USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 531 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 39 SER OG : rot -79:sc= 1.22 USER MOD Set 1.2: A 41 ASN : amide:sc= 1.12 K(o=2.3,f=-3.1) USER MOD Set 2.1: A 18 HIS : no HE2:sc= 0.272 K(o=0.57,f=-0.026) USER MOD Set 2.2: A 22 THR OG1 : rot 141:sc= 0.296 USER MOD Set 2.3: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 5 THR OG1 : rot -90:sc= 1.24 USER MOD Set 3.2: A 8 GLN : amide:sc= 1.04 X(o=2.3,f=1.9) USER MOD Set 3.3: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.56 K(o=0.56,f=-0.16) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.203 K(o=0.2,f=-1.3) USER MOD Single : A 27 THR OG1 : rot -71:sc= 0.492 USER MOD Single : A 33 GLN : amide:sc=-0.00469 X(o=-0.0047,f=-0.17) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.241) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 49:sc= 0.398 USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 4 -9.753 -0.934 -8.749 1.00 0.00 N ATOM 51 CA LEU A 4 -9.269 -1.683 -7.569 1.00 0.00 C ATOM 52 C LEU A 4 -10.488 -2.137 -6.688 1.00 0.00 C ATOM 53 O LEU A 4 -11.465 -1.400 -6.518 1.00 0.00 O ATOM 54 CB LEU A 4 -8.339 -0.781 -6.707 1.00 0.00 C ATOM 55 CG LEU A 4 -7.000 -0.358 -7.339 1.00 0.00 C ATOM 56 CD1 LEU A 4 -6.275 0.631 -6.414 1.00 0.00 C ATOM 57 CD2 LEU A 4 -6.076 -1.539 -7.626 1.00 0.00 C ATOM 0 HA LEU A 4 -8.716 -2.556 -7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.890 0.122 -6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.124 -1.306 -5.776 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.240 0.110 -8.294 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.329 0.926 -6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.897 1.514 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.084 0.156 -5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.149 -1.176 -8.071 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.852 -2.060 -6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.566 -2.225 -8.317 1.00 0.00 H new ATOM 69 N THR A 5 -10.398 -3.324 -6.071 1.00 0.00 N ATOM 70 CA THR A 5 -11.374 -3.740 -5.012 1.00 0.00 C ATOM 71 C THR A 5 -11.288 -2.848 -3.715 1.00 0.00 C ATOM 72 O THR A 5 -10.259 -2.218 -3.461 1.00 0.00 O ATOM 73 CB THR A 5 -11.215 -5.248 -4.628 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.941 -5.527 -4.056 1.00 0.00 O ATOM 75 CG2 THR A 5 -11.415 -6.234 -5.774 1.00 0.00 C ATOM 0 H THR A 5 -9.676 -4.016 -6.272 1.00 0.00 H new ATOM 0 HA THR A 5 -12.360 -3.593 -5.454 1.00 0.00 H new ATOM 0 HB THR A 5 -12.018 -5.395 -3.906 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.308 -5.764 -4.766 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.284 -7.251 -5.406 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.421 -6.122 -6.179 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.684 -6.035 -6.557 1.00 0.00 H new ATOM 83 N ALA A 6 -12.355 -2.795 -2.900 1.00 0.00 N ATOM 84 CA ALA A 6 -12.404 -1.914 -1.695 1.00 0.00 C ATOM 85 C ALA A 6 -11.195 -1.967 -0.697 1.00 0.00 C ATOM 86 O ALA A 6 -10.624 -0.918 -0.391 1.00 0.00 O ATOM 87 CB ALA A 6 -13.747 -2.185 -1.001 1.00 0.00 C ATOM 0 H ALA A 6 -13.200 -3.347 -3.044 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.313 -0.889 -2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.829 -1.561 -0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.563 -1.951 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.803 -3.235 -0.715 1.00 0.00 H new ATOM 93 N ARG A 7 -10.762 -3.165 -0.273 1.00 0.00 N ATOM 94 CA ARG A 7 -9.515 -3.327 0.518 1.00 0.00 C ATOM 95 C ARG A 7 -8.166 -3.004 -0.235 1.00 0.00 C ATOM 96 O ARG A 7 -7.293 -2.386 0.378 1.00 0.00 O ATOM 97 CB ARG A 7 -9.458 -4.736 1.144 1.00 0.00 C ATOM 98 CG ARG A 7 -10.509 -5.093 2.213 1.00 0.00 C ATOM 99 CD ARG A 7 -10.540 -4.143 3.416 1.00 0.00 C ATOM 100 NE ARG A 7 -11.168 -4.827 4.571 1.00 0.00 N ATOM 101 CZ ARG A 7 -11.177 -4.367 5.814 1.00 0.00 C ATOM 102 NH1 ARG A 7 -10.684 -3.222 6.182 1.00 0.00 N ATOM 103 NH2 ARG A 7 -11.701 -5.114 6.723 1.00 0.00 N ATOM 0 H ARG A 7 -11.251 -4.040 -0.461 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.582 -2.560 1.290 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.541 -5.464 0.337 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.471 -4.865 1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -11.494 -5.101 1.747 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -10.317 -6.105 2.570 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.528 -3.830 3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.099 -3.241 3.166 1.00 0.00 H new ATOM 0 HE ARG A 7 -11.629 -5.720 4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.252 -2.607 5.492 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.730 -2.938 7.161 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -12.090 -6.024 6.474 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -11.727 -4.796 7.692 1.00 0.00 H new ATOM 116 N GLN A 8 -8.003 -3.352 -1.525 1.00 0.00 N ATOM 117 CA GLN A 8 -6.915 -2.794 -2.378 1.00 0.00 C ATOM 118 C GLN A 8 -6.879 -1.216 -2.493 1.00 0.00 C ATOM 119 O GLN A 8 -5.810 -0.636 -2.321 1.00 0.00 O ATOM 120 CB GLN A 8 -7.016 -3.367 -3.815 1.00 0.00 C ATOM 121 CG GLN A 8 -6.710 -4.865 -3.982 1.00 0.00 C ATOM 122 CD GLN A 8 -6.874 -5.302 -5.434 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.981 -5.553 -5.899 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.820 -5.352 -6.207 1.00 0.00 N ATOM 0 H GLN A 8 -8.607 -4.017 -2.008 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.998 -3.095 -1.871 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.024 -3.182 -4.186 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.334 -2.807 -4.454 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.692 -5.070 -3.650 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.376 -5.448 -3.346 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.897 -5.144 -5.825 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.921 -5.599 -7.192 1.00 0.00 H new ATOM 133 N GLN A 9 -8.015 -0.555 -2.761 1.00 0.00 N ATOM 134 CA GLN A 9 -8.122 0.931 -2.760 1.00 0.00 C ATOM 135 C GLN A 9 -7.845 1.622 -1.378 1.00 0.00 C ATOM 136 O GLN A 9 -7.130 2.626 -1.345 1.00 0.00 O ATOM 137 CB GLN A 9 -9.512 1.282 -3.341 1.00 0.00 C ATOM 138 CG GLN A 9 -9.704 2.739 -3.819 1.00 0.00 C ATOM 139 CD GLN A 9 -9.000 3.095 -5.122 1.00 0.00 C ATOM 140 OE1 GLN A 9 -9.381 2.656 -6.199 1.00 0.00 O ATOM 141 NE2 GLN A 9 -7.963 3.891 -5.092 1.00 0.00 N ATOM 0 H GLN A 9 -8.891 -1.026 -2.986 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.323 1.337 -3.380 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.710 0.617 -4.182 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.264 1.069 -2.582 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.771 2.927 -3.939 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.348 3.410 -3.038 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.633 4.265 -4.202 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.484 4.138 -5.958 1.00 0.00 H new ATOM 150 N GLU A 10 -8.344 1.074 -0.257 1.00 0.00 N ATOM 151 CA GLU A 10 -7.876 1.440 1.111 1.00 0.00 C ATOM 152 C GLU A 10 -6.324 1.285 1.352 1.00 0.00 C ATOM 153 O GLU A 10 -5.704 2.246 1.803 1.00 0.00 O ATOM 154 CB GLU A 10 -8.656 0.597 2.160 1.00 0.00 C ATOM 155 CG GLU A 10 -10.134 0.988 2.350 1.00 0.00 C ATOM 156 CD GLU A 10 -10.926 -0.041 3.146 1.00 0.00 C ATOM 157 OE1 GLU A 10 -11.695 -0.841 2.626 1.00 0.00 O ATOM 158 OE2 GLU A 10 -10.676 0.025 4.486 1.00 0.00 O ATOM 0 H GLU A 10 -9.080 0.367 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.078 2.506 1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.609 -0.452 1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.148 0.682 3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.187 1.951 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.598 1.118 1.372 1.00 0.00 H new ATOM 166 N VAL A 11 -5.721 0.131 1.024 1.00 