USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 498 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 Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0694 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -3.72 X(o=-3.7,f=-4!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.245 K(o=-0.25,f=-0.96) USER MOD Single : A 60 ASN : amide:sc= -0.0915 K(o=-0.091,f=-1.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.4) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -159:sc= -0.0887 (180deg=-0.557) USER MOD Single : B 78 SER OG : rot 180:sc= -0.0117 USER MOD Single : B 82 SER OG : rot 180:sc= 0.0987 USER MOD Single : B 83 THR OG1 : rot 54:sc= -0.146! USER MOD Single : B 84 LYS NZ :NH3+ -160:sc= 0.127 (180deg=0.05) USER MOD ----------------------------------------------------------------- ATOM 50 N ARG A 19 -8.255 -5.389 3.057 1.00 0.00 N ATOM 51 CA ARG A 19 -7.510 -5.441 1.802 1.00 0.00 C ATOM 52 C ARG A 19 -7.593 -4.109 1.063 1.00 0.00 C ATOM 53 O ARG A 19 -7.934 -4.062 -0.120 1.00 0.00 O ATOM 54 CB ARG A 19 -8.045 -6.568 0.910 1.00 0.00 C ATOM 55 CG ARG A 19 -9.259 -7.285 1.482 1.00 0.00 C ATOM 56 CD ARG A 19 -9.111 -8.796 1.392 1.00 0.00 C ATOM 57 NE ARG A 19 -10.400 -9.478 1.493 1.00 0.00 N ATOM 58 CZ ARG A 19 -10.573 -10.771 1.236 1.00 0.00 C ATOM 59 NH1 ARG A 19 -9.544 -11.522 0.863 1.00 0.00 N ATOM 60 NH2 ARG A 19 -11.777 -11.316 1.352 1.00 0.00 N ATOM 0 HA ARG A 19 -6.465 -5.640 2.039 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.306 -6.154 -0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.250 -7.295 0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.397 -6.994 2.523 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.154 -6.974 0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.635 -9.058 0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.453 -9.144 2.188 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.213 -8.931 1.777 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.616 -11.108 0.773 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.681 -12.514 0.667 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.571 -10.743 1.638 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.909 -12.308 1.155 1.00 0.00 H new ATOM 74 N TRP A 20 -7.288 -3.027 1.772 1.00 0.00 N ATOM 75 CA TRP A 20 -7.332 -1.688 1.205 1.00 0.00 C ATOM 76 C TRP A 20 -6.188 -0.847 1.754 1.00 0.00 C ATOM 77 O TRP A 20 -5.648 -1.147 2.815 1.00 0.00 O ATOM 78 CB TRP A 20 -8.683 -1.039 1.512 1.00 0.00 C ATOM 79 CG TRP A 20 -9.807 -1.746 0.830 1.00 0.00 C ATOM 80 CD1 TRP A 20 -10.473 -2.847 1.280 1.00 0.00 C ATOM 81 CD2 TRP A 20 -10.379 -1.414 -0.437 1.00 0.00 C ATOM 82 NE1 TRP A 20 -11.422 -3.230 0.361 1.00 0.00 N ATOM 83 CE2 TRP A 20 -11.384 -2.361 -0.703 1.00 0.00 C ATOM 84 CE3 TRP A 20 -10.136 -0.408 -1.376 1.00 0.00 C ATOM 85 CZ2 TRP A 20 -12.144 -2.329 -1.869 1.00 0.00 C ATOM 86 CZ3 TRP A 20 -10.892 -0.376 -2.531 1.00 0.00 C ATOM 87 CH2 TRP A 20 -11.884 -1.333 -2.769 1.00 0.00 C ATOM 0 H TRP A 20 -7.005 -3.055 2.751 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.217 -1.752 0.123 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -8.852 -1.043 2.589 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.665 0.004 1.196 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.283 -3.345 2.219 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -12.051 -4.028 0.454 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -9.369 0.332 -1.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -12.912 -3.065 -2.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -10.715 0.399 -3.261 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -12.457 -1.284 -3.683 1.00 0.00 H new ATOM 98 N ALA A 21 -5.800 0.190 1.024 1.00 0.00 N ATOM 99 CA ALA A 21 -4.717 1.045 1.459 1.00 0.00 C ATOM 100 C ALA A 21 -5.138 2.505 1.405 1.00 0.00 C ATOM 101 O ALA A 21 -5.193 3.104 0.332 1.00 0.00 O ATOM 102 CB ALA A 21 -3.491 0.823 0.590 1.00 0.00 C ATOM 0 H ALA A 21 -6.220 0.454 0.133 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.469 0.792 2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.683 1.472 0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.175 -0.218 0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.733 1.055 -0.447 1.00 0.00 H new ATOM 108 N ARG A 22 -5.410 3.082 2.568 1.00 0.00 N ATOM 109 CA ARG A 22 -5.794 4.480 2.633 1.00 0.00 C ATOM 110 C ARG A 22 -4.629 5.289 3.170 1.00 0.00 C ATOM 111 O ARG A 22 -4.260 5.181 4.341 1.00 0.00 O ATOM 112 CB ARG A 22 -7.047 4.669 3.497 1.00 0.00 C ATOM 113 CG ARG A 22 -7.212 6.076 4.056 1.00 0.00 C ATOM 114 CD ARG A 22 -7.958 6.064 5.379 1.00 0.00 C ATOM 115 NE ARG A 22 -8.590 7.350 5.666 1.00 0.00 N ATOM 116 CZ ARG A 22 -9.893 7.579 5.530 1.00 0.00 C ATOM 117 NH1 ARG A 22 -10.701 6.614 5.111 1.00 0.00 N ATOM 118 NH2 ARG A 22 -10.391 8.775 5.816 1.00 0.00 N ATOM 0 H ARG A 22 -5.372 2.607 3.470 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.042 4.832 1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.926 4.421 2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.013 3.962 4.326 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.231 6.531 4.194 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.752 6.693 3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.719 5.283 5.359 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.266 5.814 6.183 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.998 8.115 5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.324 5.692 4.892 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.700 6.794 5.008 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.774 9.520 6.140 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.390 8.950 5.711 1.00 0.00 H new ATOM 132 N ALA A 23 -4.039 6.073 2.284 1.00 0.00 N ATOM 133 CA ALA A 23 -2.886 6.888 2.626 1.00 0.00 C ATOM 134 C ALA A 23 -3.252 8.086 3.489 1.00 0.00 C ATOM 135 O ALA A 23 -4.019 8.953 3.075 1.00 0.00 O ATOM 136 CB ALA A 23 -2.184 7.354 1.359 1.00 0.00 C ATOM 0 H ALA A 23 -4.343 6.162 1.314 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.214 6.263 3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.321 7.964 1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.853 6.487 0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.874 7.945 0.757 1.00 0.00 H new ATOM 142 N LEU A 24 -2.661 8.144 4.677 1.00 0.00 N ATOM 143 CA LEU A 24 -2.876 9.257 5.591 1.00 0.00 C ATOM 144 C LEU A 24 -1.721 10.233 5.429 1.00 0.00 C ATOM 145 O LEU A 24 -1.776 11.384 5.861 1.00 0.00 O ATOM 146 CB LEU A 24 -2.961 8.766 7.037 1.00 0.00 C ATOM 147 CG LEU A 24 -3.730 7.458 7.232 1.00 0.00 C ATOM 148 CD1 LEU A 24 -3.353 6.810 8.556 1.00 0.00 C ATOM 149 CD2 LEU A 24 -5.229 7.708 7.166 1.00 0.00 C ATOM 0 H LEU A 24 -2.026 7.428 5.030 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.820 9.749 5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.949 8.636 7.421 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.433 9.541 7.641 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.459 6.775 6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.910 5.881 8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.284 6.597 8.565 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.595 7.488 9.375 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.761 6.767 7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.516 8.408 7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.485 8.128 6.193 1.00 0.00 H new ATOM 161 N TYR A 25 -0.677 9.733 4.772 1.00 0.00 N ATOM 162 CA TYR A 25 0.529 10.496 4.487 1.00 0.00 C ATOM 163 