USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 615 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 55 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 57 MET CE :methyl -145:sc= -2.18 (180deg=-5.17!) USER MOD Set 2.1: A 29 MET CE :methyl -159:sc= 0 (180deg=0) USER MOD Set 2.2: A 30 TYR OH : rot 180:sc=-0.000782 USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 0.376 USER MOD Set 3.2: A 19 GLN : amide:sc= 0.402 K(o=0.78,f=0) USER MOD Set 4.1: A 7 GLN : amide:sc= -0.241 X(o=1.6,f=1.6) USER MOD Set 4.2: A 8 TYR OH : rot 178:sc= 1.07 USER MOD Set 4.3: A 82 HIS : no HD1:sc= 0.782 K(o=1.6,f=-2.2) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 69:sc= 0.188 USER MOD Single : A 21 HIS : no HE2:sc= 0.853 K(o=0.85,f=-4.7!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.382 K(o=-0.38,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.43) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 44 ASN : amide:sc= 1.34 K(o=1.3,f=-0.12) USER MOD Single : A 52 SER OG : rot -1:sc= 0.993 USER MOD Single : A 53 HIS : no HE2:sc= -0.0664 K(o=-0.066,f=-3.6!) USER MOD Single : A 56 TYR OH : rot -55:sc= 0.93 USER MOD Single : A 60 ASN : amide:sc= 0.00437 K(o=0.0044,f=-2.6!) USER MOD Single : A 61 TYR OH : rot 130:sc= 0.32 USER MOD Single : A 65 THR OG1 : rot 177:sc= 0.903 USER MOD Single : A 67 THR OG1 : rot -32:sc= 0.151 USER MOD Single : A 70 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.13) USER MOD Single : A 73 LYS NZ :NH3+ 149:sc= 1.2 (180deg=0.863) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N ILE A 5 -4.940 -13.359 -7.097 1.00 0.00 N ATOM 36 CA ILE A 5 -4.871 -12.336 -6.061 1.00 0.00 C ATOM 37 C ILE A 5 -6.248 -11.784 -5.675 1.00 0.00 C ATOM 38 O ILE A 5 -6.368 -11.060 -4.688 1.00 0.00 O ATOM 39 CB ILE A 5 -3.931 -11.208 -6.539 1.00 0.00 C ATOM 40 CG1 ILE A 5 -4.470 -10.471 -7.790 1.00 0.00 C ATOM 41 CG2 ILE A 5 -2.531 -11.796 -6.796 1.00 0.00 C ATOM 42 CD1 ILE A 5 -3.616 -9.266 -8.197 1.00 0.00 C ATOM 0 HA ILE A 5 -4.474 -12.794 -5.155 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.875 -10.455 -5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.518 -11.172 -8.624 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.489 -10.137 -7.595 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.861 -11.006 -7.134 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.144 -12.230 -5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.596 -12.569 -7.562 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.049 -8.795 -9.080 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.588 -8.547 -7.379 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.603 -9.598 -8.423 1.00 0.00 H new ATOM 54 N ASP A 6 -7.276 -12.111 -6.456 1.00 0.00 N ATOM 55 CA ASP A 6 -8.640 -11.617 -6.325 1.00 0.00 C ATOM 56 C ASP A 6 -9.233 -11.911 -4.957 1.00 0.00 C ATOM 57 O ASP A 6 -9.943 -11.069 -4.417 1.00 0.00 O ATOM 58 CB ASP A 6 -9.478 -12.283 -7.407 1.00 0.00 C ATOM 59 CG ASP A 6 -10.917 -11.779 -7.481 1.00 0.00 C ATOM 60 OD1 ASP A 6 -11.108 -10.599 -7.868 1.00 0.00 O ATOM 61 OD2 ASP A 6 -11.857 -12.595 -7.360 1.00 0.00 O ATOM 0 H ASP A 6 -7.172 -12.760 -7.236 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.635 -10.533 -6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.998 -12.123 -8.373 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.490 -13.359 -7.231 1.00 0.00 H new ATOM 66 N GLN A 7 -8.873 -13.054 -4.371 1.00 0.00 N ATOM 67 CA GLN A 7 -9.293 -13.438 -3.032 1.00 0.00 C ATOM 68 C GLN A 7 -8.867 -12.421 -1.967 1.00 0.00 C ATOM 69 O GLN A 7 -9.532 -12.299 -0.941 1.00 0.00 O ATOM 70 CB GLN A 7 -8.724 -14.834 -2.737 1.00 0.00 C ATOM 71 CG GLN A 7 -7.200 -14.805 -2.574 1.00 0.00 C ATOM 72 CD GLN A 7 -6.602 -16.197 -2.552 1.00 0.00 C ATOM 73 OE1 GLN A 7 -6.702 -16.905 -1.556 1.00 0.00 O ATOM 74 NE2 GLN A 7 -5.972 -16.604 -3.638 1.00 0.00 N ATOM 0 H GLN A 7 -8.274 -13.745 -4.823 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.382 -13.460 -2.993 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.179 -15.227 -1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.990 -15.513 -3.547 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.759 -14.235 -3.392 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.945 -14.287 -1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.907 -15.990 -4.450 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.550 -17.532 -3.665 1.00 0.00 H new ATOM 83 N TYR A 8 -7.761 -11.709 -2.189 1.00 0.00 N ATOM 84 CA TYR A 8 -7.231 -10.731 -1.251 1.00 0.00 C ATOM 85 C TYR A 8 -7.656 -9.320 -1.641 1.00 0.00 C ATOM 86 O TYR A 8 -7.263 -8.385 -0.950 1.00 0.00 O ATOM 87 CB TYR A 8 -5.697 -10.819 -1.195 1.00 0.00 C ATOM 88 CG TYR A 8 -5.148 -12.218 -1.033 1.00 0.00 C ATOM 89 CD1 TYR A 8 -5.431 -12.958 0.126 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.389 -12.797 -2.065 1.00 0.00 C ATOM 91 CE1 TYR A 8 -4.955 -14.273 0.258 1.00 0.00 C ATOM 92 CE2 TYR A 8 -3.890 -14.101 -1.930 1.00 0.00 C ATOM 93 CZ TYR A 8 -4.166 -14.849 -0.761 1.00 0.00 C ATOM 94 OH TYR A 8 -3.712 -16.126 -0.648 1.00 0.00 O ATOM 0 H TYR A 8 -7.204 -11.800 -3.039 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.636 -10.955 -0.264 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.289 -10.387 -2.109 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.342 -10.206 -0.366 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.016 -12.515 0.918 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.189 -12.235 -2.966 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.194 -14.845 1.142 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.294 -14.535 -2.720 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.213 -16.369 -1.456 1.00 0.00 H new ATOM 104 N ALA A 9 -8.376 -9.137 -2.757 1.00 0.00 N ATOM 105 CA ALA A 9 -8.762 -7.834 -3.270 1.00 0.00 C ATOM 106 C ALA A 9 -9.857 -7.254 -2.381 1.00 0.00 C ATOM 107 O ALA A 9 -11.052 -7.423 -2.648 1.00 0.00 O ATOM 108 CB ALA A 9 -9.202 -7.957 -4.733 1.00 0.00 C ATOM 0 H ALA A 9 -8.708 -9.911 -3.332 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.914 -7.149 -3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.490 -6.976 -5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.377 -8.347 -5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.052 -8.636 -4.801 1.00 0.00 H new ATOM 114 N LEU A 10 -9.445 -6.566 -1.322 1.00 0.00 N ATOM 115 CA LEU A 10 -10.342 -5.893 -0.401 1.00 0.00 C ATOM 116 C LEU A 10 -10.856 -4.628 -1.077 1.00 0.00 C ATOM 117 O LEU A 10 -10.320 -4.203 -2.106 1.00 0.00 O ATOM 118 CB LEU A 10 -9.616 -5.532 0.904 1.00 0.00 C ATOM 119 CG LEU A 10 -9.016 -6.692 1.716 1.00 0.00 C ATOM 120 CD1 LEU A 10 -8.333 -6.137 2.971 1.00 0.00 C ATOM 121 CD2 LEU A 10 -10.096 -7.698 2.125 1.00 0.00 C ATOM 0 H LEU A 10 -8.460 -6.461 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.171 -6.555 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.812 -4.837 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.318 -4.998 1.545 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.287 -7.207 1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.907 -6.959 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.539 -5.449 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.066 -5.608 3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.642 -8.507 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.847 -7.197 2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.569 -8.107 1.232 1.00 0.00 H new ATOM 133 N LYS A 11 -11.894 -4.018 -0.511 1.00 0.00 N ATOM 134 CA LYS A 11 -12.452 -2.761 -1.005 1.00 0.00 C ATOM 135 C LYS A 11 -12.507 -1.684 0.070 1.00 0.00 C ATOM 136 O LYS A 11 -12.501 -0.496 -0.247 1.00 0.00 O ATOM 137 CB LYS A 11 -13.825 -2.977 -1.649 1.00 0.00 C ATOM 138 CG LYS A 11 -14.845 -3.430 -0.614 1.00 0.00 C ATOM 139 CD LYS A 11 -16.182 -3.823 -1.238 1.00 0.00 C ATOM 140 CE LYS A 11 -16.183 -5.295 -1.657 1.00 0.00 C ATOM 141 NZ LYS A 11 -17.496 -5.684 -2.203 1.00 0.00 N ATOM 0 H LYS A 11 -12.376 -4.385 0.310 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.772 -2.398 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.162 -2.052 -2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.747 -3.723 -2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.443 -4.279 -0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.007 -2.628 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.986 -3.644 -0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.380 -3.194 -2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.408 -5.465 -2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.941 -5.922 -0.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.474 -6.686 -2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.229 -5.542 -1.