0.00 N ATOM 167 CA VAL A 11 -4.231 -0.068 1.063 1.00 0.00 C ATOM 168 C VAL A 11 -3.429 0.896 0.126 1.00 0.00 C ATOM 169 O VAL A 11 -2.474 1.520 0.592 1.00 0.00 O ATOM 170 CB VAL A 11 -3.920 -1.590 0.829 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.435 -1.934 0.581 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.351 -2.439 2.049 1.00 0.00 C ATOM 0 H VAL A 11 -6.234 -0.698 0.723 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.872 0.214 2.053 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.484 -1.820 -0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.330 -3.009 0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.083 -1.408 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.842 -1.628 1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.124 -3.488 1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.810 -2.104 2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.422 -2.323 2.213 1.00 0.00 H new ATOM 182 N PHE A 12 -3.811 1.030 -1.151 1.00 0.00 N ATOM 183 CA PHE A 12 -3.165 1.974 -2.098 1.00 0.00 C ATOM 184 C PHE A 12 -3.258 3.493 -1.730 1.00 0.00 C ATOM 185 O PHE A 12 -2.230 4.173 -1.735 1.00 0.00 O ATOM 186 CB PHE A 12 -3.705 1.632 -3.514 1.00 0.00 C ATOM 187 CG PHE A 12 -2.948 2.363 -4.629 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.601 2.061 -4.891 1.00 0.00 C ATOM 189 CD2 PHE A 12 -3.535 3.459 -5.277 1.00 0.00 C ATOM 190 CE1 PHE A 12 -0.844 2.882 -5.718 1.00 0.00 C ATOM 191 CE2 PHE A 12 -2.774 4.272 -6.116 1.00 0.00 C ATOM 192 CZ PHE A 12 -1.430 3.990 -6.324 1.00 0.00 C ATOM 0 H PHE A 12 -4.573 0.493 -1.564 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.086 1.827 -2.048 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.632 0.557 -3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.762 1.892 -3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.151 1.185 -4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.582 3.675 -5.125 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.199 2.661 -5.891 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.230 5.121 -6.604 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.837 4.633 -6.958 1.00 0.00 H new ATOM 202 N ASP A 13 -4.445 4.001 -1.361 1.00 0.00 N ATOM 203 CA ASP A 13 -4.568 5.351 -0.736 1.00 0.00 C ATOM 204 C ASP A 13 -3.768 5.562 0.606 1.00 0.00 C ATOM 205 O ASP A 13 -3.259 6.661 0.817 1.00 0.00 O ATOM 206 CB ASP A 13 -6.059 5.704 -0.530 1.00 0.00 C ATOM 207 CG ASP A 13 -6.787 6.064 -1.813 1.00 0.00 C ATOM 208 OD1 ASP A 13 -6.783 7.190 -2.300 1.00 0.00 O ATOM 209 OD2 ASP A 13 -7.425 4.995 -2.364 1.00 0.00 O ATOM 0 H ASP A 13 -5.332 3.512 -1.478 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.098 6.031 -1.446 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.562 4.857 -0.063 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.132 6.541 0.165 1.00 0.00 H new ATOM 215 N LEU A 14 -3.612 4.535 1.454 1.00 0.00 N ATOM 216 CA LEU A 14 -2.656 4.559 2.596 1.00 0.00 C ATOM 217 C LEU A 14 -1.143 4.849 2.275 1.00 0.00 C ATOM 218 O LEU A 14 -0.489 5.577 3.026 1.00 0.00 O ATOM 219 CB LEU A 14 -2.804 3.238 3.400 1.00 0.00 C ATOM 220 CG LEU A 14 -3.078 3.381 4.910 1.00 0.00 C ATOM 221 CD1 LEU A 14 -1.936 4.096 5.634 1.00 0.00 C ATOM 222 CD2 LEU A 14 -4.433 4.042 5.175 1.00 0.00 C ATOM 0 H LEU A 14 -4.137 3.664 1.378 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.944 5.435 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.615 2.659 2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.891 2.656 3.272 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.127 2.375 5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.171 4.175 6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.014 3.529 5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.808 5.094 5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.593 4.127 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.447 5.036 4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.226 3.435 4.737 1.00 0.00 H new ATOM 234 N ILE A 15 -0.621 4.312 1.163 1.00 0.00 N ATOM 235 CA ILE A 15 0.741 4.642 0.633 1.00 0.00 C ATOM 236 C ILE A 15 0.945 6.188 0.397 1.00 0.00 C ATOM 237 O ILE A 15 1.852 6.782 0.984 1.00 0.00 O ATOM 238 CB ILE A 15 1.064 3.791 -0.656 1.00 0.00 C ATOM 239 CG1 ILE A 15 0.875 2.258 -0.458 1.00 0.00 C ATOM 240 CG2 ILE A 15 2.502 4.047 -1.173 1.00 0.00 C ATOM 241 CD1 ILE A 15 0.791 1.471 -1.767 1.00 0.00 C ATOM 0 H ILE A 15 -1.122 3.631 0.592 1.00 0.00 H new ATOM 0 HA ILE A 15 1.462 4.365 1.402 1.00 0.00 H new ATOM 0 HB ILE A 15 0.336 4.129 -1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.705 1.873 0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.034 2.085 0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.683 3.441 -2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.616 5.102 -1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.220 3.778 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.660 0.412 -1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.056 1.828 -2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.710 1.612 -2.336 1.00 0.00 H new ATOM 253 N ARG A 16 0.081 6.808 -0.413 1.00 0.00 N ATOM 254 CA ARG A 16 0.078 8.279 -0.633 1.00 0.00 C ATOM 255 C ARG A 16 -0.351 9.161 0.601 1.00 0.00 C ATOM 256 O ARG A 16 0.199 10.249 0.760 1.00 0.00 O ATOM 257 CB ARG A 16 -0.783 8.580 -1.891 1.00 0.00 C ATOM 258 CG ARG A 16 -0.181 8.011 -3.199 1.00 0.00 C ATOM 259 CD ARG A 16 -1.022 8.223 -4.462 1.00 0.00 C ATOM 260 NE ARG A 16 -2.219 7.350 -4.502 1.00 0.00 N ATOM 261 CZ ARG A 16 -3.456 7.705 -4.199 1.00 0.00 C ATOM 262 NH1 ARG A 16 -3.813 8.893 -3.811 1.00 0.00 N ATOM 263 NH2 ARG A 16 -4.369 6.802 -4.286 1.00 0.00 N ATOM 0 H ARG A 16 -0.640 6.315 -0.940 1.00 0.00 H new ATOM 0 HA ARG A 16 1.116 8.576 -0.786 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.780 8.164 -1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.899 9.659 -1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.797 8.465 -3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.018 6.941 -3.068 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.335 9.266 -4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.407 8.030 -5.341 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.075 6.383 -4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.115 9.632 -3.722 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.791 9.087 -3.596 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.125 5.856 -4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.337 7.032 -4.062 1.00 0.00 H new ATOM 276 N ASP A 17 -1.253 8.693 1.479 1.00 0.00 N ATOM 277 CA ASP A 17 -1.551 9.333 2.799 1.00 0.00 C ATOM 278 C ASP A 17 -0.322 9.541 3.746 1.00 0.00 C ATOM 279 O ASP A 17 -0.116 10.664 4.208 1.00 0.00 O ATOM 280 CB ASP A 17 -2.667 8.459 3.421 1.00 0.00 C ATOM 281 CG ASP A 17 -3.242 8.880 4.760 1.00 0.00 C ATOM 282 OD1 ASP A 17 -3.743 9.978 4.972 1.00 0.00 O ATOM 283 OD2 ASP A 17 -3.156 7.888 5.694 1.00 0.00 O ATOM 0 H ASP A 17 -1.807 7.855 1.304 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.867 10.365 2.649 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.489 8.409 2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.277 7.447 3.529 1.00 0.00 H new ATOM 289 N HIS A 18 0.478 8.503 4.045 1.00 0.00 N ATOM 290 CA HIS A 18 1.731 8.677 4.839 1.00 0.00 C ATOM 291 C HIS A 18 2.900 9.435 4.114 1.00 0.00 C ATOM 292 O HIS A 18 3.556 10.253 4.763 1.00 0.00 O ATOM 293 CB HIS A 18 2.138 7.302 5.401 1.00 0.00 C ATOM 294 CG HIS A 18 3.230 7.362 6.492 1.00 0.00 C ATOM 295 ND1 HIS A 18 4.473 6.788 6.300 1.00 0.00 N ATOM 296 CD2 HIS A 18 3.230 8.112 7.694 1.00 0.00 C ATOM 297 CE1 HIS A 18 5.142 7.298 7.374 1.00 0.00 C ATOM 298 NE2 HIS A 18 4.472 8.053 8.295 1.00 0.00 N ATOM 0 H HIS A 18 0.293 7.542 3.758 1.00 0.00 H new ATOM 0 HA HIS A 18 1.510 9.363 5.657 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.255 6.815 5.813 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.493 