GLU A 13 11.412 6.667 0.730 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.099 5.367 2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.745 4.776 2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.910 7.362 3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.227 5.849 4.291 1.00 0.00 H new ATOM 161 N GLY A 14 8.616 6.058 -0.771 1.00 0.00 N ATOM 162 CA GLY A 14 8.018 5.377 -1.905 1.00 0.00 C ATOM 163 C GLY A 14 7.707 3.923 -1.610 1.00 0.00 C ATOM 164 O GLY A 14 8.129 3.385 -0.585 1.00 0.00 O ATOM 0 H GLY A 14 8.046 6.802 -0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.100 5.891 -2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.695 5.435 -2.758 1.00 0.00 H new ATOM 168 N LEU A 15 6.966 3.285 -2.509 1.00 0.00 N ATOM 169 CA LEU A 15 6.597 1.883 -2.340 1.00 0.00 C ATOM 170 C LEU A 15 7.834 0.991 -2.335 1.00 0.00 C ATOM 171 O LEU A 15 8.951 1.460 -2.556 1.00 0.00 O ATOM 172 CB LEU A 15 5.645 1.448 -3.456 1.00 0.00 C ATOM 173 CG LEU A 15 4.173 1.813 -3.262 1.00 0.00 C ATOM 174 CD1 LEU A 15 3.401 1.626 -4.559 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.559 0.977 -2.148 1.00 0.00 C ATOM 0 H LEU A 15 6.609 3.715 -3.362 1.00 0.00 H new ATOM 0 HA LEU A 15 6.093 1.779 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.988 1.890 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.719 0.366 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 15 4.113 2.863 -2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.355 1.891 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.825 2.268 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.468 0.585 -4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.511 1.250 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.631 -0.080 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.095 1.162 -1.217 1.00 0.00 H new ATOM 187 N ARG A 16 7.628 -0.297 -2.084 1.00 0.00 N ATOM 188 CA ARG A 16 8.726 -1.255 -2.052 1.00 0.00 C ATOM 189 C ARG A 16 8.232 -2.660 -2.386 1.00 0.00 C ATOM 190 O ARG A 16 7.341 -3.189 -1.722 1.00 0.00 O ATOM 191 CB ARG A 16 9.394 -1.251 -0.676 1.00 0.00 C ATOM 192 CG ARG A 16 8.556 -1.908 0.410 1.00 0.00 C ATOM 193 CD ARG A 16 8.951 -1.414 1.793 1.00 0.00 C ATOM 194 NE ARG A 16 10.045 -2.196 2.361 1.00 0.00 N ATOM 195 CZ ARG A 16 9.870 -3.342 3.010 1.00 0.00 C ATOM 196 NH1 ARG A 16 8.650 -3.836 3.171 1.00 0.00 N ATOM 197 NH2 ARG A 16 10.916 -3.996 3.499 1.00 0.00 N ATOM 0 H ARG A 16 6.710 -0.702 -1.900 1.00 0.00 H new ATOM 0 HA ARG A 16 9.457 -0.958 -2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.352 -1.766 -0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.605 -0.221 -0.387 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.501 -1.697 0.235 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.677 -2.990 0.360 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.247 -0.367 1.733 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.087 -1.464 2.456 1.00 0.00 H new ATOM 0 HE ARG A 16 10.996 -1.843 2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.844 -3.336 2.796 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.518 -4.716 3.670 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.856 -3.619 3.377 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.780 -4.876 3.997 1.00 0.00 H new ATOM 211 N ASN A 17 8.817 -3.258 -3.419 1.00 0.00 N ATOM 212 CA ASN A 17 8.436 -4.601 -3.841 1.00 0.00 C ATOM 213 C ASN A 17 8.504 -5.579 -2.672 1.00 0.00 C ATOM 214 O ASN A 17 9.480 -5.598 -1.923 1.00 0.00 O ATOM 215 CB ASN A 17 9.346 -5.079 -4.974 1.00 0.00 C ATOM 216 CG ASN A 17 10.611 -5.737 -4.461 1.00 0.00 C ATOM 217 OD1 ASN A 17 10.703 -6.963 -4.393 1.00 0.00 O ATOM 218 ND2 ASN A 17 11.595 -4.924 -4.095 1.00 0.00 N ATOM 0 H ASN A 17 9.556 -2.834 -3.979 1.00 0.00 H new ATOM 0 HA ASN A 17 7.408 -4.564 -4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.801 -5.785 -5.601 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.611 -4.231 -5.605 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.470 -5.310 -3.741 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.476 -3.914 -4.168 1.00 0.00 H new ATOM 225 N GLU A 18 7.460 -6.388 -2.523 1.00 0.00 N ATOM 226 CA GLU A 18 7.402 -7.368 -1.445 1.00 0.00 C ATOM 227 C GLU A 18 6.851 -8.699 -1.949 1.00 0.00 C ATOM 228 O GLU A 18 6.531 -8.843 -3.128 1.00 0.00 O ATOM 229 CB GLU A 18 6.535 -6.847 -0.297 1.00 0.00 C ATOM 230 CG GLU A 18 5.044 -6.949 -0.566 1.00 0.00 C ATOM 231 CD GLU A 18 4.214 -6.839 0.698 1.00 0.00 C ATOM 232 OE1 GLU A 18 4.668 -7.338 1.750 1.00 0.00 O ATOM 233 OE2 GLU A 18 3.111 -6.256 0.637 1.00 0.00 O ATOM 0 H GLU A 18 6.644 -6.384 -3.135 1.00 0.00 H new ATOM 0 HA GLU A 18 8.417 -7.529 -1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.771 -7.406 0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.790 -5.805 -0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.749 -6.161 -1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.831 -7.900 -1.054 1.00 0.00 H new ATOM 240 N GLU A 19 6.745 -9.669 -1.045 1.00 0.00 N ATOM 241 CA GLU A 19 6.234 -10.988 -1.399 1.00 0.00 C ATOM 242 C GLU A 19 5.399 -11.571 -0.262 1.00 0.00 C ATOM 243 O GLU A 19 5.475 -11.111 0.877 1.00 0.00 O ATOM 244 CB GLU A 19 7.389 -11.934 -1.734 1.00 0.00 C ATOM 245 CG GLU A 19 8.327 -12.188 -0.565 1.00 0.00 C ATOM 246 CD GLU A 19 9.129 -10.959 -0.184 1.00 0.00 C ATOM 247 OE1 GLU A 19 9.900 -10.465 -1.033 1.00 0.00 O ATOM 248 OE2 GLU A 19 8.986 -10.490 0.965 1.00 0.00 O ATOM 0 H GLU A 19 7.006 -9.566 -0.064 1.00 0.00 H new ATOM 0 HA GLU A 19 5.597 -10.879 -2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.981 -12.886 -2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.960 -11.517 -2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.747 -12.520 0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.010 -12.998 -0.821 1.00 0.00 H new ATOM 255 N ALA A 20 4.601 -12.585 -0.581 1.00 0.00 N ATOM 256 CA ALA A 20 3.753 -13.231 0.412 1.00 0.00 C ATOM 257 C ALA A 20 3.281 -14.597 -0.074 1.00 0.00 C ATOM 258 O ALA A 20 3.649 -15.042 -1.161 1.00 0.00 O ATOM 259 CB ALA A 20 2.561 -12.346 0.745 1.00 0.00 C ATOM 0 H ALA A 20 4.524 -12.976 -1.520 1.00 0.00 H new ATOM 0 HA ALA A 20 4.344 -13.380 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.936 -12.842 1.488 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.914 -11.395 1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.978 -12.167 -0.158 1.00 0.00 H new ATOM 265 N VAL A 21 2.463 -15.259 0.738 1.00 0.00 N ATOM 266 CA VAL A 21 1.940 -16.575 0.390 1.00 0.00 C ATOM 267 C VAL A 21 0.484 -16.488 -0.055 1.00 0.00 C ATOM 268 O VAL A 21 -0.212 -15.522 0.256 1.00 0.00 O ATOM 269 CB VAL A 21 2.045 -17.553 1.576 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.452 -18.904 1.208 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.493 -17.699 2.018 1.00 0.00 C ATOM 0 H VAL A 21 2.148 -14.906 1.641 1.00 0.00 H new ATOM 0 HA VAL A 21 2.547 -16.949 -0.434 1.00 0.00 H new ATOM 0 HB VAL A 21 1.473 -17.148 2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.535 -19.582 2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.402 -18.781 0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.993 -19.320 0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.549 -18.393 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.089 -18.081 1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.879 -16.727 2.325 1.00 0.00 H new ATOM 281 N GLU A 22 0.032 -17.503 -0.785 1.00 0.00 N ATOM 282 CA GLU A 22 -1.341 -17.540 -1.273 1.00 0.00 C ATOM 283 C GLU A 22 -2.332 -17.513 -0.113 1.00 0.00 C ATOM 284 O GLU A 22 -2.121 -18.158 0.913 1.00 0.00 O ATOM 285 CB GLU A 22 -1.570 -18.790 -2.125 1.00 0.00 C ATOM 286 CG GLU A 22 -1.179 -18.613 -3.582 1.00 0.00 C ATOM 287 CD GLU A 22 -1.785 -19.674 -4.481 1.00 0.00 C ATOM 288 OE1 GLU A 22 -1.574 -20.874 -4.206 1.00 0.00 O ATOM 289 OE2 GLU A 22 -2.468 -19.305 -5.459 1.00 0.00 O ATOM 0 H GLU A 22 0.596 -18.310 -1.051 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.504 -16.655 -1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.000 -19.617 -1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.622 -19.068 -2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.498 -17.628 -3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.093 -18.645 -3.669 1.00 0.00 H new ATOM 296 N GLY A 23 -3.415 -16.761 -0.284 1.00 0.00 N ATOM 297 CA GLY A 23 -4.422 -16.663 0.757 1.00 0.00 C ATOM 298 C GLY A 23 -4.096 -15.593 1.780 1.00 0.00 C ATOM 299 O GLY A 23 -4.986 -14.892 2.260 1.00 0.00 O ATOM 0 H GLY A 23 -3.613 -16.218 -1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.389 -16.445 0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.515 -17.626 1.260 1.00 0.00 H new ATOM 303 N ALA A 24 -2.817 -15.470 2.118 1.00 0.00 N ATOM 304 CA ALA A 24 -2.376 -14.478 3.091 1.00 0.00 C ATOM 305 C ALA A 24 -2.833 -13.079 2.695 1.00 0.00 C ATOM 306 O ALA A 24 -3.565 -12.906 1.720 1.00 0.00 O ATOM 307 CB ALA A 24 -0.862 -14.519 3.236 1.00 0.00 C ATOM 0 H ALA A 24 -2.068 -16.045 1.733 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.830 -14.721 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.546 -13.773 3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.555 -15.509 3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.398 -14.304 2.273 1.00 0.00 H new ATOM 313 N THR A 25 -2.399 -12.081 3.458 1.00 0.00 N ATOM 314 CA THR A 25 -2.765 -10.696 3.187 1.00 0.00 C ATOM 315 C THR A 25 -1.528 -9.820 3.033 1.00 0.00 C ATOM 316 O THR A 25 -0.878 -9.467 4.017 1.00 0.00 O ATOM 317 CB THR A 25 -3.651 -10.121 4.308 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.746 -11.006 