USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 543 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 TYR OH : rot -83:sc= 0.808 USER MOD Set 1.2: A 37 LYS NZ :NH3+ -159:sc= -0.823 (180deg=-2.12!) USER MOD Set 2.1: A 19 LYS NZ :NH3+ -142:sc= -0.461 (180deg=-1.61!) USER MOD Set 2.2: A 21 TYR OH : rot -46:sc= -0.338 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -124:sc= -1.28 (180deg=-5.24!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.483 K(o=0.48,f=-3.7!) USER MOD Single : A 28 MET CE :methyl -129:sc= -0.0447 (180deg=-0.189) USER MOD Single : A 36 SER OG : rot 80:sc= -0.178 USER MOD Single : A 43 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-0.78) USER MOD Single : A 44 ASN : amide:sc= -3.71 K(o=-3.7,f=-12!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -124:sc= -1.6 (180deg=-3.47!) USER MOD Single : A 59 ASN : amide:sc= -0.144 K(o=-0.14,f=-3.9!) USER MOD Single : A 60 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.7) USER MOD Single : A 65 THR OG1 : rot 160:sc= -15.8! USER MOD Single : A 71 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 94 N ASP A 7 -3.593 10.208 7.237 1.00 0.00 N ATOM 95 CA ASP A 7 -4.540 10.046 6.136 1.00 0.00 C ATOM 96 C ASP A 7 -4.906 11.404 5.532 1.00 0.00 C ATOM 97 O ASP A 7 -5.330 11.493 4.380 1.00 0.00 O ATOM 98 CB ASP A 7 -5.804 9.332 6.620 1.00 0.00 C ATOM 99 CG ASP A 7 -6.572 10.141 7.647 1.00 0.00 C ATOM 100 OD1 ASP A 7 -5.926 10.772 8.509 1.00 0.00 O ATOM 101 OD2 ASP A 7 -7.820 10.145 7.589 1.00 0.00 O ATOM 0 HA ASP A 7 -4.064 9.439 5.365 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.451 9.127 5.767 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.531 8.369 7.052 1.00 0.00 H new ATOM 106 N GLU A 8 -4.734 12.460 6.327 1.00 0.00 N ATOM 107 CA GLU A 8 -5.035 13.821 5.898 1.00 0.00 C ATOM 108 C GLU A 8 -4.331 14.164 4.589 1.00 0.00 C ATOM 109 O GLU A 8 -4.968 14.525 3.605 1.00 0.00 O ATOM 110 CB GLU A 8 -4.590 14.803 6.979 1.00 0.00 C ATOM 111 CG GLU A 8 -5.307 14.616 8.305 1.00 0.00 C ATOM 112 CD GLU A 8 -4.539 15.208 9.471 1.00 0.00 C ATOM 113 OE1 GLU A 8 -3.964 16.304 9.307 1.00 0.00 O ATOM 114 OE2 GLU A 8 -4.511 14.574 10.547 1.00 0.00 O ATOM 0 H GLU A 8 -4.383 12.394 7.283 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.110 13.894 5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.517 14.694 7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.758 15.820 6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.292 15.080 8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.465 13.552 8.482 1.00 0.00 H new ATOM 121 N GLU A 9 -3.011 14.058 4.582 1.00 0.00 N ATOM 122 CA GLU A 9 -2.236 14.370 3.388 1.00 0.00 C ATOM 123 C GLU A 9 -2.712 13.549 2.192 1.00 0.00 C ATOM 124 O GLU A 9 -2.535 13.953 1.042 1.00 0.00 O ATOM 125 CB GLU A 9 -0.750 14.110 3.638 1.00 0.00 C ATOM 126 CG GLU A 9 0.169 14.907 2.725 1.00 0.00 C ATOM 127 CD GLU A 9 1.552 14.296 2.613 1.00 0.00 C ATOM 128 OE1 GLU A 9 1.647 13.101 2.264 1.00 0.00 O ATOM 129 OE2 GLU A 9 2.540 15.013 2.876 1.00 0.00 O ATOM 0 H GLU A 9 -2.455 13.760 5.384 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.383 15.426 3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.517 14.351 4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.548 13.047 3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.277 14.971 1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.255 15.926 3.102 1.00 0.00 H new ATOM 136 N TRP A 10 -3.302 12.389 2.466 1.00 0.00 N ATOM 137 CA TRP A 10 -3.782 11.507 1.402 1.00 0.00 C ATOM 138 C TRP A 10 -5.172 11.875 0.873 1.00 0.00 C ATOM 139 O TRP A 10 -5.522 11.486 -0.241 1.00 0.00 O ATOM 140 CB TRP A 10 -3.782 10.045 1.844 1.00 0.00 C ATOM 141 CG TRP A 10 -4.090 9.111 0.717 1.00 0.00 C ATOM 142 CD1 TRP A 10 -5.324 8.723 0.298 1.00 