6.678 4.581 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.798 6.161 5.564 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.380 8.652 8.084 1.00 0.00 H new ATOM 0 HE1 HIS A 18 6.198 7.106 7.496 1.00 0.00 H new ATOM 306 N ILE A 19 3.116 9.236 2.804 1.00 0.00 N ATOM 307 CA ILE A 19 4.033 10.107 1.991 1.00 0.00 C ATOM 308 C ILE A 19 3.607 11.631 1.980 1.00 0.00 C ATOM 309 O ILE A 19 4.480 12.485 2.140 1.00 0.00 O ATOM 310 CB ILE A 19 4.245 9.487 0.557 1.00 0.00 C ATOM 311 CG1 ILE A 19 4.982 8.110 0.642 1.00 0.00 C ATOM 312 CG2 ILE A 19 5.070 10.407 -0.380 1.00 0.00 C ATOM 313 CD1 ILE A 19 4.911 7.260 -0.628 1.00 0.00 C ATOM 0 H ILE A 19 2.677 8.486 2.270 1.00 0.00 H new ATOM 0 HA ILE A 19 5.006 10.119 2.482 1.00 0.00 H new ATOM 0 HB ILE A 19 3.244 9.365 0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.030 8.290 0.883 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.559 7.539 1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.184 9.928 -1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.553 11.359 -0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.054 10.582 0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.450 6.326 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.869 7.042 -0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.363 7.805 -1.457 1.00 0.00 H new ATOM 325 N SER A 20 2.316 11.971 1.848 1.00 0.00 N ATOM 326 CA SER A 20 1.823 13.359 2.066 1.00 0.00 C ATOM 327 C SER A 20 1.936 13.965 3.516 1.00 0.00 C ATOM 328 O SER A 20 2.038 15.187 3.631 1.00 0.00 O ATOM 329 CB SER A 20 0.344 13.406 1.604 1.00 0.00 C ATOM 330 OG SER A 20 -0.136 14.751 1.547 1.00 0.00 O ATOM 0 H SER A 20 1.584 11.308 1.591 1.00 0.00 H new ATOM 0 HA SER A 20 2.496 13.990 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.252 12.942 0.622 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.273 12.825 2.290 1.00 0.00 H new ATOM 0 HG SER A 20 -1.070 14.753 1.252 1.00 0.00 H new ATOM 336 N GLN A 21 1.865 13.153 4.578 1.00 0.00 N ATOM 337 CA GLN A 21 2.016 13.629 5.981 1.00 0.00 C ATOM 338 C GLN A 21 3.506 13.714 6.490 1.00 0.00 C ATOM 339 O GLN A 21 3.882 14.726 7.081 1.00 0.00 O ATOM 340 CB GLN A 21 1.199 12.702 6.926 1.00 0.00 C ATOM 341 CG GLN A 21 -0.334 12.809 6.779 1.00 0.00 C ATOM 342 CD GLN A 21 -1.097 11.768 7.583 1.00 0.00 C ATOM 343 OE1 GLN A 21 -1.689 12.036 8.621 1.00 0.00 O ATOM 344 NE2 GLN A 21 -1.135 10.543 7.120 1.00 0.00 N ATOM 0 H GLN A 21 1.702 12.149 4.502 1.00 0.00 H new ATOM 0 HA GLN A 21 1.638 14.651 5.995 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.495 11.669 6.743 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.467 12.932 7.957 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.652 13.803 7.093 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.598 12.708 5.726 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.646 10.309 6.256 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.654 9.823 7.623 1.00 0.00 H new ATOM 353 N THR A 22 4.300 12.651 6.320 1.00 0.00 N ATOM 354 CA THR A 22 5.715 12.585 6.798 1.00 0.00 C ATOM 355 C THR A 22 6.803 12.678 5.666 1.00 0.00 C ATOM 356 O THR A 22 7.905 13.153 5.947 1.00 0.00 O ATOM 357 CB THR A 22 5.878 11.270 7.636 1.00 0.00 C ATOM 358 OG1 THR A 22 4.898 11.190 8.672 1.00 0.00 O ATOM 359 CG2 THR A 22 7.211 11.135 8.361 1.00 0.00 C ATOM 0 H THR A 22 3.993 11.801 5.847 1.00 0.00 H new ATOM 0 HA THR A 22 5.897 13.471 7.406 1.00 0.00 H new ATOM 0 HB THR A 22 5.782 10.487 6.884 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.587 10.265 8.758 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.231 10.195 8.913 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.023 11.146 7.634 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.333 11.966 9.055 1.00 0.00 H new ATOM 367 N GLY A 23 6.533 12.195 4.445 1.00 0.00 N ATOM 368 CA GLY A 23 7.550 12.110 3.364 1.00 0.00 C ATOM 369 C GLY A 23 8.308 10.777 3.170 1.00 0.00 C ATOM 370 O GLY A 23 9.397 10.794 2.596 1.00 0.00 O ATOM 0 H GLY A 23 5.612 11.852 4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.055 12.350 2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.290 12.890 3.543 1.00 0.00 H new ATOM 374 N MET A 24 7.745 9.640 3.597 1.00 0.00 N ATOM 375 CA MET A 24 8.395 8.308 3.483 1.00 0.00 C ATOM 376 C MET A 24 7.361 7.139 3.276 1.00 0.00 C ATOM 377 O MET A 24 6.207 7.290 3.691 1.00 0.00 O ATOM 378 CB MET A 24 9.345 8.063 4.688 1.00 0.00 C ATOM 379 CG MET A 24 8.694 7.836 6.058 1.00 0.00 C ATOM 380 SD MET A 24 9.986 7.626 7.295 1.00 0.00 S ATOM 381 CE MET A 24 8.965 7.210 8.719 1.00 0.00 C ATOM 0 H MET A 24 6.824 9.607 4.034 1.00 0.00 H new ATOM 0 HA MET A 24 9.002 8.313 2.577 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.963 7.195 4.460 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.015 8.919 4.770 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.059 8.683 6.318 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.054 6.954 6.029 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.602 7.044 9.588 1.00 0.00 H new ATOM 0 HE2 MET A 24 8.277 8.030 8.925 1.00 0.00 H new ATOM 0 HE3 MET A 24 8.397 6.304 8.507 1.00 0.00 H new ATOM 391 N PRO A 25 7.708 5.959 2.690 1.00 0.00 N ATOM 392 CA PRO A 25 6.771 4.786 2.626 1.00 0.00 C ATOM 393 C PRO A 25 6.214 4.230 3.974 1.00 0.00 C ATOM 394 O PRO A 25 7.013 4.069 4.904 1.00 0.00 O ATOM 395 CB PRO A 25 7.654 3.715 1.919 1.00 0.00 C ATOM 396 CG PRO A 25 8.601 4.540 1.028 1.00 0.00 C ATOM 397 CD PRO A 25 8.956 5.738 1.926 1.00 0.00 C ATOM 0 HA PRO A 25 5.848 5.077 2.125 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.208 3.115 2.641 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.050 3.026 1.329 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.486 3.971 0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.115 4.856 0.105 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.798 5.516 2.582 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.232 6.615 1.340 1.00 0.00 H new ATOM 405 N PRO A 26 4.912 3.868 4.132 1.00 0.00 N ATOM 406 CA PRO A 26 4.402 3.297 5.421 1.00 0.00 C ATOM 407 C PRO A 26 4.692 1.787 5.622 1.00 0.00 C ATOM 408 O PRO A 26 4.620 0.969 4.700 1.00 0.00 O ATOM 409 CB PRO A 26 2.885 3.602 5.347 1.00 0.00 C ATOM 410 CG PRO A 26 2.565 3.637 3.841 1.00 0.00 C ATOM 411 CD PRO A 26 3.829 4.233 3.195 1.00 0.00 C ATOM 0 HA PRO A 26 4.903 3.736 6.284 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.302 2.836 5.858 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.649 4.553 5.824 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.355 2.639 3.456 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.687 4.249 3.635 1.00 0.00 H new ATOM 0 HD2 PRO A 26 4.003 3.819 2.202 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.747 5.314 3.080 1.00 0.00 H new ATOM 419 N THR A 27 4.979 1.433 6.874 1.00 0.00 N ATOM 420 CA THR A 27 5.213 0.026 7.291 1.00 0.00 C ATOM 421 C THR A 27 3.909 -0.851 7.378 1.00 0.00 C ATOM 422 O THR A 27 2.793 -0.349 7.521 1.00 0.00 O ATOM 423 CB THR A 27 5.970 -0.020 8.669 1.00 0.00 C ATOM 424 OG1 THR A 27 5.299 0.721 9.684 1.00 0.00 O ATOM 425 CG2 THR A 27 7.406 0.487 8.612 1.00 0.00 C ATOM 0 H THR A 27 5.059 2.104 7.638 1.00 0.00 H new ATOM 0 HA THR A 27 5.825 -0.411 6.502 1.00 0.00 H new ATOM 0 HB THR A 27 5.982 -1.083 8.911 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.388 1.680 9.502 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.855 0.421 9.603 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.979 -0.122 7.913 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.412 1.525 8.279 1.00 0.00 H new ATOM 433 N ARG A 28 4.104 -2.177 7.356 1.00 0.00 N ATOM 434 CA ARG A 28 3.075 -3.213 7.700 1.00 0.00 C ATOM 435 C ARG A 28 1.993 -2.873 8.786 1.00 0.00 C ATOM 436 O ARG A 28 0.796 -2.963 8.499 1.00 0.00 O ATOM 437 CB ARG A 28 3.947 -4.457 8.044 1.00 0.00 C ATOM 438 CG ARG A 28 3.206 -5.745 8.431 1.00 0.00 C ATOM 439 CD ARG A 28 