USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=14 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 170:sc= -0.0966 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0802 USER MOD Single : A 50 ASN :FLIP amide:sc= -2.67 F(o=-3.9,f=-2.7) USER MOD Single : A 52 SER OG : rot 60:sc= 0.136 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.396 X(o=-0.4,f=-0.78) USER MOD Single : A 60 ASN : amide:sc= -0.158 K(o=-0.16,f=-0.96) USER MOD Single : A 61 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00615) USER MOD Single : A 68 ASN : amide:sc= -4.99 K(o=-5,f=-9.8!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 156:sc= -0.0788 (180deg=-0.519) USER MOD Single : B 78 SER OG : rot 15:sc= 0.633! USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 83 THR OG1 : rot -49:sc= 1.03 USER MOD Single : B 84 LYS NZ :NH3+ -161:sc= -0.049 (180deg=-0.505) USER MOD ----------------------------------------------------------------- ATOM 50 N ARG A 19 -8.599 -5.289 2.878 1.00 0.00 N ATOM 51 CA ARG A 19 -7.681 -5.372 1.749 1.00 0.00 C ATOM 52 C ARG A 19 -7.641 -4.057 0.977 1.00 0.00 C ATOM 53 O ARG A 19 -7.831 -4.036 -0.238 1.00 0.00 O ATOM 54 CB ARG A 19 -8.099 -6.512 0.818 1.00 0.00 C ATOM 55 CG ARG A 19 -9.583 -6.504 0.481 1.00 0.00 C ATOM 56 CD ARG A 19 -9.957 -7.655 -0.438 1.00 0.00 C ATOM 57 NE ARG A 19 -11.288 -7.486 -1.013 1.00 0.00 N ATOM 58 CZ ARG A 19 -12.019 -8.489 -1.490 1.00 0.00 C ATOM 59 NH1 ARG A 19 -11.548 -9.729 -1.460 1.00 0.00 N ATOM 60 NH2 ARG A 19 -13.222 -8.254 -1.996 1.00 0.00 N ATOM 0 HA ARG A 19 -6.682 -5.570 2.136 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.524 -6.446 -0.106 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.845 -7.464 1.285 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.165 -6.568 1.400 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.843 -5.559 0.005 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.223 -7.732 -1.240 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.919 -8.591 0.119 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.680 -6.545 -1.051 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.624 -9.914 -1.071 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.110 -10.497 -1.826 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.588 -7.302 -2.020 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.781 -9.025 -2.361 1.00 0.00 H new ATOM 74 N TRP A 20 -7.404 -2.959 1.691 1.00 0.00 N ATOM 75 CA TRP A 20 -7.345 -1.638 1.082 1.00 0.00 C ATOM 76 C TRP A 20 -6.233 -0.812 1.707 1.00 0.00 C ATOM 77 O TRP A 20 -5.809 -1.080 2.827 1.00 0.00 O ATOM 78 CB TRP A 20 -8.685 -0.922 1.235 1.00 0.00 C ATOM 79 CG TRP A 20 -9.789 -1.631 0.529 1.00 0.00 C ATOM 80 CD1 TRP A 20 -10.469 -2.727 0.972 1.00 0.00 C ATOM 81 CD2 TRP A 20 -10.326 -1.308 -0.755 1.00 0.00 C ATOM 82 NE1 TRP A 20 -11.395 -3.114 0.031 1.00 0.00 N ATOM 83 CE2 TRP A 20 -11.326 -2.253 -1.038 1.00 0.00 C ATOM 84 CE3 TRP A 20 -10.056 -0.308 -1.694 1.00 0.00 C ATOM 85 CZ2 TRP A 20 -12.053 -2.230 -2.224 1.00 0.00 C ATOM 86 CZ3 TRP A 20 -10.780 -0.285 -2.868 1.00 0.00 C ATOM 87 CH2 TRP A 20 -11.768 -1.241 -3.126 1.00 0.00 C ATOM 0 H TRP A 20 -7.249 -2.962 2.699 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.132 -1.758 0.020 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -8.930 -0.836 2.294 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.599 0.092 0.845 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.305 -3.218 1.920 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -12.029 -3.909 0.113 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -9.294 0.433 -1.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -12.816 -2.967 -2.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -10.581 0.484 -3.600 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -12.317 -1.198 -4.055 1.00 0.00 H new ATOM 98 N ALA A 21 -5.752 0.186 0.980 1.00 0.00 N ATOM 99 CA ALA A 21 -4.697 1.033 1.486 1.00 0.00 C ATOM 100 C ALA A 21 -5.135 2.487 1.463 1.00 0.00 C ATOM 101 O ALA A 21 -5.147 3.124 0.410 1.00 0.00 O ATOM 102 CB ALA A 21 -3.436 0.846 0.660 1.00 0.00 C ATOM 0 H ALA A 21 -6.078 0.423 0.043 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.483 0.752 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.647 1.489 1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.116 -0.195 0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.639 1.109 -0.378 1.00 0.00 H new ATOM 108 N ARG A 22 -5.472 3.020 2.630 1.00 0.00 N ATOM 109 CA ARG A 22 -5.881 4.409 2.721 1.00 0.00 C ATOM 110 C ARG A 22 -4.743 5.221 3.304 1.00 0.00 C ATOM 111 O ARG A 22 -4.406 5.094 4.483 1.00 0.00 O ATOM 112 CB ARG A 22 -7.152 4.562 3.564 1.00 0.00 C ATOM 113 CG ARG A 22 -7.332 5.946 4.172 1.00 0.00 C ATOM 114 CD ARG A 22 -8.039 5.879 5.516 1.00 0.00 C ATOM 115 NE ARG A 22 -7.286 5.098 6.493 1.00 0.00 N ATOM 116 CZ ARG A 22 -7.813 4.613 7.613 1.00 0.00 C ATOM 117 NH1 ARG A 22 -9.092 4.825 7.893 1.00 0.00 N ATOM 118 NH2 ARG A 22 -7.062 3.914 8.453 1.00 0.00 N ATOM 0 H ARG A 22 -5.470 2.515 3.516 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.115 4.777 1.722 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.017 4.335 2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.134 3.824 4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.358 6.419 4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.906 6.572 3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.189 6.889 5.897 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.027 5.438 5.384 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.300 4.914 6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.673 5.361 7.248 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.494 4.452 8.753 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.078 3.748 8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.468 3.543 9.312 1.00 0.00 H new ATOM 132 N ALA A 23 -4.142 6.034 2.456 1.00 0.00 N ATOM 133 CA ALA A 23 -3.016 6.857 2.855 1.00 0.00 C ATOM 134 C ALA A 23 -3.453 8.064 3.671 1.00 0.00 C ATOM 135 O ALA A 23 -4.436 8.728 3.349 1.00 0.00 O ATOM 136 CB ALA A 23 -2.234 7.307 1.631 1.00 0.00 C ATOM 0 H ALA A 23 -4.417 6.142 1.480 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.374 6.247 3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.392 7.924 1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.864 6.433 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.885 7.887 0.976 1.00 0.00 H new ATOM 142 N LEU A 24 -2.682 8.352 4.712 1.00 0.00 N ATOM 143 CA LEU A 24 -2.929 9.496 5.575 1.00 0.00 C ATOM 144 C LEU A 24 -1.772 10.469 5.410 1.00 0.00 C ATOM 145 O LEU A 24 -1.821 11.618 5.848 1.00 0.00 O ATOM 146 CB LEU A 24 -3.063 9.055 7.036 1.00 0.00 C ATOM 147 CG LEU A 24 -3.967 7.842 7.276 1.00 0.00 C ATOM 148 CD1 LEU A 24 -4.184 7.627 8.766 1.00 0.00 C ATOM 149 CD2 LEU A 24 -5.302 8.013 6.564 1.00 0.00 C ATOM 0 H LEU A 24 -1.869 7.798 4.980 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.865 9.979 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.069 8.828 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.447 9.893 7.617 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.472 6.962 6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.828 6.761 8.919 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.224 7.455 9.252 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.655 8.511 9.196 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.927 7.140 6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.804 8.905 6.940 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.132 8.118 5.492 1.00 0.00 H new ATOM 161 