4.571 1.00 0.00 O ATOM 319 CG2 THR A 25 -4.183 -8.748 3.927 1.00 0.00 C ATOM 0 H THR A 25 -1.793 -12.206 4.269 1.00 0.00 H new ATOM 0 HA THR A 25 -3.326 -10.694 2.252 1.00 0.00 H new ATOM 0 HB THR A 25 -3.042 -10.021 5.206 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.303 -10.634 5.286 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.806 -8.362 4.734 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.348 -8.069 3.757 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.777 -8.828 3.017 1.00 0.00 H new ATOM 327 N ALA A 26 -1.207 -9.470 1.792 1.00 0.00 N ATOM 328 CA ALA A 26 -0.048 -8.632 1.509 1.00 0.00 C ATOM 329 C ALA A 26 -0.050 -7.381 2.380 1.00 0.00 C ATOM 330 O ALA A 26 -1.055 -7.054 3.011 1.00 0.00 O ATOM 331 CB ALA A 26 -0.018 -8.253 0.036 1.00 0.00 C ATOM 0 H ALA A 26 -1.734 -9.754 0.966 1.00 0.00 H new ATOM 0 HA ALA A 26 0.850 -9.204 1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.853 -7.627 -0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.040 -9.156 -0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.925 -7.703 -0.217 1.00 0.00 H new ATOM 337 N MET A 27 1.081 -6.684 2.410 1.00 0.00 N ATOM 338 CA MET A 27 1.208 -5.468 3.204 1.00 0.00 C ATOM 339 C MET A 27 2.043 -4.424 2.469 1.00 0.00 C ATOM 340 O MET A 27 3.267 -4.537 2.388 1.00 0.00 O ATOM 341 CB MET A 27 1.843 -5.782 4.560 1.00 0.00 C ATOM 342 CG MET A 27 2.034 -4.558 5.441 1.00 0.00 C ATOM 343 SD MET A 27 0.503 -4.027 6.233 1.00 0.00 S ATOM 344 CE MET A 27 -0.102 -2.839 5.038 1.00 0.00 C ATOM 0 H MET A 27 1.922 -6.941 1.894 1.00 0.00 H new ATOM 0 HA MET A 27 0.209 -5.063 3.364 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.218 -6.504 5.086 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.811 -6.257 4.397 1.00 0.00 H new ATOM 0 HG2 MET A 27 2.777 -4.779 6.207 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.430 -3.740 4.839 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.185 -2.754 5.126 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.355 -1.868 5.227 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.155 -3.171 4.032 1.00 0.00 H new ATOM 354 N LEU A 28 1.374 -3.408 1.934 1.00 0.00 N ATOM 355 CA LEU A 28 2.054 -2.343 1.205 1.00 0.00 C ATOM 356 C LEU A 28 1.843 -0.995 1.888 1.00 0.00 C ATOM 357 O LEU A 28 0.710 -0.550 2.068 1.00 0.00 O ATOM 358 CB LEU A 28 1.547 -2.282 -0.237 1.00 0.00 C ATOM 359 CG LEU A 28 1.911 -3.471 -1.127 1.00 0.00 C ATOM 360 CD1 LEU A 28 0.897 -3.626 -2.250 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.314 -3.305 -1.692 1.00 0.00 C ATOM 0 H LEU A 28 0.361 -3.299 1.991 1.00 0.00 H new ATOM 0 HA LEU A 28 3.121 -2.563 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.461 -2.189 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.936 -1.375 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 28 1.891 -4.375 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.172 -4.477 -2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.093 -3.792 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.885 -2.721 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.556 -4.160 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.362 -2.392 -2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.031 -3.244 -0.873 1.00 0.00 H new ATOM 373 N TRP A 29 2.942 -0.351 2.263 1.00 0.00 N ATOM 374 CA TRP A 29 2.878 0.948 2.924 1.00 0.00 C ATOM 375 C TRP A 29 3.811 1.948 2.250 1.00 0.00 C ATOM 376 O TRP A 29 4.749 1.563 1.551 1.00 0.00 O ATOM 377 CB TRP A 29 3.241 0.809 4.403 1.00 0.00 C ATOM 378 CG TRP A 29 4.687 0.491 4.632 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.233 -0.746 4.826 1.00 0.00 C ATOM 380 CD2 TRP A 29 5.771 1.424 4.694 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.591 -0.638 5.004 1.00 0.00 N ATOM 382 CE2 TRP A 29 6.946 0.683 4.927 1.00 0.00 C ATOM 383 CE3 TRP A 29 5.863 2.813 4.573 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.196 1.287 5.042 1.00 0.00 C ATOM 385 CZ3 TRP A 29 7.104 3.411 4.687 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.257 2.648 4.919 1.00 0.00 C ATOM 0 H TRP A 29 3.888 -0.706 2.121 1.00 0.00 H new ATOM 0 HA TRP A 29 1.857 1.320 2.842 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.994 1.737 4.919 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.629 0.024 4.848 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.679 -1.673 4.838 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.231 -1.415 5.167 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.980 3.409 4.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.085 0.701 5.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.187 4.484 4.596 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.212 3.145 5.002 1.00 0.00 H new ATOM 397 N CYS A 30 3.549 3.233 2.465 1.00 0.00 N ATOM 398 CA CYS A 30 4.366 4.288 1.878 1.00 0.00 C ATOM 399 C CYS A 30 4.247 5.579 2.682 1.00 0.00 C ATOM 400 O CYS A 30 3.160 5.944 3.129 1.00 0.00 O ATOM 401 CB CYS A 30 3.951 4.536 0.427 1.00 0.00 C ATOM 402 SG CYS A 30 2.272 5.180 0.240 1.00 0.00 S ATOM 0 H CYS A 30 2.777 3.569 3.041 1.00 0.00 H new ATOM 0 HA CYS A 30 5.406 3.963 1.900 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.651 5.239 -0.025 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.034 3.602 -0.128 1.00 0.00 H new ATOM 0 HG CYS A 30 1.908 5.769 1.340 1.00 0.00 H new ATOM 408 N GLU A 31 5.371 6.265 2.861 1.00 0.00 N ATOM 409 CA GLU A 31 5.391 7.514 3.613 1.00 0.00 C ATOM 410 C GLU A 31 5.347 8.716 2.674 1.00 0.00 C ATOM 411 O GLU A 31 5.778 8.634 1.523 1.00 0.00 O ATOM 412 CB GLU A 31 6.642 7.586 4.492 1.00 0.00 C ATOM 413 CG GLU A 31 6.443 7.003 5.882 1.00 0.00 C ATOM 414 CD GLU A 31 7.729 6.957 6.684 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.812 6.876 6.067 1.00 0.00 O ATOM 416 OE2 GLU A 31 7.652 7.003 7.930 1.00 0.00 O ATOM 0 H GLU A 31 6.279 5.977 2.496 1.00 0.00 H new ATOM 0 HA GLU A 31 4.506 7.539 4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.455 7.055 3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.952 8.627 4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.705 7.598 6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.037 5.995 5.795 1.00 0.00 H new ATOM 423 N LEU A 32 4.823 9.830 3.173 1.00 0.00 N ATOM 424 CA LEU A 32 4.722 11.050 2.379 1.00 0.00 C ATOM 425 C LEU A 32 5.148 12.267 3.193 1.00 0.00 C ATOM 426 O LEU A 32 5.025 12.280 4.418 1.00 0.00 O ATOM 427 CB LEU A 32 3.290 11.235 1.874 1.00 0.00 C ATOM 428 CG LEU A 32 2.631 10.002 1.256 1.00 0.00 C ATOM 429 CD1 LEU A 32 1.123 10.049 1.449 1.00 0.00 C ATOM 430 CD2 LEU A 32 2.979 9.894 -0.221 1.00 0.00 C ATOM 0 H LEU A 32 4.462 9.914 4.123 1.00 0.00 H new ATOM 0 HA LEU A 32 5.393 10.955 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.673 11.573 2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.288 12.033 1.132 1.00 0.00 H new ATOM 0 HG LEU A 32 3.014 9.117 1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.671 9.163 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.893 10.076 2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.722 10.942 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.501 9.010 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.626 10.783 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.060 9.811 -0.335 1.00 0.00 H new ATOM 442 N SER A 33 5.646 13.289 2.505 1.00 0.00 N ATOM 443 CA SER A 33 6.092 14.510 3.165 1.00 0.00 C ATOM 444 C SER A 33 5.006 15.056 4.087 1.00 0.00 C ATOM 445 O SER A 33 5.275 15.877 4.965 1.00 0.00 O ATOM 446 CB SER A 33 6.472 15.567 2.125 1.00 0.00 C ATOM 447 OG SER A 33 7.025 16.715 2.745 1.00 0.00 O ATOM 0 H SER A 33 5.751 13.296 1.490 1.00 0.00 H new ATOM 0 HA SER A 33 6.969 14.270 3.766 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.191 15.148 1.421 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.590 15.849 1.550 1.00 0.00 H new ATOM 0 HG SER A 33 7.261 17.375 2.060 1.00 0.00 H new ATOM 453 N LYS A 34 3.777 14.594 3.883 1.00 0.00 N ATOM 454 CA LYS A 34 2.649 15.033 4.695 1.00 0.00 C ATOM 455 C LYS A 34 1.452 14.106 4.511 1.00 0.00 C ATOM 456 O LYS A 34 1.362 13.382 3.519 1.00 0.00 O ATOM 457 CB LYS A 34 2.258 16.467 4.329 1.00 0.00 C ATOM 458 CG LYS A 34 2.178 16.712 2.832 1.00 0.00 C ATOM 459 CD LYS A 34 1.152 17.782 2.497 1.00 0.00 C ATOM 460 CE LYS A 34 -0.236 17.187 2.316 1.00 0.00 C ATOM 461 NZ LYS A 34 -1.255 18.234 2.031 1.00 0.00 N ATOM 0 H LYS A 34 3.537 13.915 3.161 1.00 0.00 H new ATOM 0 HA LYS A 34 2.953 15.001 5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.292 16.697 4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.984 17.155 4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.156 17.015 2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.917 15.784 2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.129 18.527 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.449 18.299 1.585 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.218 16.466 1.499 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.518 16.642 3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.187 17.788 1.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.290 18.908 2.