4.199 -6.850 8.833 1.00 0.00 C ATOM 440 NE ARG A 28 3.441 -8.092 9.101 1.00 0.00 N ATOM 441 CZ ARG A 28 3.967 -9.280 9.336 1.00 0.00 C ATOM 442 NH1 ARG A 28 5.242 -9.536 9.329 1.00 0.00 N ATOM 443 NH2 ARG A 28 3.151 -10.246 9.580 1.00 0.00 N ATOM 0 H ARG A 28 5.000 -2.587 7.094 1.00 0.00 H new ATOM 0 HA ARG A 28 2.392 -3.346 6.861 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.579 -4.676 7.183 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.610 -4.188 8.866 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.526 -5.543 9.258 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.597 -6.085 7.593 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.925 -7.014 8.037 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.760 -6.551 9.718 1.00 0.00 H new ATOM 0 HE ARG A 28 2.423 -8.025 9.105 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.911 -8.791 9.132 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.573 -10.481 9.520 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.145 -10.075 9.586 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.510 -11.182 9.767 1.00 0.00 H new ATOM 456 N ALA A 29 2.413 -2.474 9.996 1.00 0.00 N ATOM 457 CA ALA A 29 1.487 -1.968 11.043 1.00 0.00 C ATOM 458 C ALA A 29 0.823 -0.575 10.776 1.00 0.00 C ATOM 459 O ALA A 29 -0.377 -0.436 11.012 1.00 0.00 O ATOM 460 CB ALA A 29 2.267 -1.988 12.366 1.00 0.00 C ATOM 0 H ALA A 29 3.392 -2.489 10.283 1.00 0.00 H new ATOM 0 HA ALA A 29 0.619 -2.627 11.060 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.628 -1.624 13.171 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.583 -3.008 12.587 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.144 -1.347 12.281 1.00 0.00 H new ATOM 466 N GLU A 30 1.563 0.424 10.262 1.00 0.00 N ATOM 467 CA GLU A 30 0.972 1.716 9.803 1.00 0.00 C ATOM 468 C GLU A 30 -0.161 1.617 8.716 1.00 0.00 C ATOM 469 O GLU A 30 -1.176 2.301 8.851 1.00 0.00 O ATOM 470 CB GLU A 30 2.087 2.643 9.256 1.00 0.00 C ATOM 471 CG GLU A 30 3.091 3.170 10.296 1.00 0.00 C ATOM 472 CD GLU A 30 4.130 4.062 9.639 1.00 0.00 C ATOM 473 OE1 GLU A 30 5.167 3.641 9.132 1.00 0.00 O ATOM 474 OE2 GLU A 30 3.749 5.368 9.642 1.00 0.00 O ATOM 0 H GLU A 30 2.575 0.371 10.150 1.00 0.00 H new ATOM 0 HA GLU A 30 0.493 2.116 10.696 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.639 2.101 8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.617 3.497 8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.562 3.728 11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.584 2.332 10.789 1.00 0.00 H new ATOM 482 N ILE A 31 0.002 0.774 7.682 1.00 0.00 N ATOM 483 CA ILE A 31 -1.078 0.497 6.687 1.00 0.00 C ATOM 484 C ILE A 31 -2.345 -0.162 7.355 1.00 0.00 C ATOM 485 O ILE A 31 -3.442 0.390 7.255 1.00 0.00 O ATOM 486 CB ILE A 31 -0.530 -0.306 5.448 1.00 0.00 C ATOM 487 CG1 ILE A 31 0.616 0.450 4.713 1.00 0.00 C ATOM 488 CG2 ILE A 31 -1.651 -0.600 4.416 1.00 0.00 C ATOM 489 CD1 ILE A 31 1.414 -0.407 3.729 1.00 0.00 C ATOM 0 H ILE A 31 0.868 0.266 7.503 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.422 1.455 6.296 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.142 -1.240 5.854 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.189 1.296 4.175 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.300 0.858 5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.235 -1.155 3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.435 -1.191 4.889 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.071 0.340 4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.190 0.201 3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.875 -1.239 4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.746 -0.794 2.959 1.00 0.00 H new ATOM 501 N ALA A 32 -2.171 -1.299 8.041 1.00 0.00 N ATOM 502 CA ALA A 32 -3.261 -1.988 8.769 1.00 0.00 C ATOM 503 C ALA A 32 -4.026 -1.202 9.878 1.00 0.00 C ATOM 504 O ALA A 32 -5.259 -1.196 9.860 1.00 0.00 O ATOM 505 CB ALA A 32 -2.602 -3.268 9.311 1.00 0.00 C ATOM 0 H ALA A 32 -1.271 -1.773 8.111 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.082 -2.155 8.072 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.337 -3.848 9.869 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.225 -3.864 8.479 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.775 -3.001 9.970 1.00 0.00 H new ATOM 511 N GLN A 33 -3.333 -0.555 10.820 1.00 0.00 N ATOM 512 CA GLN A 33 -3.985 0.206 11.922 1.00 0.00 C ATOM 513 C GLN A 33 -4.600 1.603 11.541 1.00 0.00 C ATOM 514 O GLN A 33 -5.549 2.020 12.207 1.00 0.00 O ATOM 515 CB GLN A 33 -2.987 0.312 13.102 1.00 0.00 C ATOM 516 CG GLN A 33 -2.896 -0.927 14.025 1.00 0.00 C ATOM 517 CD GLN A 33 -2.319 -2.212 13.455 1.00 0.00 C ATOM 518 OE1 GLN A 33 -1.113 -2.407 13.356 1.00 0.00 O ATOM 519 NE2 GLN A 33 -3.143 -3.162 13.091 1.00 0.00 N ATOM 0 H GLN A 33 -2.314 -0.536 10.852 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.870 -0.364 12.204 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.995 0.512 12.697 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.263 1.174 13.710 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.298 -0.651 14.893 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.901 -1.146 14.387 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.150 -3.020 13.166 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.778 -4.044 12.733 1.00 0.00 H new ATOM 528 N ARG A 34 -4.116 2.292 10.496 1.00 0.00 N ATOM 529 CA ARG A 34 -4.836 3.459 9.897 1.00 0.00 C ATOM 530 C ARG A 34 -6.152 3.086 9.119 1.00 0.00 C ATOM 531 O ARG A 34 -7.160 3.766 9.317 1.00 0.00 O ATOM 532 CB ARG A 34 -3.799 4.186 9.009 1.00 0.00 C ATOM 533 CG ARG A 34 -4.203 5.534 8.384 1.00 0.00 C ATOM 534 CD ARG A 34 -3.999 6.752 9.287 1.00 0.00 C ATOM 535 NE ARG A 34 -4.297 7.976 8.496 1.00 0.00 N ATOM 536 CZ ARG A 34 -4.001 9.213 8.862 1.00 0.00 C ATOM 537 NH1 ARG A 34 -3.348 9.527 9.941 1.00 0.00 N ATOM 538 NH2 ARG A 34 -4.370 10.174 8.088 1.00 0.00 N ATOM 0 H ARG A 34 -3.231 2.072 10.039 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.210 4.107 10.689 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.903 4.350 9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.522 3.512 8.199 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.630 5.679 7.468 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.254 5.484 8.098 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.653 6.694 10.157 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.975 6.781 9.660 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.767 7.852 7.599 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.026 8.794 10.573 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.158 10.506 10.155 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.873 9.969 7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.159 11.140 8.338 1.00 0.00 H new ATOM 551 N LEU A 35 -6.157 2.056 8.248 1.00 0.00 N ATOM 552 CA LEU A 35 -7.382 1.655 7.490 1.00 0.00 C ATOM 553 C LEU A 35 -8.438 0.775 8.235 1.00 0.00 C ATOM 554 O LEU A 35 -9.632 0.934 7.972 1.00 0.00 O ATOM 555 CB LEU A 35 -6.968 1.103 6.097 1.00 0.00 C ATOM 556 CG LEU A 35 -6.481 -0.355 5.993 1.00 0.00 C ATOM 557 CD1 LEU A 35 -7.637 -1.330 5.721 1.00 0.00 C ATOM 558 CD2 LEU A 35 -5.472 -0.496 4.845 1.00 0.00 C ATOM 0 H LEU A 35 -5.337 1.484 8.046 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.960 2.571 7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.823 1.214 5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.176 1.744 5.710 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.022 -0.601 6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.248 -2.346 5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.362 -1.271 6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.122 -1.066 4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.135 -1.531 4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.947 -0.211 3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.616 