N TYR A 25 -0.736 9.967 4.745 1.00 0.00 N ATOM 162 CA TYR A 25 0.471 10.724 4.452 1.00 0.00 C ATOM 163 C TYR A 25 0.952 10.358 3.052 1.00 0.00 C ATOM 164 O TYR A 25 0.351 9.509 2.393 1.00 0.00 O ATOM 165 CB TYR A 25 1.579 10.427 5.473 1.00 0.00 C ATOM 166 CG TYR A 25 1.085 9.942 6.822 1.00 0.00 C ATOM 167 CD1 TYR A 25 0.681 8.623 7.005 1.00 0.00 C ATOM 168 CD2 TYR A 25 1.034 10.800 7.913 1.00 0.00 C ATOM 169 CE1 TYR A 25 0.241 8.177 8.236 1.00 0.00 C ATOM 170 CE2 TYR A 25 0.593 10.361 9.147 1.00 0.00 C ATOM 171 CZ TYR A 25 0.197 9.049 9.303 1.00 0.00 C ATOM 172 OH TYR A 25 -0.240 8.606 10.531 1.00 0.00 O ATOM 0 H TYR A 25 -0.713 9.011 4.391 1.00 0.00 H new ATOM 0 HA TYR A 25 0.240 11.788 4.510 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.248 9.675 5.054 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.169 11.331 5.621 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.712 7.937 6.171 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.344 11.828 7.795 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.067 7.150 8.362 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.559 11.042 9.985 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.209 9.344 11.175 1.00 0.00 H new ATOM 182 N ASP A 26 2.028 10.992 2.597 1.00 0.00 N ATOM 183 CA ASP A 26 2.576 10.715 1.270 1.00 0.00 C ATOM 184 C ASP A 26 2.843 9.218 1.079 1.00 0.00 C ATOM 185 O ASP A 26 2.533 8.401 1.946 1.00 0.00 O ATOM 186 CB ASP A 26 3.870 11.503 1.058 1.00 0.00 C ATOM 187 CG ASP A 26 4.126 11.811 -0.405 1.00 0.00 C ATOM 188 OD1 ASP A 26 3.466 12.722 -0.945 1.00 0.00 O ATOM 189 OD2 ASP A 26 4.990 11.140 -1.010 1.00 0.00 O ATOM 0 H ASP A 26 2.538 11.700 3.125 1.00 0.00 H new ATOM 0 HA ASP A 26 1.837 11.027 0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.820 12.436 1.620 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.709 10.934 1.459 1.00 0.00 H new ATOM 194 N PHE A 27 3.406 8.864 -0.071 1.00 0.00 N ATOM 195 CA PHE A 27 3.697 7.467 -0.389 1.00 0.00 C ATOM 196 C PHE A 27 5.175 7.127 -0.176 1.00 0.00 C ATOM 197 O PHE A 27 6.053 7.966 -0.378 1.00 0.00 O ATOM 198 CB PHE A 27 3.306 7.178 -1.837 1.00 0.00 C ATOM 199 CG PHE A 27 4.236 7.790 -2.845 1.00 0.00 C ATOM 200 CD1 PHE A 27 4.039 9.084 -3.300 1.00 0.00 C ATOM 201 CD2 PHE A 27 5.308 7.067 -3.335 1.00 0.00 C ATOM 202 CE1 PHE A 27 4.896 9.645 -4.227 1.00 0.00 C ATOM 203 CE2 PHE A 27 6.169 7.622 -4.264 1.00 0.00 C ATOM 204 CZ PHE A 27 5.963 8.912 -4.710 1.00 0.00 C ATOM 0 H PHE A 27 3.671 9.525 -0.801 1.00 0.00 H new ATOM 0 HA PHE A 27 3.113 6.844 0.288 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.279 6.099 -1.989 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.297 7.550 -2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.206 9.661 -2.926 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.475 6.058 -2.988 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.732 10.655 -4.574 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.002 7.047 -4.640 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.635 9.347 -5.435 1.00 0.00 H new ATOM 214 N GLU A 28 5.434 5.886 0.239 1.00 0.00 N ATOM 215 CA GLU A 28 6.798 5.421 0.489 1.00 0.00 C ATOM 216 C GLU A 28 7.340 4.615 -0.681 1.00 0.00 C ATOM 217 O GLU A 28 8.377 3.961 -0.563 1.00 0.00 O ATOM 218 CB GLU A 28 6.840 4.550 1.740 1.00 0.00 C ATOM 219 CG GLU A 28 6.292 5.235 2.974 1.00 0.00 C ATOM 220 CD GLU A 28 7.337 5.397 4.061 1.00 0.00 C ATOM 221 OE1 GLU A 28 7.600 4.412 4.783 1.00 0.00 O ATOM 222 OE2 GLU A 28 7.892 6.508 4.190 1.00 0.00 O ATOM 0 H GLU A 28 4.714 5.184 0.409 1.00 0.00 H new ATOM 0 HA GLU A 28 7.418 6.307 0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.271 3.639 1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.871 4.249 1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.904 6.216 2.699 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.453 4.658 3.364 1.00 0.00 H new ATOM 229 N ALA A 29 6.640 4.650 -1.804 1.00 0.00 N ATOM 230 CA ALA A 29 7.070 3.902 -2.978 1.00 0.00 C ATOM 231 C ALA A 29 8.331 4.507 -3.579 1.00 0.00 C ATOM 232 O ALA A 29 8.280 5.529 -4.262 1.00 0.00 O ATOM 233 CB ALA A 29 5.962 3.854 -4.016 1.00 0.00 C ATOM 0 H ALA A 29 5.779 5.183 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 29 7.297 2.884 -2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.302 3.291 -4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.085 3.368 -3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.703 4.869 -4.319 1.00 0.00 H new ATOM 239 N LEU A 30 9.464 3.863 -3.324 1.00 0.00 N ATOM 240 CA LEU A 30 10.742 4.332 -3.840 1.00 0.00 C ATOM 241 C LEU A 30 11.269 3.386 -4.912 1.00 0.00 C ATOM 242 O LEU A 30 12.308 3.640 -5.520 1.00 0.00 O ATOM 243 CB LEU A 30 11.765 4.460 -2.707 1.00 0.00 C ATOM 244 CG LEU A 30 11.208 4.974 -1.375 1.00 0.00 C ATOM 245 CD1 LEU A 30 12.317 5.070 -0.338 1.00 0.00 C ATOM 246 CD2 LEU A 30 10.535 6.327 -1.559 1.00 0.00 C ATOM 0 H LEU A 30 9.522 3.014 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 30 10.587 5.314 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.220 3.484 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.560 5.131 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 30 10.460 4.265 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.905 5.437 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.756 4.084 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.086 5.758 -0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.147 6.673 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.261 7.046 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.714 6.232 -2.270 1.00 0.00 H new ATOM 258 N GLU A 31 10.546 2.292 -5.139 1.00 0.00 N ATOM 259 CA GLU A 31 10.952 1.312 -6.143 1.00 0.00 C ATOM 260 C GLU A 31 10.020 1.343 -7.349 1.00 0.00 C ATOM 261 O GLU A 31 8.929 1.910 -7.290 1.00 0.00 O ATOM 262 CB GLU A 31 10.979 -0.092 -5.539 1.00 0.00 C ATOM 263 CG GLU A 31 12.084 -0.972 -6.099 1.00 0.00 C ATOM 264 CD GLU A 31 12.500 -2.068 -5.137 1.00 0.00 C ATOM 265 OE1 GLU A 31 12.868 -1.742 -3.989 1.00 0.00 O ATOM 266 OE2 GLU A 31 12.456 -3.253 -5.532 1.00 0.00 O ATOM 0 H GLU A 31 9.683 2.063 -4.646 1.00 0.00 H new ATOM 0 HA GLU A 31 11.956 1.574 -6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.102 -0.012 -4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.017 -0.573 -5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.747 -1.422 -7.033 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.950 -0.354 -6.337 1.00 0.00 H new ATOM 273 N GLU A 32 10.461 0.730 -8.445 1.00 0.00 N ATOM 274 CA GLU A 32 9.670 0.686 -9.670 1.00 0.00 C ATOM 275 C GLU A 32 8.523 -0.311 -9.542 1.00 0.00 C ATOM 276 O GLU A 32 7.412 -0.055 -10.007 1.00 0.00 O ATOM 277 CB GLU A 32 10.555 0.312 -10.861 1.00 0.00 C ATOM 278 CG GLU A 32 11.416 -0.918 -10.621 1.00 0.00 C ATOM 279 CD GLU A 32 12.776 -0.576 -10.041 1.00 0.00 C ATOM 280 OE1 GLU A 32 13.194 0.596 -10.155 1.00 0.00 O ATOM 281 OE2 GLU A 32 13.423 -1.480 -9.472 1.00 0.00 O ATOM 0 H GLU A 32 11.362 0.257 -8.509 1.00 0.00 H new ATOM 0 HA GLU A 32 9.249 1.678 -9.836 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.923 0.138 -11.731 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.202 1.156 -11.101 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.896 -1.594 -9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.550 -1.452 -11.562 1.00 0.00 H new ATOM 288 N ASP A 33 8.798 -1.444 -8.903 1.00 0.00 N ATOM 289 CA ASP A 33 7.787 -2.476 -8.707 1.00 0.00 C ATOM 290 C ASP A 33 6.757 -2.026 -7.679 1.00 0.00 C ATOM 291 O ASP A 33 5.768 -2.716 -7.431 1.00 0.00 O ATOM 292 CB ASP A 33 8.440 -3.783 -8.253 1.00 0.00 C ATOM 293 CG ASP A 33 7.679 -5.006 -8.729 1.00 0.00 C ATOM 294 OD1 ASP A 33 7.235 -5.011 -9.895 1.00 0.00 O ATOM 295 OD2 ASP A 33 7.528 -5.957 -7.934 1.00 0.00 O ATOM 0 H ASP A 33 9.713 -1.670 -8.512 1.00 0.00 H new ATOM 0 HA ASP A 33 7.282 -2.645 -9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.462 -3.825 -8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.500 -3.797 -7.165 1.00 0.00 H new ATOM 300 N GLU A 34 7.001 -0.863 -7.084 1.00 0.00 N ATOM 301 CA GLU A 34 6.102 -0.313 -6.081 1.00 0.00 C ATOM 302 C GLU A 34 5.236 0.795 -6.672 1.00 0.00 C ATOM 303 O GLU A 34 5.584 1.394 -7.690 1.00 0.00 O ATOM 304 CB GLU A 34 6.903 0.226 -4.894 1.00 0.00 C ATOM 305 CG GLU A 34 7.604 -0.859 -4.092 1.00 0.00 C ATOM 306 CD GLU A 34 8.735 -0.319 -3.239 1.00 0.00 C ATOM 307 OE1 GLU A 34 8.837 0.918 -3.098 1.00 0.00 O ATOM 308 OE2 GLU A 34 9.519 -1.134 -2.708 1.00 0.00 O ATOM 0 H GLU A 34 7.817 -0.283 -7.281 1.00 0.00 H new ATOM 0 HA GLU A 34 5.447 -1.113 -5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.647 0.934 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.233 0.778 -4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.877 -1.358 -3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.997 -1.613 -4.774 1.00 0.00 H new ATOM 315 N LEU A 35 4.111 1.064 -6.021 1.00 0.00 N ATOM 316 CA LEU A 35 3.191 2.103 -6.468 1.00 0.00 C ATOM 317 C LEU A 35 3.094 3.207 -5.423 1.00 0.00 C ATOM 318 O LEU A 35 3.159 2.940 -4.223 1.00 0.00 O ATOM 319 CB LEU A 35 1.805 1.508 -6.754 1.00 0.00 C ATOM 320 CG LEU A 35 0.705 1.858 -5.745 1.00 0.00 C ATOM 321 CD1 LEU A 35 -0.581 2.217 -6.469 1.00 0.00 C ATOM 322 CD2 LEU A 35 0.475 0.701 -4.785 1.00 0.00 C ATOM 0 H LEU A 35 3.813 0.574 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 35 3.576 2.533 -7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.485 1.841 -7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.899 0.423 -6.798 1.00 0.00 H new ATOM 0 HG LEU A 35 1.027 2.723 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.353 2.463 -5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.406 3.076 -7.116 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.908 1.370 -7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.309 0.967 -4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.172 -0.183 -5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.397 0.489 -4.244 1.00 0.00 H new ATOM 334 N GLY A 36 2.953 4.445 -5.880 1.00 0.00 N ATOM 335 CA GLY A 36 2.871 5.557 -4.958 1.00 0.00 C ATOM 336 C GLY A 36 1.534 6.272 -4.978 1.00 0.00 C ATOM 337 O GLY A 36 1.001 6.586 -6.041 1.00 0.00 O ATOM 0 H GLY A 36 2.894 4.696 -6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.063 5.194 -3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.658 6.272 -5.195 1.00 0.00 H new ATOM 341 N PHE A 37 1.008 6.541 -3.786 1.00 0.00 N ATOM 342 CA PHE A 37 -0.261 7.241 -3.639 1.00 0.00 C ATOM 343 C PHE A 37 -0.042 8.610 -3.009 1.00 0.00 C ATOM 344 O PHE A 37 1.091 9.068 -2.876 1.00 0.00 O ATOM 345 CB PHE A 37 -1.229 6.441 -2.767 1.00 0.00 C ATOM 346 CG PHE A 37 -0.560 5.492 -1.814 1.00 0.00 C ATOM 347 CD1 PHE A 37 0.255 5.966 -0.798 1.00 0.00 C ATOM 348 CD2 PHE A 37 -0.756 4.126 -1.926 1.00 0.00 C ATOM 349 CE1 PHE A 37 0.865 5.096 0.085 1.00 0.00 C ATOM 350 CE2 PHE A 37 -0.151 3.252 -1.046 1.00 0.00 C ATOM 351 CZ PHE A 37 0.661 3.736 -0.039 1.00 0.00 C ATOM 0 H PHE A 37 1.447 6.282 -2.902 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.691 7.359 -4.634 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.846 7.136 -2.197 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.900 5.876 -3.414 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.415 7.029 -0.695 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.390 3.740 -2.711 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.500 5.479 0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.313 2.189 -1.145 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.135 3.052 0.650 1.00 0.00 H new ATOM 361 N ARG A 38 -1.133 9.256 -2.615 1.00 0.00 N ATOM 362 CA ARG A 38 -1.048 10.570 -1.990 1.00 0.00 C ATOM 363 C ARG A 38 -1.844 10.616 -0.691 1.00 0.00 C ATOM 364 O ARG A 38 -2.682 9.751 -0.433 1.00 0.00 O ATOM 365 CB ARG A 38 -1.545 11.647 -2.949 1.00 0.00 C ATOM 366 CG ARG A 38 -0.988 11.503 -4.355 1.00 0.00 C ATOM 367 CD ARG A 38 -0.725 12.857 -4.991 1.00 0.00 C ATOM 368 NE ARG A 38 -1.132 12.889 -6.393 1.00 0.00 N ATOM 369 CZ ARG A 38 -2.380 13.115 -6.796 1.00 0.00 C ATOM 370 NH1 ARG A 38 -3.337 13.339 -5.904 1.00 0.00 N ATOM 371 NH2 ARG A 38 -2.671 13.120 -8.089 1.00 0.00 N ATOM 0 H ARG A 38 -2.081 8.894 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.001 10.761 -1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.634 11.612 -2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.273 12.627 -2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.062 10.929 -4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.691 10.941 -4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.263 13.628 -4.439 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.336 13.093 -4.916 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.419 12.729 -7.104 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.116 13.338 -4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.293 13.512 -6.214 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.938 12.950 -8.777 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.628 13.293 -8.396 1.00 0.00 H new ATOM 385 N SER A 39 -1.572 11.632 0.124 1.00 0.00 N ATOM 386 CA SER A 39 -2.259 11.799 1.401 1.00 0.00 C ATOM 387 C SER A 39 -3.772 11.827 1.209 1.00 0.00 C ATOM 388 O SER A 39 -4.293 12.590 0.395 1.00 0.00 O ATOM 389 CB SER A 39 -1.796 13.086 2.086 1.00 0.00 C ATOM 390 OG SER A 39 -2.310 13.178 3.403 1.00 0.00 O ATOM 0 H SER A 39 -0.879 12.353 -0.078 1.00 0.00 H new ATOM 0 HA SER A 39 -2.009 10.947 2.033 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.707 13.114 2.115 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.122 13.948 1.504 1.00 0.00 H new ATOM 0 HG SER A 39 -1.998 14.009 3.819 1.00 0.00 H new ATOM 396 N GLY A 40 -4.471 10.988 1.968 1.00 0.00 N ATOM 397 CA GLY A 40 -5.918 10.924 1.878 1.00 0.00 C ATOM 398 C GLY A 40 -6.401 10.276 0.594 1.00 0.00 C ATOM 399 O GLY A 40 -7.120 10.898 -0.189 1.00 0.00 O ATOM 0 H GLY A 40 -4.058 10.349 2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.306 10.365 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.326 11.932 1.946 1.00 0.00 H new ATOM 403 N GLU A 41 -6.008 9.023 0.374 1.00 0.00 N ATOM 404 CA GLU A 41 -6.413 8.299 -0.827 1.00 0.00 C ATOM 405 C GLU A 41 -6.711 6.837 -0.520 1.00 0.00 C ATOM 406 O GLU A 41 -6.076 6.230 0.339 1.00 0.00 O ATOM 407 CB GLU A 41 -5.322 8.392 -1.896 1.00 0.00 C ATOM 408 CG GLU A 41 -5.137 9.791 -2.461 1.00 0.00 C ATOM 409 CD GLU A 41 -6.165 10.132 -3.524 1.00 0.00 C ATOM 410 OE1 GLU A 41 -6.860 9.208 -3.997 1.00 0.00 O ATOM 411 OE2 GLU A 41 -6.274 11.324 -3.883 1.00 0.00 O ATOM 0 H GLU A 41 -5.413 8.491 1.009 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.326 8.762 -1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.378 8.055 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.565 7.710 -2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.203 10.517 -1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.137 9.878 -2.887 1.00 0.00 H new ATOM 418 N VAL A 42 -7.684 6.277 -1.235 1.00 0.00 N ATOM 419 CA VAL A 42 -8.073 4.883 -1.049 1.00 0.00 C ATOM 420 C VAL A 42 -7.440 3.995 -2.115 1.00 0.00 C ATOM 421 O VAL A 42 -7.392 4.359 -3.291 1.00 0.00 O ATOM 422 CB VAL A 42 -9.604 