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.713 -5.099 -3.035 1.00 0.00 H new ATOM 155 N GLU A 12 -12.562 -2.089 1.331 1.00 0.00 N ATOM 156 CA GLU A 12 -12.606 -1.209 2.481 1.00 0.00 C ATOM 157 C GLU A 12 -11.843 -1.877 3.610 1.00 0.00 C ATOM 158 O GLU A 12 -11.616 -3.091 3.573 1.00 0.00 O ATOM 159 CB GLU A 12 -14.059 -0.890 2.861 1.00 0.00 C ATOM 160 CG GLU A 12 -14.946 -2.111 3.200 1.00 0.00 C ATOM 161 CD GLU A 12 -16.271 -2.187 2.420 1.00 0.00 C ATOM 162 OE1 GLU A 12 -16.911 -1.130 2.209 1.00 0.00 O ATOM 163 OE2 GLU A 12 -16.729 -3.310 2.098 1.00 0.00 O ATOM 0 H GLU A 12 -12.578 -3.076 1.586 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.135 -0.252 2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.052 -0.219 3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.520 -0.347 2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.376 -3.020 3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.170 -2.094 4.267 1.00 0.00 H new ATOM 170 N PHE A 13 -11.380 -1.092 4.572 1.00 0.00 N ATOM 171 CA PHE A 13 -10.720 -1.592 5.769 1.00 0.00 C ATOM 172 C PHE A 13 -10.848 -0.552 6.869 1.00 0.00 C ATOM 173 O PHE A 13 -11.342 0.555 6.631 1.00 0.00 O ATOM 174 CB PHE A 13 -9.243 -1.962 5.503 1.00 0.00 C ATOM 175 CG PHE A 13 -8.269 -0.846 5.134 1.00 0.00 C ATOM 176 CD1 PHE A 13 -8.324 -0.243 3.860 1.00 0.00 C ATOM 177 CD2 PHE A 13 -7.208 -0.512 6.006 1.00 0.00 C ATOM 178 CE1 PHE A 13 -7.338 0.678 3.462 1.00 0.00 C ATOM 179 CE2 PHE A 13 -6.210 0.398 5.595 1.00 0.00 C ATOM 180 CZ PHE A 13 -6.287 1.009 4.333 1.00 0.00 C ATOM 0 H PHE A 13 -11.453 -0.075 4.542 1.00 0.00 H new ATOM 0 HA PHE A 13 -11.208 -2.514 6.085 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.859 -2.456 6.395 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.225 -2.698 4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.130 -0.490 3.185 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.161 -0.954 6.990 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.389 1.132 2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.385 0.625 6.253 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.541 1.730 4.033 1.00 0.00 H new ATOM 190 N THR A 14 -10.343 -0.897 8.046 1.00 0.00 N ATOM 191 CA THR A 14 -10.062 0.051 9.098 1.00 0.00 C ATOM 192 C THR A 14 -8.646 -0.285 9.540 1.00 0.00 C ATOM 193 O THR A 14 -8.342 -1.454 9.779 1.00 0.00 O ATOM 194 CB THR A 14 -11.087 -0.063 10.238 1.00 0.00 C ATOM 195 OG1 THR A 14 -12.416 -0.007 9.750 1.00 0.00 O ATOM 196 CG2 THR A 14 -10.932 1.049 11.282 1.00 0.00 C ATOM 0 H THR A 14 -10.116 -1.860 8.293 1.00 0.00 H new ATOM 0 HA THR A 14 -10.138 1.087 8.768 1.00 0.00 H new ATOM 0 HB THR A 14 -10.891 -1.029 10.704 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.043 -0.083 10.499 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.680 0.921 12.064 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.936 0.999 11.721 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.070 2.019 10.804 1.00 0.00 H new ATOM 204 N ALA A 15 -7.772 0.712 9.608 1.00 0.00 N ATOM 205 CA ALA A 15 -6.468 0.589 10.225 1.00 0.00 C ATOM 206 C ALA A 15 -6.240 1.852 11.032 1.00 0.00 C ATOM 207 O ALA A 15 -6.690 2.922 10.629 1.00 0.00 O ATOM 208 CB ALA A 15 -5.376 0.439 9.162 1.00 0.00 C ATOM 0 H ALA A 15 -7.957 1.640 9.229 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.428 -0.296 10.860 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.405 0.348 9.648 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.568 -0.453 8.566 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.377 1.315 8.514 1.00 0.00 H new ATOM 214 N ASP A 16 -5.491 1.755 12.128 1.00 0.00 N ATOM 215 CA ASP A 16 -4.993 2.921 12.862 1.00 0.00 C ATOM 216 C ASP A 16 -6.139 3.834 13.307 1.00 0.00 C ATOM 217 O ASP A 16 -6.035 5.063 13.315 1.00 0.00 O ATOM 218 CB ASP A 16 -3.986 3.651 11.976 1.00 0.00 C ATOM 219 CG ASP A 16 -2.810 4.236 12.745 1.00 0.00 C ATOM 220 OD1 ASP A 16 -1.893 3.451 13.092 1.00 0.00 O ATOM 221 OD2 ASP A 16 -2.765 5.473 12.918 1.00 0.00 O ATOM 0 H ASP A 16 -5.210 0.863 12.535 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.497 2.599 13.777 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.609 2.959 11.223 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.497 4.454 11.444 1.00 0.00 H new ATOM 226 N PHE A 17 -7.272 3.213 13.630 1.00 0.00 N ATOM 227 CA PHE A 17 -8.520 3.863 14.031 1.00 0.00 C ATOM 228 C PHE A 17 -9.059 4.801 12.937 1.00 0.00 C ATOM 229 O PHE A 17 -9.610 5.872 13.218 1.00 0.00 O ATOM 230 CB PHE A 17 -8.338 4.577 15.377 1.00 0.00 C ATOM 231 CG PHE A 17 -7.521 3.830 16.407 1.00 0.00 C ATOM 232 CD1 PHE A 17 -8.086 2.762 17.126 1.00 0.00 C ATOM 233 CD2 PHE A 17 -6.182 4.202 16.629 1.00 0.00 C ATOM 234 CE1 PHE A 17 -7.310 2.073 18.071 1.00 0.00 C ATOM 235 CE2 PHE A 17 -5.421 3.537 17.601 1.00 0.00 C ATOM 236 CZ PHE A 17 -5.986 2.471 18.315 1.00 0.00 C ATOM 0 H PHE A 17 -7.349 2.196 13.619 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.279 3.092 14.163 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.866 5.542 15.195 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.323 4.779 15.797 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.112 2.473 16.952 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.740 5.000 16.050 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.731 1.237 18.610 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.405 3.844 17.799 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.399 1.952 19.058 1.00 0.00 H new ATOM 246 N THR A 18 -8.878 4.415 11.676 1.00 0.00 N ATOM 247 CA THR A 18 -9.267 5.163 10.494 1.00 0.00 C ATOM 248 C THR A 18 -9.893 4.172 9.513 1.00 0.00 C ATOM 249 O THR A 18 -9.262 3.176 9.160 1.00 0.00 O ATOM 250 CB THR A 18 -8.021 5.842 9.897 1.00 0.00 C ATOM 251 OG1 THR A 18 -7.247 6.499 10.893 1.00 0.00 O ATOM 252 CG2 THR A 18 -8.430 6.858 8.829 1.00 0.00 C ATOM 0 H THR A 18 -8.433 3.527 11.445 1.00 0.00 H new ATOM 0 HA THR A 18 -9.990 5.945 10.727 1.00 0.00 H new ATOM 0 HB THR A 18 -7.411 5.057 9.450 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.833 5.831 11.479 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.539 7.330 8.416 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.974 6.350 8.033 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.069 7.619 9.277 1.00 0.00 H new ATOM 260 N GLN A 19 -11.149 4.395 9.127 1.00 0.00 N ATOM 261 CA GLN A 19 -11.816 3.642 8.077 1.00 0.00 C ATOM 262 C GLN A 19 -11.365 4.178 6.715 1.00 0.00 C ATOM 263 O GLN A 19 -11.071 5.372 6.588 1.00 0.00 O ATOM 264 CB GLN A 19 -13.332 3.762 8.277 1.00 0.00 C ATOM 265 CG GLN A 19 -14.147 2.866 7.333 1.00 0.00 C ATOM 266 CD GLN A 19 -15.283 2.188 8.083 1.00 0.00 C ATOM 267 OE1 GLN A 19 -16.421 2.664 8.096 1.00 0.00 O ATOM 268 NE2 GLN A 19 -14.982 1.090 8.750 1.00 0.00 N ATOM 0 H GLN A 19 -11.737 5.116 9.545 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.553 2.585 8.118 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.576 3.507 9.308 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.629 4.800 8.127 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.550 3.463 6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.497 2.112 6.888 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.032 0.720 8.721 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.699 0.612 9.295 1.00 0.00 H new ATOM 277 N PHE A 20 -11.347 3.313 5.701 1.00 0.00 N ATOM 278 CA PHE A 20 -10.816 3.583 4.368 1.00 0.00 C ATOM 279 C PHE A 20 -11.562 2.765 3.317 1.00 0.00 C ATOM 280 O PHE A 20 -12.128 1.714 3.633 1.00 0.00 O ATOM 281 CB PHE A 20 -9.353 3.152 4.335 1.00 0.00 C ATOM 282 CG PHE A 20 -8.396 3.900 5.239 1.00 0.00 C ATOM 283 CD1 PHE A 20 -8.044 5.235 4.967 1.00 0.00 C ATOM 284 CD2 PHE A 20 -7.816 3.236 6.333 1.00 0.00 C ATOM 285 CE1 PHE A 20 -7.069 5.883 5.743 1.00 0.00 C ATOM 286 CE2 PHE A 20 -6.838 3.881 7.109 1.00 0.00 C ATOM 287 CZ PHE A 20 -6.449 5.198 6.803 1.00 0.00 C ATOM 0 H PHE A 20 -11.717 2.367 5.791 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.929 4.646 4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.306 2.094 4.593 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.995 3.247 3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.526 5.764 4.158 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.122 2.230 6.578 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.796 6.905 5.526 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.384 3.365 7.942 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.676 5.682 7.381 1.00 0.00 H new ATOM 297 N HIS A 21 -11.486 3.212 2.060 1.00 0.00 N ATOM 298 CA HIS A 21 -12.163 2.646 0.897 1.00 0.00 C ATOM 299 C HIS A 21 -11.255 2.804 -0.328 1.00 0.00 C ATOM 300 O HIS A 21 -10.315 3.607 -0.300 1.00 0.00 O ATOM 301 CB HIS A 21 -13.493 3.388 0.664 1.00 0.00 C ATOM 302 CG HIS A 21 -14.306 3.576 1.920 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.206 4.642 2.786 1.00 0.00 N ATOM 304 CD2 HIS A 21 -15.156 2.664 2.480 1.00 0.00 C ATOM 305 CE1 HIS A 21 -14.948 4.372 3.867 1.00 0.00 C ATOM 306 NE2 HIS A 21 -15.568 3.186 3.713 1.00 0.00 N ATOM 0 H HIS A 21 -10.918 4.024 1.817 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.372 1.589 1.064 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.283 4.364 0.227 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -14.086 2.834 -0.064 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -13.661 5.490 2.631 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.454 1.718 2.052 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.036 5.010 4.734 1.00 0.00 H new ATOM 314 N ILE A 22 -11.543 2.100 -1.427 1.00 0.00 N ATOM 315 CA ILE A 22 -10.884 2.351 -2.709 1.00 0.00 C ATOM 316 C ILE A 22 -11.177 3.798 -3.113 1.00 0.00 C ATOM 317 O ILE A 22 -12.332 4.184 -3.277 1.00 0.00 O ATOM 318 CB ILE A 22 -11.327 1.346 -3.802 1.00 0.00 C ATOM 319 CG1 ILE A 22 -11.129 -0.133 -3.410 1.00 0.00 C ATOM 320 CG2 ILE A 22 -10.596 1.615 -5.129 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.744 -0.502 -2.860 1.00 0.00 C ATOM 0 H ILE A 22 -12.232 1.348 -1.452 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.809 2.206 -2.601 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.398 1.509 -3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.877 -0.393 -2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.327 -0.750 -4.286 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.926 0.895 -5.878 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.823 2.625 -5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.521 1.516 -4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.720 -1.565 -2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.984 -0.283 -3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.543 0.079 -1.960 1.00 0.00 H new ATOM 333 N GLY A 23 -10.137 4.606 -3.281 