C TYR A 25 0.997 10.172 3.073 1.00 0.00 C ATOM 164 O TYR A 25 0.384 9.349 2.392 1.00 0.00 O ATOM 165 CB TYR A 25 1.647 10.165 5.484 1.00 0.00 C ATOM 166 CG TYR A 25 1.179 9.929 6.904 1.00 0.00 C ATOM 167 CD1 TYR A 25 0.642 8.706 7.287 1.00 0.00 C ATOM 168 CD2 TYR A 25 1.288 10.927 7.865 1.00 0.00 C ATOM 169 CE1 TYR A 25 0.223 8.486 8.586 1.00 0.00 C ATOM 170 CE2 TYR A 25 0.873 10.713 9.166 1.00 0.00 C ATOM 171 CZ TYR A 25 0.342 9.492 9.521 1.00 0.00 C ATOM 172 OH TYR A 25 -0.072 9.276 10.816 1.00 0.00 O ATOM 0 H TYR A 25 -0.647 8.776 4.420 1.00 0.00 H new ATOM 0 HA TYR A 25 0.298 11.557 4.578 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.173 9.276 5.137 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.368 10.982 5.485 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.550 7.914 6.558 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.704 11.885 7.591 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.195 7.531 8.867 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.964 11.499 9.901 1.00 0.00 H new ATOM 0 HH TYR A 25 0.082 10.085 11.348 1.00 0.00 H new ATOM 182 N ASP A 26 2.075 10.814 2.632 1.00 0.00 N ATOM 183 CA ASP A 26 2.615 10.576 1.294 1.00 0.00 C ATOM 184 C ASP A 26 2.897 9.087 1.064 1.00 0.00 C ATOM 185 O ASP A 26 2.529 8.238 1.875 1.00 0.00 O ATOM 186 CB ASP A 26 3.897 11.386 1.088 1.00 0.00 C ATOM 187 CG ASP A 26 3.781 12.368 -0.060 1.00 0.00 C ATOM 188 OD1 ASP A 26 3.729 11.917 -1.224 1.00 0.00 O ATOM 189 OD2 ASP A 26 3.744 13.588 0.205 1.00 0.00 O ATOM 0 H ASP A 26 2.592 11.502 3.179 1.00 0.00 H new ATOM 0 HA ASP A 26 1.866 10.897 0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.132 11.928 2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.727 10.706 0.898 1.00 0.00 H new ATOM 194 N PHE A 27 3.542 8.774 -0.055 1.00 0.00 N ATOM 195 CA PHE A 27 3.852 7.387 -0.400 1.00 0.00 C ATOM 196 C PHE A 27 5.316 7.040 -0.121 1.00 0.00 C ATOM 197 O PHE A 27 6.204 7.884 -0.250 1.00 0.00 O ATOM 198 CB PHE A 27 3.536 7.133 -1.871 1.00 0.00 C ATOM 199 CG PHE A 27 4.546 7.720 -2.814 1.00 0.00 C ATOM 200 CD1 PHE A 27 4.463 9.047 -3.204 1.00 0.00 C ATOM 201 CD2 PHE A 27 5.575 6.940 -3.313 1.00 0.00 C ATOM 202 CE1 PHE A 27 5.390 9.587 -4.074 1.00 0.00 C ATOM 203 CE2 PHE A 27 6.507 7.474 -4.184 1.00 0.00 C ATOM 204 CZ PHE A 27 6.413 8.799 -4.566 1.00 0.00 C ATOM 0 H PHE A 27 3.861 9.460 -0.739 1.00 0.00 H new ATOM 0 HA PHE A 27 3.233 6.747 0.229 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.475 6.058 -2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.554 7.548 -2.100 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.664 9.666 -2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.651 5.904 -3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.315 10.623 -4.369 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.307 6.857 -4.565 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.138 9.218 -5.248 1.00 0.00 H new ATOM 214 N GLU A 28 5.552 5.785 0.263 1.00 0.00 N ATOM 215 CA GLU A 28 6.901 5.311 0.565 1.00 0.00 C ATOM 216 C GLU A 28 7.473 4.478 -0.575 1.00 0.00 C ATOM 217 O GLU A 28 8.492 3.809 -0.404 1.00 0.00 O ATOM 218 CB GLU A 28 6.900 4.462 1.833 1.00 0.00 C ATOM 219 CG GLU A 28 6.210 5.123 3.009 1.00 0.00 C ATOM 220 CD GLU A 28 7.145 5.349 4.183 1.00 0.00 C ATOM 221 OE1 GLU A 28 7.303 4.421 5.004 1.00 0.00 O ATOM 222 OE2 GLU A 28 7.718 6.454 4.279 1.00 0.00 O ATOM 0 H GLU A 28 4.825 5.078 0.372 1.00 0.00 H new ATOM 0 HA GLU A 28 7.523 6.195 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.409 3.512 1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.930 4.235 2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.794 6.079 2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.373 4.503 3.330 1.00 0.00 H new ATOM 229 N ALA A 29 6.823 4.506 -1.731 1.00 0.00 N ATOM 230 CA ALA A 29 7.302 3.730 -2.866 1.00 0.00 C ATOM 231 C ALA A 29 8.600 4.315 -3.408 1.00 0.00 C ATOM 232 O ALA A 29 8.596 5.321 -4.116 1.00 0.00 O ATOM 233 CB ALA A 29 6.245 3.669 -3.959 1.00 0.00 C ATOM 0 H ALA A 29 5.977 5.048 -1.906 1.00 0.00 H new ATOM 0 HA ALA A 29 7.501 2.714 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.623 3.085 -4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.343 3.200 -3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.011 4.679 -4.296 1.00 0.00 H new ATOM 239 N LEU A 30 9.712 3.669 -3.071 1.00 0.00 N ATOM 240 CA LEU A 30 11.024 4.114 -3.520 1.00 0.00 C ATOM 241 C LEU A 30 11.479 3.293 -4.718 1.00 0.00 C ATOM 242 O LEU A 30 12.434 3.653 -5.406 1.00 0.00 O ATOM 243 CB LEU A 30 12.048 3.995 -2.388 1.00 0.00 C ATOM 244 CG LEU A 30 11.504 4.271 -0.984 1.00 0.00 C ATOM 245 CD1 LEU A 30 12.491 3.805 0.075 1.00 0.00 C ATOM 246 CD2 LEU A 30 11.196 5.751 -0.813 1.00 0.00 C ATOM 0 H LEU A 30 9.729 2.833 -2.487 1.00 0.00 H new ATOM 0 HA LEU A 30 10.948 5.160 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.470 2.990 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.866 4.688 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 30 10.578 3.710 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.086 4.010 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.661 2.734 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.435 4.337 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.810 5.929 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.107 6.332 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.450 6.055 -1.547 1.00 0.00 H new ATOM 258 N GLU A 31 10.785 2.188 -4.959 1.00 0.00 N ATOM 259 CA GLU A 31 11.113 1.311 -6.077 1.00 0.00 C ATOM 260 C GLU A 31 10.145 1.520 -7.236 1.00 0.00 C ATOM 261 O GLU A 31 9.146 2.226 -7.102 1.00 0.00 O ATOM 262 CB GLU A 31 11.091 -0.153 -5.635 1.00 0.00 C ATOM 263 CG GLU A 31 12.265 -0.961 -6.161 1.00 0.00 C ATOM 264 CD GLU A 31 12.110 -2.448 -5.906 1.00 0.00 C ATOM 265 OE1 GLU A 31 11.026 -2.991 -6.201 1.00 0.00 O ATOM 266 OE2 GLU A 31 13.076 -3.069 -5.415 1.00 0.00 O ATOM 0 H GLU A 31 9.993 1.878 -4.397 1.00 0.00 H new ATOM 0 HA GLU A 31 12.118 1.562 -6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.089 -0.196 -4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.163 -0.613 -5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.369 -0.789 -7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.183 -0.609 -5.691 1.00 0.00 H new ATOM 273 N GLU A 32 10.446 0.899 -8.373 1.00 0.00 N ATOM 274 CA GLU A 32 9.598 1.016 -9.554 1.00 0.00 C ATOM 275 C GLU A 32 8.540 -0.082 -9.568 1.00 0.00 C ATOM 276 O GLU A 32 7.489 0.062 -10.194 1.00 0.00 O ATOM 277 CB GLU A 32 10.434 0.953 -10.839 1.00 0.00 C ATOM 278 CG GLU A 32 11.681 0.095 -10.730 1.00 0.00 C ATOM 279 CD GLU A 32 12.639 0.307 -11.887 1.00 0.00 C ATOM 280 OE1 GLU A 32 12.202 0.832 -12.932 1.00 0.00 O ATOM 281 OE2 GLU A 32 13.826 -0.052 -11.747 1.00 0.00 O ATOM 0 H GLU A 32 11.269 0.311 -8.501 1.00 0.00 H new ATOM 0 HA GLU A 32 9.100 1.985 -9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.811 0.567 -11.646 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.727 1.965 -11.118 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.192 0.321 -9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.392 -0.955 -10.690 1.00 0.00 H new ATOM 288 N ASP A 33 8.824 -1.178 -8.871 1.00 0.00 N ATOM 289 CA ASP A 33 7.898 -2.302 -8.797 1.00 0.00 C ATOM 290 C ASP A 33 6.826 -2.053 -7.743 1.00 0.00 C ATOM 291 O ASP A 33 6.029 -2.937 -7.433 1.00 0.00 O ATOM 292 CB ASP A 33 8.654 -3.589 -8.464 1.00 0.00 C ATOM 293 CG ASP A 33 8.638 -4.583 -9.607 1.00 0.00 C ATOM 294 OD1 ASP A 33 9.507 -4.479 -10.497 1.00 0.00 O ATOM 295 OD2 ASP A 33 7.755 -5.468 -9.613 1.00 0.00 O ATOM 0 H ASP A 33 9.690 -1.311 -8.349 1.00 0.00 H new ATOM 0 HA ASP A 33 7.416 -2.407 -9.769 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.686 -3.346 -8.213 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.211 -4.049 -7.581 1.00 0.00 H new ATOM 300 N GLU A 34 6.819 -0.844 -7.191 1.00 0.00 N ATOM 301 CA GLU A 34 5.853 -0.479 -6.166 1.00 0.00 C ATOM 302 C GLU A 34 4.838 0.528 -6.698 1.00 0.00 C ATOM 303 O GLU A 34 4.773 0.786 -7.900 1.00 0.00 O ATOM 304 CB GLU A 34 6.576 0.093 -4.945 1.00 0.00 C ATOM 305 CG GLU A 34 7.454 -0.922 -4.229 1.00 0.00 C ATOM 306 CD GLU A 34 8.577 -0.276 -3.441 1.00 0.00 C ATOM 307 OE1 GLU A 34 8.533 0.955 -3.241 1.00 0.00 O ATOM 308 OE2 GLU A 34 9.503 -1.004 -3.023 1.00 0.00 O ATOM 0 H GLU A 34 7.473 -0.101 -7.438 1.00 0.00 H new ATOM 0 HA GLU A 34 5.312 -1.379 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.191 0.936 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.837 0.481 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.838 -1.516 -3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.879 -1.609 -4.961 1.00 0.00 H new ATOM 315 N LEU A 35 4.047 1.091 -5.790 1.00 0.00 N ATOM 316 CA LEU A 35 3.028 2.070 -6.149 1.00 0.00 C ATOM 317 C LEU A 35 3.038 3.234 -5.164 1.00 0.00 C ATOM 318 O LEU A 35 3.205 3.035 -3.960 1.00 0.00 O ATOM 319 CB LEU A 35 1.649 1.408 -6.173 1.00 0.00 C ATOM 320 CG LEU A 35 0.460 2.369 -6.108 1.00 0.00 C ATOM 321 CD1 LEU A 35 0.152 2.933 -7.485 1.00 0.00 C ATOM 322 CD2 LEU A 35 -0.760 1.666 -5.529 1.00 0.00 C ATOM 0 H LEU A 35 4.094 0.883 -4.792 1.00 0.00 H new ATOM 0 HA LEU A 35 3.250 2.457 -7.144 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.565 0.814 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.582 0.716 -5.333 1.00 0.00 H new ATOM 0 HG LEU A 35 0.722 3.199 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.696 3.614 -7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.022 3.473 -7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.090 2.117 -8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.597 2.363 -5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.024 0.817 -6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.533 1.314 -4.523 1.00 0.00 H new ATOM 334 N GLY A 36 2.870 4.446 -5.681 1.00 0.00 N ATOM 335 CA GLY A 36 2.875 5.618 -4.828 1.00 0.00 C ATOM 336 C GLY A 36 1.555 6.360 -4.813 1.00 0.00 C ATOM 337 O GLY A 36 0.990 6.669 -5.863 1.00 0.00 O ATOM 0 H GLY A 36 2.731 4.637 -6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.125 5.316 -3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.660 6.297 -5.161 1.00 0.00 H new ATOM 341 N PHE A 37 1.071 6.659 -3.609 1.00 0.00 N ATOM 342 CA PHE A 37 -0.181 7.384 -3.434 1.00 0.00 C ATOM 343 C PHE A 37 0.064 8.724 -2.755 1.00 0.00 C ATOM 344 O PHE A 37 1.207 9.098 -2.489 1.00 0.00 O ATOM 345 CB PHE A 37 -1.165 6.577 -2.584 1.00 0.00 C ATOM 346 CG PHE A 37 -0.517 5.554 -1.698 1.00 0.00 C ATOM 347 CD1 PHE A 37 0.343 5.942 -0.683 1.00 0.00 C ATOM 348 CD2 PHE A 37 -0.776 4.205 -1.874 1.00 0.00 C ATOM 349 CE1 PHE A 37 0.932 5.003 0.141 1.00 0.00 C ATOM 350 CE2 PHE A 37 -0.189 3.261 -1.055 1.00 0.00 C ATOM 351 CZ PHE A 37 0.666 3.661 -0.046 1.00 0.00 C ATOM 0 H PHE A 37 1.533 6.407 -2.735 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.605 7.546 -4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.742 7.264 -1.965 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.871 6.074 -3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.555 6.991 -0.535 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.445 3.888 -2.661 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.599 5.318 0.930 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.398 2.212 -1.203 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.126 2.924 0.596 1.00 0.00 H new ATOM 361 N ARG A 38 -1.019 9.430 -2.458 1.00 0.00 N ATOM 362 CA ARG A 38 -0.927 10.719 -1.785 1.00 0.00 C ATOM 363 C ARG A 38 -1.861 10.763 -0.580 1.00 0.00 C ATOM 364 O ARG A 38 -2.742 9.914 -0.436 1.00 0.00 O ATOM 365 CB ARG A 38 -1.257 11.862 -2.744 1.00 0.00 C ATOM 366 CG ARG A 38 -0.494 11.798 -4.058 1.00 0.00 C ATOM 367 CD ARG A 38 -0.290 13.185 -4.647 1.00 0.00 C ATOM 368 NE ARG A 38 -1.342 13.535 -5.597 1.00 0.00 N ATOM 369 CZ ARG A 38 -1.124 13.772 -6.887 1.00 0.00 C ATOM 370 NH1 ARG A 38 0.105 13.692 -7.380 1.00 0.00 N ATOM 371 NH2 ARG A 38 -2.136 14.087 -7.684 1.00 0.00 N ATOM 0 H ARG A 38 -1.971 9.132 -2.672 1.00 0.00 H new ATOM 0 HA ARG A 38 0.100 10.843 -1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.326 11.851 -2.954 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.039 12.811 -2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.474 11.323 -3.896 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.039 11.176 -4.768 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.268 13.921 -3.843 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.678 13.228 -5.146 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.299 13.602 -5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.885 13.448 -6.769 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.270 13.874 -8.370 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.082 14.148 -7.307 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.968 14.269 -8.674 1.00 0.00 H new ATOM 385 N SER A 39 -1.658 11.753 0.283 1.00 0.00 N ATOM 386 CA SER A 39 -2.473 11.915 1.483 1.00 0.00 C ATOM 387 C SER A 39 -3.966 11.835 1.163 1.00 0.00 C ATOM 388 O SER A 39 -4.419 12.321 0.125 1.00 0.00 O ATOM 389 CB SER A 39 -2.156 13.252 2.158 1.00 0.00 C ATOM 390 OG SER A 39 -3.341 13.931 2.535 1.00 0.00 O ATOM 0 H SER A 39 -0.931 12.460 0.173 1.00 0.00 H new ATOM 0 HA SER A 39 -2.230 11.098 2.162 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.537 13.080 3.039 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.577 13.877 1.478 1.00 0.00 H new ATOM 0 HG SER A 39 -3.109 14.780 2.965 1.00 0.00 H new ATOM 396 N GLY A 40 -4.719 11.224 2.072 1.00 0.00 N ATOM 397 CA GLY A 40 -6.156 11.086 1.898 1.00 0.00 C ATOM 398 C GLY A 40 -6.545 10.393 0.605 1.00 0.00 C ATOM 399 O GLY A 40 -7.219 10.983 -0.240 1.00 0.00 O ATOM 0 H GLY A 40 -4.356 10.818 2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.564 10.525 2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.614 12.075 1.923 1.00 0.00 H new ATOM 403 N GLU A 41 -6.131 9.137 0.450 1.00 0.00 N ATOM 404 CA GLU A 41 -6.458 8.373 -0.751 1.00 0.00 C ATOM 405 C GLU A 41 -6.872 6.948 -0.404 1.00 0.00 C ATOM 406 O GLU A 41 -6.590 6.460 0.688 1.00 0.00 O ATOM 407 CB GLU A 41 -5.265 8.352 -1.707 1.00 0.00 C ATOM 408 CG GLU A 41 -5.151 9.606 -2.556 1.00 0.00 C ATOM 409 CD GLU A 41 -4.978 9.295 -4.031 1.00 0.00 C ATOM 410 OE1 GLU A 41 -5.916 8.730 -4.631 1.00 0.00 O ATOM 411 OE2 GLU A 41 -3.906 9.618 -4.584 1.00 0.00 O ATOM 0 H GLU A 41 -5.572 8.630 1.136 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.300 8.863 -1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.349 8.228 -1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.349 7.485 -2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.044 10.216 -2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.304 10.199 -2.211 1.00 0.00 H new ATOM 418 N VAL A 42 -7.542 6.285 -1.345 1.00 0.00 N ATOM 419 CA VAL A 42 -7.997 4.913 -1.144 1.00 0.00 C ATOM 420 C VAL A 42 -7.428 3.989 -2.216 1.00 0.00 C ATOM 421 O VAL A 42 -7.421 4.325 -3.399 1.00 0.00 O ATOM 422 CB VAL A 42 -9.533 4.813 -1.167 1.00 0.00 C ATOM 423 CG1 VAL A 42 -9.988 3.447 -0.675 1.00 0.00 C ATOM 424 CG2 VAL A 42 -10.156 5.921 -0.331 1.00 