0.00 C ATOM 143 CD2 TRP A 10 -3.148 8.457 -0.144 1.00 0.00 C ATOM 144 NE1 TRP A 10 -5.215 7.880 -0.778 1.00 0.00 N ATOM 145 CE2 TRP A 10 -3.889 7.693 -1.064 1.00 0.00 C ATOM 146 CE3 TRP A 10 -1.753 8.444 -0.226 1.00 0.00 C ATOM 147 CZ2 TRP A 10 -3.281 6.926 -2.056 1.00 0.00 C ATOM 148 CZ3 TRP A 10 -1.150 7.681 -1.210 1.00 0.00 C ATOM 149 CH2 TRP A 10 -1.914 6.931 -2.113 1.00 0.00 C ATOM 0 H TRP A 10 -3.460 12.037 3.410 1.00 0.00 H new ATOM 0 HA TRP A 10 -3.076 11.646 0.583 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -2.808 9.795 2.264 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -4.516 9.908 2.638 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.255 9.034 0.748 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -5.995 7.460 -1.283 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.156 9.019 0.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -3.868 6.348 -2.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.073 7.663 -1.283 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -1.414 6.345 -2.870 1.00 0.00 H new ATOM 160 N VAL A 11 -5.979 12.596 1.652 1.00 0.00 N ATOM 161 CA VAL A 11 -7.308 12.946 1.195 1.00 0.00 C ATOM 162 C VAL A 11 -7.198 13.936 0.077 1.00 0.00 C ATOM 163 O VAL A 11 -7.921 13.853 -0.917 1.00 0.00 O ATOM 164 CB VAL A 11 -8.216 13.519 2.307 1.00 0.00 C ATOM 165 CG1 VAL A 11 -7.523 14.624 3.084 1.00 0.00 C ATOM 166 CG2 VAL A 11 -9.513 14.027 1.700 1.00 0.00 C ATOM 0 H VAL A 11 -5.736 12.939 2.581 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.780 12.023 0.858 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.437 12.717 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.193 15.001 3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.619 14.230 3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.259 15.435 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.150 14.430 2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.293 14.810 0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.028 13.206 1.202 1.00 0.00 H new ATOM 176 N GLU A 12 -6.272 14.863 0.221 1.00 0.00 N ATOM 177 CA GLU A 12 -6.076 15.837 -0.809 1.00 0.00 C ATOM 178 C GLU A 12 -5.752 15.107 -2.107 1.00 0.00 C ATOM 179 O GLU A 12 -6.083 15.553 -3.206 1.00 0.00 O ATOM 180 CB GLU A 12 -4.958 16.815 -0.439 1.00 0.00 C ATOM 181 CG GLU A 12 -5.468 18.152 0.078 1.00 0.00 C ATOM 182 CD GLU A 12 -4.344 19.084 0.488 1.00 0.00 C ATOM 183 OE1 GLU A 12 -3.197 18.862 0.049 1.00 0.00 O ATOM 184 OE2 GLU A 12 -4.613 20.037 1.250 1.00 0.00 O ATOM 0 H GLU A 12 -5.658 14.954 1.030 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.986 16.425 -0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.324 16.359 0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.333 16.988 -1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.069 18.631 -0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.124 17.981 0.932 1.00 0.00 H new ATOM 191 N TYR A 13 -5.111 13.956 -1.934 1.00 0.00 N ATOM 192 CA TYR A 13 -4.722 13.081 -3.034 1.00 0.00 C ATOM 193 C TYR A 13 -5.917 12.294 -3.571 1.00 0.00 C ATOM 194 O TYR A 13 -6.078 12.129 -4.780 1.00 0.00 O ATOM 195 CB TYR A 13 -3.634 12.116 -2.563 1.00 0.00 C ATOM 196 CG TYR A 13 -2.231 12.640 -2.767 1.00 0.00 C ATOM 197 CD1 TYR A 13 -1.848 13.871 -2.249 1.00 0.00 C ATOM 198 CD2 TYR A 13 -1.289 11.905 -3.474 1.00 0.00 C ATOM 199 CE1 TYR A 13 -0.565 14.354 -2.430 1.00 0.00 C ATOM 200 CE2 TYR A 13 -0.005 12.380 -3.660 1.00 0.00 C ATOM 201 CZ TYR A 13 0.352 13.604 -3.138 1.00 0.00 C ATOM 202 OH TYR A 13 1.629 14.082 -3.320 1.00 0.00 O ATOM 0 H TYR A 13 -4.844 13.601 -1.016 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.339 13.703 -3.843 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.783 11.902 -1.505 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.741 