0.153 5.031 1.00 0.00 H new ATOM 570 N GLY A 36 -8.006 -0.178 9.075 1.00 0.00 N ATOM 571 CA GLY A 36 -8.904 -1.137 9.758 1.00 0.00 C ATOM 572 C GLY A 36 -8.689 -2.638 9.460 1.00 0.00 C ATOM 573 O GLY A 36 -9.656 -3.338 9.151 1.00 0.00 O ATOM 0 H GLY A 36 -7.021 -0.310 9.304 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.803 -0.988 10.833 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.931 -0.884 9.496 1.00 0.00 H new ATOM 577 N PHE A 37 -7.462 -3.142 9.639 1.00 0.00 N ATOM 578 CA PHE A 37 -7.179 -4.597 9.691 1.00 0.00 C ATOM 579 C PHE A 37 -6.669 -4.987 11.132 1.00 0.00 C ATOM 580 O PHE A 37 -5.713 -4.401 11.649 1.00 0.00 O ATOM 581 CB PHE A 37 -6.064 -5.020 8.696 1.00 0.00 C ATOM 582 CG PHE A 37 -6.340 -4.942 7.196 1.00 0.00 C ATOM 583 CD1 PHE A 37 -7.507 -5.473 6.619 1.00 0.00 C ATOM 584 CD2 PHE A 37 -5.353 -4.424 6.347 1.00 0.00 C ATOM 585 CE1 PHE A 37 -7.687 -5.454 5.234 1.00 0.00 C ATOM 586 CE2 PHE A 37 -5.541 -4.396 4.965 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.713 -4.895 4.413 1.00 0.00 C ATOM 0 H PHE A 37 -6.632 -2.560 9.753 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.109 -5.102 9.431 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.189 -4.404 8.902 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.791 -6.050 8.927 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -8.271 -5.899 7.252 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.435 -4.042 6.768 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.583 -5.873 4.800 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.774 -3.986 4.324 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.869 -4.849 3.345 1.00 0.00 H new ATOM 597 N ARG A 38 -7.256 -6.037 11.717 1.00 0.00 N ATOM 598 CA ARG A 38 -6.752 -6.621 12.994 1.00 0.00 C ATOM 599 C ARG A 38 -5.383 -7.399 12.887 1.00 0.00 C ATOM 600 O ARG A 38 -4.548 -7.250 13.781 1.00 0.00 O ATOM 601 CB ARG A 38 -7.837 -7.530 13.626 1.00 0.00 C ATOM 602 CG ARG A 38 -9.131 -6.839 14.098 1.00 0.00 C ATOM 603 CD ARG A 38 -8.944 -5.908 15.302 1.00 0.00 C ATOM 604 NE ARG A 38 -10.273 -5.372 15.676 1.00 0.00 N ATOM 605 CZ ARG A 38 -10.506 -4.502 16.643 1.00 0.00 C ATOM 606 NH1 ARG A 38 -9.589 -3.993 17.414 1.00 0.00 N ATOM 607 NH2 ARG A 38 -11.728 -4.137 16.828 1.00 0.00 N ATOM 0 H ARG A 38 -8.078 -6.508 11.339 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.540 -5.766 13.636 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.106 -8.295 12.898 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.395 -8.044 14.480 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.545 -6.264 13.270 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.865 -7.603 14.354 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.503 -6.450 16.138 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.261 -5.095 15.053 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.077 -5.702 15.142 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.613 -4.262 17.291 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.847 -3.325 18.141 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.469 -4.518 16.239 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.954 -3.467 17.563 1.00 0.00 H new ATOM 620 N SER A 39 -5.166 -8.203 11.832 1.00 0.00 N ATOM 621 CA SER A 39 -3.870 -8.889 11.594 1.00 0.00 C ATOM 622 C SER A 39 -3.022 -8.147 10.503 1.00 0.00 C ATOM 623 O SER A 39 -3.441 -8.160 9.338 1.00 0.00 O ATOM 624 CB SER A 39 -4.173 -10.355 11.200 1.00 0.00 C ATOM 625 OG SER A 39 -2.988 -11.146 11.263 1.00 0.00 O ATOM 0 H SER A 39 -5.872 -8.399 11.122 1.00 0.00 H new ATOM 0 HA SER A 39 -3.265 -8.875 12.500 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.929 -10.768 11.868 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.586 -10.389 10.192 1.00 0.00 H new ATOM 0 HG SER A 39 -2.451 -10.995 10.457 1.00 0.00 H new ATOM 631 N PRO A 40 -1.845 -7.517 10.791 1.00 0.00 N ATOM 632 CA PRO A 40 -1.054 -6.753 9.757 1.00 0.00 C ATOM 633 C PRO A 40 -0.580 -7.414 8.433 1.00 0.00 C ATOM 634 O PRO A 40 -0.318 -6.696 7.465 1.00 0.00 O ATOM 635 CB PRO A 40 0.127 -6.186 10.586 1.00 0.00 C ATOM 636 CG PRO A 40 -0.447 -6.029 12.007 1.00 0.00 C ATOM 637 CD PRO A 40 -1.361 -7.254 12.167 1.00 0.00 C ATOM 0 HA PRO A 40 -1.737 -6.041 9.294 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.982 -6.862 10.575 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.470 -5.231 10.188 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.342 -6.017 12.759 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.003 -5.098 12.114 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.817 -8.109 12.570 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.186 -7.051 12.849 1.00 0.00 H new ATOM 645 N ASN A 41 -0.517 -8.751 8.358 1.00 0.00 N ATOM 646 CA ASN A 41 -0.299 -9.484 7.078 1.00 0.00 C ATOM 647 C ASN A 41 -1.321 -9.259 5.903 1.00 0.00 C ATOM 648 O ASN A 41 -0.921 -9.365 4.742 1.00 0.00 O ATOM 649 CB ASN A 41 -0.078 -10.989 7.375 1.00 0.00 C ATOM 650 CG ASN A 41 -1.277 -11.767 7.889 1.00 0.00 C ATOM 651 OD1 ASN A 41 -1.761 -11.553 8.993 1.00 0.00 O ATOM 652 ND2 ASN A 41 -1.813 -12.679 7.122 1.00 0.00 N ATOM 0 H ASN A 41 -0.613 -9.361 9.169 1.00 0.00 H new ATOM 0 HA ASN A 41 0.597 -9.023 6.662 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.272 -11.468 6.461 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.724 -11.077 8.108 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.626 -13.204 7.445 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.419 -12.866 6.200 1.00 0.00 H new ATOM 659 N ALA A 42 -2.593 -8.936 6.192 1.00 0.00 N ATOM 660 CA ALA A 42 -3.560 -8.465 5.164 1.00 0.00 C ATOM 661 C ALA A 42 -3.156 -7.197 4.332 1.00 0.00 C ATOM 662 O ALA A 42 -3.385 -7.177 3.121 1.00 0.00 O ATOM 663 CB ALA A 42 -4.893 -8.263 5.899 1.00 0.00 C ATOM 0 H ALA A 42 -2.985 -8.990 7.132 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.608 -9.225 4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.648 -7.915 5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.214 -9.208 6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.765 -7.522 6.688 1.00 0.00 H new ATOM 669 N ALA A 43 -2.507 -6.194 4.949 1.00 0.00 N ATOM 670 CA ALA A 43 -1.859 -5.081 4.209 1.00 0.00 C ATOM 671 C ALA A 43 -0.757 -5.487 3.176 1.00 0.00 C ATOM 672 O ALA A 43 -0.832 -5.056 2.026 1.00 0.00 O ATOM 673 CB ALA A 43 -1.331 -4.106 5.268 1.00 0.00 C ATOM 0 H ALA A 43 -2.414 -6.126 5.962 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.609 -4.625 3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.843 -3.265 4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.161 -3.741 5.873 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.613 -4.618 5.909 1.00 0.00 H new ATOM 679 N GLU A 44 0.202 -6.343 3.562 1.00 0.00 N ATOM 680 CA GLU A 44 1.164 -6.972 2.610 1.00 0.00 C ATOM 681 C GLU A 44 0.531 -7.868 1.484 1.00 0.00 C ATOM 682 O GLU A 44 0.968 -7.773 0.339 1.00 0.00 O ATOM 683 CB GLU A 44 2.201 -7.795 3.423 1.00 0.00 C ATOM 684 CG GLU A 44 3.166 -6.931 4.262 1.00 0.00 C ATOM 685 CD GLU A 44 3.874 -7.671 5.380 1.00 0.00 C ATOM 686 OE1 GLU A 44 5.090 -7.670 5.539 1.00 0.00 O ATOM 687 OE2 GLU A 44 2.994 -8.255 6.240 1.00 0.00 O ATOM 0 H GLU A 44 0.342 -6.625 4.532 1.00 0.00 H new ATOM 0 HA GLU A 44 1.626 -6.147 2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.669 -8.477 4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.783 -8.409 2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.916 -6.500 3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.607 -6.100 4.692 1.00 0.00 H new ATOM 695 N GLU A 45 -0.487 -8.686 1.792 1.00 0.00 N ATOM 696 CA GLU A 45 -1.279 -9.436 0.772 1.00 0.00 C ATOM 697 C GLU A 45 -1.952 -8.570 -0.347 1.00 0.00 C ATOM 698 O GLU A 45 -1.768 -8.876 -1.527 1.00 0.00 O ATOM 699 CB GLU A 45 -2.283 -10.298 1.581 1.00 0.00 C ATOM 700 CG GLU A 45 -3.102 -11.305 0.751 1.00 0.00 C ATOM 701 CD GLU A 45 -4.055 -12.130 1.604 