0.00 C ATOM 0 H VAL A 42 -7.781 6.678 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.638 4.604 -0.162 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.869 4.934 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.077 3.396 -0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.574 2.672 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.640 3.294 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.242 5.832 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.813 5.836 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.860 6.890 -0.733 1.00 0.00 H new ATOM 434 N VAL A 43 -6.949 2.825 -1.789 1.00 0.00 N ATOM 435 CA VAL A 43 -6.372 1.851 -2.709 1.00 0.00 C ATOM 436 C VAL A 43 -6.954 0.459 -2.481 1.00 0.00 C ATOM 437 O VAL A 43 -7.173 0.047 -1.345 1.00 0.00 O ATOM 438 CB VAL A 43 -4.839 1.782 -2.551 1.00 0.00 C ATOM 439 CG1 VAL A 43 -4.239 0.776 -3.521 1.00 0.00 C ATOM 440 CG2 VAL A 43 -4.217 3.156 -2.747 1.00 0.00 C ATOM 0 H VAL A 43 -6.949 2.533 -0.812 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.620 2.182 -3.718 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.617 1.448 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.157 0.745 -3.391 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.656 -0.212 -3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.473 1.072 -4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.135 3.086 -2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.452 3.523 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.617 3.846 -2.004 1.00 0.00 H new ATOM 450 N GLU A 44 -7.184 -0.272 -3.567 1.00 0.00 N ATOM 451 CA GLU A 44 -7.714 -1.627 -3.473 1.00 0.00 C ATOM 452 C GLU A 44 -6.563 -2.628 -3.458 1.00 0.00 C ATOM 453 O GLU A 44 -5.852 -2.783 -4.452 1.00 0.00 O ATOM 454 CB GLU A 44 -8.658 -1.921 -4.643 1.00 0.00 C ATOM 455 CG GLU A 44 -9.299 -3.297 -4.577 1.00 0.00 C ATOM 456 CD GLU A 44 -9.661 -3.836 -5.948 1.00 0.00 C ATOM 457 OE1 GLU A 44 -8.735 -4.185 -6.711 1.00 0.00 O ATOM 458 OE2 GLU A 44 -10.868 -3.906 -6.259 1.00 0.00 O ATOM 0 H GLU A 44 -7.012 0.050 -4.519 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.282 -1.719 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.443 -1.165 -4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.104 -1.832 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.615 -3.990 -4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.197 -3.247 -3.961 1.00 0.00 H new ATOM 465 N VAL A 45 -6.370 -3.293 -2.323 1.00 0.00 N ATOM 466 CA VAL A 45 -5.289 -4.261 -2.184 1.00 0.00 C ATOM 467 C VAL A 45 -5.657 -5.596 -2.816 1.00 0.00 C ATOM 468 O VAL A 45 -6.719 -6.154 -2.543 1.00 0.00 O ATOM 469 CB VAL A 45 -4.920 -4.489 -0.705 1.00 0.00 C ATOM 470 CG1 VAL A 45 -3.794 -5.505 -0.579 1.00 0.00 C ATOM 471 CG2 VAL A 45 -4.534 -3.174 -0.046 1.00 0.00 C ATOM 0 H VAL A 45 -6.946 -3.179 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.427 -3.843 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.794 -4.889 -0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.551 -5.650 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.110 -6.454 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.914 -5.140 -1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.276 -3.352 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.676 -2.746 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.373 -2.480 -0.099 1.00 0.00 H new ATOM 481 N LEU A 46 -4.768 -6.100 -3.665 1.00 0.00 N ATOM 482 CA LEU A 46 -4.990 -7.368 -4.345 1.00 0.00 C ATOM 483 C LEU A 46 -4.196 -8.488 -3.679 1.00 0.00 C ATOM 484 O LEU A 46 -4.418 -9.667 -3.955 1.00 0.00 O ATOM 485 CB LEU A 46 -4.597 -7.254 -5.820 1.00 0.00 C ATOM 486 CG LEU A 46 -5.770 -7.236 -6.802 1.00 0.00 C ATOM 487 CD1 LEU A 46 -5.289 -6.896 -8.205 1.00 0.00 C ATOM 488 CD2 LEU A 46 -6.491 -8.577 -6.797 1.00 0.00 C ATOM 0 H LEU A 46 -3.884 -5.647 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.051 -7.609 -4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.015 -6.343 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.944 -8.090 -6.072 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.472 -6.465 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.138 -6.888 -8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.818 -5.913 -8.200 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.566 -7.643 -8.533 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.322 -8.546 -7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.797 -9.365 -7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.871 -8.782 -5.796 1.00 0.00 H new ATOM 500 N ASP A 47 -3.270 -8.112 -2.801 1.00 0.00 N ATOM 501 CA ASP A 47 -2.447 -9.089 -2.100 1.00 0.00 C ATOM 502 C ASP A 47 -2.002 -8.565 -0.736 1.00 0.00 C ATOM 503 O ASP A 47 -0.859 -8.143 -0.562 1.00 0.00 O ATOM 504 CB ASP A 47 -1.225 -9.455 -2.947 1.00 0.00 C ATOM 505 CG ASP A 47 -1.202 -10.924 -3.325 1.00 0.00 C ATOM 506 OD1 ASP A 47 -2.291 -11.520 -3.461 1.00 0.00 O ATOM 507 OD2 ASP A 47 -0.094 -11.478 -3.485 1.00 0.00 O ATOM 0 H ASP A 47 -3.072 -7.141 -2.560 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.051 -9.981 -1.937 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.220 -8.849 -3.853 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.317 -9.210 -2.395 1.00 0.00 H new ATOM 512 N SER A 48 -2.916 -8.606 0.229 1.00 0.00 N ATOM 513 CA SER A 48 -2.627 -8.149 1.588 1.00 0.00 C ATOM 514 C SER A 48 -1.847 -9.193 2.351 1.00 0.00 C ATOM 515 O SER A 48 -1.441 -8.956 3.489 1.00 0.00 O ATOM 516 CB SER A 48 -3.924 -7.818 2.327 1.00 0.00 C ATOM 517 OG SER A 48 -4.982 -8.659 1.900 1.00 0.00 O ATOM 0 H SER A 48 -3.866 -8.952 0.096 1.00 0.00 H new ATOM 0 HA SER A 48 -2.020 -7.246 1.520 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.774 -7.933 3.401 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.190 -6.776 2.152 1.00 0.00 H new ATOM 0 HG SER A 48 -5.800 -8.429 2.388 1.00 0.00 H new ATOM 523 N SER A 49 -1.606 -10.339 1.729 1.00 0.00 N ATOM 524 CA SER A 49 -0.836 -11.357 2.403 1.00 0.00 C ATOM 525 C SER A 49 0.618 -10.921 2.418 1.00 0.00 C ATOM 526 O SER A 49 1.259 -10.823 1.372 1.00 0.00 O ATOM 527 CB SER A 49 -0.984 -12.706 1.696 1.00 0.00 C ATOM 528 OG SER A 49 -0.870 -13.780 2.614 1.00 0.00 O ATOM 0 H SER A 49 -1.924 -10.577 0.789 1.00 0.00 H new ATOM 0 HA SER A 49 -1.200 -11.480 3.423 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.951 -12.753 1.195 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.220 -12.801 0.924 1.00 0.00 H new ATOM 0 HG SER A 49 -0.970 -14.630 2.137 1.00 0.00 H new ATOM 534 N ASN A 50 1.106 -10.652 3.623 1.00 0.00 N ATOM 535 CA ASN A 50 2.474 -10.197 3.861 1.00 0.00 C ATOM 536 C ASN A 50 2.552 -9.571 5.254 1.00 0.00 C ATOM 537 O ASN A 50 1.519 -9.292 5.862 1.00 0.00 O ATOM 538 CB ASN A 50 2.880 -9.167 2.811 1.00 0.00 C ATOM 539 CG ASN A 50 3.789 -9.734 1.742 1.00 0.00 C ATOM 540 OD1 ASN A 50 4.778 -10.406 2.037 1.00 0.00 O ATOM 541 ND2 ASN A 50 3.451 -9.462 0.487 1.00 0.00 N ATOM 0 H ASN A 50 0.555 -10.745 4.477 1.00 0.00 H new ATOM 0 HA ASN A 50 3.154 -11.046 3.795 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.983 -8.764 2.340 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.383 -8.335 3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.020 -9.814 -0.282 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.622 -8.901 0.292 1.00 0.00 H new ATOM 548 N PRO A 51 3.762 -9.358 5.800 1.00 0.00 N ATOM 549 CA PRO A 51 3.921 -8.794 7.132 1.00 0.00 C ATOM 550 C PRO A 51 4.079 -7.273 7.160 1.00 0.00 C ATOM 551 O PRO A 51 4.081 -6.677 8.237 1.00 0.00 O ATOM 552 CB