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.000 18.738 1.158 1.00 0.00 H new ATOM 475 N VAL A 35 0.535 14.132 5.473 1.00 0.00 N ATOM 476 CA VAL A 35 -0.658 13.296 5.416 1.00 0.00 C ATOM 477 C VAL A 35 -1.575 13.725 4.276 1.00 0.00 C ATOM 478 O VAL A 35 -2.005 14.876 4.212 1.00 0.00 O ATOM 479 CB VAL A 35 -1.443 13.346 6.740 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.547 12.300 6.746 1.00 0.00 C ATOM 481 CG2 VAL A 35 -0.506 13.152 7.922 1.00 0.00 C ATOM 0 H VAL A 35 0.596 14.724 6.302 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.321 12.274 5.242 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.906 14.328 6.831 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.091 12.350 7.689 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.233 12.491 5.921 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.109 11.308 6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.077 13.190 8.849 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.012 12.184 7.840 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.244 13.943 7.925 1.00 0.00 H new ATOM 491 N ALA A 36 -1.872 12.790 3.379 1.00 0.00 N ATOM 492 CA ALA A 36 -2.741 13.070 2.243 1.00 0.00 C ATOM 493 C ALA A 36 -3.445 11.805 1.765 1.00 0.00 C ATOM 494 O ALA A 36 -2.972 10.687 1.971 1.00 0.00 O ATOM 495 CB ALA A 36 -1.941 13.692 1.107 1.00 0.00 C ATOM 0 H ALA A 36 -1.523 11.832 3.417 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.503 13.778 2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.603 13.896 0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.489 14.624 1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.157 13.002 0.794 1.00 0.00 H new ATOM 501 N PRO A 37 -4.603 11.982 1.112 1.00 0.00 N ATOM 502 CA PRO A 37 -5.397 10.865 0.592 1.00 0.00 C ATOM 503 C PRO A 37 -4.724 10.176 -0.589 1.00 0.00 C ATOM 504 O PRO A 37 -4.482 10.793 -1.627 1.00 0.00 O ATOM 505 CB PRO A 37 -6.701 11.533 0.148 1.00 0.00 C ATOM 506 CG PRO A 37 -6.325 12.946 -0.138 1.00 0.00 C ATOM 507 CD PRO A 37 -5.226 13.286 0.831 1.00 0.00 C ATOM 0 HA PRO A 37 -5.535 10.082 1.337 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.114 11.047 -0.736 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.461 11.476 0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.986 13.059 -1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.179 13.611 -0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.512 13.987 0.399 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.618 13.748 1.737 1.00 0.00 H new ATOM 515 N VAL A 38 -4.423 8.891 -0.426 1.00 0.00 N ATOM 516 CA VAL A 38 -3.778 8.117 -1.480 1.00 0.00 C ATOM 517 C VAL A 38 -4.798 7.296 -2.261 1.00 0.00 C ATOM 518 O VAL A 38 -5.951 7.169 -1.851 1.00 0.00 O ATOM 519 CB VAL A 38 -2.705 7.172 -0.906 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.549 7.969 -0.322 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.312 6.251 0.142 1.00 0.00 C ATOM 0 H VAL A 38 -4.616 8.364 0.426 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.301 8.831 -2.151 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.317 6.556 -1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.801 7.285 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.099 8.582 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.917 8.612 0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.540 5.590 0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.729 6.848 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.103 5.654 -0.312 1.00 0.00 H new ATOM 531 N GLU A 39 -4.364 6.739 -3.387 1.00 0.00 N ATOM 532 CA GLU A 39 -5.240 5.929 -4.225 1.00 0.00 C ATOM 533 C GLU A 39 -4.490 4.732 -4.800 1.00 0.00 C ATOM 534 O GLU A 39 -3.682 4.875 -5.718 1.00 0.00 O ATOM 535 CB GLU A 39 -5.820 6.775 -5.361 1.00 0.00 C ATOM 536 CG GLU A 39 -6.526 8.033 -4.884 1.00 0.00 C ATOM 537 CD GLU A 39 -7.617 8.486 -5.835 1.00 0.00 C ATOM 538 OE1 GLU A 39 -7.282 9.093 -6.874 1.00 0.00 O ATOM 539 OE2 GLU A 39 -8.804 8.235 -5.541 1.00 0.00 O ATOM 0 H GLU A 39 -3.412 6.834 -3.740 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.055 5.560 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.016 7.056 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.523 6.168 -5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.959 7.851 -3.900 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.795 8.833 -4.768 1.00 0.00 H new ATOM 546 N TRP A 40 -4.762 3.553 -4.254 1.00 0.00 N ATOM 547 CA TRP A 40 -4.112 2.330 -4.711 1.00 0.00 C ATOM 548 C TRP A 40 -4.792 1.788 -5.964 1.00 0.00 C ATOM 549 O TRP A 40 -6.019 1.739 -6.044 1.00 0.00 O ATOM 550 CB TRP A 40 -4.134 1.272 -3.607 1.00 0.00 C ATOM 551 CG TRP A 40 -3.650 1.784 -2.284 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.349 2.554 -1.398 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.362 1.565 -1.700 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.572 2.826 -0.298 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.349 2.231 -0.458 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.218 0.871 -2.103 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.237 2.221 0.380 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.116 0.862 -1.270 1.00 0.00 C ATOM 559 CH2 TRP A 40 -0.131 1.533 -0.040 1.00 0.00 C ATOM 0 H TRP A 40 -5.428 3.417 -3.494 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.077 2.568 -4.955 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.151 0.897 -3.493 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.515 0.428 -3.910 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.363 2.898 -1.541 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.860 3.381 0.508 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.196 0.351 -3.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.247 2.738 1.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.773 0.328 -1.572 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.747 1.507 0.589 1.00 0.00 H new ATOM 570 N ARG A 41 -3.986 1.383 -6.941 1.00 0.00 N ATOM 571 CA ARG A 41 -4.511 0.846 -8.190 1.00 0.00 C ATOM 572 C ARG A 41 -3.605 -0.256 -8.732 1.00 0.00 C ATOM 573 O ARG A 41 -2.395 -0.248 -8.503 1.00 0.00 O ATOM 574 CB ARG A 41 -4.654 1.960 -9.229 1.00 0.00 C ATOM 575 CG ARG A 41 -5.874 2.841 -9.013 1.00 0.00 C ATOM 576 CD ARG A 41 -5.739 4.168 -9.744 1.00 0.00 C ATOM 577 NE ARG A 41 -7.035 4.704 -10.149 1.00 0.00 N ATOM 578 CZ ARG A 41 -7.183 5.840 -10.821 1.00 0.00 C ATOM 579 NH1 ARG A 41 -6.121 6.556 -11.162 1.00 0.00 N ATOM 580 NH2 ARG A 41 -8.396 6.262 -11.154 1.00 0.00 N ATOM 0 H ARG A 41 -2.968 1.417 -6.891 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.493 0.419 -7.988 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.759 2.582 -9.208 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.709 1.514 -10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.766 2.321 -9.362 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.008 3.024 -7.947 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.235 4.888 -9.099 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.111 4.034 -10.625 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.873 4.177 -9.902 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.187 6.235 -10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.238 7.428 -11.678 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.216 5.714 -10.894 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.509 7.135 -11.670 1.00 0.00 H new ATOM 594 N LYS A 42 -4.198 -1.203 -9.451 1.00 0.00 N ATOM 595 CA LYS A 42 -3.446 -2.312 -10.026 1.00 0.00 C ATOM 596 C LYS A 42 -3.500 -2.273 -11.550 1.00 0.00 C ATOM 597 O LYS A 42 -4.332 -2.935 -12.168 1.00 0.00 O ATOM 598 CB LYS A 42 -3.997 -3.646 -9.519 1.00 0.00 C ATOM 599 CG LYS A 42 -3.041 -4.811 -9.710 1.00 0.00 C ATOM 600 CD LYS A 42 -3.538 -6.062 -9.004 1.00 0.00 C ATOM 601 CE LYS A 42 -2.892 -7.316 -9.572 1.00 0.00 C ATOM 602 NZ LYS A 42 -3.434 -7.660 -10.915 1.00 0.00 N ATOM 0 H LYS A 42 -5.198 -1.225 -9.650 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.406 -2.214 -9.714 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.235 -3.552 -8.459 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.931 -3.864 -10.037 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.923 -5.015 -10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.057 -4.542 -9.326 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.321 -5.990 -7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.621 -6.132 -9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.814 -7.169 -9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.056 -8.150 -8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.506 -8.694 -11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.377 -7.236 -11.