1.00 0.00 N ATOM 334 CA GLY A 23 -10.220 5.992 -3.707 1.00 0.00 C ATOM 335 C GLY A 23 -10.441 6.970 -2.559 1.00 0.00 C ATOM 336 O GLY A 23 -10.556 8.161 -2.843 1.00 0.00 O ATOM 0 H GLY A 23 -9.178 4.299 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.301 6.259 -4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.035 6.095 -4.423 1.00 0.00 H new ATOM 340 N ASP A 24 -10.461 6.527 -1.297 1.00 0.00 N ATOM 341 CA ASP A 24 -10.167 7.443 -0.189 1.00 0.00 C ATOM 342 C ASP A 24 -8.684 7.819 -0.244 1.00 0.00 C ATOM 343 O ASP A 24 -7.944 7.313 -1.088 1.00 0.00 O ATOM 344 CB ASP A 24 -10.526 6.827 1.177 1.00 0.00 C ATOM 345 CG ASP A 24 -11.708 7.529 1.839 1.00 0.00 C ATOM 346 OD1 ASP A 24 -11.760 8.780 1.839 1.00 0.00 O ATOM 347 OD2 ASP A 24 -12.569 6.805 2.385 1.00 0.00 O ATOM 0 H ASP A 24 -10.671 5.568 -1.021 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.782 8.337 -0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.761 5.771 1.046 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.659 6.881 1.836 1.00 0.00 H new ATOM 352 N THR A 25 -8.219 8.673 0.662 1.00 0.00 N ATOM 353 CA THR A 25 -6.866 9.198 0.682 1.00 0.00 C ATOM 354 C THR A 25 -6.270 8.994 2.080 1.00 0.00 C ATOM 355 O THR A 25 -6.949 9.126 3.102 1.00 0.00 O ATOM 356 CB THR A 25 -6.870 10.680 0.257 1.00 0.00 C ATOM 357 OG1 THR A 25 -7.986 11.061 -0.543 1.00 0.00 O ATOM 358 CG2 THR A 25 -5.658 11.060 -0.574 1.00 0.00 C ATOM 0 H THR A 25 -8.795 9.028 1.425 1.00 0.00 H new ATOM 0 HA THR A 25 -6.240 8.663 -0.032 1.00 0.00 H new ATOM 0 HB THR A 25 -6.891 11.192 1.219 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.917 12.012 -0.769 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.717 12.115 -0.843 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.751 10.883 0.004 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.634 10.455 -1.481 1.00 0.00 H new ATOM 366 N VAL A 26 -4.981 8.681 2.132 1.00 0.00 N ATOM 367 CA VAL A 26 -4.287 8.305 3.366 1.00 0.00 C ATOM 368 C VAL A 26 -3.747 9.554 4.070 1.00 0.00 C ATOM 369 O VAL A 26 -3.651 10.616 3.447 1.00 0.00 O ATOM 370 CB VAL A 26 -3.185 7.250 3.095 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.787 6.030 2.394 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.967 7.767 2.322 1.00 0.00 C ATOM 0 H VAL A 26 -4.377 8.680 1.310 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.001 7.832 4.041 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.799 6.974 4.076 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.004 5.294 2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.556 5.589 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.230 6.337 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.253 6.955 2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.286 8.141 1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.495 8.573 2.884 1.00 0.00 H new ATOM 382 N PRO A 27 -3.379 9.457 5.355 1.00 0.00 N ATOM 383 CA PRO A 27 -2.566 10.459 6.037 1.00 0.00 C ATOM 384 C PRO A 27 -1.105 10.463 5.557 1.00 0.00 C ATOM 385 O PRO A 27 -0.553 9.427 5.179 1.00 0.00 O ATOM 386 CB PRO A 27 -2.625 10.071 7.511 1.00 0.00 C ATOM 387 CG PRO A 27 -2.833 8.565 7.457 1.00 0.00 C ATOM 388 CD PRO A 27 -3.777 8.409 6.283 1.00 0.00 C ATOM 0 HA PRO A 27 -2.945 11.461 5.837 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.706 10.334 8.035 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.442 10.574 8.029 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.896 8.031 7.299 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.266 8.181 8.381 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.687 7.422 5.830 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.816 8.525 6.591 1.00 0.00 H new ATOM 396 N ALA A 28 -0.442 11.615 5.692 1.00 0.00 N ATOM 397 CA ALA A 28 0.940 11.853 5.284 1.00 0.00 C ATOM 398 C ALA A 28 1.966 11.054 6.102 1.00 0.00 C ATOM 399 O ALA A 28 3.120 10.931 5.689 1.00 0.00 O ATOM 400 CB ALA A 28 1.234 13.352 5.322 1.00 0.00 C ATOM 0 H ALA A 28 -0.875 12.440 6.107 1.00 0.00 H new ATOM 0 HA ALA A 28 1.045 11.489 4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.266 13.528 5.017 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.561 13.872 4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.086 13.726 6.335 1.00 0.00 H new ATOM 406 N MET A 29 1.560 10.433 7.215 1.00 0.00 N ATOM 407 CA MET A 29 2.355 9.460 7.958 1.00 0.00 C ATOM 408 C MET A 29 2.822 8.300 7.103 1.00 0.00 C ATOM 409 O MET A 29 3.818 7.675 7.463 1.00 0.00 O ATOM 410 CB MET A 29 1.595 8.913 9.177 1.00 0.00 C ATOM 411 CG MET A 29 0.128 8.574 8.975 1.00 0.00 C ATOM 412 SD MET A 29 -0.960 9.110 10.334 1.00 0.00 S ATOM 413 CE MET A 29 -0.439 7.961 11.624 1.00 0.00 C ATOM 0 H MET A 29 0.644 10.601 7.632 1.00 0.00 H new ATOM 0 HA MET A 29 3.235 10.008 8.296 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.107 8.014 9.521 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.666 9.647 9.979 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.215 9.034 8.048 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.030 7.496 8.851 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.221 7.883 12.379 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.259 6.979 11.186 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.478 8.325 12.087 1.00 0.00 H new ATOM 423 N TYR A 30 2.137 8.029 5.995 1.00 0.00 N ATOM 424 CA TYR A 30 2.398 6.860 5.165 1.00 0.00 C ATOM 425 C TYR A 30 2.935 7.221 3.782 1.00 0.00 C ATOM 426 O TYR A 30 3.416 6.343 3.070 1.00 0.00 O ATOM 427 CB TYR A 30 1.107 6.048 5.095 1.00 0.00 C ATOM 428 CG TYR A 30 0.500 5.717 6.453 1.00 0.00 C ATOM 429 CD1 TYR A 30 1.310 5.397 7.564 1.00 0.00 C ATOM 430 CD2 TYR A 30 -0.891 5.814 6.628 1.00 0.00 C ATOM 431 CE1 TYR A 30 0.730 5.109 8.808 1.00 0.00 C ATOM 432 CE2 TYR A 30 -1.484 5.492 7.858 1.00 0.00 C ATOM 433 CZ TYR A 30 -0.675 5.097 8.942 1.00 0.00 C ATOM 434 OH TYR A 30 -1.238 4.848 10.148 1.00 0.00 O ATOM 0 H TYR A 30 1.381 8.619 5.647 1.00 0.00 H new ATOM 0 HA TYR A 30 3.191 6.263 5.615 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.374 6.602 4.508 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.305 5.118 4.562 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.384 5.374 7.455 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.511 6.140 5.806 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.357 4.897 9.661 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.556 5.547 7.974 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.214 4.878 10.066 1.00 0.00 H new ATOM 444 N LEU A 31 2.907 8.504 3.409 1.00 0.00 N ATOM 445 CA LEU A 31 3.503 8.976 2.161 1.00 0.00 C ATOM 446 C LEU A 31 5.029 8.879 2.241 1.00 0.00 C ATOM 447 O LEU A 31 5.683 8.712 1.208 1.00 0.00 O ATOM 448 CB LEU A 31 3.084 10.438 1.883 1.00 0.00 C ATOM 449 CG LEU A 31 1.714 10.642 1.201 1.00 0.00 C ATOM 450 CD1 LEU A 31 1.741 10.242 -0.275 1.00 0.00 C ATOM 451 CD2 LEU A 31 0.570 9.877 1.867 1.00 0.00 C ATOM 0 H LEU A 31 2.471 9.241 3.964 1.00 0.00 H new ATOM 0 HA LEU A 31 3.146 8.348 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.078 10.977 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.849 10.900 1.258 1.00 0.00 H new ATOM 0 HG LEU A 31 1.527 11.711 1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.756 10.402 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.477 10.849 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.010 9.189 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.359 10.072 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.785 8.809 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.467 10.205 2.901 1.00 0.00 H new ATOM 463 N THR A 32 5.588 9.021 3.445 1.00 0.00 N ATOM 464 CA THR A 32 7.026 9.054 3.665 1.00 0.00 C ATOM 465 C THR A 32 7.639 7.686 3.304 1.00 0.00 C ATOM 466 O THR A 32 7.039 6.659 3.622 1.00 0.00 O ATOM 467 CB THR A 32 7.251 9.473 5.130 1.00 0.00 C ATOM 468 OG1 THR A 32 8.616 9.661 5.426 1.00 0.00 O ATOM 469 CG2 THR A 32 6.674 8.506 6.158 1.00 0.00 C ATOM 0 H THR A 32 5.043 9.117 4.302 1.00 0.00 H new ATOM 0 HA THR A 32 7.530 9.777 3.024 1.00 0.00 H new ATOM 0 HB THR A 32 6.710 10.415 5.212 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.714 9.927 6.364 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.878 8.878 7.162 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.597 8.422 6.014 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.134 7.526 6.034 1.00 0.00 H new ATOM 477 N PRO A 33 8.862 7.641 2.733 1.00 0.00 N ATOM 478 CA PRO A 33 9.460 6.431 2.155 1.00 0.00 C ATOM 479 C PRO A 33 9.759 5.307 3.148 1.00 0.00 C ATOM 480 O PRO A 33 10.189 4.225 2.743 1.00 0.00 O ATOM 481 CB PRO A 33 10.743 6.900 1.462 1.00 0.00 C ATOM 482 CG PRO A 33 11.045 8.274 2.048 1.00 0.00 C ATOM 483 CD PRO A 33 9.667 8.807 2.403 1.00 0.00 C ATOM 0 HA PRO A 33 8.740 5.976 1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.564 6.206 1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.608 6.955 0.382 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.689 8.206 2.925 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.553 8.916 1.329 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.720 9.496 3.246 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.234 9.357 1.568 1.00 0.00 H new ATOM 491 N GLU A 34 9.556 5.535 4.441 1.00 0.00 N ATOM 492 CA GLU A 34 9.668 4.534 5.490 1.00 0.00 C ATOM 493 C GLU A 34 8.782 3.312 5.218 1.00 0.00 C ATOM 494 O GLU A 34 9.192 2.195 5.537 1.00 0.00 O ATOM 495 CB GLU A 34 9.305 5.188 6.829 1.00 0.00 C ATOM 496 CG GLU A 34 10.441 6.101 7.310 1.00 0.00 C ATOM 497 CD GLU A 34 10.120 6.825 8.618 1.00 0.00 C ATOM 498 OE1 GLU A 34 9.021 7.414 8.747 1.00 0.00 O ATOM 499 OE2 GLU A 34 11.014 6.942 9.496 1.00 0.00 O ATOM 0 H GLU A 34 9.300 6.456 4.798 1.00 0.00 H new ATOM 