1.00 0.00 C ATOM 702 OE1 GLU A 45 -5.036 -11.669 2.179 1.00 0.00 O ATOM 703 OE2 GLU A 45 -3.699 -13.441 1.662 1.00 0.00 O ATOM 0 H GLU A 45 -0.794 -8.854 2.750 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.608 -10.049 0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.733 -10.845 2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.973 -9.632 2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.672 -10.767 -0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.422 -11.973 0.223 1.00 0.00 H new ATOM 711 N HIS A 46 -2.682 -7.498 0.000 1.00 0.00 N ATOM 712 CA HIS A 46 -3.193 -6.525 -1.009 1.00 0.00 C ATOM 713 C HIS A 46 -2.093 -5.640 -1.696 1.00 0.00 C ATOM 714 O HIS A 46 -2.182 -5.440 -2.906 1.00 0.00 O ATOM 715 CB HIS A 46 -4.294 -5.627 -0.404 1.00 0.00 C ATOM 716 CG HIS A 46 -5.588 -6.361 -0.043 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.445 -6.911 -0.986 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.025 -6.662 1.256 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.328 -7.536 -0.146 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.165 -7.433 1.209 1.00 0.00 N ATOM 0 H HIS A 46 -2.936 -7.274 0.962 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.609 -7.146 -1.803 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.901 -5.148 0.493 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.528 -4.833 -1.114 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.537 -6.336 2.163 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.150 -8.108 -0.551 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.728 -7.818 1.968 1.00 0.00 H new ATOM 728 N LEU A 47 -1.064 -5.165 -0.977 1.00 0.00 N ATOM 729 CA LEU A 47 0.160 -4.563 -1.597 1.00 0.00 C ATOM 730 C LEU A 47 0.868 -5.448 -2.689 1.00 0.00 C ATOM 731 O LEU A 47 1.180 -4.940 -3.765 1.00 0.00 O ATOM 732 CB LEU A 47 1.098 -4.189 -0.420 1.00 0.00 C ATOM 733 CG LEU A 47 2.292 -3.270 -0.743 1.00 0.00 C ATOM 734 CD1 LEU A 47 1.855 -1.818 -0.952 1.00 0.00 C ATOM 735 CD2 LEU A 47 3.307 -3.315 0.413 1.00 0.00 C ATOM 0 H LEU A 47 -1.042 -5.180 0.043 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.128 -3.687 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.498 -3.706 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.487 -5.112 0.010 1.00 0.00 H new ATOM 0 HG LEU A 47 2.742 -3.632 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.727 -1.204 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.150 -1.766 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.376 -1.448 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.150 -2.664 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.828 -2.976 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.663 -4.337 0.545 1.00 0.00 H new ATOM 747 N LYS A 48 1.049 -6.755 -2.447 1.00 0.00 N ATOM 748 CA LYS A 48 1.430 -7.742 -3.498 1.00 0.00 C ATOM 749 C LYS A 48 0.457 -7.859 -4.731 1.00 0.00 C ATOM 750 O LYS A 48 0.945 -7.954 -5.858 1.00 0.00 O ATOM 751 CB LYS A 48 1.610 -9.129 -2.822 1.00 0.00 C ATOM 752 CG LYS A 48 2.880 -9.252 -1.960 1.00 0.00 C ATOM 753 CD LYS A 48 2.867 -10.423 -0.968 1.00 0.00 C ATOM 754 CE LYS A 48 3.017 -11.832 -1.548 1.00 0.00 C ATOM 755 NZ LYS A 48 1.748 -12.364 -2.082 1.00 0.00 N ATOM 0 H LYS A 48 0.938 -7.169 -1.521 1.00 0.00 H new ATOM 0 HA LYS A 48 2.356 -7.369 -3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.740 -9.332 -2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.634 -9.897 -3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.742 -9.360 -2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.018 -8.324 -1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.671 -10.266 -0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.930 -10.384 -0.412 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.763 -11.816 -2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.390 -12.502 -0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.793 -13.402 -2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.962 -12.071 -1.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.593 -11.994 -3.041 1.00 0.00 H new ATOM 768 N ALA A 49 -0.873 -7.814 -4.539 1.00 0.00 N ATOM 769 CA ALA A 49 -1.840 -7.634 -5.656 1.00 0.00 C ATOM 770 C ALA A 49 -1.735 -6.292 -6.467 1.00 0.00 C ATOM 771 O ALA A 49 -1.768 -6.343 -7.698 1.00 0.00 O ATOM 772 CB ALA A 49 -3.245 -7.856 -5.080 1.00 0.00 C ATOM 0 H ALA A 49 -1.311 -7.899 -3.622 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.591 -8.371 -6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.986 -7.733 -5.870 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.315 -8.864 -4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.433 -7.130 -4.289 1.00 0.00 H new ATOM 778 N LEU A 50 -1.552 -5.132 -5.810 1.00 0.00 N ATOM 779 CA LEU A 50 -1.109 -3.879 -6.486 1.00 0.00 C ATOM 780 C LEU A 50 0.262 -3.988 -7.284 1.00 0.00 C ATOM 781 O LEU A 50 0.332 -3.511 -8.416 1.00 0.00 O ATOM 782 CB LEU A 50 -0.997 -2.725 -5.453 1.00 0.00 C ATOM 783 CG LEU A 50 -2.234 -1.939 -4.993 1.00 0.00 C ATOM 784 CD1 LEU A 50 -2.926 -1.223 -6.148 1.00 0.00 C ATOM 785 CD2 LEU A 50 -3.243 -2.726 -4.170 1.00 0.00 C ATOM 0 H LEU A 50 -1.703 -5.027 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.879 -3.679 -7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.537 -3.144 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.295 -1.999 -5.863 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.821 -1.197 -4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.794 -0.682 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.232 -0.520 -6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.247 -1.955 -6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.076 -2.077 -3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.614 -3.566 -4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.763 -3.099 -3.265 1.00 0.00 H new ATOM 797 N ALA A 51 1.309 -4.603 -6.716 1.00 0.00 N ATOM 798 CA ALA A 51 2.585 -4.860 -7.436 1.00 0.00 C ATOM 799 C ALA A 51 2.519 -5.846 -8.647 1.00 0.00 C ATOM 800 O ALA A 51 3.071 -5.534 -9.704 1.00 0.00 O ATOM 801 CB ALA A 51 3.601 -5.301 -6.375 1.00 0.00 C ATOM 0 H ALA A 51 1.306 -4.938 -5.753 1.00 0.00 H new ATOM 0 HA ALA A 51 2.880 -3.936 -7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.560 -5.504 -6.852 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.723 -4.509 -5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.243 -6.205 -5.882 1.00 0.00 H new ATOM 807 N ARG A 52 1.807 -6.979 -8.526 1.00 0.00 N ATOM 808 CA ARG A 52 1.413 -7.822 -9.696 1.00 0.00 C ATOM 809 C ARG A 52 0.598 -7.103 -10.832 1.00 0.00 C ATOM 810 O ARG A 52 0.864 -7.352 -12.009 1.00 0.00 O ATOM 811 CB ARG A 52 0.689 -9.059 -9.106 1.00 0.00 C ATOM 812 CG ARG A 52 0.192 -10.121 -10.103 1.00 0.00 C ATOM 813 CD ARG A 52 1.293 -10.790 -10.932 1.00 0.00 C ATOM 814 NE ARG A 52 0.691 -11.692 -11.942 1.00 0.00 N ATOM 815 CZ ARG A 52 0.292 -11.337 -13.156 1.00 0.00 C ATOM 816 NH1 ARG A 52 0.341 -10.124 -13.629 1.00 0.00 N ATOM 817 NH2 ARG A 52 -0.181 -12.264 -13.916 1.00 0.00 N ATOM 0 H ARG A 52 1.485 -7.344 -7.630 1.00 0.00 H new ATOM 0 HA ARG A 52 2.313 -8.100 -10.245 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.367 -9.545 -8.404 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.168 -8.707 -8.531 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.347 -10.892 -9.552 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.522 -9.655 -10.782 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.899 -10.031 -11.426 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.959 -11.355 -10.279 1.00 0.00 H new ATOM 0 HE ARG A 52 0.573 -12.671 -11.681 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.707 -9.366 -13.052 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.014 -9.932 -14.576 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.236 -13.224 -13.576 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.500 -12.038 -14.858 1.00 0.00 H