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.798 -7.291 -11.651 1.00 0.00 H new ATOM 616 N GLY A 43 -2.605 -1.493 -12.150 1.00 0.00 N ATOM 617 CA GLY A 43 -2.567 -1.385 -13.596 1.00 0.00 C ATOM 618 C GLY A 43 -3.922 -1.048 -14.188 1.00 0.00 C ATOM 619 O GLY A 43 -4.505 -0.002 -13.902 1.00 0.00 O ATOM 0 H GLY A 43 -1.906 -0.935 -11.660 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.848 -0.617 -13.881 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.213 -2.325 -14.018 1.00 0.00 H new ATOM 623 N PRO A 44 -4.442 -1.947 -15.036 1.00 0.00 N ATOM 624 CA PRO A 44 -5.742 -1.761 -15.688 1.00 0.00 C ATOM 625 C PRO A 44 -6.904 -1.869 -14.706 1.00 0.00 C ATOM 626 O PRO A 44 -8.063 -1.700 -15.082 1.00 0.00 O ATOM 627 CB PRO A 44 -5.794 -2.903 -16.706 1.00 0.00 C ATOM 628 CG PRO A 44 -4.896 -3.951 -16.146 1.00 0.00 C ATOM 629 CD PRO A 44 -3.802 -3.216 -15.422 1.00 0.00 C ATOM 0 HA PRO A 44 -5.837 -0.770 -16.133 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.810 -3.277 -16.829 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.454 -2.574 -17.688 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.439 -4.609 -15.468 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.487 -4.578 -16.938 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.453 -3.771 -14.551 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.936 -3.051 -16.063 1.00 0.00 H new ATOM 637 N GLU A 45 -6.584 -2.151 -13.446 1.00 0.00 N ATOM 638 CA GLU A 45 -7.603 -2.281 -12.411 1.00 0.00 C ATOM 639 C GLU A 45 -7.605 -1.062 -11.494 1.00 0.00 C ATOM 640 O GLU A 45 -6.728 -0.204 -11.582 1.00 0.00 O ATOM 641 CB GLU A 45 -7.368 -3.550 -11.590 1.00 0.00 C ATOM 642 CG GLU A 45 -8.074 -4.775 -12.147 1.00 0.00 C ATOM 643 CD GLU A 45 -7.587 -6.066 -11.518 1.00 0.00 C ATOM 644 OE1 GLU A 45 -6.452 -6.485 -11.826 1.00 0.00 O ATOM 645 OE2 GLU A 45 -8.342 -6.657 -10.717 1.00 0.00 O ATOM 0 H GLU A 45 -5.629 -2.293 -13.118 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.575 -2.348 -12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.297 -3.749 -11.542 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.706 -3.379 -10.568 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.147 -4.677 -11.982 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.920 -4.820 -13.225 1.00 0.00 H new ATOM 652 N ASN A 46 -8.599 -0.992 -10.614 1.00 0.00 N ATOM 653 CA ASN A 46 -8.717 0.122 -9.681 1.00 0.00 C ATOM 654 C ASN A 46 -9.092 -0.373 -8.287 1.00 0.00 C ATOM 655 O ASN A 46 -10.184 -0.903 -8.077 1.00 0.00 O ATOM 656 CB ASN A 46 -9.764 1.122 -10.177 1.00 0.00 C ATOM 657 CG ASN A 46 -11.097 0.463 -10.476 1.00 0.00 C ATOM 658 OD1 ASN A 46 -11.160 -0.270 -11.581 1.00 0.00 O flip ATOM 659 ND2 ASN A 46 -12.058 0.612 -9.721 1.00 0.00 N flip ATOM 0 H ASN A 46 -9.334 -1.694 -10.528 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.748 0.618 -9.623 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.906 1.898 -9.425 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.395 1.614 -11.077 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.964 1.185 -8.882 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.949 0.163 -9.934 1.00 0.00 H new ATOM 666 N LEU A 47 -8.180 -0.197 -7.338 1.00 0.00 N ATOM 667 CA LEU A 47 -8.414 -0.625 -5.963 1.00 0.00 C ATOM 668 C LEU A 47 -8.921 0.534 -5.111 1.00 0.00 C ATOM 669 O LEU A 47 -8.836 1.696 -5.511 1.00 0.00 O ATOM 670 CB LEU A 47 -7.129 -1.193 -5.359 1.00 0.00 C ATOM 671 CG LEU A 47 -6.311 -2.113 -6.266 1.00 0.00 C ATOM 672 CD1 LEU A 47 -5.099 -2.654 -5.524 1.00 0.00 C ATOM 673 CD2 LEU A 47 -7.173 -3.253 -6.786 1.00 0.00 C ATOM 0 H LEU A 47 -7.271 0.239 -7.495 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.177 -1.403 -5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.496 -0.360 -5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.389 -1.744 -4.455 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.960 -1.532 -7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.529 -3.307 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.469 -1.825 -5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.429 -3.219 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.574 -3.897 -7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.555 -3.833 -5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.009 -2.847 -7.356 1.00 0.00 H new ATOM 685 N ARG A 48 -9.445 0.211 -3.933 1.00 0.00 N ATOM 686 CA ARG A 48 -9.964 1.226 -3.023 1.00 0.00 C ATOM 687 C ARG A 48 -10.335 0.610 -1.677 1.00 0.00 C ATOM 688 O ARG A 48 -10.536 -0.600 -1.571 1.00 0.00 O ATOM 689 CB ARG A 48 -11.186 1.913 -3.636 1.00 0.00 C ATOM 690 CG ARG A 48 -12.273 0.945 -4.075 1.00 0.00 C ATOM 691 CD ARG A 48 -13.460 1.678 -4.680 1.00 0.00 C ATOM 692 NE ARG A 48 -14.441 2.059 -3.668 1.00 0.00 N ATOM 693 CZ ARG A 48 -15.169 1.183 -2.984 1.00 0.00 C ATOM 694 NH1 ARG A 48 -15.027 -0.117 -3.202 1.00 0.00 N ATOM 695 NH2 ARG A 48 -16.042 1.608 -2.078 1.00 0.00 N ATOM 0 H ARG A 48 -9.521 -0.745 -3.586 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.182 1.968 -2.861 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.604 2.609 -2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.868 2.503 -4.496 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.866 0.245 -4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.605 0.356 -3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.109 2.570 -5.199 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.937 1.042 -5.426 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.575 3.052 -3.476 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.357 -0.447 -3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.588 -0.787 -2.675 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -16.154 2.607 -1.907 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.601 0.935 -1.553 1.00 0.00 H new ATOM 709 N ASP A 49 -10.423 1.451 -0.653 1.00 0.00 N ATOM 710 CA ASP A 49 -10.770 0.990 0.687 1.00 0.00 C ATOM 711 C ASP A 49 -12.109 0.259 0.680 1.00 0.00 C ATOM 712 O ASP A 49 -13.168 0.882 0.741 1.00 0.00 O ATOM 713 CB ASP A 49 -10.825 2.171 1.657 1.00 0.00 C ATOM 714 CG ASP A 49 -12.030 3.060 1.421 1.00 0.00 C ATOM 715 OD1 ASP A 49 -11.989 3.877 0.478 1.00 0.00 O ATOM 716 OD2 ASP A 49 -13.015 2.939 2.179 1.00 0.00 O ATOM 0 H ASP A 49 -10.259 2.455 -0.724 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.998 0.294 1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.849 1.796 2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.915 2.763 1.556 1.00 0.00 H new ATOM 721 N GLY A 50 -12.053 -1.067 0.605 1.00 0.00 N ATOM 722 CA GLY A 50 -13.268 -1.861 0.590 1.00 0.00 C ATOM 723 C GLY A 50 -13.208 -3.030 1.553 1.00 0.00 C ATOM 724 O GLY A 50 -12.332 -3.088 2.416 1.00 0.00 O ATOM 0 H GLY A 50 -11.188 -1.606 0.554 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.116 -1.226 0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.442 -2.234 -0.419 1.00 0.00 H new ATOM 728 N ASP A 51 -14.142 -3.963 1.407 1.00 0.00 N ATOM 729 CA ASP A 51 -14.193 -5.137 2.271 1.00 0.00 C ATOM 730 C ASP A 51 -12.923 -5.971 2.129 1.00 0.00 C ATOM 731 O ASP A 51 -12.098 -6.025 3.042 1.00 0.00 O ATOM 732 CB ASP A 51 -15.418 -5.989 1.939 1.00 0.00 C ATOM 733 CG ASP A 51 -16.675 -5.157 1.774 1.00 0.00 C ATOM 734 OD1 ASP A 51 -16.886 -4.613 0.670 1.00 0.00 O ATOM 735 OD2 ASP A 51 -17.448 -5.051 2.749 1.00 0.00 O ATOM 0 H ASP A 51 -14.875 -3.929 0.698 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.268 -4.795 3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.231 -6.546 1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.572 -6.722 2.731 1.00 0.00 H new ATOM 740 N ARG A 52 -12.775 -6.622 0.980 1.00 0.00 N ATOM 741 CA ARG A 52 -11.607 -7.456 0.720 1.00 0.00 C ATOM 742 C ARG A 52 -10.321 -6.646 0.852 1.00 0.00 C ATOM 743 O ARG A 52 -9.318 -7.135 1.374 1.00 0.00 O ATOM 744 CB ARG A 52 -11.695 -8.070 -0.679 1.00 0.00 C ATOM 745 CG ARG A 52 -11.913 -7.047 -1.781 1.00 0.00 C ATOM 746 CD ARG A 52 -12.632 -7.658 -2.974 1.00 0.00 C ATOM 747 NE ARG A 52 -14.078 -7.710 -2.773 1.00 0.00 N ATOM 748 CZ ARG A 52 -14.870 -6.647 -2.857 1.00 0.00 C ATOM 749 NH1 ARG A 52 -14.360 -5.456 -3.137 1.00 0.00 N ATOM 750 NH2 ARG A 52 -16.176 -6.775 -2.662 1.00 0.00 N ATOM 0 H ARG A 52 -13.448 -6.588 0.215 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.590 -8.256 1.460 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.777 -8.621 -0.883 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.511 -8.792 -0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.495 -6.211 -1.393 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.952 -6.645 -2.101 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.411 -7.075 -3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.254 -8.665 -3.149 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.503 -8.612 -2.556 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.357 -5.354 -3.289 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.971 -4.642 -3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.572 -7.690 -2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.784 -5.958 -2.727 1.00 0.00 H new ATOM 764 N TYR A 53 -10.356 -5.407 0.375 1.00 0.00 N ATOM 765 CA TYR A 53 -9.192 -4.530 0.437 1.00 0.00 C ATOM 766 C TYR A 53 -9.201 -3.703 1.718 1.00 0.00 C ATOM 767 O TYR A 53 -9.919 -2.709 1.824 1.00 0.00 O ATOM 768 CB TYR A 53 -9.160 -3.605 -0.781 1.00 0.00 C ATOM 769 CG TYR A 53 -8.834 -4.317 -2.074 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.559 -4.814 -2.314 1.00 0.00 C ATOM 771 CD2 TYR A 53 -9.801 -4.491 -3.057 1.00 0.00 C ATOM 772 CE1 TYR A 53 -7.257 -5.465 -3.495 1.00 0.00 C ATOM 773 CE2 TYR A 53 -9.508 -5.142 -4.239 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.235 -5.627 -4.454 1.00 0.00 C ATOM 775 OH TYR A 53 -7.939 -6.274 -5.632 1.00 0.00 O ATOM 0 H TYR A 53 -11.178 -4.987 -0.059 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.298 -5.153 0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.129 -3.115 -0.880 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.422 -2.821 -0.612 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.791 -4.689 -1.565 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.798 -4.111 -2.894 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.261 -5.845 -3.666 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.272 -5.271 -4.991 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.738 -6.304 -6.198 1.00 0.00 H new ATOM 785 N ILE A 54 -8.397 -4.122 2.690 1.00 0.00 N ATOM 786 CA ILE A 54 -8.310 -3.420 3.964 1.00 0.00 C ATOM 787 C ILE A 54 -7.287 -2.290 3.901 1.00 0.00 C ATOM 788 O ILE A 54 -6.095 -2.504 4.127 1.00 0.00 O ATOM 789 CB ILE A 54 -7.931 -4.377 5.110 1.00 0.00 C ATOM 790 CG1 ILE A 54 -8.968 -5.495 5.234 1.00 0.00 C ATOM 791 CG2 ILE A 54 -7.809 -3.613 6.420 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.521 -6.639 6.117 1.00 0.00 C ATOM 0 H ILE A 54 -7.797 -4.944 2.619 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.297 -3.003 4.162 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.964 -4.827 4.883 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.893 -5.079 5.633 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.195 -5.881 4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.541 -4.303 7.220 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.037 -2.849 6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.762 -3.138 6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.306 -7.394 6.159 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.613 -7.081 5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.322 -6.267 7.122 1.00 0.00 H new ATOM 804 N LEU A 55 -7.760 -1.088 3.594 1.00 0.00 N ATOM 805 CA LEU A 55 -6.887 0.077 3.503 1.00 0.00 C ATOM 806 C LEU A 55 -6.869 0.849 4.819 1.00 0.00 C ATOM 807 O LEU A 55 -7.851 0.851 5.562 1.00 0.00 O ATOM 808 CB LEU A 55 -7.344 0.994 2.367 1.00 0.00 C ATOM 809 CG LEU A 55 -7.045 0.507 0.949 1.00 0.00 C ATOM 810 CD1 LEU A 55 -7.829 -0.760 0.643 1.00 0.00 C ATOM 811 CD2 LEU A 55 -7.365 1.593 -0.067 1.00 0.00 C ATOM 0 H LEU A 55 -8.743 -0.894 3.404 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.876 -0.273 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.420 1.144 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.874 1.968 2.502 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.982 0.277 0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.603 -1.092 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.550 -1.540 1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.896 -0.557 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.146 1.228 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.421 1.855 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.758 2.474 0.139 1.00 0.00 H new ATOM 823 N ARG A 56 -5.748 1.504 5.099 1.00 0.00 N ATOM 824 CA ARG A 56 -5.603 2.281 6.325 1.00 0.00 C ATOM 825 C ARG A 56 -4.620 3.432 6.127 1.00 0.00 C ATOM 826 O ARG A 56 -3.958 3.523 5.093 1.00 0.00 O ATOM 827 CB ARG A 56 -5.129 1.383 7.469 1.00 0.00 C ATOM 828 CG ARG A 56 -6.215 0.474 8.021 1.00 0.00 C ATOM 829 CD ARG A 56 -5.837 -0.083 9.384 1.00 0.00 C ATOM 830 NE ARG A 56 -6.908 -0.890 9.962 1.00 0.00 N ATOM 831 CZ ARG A 56 -6.826 -1.476 11.151 1.00 0.00 C ATOM 832 NH1 ARG A 56 -5.730 -1.345 11.885 1.00 0.00 N ATOM 833 NH2 ARG A 56 -7.844 -2.194 11.609 1.00 0.00 N ATOM 0 H ARG A 56 -4.927 1.513 4.494 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.578 2.698 6.579 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.298 0.771 7.118 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.746 2.008 8.275 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.150 1.029 8.100 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.390 -0.348 7.327 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.936 -0.690 9.290 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.599 0.740 10.058 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.766 -1.010 9.423 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.946 -0.793 11.537 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.670 -1.796 12.798 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.690 -2.296 11.048 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.781 -2.644 12.522 1.00 0.00 H new ATOM 847 N GLN A 57 -4.533 4.307 7.123 1.00 0.00 N ATOM 848 CA GLN A 57 -3.633 5.452 7.057 1.00 0.00 C ATOM 849 C GLN A 57 -3.421 6.058 8.440 1.00 0.00 C ATOM 850 O GLN A 57 -4.327 6.668 9.006 1.00 0.00 O ATOM 851 CB GLN A 57 -4.190 6.510 6.103 1.00 0.00 C ATOM 852 CG GLN A 57 -3.235 7.667 5.853 1.00 0.00 C ATOM 853 CD GLN A 57 -3.838 8.740 4.969 1.00 0.00 C ATOM 854 OE1 GLN A 57 -5.053 8.940 4.955 1.00 0.00 O ATOM 855 NE2 GLN A 57 -2.989 9.439 4.223 1.00 0.00 N ATOM 0 H GLN A 57 -5.075 4.245 7.985 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.670 5.105 6.681 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.432 6.037 5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.122 6.901 6.511 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.946 8.108 6.807 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.325 7.288 5.388 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.990 9.240 4.266 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.337 10.175 3.608 1.00 0.00 H new ATOM 864 N GLU A 58 -2.217 5.886 8.978 1.00 0.00 N ATOM 865 CA GLU A 58 -1.887 6.416 10.295 1.00 0.00 C ATOM 866 C GLU A 58 -1.109 7.723 10.177 1.00 0.00 C ATOM 867 O GLU A 58 -0.201 7.991 10.962 1.00 0.00 O ATOM 868 CB GLU A 58 -1.072 5.394 11.091 1.00 0.00 C ATOM 869 CG GLU A 58 -1.855 4.146 11.462 1.00 0.00 C ATOM 870 CD GLU A 58 -1.362 3.509 12.747 1.00 0.00 C ATOM 871 OE1 GLU A 58 -0.193 3.073 12.782 1.00 0.00 O ATOM 872 OE2 GLU A 58 -2.146 3.448 13.718 1.00 0.00 O ATOM 0 H GLU A 58 -1.455 5.384 8.522 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.820 6.616 10.822 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.199 5.104 10.507 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.704 5.866 12.002 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.909 4.401 11.569 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.783 3.422 10.651 1.00 0.00 H new ATOM 879 N GLY A 59 -1.473 8.534 9.188 1.00 0.00 N ATOM 880 CA GLY A 59 -0.799 9.803 8.984 1.00 0.00 C ATOM 881 C GLY A 59 -0.024 9.845 7.682 1.00 0.00 C ATOM 882 O GLY A 59 -0.512 9.397 6.644 1.00 0.00 O ATOM 0 H GLY A 59 -2.222 8.335 8.525 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.535 10.607 8.991 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.118 9.987 9.815 1.00 0.00 H new ATOM 886 N THR A 60 1.190 10.385 7.735 1.00 0.00 N ATOM 887 CA THR A 60 2.034 10.487 6.552 1.00 0.00 C ATOM 888 C THR A 60 2.263 9.118 5.921 1.00 0.00 C ATOM 889 O THR A 60 2.577 9.015 4.735 1.00 0.00 O ATOM 890 CB THR A 60 3.398 11.119 6.887 1.00 0.00 C ATOM 891 OG1 THR A 60 3.992 10.442 7.999 1.00 0.00 O ATOM 892 CG2 THR A 60 3.244 12.598 7.210 1.00 0.00 C ATOM 0 H THR A 60 1.610 10.759 8.586 1.00 0.00 H new ATOM 0 HA THR A 60 1.509 11.128 5.844 1.00 0.00 H new ATOM 0 HB THR A 60 4.044 11.019 6.015 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.860 10.849 8.204 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.220 13.023 7.443 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.819 13.116 6.350 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.582 12.716 8.068 1.00 0.00 H new ATOM 900 N ARG A 61 2.103 8.069 6.721 1.00 0.00 N ATOM 901 CA ARG A 61 2.293 6.705 6.240 1.00 0.00 C ATOM 902 C ARG A 61 0.950 6.020 6.003 1.00 0.00 C ATOM 903 O ARG A 61 -0.003 6.224 6.756 1.00 0.00 O ATOM 904 CB ARG A 61 3.119 5.898 7.243 1.00 0.00 C ATOM 905 CG ARG A 61 3.266 4.432 6.871 1.00 0.00 C ATOM 906 CD ARG A 61 2.132 3.596 7.441 1.00 0.00 C ATOM 907 NE ARG A 61 2.546 2.222 7.710 1.00 0.00 N ATOM 908 CZ ARG A 61 3.214 1.855 8.798 1.00 0.00 C ATOM 909 NH1 ARG A 61 3.541 2.756 9.714 1.00 0.00 N ATOM 910 NH2 ARG A 61 3.556 0.585 8.972 1.00 0.00 N ATOM 0 H ARG A 61 1.842 8.137 7.705 1.00 0.00 H new ATOM 0 HA ARG A 61 2.830 6.752 5.292 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.110 6.344 7.327 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.653 5.970 8.226 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.284 4.331 5.786 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.219 4.055 7.242 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.773 4.053 8.363 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.297 3.592 6.740 1.00 0.00 H new ATOM 0 HE ARG A 61 2.309 1.504 7.025 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.280 3.733 9.584 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.054 2.472 10.549 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.306 -0.111 8.270 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.069 0.305 9.808 1.00 0.00 H new ATOM 924 N CYS A 62 0.882 5.210 4.953 1.00 0.00 N ATOM 925 CA CYS A 62 -0.344 4.496 4.616 1.00 0.00 C ATOM 926 C CYS A 62 -0.115 2.988 4.625 1.00 0.00 C ATOM 927 O CYS A 62 1.012 2.521 4.469 1.00 0.00 O ATOM 928 CB CYS A 62 -0.855 4.938 3.244 1.00 0.00 C ATOM 929 SG CYS A 62 -1.073 6.725 3.077 1.00 0.00 S ATOM 0 H CYS A 62 1.662 5.031 4.320 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.094 4.736 5.370 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.157 4.595 2.481 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.808 4.447 3.048 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.255 6.975 2.597 1.00 0.00 H new ATOM 935 N GLU A 63 -1.193 2.233 4.811 1.00 0.00 N ATOM 936 CA GLU A 63 -1.109 0.777 4.844 1.00 0.00 C ATOM 937 C GLU A 63 -2.217 0.149 4.003 1.00 0.00 C ATOM 938 O GLU A 63 -3.390 0.498 4.141 1.00 0.00 O ATOM 939 CB GLU A 63 -1.198 0.271 6.285 1.00 0.00 C ATOM 940 CG GLU A 63 -0.021 0.690 7.150 1.00 0.00 C ATOM 941 CD GLU A 63 -0.308 0.548 8.633 1.00 0.00 C ATOM 942 OE1 GLU A 63 -0.330 -0.598 9.127 1.00 0.00 O ATOM 943 OE2 GLU A 63 -0.509 1.586 9.299 1.00 0.00 O ATOM 0 H GLU A 63 -2.134 2.605 4.941 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.147 0.485 4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.119 0.641 6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.263 -0.817 6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.848 0.085 6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.236 1.726 6.931 1.00 0.00 H new ATOM 950 N LEU A 64 -1.836 -0.779 3.132 1.00 0.00 N ATOM 951 CA LEU A 64 -2.796 -1.457 2.268 1.00 0.00 C ATOM 952 C LEU A 64 -2.716 -2.970 2.446 1.00 0.00 C ATOM 953 O LEU A 64 -1.646 -3.563 2.316 1.00 0.00 O ATOM 954 CB LEU A 64 -2.543 -1.090 0.805 1.00 0.00 C ATOM 955 CG LEU