11.172 -3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.564 14.460 -1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.565 10.945 -3.886 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.282 15.312 -2.020 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.715 11.795 -4.212 1.00 0.00 H new ATOM 0 HH TYR A 13 2.150 13.434 -3.838 1.00 0.00 H new ATOM 212 N LYS A 14 -6.729 11.785 -2.647 1.00 0.00 N ATOM 213 CA LYS A 14 -7.898 10.976 -2.988 1.00 0.00 C ATOM 214 C LYS A 14 -8.779 11.645 -4.042 1.00 0.00 C ATOM 215 O LYS A 14 -9.449 10.964 -4.817 1.00 0.00 O ATOM 216 CB LYS A 14 -8.724 10.705 -1.726 1.00 0.00 C ATOM 217 CG LYS A 14 -8.186 9.563 -0.867 1.00 0.00 C ATOM 218 CD LYS A 14 -8.546 9.727 0.607 1.00 0.00 C ATOM 219 CE LYS A 14 -9.890 10.416 0.802 1.00 0.00 C ATOM 220 NZ LYS A 14 -10.393 10.278 2.198 1.00 0.00 N ATOM 0 H LYS A 14 -6.596 11.921 -1.645 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.534 10.039 -3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.759 11.613 -1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.749 10.476 -2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.585 8.617 -1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.102 9.513 -0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.570 8.747 1.084 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.768 10.305 1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.794 11.473 0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.618 9.991 0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.339 9.847 2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.745 9.674 2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.446 11.217 2.642 1.00 0.00 H new ATOM 234 N SER A 15 -8.762 12.969 -4.084 1.00 0.00 N ATOM 235 CA SER A 15 -9.538 13.705 -5.056 1.00 0.00 C ATOM 236 C SER A 15 -8.890 13.552 -6.405 1.00 0.00 C ATOM 237 O SER A 15 -9.551 13.353 -7.424 1.00 0.00 O ATOM 238 CB SER A 15 -9.604 15.181 -4.678 1.00 0.00 C ATOM 239 OG SER A 15 -10.035 15.350 -3.338 1.00 0.00 O ATOM 0 H SER A 15 -8.215 13.553 -3.451 1.00 0.00 H new ATOM 0 HA SER A 15 -10.555 13.313 -5.082 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.622 15.636 -4.807 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.287 15.701 -5.350 1.00 0.00 H new ATOM 0 HG SER A 15 -10.066 16.305 -3.122 1.00 0.00 H new ATOM 245 N LYS A 16 -7.571 13.662 -6.391 1.00 0.00 N ATOM 246 CA LYS A 16 -6.798 13.557 -7.599 1.00 0.00 C ATOM 247 C LYS A 16 -6.488 12.105 -7.952 1.00 0.00 C ATOM 248 O LYS A 16 -5.954 11.821 -9.025 1.00 0.00 O ATOM 249 CB LYS A 16 -5.501 14.358 -7.476 1.00 0.00 C ATOM 250 CG LYS A 16 -4.699 14.422 -8.766 1.00 0.00 C ATOM 251 CD LYS A 16 -3.592 15.461 -8.684 1.00 0.00 C ATOM 252 CE LYS A 16 -2.237 14.815 -8.444 1.00 0.00 C ATOM 253 NZ LYS A 16 -1.930 14.691 -6.992 1.00 0.00 N ATOM 0 H LYS A 16 -7.020 13.825 -5.548 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.400 13.973 -8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.739 15.372 -7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.883 13.914 -6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.266 13.444 -8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.363 14.661 -9.597 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.563 16.037 -9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.809 16.163 -7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.219 13.827 -8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.461 15.407 -8.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.998 14.246 -6.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.922 15.636 -6.