0 HA GLU A 34 10.694 4.168 5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.388 5.766 6.720 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.110 4.418 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.344 5.506 7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.657 6.839 6.537 1.00 0.00 H new ATOM 506 N TYR A 35 7.611 3.487 4.603 1.00 0.00 N ATOM 507 CA TYR A 35 6.618 2.421 4.442 1.00 0.00 C ATOM 508 C TYR A 35 6.610 1.850 3.017 1.00 0.00 C ATOM 509 O TYR A 35 5.964 0.838 2.772 1.00 0.00 O ATOM 510 CB TYR A 35 5.237 2.938 4.885 1.00 0.00 C ATOM 511 CG TYR A 35 5.222 3.461 6.311 1.00 0.00 C ATOM 512 CD1 TYR A 35 5.670 4.768 6.586 1.00 0.00 C ATOM 513 CD2 TYR A 35 4.847 2.615 7.373 1.00 0.00 C ATOM 514 CE1 TYR A 35 5.815 5.206 7.910 1.00 0.00 C ATOM 515 CE2 TYR A 35 4.950 3.065 8.703 1.00 0.00 C ATOM 516 CZ TYR A 35 5.466 4.353 8.977 1.00 0.00 C ATOM 517 OH TYR A 35 5.664 4.738 10.270 1.00 0.00 O ATOM 0 H TYR A 35 7.322 4.378 4.200 1.00 0.00 H new ATOM 0 HA TYR A 35 6.890 1.584 5.085 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.921 3.733 4.210 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.508 2.133 4.793 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.903 5.437 5.771 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.480 1.620 7.167 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.194 6.197 8.113 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.635 2.426 9.515 1.00 0.00 H new ATOM 0 HH TYR A 35 5.365 4.026 10.873 1.00 0.00 H new ATOM 527 N ASN A 36 7.341 2.486 2.100 1.00 0.00 N ATOM 528 CA ASN A 36 7.410 2.249 0.657 1.00 0.00 C ATOM 529 C ASN A 36 8.058 0.903 0.329 1.00 0.00 C ATOM 530 O ASN A 36 9.291 0.778 0.322 1.00 0.00 O ATOM 531 CB ASN A 36 8.183 3.404 0.001 1.00 0.00 C ATOM 532 CG ASN A 36 8.278 3.335 -1.520 1.00 0.00 C ATOM 533 OD1 ASN A 36 8.031 2.323 -2.176 1.00 0.00 O ATOM 534 ND2 ASN A 36 8.670 4.443 -2.123 1.00 0.00 N ATOM 0 H ASN A 36 7.957 3.251 2.374 1.00 0.00 H new ATOM 0 HA ASN A 36 6.396 2.211 0.260 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.706 4.344 0.278 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.192 3.426 0.412 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.770 4.463 -3.138 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.873 5.278 -1.574 1.00 0.00 H new ATOM 541 N ILE A 37 7.235 -0.099 0.026 1.00 0.00 N ATOM 542 CA ILE A 37 7.660 -1.449 -0.308 1.00 0.00 C ATOM 543 C ILE A 37 8.088 -1.479 -1.775 1.00 0.00 C ATOM 544 O ILE A 37 7.329 -1.852 -2.675 1.00 0.00 O ATOM 545 CB ILE A 37 6.573 -2.497 0.012 1.00 0.00 C ATOM 546 CG1 ILE A 37 5.977 -2.310 1.424 1.00 0.00 C ATOM 547 CG2 ILE A 37 7.196 -3.904 -0.128 1.00 0.00 C ATOM 548 CD1 ILE A 37 4.716 -3.138 1.611 1.00 0.00 C ATOM 0 H ILE A 37 6.222 0.014 0.007 1.00 0.00 H new ATOM 0 HA ILE A 37 8.512 -1.722 0.314 1.00 0.00 H new ATOM 0 HB ILE A 37 5.750 -2.371 -0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.716 -2.596 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.749 -1.257 1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.442 -4.659 0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.558 -4.042 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.028 -4.005 0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.324 -2.982 2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.969 -2.833 0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.950 -4.194 1.473 1.00 0.00 H new ATOM 560 N LYS A 38 9.349 -1.128 -2.020 1.00 0.00 N ATOM 561 CA LYS A 38 9.964 -1.238 -3.346 1.00 0.00 C ATOM 562 C LYS A 38 10.137 -2.694 -3.789 1.00 0.00 C ATOM 563 O LYS A 38 10.495 -2.934 -4.942 1.00 0.00 O ATOM 564 CB LYS A 38 11.323 -0.520 -3.388 1.00 0.00 C ATOM 565 CG LYS A 38 11.243 0.964 -3.003 1.00 0.00 C ATOM 566 CD LYS A 38 12.608 1.649 -3.147 1.00 0.00 C ATOM 567 CE LYS A 38 12.823 2.158 -4.576 1.00 0.00 C ATOM 568 NZ LYS A 38 14.197 2.659 -4.790 1.00 0.00 N ATOM 0 H LYS A 38 9.976 -0.759 -1.305 1.00 0.00 H new ATOM 0 HA LYS A 38 9.280 -0.754 -4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.013 -1.026 -2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.739 -0.605 -4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.512 1.468 -3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.893 1.057 -1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.676 2.482 -2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.400 0.947 -2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.618 1.353 -5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.110 2.955 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.296 2.993 -5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.386 3.445 -4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.877 1.892 -4.615 1.00 0.00 H new ATOM 582 N GLN A 39 9.946 -3.678 -2.910 1.00 0.00 N ATOM 583 CA GLN A 39 10.106 -5.096 -3.204 1.00 0.00 C ATOM 584 C GLN A 39 8.728 -5.662 -3.558 1.00 0.00 C ATOM 585 O GLN A 39 7.994 -6.105 -2.674 1.00 0.00 O ATOM 586 CB GLN A 39 10.727 -5.814 -1.991 1.00 0.00 C ATOM 587 CG GLN A 39 12.231 -5.562 -1.783 1.00 0.00 C ATOM 588 CD GLN A 39 12.608 -4.103 -1.522 1.00 0.00 C ATOM 589 OE1 GLN A 39 13.224 -3.441 -2.355 1.00 0.00 O ATOM 590 NE2 GLN A 39 12.235 -3.538 -0.388 1.00 0.00 N ATOM 0 H GLN A 39 9.667 -3.501 -1.945 1.00 0.00 H new ATOM 0 HA GLN A 39 10.780 -5.249 -4.047 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.195 -5.503 -1.092 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.566 -6.886 -2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.573 -6.167 -0.943 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.768 -5.909 -2.666 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.724 -4.081 0.308 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.458 -2.559 -0.208 1.00 0.00 H new ATOM 599 N TRP A 40 8.349 -5.627 -4.836 1.00 0.00 N ATOM 600 CA TRP A 40 7.056 -6.119 -5.297 1.00 0.00 C ATOM 601 C TRP A 40 7.150 -7.030 -6.520 1.00 0.00 C ATOM 602 O TRP A 40 6.294 -7.895 -6.658 1.00 0.00 O ATOM 603 CB TRP A 40 6.094 -4.951 -5.524 1.00 0.00 C ATOM 604 CG TRP A 40 6.498 -3.902 -6.509 1.00 0.00 C ATOM 605 CD1 TRP A 40 7.009 -2.684 -6.213 1.00 0.00 C ATOM 606 CD2 TRP A 40 6.413 -3.962 -7.962 1.00 0.00 C ATOM 607 NE1 TRP A 40 7.269 -1.996 -7.382 1.00 0.00 N ATOM 608 CE2 TRP A 40 6.935 -2.745 -8.489 1.00 0.00 C ATOM 609 CE3 TRP A 40 5.946 -4.921 -8.887 1.00 0.00 C ATOM 610 CZ2 TRP A 40 7.028 -2.509 -9.866 1.00 0.00 C ATOM 611 CZ3 TRP A 40 6.072 -4.708 -10.272 1.00 0.00 C ATOM 612 CH2 TRP A 40 6.624 -3.511 -10.761 1.00 0.00 C ATOM 0 H TRP A 40 8.936 -5.254 -5.582 1.00 0.00 H new ATOM 0 HA TRP A 40 6.656 -6.751 -4.504 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.137 -5.362 -5.845 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.926 -4.463 -4.564 1.00 0.00 H new ATOM 0 HD1 TRP A 40 7.186 -2.308 -5.216 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.658 -1.054 -7.421 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.486 -5.829 -8.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.406 -1.567 -10.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.743 -5.469 -10.964 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.737 -3.363 -11.825 1.00 0.00 H new ATOM 623 N GLN A 41 8.181 -6.921 -7.364 1.00 0.00 N ATOM 624 CA GLN A 41 8.347 -7.784 -8.540 1.00 0.00 C ATOM 625 C GLN A 41 8.480 -9.258 -8.144 1.00 0.00 C ATOM 626 O GLN A 41 7.972 -10.138 -8.833 1.00 0.00 O ATOM 627 CB GLN A 41 9.578 -7.335 -9.349 1.00 0.00 C ATOM 628 CG GLN A 41 9.205 -6.879 -10.766 1.00 0.00 C ATOM 629 CD GLN A 41 10.357 -6.182 -11.485 1.00 0.00 C ATOM 630 OE1 GLN A 41 11.478 -6.108 -10.980 1.00 0.00 O ATOM 631 NE2 GLN A 41 10.123 -5.645 -12.670 1.00 0.00 N ATOM 0 H GLN A 41 8.925 -6.232 -7.252 1.00 0.00 H new ATOM 0 HA GLN A 41 7.454 -7.688 -9.157 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.077 -6.519 -8.826 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.291 -8.157 -9.410 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.888 -7.744 -11.350 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.353 -6.201 -10.712 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.193 -5.709 -13.084 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.872 -5.167 -13.170 1.00 0.00 H new ATOM 640 N GLN A 42 9.147 -9.533 -7.021 1.00 0.00 N ATOM 641 CA GLN A 42 9.288 -10.880 -6.473 1.00 0.00 C ATOM 642 C GLN A 42 8.056 -11.289 -5.644 1.00 0.00 C ATOM 643 O GLN A 42 8.096 -12.295 -4.934 1.00 0.00 O ATOM 644 CB GLN A 42 10.578 -10.964 -5.635 1.00 0.00 C ATOM 645 CG GLN A 42 11.835 -10.516 -6.400 1.00 0.00 C ATOM 646 CD GLN A 42 13.125 -10.837 -5.645 1.00 0.00 C ATOM 647 OE1 GLN A 42 13.172 -10.830 -4.417 1.00 0.00 O ATOM 648 NE2 GLN A 42 14.204 -11.128 -6.352 1.00 0.00 N ATOM 0 H GLN A 42 9.609 -8.816 -6.461 1.00 0.00 H new ATOM 0 HA GLN A 42 9.357 -11.585 -7.301 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.464 -10.346 -4.744 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.715 -11.991 -5.295 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.857 -11.004 -7.374 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.782 -9.443 -6.583 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.160 -11.133 -7.371 1.00 0.00 H new ATOM 0 HE22 GLN A 42 15.080 -11.348 -5.878 1.00 0.00 H new ATOM 657 N ARG A 43 6.971 -10.504 -5.653 1.00 0.00 N ATOM 658 CA ARG A 43 5.777 -10.758 -4.857 1.00 0.00 C ATOM 659 C ARG A 43 4.572 -10.846 -5.786 1.00 0.00 C ATOM 660 O ARG A 43 4.636 -10.478 -6.959 1.00 0.00 O ATOM 661 CB ARG A 43 5.617 -9.708 -3.737 1.00 0.00 C ATOM 662 CG ARG A 43 6.902 -9.462 -2.915 1.00 0.00 C ATOM 663 CD ARG A 43 6.636 -9.063 -1.457 1.00 0.00 C ATOM 664 NE ARG A 43 5.907 -7.790 -1.316 1.00 0.00 N ATOM 665 CZ ARG A 43 5.193 -7.427 -0.244 1.00 0.00 C ATOM 666 NH1 ARG A 43 