A 64 -3.094 -2.065 -0.237 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.603 -1.916 -0.361 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.422 -1.843 -1.584 1.00 0.00 C ATOM 0 H LEU A 64 -0.869 -1.079 3.005 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.796 -1.129 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.975 -0.107 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.467 -0.999 0.655 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.875 -3.081 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.978 -2.617 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.070 -2.126 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.844 -0.898 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.827 -2.545 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.609 -0.823 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.348 -2.001 -1.485 1.00 0.00 H new ATOM 969 N GLN A 65 -3.856 -3.586 2.743 1.00 0.00 N ATOM 970 CA GLN A 65 -3.914 -5.030 2.937 1.00 0.00 C ATOM 971 C GLN A 65 -4.862 -5.677 1.933 1.00 0.00 C ATOM 972 O GLN A 65 -6.013 -5.262 1.794 1.00 0.00 O ATOM 973 CB GLN A 65 -4.363 -5.357 4.363 1.00 0.00 C ATOM 974 CG GLN A 65 -3.211 -5.518 5.342 1.00 0.00 C ATOM 975 CD GLN A 65 -3.674 -5.566 6.785 1.00 0.00 C ATOM 976 OE1 GLN A 65 -3.300 -6.465 7.539 1.00 0.00 O ATOM 977 NE2 GLN A 65 -4.493 -4.597 7.177 1.00 0.00 N ATOM 0 H GLN A 65 -4.750 -3.108 2.854 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.914 -5.433 2.777 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.022 -4.565 4.718 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.948 -6.277 4.349 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.666 -6.433 5.109 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.513 -4.690 5.216 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.777 -3.872 6.518 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.838 -4.578 8.137 1.00 0.00 H new ATOM 986 N ILE A 66 -4.370 -6.695 1.234 1.00 0.00 N ATOM 987 CA ILE A 66 -5.174 -7.399 0.242 1.00 0.00 C ATOM 988 C ILE A 66 -5.670 -8.735 0.785 1.00 0.00 C ATOM 989 O ILE A 66 -4.970 -9.746 0.707 1.00 0.00 O ATOM 990 CB ILE A 66 -4.379 -7.647 -1.053 1.00 0.00 C ATOM 991 CG1 ILE A 66 -3.776 -6.337 -1.566 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.274 -8.275 -2.112 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.550 -6.534 -2.429 1.00 0.00 C ATOM 0 H ILE A 66 -3.419 -7.050 1.336 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.029 -6.761 0.017 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.565 -8.339 -0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.531 -5.799 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.514 -5.709 -0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.698 -8.444 -3.022 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.660 -9.226 -1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.106 -7.605 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.176 -5.564 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.778 -7.045 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.811 -7.136 -3.300 1.00 0.00 H new ATOM 1005 N CYS A 67 -6.880 -8.733 1.332 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.471 -9.945 1.887 1.00 0.00 C ATOM 1007 C CYS A 67 -7.762 -10.961 0.787 1.00 0.00 C ATOM 1008 O CYS A 67 -8.575 -10.712 -0.103 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.758 -9.611 2.643 1.00 0.00 C ATOM 1010 SG CYS A 67 -9.250 -10.862 3.851 1.00 0.00 S ATOM 0 H CYS A 67 -7.471 -7.905 1.403 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.754 -10.383 2.581 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.629 -8.658 3.155 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.566 -9.479 1.923 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.347 -10.489 4.440 1.00 0.00 H new ATOM 1016 N GLY A 68 -7.091 -12.106 0.853 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.290 -13.142 -0.145 1.00 0.00 C ATOM 1018 C GLY A 68 -6.292 -13.051 -1.281 1.00 0.00 C ATOM 1019 O GLY A 68 -6.637 -12.637 -2.389 1.00 0.00 O ATOM 0 H GLY A 68 -6.413 -12.336 1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.208 -14.120 0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.301 -13.066 -0.546 1.00 0.00 H new ATOM 1023 N LEU A 69 -5.051 -13.439 -1.009 1.00 0.00 N ATOM 1024 CA LEU A 69 -3.998 -13.398 -2.018 1.00 0.00 C ATOM 1025 C LEU A 69 -4.117 -14.578 -2.977 1.00 0.00 C ATOM 1026 O LEU A 69 -4.781 -15.570 -2.677 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.623 -13.407 -1.348 1.00 0.00 C ATOM 1028 CG LEU A 69 -2.151 -12.074 -0.766 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -0.993 -12.292 0.196 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.750 -11.118 -1.879 1.00 0.00 C ATOM 0 H LEU A 69 -4.749 -13.786 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.111 -12.477 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.636 -14.146 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.887 -13.742 -2.079 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.977 -11.628 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.670 -11.333 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.315 -12.940 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.163 -12.760 -0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.417 -10.175 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.939 -11.557 -2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.606 -10.937 -2.529 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.467 -14.464 -4.130 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.496 -15.523 -5.131 1.00 0.00 C ATOM 1044 C ALA A 70 -2.514 -15.237 -6.262 1.00 0.00 C ATOM 1045 O ALA A 70 -2.204 -14.082 -6.550 1.00 0.00 O ATOM 1046 CB ALA A 70 -4.904 -15.690 -5.682 1.00 0.00 C ATOM 0 H ALA A 70 -2.914 -13.649 -4.394 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.194 -16.453 -4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.911 -16.484 -6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.584 -15.949 -4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.228 -14.757 -6.142 1.00 0.00 H new ATOM 1052 N MET A 71 -2.027 -16.297 -6.899 1.00 0.00 N ATOM 1053 CA MET A 71 -1.080 -16.159 -7.999 1.00 0.00 C ATOM 1054 C MET A 71 -1.422 -14.948 -8.862 1.00 0.00 C ATOM 1055 O MET A 71 -0.534 -14.281 -9.393 1.00 0.00 O ATOM 1056 CB MET A 71 -1.073 -17.425 -8.857 1.00 0.00 C ATOM 1057 CG MET A 71 -0.608 -18.664 -8.108 1.00 0.00 C ATOM 1058 SD MET A 71 1.174 -18.914 -8.217 1.00 0.00 S ATOM 1059 CE MET A 71 1.696 -18.334 -6.605 1.00 0.00 C ATOM 0 H MET A 71 -2.273 -17.261 -6.672 1.00 0.00 H new ATOM 0 HA MET A 71 -0.087 -16.012 -7.574 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.078 -17.599 -9.242 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.425 -17.267 -9.719 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.896 -18.579 -7.060 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.119 -19.539 -8.509 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.650 -18.793 -6.344 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.809 -17.250 -6.627 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.947 -18.605 -5.861 1.00 0.00 H new ATOM 1069 N ALA A 72 -2.714 -14.670 -8.998 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.173 -13.539 -9.795 1.00 0.00 C ATOM 1071 C ALA A 72 -2.755 -12.216 -9.162 1.00 0.00 C ATOM 1072 O ALA A 72 -2.164 -11.361 -9.821 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.684 -13.591 -9.965 1.00 0.00 C ATOM 0 H ALA A 72 -3.462 -15.213 -8.566 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.706 -13.605 -10.778 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.012 -12.740 -10.562 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.962 -14.517 -10.469 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.162 -13.553 -8.986 1.00 0.00 H new ATOM 1079 N ASP A 73 -3.067 -12.055 -7.880 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.723 -10.835 -7.158 1.00 0.00 C ATOM 1081 C ASP A 73 -1.298 -10.396 -7.480 1.00 0.00 C ATOM 1082 O ASP A 73 -1.001 -9.203 -7.526 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.877 -11.049 -5.651 1.00 0.00 C ATOM 1084 CG ASP A 73 -3.250 -9.775 -4.921 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -4.264 -9.151 -5.298 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -2.529 -9.401 -3.972 1.00 0.00 O ATOM 0 H ASP A 73 -3.557 -12.753 -7.320 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.406 -10.048 -7.477 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.641 -11.805 -5.471 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.943 -11.437 -5.245 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.420 -11.370 -7.699 1.00 0.00 N ATOM 1092 CA ALA A 74 0.974 -11.084 -8.017 1.00 0.00 C ATOM 1093 C ALA A 74 1.089 -10.292 -9.315 1.00 0.00 C ATOM 1094 O ALA A 74 0.652 -10.746 -10.371 1.00 0.00 O ATOM 1095 CB ALA A 74 1.769 -12.377 -8.112 1.00 0.00 C ATOM 0 H ALA A 74 -0.649 -12.363 -7.662 1.00 0.00 H new ATOM 0 HA ALA A 74 1.388 -10.475 -7.213 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.808 -12.149 -8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.722 -12.904 -7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.347 -13.007 -8.895 1.00 0.00 H new ATOM 1101 N GLY A 75 1.681 -9.104 -9.228 1.00 0.00 N ATOM 1102 CA GLY A 75 1.843 -8.268 -10.403 1.00 0.00 C ATOM 1103 C GLY A 75 2.479 -6.931 -10.080 1.00 0.00 C ATOM 1104 O GLY A 75 3.637 -6.871 -9.670 1.00 0.00 O ATOM 0 H GLY A 75 2.051 -8.706 -8.365 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.457 -8.791 -11.136 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.869 -8.102 -10.864 1.00 0.00 H new ATOM 1108 N GLU A 76 1.720 -5.856 -10.267 1.00 0.00 N ATOM 1109 CA GLU A 76 2.218 -4.513 -9.994 1.00 0.00 C ATOM 1110 C GLU A 76 1.162 -3.674 -9.281 1.00 0.00 C ATOM 1111 O GLU A 76 -0.022 -3.735 -9.613 1.00 0.00 O ATOM 1112 CB GLU A 76 2.636 -3.826 -11.296 1.00 0.00 C ATOM 1113 CG GLU A 76 3.423 -2.544 -11.083 1.00 0.00 C ATOM 1114 CD GLU A 76 4.919 -2.782 -11.016 1.00 0.00 C ATOM 1115 OE1 GLU A 76 5.367 -3.863 -11.451 1.00 0.00 O ATOM 1116 OE2 GLU A 76 5.642 -1.888 -10.529 1.00 0.00 O ATOM 0 H GLU A 76 0.759 -5.889 -10.606 1.00 0.00 H new ATOM 0 HA GLU A 76 3.087 -4.602 -9.342 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.238 -4.518 -11.885 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.744 -3.602 -11.881 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.205 -1.849 -11.894 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.093 -2.069 -10.159 1.00 0.00 H new ATOM 1123 N TYR A 77 1.599 -2.893 -8.299 1.00 0.00 N ATOM 1124 CA TYR A 77 0.691 -2.045 -7.536 1.00 0.00 C ATOM 1125 C TYR A 77 1.157 -0.592 -7.556 1.00 0.00 C ATOM 1126 O TYR A 77 2.306 -0.292 -7.227 1.00 0.00 O ATOM 1127 CB TYR A 77 0.589 -2.540 -6.093 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.117 -3.870 -5.957 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.527 -5.057 -6.284 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.428 -3.940 -5.503 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.114 -6.275 -6.163 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.077 -5.153 -5.377 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.415 -6.318 -5.708 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.058 -7.528 -5.585 1.00 0.00 O ATOM 0 H TYR A 77 2.576 -2.830 -8.013 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.293 -2.098 -8.001 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.592 -2.627 -5.676 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.060 -1.795 -5.499 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.547 -5.027 -6.639 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.949 -3.030 -5.244 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.401 -7.188 -6.423 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.096 -5.189 -5.022 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.724 -7.997 -4.792 1.00 0.00 H new ATOM 1144 N LEU A 78 0.258 0.306 -7.943 1.00 0.00 N ATOM 1145 CA LEU A 78 0.575 1.728 -8.005 1.00 0.00 C ATOM 1146 C LEU A 78 -0.192 2.504 -6.940 1.00 0.00 C ATOM 1147 O LEU A 78 -1.351 2.202 -6.651 1.00 0.00 O ATOM 1148 CB LEU A 78 0.246 2.283 -9.392 1.00 0.00 C ATOM 1149 CG LEU A 78 1.242 1.946 -10.503 1.00 0.00 C ATOM 1150 CD1 LEU A 78 2.337 2.999 -10.576 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.841 0.565 -10.282 1.00 0.00 C ATOM 0 H LEU A 78 -0.696 0.074 -8.219 1.00 0.00 H new ATOM 0 HA LEU A 78 1.642 1.846 -7.816 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.736 1.912 -9.687 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.168 3.368 -9.318 1.00 0.00 H new ATOM 0 HG LEU A 78 0.708 1.940 -11.453 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.036 2.742 -11.372 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.892 3.972 -10.783 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.868 3.038 -9.625 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.547 0.342 -11.082 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.360 0.542 -9.324 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.046 -0.181 -10.282 1.00 0.00 H new ATOM 1163 N CYS A 79 0.460 3.505 -6.360 1.00 0.00 N ATOM 1164 CA CYS A 79 -0.161 4.327 -5.327 1.00 0.00 C ATOM 1165 C CYS A 79 -0.092 5.805 -5.693 1.00 0.00 C ATOM 1166 O CYS A 79 0.970 6.425 -5.623 1.00 0.00 O ATOM 1167 CB CYS A 79 0.522 4.090 -3.979 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.430 4.672 -2.557 1.00 0.00 S ATOM 0 H CYS A 79 1.419 3.767 -6.587 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.210 4.040 -5.250 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.713 3.023 -3.863 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.491 4.588 -3.982 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.100 3.681 -2.048 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.231 6.366 -6.086 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.301 7.773 -6.464 1.00 0.00 C ATOM 1176 C VAL A 80 -1.698 8.642 -5.277 1.00 0.00 C ATOM 1177 O VAL A 80 -2.650 8.333 -4.559 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.306 7.997 -7.610 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.186 9.411 -8.156 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.093 6.971 -8.712 1.00 0.00 C ATOM 0 H VAL A 80 -2.119 5.868 -6.151 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.305 8.060 -6.803 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.315 7.870 -7.217 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.903 9.551 -8.965 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.392 10.127 -7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.177 9.570 -8.535 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.811 7.144 -9.514 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.081 7.064 -9.105 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.234 5.969 -8.308 1.00 0.00 H new ATOM 1190 N CYS A 81 -0.964 9.731 -5.076 1.00 0.00 N ATOM 1191 CA CYS A 81 -1.240 10.647 -3.974 1.00 0.00 C ATOM 1192 C CYS A 81 -1.286 12.090 -4.466 1.00 0.00 C ATOM 1193 O CYS A 81 -0.437 12.905 -4.109 1.00 0.00 O ATOM 1194 CB CYS A 81 -0.177 10.500 -2.884 1.00 0.00 C ATOM 1195 SG CYS A 81 -0.773 10.874 -1.218 1.00 0.00 S ATOM 0 H CYS A 81 -0.174 10.001 -5.661 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.215 10.393 -3.557 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.207 9.480 -2.901 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.660 11.159 -3.116 1.00 0.00 H new ATOM 0 HG CYS A 81 -1.387 12.020 -1.224 1.00 0.00 H new ATOM 1201 N GLY A 82 -2.284 12.398 -5.289 1.00 0.00 N ATOM 1202 CA GLY A 82 -2.422 13.742 -5.817 1.00 0.00 C ATOM 1203 C GLY A 82 -1.886 13.867 -7.230 1.00 0.00 C ATOM 1204 O GLY A 82 -2.538 13.451 -8.186 1.00 0.00 O ATOM 0 H GLY A 82 -2.999 11.740 -5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.474 14.028 -5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.894 14.440 -5.168 1.00 0.00 H new ATOM 1208 N GLN A 83 -0.695 14.444 -7.360 1.00 0.00 N ATOM 1209 CA GLN A 83 -0.074 14.625 -8.667 1.00 0.00 C ATOM 1210 C GLN A 83 1.100 13.669 -8.848 1.00 0.00 C ATOM 1211 O GLN A 83 1.717 13.624 -9.912 1.00 0.00 O ATOM 1212 CB GLN A 83 0.400 16.070 -8.834 1.00 0.00 C ATOM 1213 CG GLN A 83 -0.726 17.090 -8.772 1.00 0.00 C ATOM 1214 CD GLN A 83 -0.360 18.403 -9.437 1.00 0.00 C ATOM 1215 OE1 GLN A 83 0.682 18.517 -10.082 1.00 0.00 O ATOM 1216 NE2 GLN A 83 -1.219 19.404 -9.282 1.00 0.00 N ATOM 0 H GLN A 83 -0.142 14.793 -6.577 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.820 14.404 -9.430 1.00 0.00 H new ATOM 0 HB2 GLN A 83 1.128 16.297 -8.055 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.915 16.167 -9.790 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.612 16.677 -9.254 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.987 17.275 -7.730 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.071 19.265 -8.739 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.027 20.311 -9.706 1.00 0.00 H new ATOM 1225 N GLU A 84 1.403 12.906 -7.802 1.00 0.00 N ATOM 1226 CA GLU A 84 2.504 11.952 -7.847 1.00 0.00 C ATOM 1227 C GLU A 84 2.008 10.535 -7.572 1.00 0.00 C ATOM 1228 O GLU A 84 0.855 10.333 -7.190 1.00 0.00 O ATOM 1229 CB GLU A 84 3.581 12.333 -6.830 1.00 0.00 C ATOM 1230 CG GLU A 84 3.024 12.727 -5.472 1.00 0.00 C ATOM 1231 CD GLU A 84 2.651 11.526 -4.624 1.00 0.00 C ATOM 1232 OE1 GLU A 84 1.698 10.810 -4.998 1.00 0.00 O ATOM 1233 OE2 GLU A 84 3.311 11.302 -3.589 1.00 0.00 O ATOM 0 H GLU A 84 0.902 12.930 -6.914 1.00 0.00 H new ATOM 0 HA GLU A 84 2.934 11.980 -8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.263 11.492 -6.703 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.167 13.162 -7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.763 13.327 -4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.144 13.355 -5.613 1.00 0.00 H new ATOM 1240 N ARG A 85 2.887 9.558 -7.769 1.00 0.00 N ATOM 1241 CA ARG A 85 2.538 8.160 -7.544 1.00 0.00 C ATOM 1242 C ARG A 85 3.777 7.272 -7.620 1.00 0.00 C ATOM 1243 O ARG A 85 4.804 7.665 -8.174 1.00 0.00 O ATOM 1244 CB ARG A 85 1.503 7.698 -8.572 1.00 0.00 C ATOM 1245 CG ARG A 85 2.049 7.607 -9.987 1.00 0.00 C ATOM 1246 CD ARG A 85 0.970 7.190 -10.974 1.00 0.00 C ATOM 1247 NE ARG A 85 -0.094 8.186 -11.075 1.00 0.00 N ATOM 1248 CZ ARG A 85 -1.100 8.102 -11.938 1.00 0.00 C ATOM 1249 NH1 ARG A 85 -1.179 7.073 -12.771 1.00 0.00 N ATOM 1250 NH2 ARG A 85 -2.030 9.047 -11.969 1.00 0.00 N ATOM 0 H ARG A 85 3.846 9.708 -8.084 1.00 0.00 H new ATOM 0 HA ARG A 85 2.111 8.075 -6.545 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.120 6.721 -8.276 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.659 8.388 -8.561 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.461 8.572 -10.282 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.868 6.889 -10.017 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.417 7.036 -11.956 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.545 6.235 -10.664 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.063 8.990 -10.448 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.466 6.344 -12.750 