PRO A 51 5.200 -9.472 7.609 1.00 0.00 C ATOM 553 CG PRO A 51 6.025 -9.644 6.371 1.00 0.00 C ATOM 554 CD PRO A 51 5.067 -9.682 5.197 1.00 0.00 C ATOM 0 HA PRO A 51 3.040 -8.965 7.750 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.719 -8.862 8.349 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.987 -10.432 8.079 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.733 -8.823 6.263 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.608 -10.563 6.422 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.344 -8.959 4.430 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.056 -10.663 4.721 1.00 0.00 H new ATOM 562 N SER A 52 4.214 -6.641 5.997 1.00 0.00 N ATOM 563 CA SER A 52 4.373 -5.188 5.960 1.00 0.00 C ATOM 564 C SER A 52 4.166 -4.611 4.562 1.00 0.00 C ATOM 565 O SER A 52 3.668 -3.497 4.420 1.00 0.00 O ATOM 566 CB SER A 52 5.754 -4.793 6.482 1.00 0.00 C ATOM 567 OG SER A 52 5.650 -3.920 7.594 1.00 0.00 O ATOM 0 H SER A 52 4.217 -7.099 5.086 1.00 0.00 H new ATOM 0 HA SER A 52 3.600 -4.769 6.604 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.307 -5.687 6.769 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.321 -4.308 5.687 1.00 0.00 H new ATOM 0 HG SER A 52 6.547 -3.684 7.910 1.00 0.00 H new ATOM 573 N TRP A 53 4.555 -5.354 3.533 1.00 0.00 N ATOM 574 CA TRP A 53 4.404 -4.876 2.162 1.00 0.00 C ATOM 575 C TRP A 53 3.358 -5.684 1.405 1.00 0.00 C ATOM 576 O TRP A 53 3.564 -6.862 1.122 1.00 0.00 O ATOM 577 CB TRP A 53 5.739 -4.954 1.422 1.00 0.00 C ATOM 578 CG TRP A 53 6.603 -3.744 1.602 1.00 0.00 C ATOM 579 CD1 TRP A 53 7.526 -3.536 2.584 1.00 0.00 C ATOM 580 CD2 TRP A 53 6.630 -2.578 0.771 1.00 0.00 C ATOM 581 NE1 TRP A 53 8.127 -2.313 2.417 1.00 0.00 N ATOM 582 CE2 TRP A 53 7.593 -1.704 1.311 1.00 0.00 C ATOM 583 CE3 TRP A 53 5.934 -2.185 -0.374 1.00 0.00 C ATOM 584 CZ2 TRP A 53 7.877 -0.465 0.741 1.00 0.00 C ATOM 585 CZ3 TRP A 53 6.216 -0.955 -0.938 1.00 0.00 C ATOM 586 CH2 TRP A 53 7.180 -0.108 -0.380 1.00 0.00 C ATOM 0 H TRP A 53 4.973 -6.280 3.618 1.00 0.00 H new ATOM 0 HA TRP A 53 4.073 -3.839 2.210 1.00 0.00 H new ATOM 0 HB2 TRP A 53 6.284 -5.832 1.767 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.546 -5.096 0.359 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.752 -4.232 3.378 1.00 0.00 H new ATOM 0 HE1 TRP A 53 8.852 -1.921 3.018 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.188 -2.831 -0.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 8.621 0.190 1.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.683 -0.642 -1.824 1.00 0.00 H new ATOM 0 HH2 TRP A 53 7.378 0.847 -0.844 1.00 0.00 H new ATOM 597 N TRP A 54 2.245 -5.042 1.054 1.00 0.00 N ATOM 598 CA TRP A 54 1.189 -5.717 0.307 1.00 0.00 C ATOM 599 C TRP A 54 1.100 -5.165 -1.111 1.00 0.00 C ATOM 600 O TRP A 54 1.248 -3.963 -1.329 1.00 0.00 O ATOM 601 CB TRP A 54 -0.176 -5.570 0.986 1.00 0.00 C ATOM 602 CG TRP A 54 -0.195 -5.895 2.448 1.00 0.00 C ATOM 603 CD1 TRP A 54 0.657 -6.717 3.116 1.00 0.00 C ATOM 604 CD2 TRP A 54 -1.135 -5.418 3.420 1.00 0.00 C ATOM 605 NE1 TRP A 54 0.303 -6.797 4.438 1.00 0.00 N ATOM 606 CE2 TRP A 54 -0.792 -6.001 4.653 1.00 0.00 C ATOM 607 CE3 TRP A 54 -2.235 -4.556 3.365 1.00 0.00 C ATOM 608 CZ2 TRP A 54 -1.507 -5.750 5.822 1.00 0.00 C ATOM 609 CZ3 TRP A 54 -2.943 -4.306 4.526 1.00 0.00 C ATOM 610 CH2 TRP A 54 -2.577 -4.901 5.739 1.00 0.00 C ATOM 0 H TRP A 54 2.053 -4.064 1.273 1.00 0.00 H new ATOM 0 HA TRP A 54 1.449 -6.775 0.278 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.523 -4.545 0.853 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.890 -6.217 0.476 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.494 -7.233 2.669 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.777 -7.357 5.146 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.526 -4.094 2.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.227 -6.208 6.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.793 -3.640 4.496 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.151 -4.686 6.628 1.00 0.00 H new ATOM 621 N THR A 55 0.852 -6.048 -2.071 1.00 0.00 N ATOM 622 CA THR A 55 0.736 -5.643 -3.465 1.00 0.00 C ATOM 623 C THR A 55 -0.688 -5.202 -3.791 1.00 0.00 C ATOM 624 O THR A 55 -1.626 -5.997 -3.725 1.00 0.00 O ATOM 625 CB THR A 55 1.140 -6.783 -4.417 1.00 0.00 C ATOM 626 OG1 THR A 55 2.228 -7.527 -3.856 1.00 0.00 O ATOM 627 CG2 THR A 55 1.543 -6.234 -5.777 1.00 0.00 C ATOM 0 H THR A 55 0.728 -7.047 -1.909 1.00 0.00 H new ATOM 0 HA THR A 55 1.416 -4.803 -3.609 1.00 0.00 H new ATOM 0 HB THR A 55 0.280 -7.440 -4.548 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.478 -8.252 -4.467 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.824 -7.058 -6.433 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.704 -5.693 -6.214 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.390 -5.558 -5.660 1.00 0.00 H new ATOM 635 N GLY A 56 -0.838 -3.930 -4.147 1.00 0.00 N ATOM 636 CA GLY A 56 -2.146 -3.397 -4.484 1.00 0.00 C ATOM 637 C GLY A 56 -2.074 -2.392 -5.617 1.00 0.00 C ATOM 638 O GLY A 56 -0.998 -2.142 -6.155 1.00 0.00 O ATOM 0 H GLY A 56 -0.074 -3.257 -4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.809 -4.215 -4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.582 -2.922 -3.605 1.00 0.00 H new ATOM 642 N ARG A 57 -3.213 -1.815 -5.989 1.00 0.00 N ATOM 643 CA ARG A 57 -3.236 -0.838 -7.074 1.00 0.00 C ATOM 644 C ARG A 57 -4.148 0.343 -6.755 1.00 0.00 C ATOM 645 O ARG A 57 -5.280 0.169 -6.305 1.00 0.00 O ATOM 646 CB ARG A 57 -3.675 -1.503 -8.381 1.00 0.00 C ATOM 647 CG ARG A 57 -4.916 -2.367 -8.240 1.00 0.00 C ATOM 648 CD ARG A 57 -5.502 -2.722 -9.597 1.00 0.00 C ATOM 649 NE ARG A 57 -6.469 -3.813 -9.508 1.00 0.00 N ATOM 650 CZ ARG A 57 -7.017 -4.404 -10.567 1.00 0.00 C ATOM 651 NH1 ARG A 57 -6.690 -4.013 -11.792 1.00 0.00 N ATOM 652 NH2 ARG A 57 -7.893 -5.387 -10.401 1.00 0.00 N ATOM 0 H ARG A 57 -4.120 -2.003 -5.563 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.223 -0.454 -7.189 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.864 -0.730 -9.126 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.857 -2.116 -8.759 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.666 -3.280 -7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.663 -1.840 -7.646 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.985 -1.843 -10.024 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.698 -3.005 -10.276 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.740 -4.141 -8.581 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.017 -3.258 -11.924 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.111 -4.468 -12.602 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.147 -5.690 -9.461 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.312 -5.839 -11.214 1.00 0.00 H new ATOM 666 N LEU A 58 -3.634 1.547 -7.002 1.00 0.00 N ATOM 667 CA LEU A 58 -4.378 2.778 -6.757 1.00 0.00 C ATOM 668 C LEU A 58 -4.985 3.296 -8.058 1.00 0.00 C ATOM 669 O LEU A 58 -4.262 3.669 -8.981 1.00 0.00 O ATOM 670 CB LEU A 58 -3.449 3.837 -6.150 1.00 0.00 C ATOM 671 CG LEU A 58 -4.004 5.266 -6.109 1.00 0.00 C ATOM 672 CD1 LEU A 58 -3.619 5.951 -4.809 1.00 0.00 C ATOM 673 CD2 LEU A 58 -3.500 6.071 -7.299 1.00 0.00 C ATOM 0 H LEU A 58 -2.696 1.695 -7.375 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.185 2.569 -6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.200 3.535 -5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.518 3.845 -6.717 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.091 5.211 -6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.022 