5.276 -8.119 0.891 1.00 0.00 N ATOM 667 NH2 ARG A 43 4.389 -6.374 -0.312 1.00 0.00 N ATOM 0 H ARG A 43 6.903 -9.662 -6.225 1.00 0.00 H new ATOM 0 HA ARG A 43 5.867 -11.714 -4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.296 -8.765 -4.180 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.823 -10.030 -3.063 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.510 -10.366 -2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.486 -8.677 -3.396 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.065 -9.854 -0.971 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.588 -8.987 -0.931 1.00 0.00 H new ATOM 0 HE ARG A 43 5.950 -7.135 -2.096 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.888 -8.933 0.948 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.728 -7.835 1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.316 -5.843 -1.180 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.844 -6.095 0.504 1.00 0.00 H new ATOM 681 N ASN A 44 3.464 -11.361 -5.259 1.00 0.00 N ATOM 682 CA ASN A 44 2.293 -11.718 -6.062 1.00 0.00 C ATOM 683 C ASN A 44 1.498 -10.490 -6.489 1.00 0.00 C ATOM 684 O ASN A 44 0.729 -10.552 -7.453 1.00 0.00 O ATOM 685 CB ASN A 44 1.370 -12.638 -5.258 1.00 0.00 C ATOM 686 CG ASN A 44 2.134 -13.830 -4.726 1.00 0.00 C ATOM 687 OD1 ASN A 44 2.588 -14.670 -5.486 1.00 0.00 O ATOM 688 ND2 ASN A 44 2.332 -13.895 -3.423 1.00 0.00 N ATOM 0 H ASN A 44 3.351 -11.544 -4.262 1.00 0.00 H new ATOM 0 HA ASN A 44 2.659 -12.224 -6.956 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.928 -12.084 -4.430 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.549 -12.978 -5.888 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.877 -14.661 -3.028 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.941 -13.179 -2.811 1.00 0.00 H new ATOM 695 N LEU A 45 1.653 -9.392 -5.746 1.00 0.00 N ATOM 696 CA LEU A 45 0.982 -8.120 -5.977 1.00 0.00 C ATOM 697 C LEU A 45 1.289 -7.600 -7.382 1.00 0.00 C ATOM 698 O LEU A 45 2.345 -7.921 -7.936 1.00 0.00 O ATOM 699 CB LEU A 45 1.498 -7.087 -4.965 1.00 0.00 C ATOM 700 CG LEU A 45 0.955 -7.295 -3.544 1.00 0.00 C ATOM 701 CD1 LEU A 45 1.938 -6.756 -2.504 1.00 0.00 C ATOM 702 CD2 LEU A 45 -0.385 -6.583 -3.368 1.00 0.00 C ATOM 0 H LEU A 45 2.274 -9.368 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.092 -8.270 -5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.587 -7.129 -4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.226 -6.088 -5.307 1.00 0.00 H new ATOM 0 HG LEU A 45 0.821 -8.367 -3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.533 -6.914 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.889 -7.280 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.093 -5.690 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.752 -6.743 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.255 -5.515 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.106 -6.982 -4.082 1.00 0.00 H new ATOM 714 N PRO A 46 0.423 -6.743 -7.940 1.00 0.00 N ATOM 715 CA PRO A 46 0.752 -6.024 -9.153 1.00 0.00 C ATOM 716 C PRO A 46 1.823 -4.959 -8.881 1.00 0.00 C ATOM 717 O PRO A 46 2.190 -4.645 -7.735 1.00 0.00 O ATOM 718 CB PRO A 46 -0.575 -5.427 -9.645 1.00 0.00 C ATOM 719 CG PRO A 46 -1.398 -5.273 -8.375 1.00 0.00 C ATOM 720 CD PRO A 46 -0.909 -6.394 -7.465 1.00 0.00 C ATOM 0 HA PRO A 46 1.185 -6.669 -9.918 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.423 -4.469 -10.141 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.067 -6.083 -10.363 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.244 -4.295 -7.918 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.465 -5.365 -8.580 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.880 -6.068 -6.425 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.578 -7.254 -7.511 1.00 0.00 H new ATOM 728 N ALA A 47 2.282 -4.370 -9.984 1.00 0.00 N ATOM 729 CA ALA A 47 3.041 -3.134 -10.022 1.00 0.00 C ATOM 730 C ALA A 47 2.249 -1.995 -9.357 1.00 0.00 C ATOM 731 O ALA A 47 1.050 -2.130 -9.095 1.00 0.00 O ATOM 732 CB ALA A 47 3.355 -2.835 -11.495 1.00 0.00 C ATOM 0 H ALA A 47 2.125 -4.763 -10.912 1.00 0.00 H new ATOM 0 HA ALA A 47 3.972 -3.227 -9.463 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.927 -1.910 -11.565 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.938 -3.654 -11.916 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.424 -2.729 -12.051 1.00 0.00 H new ATOM 738 N PRO A 48 2.890 -0.862 -9.033 1.00 0.00 N ATOM 739 CA PRO A 48 2.158 0.369 -8.797 1.00 0.00 C ATOM 740 C PRO A 48 1.534 0.865 -10.112 1.00 0.00 C ATOM 741 O PRO A 48 1.834 0.365 -11.203 1.00 0.00 O ATOM 742 CB PRO A 48 3.205 1.338 -8.242 1.00 0.00 C ATOM 743 CG PRO A 48 4.493 0.900 -8.933 1.00 0.00 C ATOM 744 CD PRO A 48 4.325 -0.616 -9.012 1.00 0.00 C ATOM 0 HA PRO A 48 1.327 0.255 -8.101 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.957 2.374 -8.474 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.286 1.265 -7.157 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.597 1.349 -9.921 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.377 1.181 -8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.802 -1.015 -9.907 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.792 -1.105 -8.157 1.00 0.00 H new ATOM 752 N ASP A 49 0.689 1.888 -10.011 1.00 0.00 N ATOM 753 CA ASP A 49 0.374 2.747 -11.142 1.00 0.00 C ATOM 754 C ASP A 49 1.482 3.790 -11.244 1.00 0.00 C ATOM 755 O ASP A 49 2.204 4.060 -10.277 1.00 0.00 O ATOM 756 CB ASP A 49 -0.984 3.439 -10.964 1.00 0.00 C ATOM 757 CG ASP A 49 -2.139 2.476 -11.215 1.00 0.00 C ATOM 758 OD1 ASP A 49 -2.529 1.718 -10.305 1.00 0.00 O ATOM 759 OD2 ASP A 49 -2.634 2.437 -12.368 1.00 0.00 O ATOM 0 H ASP A 49 0.208 2.141 -9.148 1.00 0.00 H new ATOM 0 HA ASP A 49 0.310 2.149 -12.051 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.058 3.843 -9.954 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.056 4.283 -11.651 1.00 0.00 H new ATOM 764 N ALA A 50 1.592 4.419 -12.407 1.00 0.00 N ATOM 765 CA ALA A 50 2.531 5.501 -12.627 1.00 0.00 C ATOM 766 C ALA A 50 2.156 6.691 -11.736 1.00 0.00 C ATOM 767 O ALA A 50 1.111 7.306 -11.950 1.00 0.00 O ATOM 768 CB ALA A 50 2.490 5.871 -14.106 1.00 0.00 C ATOM 0 H ALA A 50 1.028 4.189 -13.225 1.00 0.00 H new ATOM 0 HA ALA A 50 3.546 5.200 -12.366 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.190 6.685 -14.297 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.769 5.005 -14.706 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.482 6.189 -14.374 1.00 0.00 H new ATOM 774 N GLY A 51 2.991 7.014 -10.750 1.00 0.00 N ATOM 775 CA GLY A 51 2.748 8.066 -9.772 1.00 0.00 C ATOM 776 C GLY A 51 2.305 7.501 -8.427 1.00 0.00 C ATOM 777 O GLY A 51 1.561 8.171 -7.710 1.00 0.00 O ATOM 0 H GLY A 51 3.880 6.535 -10.608 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.656 8.653 -9.638 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.983 8.744 -10.151 1.00 0.00 H new ATOM 781 N SER A 52 2.640 6.253 -8.086 1.00 0.00 N ATOM 782 CA SER A 52 2.257 5.658 -6.809 1.00 0.00 C ATOM 783 C SER A 52 3.284 4.637 -6.326 1.00 0.00 C ATOM 784 O SER A 52 4.157 4.227 -7.092 1.00 0.00 O ATOM 785 CB SER A 52 0.853 5.049 -6.932 1.00 0.00 C ATOM 786 OG SER A 52 0.651 4.306 -8.118 1.00 0.00 O ATOM 0 H SER A 52 3.182 5.632 -8.687 1.00 0.00 H new ATOM 0 HA SER A 52 2.232 6.440 -6.050 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.673 4.401 -6.074 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.115 5.850 -6.887 1.00 0.00 H new ATOM 0 HG SER A 52 1.467 4.328 -8.661 1.00 0.00 H new ATOM 792 N HIS A 53 3.158 4.196 -5.072 1.00 0.00 N ATOM 793 CA HIS A 53 3.909 3.072 -4.534 1.00 0.00 C ATOM 794 C HIS A 53 3.087 2.344 -3.468 1.00 0.00 C ATOM 795 O HIS A 53 2.084 2.863 -2.977 1.00 0.00 O ATOM 796 CB HIS A 53 5.257 3.531 -3.973 1.00 0.00 C ATOM 797 CG HIS A 53 5.165 4.494 -2.816 1.00 0.00 C ATOM 798 ND1 HIS A 53 5.357 5.856 -2.866 1.00 0.00 N ATOM 799 CD2 HIS A 53 4.883 4.164 -1.519 1.00 0.00 C ATOM 800 CE1 HIS A 53 5.175 6.339 -1.625 1.00 0.00 C ATOM 801 NE2 HIS A 53 4.895 5.342 -0.772 1.00 0.00 N ATOM 0 H HIS A 53 2.521 4.619 -4.397 1.00 0.00 H new ATOM 0 HA HIS A 53 4.111 2.373 -5.346 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.820 2.654 -3.654 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.827 4.001 -4.774 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.595 6.401 -3.695 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.687 3.171 -1.142 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.244 7.382 -1.353 1.00 0.00 H new ATOM 809 N TRP A 54 3.499 1.123 -3.131 1.00 0.00 N ATOM 810 CA TRP A 54 2.796 0.278 -2.178 1.00 0.00 C ATOM 811 C TRP A 54 3.345 0.522 -0.773 1.00 0.00 C ATOM 812 O TRP A 54 4.561 0.671 -0.628 1.00 0.00 O ATOM 813 CB TRP A 54 2.952 -1.186 -2.604 1.00 0.00 C ATOM 814 CG TRP A 54 2.174 -1.555 -3.835 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.608 -1.500 -5.119 1.00 0.00 C ATOM 816 CD2 TRP A 54 0.795 -2.028 -3.901 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.600 -1.933 -5.965 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.452 -2.226 -5.268 1.00 0.00 C ATOM 819 CE3 TRP A 54 -0.208 -2.295 -2.947 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -0.830 -2.617 -5.666 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.495 -2.715 -3.332 1.00 0.00 C ATOM 822 CH2 TRP A 54 -1.810 -2.866 -4.693 1.00 0.00 C ATOM 0 H TRP A 54 4.339 0.692 -3.518 1.00 0.00 H new ATOM 0 HA TRP A 54 1.733 0.520 -2.163 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.008 -1.391 -2.780 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.636 -1.828 -1.782 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.587 -1.170 -5.433 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.697 -2.023 -6.976 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.016 -2.175 -1.