4.710 -1.096 1.00 0.00 C ATOM 423 CG1 VAL A 42 -10.027 3.480 -0.308 1.00 0.00 C ATOM 424 CG2 VAL A 42 -10.303 5.955 -0.569 1.00 0.00 C ATOM 0 H VAL A 42 -8.218 6.770 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.715 4.583 -0.064 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.901 4.569 -2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.111 3.374 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.558 2.594 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.716 3.589 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.383 5.811 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.001 6.133 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.027 6.814 -1.181 1.00 0.00 H new ATOM 434 N VAL A 43 -6.948 2.833 -1.696 1.00 0.00 N ATOM 435 CA VAL A 43 -6.306 1.896 -2.613 1.00 0.00 C ATOM 436 C VAL A 43 -6.868 0.487 -2.445 1.00 0.00 C ATOM 437 O VAL A 43 -7.171 0.061 -1.335 1.00 0.00 O ATOM 438 CB VAL A 43 -4.782 1.858 -2.381 1.00 0.00 C ATOM 439 CG1 VAL A 43 -4.102 0.953 -3.394 1.00 0.00 C ATOM 440 CG2 VAL A 43 -4.199 3.261 -2.436 1.00 0.00 C ATOM 0 H VAL A 43 -6.981 2.517 -0.727 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.511 2.244 -3.625 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.599 1.449 -1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.028 0.943 -3.210 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.496 -0.059 -3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.294 1.325 -4.401 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.123 3.215 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.397 3.699 -3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.659 3.877 -1.663 1.00 0.00 H new ATOM 450 N GLU A 44 -6.991 -0.242 -3.551 1.00 0.00 N ATOM 451 CA GLU A 44 -7.499 -1.609 -3.507 1.00 0.00 C ATOM 452 C GLU A 44 -6.340 -2.596 -3.426 1.00 0.00 C ATOM 453 O GLU A 44 -5.567 -2.738 -4.373 1.00 0.00 O ATOM 454 CB GLU A 44 -8.357 -1.910 -4.736 1.00 0.00 C ATOM 455 CG GLU A 44 -9.253 -3.126 -4.566 1.00 0.00 C ATOM 456 CD GLU A 44 -10.017 -3.474 -5.829 1.00 0.00 C ATOM 457 OE1 GLU A 44 -10.267 -2.560 -6.642 1.00 0.00 O ATOM 458 OE2 GLU A 44 -10.363 -4.661 -6.005 1.00 0.00 O ATOM 0 H GLU A 44 -6.747 0.089 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.122 -1.714 -2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.976 -1.041 -4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.705 -2.066 -5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.646 -3.980 -4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.961 -2.940 -3.758 1.00 0.00 H new ATOM 465 N VAL A 45 -6.217 -3.269 -2.286 1.00 0.00 N ATOM 466 CA VAL A 45 -5.142 -4.235 -2.080 1.00 0.00 C ATOM 467 C VAL A 45 -5.467 -5.565 -2.746 1.00 0.00 C ATOM 468 O VAL A 45 -6.604 -6.036 -2.696 1.00 0.00 O ATOM 469 CB VAL A 45 -4.871 -4.471 -0.582 1.00 0.00 C ATOM 470 CG1 VAL A 45 -3.815 -5.548 -0.384 1.00 0.00 C ATOM 471 CG2 VAL A 45 -4.447 -3.175 0.092 1.00 0.00 C ATOM 0 H VAL A 45 -6.848 -3.164 -1.491 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.246 -3.813 -2.536 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.796 -4.816 -0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.642 -5.696 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.160 -6.482 -0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.886 -5.239 -0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.259 -3.359 1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.537 -2.801 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.240 -2.434 -0.012 1.00 0.00 H new ATOM 481 N LEU A 46 -4.461 -6.163 -3.375 1.00 0.00 N ATOM 482 CA LEU A 46 -4.633 -7.435 -4.062 1.00 0.00 C ATOM 483 C LEU A 46 -4.023 -8.583 -3.264 1.00 0.00 C ATOM 484 O LEU A 46 -4.470 -9.726 -3.368 1.00 0.00 O ATOM 485 CB LEU A 46 -3.995 -7.372 -5.452 1.00 0.00 C ATOM 486 CG LEU A 46 -4.925 -7.727 -6.613 1.00 0.00 C ATOM 487 CD1 LEU A 46 -4.229 -7.482 -7.943 1.00 0.00 C ATOM 488 CD2 LEU A 46 -5.385 -9.175 -6.508 1.00 0.00 C ATOM 0 H LEU A 46 -3.515 -5.784 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.702 -7.621 -4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.609 -6.365 -5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.140 -8.048 -5.473 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.804 -7.085 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.904 -7.739 -8.760 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.951 -6.431 -8.020 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.333 -8.100 -8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.046 -9.408 -7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.518 -9.835 -6.536 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.921 -9.319 -5.570 1.00 0.00 H new ATOM 500 N ASP A 47 -2.998 -8.279 -2.472 1.00 0.00 N ATOM 501 CA ASP A 47 -2.335 -9.299 -1.666 1.00 0.00 C ATOM 502 C ASP A 47 -1.852 -8.732 -0.333 1.00 0.00 C ATOM 503 O ASP A 47 -0.694 -8.337 -0.196 1.00 0.00 O ATOM 504 CB ASP A 47 -1.157 -9.901 -2.435 1.00 0.00 C ATOM 505 CG ASP A 47 -1.591 -10.571 -3.724 1.00 0.00 C ATOM 506 OD1 ASP A 47 -1.955 -11.765 -3.678 1.00 0.00 O ATOM 507 OD2 ASP A 47 -1.569 -9.903 -4.779 1.00 0.00 O ATOM 0 H ASP A 47 -2.611 -7.341 -2.372 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.065 -10.081 -1.456 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.435 -9.116 -2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.648 -10.629 -1.803 1.00 0.00 H new ATOM 512 N SER A 48 -2.749 -8.710 0.648 1.00 0.00 N ATOM 513 CA SER A 48 -2.422 -8.210 1.980 1.00 0.00 C ATOM 514 C SER A 48 -1.597 -9.222 2.739 1.00 0.00 C ATOM 515 O SER A 48 -1.188 -8.968 3.873 1.00 0.00 O ATOM 516 CB SER A 48 -3.696 -7.879 2.757 1.00 0.00 C ATOM 517 OG SER A 48 -4.754 -7.529 1.880 1.00 0.00 O ATOM 0 H SER A 48 -3.711 -9.034 0.545 1.00 0.00 H new ATOM 0 HA SER A 48 -1.836 -7.298 1.867 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.990 -8.737 3.362 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.502 -7.056 3.445 1.00 0.00 H new ATOM 0 HG SER A 48 -5.593 -7.480 2.383 1.00 0.00 H new ATOM 523 N SER A 49 -1.320 -10.360 2.116 1.00 0.00 N ATOM 524 CA SER A 49 -0.507 -11.349 2.782 1.00 0.00 C ATOM 525 C SER A 49 0.943 -10.907 2.717 1.00 0.00 C ATOM 526 O SER A 49 1.540 -10.844 1.643 1.00 0.00 O ATOM 527 CB SER A 49 -0.675 -12.720 2.125 1.00 0.00 C ATOM 528 OG SER A 49 -1.510 -12.642 0.984 1.00 0.00 O ATOM 0 H SER A 49 -1.638 -10.610 1.180 1.00 0.00 H new ATOM 0 HA SER A 49 -0.822 -11.438 3.822 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.301 -13.111 1.838 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.101 -13.421 2.843 1.00 0.00 H new ATOM 0 HG SER A 49 -1.599 -13.531 0.582 1.00 0.00 H new ATOM 534 N ASN A 50 1.477 -10.600 3.891 1.00 0.00 N ATOM 535 CA ASN A 50 2.850 -10.135 4.067 1.00 0.00 C ATOM 536 C ASN A 50 2.962 -9.445 5.421 1.00 0.00 C ATOM 537 O ASN A 50 1.959 -8.975 5.959 1.00 0.00 O ATOM 538 CB ASN A 50 3.234 -9.156 2.964 1.00 0.00 C ATOM 539 CG ASN A 50 4.092 -9.781 1.886 1.00 0.00 C ATOM 540 OD1 ASN A 50 3.758 -9.491 0.635 1.00 0.00 O flip ATOM 541 ND2 ASN A 50 5.041 -10.512 2.172 1.00 0.00 N flip ATOM 0 H ASN A 50 0.959 -10.668 4.767 1.00 0.00 H new ATOM 0 HA ASN A 50 3.526 -10.989 4.018 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.327 -8.755 2.511 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.770 -8.315 3.404 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.259 -10.706 3.149 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.609 -10.924 1.431 1.00 0.00 H new ATOM 548 N PRO A 51 4.163 -9.383 6.011 1.00 0.00 N ATOM 549 CA PRO A 51 4.351 -8.763 