new ATOM 830 N LYS A 53 -0.341 -6.213 -10.489 1.00 0.00 N ATOM 831 CA LYS A 53 -0.999 -5.302 -11.471 1.00 0.00 C ATOM 832 C LYS A 53 -0.162 -4.048 -11.970 1.00 0.00 C ATOM 833 O LYS A 53 -0.700 -3.230 -12.718 1.00 0.00 O ATOM 834 CB LYS A 53 -2.346 -4.850 -10.821 1.00 0.00 C ATOM 835 CG LYS A 53 -3.410 -5.967 -10.774 1.00 0.00 C ATOM 836 CD LYS A 53 -4.643 -5.655 -9.914 1.00 0.00 C ATOM 837 CE LYS A 53 -5.541 -4.543 -10.458 1.00 0.00 C ATOM 838 NZ LYS A 53 -6.822 -4.541 -9.721 1.00 0.00 N ATOM 0 H LYS A 53 -0.674 -6.094 -9.532 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.127 -5.870 -12.392 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.152 -4.500 -9.807 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.744 -4.003 -11.380 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.739 -6.177 -11.792 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.943 -6.877 -10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.236 -6.564 -9.811 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.310 -5.377 -8.914 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.047 -3.577 -10.353 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.721 -4.694 -11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.434 -3.785 -10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.294 -5.459 -9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.641 -4.377 -8.710 1.00 0.00 H new ATOM 851 N GLY A 54 1.125 -3.915 -11.609 1.00 0.00 N ATOM 852 CA GLY A 54 1.997 -2.806 -12.081 1.00 0.00 C ATOM 853 C GLY A 54 1.854 -1.404 -11.449 1.00 0.00 C ATOM 854 O GLY A 54 2.173 -0.417 -12.114 1.00 0.00 O ATOM 0 H GLY A 54 1.597 -4.567 -10.983 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.031 -3.122 -11.943 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.837 -2.699 -13.154 1.00 0.00 H new ATOM 858 N VAL A 55 1.419 -1.313 -10.191 1.00 0.00 N ATOM 859 CA VAL A 55 1.055 -0.013 -9.549 1.00 0.00 C ATOM 860 C VAL A 55 2.146 0.504 -8.528 1.00 0.00 C ATOM 861 O VAL A 55 2.379 1.714 -8.476 1.00 0.00 O ATOM 862 CB VAL A 55 -0.370 -0.042 -8.888 1.00 0.00 C ATOM 863 CG1 VAL A 55 -0.960 1.382 -8.787 1.00 0.00 C ATOM 864 CG2 VAL A 55 -1.453 -0.867 -9.620 1.00 0.00 C ATOM 0 H VAL A 55 1.304 -2.121 -9.579 1.00 0.00 H new ATOM 0 HA VAL A 55 1.021 0.707 -10.367 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.166 -0.514 -7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.947 1.335 -8.326 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.305 2.005 -8.179 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.046 1.812 -9.785 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.390 -0.809 -9.067 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.599 -0.467 -10.624 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.135 -1.907 -9.687 1.00 0.00 H new ATOM 874 N ILE A 56 2.796 -0.377 -7.744 1.00 0.00 N ATOM 875 CA ILE A 56 3.994 -0.020 -6.925 1.00 0.00 C ATOM 876 C ILE A 56 5.124 -1.113 -7.051 1.00 0.00 C ATOM 877 O ILE A 56 4.834 -2.305 -7.186 1.00 0.00 O ATOM 878 CB ILE A 56 3.707 0.302 -5.414 1.00 0.00 C ATOM 879 CG1 ILE A 56 3.478 -0.872 -4.437 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.649 1.399 -5.211 1.00 0.00 C ATOM 881 CD1 ILE A 56 2.269 -1.755 -4.675 1.00 0.00 C ATOM 0 H ILE A 56 2.516 -1.354 -7.653 1.00 0.00 H new ATOM 0 HA ILE A 56 4.340 0.919 -7.356 1.00 0.00 H new ATOM 0 HB ILE A 56 4.686 0.679 -5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.366 -1.504 -4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.402 -0.462 -3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.501 1.569 -4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.987 2.322 -5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.708 1.085 -5.662 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.234 -2.536 -3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.362 -1.153 -4.619 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.341 -2.212 -5.662 1.00 0.00 H new ATOM 893 N GLU A 57 6.399 -0.717 -6.914 1.00 0.00 N ATOM 894 CA GLU A 57 7.505 -1.690 -6.659 1.00 0.00 C ATOM 895 C GLU A 57 7.794 -1.789 -5.121 1.00 0.00 C ATOM 896 O GLU A 57 8.030 -0.773 -4.459 1.00 0.00 O ATOM 897 CB GLU A 57 8.750 -1.238 -7.457 1.00 0.00 C ATOM 898 CG GLU A 57 9.907 -2.263 -7.448 1.00 0.00 C ATOM 899 CD GLU A 57 11.201 -1.711 -8.022 1.00 0.00 C ATOM 900 OE1 GLU A 57 12.141 -1.322 -7.338 1.00 0.00 O ATOM 901 OE2 GLU A 57 11.208 -1.709 -9.380 1.00 0.00 O ATOM 0 H GLU A 57 6.701 0.256 -6.972 1.00 0.00 H new ATOM 0 HA GLU A 57 7.222 -2.688 -6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.457 -1.045 -8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.110 -0.295 -7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.083 -2.593 -6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.609 -3.142 -8.020 1.00 0.00 H new ATOM 909 N ILE A 58 7.786 -3.014 -4.584 1.00 0.00 N ATOM 910 CA ILE A 58 7.993 -3.269 -3.130 1.00 0.00 C ATOM 911 C ILE A 58 9.468 -3.783 -2.912 1.00 0.00 C ATOM 912 O ILE A 58 9.778 -4.950 -3.173 1.00 0.00 O ATOM 913 CB ILE A 58 6.970 -4.330 -2.548 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.500 -4.169 -3.013 1.00 0.00 C ATOM 915 CG2 ILE A 58 7.004 -4.282 -0.995 1.00 0.00 C ATOM 916 CD1 ILE A 58 4.649 -5.419 -2.763 1.00 0.00 C ATOM 0 H ILE A 58 7.638 -3.862 -5.131 1.00 0.00 H new ATOM 0 HA ILE A 58 7.822 -2.334 -2.597 1.00 0.00 H new ATOM 0 HB ILE A 58 7.305 -5.289 -2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.052 -3.322 -2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.486 -3.934 -4.077 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.301 -5.011 -0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.009 -4.517 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.726 -3.284 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.631 -5.242 -3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.075 -6.264 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.635 -5.642 -1.696 1.00 0.00 H new ATOM 928 N VAL A 59 10.356 -2.924 -2.409 1.00 0.00 N ATOM 929 CA VAL A 59 11.780 -3.302 -2.127 1.00 0.00 C ATOM 930 C VAL A 59 11.884 -3.801 -0.640 1.00 0.00 C ATOM 931 O VAL A 59 12.259 -3.060 0.274 1.00 0.00 O ATOM 932 CB VAL A 59 12.728 -2.105 -2.472 1.00 0.00 C ATOM 933 CG1 VAL A 59 14.220 -2.435 -2.232 1.00 0.00 C ATOM 934 CG2 VAL A 59 12.627 -1.655 -3.951 1.00 0.00 C ATOM 0 H VAL A 59 10.133 -1.955 -2.181 1.00 0.00 H new ATOM 0 HA VAL A 59 12.107 -4.126 -2.761 1.00 0.00 H new ATOM 0 HB VAL A 59 12.389 -1.313 -1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.830 -1.569 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.372 -2.689 -1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.511 -3.280 -2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.309 -0.822 -4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.895 -2.486 -4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 59 11.606 -1.339 -4.166 1.00 0.00 H new ATOM 944 N SER A 60 11.523 -5.075 -0.415 1.00 0.00 N ATOM 945 CA SER A 60 11.281 -5.600 0.955 1.00 0.00 C ATOM 946 C SER A 60 12.534 -6.171 1.697 1.00 0.00 C ATOM 947 O SER A 60 12.631 -7.372 1.965 1.00 0.00 O ATOM 948 CB SER A 60 10.125 -6.627 0.833 1.00 0.00 C ATOM 949 OG SER A 60 9.785 -7.175 2.109 1.00 0.00 O ATOM 0 H SER A 60 11.391 -5.764 -1.155 1.00 0.00 H new ATOM 0 HA SER A 60 11.011 -4.767 1.604 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.251 -6.144 0.397 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.417 -7.429 0.156 1.00 0.00 H new ATOM 0 HG SER A 60 9.053 -7.818 2.004 1.00 0.00 H new ATOM 955 N GLY A 61 13.431 -5.272 2.127 1.00 0.00 N ATOM 956 CA GLY A 61 14.401 -5.573 3.219 1.00 0.00 C ATOM 957 C GLY A 61 13.792 -5.424 4.630 1.00 0.00 C ATOM 958 O GLY A 61 13.554 -6.415 5.319 1.00 0.00 O ATOM 0 H GLY A 61 13.514 -4.330 1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.773 -6.590 3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.259 -4.907 3.128 1.00 