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.064 -2.727 -6.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.242 -2.922 -2.580 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.802 -3.172 -4.989 1.00 0.00 H new ATOM 833 N THR A 55 2.487 0.522 0.249 1.00 0.00 N ATOM 834 CA THR A 55 2.876 0.696 1.645 1.00 0.00 C ATOM 835 C THR A 55 2.292 -0.418 2.514 1.00 0.00 C ATOM 836 O THR A 55 1.474 -1.216 2.036 1.00 0.00 O ATOM 837 CB THR A 55 2.507 2.098 2.174 1.00 0.00 C ATOM 838 OG1 THR A 55 1.137 2.222 2.479 1.00 0.00 O ATOM 839 CG2 THR A 55 2.879 3.229 1.225 1.00 0.00 C ATOM 0 H THR A 55 1.482 0.398 0.124 1.00 0.00 H new ATOM 0 HA THR A 55 3.962 0.622 1.700 1.00 0.00 H new ATOM 0 HB THR A 55 3.100 2.192 3.084 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.956 3.126 2.811 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.589 4.183 1.665 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.955 3.221 1.053 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.359 3.094 0.276 1.00 0.00 H new ATOM 847 N TYR A 56 2.706 -0.467 3.787 1.00 0.00 N ATOM 848 CA TYR A 56 2.149 -1.382 4.784 1.00 0.00 C ATOM 849 C TYR A 56 1.198 -0.632 5.723 1.00 0.00 C ATOM 850 O TYR A 56 1.645 0.250 6.463 1.00 0.00 O ATOM 851 CB TYR A 56 3.278 -2.099 5.545 1.00 0.00 C ATOM 852 CG TYR A 56 2.862 -3.449 6.099 1.00 0.00 C ATOM 853 CD1 TYR A 56 2.389 -4.427 5.207 1.00 0.00 C ATOM 854 CD2 TYR A 56 2.940 -3.738 7.475 1.00 0.00 C ATOM 855 CE1 TYR A 56 1.998 -5.691 5.673 1.00 0.00 C ATOM 856 CE2 TYR A 56 2.559 -5.009 7.949 1.00 0.00 C ATOM 857 CZ TYR A 56 2.097 -5.996 7.045 1.00 0.00 C ATOM 858 OH TYR A 56 1.657 -7.207 7.490 1.00 0.00 O ATOM 0 H TYR A 56 3.444 0.134 4.154 1.00 0.00 H new ATOM 0 HA TYR A 56 1.564 -2.151 4.279 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.129 -2.234 4.877 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.614 -1.465 6.365 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.326 -4.203 4.152 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.291 -2.986 8.166 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.621 -6.430 4.981 1.00 0.00 H new ATOM 0 HE2 TYR A 56 2.619 -5.231 9.004 1.00 0.00 H new ATOM 0 HH TYR A 56 0.722 -7.333 7.224 1.00 0.00 H new ATOM 868 N MET A 57 -0.108 -0.909 5.659 1.00 0.00 N ATOM 869 CA MET A 57 -1.163 -0.210 6.377 1.00 0.00 C ATOM 870 C MET A 57 -2.056 -1.214 7.090 1.00 0.00 C ATOM 871 O MET A 57 -2.666 -2.061 6.442 1.00 0.00 O ATOM 872 CB MET A 57 -1.980 0.639 5.389 1.00 0.00 C ATOM 873 CG MET A 57 -2.471 1.892 6.097 1.00 0.00 C ATOM 874 SD MET A 57 -3.064 3.221 5.010 1.00 0.00 S ATOM 875 CE MET A 57 -1.476 3.723 4.292 1.00 0.00 C ATOM 0 H MET A 57 -0.469 -1.664 5.076 1.00 0.00 H new ATOM 0 HA MET A 57 -0.722 0.449 7.125 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.367 0.909 4.529 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.826 0.065 5.010 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.278 1.613 6.775 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.660 2.283 6.711 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.476 4.800 4.126 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.669 3.461 4.976 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.328 3.210 3.342 1.00 0.00 H new ATOM 885 N GLY A 58 -2.123 -1.157 8.419 1.00 0.00 N ATOM 886 CA GLY A 58 -2.929 -2.072 9.227 1.00 0.00 C ATOM 887 C GLY A 58 -2.385 -3.501 9.320 1.00 0.00 C ATOM 888 O GLY A 58 -2.871 -4.269 10.151 1.00 0.00 O ATOM 0 H GLY A 58 -1.614 -0.467 8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.014 -1.665 10.235 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.936 -2.109 8.812 1.00 0.00 H new ATOM 892 N GLY A 59 -1.392 -3.880 8.515 1.00 0.00 N ATOM 893 CA GLY A 59 -1.036 -5.268 8.250 1.00 0.00 C ATOM 894 C GLY A 59 -1.242 -5.651 6.782 1.00 0.00 C ATOM 895 O GLY A 59 -0.834 -6.743 6.383 1.00 0.00 O ATOM 0 H GLY A 59 -0.801 -3.212 8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.006 -5.432 8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.637 -5.922 8.882 1.00 0.00 H new ATOM 899 N ASN A 60 -1.838 -4.767 5.976 1.00 0.00 N ATOM 900 CA ASN A 60 -2.225 -5.006 4.590 1.00 0.00 C ATOM 901 C ASN A 60 -1.337 -4.205 3.648 1.00 0.00 C ATOM 902 O ASN A 60 -0.573 -3.337 4.079 1.00 0.00 O ATOM 903 CB ASN A 60 -3.683 -4.579 4.367 1.00 0.00 C ATOM 904 CG ASN A 60 -4.642 -5.221 5.352 1.00 0.00 C ATOM 905 OD1 ASN A 60 -4.588 -6.430 5.548 1.00 0.00 O ATOM 906 ND2 ASN A 60 -5.484 -4.424 5.993 1.00 0.00 N ATOM 0 H ASN A 60 -2.072 -3.825 6.290 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.114 -6.071 4.385 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.756 -3.495 4.451 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.982 -4.841 3.352 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.126 -4.811 6.685 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.491 -3.424 5.794 1.00 0.00 H new ATOM 913 N TYR A 61 -1.488 -4.443 2.346 1.00 0.00 N ATOM 914 CA TYR A 61 -0.734 -3.774 1.301 1.00 0.00 C ATOM 915 C TYR A 61 -1.668 -2.837 0.556 1.00 0.00 C ATOM 916 O TYR A 61 -2.639 -3.281 -0.062 1.00 0.00 O ATOM 917 CB TYR A 61 -0.109 -4.816 0.370 1.00 0.00 C ATOM 918 CG TYR A 61 0.852 -5.735 1.094 1.00 0.00 C ATOM 919 CD1 TYR A 61 2.043 -5.213 1.623 1.00 0.00 C ATOM 920 CD2 TYR A 61 0.522 -7.082 1.315 1.00 0.00 C ATOM 921 CE1 TYR A 61 2.914 -6.040 2.353 1.00 0.00 C ATOM 922 CE2 TYR A 61 1.405 -7.923 2.015 1.00 0.00 C ATOM 923 CZ TYR A 61 2.597 -7.397 2.555 1.00 0.00 C ATOM 924 OH TYR A 61 3.485 -8.178 3.222 1.00 0.00 O ATOM 0 H TYR A 61 -2.156 -5.124 1.986 1.00 0.00 H new ATOM 0 HA TYR A 61 0.080 -3.186 1.726 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.900 -5.410 -0.089 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.418 -4.308 -0.438 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.291 -4.173 1.469 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.414 -7.474 0.946 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.828 -5.634 2.760 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.171 -8.970 2.139 1.00 0.00 H new ATOM 0 HH TYR A 61 3.021 -8.666 3.934 1.00 0.00 H new ATOM 934 N VAL A 62 -1.387 -1.537 0.592 1.00 0.00 N ATOM 935 CA VAL A 62 -2.200 -0.540 -0.096 1.00 0.00 C ATOM 936 C VAL A 62 -1.317 0.205 -1.088 1.00 0.00 C ATOM 937 O VAL A 62 -0.127 0.388 -0.836 1.00 0.00 O ATOM 938 CB VAL A 62 -2.914 0.377 0.915 1.00 0.00 C ATOM 939 CG1 VAL A 62 -3.711 -0.433 1.949 1.00 0.00 C ATOM 940 CG2 VAL A 62 -1.966 1.291 1.690 1.00 0.00 C ATOM 0 H VAL A 62 -0.592 -1.147 1.097 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.000 -1.017 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.575 0.990 0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.201 0.248 2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.464 -1.034 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.035 -1.088 2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.540 1.907 2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.252 0.685 2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.429 1.933 0.992 1.00 0.00 H new ATOM 950 N LEU A 63 -1.879 0.602 -2.226 1.00 0.00 N ATOM 951 CA LEU A 63 -1.198 1.413 -3.236 1.00 0.00 C ATOM 952 C LEU A 63 -1.670 2.849 -3.080 1.00 0.00 C ATOM 953 O LEU A 63 -2.880 3.071 -3.101 1.00 0.00 O ATOM 954 CB LEU A 63 -1.532 0.884 -4.636 1.00 0.00 C ATOM 955 CG LEU A 63 -0.925 1.702 -5.794 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.604 1.716 -5.759 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.388 1.103 -7.124 1.00 0.00 C ATOM 0 H LEU A 63 -2.839 0.366 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.117 1.363 -3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.183 -0.146 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.616 0.863 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.267 2.731 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.982 2.305 -6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.942 2.158 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.979 0.695 -5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.963 1.676 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.055 0.067 -7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.476 1.139 -7.180 1.00 0.00 H new ATOM 969 N ILE A 64 -0.749 3.801 -2.942 1.00 0.00 N ATOM 970 CA ILE A 64 -1.059 5.206 -2.686 1.00 0.00 C ATOM 971 C ILE A 64 -0.304 6.102 -3.669 1.00 0.00 C ATOM 972 O ILE A 64 0.830 5.798 -4.045 1.00 0.00 O ATOM 973 CB ILE A 64 -0.792 5.558 -1.206 1.00 0.00 C ATOM 974 CG1 ILE A 64 0.682 5.377 -0.791 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.715 4.739 -0.291 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.410 6.710 -0.661 1.00 0.00 C ATOM 0 H ILE A 64 0.252 3.614 -3.006 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.121 5.384 -2.856 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.012 6.620 -1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.728 4.846 0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.192 4.757 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.517 4.996 0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.755 4.963 -0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.529 3.676 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.444 6.532 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.389 7.231 -1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.918 7.321 0.095 1.00 0.00 H new ATOM 988 N THR A 65 -0.936 7.185 -4.126 1.00 0.00 N ATOM 989 CA THR A 65 -0.323 8.151 -5.034 1.00 0.00 C ATOM 990 C THR A 65 0.783 8.908 -4.305 1.00 0.00 C ATOM 991 O THR A 65 0.568 9.442 -3.225 1.00 0.00 O ATOM 992 CB THR A 65 -1.363 9.100 -5.674 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.509 