7.311 1.00 0.00 C ATOM 550 C PRO A 51 4.706 -7.281 7.239 1.00 0.00 C ATOM 551 O PRO A 51 5.116 -6.695 8.243 1.00 0.00 O ATOM 552 CB PRO A 51 5.513 -9.568 7.881 1.00 0.00 C ATOM 553 CG PRO A 51 6.343 -9.939 6.690 1.00 0.00 C ATOM 554 CD PRO A 51 5.425 -9.933 5.486 1.00 0.00 C ATOM 0 HA PRO A 51 3.440 -8.780 7.909 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.088 -8.980 8.596 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.159 -10.454 8.408 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.160 -9.230 6.555 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.793 -10.922 6.826 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.825 -9.318 4.680 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.287 -10.936 5.083 1.00 0.00 H new ATOM 562 N SER A 52 4.549 -6.667 6.067 1.00 0.00 N ATOM 563 CA SER A 52 4.864 -5.247 5.922 1.00 0.00 C ATOM 564 C SER A 52 4.479 -4.700 4.550 1.00 0.00 C ATOM 565 O SER A 52 3.731 -3.729 4.452 1.00 0.00 O ATOM 566 CB SER A 52 6.355 -5.011 6.165 1.00 0.00 C ATOM 567 OG SER A 52 6.568 -4.282 7.361 1.00 0.00 O ATOM 0 H SER A 52 4.212 -7.121 5.218 1.00 0.00 H new ATOM 0 HA SER A 52 4.274 -4.714 6.667 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.873 -5.968 6.222 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.782 -4.467 5.323 1.00 0.00 H new ATOM 0 HG SER A 52 6.196 -4.780 8.118 1.00 0.00 H new ATOM 573 N TRP A 53 5.015 -5.301 3.495 1.00 0.00 N ATOM 574 CA TRP A 53 4.740 -4.838 2.138 1.00 0.00 C ATOM 575 C TRP A 53 3.684 -5.692 1.442 1.00 0.00 C ATOM 576 O TRP A 53 3.901 -6.876 1.191 1.00 0.00 O ATOM 577 CB TRP A 53 6.024 -4.856 1.310 1.00 0.00 C ATOM 578 CG TRP A 53 6.875 -3.635 1.478 1.00 0.00 C ATOM 579 CD1 TRP A 53 7.860 -3.442 2.402 1.00 0.00 C ATOM 580 CD2 TRP A 53 6.822 -2.439 0.693 1.00 0.00 C ATOM 581 NE1 TRP A 53 8.424 -2.200 2.239 1.00 0.00 N ATOM 582 CE2 TRP A 53 7.802 -1.564 1.196 1.00 0.00 C ATOM 583 CE3 TRP A 53 6.039 -2.024 -0.387 1.00 0.00 C ATOM 584 CZ2 TRP A 53 8.020 -0.299 0.654 1.00 0.00 C ATOM 585 CZ3 TRP A 53 6.256 -0.770 -0.924 1.00 0.00 C ATOM 586 CH2 TRP A 53 7.239 0.080 -0.403 1.00 0.00 C ATOM 0 H TRP A 53 5.639 -6.106 3.550 1.00 0.00 H new ATOM 0 HA TRP A 53 4.355 -3.821 2.216 1.00 0.00 H new ATOM 0 HB2 TRP A 53 6.609 -5.734 1.584 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.764 -4.963 0.257 1.00 0.00 H new ATOM 0 HD1 TRP A 53 8.154 -4.161 3.152 1.00 0.00 H new ATOM 0 HE1 TRP A 53 9.182 -1.814 2.802 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.277 -2.672 -0.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 8.778 0.358 1.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.657 -0.440 -1.760 1.00 0.00 H new ATOM 0 HH2 TRP A 53 7.384 1.055 -0.845 1.00 0.00 H new ATOM 597 N TRP A 54 2.558 -5.073 1.097 1.00 0.00 N ATOM 598 CA TRP A 54 1.490 -5.776 0.389 1.00 0.00 C ATOM 599 C TRP A 54 1.365 -5.239 -1.034 1.00 0.00 C ATOM 600 O TRP A 54 1.522 -4.040 -1.266 1.00 0.00 O ATOM 601 CB TRP A 54 0.132 -5.629 1.089 1.00 0.00 C ATOM 602 CG TRP A 54 0.125 -5.928 2.558 1.00 0.00 C ATOM 603 CD1 TRP A 54 1.016 -6.688 3.249 1.00 0.00 C ATOM 604 CD2 TRP A 54 -0.849 -5.483 3.509 1.00 0.00 C ATOM 605 NE1 TRP A 54 0.652 -6.756 4.572 1.00 0.00 N ATOM 606 CE2 TRP A 54 -0.485 -6.016 4.759 1.00 0.00 C ATOM 607 CE3 TRP A 54 -1.992 -4.683 3.425 1.00 0.00 C ATOM 608 CZ2 TRP A 54 -1.227 -5.777 5.914 1.00 0.00 C ATOM 609 CZ3 TRP A 54 -2.726 -4.446 4.573 1.00 0.00 C ATOM 610 CH2 TRP A 54 -2.340 -4.991 5.803 1.00 0.00 C ATOM 0 H TRP A 54 2.361 -4.092 1.294 1.00 0.00 H new ATOM 0 HA TRP A 54 1.758 -6.832 0.380 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.224 -4.609 0.942 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.583 -6.290 0.599 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.883 -7.168 2.820 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.148 -7.274 5.297 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.297 -4.257 2.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.933 -6.198 6.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.612 -3.830 4.519 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.933 -4.787 6.682 1.00 0.00 H new ATOM 621 N THR A 55 1.075 -6.126 -1.982 1.00 0.00 N ATOM 622 CA THR A 55 0.924 -5.724 -3.377 1.00 0.00 C ATOM 623 C THR A 55 -0.515 -5.310 -3.676 1.00 0.00 C ATOM 624 O THR A 55 -1.457 -6.043 -3.376 1.00 0.00 O ATOM 625 CB THR A 55 1.332 -6.856 -4.339 1.00 0.00 C ATOM 626 OG1 THR A 55 2.502 -7.521 -3.849 1.00 0.00 O ATOM 627 CG2 THR A 55 1.603 -6.307 -5.733 1.00 0.00 C ATOM 0 H THR A 55 0.941 -7.123 -1.811 1.00 0.00 H new ATOM 0 HA THR A 55 1.586 -4.872 -3.533 1.00 0.00 H new ATOM 0 HB THR A 55 0.509 -7.568 -4.397 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.752 -8.240 -4.466 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.890 -7.123 -6.396 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.703 -5.827 -6.116 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.411 -5.577 -5.686 1.00 0.00 H new ATOM 635 N GLY A 56 -0.675 -4.130 -4.268 1.00 0.00 N ATOM 636 CA GLY A 56 -1.999 -3.631 -4.600 1.00 0.00 C ATOM 637 C GLY A 56 -1.957 -2.595 -5.707 1.00 0.00 C ATOM 638 O GLY A 56 -0.929 -2.423 -6.359 1.00 0.00 O ATOM 0 H GLY A 56 0.091 -3.508 -4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.633 -4.463 -4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.454 -3.193 -3.712 1.00 0.00 H new ATOM 642 N ARG A 57 -3.069 -1.899 -5.922 1.00 0.00 N ATOM 643 CA ARG A 57 -3.129 -0.878 -6.963 1.00 0.00 C ATOM 644 C ARG A 57 -4.091 0.244 -6.586 1.00 0.00 C ATOM 645 O ARG A 57 -5.164 0.004 -6.034 1.00 0.00 O ATOM 646 CB ARG A 57 -3.537 -1.495 -8.301 1.00 0.00 C ATOM 647 CG ARG A 57 -4.844 -2.262 -8.240 1.00 0.00 C ATOM 648 CD ARG A 57 -5.779 -1.842 -9.360 1.00 0.00 C ATOM 649 NE ARG A 57 -6.402 -0.548 -9.096 1.00 0.00 N ATOM 650 CZ ARG A 57 -7.680 -0.401 -8.761 1.00 0.00 C ATOM 651 NH1 ARG A 57 -8.467 -1.462 -8.646 1.00 0.00 N ATOM 652 NH2 ARG A 57 -8.173 0.810 -8.538 1.00 0.00 N ATOM 0 H ARG A 57 -3.934 -2.021 -5.395 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.132 -0.450 -7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.624 -0.704 -9.046 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.747 -2.165 -8.639 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.645 -3.331 -8.310 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.325 -2.090 -7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.224 -1.793 -10.297 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.554 -2.598 -9.488 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.825 0.289 -9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.092 -2.396 -8.815 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.447 -1.345 -8.389 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.571 1.629 -8.624 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.154 0.922 -8.281 1.00 0.00 H new ATOM 666 N LEU A 58 -3.688 1.471 -6.898 1.00 0.00 N ATOM 667 CA LEU A 58 -4.491 2.654 -6.604 1.00 0.00 C ATOM 668 C LEU A 58 -4.995 3.282 -7.896 1.00 0.00 C ATOM 669 O LEU A 58 -4.202 3.745 -8.716 1.00 0.00 O ATOM 670 CB LEU A 58 -3.656 3.665 -5.804 1.00 0.00 C ATOM 671 CG LEU A 58 -3.891 5.147 -6.128 1.00 0.00 C ATOM 672 CD1 LEU A 58 -4.195 5.929 -4.859 1.00 0.00 C ATOM 673 CD2 LEU A 58 -2.677 5.732 -6.833 1.00 0.00 C ATOM 0 H LEU A 58 -2.801 1.674 -7.359 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.353 2.360 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.855 3.511 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.601 3.442 -5.966 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.751 5.223 -6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.359 6.977 -5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.090 5.524 -4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.354 5.847 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.858 6.783 -7.057 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.803 5.643 -6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.499 5.189 -7.761 1.00 0.00 H new ATOM 685 N HIS A 59 -6.314 3.288 -8.072 1.00 0.00 N ATOM 686 CA HIS A 59 -6.927 3.854 -9.268 1.00 0.00 C ATOM 687 C HIS A 59 -6.538 3.038 -10.501 1.00 0.00 C ATOM 688 O HIS A 59 -7.329 2.234 -10.994 1.00 0.00 O ATOM 689 CB HIS A 59 -6.521 5.326 -9.421 1.00 0.00 C ATOM 690 CG HIS A 59 -6.646 5.861 -10.813 1.00 0.00 C ATOM 691 ND1 HIS A 59 -7.766 5.683 -11.598 1.00 0.00 N ATOM 692 CD2 HIS A 59 -5.776 6.580 -11.558 1.00 0.00 C ATOM 693 CE1 HIS A 59 -7.579 6.270 -12.768 1.00 0.00 C ATOM 694 NE2 HIS A 59 -6.379 6.822 -12.768 1.00 0.00 N ATOM 0 H HIS A 59 -6.979 2.906 -7.399 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.012 3.811 -9.169 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -7.137 5.931 -8.756 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -5.488 5.441 -9.092 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -4.790 6.904 -11.257 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -8.286 6.294 -13.584 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -5.967 7.344 -13.542 1.00 0.00 H new ATOM 703 N ASN A 60 -5.316 3.238 -10.994 1.00 0.00 N ATOM 704 CA ASN A 60 -4.840 2.505 -12.162 1.00 0.00 C ATOM 705 C ASN A 60 -3.339 2.238 -12.085 1.00 0.00 C ATOM 706 O ASN A 60 -2.725 1.821 -13.068 1.00 0.00 O ATOM 707 CB ASN A 60 -5.170 3.275 -13.442 1.00 0.00 C ATOM 708 CG ASN A 60 -5.825 2.399 -14.491 1.00 0.00 C ATOM 709 OD1 ASN A 60 -6.605 1.503 -14.170 1.00 0.00 O ATOM 710 ND2 ASN A 60 -5.510 2.656 -15.756 1.00 0.00 N ATOM 0 H ASN A 60 -4.643 3.898 -10.604 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.351 1.542 -12.179 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.833 4.107 -13.202 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.255 3.704 -13.851 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.920 2.100 -16.507 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.858 3.409 -15.976 1.00 0.00 H new ATOM 717 N LYS A 61 -2.757 2.463 -10.913 1.00 0.00 N ATOM 718 CA LYS A 61 -1.335 2.228 -10.713 1.00 0.00 C ATOM 719 C LYS A 61 -1.133 0.923 -9.955 1.00 0.00 C ATOM 720 O LYS A 61 -1.697 0.735 -8.882 1.00 0.00 O ATOM 721 CB LYS A 61 -0.711 3.387 -9.933 1.00 0.00 C ATOM 722 CG LYS A 61 -0.818 4.726 -10.645 1.00 0.00 C ATOM 723 CD LYS A 61 -0.526 5.882 -9.704 1.00 0.00 C ATOM 724 CE LYS A 61 0.378 6.915 -10.355 1.00 0.00 C ATOM 725 NZ LYS A 61 -0.267 7.551 -11.537 1.00 0.00 N ATOM 0 H LYS A 61 -3.249 2.808 -10.088 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.847 2.159 -11.685 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.196 3.462 -8.960 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.340 3.166 -9.749 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.120 4.751 -11.482 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.819 4.839 -11.062 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.462 6.353 -9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.054 5.504 -8.797 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.636 7.683 -9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.310 6.440 -10.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.361 8.285 -11.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.445 6.830 -12.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.169 7.983 -11.250 1.00 0.00 H new ATOM 739 N LEU A 62 -0.336 0.023 -10.517 1.00 0.00 N ATOM 740 CA LEU A 62 -0.085 -1.266 -9.879 1.00 0.00 C ATOM 741 C LEU A 62 1.310 -1.322 -9.273 1.00 0.00 C ATOM 742 O LEU A 62 2.286 -0.899 -9.891 1.00 0.00 O ATOM 743 CB LEU A 62 -0.263 -2.403 -10.887 1.00 0.00 C ATOM 744 CG LEU A 62 -1.507 -2.297 -11.772 1.00 0.00 C ATOM 745 CD1 LEU A 62 -1.130 -1.835 -13.171 1.00 0.00 C ATOM 746 CD2 LEU A 62 -2.238 -3.631 -11.827 1.00 0.00 C ATOM 0 H LEU A 62 0.145 0.159 -11.406 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.810 -1.385 -9.074 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.618 -2.441 -11.528 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.302 -3.347 -10.343 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.177 -1.556 -11.336 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.028 -1.766 -13.786 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.652 -0.857 -13.115 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.439 -2.551 -13.617 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.120 -3.537 -12.461 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.575 -4.392 -12.238 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.543 -3.920 -10.821 1.00 0.00 H new ATOM 758 N GLY A 63 1.393 -1.855 -8.057 1.00 0.00 N ATOM 759 CA GLY A 63 2.671 -1.967 -7.383 1.00 0.00 C ATOM 760 C GLY A 63 2.530 -2.267 -5.904 1.00 0.00 C ATOM 761 O GLY A 63 1.425 -2.477 -5.408 1.00 0.00 O ATOM 0 H GLY A 63 0.597 -2.211 -7.528 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.258 -2.755 -7.855 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.226 -1.037 -7.509 1.00 0.00 H new ATOM 765 N LEU A 64 3.655 -2.290 -5.199 1.00 0.00 N ATOM 766 CA LEU A 64 3.658 -2.568 -3.766 1.00 0.00 C ATOM 767 C LEU A 64 3.571 -1.274 -2.962 1.00 0.00 C ATOM 768 O LEU A 64 3.971 -0.211 -3.436 1.00 0.00 O ATOM 769 CB LEU A 64 4.919 -3.348 -3.382 1.00 0.00 C ATOM 770 CG LEU A 64 5.708 -3.927 -4.559 1.00 0.00 C ATOM 771 CD1 LEU A 64 7.115 -4.302 -4.126 1.00 0.00 C ATOM 772 CD2 LEU A 64 4.989 -5.134 -5.141 1.00 0.00 C ATOM 0 H LEU A 64 4.579 -2.119 -5.596 1.00 0.00 H new ATOM 0 HA LEU A 64 2.783 -3.174 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.576 -2.690 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.634 -4.165 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 64 5.780 -3.163 -5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.660 -4.712 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.631 -3.415 -3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.065 -5.048 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.564 -5.532 -5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.886 -5.901 -4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.001 -4.835 -5.491 1.00 0.00 H new ATOM 784 N PHE A 65 3.042 -1.368 -1.745 1.00 0.00 N ATOM 785 CA PHE A 65 2.900 -0.199 -0.882 1.00 0.00 C ATOM 786 C PHE A 65 3.212 -0.546 0.574 1.00 0.00 C ATOM 787 O PHE A 65 3.212 -1.719 0.954 1.00 0.00 O ATOM 788 CB PHE A 65 1.477 0.369 -0.993 1.00 0.00 C ATOM 789 CG PHE A 65 0.487 -0.298 -0.082 1.00 0.00 C ATOM 790 CD1 PHE A 65 0.339 0.135 1.223 1.00 0.00 C ATOM 791 CD2 PHE A 65 -0.282 -1.360 -0.525 1.00 0.00 C ATOM 792 CE1 PHE A 65 -0.554 -0.474 2.073 1.00 0.00 C ATOM 793 CE2 PHE A 65 -1.182 -1.979 0.321 1.00 0.00 C ATOM 794 CZ PHE A 65 -1.319 -1.535 1.625 1.00 0.00 C ATOM 0 H PHE A 65 2.705 -2.239 -1.335 1.00 0.00 H new ATOM 0 HA PHE A 65 3.615 0.554 -1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.503 1.435 -0.768 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.135 0.268 -2.023 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.933 0.963 1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.178 -1.708 -1.542 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.658 -0.124 3.089 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.777 -2.807 -0.034 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.021 -2.016 2.290 1.00 0.00 H new ATOM 804 N PRO A 66 3.473 0.476 1.416 1.00 0.00 N ATOM 805 CA PRO A 66 3.776 0.275 2.837 1.00 0.00 C ATOM 806 C PRO A 66 2.516 0.065 3.674 1.00 0.00 C ATOM 807 O PRO A 66 1.735 0.994 3.879 1.00 0.00 O ATOM 808 CB PRO A 66 4.443 1.592 3.218 1.00 0.00 C ATOM 809 CG PRO A 66 3.743 2.596 2.375 1.00 0.00 C ATOM 810 CD PRO A 66 3.492 1.915 1.058 1.00 0.00 C ATOM 0 HA PRO A 66 4.386 -0.611 3.012 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.325 1.808 4.280 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.513 1.573 3.013 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.808 2.912 2.837 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.352 3.490 2.244 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.548 2.232 0.615 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.275 2.139 0.334 1.00 0.00 H new ATOM 818 N ALA A 67 2.320 -1.158 4.157 1.00 0.00 N ATOM 819 CA ALA A 67 1.149 -1.475 4.968 1.00 0.00 C ATOM 820 C ALA A 67 1.222 -0.801 6.334 1.00 0.00 C ATOM 821 O ALA A 67 0.257 -0.823 7.098 1.00 0.00 O ATOM 822 CB ALA A 67 1.006 -2.979 5.130 1.00 0.00 C ATOM 0 H ALA A 67 2.953 -1.942 4.002 1.00 0.00 H new ATOM 0 HA ALA A 67 0.271 -1.091 4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.128 -3.198 5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.893 -3.441 4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.894 -3.378 5.620 1.00 0.00 H new ATOM 828 N ASN A 68 2.370 -0.203 6.637 1.00 0.00 N ATOM 829 CA ASN A 68 2.562 0.478 7.912 1.00 0.00 C ATOM 830 C ASN A 68 2.260 1.969 7.782 1.00 0.00 C ATOM 831 O ASN A 68 1.802 2.603 8.732 1.00 0.00 O ATOM 832 CB ASN A 68 3.991 0.259 8.425 1.00 0.00 C ATOM 833 CG ASN A 68 4.716 1.557 8.733 1.00 0.00 C ATOM 834 OD1 ASN A 68 4.929 1.899 9.896 1.00 0.00 O ATOM 835 ND2 ASN A 68 5.101 2.283 7.689 1.00 0.00 N ATOM 0 H ASN A 68 3.180 -0.176 6.018 1.00 0.00 H new ATOM 0 HA ASN A 68 1.865 0.054 8.635 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.958 -0.355 9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.557 -0.299 7.679 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.595 3.163 7.834 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.903 1.960 6.742 1.00 0.00 H new ATOM 842 N TYR A 69 2.518 2.522 6.597 1.00 0.00 N ATOM 843 CA TYR A 69 2.270 3.937 6.347 1.00 0.00 C ATOM 844 C TYR A 69 0.776 4.211 6.237 1.00 0.00 C ATOM 845 O TYR A 69 0.279 5.209 6.759 1.00 0.00 O ATOM 846 CB TYR A 69 2.980 4.389 5.070 1.00 0.00 C ATOM 847 CG TYR A 69 3.730 5.695 5.220 1.00 0.00 C ATOM 848 CD1 TYR A 69 4.767 5.822 6.135 1.00 0.00 C ATOM 849 CD2 TYR A 69 3.401 6.798 4.443 1.00 0.00 C ATOM 850 CE1 TYR A 69 5.455 7.013 6.273 1.00 0.00 C ATOM 851 CE2 TYR A 69 4.084 7.992 4.575 1.00 0.00 C ATOM 852 CZ TYR A 69 5.110 8.095 5.491 1.00 0.00 C ATOM 853 OH TYR A 69 5.793 9.282 5.625 1.00 0.00 O ATOM 0 H TYR A 69 2.897 2.012 5.799 1.00 0.00 H new ATOM 0 HA TYR A 69 2.667 4.504 7.189 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.679 3.613 4.759 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.244 4.493 4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.040 4.976 6.749 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.599 6.721 3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.259 7.096 6.990 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.816 8.841 3.964 1.00 0.00 H new ATOM 0 HH TYR A 69 5.427 9.942 5.000 1.00 0.00 H new ATOM 863 N VAL A 70 0.060 3.320 5.555 1.00 0.00 N ATOM 864 CA VAL A 70 -1.380 3.480 5.384 1.00 0.00 C ATOM 865 C VAL A 70 -2.138 2.260 5.916 1.00 0.00 C ATOM 866 O VAL A 70 -1.589 1.159 5.984 1.00 0.00 O ATOM 867 CB VAL A 70 -1.739 3.710 3.900 1.00 0.00 C ATOM 868 CG1 VAL A 70 -0.640 4.498 3.201 1.00 0.00 C ATOM 869 CG2 VAL A 70 -1.984 2.391 3.186 1.00 0.00 C ATOM 0 H VAL A 70 0.450 2.486 5.115 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.680 4.356 5.959 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.661 4.290 3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.910 4.651 2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.519 5.465 3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.297 3.943 3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.235 2.583 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.084 1.778 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.809 1.865 3.667 1.00 0.00 H new ATOM 879 N ALA A 71 -3.398 2.466 6.300 1.00 0.00 N ATOM 880 CA ALA A 71 -4.225 1.384 6.838 1.00 0.00 C ATOM 881 C ALA A 71 -5.473 1.157 5.983 1.00 0.00 C ATOM 882 O ALA A 71 -5.976 2.086 5.352 1.00 0.00 O ATOM 883 CB ALA A 71 -4.618 1.691 8.276 1.00 0.00 C ATOM 0 H ALA A 71 -3.868 3.370 6.249 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.636 0.467 6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.233 0.880 8.666 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.720 1.791 8.885 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.183 2.622 8.308 1.00 0.00 H new ATOM 889 N PRO A 72 -5.986 -0.091 5.940 1.00 0.00 N ATOM 890 CA PRO A 72 -7.172 -0.436 5.144 1.00 0.00 C ATOM 891 C PRO A 72 -8.411 0.361 5.509 1.00 0.00 C ATOM 892 O PRO A 72 -8.383 1.236 6.376 1.00 0.00 O ATOM 893 CB PRO A 72 -7.394 -1.920 5.436 1.00 0.00 C ATOM 894 CG PRO A 72 -6.069 -2.417 5.882 1.00 0.00 C ATOM 895 CD PRO A 72 -5.448 -1.275 6.641 1.00 0.00 C ATOM 0 HA PRO A 72 -7.005 -0.208 4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.151 -2.063 6.207 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.738 -2.451 4.549 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.173 -3.299 6.514 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.451 -2.706 5.032 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.731 -1.286 7.693 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.359 -1.308 6.604 1.00 0.00 H new ATOM 903 N MET A 73 -9.497 0.048 4.815 1.00 0.00 N ATOM 904 CA MET A 73 -10.770 0.715 5.016 1.00 0.00 C ATOM 905 C MET A 73 -11.921 -0.258 4.781 1.00 0.00 C ATOM 906 O MET A 73 -12.299 -0.520 3.638 1.00 0.00 O ATOM 907 CB MET A 73 -10.878 1.891 4.051 1.00 0.00 C ATOM 908 CG MET A 73 -11.793 3.004 4.536 1.00 0.00 C ATOM 909 SD MET A 73 -12.658 3.830 3.189 1.00 0.00 S ATOM 910 CE MET A 73 -13.769 2.531 2.652 1.00 0.00 C ATOM 0 H MET A 73 -9.517 -0.676 4.097 1.00 0.00 H new ATOM 0 HA MET A 73 -10.828 1.077 6.042 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.883 2.301 3.880 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.242 1.528 3.090 1.00 0.00 H new ATOM 0 HG2 MET A 73 -12.523 2.591 5.232 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.205 3.737 5.088 1.00 0.00 H new ATOM 0 HE1 MET A 73 -14.631 2.973 2.152 1.00 0.00 H new ATOM 0 HE2 MET A 73 -13.248 1.869 1.960 1.00 0.00 H new ATOM 0 HE3 MET A 73 -14.106 1.959 3.517 1.00 0.00 H new ATOM 975 N PRO B 77 5.046 6.323 10.679 1.00 0.00 N ATOM 976 CA PRO B 77 5.132 4.919 10.262 1.00 0.00 C ATOM 977 C PRO B 77 6.418 4.623 9.496 1.00 0.00 C ATOM 978 O PRO B 77 6.765 5.329 8.551 1.00 0.00 O ATOM 979 CB PRO B 77 3.912 4.742 9.354 1.00 0.00 C ATOM 980 CG PRO B 77 2.948 5.776 9.817 1.00 0.00 C ATOM 981 CD PRO B 77 3.784 6.950 10.240 1.00 0.00 C ATOM 0 HA PRO B 77 5.145 4.239 11.114 1.00 0.00 H new ATOM 0 HB2 PRO B 77 4.174 4.885 8.306 1.00 0.00 H new ATOM 0 HB3 PRO B 77 3.493 3.740 9.444 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.258 6.053 9.020 1.00 0.00 H new ATOM 0 HG3 PRO B 77 2.345 5.406 10.646 1.00 0.00 H new ATOM 0 HD2 PRO B 77 3.945 7.647 9.418 1.00 0.00 H new ATOM 0 HD3 PRO B 77 3.311 7.512 11.046 1.00 0.00 H new ATOM 989 N SER B 78 7.122 3.577 9.917 1.00 0.00 N ATOM 990 CA SER B 78 8.373 3.190 