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.656 14.105 -6.533 1.00 0.00 H new ATOM 267 N PHE A 17 -6.810 11.190 -7.045 1.00 0.00 N ATOM 268 CA PHE A 17 -6.547 9.771 -7.272 1.00 0.00 C ATOM 269 C PHE A 17 -7.782 9.036 -7.792 1.00 0.00 C ATOM 270 O PHE A 17 -7.683 7.900 -8.256 1.00 0.00 O ATOM 271 CB PHE A 17 -6.048 9.114 -5.982 1.00 0.00 C ATOM 272 CG PHE A 17 -4.652 8.569 -6.091 1.00 0.00 C ATOM 273 CD1 PHE A 17 -4.286 7.780 -7.170 1.00 0.00 C ATOM 274 CD2 PHE A 17 -3.706 8.847 -5.118 1.00 0.00 C ATOM 275 CE1 PHE A 17 -3.003 7.279 -7.277 1.00 0.00 C ATOM 276 CE2 PHE A 17 -2.421 8.349 -5.218 1.00 0.00 C ATOM 277 CZ PHE A 17 -2.070 7.563 -6.299 1.00 0.00 C ATOM 0 H PHE A 17 -7.251 11.402 -6.150 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.775 9.700 -8.038 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.083 9.845 -5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.726 8.305 -5.709 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.013 7.554 -7.936 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.976 9.460 -4.271 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.730 6.667 -8.124 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.693 8.574 -4.453 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.067 7.171 -6.379 1.00 0.00 H new ATOM 287 N ASP A 18 -8.946 9.679 -7.710 1.00 0.00 N ATOM 288 CA ASP A 18 -10.194 9.070 -8.174 1.00 0.00 C ATOM 289 C ASP A 18 -10.641 7.938 -7.244 1.00 0.00 C ATOM 290 O ASP A 18 -11.598 7.221 -7.540 1.00 0.00 O ATOM 291 CB ASP A 18 -10.037 8.539 -9.601 1.00 0.00 C ATOM 292 CG ASP A 18 -9.334 9.528 -10.513 1.00 0.00 C ATOM 293 OD1 ASP A 18 -8.086 9.530 -10.536 1.00 0.00 O ATOM 294 OD2 ASP A 18 -10.034 10.300 -11.202 1.00 0.00 O ATOM 0 H ASP A 18 -9.052 10.619 -7.328 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.961 9.845 -8.165 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.474 7.606 -9.579 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.021 8.308 -10.010 1.00 0.00 H new ATOM 299 N LYS A 19 -9.954 7.794 -6.115 1.00 0.00 N ATOM 300 CA LYS A 19 -10.280 6.769 -5.130 1.00 0.00 C ATOM 301 C LYS A 19 -10.196 7.371 -3.734 1.00 0.00 C ATOM 302 O LYS A 19 -9.122 7.429 -3.136 1.00 0.00 O ATOM 303 CB LYS A 19 -9.327 5.576 -5.252 1.00 0.00 C ATOM 304 CG LYS A 19 -7.884 5.970 -5.522 1.00 0.00 C ATOM 305 CD LYS A 19 -7.073 4.796 -6.046 1.00 0.00 C ATOM 306 CE LYS A 19 -6.137 4.243 -4.984 1.00 0.00 C ATOM 307 NZ LYS A 19 -5.258 5.302 -4.414 1.00 0.00 N ATOM 0 H LYS A 19 -9.160 8.381 -5.858 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.293 6.410 -5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.369 4.994 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.673 4.927 -6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.858 6.784 -6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.431 6.346 -4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.748 4.009 -6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.494 5.112 -6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.722 3.788 -4.185 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.522 3.454 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.310 4.911 -4.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.190 6.094 -5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.660 5.641 -3.517 1.00 0.00 H new ATOM 321 N ASN A 20 -11.327 7.858 -3.239 1.00 0.00 N ATOM 322 CA ASN A 20 -11.366 8.503 -1.934 1.00 0.00 C ATOM 323 C ASN A 20 -11.769 7.561 -0.807 1.00 0.00 C ATOM 324 O ASN A 20 -12.897 7.071 -0.756 1.00 0.00 O ATOM 325 CB ASN A 20 -12.322 9.696 -1.971 1.00 0.00 C ATOM 326 CG ASN A 20 -13.683 9.330 -2.531 1.00 0.00 C ATOM 327 OD1 ASN A 20 -13.799 8.912 -3.683 1.00 0.00 O ATOM 328 ND2 ASN A 20 -14.718 9.487 -1.717 1.00 0.00 N ATOM 0 H ASN A 20 -12.226 7.819 -3.720 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.350 8.834 -1.721 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.442 10.093 -0.963 