9.285 -4.873 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.833 8.548 -7.016 1.00 0.00 C ATOM 0 H THR A 65 -1.897 7.416 -3.873 1.00 0.00 H new ATOM 0 HA THR A 65 0.123 7.607 -5.866 1.00 0.00 H new ATOM 0 HB THR A 65 -0.855 10.057 -5.790 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.106 9.933 -5.301 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.565 9.228 -7.453 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.981 8.451 -7.688 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.290 7.570 -6.867 1.00 0.00 H new ATOM 1002 N ASP A 66 1.965 9.013 -4.906 1.00 0.00 N ATOM 1003 CA ASP A 66 3.163 9.581 -4.264 1.00 0.00 C ATOM 1004 C ASP A 66 3.139 11.112 -4.170 1.00 0.00 C ATOM 1005 O ASP A 66 4.117 11.777 -3.828 1.00 0.00 O ATOM 1006 CB ASP A 66 4.388 9.138 -5.064 1.00 0.00 C ATOM 1007 CG ASP A 66 5.571 8.741 -4.184 1.00 0.00 C ATOM 1008 OD1 ASP A 66 5.776 9.261 -3.067 1.00 0.00 O ATOM 1009 OD2 ASP A 66 6.333 7.845 -4.612 1.00 0.00 O ATOM 0 H ASP A 66 2.127 8.704 -5.864 1.00 0.00 H new ATOM 0 HA ASP A 66 3.194 9.213 -3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.115 8.293 -5.696 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.693 9.947 -5.727 1.00 0.00 H new ATOM 1014 N THR A 67 2.010 11.676 -4.563 1.00 0.00 N ATOM 1015 CA THR A 67 1.739 13.086 -4.753 1.00 0.00 C ATOM 1016 C THR A 67 0.479 13.511 -3.985 1.00 0.00 C ATOM 1017 O THR A 67 0.064 14.664 -4.090 1.00 0.00 O ATOM 1018 CB THR A 67 1.672 13.307 -6.279 1.00 0.00 C ATOM 1019 OG1 THR A 67 1.577 14.671 -6.648 1.00 0.00 O ATOM 1020 CG2 THR A 67 0.528 12.541 -6.947 1.00 0.00 C ATOM 0 H THR A 67 1.190 11.107 -4.775 1.00 0.00 H new ATOM 0 HA THR A 67 2.520 13.725 -4.341 1.00 0.00 H new ATOM 0 HB THR A 67 2.623 12.913 -6.639 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.076 15.161 -5.963 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.535 12.738 -8.019 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.656 11.472 -6.774 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.423 12.866 -6.525 1.00 0.00 H new ATOM 1028 N GLU A 68 -0.166 12.594 -3.255 1.00 0.00 N ATOM 1029 CA GLU A 68 -1.528 12.774 -2.764 1.00 0.00 C ATOM 1030 C GLU A 68 -1.832 11.710 -1.716 1.00 0.00 C ATOM 1031 O GLU A 68 -2.120 12.022 -0.561 1.00 0.00 O ATOM 1032 CB GLU A 68 -2.461 12.631 -3.970 1.00 0.00 C ATOM 1033 CG GLU A 68 -3.951 12.570 -3.652 1.00 0.00 C ATOM 1034 CD GLU A 68 -4.691 12.344 -4.960 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -4.628 11.215 -5.486 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -5.330 13.299 -5.475 1.00 0.00 O ATOM 0 H GLU A 68 0.250 11.701 -2.989 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.661 13.750 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.286 13.471 -4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.187 11.726 -4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.160 11.763 -2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.280 13.496 -3.181 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.752 10.446 -2.126 1.00 0.00 N ATOM 1044 CA GLY A 69 -1.991 9.296 -1.293 1.00 0.00 C ATOM 1045 C GLY A 69 -3.383 8.696 -1.452 1.00 0.00 C ATOM 1046 O GLY A 69 -3.866 8.074 -0.507 1.00 0.00 O ATOM 0 H GLY A 69 -1.509 10.198 -3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.248 8.532 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.845 9.578 -0.250 1.00 0.00 H new ATOM 1050 N LYS A 70 -4.073 8.869 -2.586 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.299 8.133 -2.833 1.00 0.00 C ATOM 1052 C LYS A 70 -5.000 6.644 -2.832 1.00 0.00 C ATOM 1053 O LYS A 70 -4.107 6.195 -3.544 1.00 0.00 O ATOM 1054 CB LYS A 70 -5.946 8.538 -4.157 1.00 0.00 C ATOM 1055 CG LYS A 70 -7.051 9.589 -3.966 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.144 9.501 -5.036 1.00 0.00 C ATOM 1057 CE LYS A 70 -7.659 9.437 -6.494 1.00 0.00 C ATOM 1058 NZ LYS A 70 -6.863 10.618 -6.886 1.00 0.00 N ATOM 0 H LYS A 70 -3.800 9.507 -3.334 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.006 8.371 -2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.182 8.934 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.366 7.655 -4.639 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.501 9.462 -2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.607 10.584 -3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.749 8.617 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.799 10.366 -4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.059 8.538 -6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.521 9.350 -7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.764 10.642 -7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.343 11.483 -6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.921 10.562 -6.450 1.00 0.00 H new ATOM 1072 N ILE A 71 -5.782 5.911 -2.054 1.00 0.00 N ATOM 1073 CA ILE A 71 -5.851 4.468 -1.921 1.00 0.00 C ATOM 1074 C ILE A 71 -6.315 3.941 -3.275 1.00 0.00 C ATOM 1075 O ILE A 71 -7.513 3.814 -3.529 1.00 0.00 O ATOM 1076 CB ILE A 71 -6.812 4.129 -0.749 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.302 4.796 0.549 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -6.981 2.614 -0.522 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -7.226 4.615 1.749 1.00 0.00 C ATOM 0 H ILE A 71 -6.455 6.364 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.898 3.999 -1.676 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.793 4.519 -1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.322 4.386 0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.165 5.862 0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.664 2.445 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.386 2.154 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.012 2.170 -0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.795 5.112 2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.200 5.051 1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.344 3.552 1.961 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.381 3.704 -4.189 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.699 3.206 -5.516 1.00 0.00 C ATOM 1093 C LEU A 72 -6.177 1.764 -5.405 1.00 0.00 C ATOM 1094 O LEU A 72 -7.164 1.393 -6.034 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.484 3.303 -6.453 1.00 0.00 C ATOM 1096 CG LEU A 72 -3.979 4.732 -6.732 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -2.994 4.685 -7.903 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -5.110 5.720 -7.060 1.00 0.00 C ATOM 0 H LEU A 72 -4.385 3.852 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.490 3.821 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.667 2.724 -6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.740 2.834 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.499 5.092 -5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.628 5.690 -8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.154 4.039 -7.646 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.497 4.292 -8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.688 6.708 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.644 5.380 -7.948 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.802 5.774 -6.219 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.490 0.938 -4.615 1.00 0.00 N ATOM 1111 CA LYS A 73 -5.822 -0.472 -4.443 1.00 0.00 C ATOM 1112 C LYS A 73 -5.513 -0.890 -3.020 1.00 0.00 C ATOM 1113 O LYS A 73 -4.690 -0.250 -2.357 1.00 0.00 O ATOM 1114 CB LYS A 73 -5.011 -1.333 -5.424 1.00 0.00 C ATOM 1115 CG LYS A 73 -5.585 -1.252 -6.841 1.00 0.00 C ATOM 1116 CD LYS A 73 -4.808 -2.125 -7.824 1.00 0.00 C ATOM 1117 CE LYS A 73 -3.561 -1.429 -8.383 1.00 0.00 C ATOM 1118 NZ LYS A 73 -3.927 -0.443 -9.424 1.00 0.00 N ATOM 0 H LYS A 73 -4.679 1.235 -4.072 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.883 -0.616 -4.645 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.973 -1.001 -5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.012 -2.370 -5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.630 -1.563 -6.827 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.565 -0.217 -7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.510 -3.048 -7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.462 -2.405 -8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.026 -0.929 -7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.883 -2.172 -8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.243 0.340 -9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.916 -0.903 -10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.880 -0.073 -9.232 1.00 0.00 H new ATOM 1132 N VAL A 74 -6.104 -2.002 -2.604 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.771 -2.723 -1.394 1.00 0.00 C ATOM 1134 C VAL A 74 -5.728 -4.204 -1.755 1.00 0.00 C ATOM 1135 O VAL A 74 -6.612 -4.703 -2.459 1.00 0.00 O ATOM 1136 CB VAL A 74 -6.804 -2.455 -0.280 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -6.369 -3.202 0.993 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -6.986 -0.955 0.008 1.00 0.00 C ATOM 0 H VAL A 74 -6.861 -2.441 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.807 -2.392 -1.006 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.773 -2.822 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.093 -3.019 1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.318 -4.271 0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.388 -2.845 1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.724 -0.823 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.035 -0.527 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.329 -0.450 -0.895 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.728 -4.901 -1.227 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.777 -6.342 -1.052 1.00 0.00 C ATOM 1150 C TYR A 75 -4.450 -6.646 0.413 1.00 0.00 C ATOM 1151 O TYR A 75 -3.608 -5.965 1.009 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.827 -7.044 -2.022 1.00 0.00 C ATOM 1153 CG TYR A 75 -4.244 -6.929 -3.478 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -3.799 -5.852 -4.267 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -5.119 -7.877 -4.034 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -4.248 -5.706 -5.594 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -5.562 -7.745 -5.358 1.00 0.00 C ATOM 1158 CZ TYR A 75 -5.150 -6.648 -6.143 1.00 0.00 C ATOM 1159 OH TYR A 75 -5.618 -6.529 -7.418 1.00 0.00 O ATOM 0 H TYR A 75 -3.857 -4.477 -0.908 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.771 -6.725 -1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.828 -6.624 -1.905 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.763 -8.099 -1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.109 -5.133 -3.852 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.453 -8.713 -3.438 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.904 -4.875 -6.192 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.223 -8.488 -5.779 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.226 -7.272 -7.614 1.00 0.00 H new ATOM 1169 N ASP A 76 -5.116 -7.642 1.002 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.826 -8.089 2.370 1.00 0.00 C ATOM 1171 C ASP A 76 -3.368 -8.556 2.465 1.00 0.00 C ATOM 1172 O ASP A 76 -2.807 -9.043 1.480 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.781 -9.216 2.799 1.00 0.00 C ATOM 1174 CG ASP A 76 -5.724 -9.451 4.315 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -4.698 -9.974 4.805 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -6.680 -9.052 5.017 1.00 0.00 O ATOM 0 H ASP A 76 -5.868 -8.160 0.548 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.978 -7.249 3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.800 -8.963 2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.519 -10.136 2.276 1.00 0.00 H new ATOM 1181 N GLY A 77 -2.750 -8.439 3.642 1.00 0.00 N ATOM 1182 CA GLY A 77 -1.418 -8.952 3.933 1.00 0.00 C ATOM 1183 C GLY A 77 -1.255 -10.442 3.639 1.00 0.00 C ATOM 1184 O GLY A 77 -0.129 -10.871 3.370 1.00 0.00 O ATOM 0 H GLY A 77 -3.179 -7.970 4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.688 -8.393 3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.190 -8.771 4.984 1.00 0.00 H new ATOM 1188 N GLU A 78 -2.342 -11.221 3.610 1.00 0.00 N ATOM 1189 CA GLU A 78 -2.321 -12.631 3.238 1.00 0.00 C ATOM 1190 C GLU A 78 -1.630 -12.873 1.883 1.00 0.00 C ATOM 1191 O GLU A 78 -0.995 -13.914 1.700 1.00 0.00 O ATOM 1192 CB GLU A 78 -3.741 -13.205 3.190 1.00 0.00 C ATOM 1193 CG GLU A 78 -4.418 -13.419 4.552 1.00 0.00 C ATOM 1194 CD GLU A 78 -5.278 -14.684 4.499 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -6.442 -14.633 4.046 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -4.716 -15.770 4.791 1.00 0.00 O ATOM 0 H GLU A 78 -3.273 -10.880 3.849 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.743 -13.142 4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.364 -12.536 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.710 -14.160 2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.665 -13.511 5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.035 -12.557 4.803 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.673 -11.911 0.951 1.00 0.00 N ATOM 1204 CA ILE A 79 -1.050 -12.021 -0.369 1.00 0.00 C ATOM 1205 C ILE A 79 0.487 -12.117 -0.293 1.00 0.00 C ATOM 1206 O ILE A 79 1.149 -12.327 -1.314 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.539 -10.832 -1.231 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -1.313 -11.084 -2.733 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.866 -9.513 -0.811 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -2.096 -10.130 -3.636 1.00 0.00 C ATOM 0 H ILE A 79 -2.150 -11.022 1.099 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.355 -12.955 -0.840 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.611 -10.743 -1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.250 -10.990 -2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.597 -12.110 -2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.234 -8.701 -1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.101 -9.301 0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.214 -9.602 -0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.889 -10.365 -4.680 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.163 -10.241 -3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.795 -9.103 -3.429 1.00 0.00 H new ATOM 1222 N PHE A 80 1.097 -11.910 0.879 1.00 0.00 N ATOM 1223 CA PHE A 80 2.526 -12.105 1.083 1.00 0.00 C ATOM 1224 C PHE A 80 2.880 -13.589 1.012 1.00 0.00 C ATOM 1225 O PHE A 80 3.809 -13.974 0.294 1.00 0.00 O ATOM 1226 CB PHE A 80 2.942 -11.526 2.443 1.00 0.00 C ATOM 1227 CG PHE A 80 4.436 -11.590 2.716 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.364 -11.143 1.756 1.00 0.00 C ATOM 1229 CD2 PHE A 80 4.909 -12.144 3.919 1.00 0.00 C ATOM 1230 CE1 PHE A 80 6.745 -11.236 2.002 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.288 -12.258 4.162 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.207 -11.803 3.202 1.00 0.00 C ATOM 0 H PHE A 80 0.604 -11.600 1.716 1.00 0.00 H new ATOM 0 HA PHE A 80 3.067 -11.584 0.293 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.618 -10.487 2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.416 -12.065 3.231 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.012 -10.726 0.824 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.205 -12.485 4.664 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.450 -10.872 1.269 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.641 -12.694 5.085 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.268 -11.889 3.386 1.00 0.00 H new ATOM 1242 N TYR A 81 2.151 -14.408 1.770 1.00 0.00 N ATOM 1243 CA TYR A 81 2.490 -15.805 2.011 1.00 0.00 C ATOM 1244 C TYR A 81 2.074 -16.704 0.843 1.00 0.00 C ATOM 1245 O TYR A 81 2.567 -17.827 0.744 1.00 0.00 O ATOM 1246 CB TYR A 81 1.853 -16.292 3.323 1.00 0.00 C ATOM 1247 CG TYR A 81 1.899 -15.268 4.444 1.00 0.00 C ATOM 1248 CD1 TYR A 81 0.841 -14.353 4.560 1.00 0.00 C ATOM 1249 CD2 TYR A 81 3.008 -15.167 5.306 1.00 0.00 C ATOM 1250 CE1 TYR A 81 0.921 -13.282 5.461 1.00 0.00 C ATOM 1251 CE2 TYR A 81 3.072 -14.128 6.255 1.00 0.00 C ATOM 1252 CZ TYR A 81 2.045 -13.156 6.301 1.00 0.00 C ATOM 1253 OH TYR A 81 2.112 -12.076 7.127 1.00 0.00 O ATOM 0 H TYR A 81 1.295 -14.112 2.240 1.00 0.00 H new ATOM 0 HA TYR A 81 3.575 -15.870 2.099 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.814 -16.563 3.133 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.364 -17.198 3.650 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.042 -14.475 3.950 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.810 -15.887 5.239 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.123 -12.556 5.511 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.901 -14.074 6.945 1.00 0.00 H new ATOM 0 HH TYR A 81 2.939 -12.116 7.651 1.00 0.00 H new ATOM 1263 N HIS A 82 1.200 -16.190 -0.027 1.00 0.00 N ATOM 1264 CA HIS A 82 0.667 -16.814 -1.225 1.00 0.00 C ATOM 1265 C HIS A 82 1.853 -17.233 -2.089 1.00 0.00 C ATOM 1266 O HIS A 82 2.757 -16.426 -2.338 1.00 0.00 O ATOM 1267 CB HIS A 82 -0.258 -15.790 -1.900 1.00 0.00 C ATOM 1268 CG HIS A 82 -0.985 -16.269 -3.129 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -2.251 -16.804 -3.145 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -0.590 -16.101 -4.430 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -2.613 -16.946 -4.431 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -1.642 -16.508 -5.254 1.00 0.00 N ATOM 0 H HIS A 82 0.822 -15.252 0.106 1.00 0.00 H new ATOM 0 HA HIS A 82 0.077 -17.709 -1.028 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -0.997 -15.460 -1.170 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.335 -14.916 -2.170 1.00 0.00 H new ATOM 0 HD2 HIS A 82 0.366 -15.721 -4.760 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.556 -17.356 -4.760 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -1.669 -16.479 -6.273 1.00 0.00 H new ATOM 1280 N ARG A 83 1.926 -18.507 -2.461 1.00 0.00 N ATOM 1281 CA ARG A 83 3.154 -19.111 -2.944 1.00 0.00 C ATOM 1282 C ARG A 83 2.872 -20.222 -3.915 1.00 0.00 C ATOM 1283 O ARG A 83 1.817 -20.881 -3.807 1.00 0.00 O ATOM 1284 CB ARG A 83 3.932 -19.677 -1.744 1.00 0.00 C ATOM 1285 CG ARG A 83 5.196 -18.880 -1.436 1.00 0.00 C ATOM 1286 CD ARG A 83 6.433 -19.322 -2.237 1.00 0.00 C ATOM 1287 NE ARG A 83 6.302 -19.085 -3.686 1.00 0.00 N ATOM 1288 CZ ARG A 83 7.212 -18.512 -4.485 1.00 0.00 C ATOM 1289 NH1 ARG A 83 8.416 -18.169 -4.041 1.00 0.00 N ATOM 1290 NH2 ARG A 83 6.934 -18.286 -5.761 1.00 0.00 N ATOM 0 H ARG A 83 1.132 -19.147 -2.434 1.00 0.00 H new ATOM 0 HA ARG A 83 3.737 -18.348 -3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.286 -19.681 -0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.201 -20.714 -1.946 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.005 -17.826 -1.637 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.416 -18.967 -0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.308 -18.788 -1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.610 -20.383 -2.064 1.00 0.00 H new ATOM 0 HE ARG A 83 5.432 -19.387 -4.124 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.669 -18.340 -3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.088 -17.734 -4.673 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.024 -18.549 -6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.630 -17.849 -6.365 1.00 0.00 H new