9.276 1.00 0.00 C ATOM 991 C SER B 78 8.251 1.834 8.597 1.00 0.00 C ATOM 992 O SER B 78 7.960 0.825 9.242 1.00 0.00 O ATOM 993 CB SER B 78 9.504 3.168 10.303 1.00 0.00 C ATOM 994 OG SER B 78 9.402 2.037 11.151 1.00 0.00 O ATOM 0 H SER B 78 6.847 2.983 10.699 1.00 0.00 H new ATOM 0 HA SER B 78 8.601 3.929 8.508 1.00 0.00 H new ATOM 0 HB2 SER B 78 10.465 3.156 9.789 1.00 0.00 H new ATOM 0 HB3 SER B 78 9.474 4.079 10.901 1.00 0.00 H new ATOM 0 HG SER B 78 8.776 1.392 10.762 1.00 0.00 H new ATOM 1000 N ILE B 79 8.472 1.823 7.288 1.00 0.00 N ATOM 1001 CA ILE B 79 8.387 0.600 6.506 1.00 0.00 C ATOM 1002 C ILE B 79 9.745 0.225 5.912 1.00 0.00 C ATOM 1003 O ILE B 79 10.459 1.075 5.380 1.00 0.00 O ATOM 1004 CB ILE B 79 7.328 0.737 5.384 1.00 0.00 C ATOM 1005 CG1 ILE B 79 6.077 -0.066 5.748 1.00 0.00 C ATOM 1006 CG2 ILE B 79 7.880 0.297 4.032 1.00 0.00 C ATOM 1007 CD1 ILE B 79 6.254 -1.565 5.635 1.00 0.00 C ATOM 0 H ILE B 79 8.712 2.653 6.745 1.00 0.00 H new ATOM 0 HA ILE B 79 8.079 -0.200 7.179 1.00 0.00 H new ATOM 0 HB ILE B 79 7.061 1.790 5.295 1.00 0.00 H new ATOM 0 HG12 ILE B 79 5.785 0.179 6.769 1.00 0.00 H new ATOM 0 HG13 ILE B 79 5.258 0.243 5.099 1.00 0.00 H new ATOM 0 HG21 ILE B 79 7.108 0.408 3.270 1.00 0.00 H new ATOM 0 HG22 ILE B 79 8.739 0.916 3.771 1.00 0.00 H new ATOM 0 HG23 ILE B 79 8.188 -0.747 4.087 1.00 0.00 H new ATOM 0 HD11 ILE B 79 5.324 -2.063 5.909 1.00 0.00 H new ATOM 0 HD12 ILE B 79 6.515 -1.824 4.609 1.00 0.00 H new ATOM 0 HD13 ILE B 79 7.050 -1.889 6.305 1.00 0.00 H new ATOM 1019 N ASP B 80 10.086 -1.056 6.005 1.00 0.00 N ATOM 1020 CA ASP B 80 11.352 -1.558 5.476 1.00 0.00 C ATOM 1021 C ASP B 80 11.122 -2.353 4.192 1.00 0.00 C ATOM 1022 O ASP B 80 10.301 -3.269 4.159 1.00 0.00 O ATOM 1023 CB ASP B 80 12.054 -2.433 6.514 1.00 0.00 C ATOM 1024 CG ASP B 80 12.160 -1.755 7.867 1.00 0.00 C ATOM 1025 OD1 ASP B 80 12.428 -0.536 7.901 1.00 0.00 O ATOM 1026 OD2 ASP B 80 11.973 -2.444 8.892 1.00 0.00 O ATOM 0 H ASP B 80 9.502 -1.769 6.443 1.00 0.00 H new ATOM 0 HA ASP B 80 11.988 -0.703 5.247 1.00 0.00 H new ATOM 0 HB2 ASP B 80 11.509 -3.371 6.623 1.00 0.00 H new ATOM 0 HB3 ASP B 80 13.053 -2.684 6.157 1.00 0.00 H new ATOM 1031 N ARG B 81 11.848 -1.993 3.139 1.00 0.00 N ATOM 1032 CA ARG B 81 11.718 -2.671 1.852 1.00 0.00 C ATOM 1033 C ARG B 81 12.440 -4.017 1.858 1.00 0.00 C ATOM 1034 O ARG B 81 12.361 -4.777 0.893 1.00 0.00 O ATOM 1035 CB ARG B 81 12.274 -1.794 0.728 1.00 0.00 C ATOM 1036 CG ARG B 81 11.885 -0.330 0.845 1.00 0.00 C ATOM 1037 CD ARG B 81 11.403 0.225 -0.487 1.00 0.00 C ATOM 1038 NE ARG B 81 12.390 0.045 -1.549 1.00 0.00 N ATOM 1039 CZ ARG B 81 13.553 0.689 -1.594 1.00 0.00 C ATOM 1040 NH1 ARG B 81 13.878 1.544 -0.633 1.00 0.00 N ATOM 1041 NH2 ARG B 81 14.394 0.474 -2.597 1.00 0.00 N ATOM 0 H ARG B 81 12.532 -1.237 3.150 1.00 0.00 H new ATOM 0 HA ARG B 81 10.657 -2.850 1.679 1.00 0.00 H new ATOM 0 HB2 ARG B 81 13.361 -1.872 0.722 1.00 0.00 H new ATOM 0 HB3 ARG B 81 11.922 -2.179 -0.229 1.00 0.00 H new ATOM 0 HG2 ARG B 81 11.099 -0.219 1.592 1.00 0.00 H new ATOM 0 HG3 ARG B 81 12.740 0.249 1.194 1.00 0.00 H new ATOM 0 HD2 ARG B 81 10.473 -0.269 -0.770 1.00 0.00 H new ATOM 0 HD3 ARG B 81 11.179 1.286 -0.377 1.00 0.00 H new ATOM 0 HE ARG B 81 12.175 -0.612 -2.299 1.00 0.00 H new ATOM 0 HH11 ARG B 81 13.236 1.708 0.142 1.00 0.00 H new ATOM 0 HH12 ARG B 81 14.770 2.037 -0.669 1.00 0.00 H new ATOM 0 HH21 ARG B 81 14.149 -0.186 -3.335 1.00 0.00 H new ATOM 0 HH22 ARG B 81 15.285 0.969 -2.630 1.00 0.00 H new ATOM 1055 N SER B 82 13.148 -4.304 2.946 1.00 0.00 N ATOM 1056 CA SER B 82 13.888 -5.556 3.068 1.00 0.00 C ATOM 1057 C SER B 82 12.952 -6.731 3.341 1.00 0.00 C ATOM 1058 O SER B 82 13.400 -7.867 3.500 1.00 0.00 O ATOM 1059 CB SER B 82 14.927 -5.448 4.185 1.00 0.00 C ATOM 1060 OG SER B 82 16.243 -5.565 3.670 1.00 0.00 O ATOM 0 H SER B 82 13.225 -3.688 3.755 1.00 0.00 H new ATOM 0 HA SER B 82 14.394 -5.738 2.120 1.00 0.00 H new ATOM 0 HB2 SER B 82 14.817 -4.492 4.697 1.00 0.00 H new ATOM 0 HB3 SER B 82 14.752 -6.228 4.926 1.00 0.00 H new ATOM 0 HG SER B 82 16.889 -5.491 4.403 1.00 0.00 H new ATOM 1066 N THR B 83 11.652 -6.456 3.393 1.00 0.00 N ATOM 1067 CA THR B 83 10.661 -7.495 3.648 1.00 0.00 C ATOM 1068 C THR B 83 9.537 -7.457 2.612 1.00 0.00 C ATOM 1069 O THR B 83 8.412 -7.877 2.882 1.00 0.00 O ATOM 1070 CB THR B 83 10.061 -7.363 5.061 1.00 0.00 C ATOM 1071 OG1 THR B 83 9.087 -8.389 5.284 1.00 0.00 O ATOM 1072 CG2 THR B 83 9.420 -5.998 5.251 1.00 0.00 C ATOM 0 H THR B 83 11.261 -5.523 3.262 1.00 0.00 H new ATOM 0 HA THR B 83 11.178 -8.452 3.573 1.00 0.00 H new ATOM 0 HB THR B 83 10.870 -7.472 5.783 1.00 0.00 H new ATOM 0 HG1 THR B 83 8.467 -8.422 4.526 1.00 0.00 H new ATOM 0 HG21 THR B 83 9.003 -5.928 6.256 1.00 0.00 H new ATOM 0 HG22 THR B 83 10.172 -5.221 5.115 1.00 0.00 H new ATOM 0 HG23 THR B 83 8.624 -5.865 4.518 1.00 0.00 H new ATOM 1080 N LYS B 84 9.854 -6.950 1.423 1.00 0.00 N ATOM 1081 CA LYS B 84 8.884 -6.855 0.339 1.00 0.00 C ATOM 1082 C LYS B 84 8.308 -8.232 0.001 1.00 0.00 C ATOM 1083 O LYS B 84 8.881 -9.255 0.378 1.00 0.00 O ATOM 1084 CB LYS B 84 9.561 -6.249 -0.891 1.00 0.00 C ATOM 1085 CG LYS B 84 9.199 -4.792 -1.131 1.00 0.00 C ATOM 1086 CD LYS B 84 10.432 -3.951 -1.419 1.00 0.00 C ATOM 1087 CE LYS B 84 10.889 -4.108 -2.861 1.00 0.00 C ATOM 1088 NZ LYS B 84 11.713 -5.334 -3.050 1.00 0.00 N ATOM 0 H LYS B 84 10.781 -6.597 1.187 1.00 0.00 H new ATOM 0 HA LYS B 84 8.060 -6.215 0.656 1.00 0.00 H new ATOM 0 HB2 LYS B 84 10.642 -6.332 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS B 84 9.287 -6.832 -1.770 1.00 0.00 H new ATOM 0 HG2 LYS B 84 8.506 -4.722 -1.969 1.00 0.00 H new ATOM 0 HG3 LYS B 84 8.683 -4.395 -0.256 1.00 0.00 H new ATOM 0 HD2 LYS B 84 10.214 -2.902 -1.218 1.00 0.00 H new ATOM 0 HD3 LYS B 84 11.239 -4.244 -0.747 1.00 0.00 H new ATOM 0 HE2 LYS B 84 10.018 -4.151 -3.516 1.00 0.00 H new ATOM 0 HE3 LYS B 84 11.467 -3.232 -3.156 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 12.264 -5.250 -3.928 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 12.361 -5.444 -2.244 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 11.090 -6.165 -3.110 1.00 0.00 H new ATOM 1102 N PRO B 85 7.160 -8.282 -0.711 1.00 0.00 N ATOM 1103 CA PRO B 85 6.520 -9.548 -1.088 1.00 0.00 C ATOM 1104 C PRO B 85 7.510 -10.562 -1.649 1.00 0.00 C ATOM 1105 O PRO B 85 8.203 -10.291 -2.630 1.00 0.00 O ATOM 1106 CB PRO B 85 5.522 -9.127 -2.164 1.00 0.00 C ATOM 1107 CG PRO B 85 5.163 -7.724 -1.816 1.00 0.00 C ATOM 1108 CD PRO B 85 6.397 -7.115 -1.202 1.00 0.00 C ATOM 0 HA PRO B 85 6.066 -10.045 -0.231 1.00 0.00 H new ATOM 0 HB2 PRO B 85 5.963 -9.188 -3.159 1.00 0.00 H new ATOM 0 HB3 PRO B 85 4.644 -9.772 -2.164 1.00 0.00 H new ATOM 0 HG2 PRO B 85 4.855 -7.170 -2.702 1.00 0.00 H new ATOM 0 HG3 PRO B 85 4.327 -7.698 -1.117 1.00 0.00 H new ATOM 0 HD2 PRO B 85 6.968 -6.543 -1.934 1.00 0.00 H new ATOM 0 HD3 PRO B 85 6.145 -6.432 -0.391 1.00 0.00 H new ATOM 1116 N ALA B 86 7.571 -11.730 -1.019 1.00 0.00 N ATOM 1117 CA ALA B 86 8.475 -12.788 -1.451 1.00 0.00 C ATOM 1118 C ALA B 86 7.872 -14.164 -1.189 1.00 0.00 C ATOM 1119 O ALA B 86 6.636 -14.245 -1.026 1.00 0.00 O ATOM 1120 CB ALA B 86 9.819 -12.655 -0.749 1.00 0.00 C ATOM 1121 OXT ALA B 86 8.639 -15.149 -1.149 1.00 0.00 O ATOM 0 H ALA B 86 7.003 -11.968 -0.206 1.00 0.00 H new ATOM 0 HA ALA B 86 8.629 -12.685 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA B 86 10.484 -13.452 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA B 86 10.262 -11.689 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA B 86 9.675 -12.729 0.329 1.00 0.00 H new