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.953 7.011 -13.433 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.973 9.840 -11.330 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.802 8.981 -12.632 1.00 0.00 H new ATOM 1264 N THR A 86 3.673 6.072 -7.057 1.00 0.00 N ATOM 1265 CA THR A 86 4.784 5.128 -7.059 1.00 0.00 C ATOM 1266 C THR A 86 4.317 3.730 -7.446 1.00 0.00 C ATOM 1267 O THR A 86 3.219 3.309 -7.082 1.00 0.00 O ATOM 1268 CB THR A 86 5.470 5.066 -5.681 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.357 3.943 -5.626 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.439 4.959 -4.568 1.00 0.00 C ATOM 0 H THR A 86 2.831 5.731 -6.594 1.00 0.00 H new ATOM 0 HA THR A 86 5.501 5.485 -7.798 1.00 0.00 H new ATOM 0 HB THR A 86 6.039 5.985 -5.541 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.235 4.235 -5.302 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.947 4.917 -3.604 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.783 5.829 -4.595 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.847 4.054 -4.706 1.00 0.00 H new ATOM 1278 N SER A 87 5.159 3.013 -8.184 1.00 0.00 N ATOM 1279 CA SER A 87 4.830 1.662 -8.623 1.00 0.00 C ATOM 1280 C SER A 87 5.641 0.627 -7.849 1.00 0.00 C ATOM 1281 O SER A 87 6.749 0.906 -7.392 1.00 0.00 O ATOM 1282 CB SER A 87 5.091 1.512 -10.123 1.00 0.00 C ATOM 1283 OG SER A 87 6.481 1.462 -10.397 1.00 0.00 O ATOM 0 H SER A 87 6.074 3.345 -8.490 1.00 0.00 H new ATOM 0 HA SER A 87 3.772 1.491 -8.427 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.612 0.604 -10.490 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.641 2.348 -10.659 1.00 0.00 H new ATOM 0 HG SER A 87 6.621 1.364 -11.362 1.00 0.00 H new ATOM 1289 N ALA A 88 5.080 -0.569 -7.706 1.00 0.00 N ATOM 1290 CA ALA A 88 5.751 -1.647 -6.990 1.00 0.00 C ATOM 1291 C ALA A 88 5.410 -3.004 -7.595 1.00 0.00 C ATOM 1292 O ALA A 88 4.591 -3.100 -8.511 1.00 0.00 O ATOM 1293 CB ALA A 88 5.374 -1.615 -5.516 1.00 0.00 C ATOM 0 H ALA A 88 4.162 -0.816 -8.077 1.00 0.00 H new ATOM 0 HA ALA A 88 6.827 -1.497 -7.083 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.882 -2.425 -4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.674 -0.660 -5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.296 -1.737 -5.414 1.00 0.00 H new ATOM 1299 N THR A 89 6.043 -4.053 -7.080 1.00 0.00 N ATOM 1300 CA THR A 89 5.809 -5.405 -7.571 1.00 0.00 C ATOM 1301 C THR A 89 5.641 -6.388 -6.418 1.00 0.00 C ATOM 1302 O THR A 89 6.523 -6.519 -5.568 1.00 0.00 O ATOM 1303 CB THR A 89 6.961 -5.882 -8.475 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.147 -4.965 -9.558 1.00 0.00 O ATOM 1305 CG2 THR A 89 6.679 -7.273 -9.023 1.00 0.00 C ATOM 0 H THR A 89 6.723 -3.992 -6.322 1.00 0.00 H new ATOM 0 HA THR A 89 4.889 -5.374 -8.155 1.00 0.00 H new ATOM 0 HB THR A 89 7.870 -5.923 -7.875 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.287 -4.797 -9.996 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.507 -7.588 -9.658 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.569 -7.974 -8.196 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.759 -7.254 -9.608 1.00 0.00 H new ATOM 1313 N LEU A 90 4.506 -7.077 -6.395 1.00 0.00 N ATOM 1314 CA LEU A 90 4.223 -8.050 -5.345 1.00 0.00 C ATOM 1315 C LEU A 90 4.433 -9.474 -5.852 1.00 0.00 C ATOM 1316 O LEU A 90 4.253 -9.756 -7.037 1.00 0.00 O ATOM 1317 CB LEU A 90 2.789 -7.883 -4.840 1.00 0.00 C ATOM 1318 CG LEU A 90 2.287 -8.958 -3.876 1.00 0.00 C ATOM 1319 CD1 LEU A 90 2.972 -8.826 -2.525 1.00 0.00 C ATOM 1320 CD2 LEU A 90 0.776 -8.872 -3.721 1.00 0.00 C ATOM 0 H LEU A 90 3.767 -6.980 -7.091 1.00 0.00 H new ATOM 0 HA LEU A 90 4.914 -7.871 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.710 -6.915 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.122 -7.857 -5.702 1.00 0.00 H new ATOM 0 HG LEU A 90 2.534 -9.935 -4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.602 -9.600 -1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.049 -8.939 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.757 -7.844 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.436 -9.645 -3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.506 -7.891 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.302 -9.018 -4.692 1.00 0.00 H new ATOM 1332 N THR A 91 4.813 -10.369 -4.945 1.00 0.00 N ATOM 1333 CA THR A 91 5.046 -11.763 -5.299 1.00 0.00 C ATOM 1334 C THR A 91 4.211 -12.698 -4.431 1.00 0.00 C ATOM 1335 O THR A 91 4.147 -12.536 -3.212 1.00 0.00 O ATOM 1336 CB THR A 91 6.533 -12.139 -5.154 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.329 -11.335 -6.032 1.00 0.00 O ATOM 1338 CG2 THR A 91 6.753 -13.611 -5.467 1.00 0.00 C ATOM 0 H THR A 91 4.966 -10.153 -3.960 1.00 0.00 H new ATOM 0 HA THR A 91 4.750 -11.877 -6.342 1.00 0.00 H new ATOM 0 HB THR A 91 6.832 -11.955 -4.122 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.273 -11.579 -5.933 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.810 -13.852 -5.358 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.169 -14.221 -4.778 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.438 -13.817 -6.490 1.00 0.00 H new ATOM 1346 N ILE A 92 3.574 -13.675 -5.066 1.00 0.00 N ATOM 1347 CA ILE A 92 2.744 -14.637 -4.351 1.00 0.00 C ATOM 1348 C ILE A 92 3.387 -16.019 -4.343 1.00 0.00 C ATOM 1349 O ILE A 92 3.892 -16.486 -5.364 1.00 0.00 O ATOM 1350 CB ILE A 92 1.339 -14.740 -4.972 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.704 -13.352 -5.085 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.460 -15.665 -4.144 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.533 -12.656 -3.753 1.00 0.00 C ATOM 0 H ILE A 92 3.616 -13.822 -6.074 1.00 0.00 H new ATOM 0 HA ILE A 92 2.653 -14.275 -3.327 1.00 0.00 H new ATOM 0 HB ILE A 92 1.431 -15.159 -5.974 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.321 -12.731 -5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.270 -13.445 -5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.530 -15.727 -4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.907 -16.659 -4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.372 -15.273 -3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.078 -11.678 -3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.109 -13.256 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.507 -12.531 -3.280 1.00 0.00 H new ATOM 1365 N ARG A 93 3.363 -16.671 -3.185 1.00 0.00 N ATOM 1366 CA ARG A 93 3.943 -18.001 -3.044 1.00 0.00 C ATOM 1367 C ARG A 93 2.851 -19.057 -2.899 1.00 0.00 C ATOM 1368 O ARG A 93 2.004 -18.971 -2.011 1.00 0.00 O ATOM 1369 CB ARG A 93 4.877 -18.048 -1.833 1.00 0.00 C ATOM 1370 CG ARG A 93 6.268 -17.504 -2.116 1.00 0.00 C ATOM 1371 CD ARG A 93 7.048 -18.422 -3.043 1.00 0.00 C ATOM 1372 NE ARG A 93 8.491 -18.261 -2.886 1.00 0.00 N ATOM 1373 CZ ARG A 93 9.387 -18.991 -3.541 1.00 0.00 C ATOM 1374 NH1 ARG A 93 8.991 -19.928 -4.391 1.00 0.00 N ATOM 1375 NH2 ARG A 93 10.683 -18.785 -3.345 1.00 0.00 N ATOM 0 H ARG A 93 2.948 -16.299 -2.331 1.00 0.00 H new ATOM 0 HA ARG A 93 4.517 -18.217 -3.945 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.431 -17.477 -1.019 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.962 -19.079 -1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.188 -16.514 -2.565 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.811 -17.385 -1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.775 -19.458 -2.841 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.770 -18.214 -4.076 1.00 0.00 H new ATOM 0 HE ARG A 93 8.829 -17.549 -2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.996 -20.090 -4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.682 -20.487 -4.892 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.992 -18.066 -2.691 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.370 -19.346 -3.848 1.00 0.00 H new ATOM 1389 N ALA A 94 2.879 -20.054 -3.778 1.00 0.00 N ATOM 1390 CA ALA A 94 1.894 -21.128 -3.747 1.00 0.00 C ATOM 1391 C ALA A 94 1.889 -21.830 -2.393 1.00 0.00 C ATOM 1392 O ALA A 94 2.907 -22.371 -1.959 1.00 0.00 O ATOM 1393 CB ALA A 94 2.167 -22.127 -4.861 1.00 0.00 C ATOM 0 H ALA A 94 3.573 -20.140 -4.520 1.00 0.00 H new ATOM 0 HA ALA A 94 0.909 -20.688 -3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.424 -22.923 -4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.111 -21.621 -5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.162 -22.553 -4.732 1.00 0.00 H new ATOM 1399 N LEU A 95 0.739 -21.816 -1.729 1.00 0.00 N ATOM 1400 CA LEU A 95 0.602 -22.451 -0.423 1.00 0.00 C ATOM 1401 C LEU A 95 0.443 -23.961 -0.566 1.00 0.00 C ATOM 1402 O LEU A 95 -0.125 -24.462 -1.536 1.00 0.00 O ATOM 1403 CB LEU A 95 -0.599 -21.869 0.326 1.00 0.00 C ATOM 1404 CG LEU A 95 -1.976 -22.220 -0.239 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -2.353 -23.648 0.122 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -3.026 -21.244 0.271 1.00 0.00 C ATOM 0 H LEU A 95 -0.112 -21.372 -2.073 1.00 0.00 H new ATOM 0 HA LEU A 95 1.509 -22.252 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.556 -22.208 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.501 -20.784 0.342 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.933 -22.141 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.336 -23.880 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.615 -24.335 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.379 -23.754 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.000 -21.509 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.068 -21.290 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.764 -20.233 -0.039 1.00 0.00 H new