0.00 H new ATOM 962 N ALA A 62 13.469 -4.182 5.015 1.00 0.00 N ATOM 963 CA ALA A 62 12.350 -3.937 5.966 1.00 0.00 C ATOM 964 C ALA A 62 10.943 -4.083 5.279 1.00 0.00 C ATOM 965 O ALA A 62 10.835 -4.019 4.050 1.00 0.00 O ATOM 966 CB ALA A 62 12.570 -2.516 6.509 1.00 0.00 C ATOM 0 H ALA A 62 13.949 -3.340 4.697 1.00 0.00 H new ATOM 0 HA ALA A 62 12.350 -4.677 6.767 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.779 -2.271 7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 62 13.536 -2.464 7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.552 -1.804 5.684 1.00 0.00 H new ATOM 972 N SER A 63 9.866 -4.263 6.058 1.00 0.00 N ATOM 973 CA SER A 63 8.499 -4.485 5.492 1.00 0.00 C ATOM 974 C SER A 63 7.785 -3.200 4.925 1.00 0.00 C ATOM 975 O SER A 63 6.805 -2.704 5.491 1.00 0.00 O ATOM 976 CB SER A 63 7.661 -5.191 6.593 1.00 0.00 C ATOM 977 OG SER A 63 7.381 -4.328 7.698 1.00 0.00 O ATOM 0 H SER A 63 9.900 -4.262 7.077 1.00 0.00 H new ATOM 0 HA SER A 63 8.596 -5.108 4.603 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.723 -5.543 6.163 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.199 -6.070 6.948 1.00 0.00 H new ATOM 0 HG SER A 63 7.038 -3.472 7.366 1.00 0.00 H new ATOM 983 N ARG A 64 8.332 -2.693 3.814 1.00 0.00 N ATOM 984 CA ARG A 64 7.887 -1.465 3.112 1.00 0.00 C ATOM 985 C ARG A 64 8.709 -1.308 1.775 1.00 0.00 C ATOM 986 O ARG A 64 8.478 -2.070 0.836 1.00 0.00 O ATOM 987 CB ARG A 64 7.769 -0.195 3.992 1.00 0.00 C ATOM 988 CG ARG A 64 8.944 0.142 4.926 1.00 0.00 C ATOM 989 CD ARG A 64 8.836 1.577 5.440 1.00 0.00 C ATOM 990 NE ARG A 64 9.932 1.851 6.393 1.00 0.00 N ATOM 991 CZ ARG A 64 10.146 3.020 6.976 1.00 0.00 C ATOM 992 NH1 ARG A 64 9.423 4.086 6.785 1.00 0.00 N ATOM 993 NH2 ARG A 64 11.144 3.103 7.787 1.00 0.00 N ATOM 0 H ARG A 64 9.127 -3.137 3.355 1.00 0.00 H new ATOM 0 HA ARG A 64 6.839 -1.593 2.840 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.612 0.657 3.331 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.872 -0.294 4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.955 -0.550 5.768 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.886 0.012 4.394 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.884 2.277 4.605 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.872 1.727 5.927 1.00 0.00 H new ATOM 0 HE ARG A 64 10.568 1.086 6.617 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.627 4.055 6.148 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.652 4.952 7.273 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.732 2.287 7.957 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.346 3.985 8.258 1.00 0.00 H new ATOM 1006 N GLY A 65 9.607 -0.315 1.671 1.00 0.00 N ATOM 1007 CA GLY A 65 10.369 -0.027 0.425 1.00 0.00 C ATOM 1008 C GLY A 65 9.584 0.378 -0.842 1.00 0.00 C ATOM 1009 O GLY A 65 9.865 -0.140 -1.920 1.00 0.00 O ATOM 0 H GLY A 65 9.832 0.315 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.076 0.772 0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.955 -0.913 0.183 1.00 0.00 H new ATOM 1013 N ILE A 66 8.609 1.283 -0.720 1.00 0.00 N ATOM 1014 CA ILE A 66 7.548 1.437 -1.757 1.00 0.00 C ATOM 1015 C ILE A 66 7.834 2.693 -2.647 1.00 0.00 C ATOM 1016 O ILE A 66 7.704 3.827 -2.176 1.00 0.00 O ATOM 1017 CB ILE A 66 6.119 1.516 -1.077 1.00 0.00 C ATOM 1018 CG1 ILE A 66 5.782 0.284 -0.185 1.00 0.00 C ATOM 1019 CG2 ILE A 66 5.019 1.623 -2.160 1.00 0.00 C ATOM 1020 CD1 ILE A 66 4.703 0.559 0.869 1.00 0.00 C ATOM 0 H ILE A 66 8.520 1.920 0.072 1.00 0.00 H new ATOM 0 HA ILE A 66 7.557 0.562 -2.407 1.00 0.00 H new ATOM 0 HB ILE A 66 6.148 2.400 -0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.452 -0.536 -0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.691 -0.049 0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.041 1.677 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.181 2.521 -2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.059 0.747 -2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.523 -0.345 1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.037 1.356 1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.780 0.862 0.374 1.00 0.00 H new ATOM 1032 N ARG A 67 8.132 2.490 -3.940 1.00 0.00 N ATOM 1033 CA ARG A 67 8.049 3.583 -4.950 1.00 0.00 C ATOM 1034 C ARG A 67 6.700 3.544 -5.745 1.00 0.00 C ATOM 1035 O ARG A 67 6.235 2.482 -6.175 1.00 0.00 O ATOM 1036 CB ARG A 67 9.303 3.645 -5.852 1.00 0.00 C ATOM 1037 CG ARG A 67 9.540 2.498 -6.843 1.00 0.00 C ATOM 1038 CD ARG A 67 10.630 2.851 -7.868 1.00 0.00 C ATOM 1039 NE ARG A 67 10.649 1.814 -8.926 1.00 0.00 N ATOM 1040 CZ ARG A 67 11.290 1.907 -10.079 1.00 0.00 C ATOM 1041 NH1 ARG A 67 12.041 2.911 -10.426 1.00 0.00 N ATOM 1042 NH2 ARG A 67 11.150 0.938 -10.918 1.00 0.00 N ATOM 0 H ARG A 67 8.431 1.591 -4.319 1.00 0.00 H new ATOM 0 HA ARG A 67 8.042 4.528 -4.406 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.258 4.573 -6.422 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.177 3.711 -5.204 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.830 1.600 -6.298 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.610 2.269 -7.364 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.434 3.831 -8.304 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.603 2.908 -7.379 1.00 0.00 H new ATOM 0 HE ARG A 67 10.124 0.957 -8.751 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.166 3.698 -9.789 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.504 2.911 -11.335 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.562 0.139 -10.681 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.627 0.970 -11.819 1.00 0.00 H new ATOM 1055 N LEU A 68 6.083 4.717 -5.929 1.00 0.00 N ATOM 1056 CA LEU A 68 4.757 4.848 -6.600 1.00 0.00 C ATOM 1057 C LEU A 68 4.915 4.886 -8.156 1.00 0.00 C ATOM 1058 O LEU A 68 5.426 5.863 -8.710 1.00 0.00 O ATOM 1059 CB LEU A 68 4.112 6.136 -6.018 1.00 0.00 C ATOM 1060 CG LEU A 68 2.579 6.295 -6.041 1.00 0.00 C ATOM 1061 CD1 LEU A 68 1.942 6.184 -7.421 1.00 0.00 C ATOM 1062 CD2 LEU A 68 1.880 5.349 -5.059 1.00 0.00 C ATOM 0 H LEU A 68 6.476 5.607 -5.623 1.00 0.00 H new ATOM 0 HA LEU A 68 4.113 3.990 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.434 6.222 -4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.536 6.985 -6.554 1.00 0.00 H new ATOM 0 HG LEU A 68 2.423 7.324 -5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.863 6.309 -7.335 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.346 6.959 -8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.161 5.204 -7.845 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.802 5.500 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.115 4.317 -5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.225 5.556 -4.046 1.00 0.00 H new ATOM 1074 N LEU A 69 4.486 3.825 -8.849 1.00 0.00 N ATOM 1075 CA LEU A 69 4.607 3.723 -10.331 1.00 0.00 C ATOM 1076 C LEU A 69 3.431 4.392 -11.132 1.00 0.00 C ATOM 1077 O LEU A 69 3.670 5.197 -12.033 1.00 0.00 O ATOM 1078 CB LEU A 69 4.789 2.244 -10.769 1.00 0.00 C ATOM 1079 CG LEU A 69 6.001 1.477 -10.199 1.00 0.00 C ATOM 1080 CD1 LEU A 69 5.880 -0.002 -10.602 1.00 0.00 C ATOM 1081 CD2 LEU A 69 7.338 2.024 -10.698 1.00 0.00 C ATOM 0 H LEU A 69 4.047 3.013 -8.415 1.00 0.00 H new ATOM 0 HA LEU A 69 5.498 4.297 -10.585 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.886 1.698 -10.495 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.857 2.221 -11.857 1.00 0.00 H new ATOM 0 HG LEU A 69 5.989 1.598 -9.116 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.730 -0.558 -10.206 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.956 -0.415 -10.197 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.868 -0.083 -11.689 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.153 1.445 -10.264 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.379 1.949 -11.785 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.437 3.068 -10.402 1.00 0.00 H new