6.964 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.026 5.390 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.533 5.992 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.905 7.082 -7.252 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.411 6.115 -7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.823 5.594 -8.224 1.00 0.00 H new ATOM 685 N HIS A 59 -6.314 3.307 -8.121 1.00 0.00 N ATOM 686 CA HIS A 59 -7.029 3.769 -9.309 1.00 0.00 C ATOM 687 C HIS A 59 -6.775 2.841 -10.494 1.00 0.00 C ATOM 688 O HIS A 59 -7.591 1.968 -10.793 1.00 0.00 O ATOM 689 CB HIS A 59 -6.622 5.202 -9.663 1.00 0.00 C ATOM 690 CG HIS A 59 -6.989 6.208 -8.617 1.00 0.00 C ATOM 691 ND1 HIS A 59 -7.463 5.860 -7.368 1.00 0.00 N ATOM 692 CD2 HIS A 59 -6.948 7.562 -8.638 1.00 0.00 C ATOM 693 CE1 HIS A 59 -7.699 6.956 -6.668 1.00 0.00 C ATOM 694 NE2 HIS A 59 -7.394 8.000 -7.416 1.00 0.00 N ATOM 0 H HIS A 59 -6.920 3.000 -7.360 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.095 3.755 -9.084 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.544 5.235 -9.824 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -7.094 5.482 -10.605 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.625 8.181 -9.462 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -8.077 6.991 -5.657 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -7.477 8.976 -7.131 1.00 0.00 H new ATOM 703 N ASN A 60 -5.643 3.031 -11.168 1.00 0.00 N ATOM 704 CA ASN A 60 -5.294 2.205 -12.320 1.00 0.00 C ATOM 705 C ASN A 60 -3.802 1.881 -12.341 1.00 0.00 C ATOM 706 O ASN A 60 -3.287 1.351 -13.326 1.00 0.00 O ATOM 707 CB ASN A 60 -5.694 2.907 -13.619 1.00 0.00 C ATOM 708 CG ASN A 60 -7.147 2.677 -13.977 1.00 0.00 C ATOM 709 OD1 ASN A 60 -7.723 1.638 -13.656 1.00 0.00 O ATOM 710 ND2 ASN A 60 -7.747 3.652 -14.649 1.00 0.00 N ATOM 0 H ASN A 60 -4.954 3.747 -10.937 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.844 1.268 -12.235 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.512 3.977 -13.521 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.062 2.549 -14.432 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.726 3.557 -14.921 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.229 4.496 -14.894 1.00 0.00 H new ATOM 717 N LYS A 61 -3.117 2.192 -11.247 1.00 0.00 N ATOM 718 CA LYS A 61 -1.688 1.922 -11.134 1.00 0.00 C ATOM 719 C LYS A 61 -1.441 0.830 -10.101 1.00 0.00 C ATOM 720 O LYS A 61 -1.912 0.924 -8.972 1.00 0.00 O ATOM 721 CB LYS A 61 -0.934 3.194 -10.741 1.00 0.00 C ATOM 722 CG LYS A 61 -1.049 4.311 -11.764 1.00 0.00 C ATOM 723 CD LYS A 61 -0.210 5.516 -11.371 1.00 0.00 C ATOM 724 CE LYS A 61 1.271 5.262 -11.602 1.00 0.00 C ATOM 725 NZ LYS A 61 2.057 6.526 -11.620 1.00 0.00 N ATOM 0 H LYS A 61 -3.529 2.632 -10.424 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.321 1.583 -12.103 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.313 3.550 -9.783 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.119 2.952 -10.597 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.729 3.946 -12.740 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.093 4.610 -11.862 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.526 6.385 -11.949 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.380 5.753 -10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.653 4.608 -10.818 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.406 4.738 -12.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.061 6.308 -11.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.710 7.140 -12.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.950 7.014 -10.708 1.00 0.00 H new ATOM 739 N LEU A 62 -0.714 -0.211 -10.493 1.00 0.00 N ATOM 740 CA LEU A 62 -0.431 -1.323 -9.590 1.00 0.00 C ATOM 741 C LEU A 62 0.992 -1.255 -9.051 1.00 0.00 C ATOM 742 O LEU A 62 1.891 -0.713 -9.696 1.00 0.00 O ATOM 743 CB LEU A 62 -0.650 -2.661 -10.302 1.00 0.00 C ATOM 744 CG LEU A 62 -1.233 -2.562 -11.713 1.00 0.00 C ATOM 745 CD1 LEU A 62 -0.209 -3.006 -12.746 1.00 0.00 C ATOM 746 CD2 LEU A 62 -2.500 -3.395 -11.824 1.00 0.00 C ATOM 0 H LEU A 62 -0.311 -0.309 -11.425 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.120 -1.245 -8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.304 -3.185 -10.357 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.316 -3.273 -9.694 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.488 -1.520 -11.909 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.641 -2.929 -13.744 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.672 -2.368 -12.682 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.077 -4.040 -12.554 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.902 -3.313 -12.834 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.270 -4.438 -11.608 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.238 -3.031 -11.109 1.00 0.00 H new ATOM 758 N GLY A 63 1.187 -1.818 -7.862 1.00 0.00 N ATOM 759 CA GLY A 63 2.497 -1.824 -7.244 1.00 0.00 C ATOM 760 C GLY A 63 2.436 -2.062 -5.747 1.00 0.00 C ATOM 761 O GLY A 63 1.375 -1.940 -5.134 1.00 0.00 O ATOM 0 H GLY A 63 0.456 -2.272 -7.315 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.109 -2.598 -7.706 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.990 -0.871 -7.437 1.00 0.00 H new ATOM 765 N LEU A 64 3.576 -2.405 -5.160 1.00 0.00 N ATOM 766 CA LEU A 64 3.658 -2.667 -3.724 1.00 0.00 C ATOM 767 C LEU A 64 3.543 -1.370 -2.924 1.00 0.00 C ATOM 768 O LEU A 64 3.989 -0.316 -3.373 1.00 0.00 O ATOM 769 CB LEU A 64 4.978 -3.372 -3.395 1.00 0.00 C ATOM 770 CG LEU A 64 5.629 -4.120 -4.561 1.00 0.00 C ATOM 771 CD1 LEU A 64 7.089 -4.414 -4.258 1.00 0.00 C ATOM 772 CD2 LEU A 64 4.872 -5.406 -4.854 1.00 0.00 C ATOM 0 H LEU A 64 4.461 -2.509 -5.656 1.00 0.00 H new ATOM 0 HA LEU A 64 2.826 -3.314 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.684 -2.630 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.801 -4.079 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 64 5.586 -3.486 -5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.535 -4.946 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.623 -3.477 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.158 -5.030 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.347 -5.926 -5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.885 -6.045 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.841 -5.170 -5.116 1.00 0.00 H new ATOM 784 N PHE A 65 2.942 -1.451 -1.737 1.00 0.00 N ATOM 785 CA PHE A 65 2.774 -0.275 -0.885 1.00 0.00 C ATOM 786 C PHE A 65 3.084 -0.600 0.577 1.00 0.00 C ATOM 787 O PHE A 65 3.043 -1.763 0.984 1.00 0.00 O ATOM 788 CB PHE A 65 1.344 0.275 -1.007 1.00 0.00 C ATOM 789 CG PHE A 65 0.363 -0.369 -0.068 1.00 0.00 C ATOM 790 CD1 PHE A 65 0.224 0.102 1.225 1.00 0.00 C ATOM 791 CD2 PHE A 65 -0.411 -1.445 -0.471 1.00 0.00 C ATOM 792 CE1 PHE A 65 -0.660 -0.484 2.101 1.00 0.00 C ATOM 793 CE2 PHE A 65 -1.305 -2.037 0.400 1.00 0.00 C ATOM 794 CZ PHE A 65 -1.428 -1.557 1.691 1.00 0.00 C ATOM 0 H PHE A 65 2.565 -2.314 -1.345 1.00 0.00 H new ATOM 0 HA PHE A 65 3.480 0.484 -1.223 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.361 1.349 -0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.997 0.136 -2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.818 0.942 1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.314 -1.825 -1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.754 -0.106 3.108 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.906 -2.873 0.073 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.122 -2.019 2.377 1.00 0.00 H new ATOM 804 N PRO A 66 3.388 0.430 1.394 1.00 0.00 N ATOM 805 CA PRO A 66 3.692 0.250 2.819 1.00 0.00 C ATOM 806 C PRO A 66 2.435 0.057 3.664 1.00 0.00 C ATOM 807 O PRO A 66 1.692 1.007 3.912 1.00 0.00 O ATOM 808 CB PRO A 66 4.358 1.574 3.185 1.00 0.00 C ATOM 809 CG PRO A 66 3.670 2.561 2.314 1.00 0.00 C ATOM 810 CD PRO A 66 3.456 1.858 1.003 1.00 0.00 C ATOM 0 HA PRO A 66 4.301 -0.635 3.001 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.227 1.811 4.241 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.431 1.550 2.994 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.722 2.876 2.750 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.275 3.459 2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.538 2.186 0.515 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.273 2.047 0.306 1.00 0.00 H new ATOM 818 N ALA A 67 2.201 -1.171 4.113 1.00 0.00 N ATOM 819 CA ALA A 67 1.035 -1.465 4.937 1.00 0.00 C ATOM 820 C ALA A 67 1.159 -0.806 6.305 1.00 0.00 C ATOM 821 O ALA A 67 0.206 -0.784 7.084 1.00 0.00 O ATOM 822 CB ALA A 67 0.850 -2.968 5.087 1.00 0.00 C ATOM 0 H ALA A 67 2.799 -1.975 3.922 1.00 0.00 H new ATOM 0 HA ALA A 67 0.156 -1.056 4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.025 -3.167 5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.709 -3.417 4.104 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.733 -3.398 5.559 1.00 0.00 H new ATOM 828 N ASN A 68 2.342 -0.265 6.591 1.00 0.00 N ATOM 829 CA ASN A 68 2.593 0.400 7.863 1.00 0.00 C ATOM 830 C ASN A 68 2.326 1.897 7.755 1.00 0.00 C ATOM 831 O ASN A 68 1.931 2.539 8.728 1.00 0.00 O ATOM 832 CB ASN A 68 4.038 0.147 8.316 1.00 0.00 C ATOM 833 CG ASN A 68 4.784 1.423 8.665 1.00 0.00 C ATOM 834 OD1 ASN A 68 4.946 1.760 9.838 1.00 0.00 O ATOM 835 ND2 ASN A 68 5.243 2.140 7.644 1.00 0.00 N ATOM 0 H ASN A 68 3.141 -0.276 5.957 1.00 0.00 H new ATOM 0 HA ASN A 68 1.912 -0.014 8.607 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.030 -0.512 9.184 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.575 -0.376 7.524 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.752 3.007 7.817 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.086 1.823 6.687 1.00 0.00 H new ATOM 842 N TYR A 69 2.547 2.449 6.565 1.00 0.00 N ATOM 843 CA TYR A 69 2.331 3.872 6.335 1.00 0.00 C ATOM 844 C TYR A 69 0.847 4.187 6.203 1.00 0.00 C ATOM 845 O TYR A 69 0.377 5.210 6.703 1.00 0.00 O ATOM 846 CB TYR A 69 3.078 4.333 5.086 1.00 0.00 C ATOM 847 CG TYR A 69 3.727 5.689 5.233 1.00 0.00 C ATOM 848 CD1 TYR A 69 4.590 5.956 6.287 1.00 0.00 C ATOM 849 CD2 TYR A 69 3.479 6.701 4.316 1.00 0.00 C ATOM 850 CE1 TYR A 69 5.186 7.195 6.425 1.00 0.00 C ATOM 851 CE2 TYR A 69 4.072 7.942 4.446 1.00 0.00 C ATOM 852 CZ TYR A 69 4.925 8.184 5.502 1.00 0.00 C ATOM 853 OH TYR A 69 5.517 9.419 5.635 1.00 0.00 O ATOM 0 H TYR A 69 2.875 1.933 5.748 1.00 0.00 H new ATOM 0 HA TYR A 69 2.720 4.412 7.198 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.844 3.598 4.840 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.382 4.362 4.247 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.799 5.183 7.011 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.812 6.515 3.487 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.853 7.387 7.252 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.868 8.719 3.724 1.00 0.00 H new ATOM 0 HH TYR A 69 5.229 10.001 4.901 1.00 0.00 H new ATOM 863 N VAL A 70 0.109 3.310 5.528 1.00 0.00 N ATOM 864 CA VAL A 70 -1.322 3.522 5.343 1.00 0.00 C ATOM 865 C VAL A 70 -2.134 2.353 5.903 1.00 0.00 C ATOM 866 O VAL A 70 -1.650 1.223 5.971 1.00 0.00 O ATOM 867 CB VAL A 70 -1.667 3.731 3.854 1.00 0.00 C ATOM 868 CG1 VAL A 70 -0.563 4.512 3.159 1.00 0.00 C ATOM 869 CG2 VAL A 70 -1.903 2.401 3.154 1.00 0.00 C ATOM 0 H VAL A 70 0.473 2.456 5.105 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.586 4.425 5.894 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.590 4.307 3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.821 4.651 2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.449 5.485 3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.374 3.960 3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.144 2.579 2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.003 1.790 3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.731 1.879 3.633 1.00 0.00 H new ATOM 879 N ALA A 71 -3.370 2.641 6.312 1.00 0.00 N ATOM 880 CA ALA A 71 -4.251 1.622 6.878 1.00 0.00 C ATOM 881 C ALA A 71 -5.415 1.317 5.940 1.00 0.00 C ATOM 882 O ALA A 71 -5.858 2.190 5.193 1.00 0.00 O ATOM 883 CB ALA A 71 -4.767 2.069 8.236 1.00 0.00 C ATOM 0 H ALA A 71 -3.783 3.572 6.261 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.673 0.706 7.004 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.422 1.301 8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.926 2.227 8.911 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.324 3.000 8.125 1.00 0.00 H new ATOM 889 N PRO A 72 -5.922 0.069 5.952 1.00 0.00 N ATOM 890 CA PRO A 72 -7.029 -0.343 5.081 1.00 0.00 C ATOM 891 C PRO A 72 -8.277 0.508 5.230 1.00 0.00 C ATOM 892 O PRO A 72 -8.318 1.462 6.007 1.00 0.00 O ATOM 893 CB PRO A 72 -7.315 -1.782 5.507 1.00 0.00 C ATOM 894 CG PRO A 72 -6.039 -2.251 6.105 1.00 0.00 C ATOM 895 CD PRO A 72 -5.451 -1.049 6.792 1.00 0.00 C ATOM 0 HA PRO A 72 -6.753 -0.234 4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.132 -1.828 6.227 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.605 -2.398 4.656 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.212 -3.062 6.813 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.364 -2.634 5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.802 -0.959 7.820 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.363 -1.096 6.830 1.00 0.00 H new ATOM 903 N MET A 73 -9.290 0.148 4.454 1.00 0.00 N ATOM 904 CA MET A 73 -10.554 0.858 4.454 1.00 0.00 C ATOM 905 C MET A 73 -11.687 -0.077 4.048 1.00 0.00 C ATOM 906 O MET A 73 -11.892 -0.337 2.862 1.00 0.00 O ATOM 907 CB MET A 73 -10.475 2.029 3.479 1.00 0.00 C ATOM 908 CG MET A 73 -11.380 3.194 3.844 1.00 0.00 C ATOM 909 SD MET A 73 -13.120 2.856 3.509 1.00 0.00 S ATOM 910 CE MET A 73 -13.127 2.838 1.718 1.00 0.00 C ATOM 0 H MET A 73 -9.256 -0.642 3.810 1.00 0.00 H new ATOM 0 HA MET A 73 -10.754 1.231 5.459 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.445 2.382 3.433 1.00 0.00 H new ATOM 0 HB3 MET A 73 -10.736 1.677 2.481 1.00 0.00 H new ATOM 0 HG2 MET A 73 -11.257 3.427 4.902 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.072 4.077 3.285 1.00 0.00 H new ATOM 0 HE1 MET A 73 -14.140 3.015 1.356 1.00 0.00 H new ATOM 0 HE2 MET A 73 -12.466 3.620 1.344 1.00 0.00 H new ATOM 0 HE3 MET A 73 -12.779 1.868 1.363 1.00 0.00 H new ATOM 975 N PRO B 77 5.198 6.522 10.775 1.00 0.00 N ATOM 976 CA PRO B 77 5.316 5.092 10.487 1.00 0.00 C ATOM 977 C PRO B 77 6.472 4.793 9.541 1.00 0.00 C ATOM 978 O PRO B 77 6.639 5.456 8.518 1.00 0.00 O ATOM 979 CB PRO B 77 3.978 4.730 9.822 1.00 0.00 C ATOM 980 CG PRO B 77 3.089 5.913 10.028 1.00 0.00 C ATOM 981 CD PRO B 77 3.996 7.101 10.162 1.00 0.00 C ATOM 0 HA PRO B 77 5.519 4.517 11.390 1.00 0.00 H new ATOM 0 HB2 PRO B 77 4.112 4.522 8.761 1.00 0.00 H new ATOM 0 HB3 PRO B 77 3.548 3.835 10.271 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.406 6.038 9.188 1.00 0.00 H new ATOM 0 HG3 PRO B 77 2.476 5.789 10.921 1.00 0.00 H new ATOM 0 HD2 PRO B 77 4.213 7.556 9.195 1.00 0.00 H new ATOM 0 HD3 PRO B 77 3.556 7.878 10.788 1.00 0.00 H new ATOM 989 N SER B 78 7.270 3.794 9.892 1.00 0.00 N ATOM 990 CA SER B 78 8.414 3.408 9.075 1.00 0.00 C ATOM 991 C SER B 78 8.234 2.008 8.510 1.00 0.00 C ATOM 992 O SER B 78 7.930 1.062 9.237 1.00 0.00 O ATOM 993 CB SER B 78 9.703 3.493 9.895 1.00 0.00 C ATOM 994 OG SER B 78 10.114 2.212 10.342 1.00 0.00 O ATOM 0 H SER B 78 7.147 3.236 10.737 1.00 0.00 H new ATOM 0 HA SER B 78 8.484 4.102 8.237 1.00 0.00 H new ATOM 0 HB2 SER B 78 10.492 3.940 9.291 1.00 0.00 H new ATOM 0 HB3 SER B 78 9.549 4.148 10.753 1.00 0.00 H new ATOM 0 HG SER B 78 10.941 2.297 10.862 1.00 0.00 H new ATOM 1000 N ILE B 79 8.415 1.891 7.201 1.00 0.00 N ATOM 1001 CA ILE B 79 8.267 0.618 6.519 1.00 0.00 C ATOM 1002 C ILE B 79 9.621 0.075 6.063 1.00 0.00 C ATOM 1003 O ILE B 79 10.449 0.808 5.520 1.00 0.00 O ATOM 1004 CB ILE B 79 7.297 0.752 5.320 1.00 0.00 C ATOM 1005 CG1 ILE B 79 6.092 -0.168 5.521 1.00 0.00 C ATOM 1006 CG2 ILE B 79 7.992 0.466 3.993 1.00 0.00 C ATOM 1007 CD1 ILE B 79 6.360 -1.621 5.189 1.00 0.00 C ATOM 0 H ILE B 79 8.666 2.668 6.590 1.00 0.00 H new ATOM 0 HA ILE B 79 7.843 -0.095 7.226 1.00 0.00 H new ATOM 0 HB ILE B 79 6.950 1.784 5.278 1.00 0.00 H new ATOM 0 HG12 ILE B 79 5.764 -0.098 6.558 1.00 0.00 H new ATOM 0 HG13 ILE B 79 5.269 0.189 4.902 1.00 0.00 H new ATOM 0 HG21 ILE B 79 7.276 0.571 3.177 1.00 0.00 H new ATOM 0 HG22 ILE B 79 8.810 1.172 3.851 1.00 0.00 H new ATOM 0 HG23 ILE B 79 8.387 -0.550 4.001 1.00 0.00 H new ATOM 0 HD11 ILE B 79 5.456 -2.206 5.358 1.00 0.00 H new ATOM 0 HD12 ILE B 79 6.657 -1.707 4.144 1.00 0.00 H new ATOM 0 HD13 ILE B 79 7.160 -1.998 5.826 1.00 0.00 H new ATOM 1019 N ASP B 80 9.835 -1.214 6.298 1.00 0.00 N ATOM 1020 CA ASP B 80 11.084 -1.868 5.921 1.00 0.00 C ATOM 1021 C ASP B 80 10.969 -2.517 4.544 1.00 0.00 C ATOM 1022 O ASP B 80 10.007 -3.227 4.262 1.00 0.00 O ATOM 1023 CB ASP B 80 11.466 -2.923 6.961 1.00 0.00 C ATOM 1024 CG ASP B 80 11.112 -2.498 8.373 1.00 0.00 C ATOM 1025 OD1 ASP B 80 11.673 -1.487 8.847 1.00 0.00 O ATOM 1026 OD2 ASP B 80 10.276 -3.177 9.004 1.00 0.00 O ATOM 0 H ASP B 80 9.158 -1.829 6.749 1.00 0.00 H new ATOM 0 HA ASP B 80 11.863 -1.106 5.880 1.00 0.00 H new ATOM 0 HB2 ASP B 80 10.958 -3.859 6.728 1.00 0.00 H new ATOM 0 HB3 ASP B 80 12.537 -3.118 6.901 1.00 0.00 H new ATOM 1031 N ARG B 81 11.960 -2.265 3.694 1.00 0.00 N ATOM 1032 CA ARG B 81 11.975 -2.822 2.344 1.00 0.00 C ATOM 1033 C ARG B 81 12.392 -4.291 2.357 1.00 0.00 C ATOM 1034 O ARG B 81 12.376 -4.959 1.324 1.00 0.00 O ATOM 1035 CB ARG B 81 12.923 -2.018 1.450 1.00 0.00 C ATOM 1036 CG ARG B 81 12.308 -0.736 0.911 1.00 0.00 C ATOM 1037 CD ARG B 81 11.966 -0.856 -0.566 1.00 0.00 C ATOM 1038 NE ARG B 81 12.752 0.060 -1.388 1.00 0.00 N ATOM 1039 CZ ARG B 81 13.605 -0.338 -2.328 1.00 0.00 C ATOM 1040 NH1 ARG B 81 13.785 -1.631 -2.560 1.00 0.00 N ATOM 1041 NH2 ARG B 81 14.281 0.557 -3.035 1.00 0.00 N ATOM 0 H ARG B 81 12.764 -1.678 3.916 1.00 0.00 H new ATOM 0 HA ARG B 81 10.963 -2.758 1.944 1.00 0.00 H new ATOM 0 HB2 ARG B 81 13.821 -1.771 2.016 1.00 0.00 H new ATOM 0 HB3 ARG B 81 13.236 -2.642 0.612 1.00 0.00 H new ATOM 0 HG2 ARG B 81 11.406 -0.499 1.476 1.00 0.00 H new ATOM 0 HG3 ARG B 81 13.003 0.091 1.058 1.00 0.00 H new ATOM 0 HD2 ARG B 81 12.141 -1.880 -0.896 1.00 0.00 H new ATOM 0 HD3 ARG B 81 10.905 -0.652 -0.710 1.00 0.00 H new ATOM 0 HE ARG B 81 12.641 1.062 -1.233 1.00 0.00 H new ATOM 0 HH11 ARG B 81 13.269 -2.323 -2.017 1.00 0.00 H new ATOM 0 HH12 ARG B 81 14.440 -1.933 -3.281 1.00 0.00 H new ATOM 0 HH21 ARG B 81 14.147 1.553 -2.859 1.00 0.00 H new ATOM 0 HH22 ARG B 81 14.935 0.250 -3.755 1.00 0.00 H new ATOM 1055 N SER B 82 12.772 -4.785 3.530 1.00 0.00 N ATOM 1056 CA SER B 82 13.203 -6.172 3.676 1.00 0.00 C ATOM 1057 C SER B 82 12.011 -7.108 3.868 1.00 0.00 C ATOM 1058 O SER B 82 12.187 -8.308 4.081 1.00 0.00 O ATOM 1059 CB SER B 82 14.162 -6.304 4.859 1.00 0.00 C ATOM 1060 OG SER B 82 13.961 -5.260 5.798 1.00 0.00 O ATOM 0 H SER B 82 12.791 -4.245 4.395 1.00 0.00 H new ATOM 0 HA SER B 82 13.717 -6.460 2.759 1.00 0.00 H new ATOM 0 HB2 SER B 82 14.014 -7.268 5.345 1.00 0.00 H new ATOM 0 HB3 SER B 82 15.191 -6.282 4.501 1.00 0.00 H new ATOM 0 HG SER B 82 14.585 -5.368 6.546 1.00 0.00 H new ATOM 1066 N THR B 83 10.803 -6.556 3.803 1.00 0.00 N ATOM 1067 CA THR B 83 9.593 -7.353 3.983 1.00 0.00 C ATOM 1068 C THR B 83 8.726 -7.369 2.724 1.00 0.00 C ATOM 1069 O THR B 83 7.610 -7.888 2.738 1.00 0.00 O ATOM 1070 CB THR B 83 8.747 -6.836 5.167 1.00 0.00 C ATOM 1071 OG1 THR B 83 7.511 -6.292 4.690 1.00 0.00 O ATOM 1072 CG2 THR B 83 9.498 -5.775 5.957 1.00 0.00 C ATOM 0 H THR B 83 10.636 -5.565 3.628 1.00 0.00 H new ATOM 0 HA THR B 83 9.927 -8.369 4.193 1.00 0.00 H new ATOM 0 HB THR B 83 8.544 -7.680 5.827 1.00 0.00 H new ATOM 0 HG1 THR B 83 7.053 -6.957 4.135 1.00 0.00 H new ATOM 0 HG21 THR B 83 8.877 -5.430 6.784 1.00 0.00 H new ATOM 0 HG22 THR B 83 10.422 -6.200 6.349 1.00 0.00 H new ATOM 0 HG23 THR B 83 9.733 -4.934 5.305 1.00 0.00 H new ATOM 1080 N LYS B 84 9.244 -6.800 1.638 1.00 0.00 N ATOM 1081 CA LYS B 84 8.513 -6.752 0.371 1.00 0.00 C ATOM 1082 C LYS B 84 7.971 -8.132 -0.006 1.00 0.00 C ATOM 1083 O LYS B 84 8.523 -9.152 0.405 1.00 0.00 O ATOM 1084 CB LYS B 84 9.420 -6.225 -0.741 1.00 0.00 C ATOM 1085 CG LYS B 84 9.298 -4.727 -0.967 1.00 0.00 C ATOM 1086 CD LYS B 84 10.662 -4.063 -1.043 1.00 0.00 C ATOM 1087 CE LYS B 84 11.071 -3.789 -2.482 1.00 0.00 C ATOM 1088 NZ LYS B 84 11.954 -4.859 -3.022 1.00 0.00 N ATOM 0 H LYS B 84 10.166 -6.366 1.608 1.00 0.00 H new ATOM 0 HA LYS B 84 7.667 -6.076 0.495 1.00 0.00 H new ATOM 0 HB2 LYS B 84 10.455 -6.464 -0.498 1.00 0.00 H new ATOM 0 HB3 LYS B 84 9.182 -6.745 -1.669 1.00 0.00 H new ATOM 0 HG2 LYS B 84 8.749 -4.541 -1.890 1.00 0.00 H new ATOM 0 HG3 LYS B 84 8.720 -4.282 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS B 84 10.643 -3.127 -0.485 1.00 0.00 H new ATOM 0 HD3 LYS B 84 11.406 -4.703 -0.568 1.00 0.00 H new ATOM 0 HE2 LYS B 84 10.179 -3.706 -3.103 1.00 0.00 H new ATOM 0 HE3 LYS B 84 11.587 -2.831 -2.536 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 12.477 -4.496 -3.844 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 12.628 -5.157 -2.288 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 11.375 -5.673 -3.312 1.00 0.00 H new ATOM 1102 N PRO B 85 6.875 -8.184 -0.793 1.00 0.00 N ATOM 1103 CA PRO B 85 6.264 -9.450 -1.216 1.00 0.00 C ATOM 1104 C PRO B 85 7.288 -10.451 -1.737 1.00 0.00 C ATOM 1105 O PRO B 85 7.769 -10.335 -2.864 1.00 0.00 O ATOM 1106 CB PRO B 85 5.319 -9.028 -2.339 1.00 0.00 C ATOM 1107 CG PRO B 85 4.944 -7.625 -2.009 1.00 0.00 C ATOM 1108 CD PRO B 85 6.142 -7.016 -1.328 1.00 0.00 C ATOM 0 HA PRO B 85 5.771 -9.956 -0.386 1.00 0.00 H new ATOM 0 HB2 PRO B 85 5.807 -9.089 -3.312 1.00 0.00 H new ATOM 0 HB3 PRO B 85 4.441 -9.673 -2.382 1.00 0.00 H new ATOM 0 HG2 PRO B 85 4.685 -7.070 -2.910 1.00 0.00 H new ATOM 0 HG3 PRO B 85 4.071 -7.599 -1.357 1.00 0.00 H new ATOM 0 HD2 PRO B 85 6.753 -6.446 -2.028 1.00 0.00 H new ATOM 0 HD3 PRO B 85 5.845 -6.331 -0.533 1.00 0.00 H new ATOM 1116 N ALA B 86 7.617 -11.434 -0.907 1.00 0.00 N ATOM 1117 CA ALA B 86 8.582 -12.458 -1.280 1.00 0.00 C ATOM 1118 C ALA B 86 8.289 -13.772 -0.563 1.00 0.00 C ATOM 1119 O ALA B 86 7.593 -13.735 0.474 1.00 0.00 O ATOM 1120 CB ALA B 86 9.995 -11.989 -0.970 1.00 0.00 C ATOM 1121 OXT ALA B 86 8.755 -14.826 -1.044 1.00 0.00 O ATOM 0 H ALA B 86 7.228 -11.542 0.030 1.00 0.00 H new ATOM 0 HA ALA B 86 8.497 -12.631 -2.353 1.00 0.00 H new ATOM 0 HB1 ALA B 86 10.706 -12.765 -1.254 1.00 0.00 H new ATOM 0 HB2 ALA B 86 10.208 -11.079 -1.531 1.00 0.00 H new ATOM 0 HB3 ALA B 86 10.085 -11.787 0.097 1.00 0.00 H new