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.885 10.490 -2.577 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.659 9.258 -2.038 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.573 9.837 -0.770 1.00 0.00 H new ATOM 335 N TYR A 21 -10.841 7.358 0.125 1.00 0.00 N ATOM 336 CA TYR A 21 -11.091 6.529 1.295 1.00 0.00 C ATOM 337 C TYR A 21 -10.571 7.253 2.541 1.00 0.00 C ATOM 338 O TYR A 21 -9.351 7.485 2.697 1.00 0.00 O ATOM 339 CB TYR A 21 -10.444 5.155 1.139 1.00 0.00 C ATOM 340 CG TYR A 21 -9.104 5.194 0.466 1.00 0.00 C ATOM 341 CD1 TYR A 21 -7.977 5.447 1.210 1.00 0.00 C ATOM 342 CD2 TYR A 21 -8.961 4.974 -0.899 1.00 0.00 C ATOM 343 CE1 TYR A 21 -6.738 5.481 0.631 1.00 0.00 C ATOM 344 CE2 TYR A 21 -7.713 5.010 -1.492 1.00 0.00 C ATOM 345 CZ TYR A 21 -6.602 5.262 -0.714 1.00 0.00 C ATOM 346 OH TYR A 21 -5.350 5.308 -1.278 1.00 0.00 O ATOM 0 H TYR A 21 -9.904 7.760 0.089 1.00 0.00 H new ATOM 0 HA TYR A 21 -12.163 6.366 1.401 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.333 4.701 2.124 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.111 4.512 0.565 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.071 5.622 2.272 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.834 4.773 -1.502 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.866 5.681 1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.609 4.843 -2.554 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.873 6.100 -0.952 1.00 0.00 H new ATOM 356 N GLU A 22 -11.543 7.634 3.385 1.00 0.00 N ATOM 357 CA GLU A 22 -11.328 8.394 4.620 1.00 0.00 C ATOM 358 C GLU A 22 -10.794 7.566 5.786 1.00 0.00 C ATOM 359 O GLU A 22 -10.553 6.368 5.669 1.00 0.00 O ATOM 360 CB GLU A 22 -12.632 9.078 5.037 1.00 0.00 C ATOM 361 CG GLU A 22 -12.481 10.568 5.297 1.00 0.00 C ATOM 362 CD GLU A 22 -12.622 10.923 6.765 1.00 0.00 C ATOM 363 OE1 GLU A 22 -13.760 10.890 7.277 1.00 0.00 O ATOM 364 OE2 GLU A 22 -11.593 11.236 7.401 1.00 0.00 O ATOM 0 H GLU A 22 -12.525 7.415 3.220 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.554 9.126 4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.377 8.928 4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.013 8.597 5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.506 10.898 4.940 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.231 11.111 4.722 1.00 0.00 H new ATOM 371 N ALA A 23 -10.597 8.264 6.910 1.00 0.00 N ATOM 372 CA ALA A 23 -10.064 7.683 8.142 1.00 0.00 C ATOM 373 C ALA A 23 -10.641 6.305 8.463 1.00 0.00 C ATOM 374 O ALA A 23 -9.929 5.452 8.994 1.00 0.00 O ATOM 375 CB ALA A 23 -10.320 8.629 9.306 1.00 0.00 C ATOM 0 H ALA A 23 -10.806 9.259 6.988 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.994 7.545 7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.922 8.194 10.223 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.829 9.583 9.114 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.393 8.789 9.416 1.00 0.00 H new ATOM 381 N GLU A 24 -11.916 6.069 8.158 1.00 0.00 N ATOM 382 CA GLU A 24 -12.510 4.764 8.454 1.00 0.00 C ATOM 383 C GLU A 24 -11.707 3.661 7.770 1.00 0.00 C ATOM 384 O GLU A 24 -11.176 2.766 8.428 1.00 0.00 O ATOM 385 CB GLU A 24 -13.967 4.722 7.989 1.00 0.00 C ATOM 386 CG GLU A 24 -14.750 5.983 8.321 1.00 0.00 C ATOM 387 CD GLU A 24 -16.124 5.684 8.887 1.00 0.00 C ATOM 388 OE1 GLU A 24 -16.806 4.785 8.352 1.00 0.00 O ATOM 389 OE2 GLU A 24 -16.519 6.351 9.867 1.00 0.00 O ATOM 0 H GLU A 24 -12.544 6.742 7.718 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.487 4.604 9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.991 4.563 6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.461 3.866 8.448 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.186 6.577 9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.856 6.588 7.421 1.00 0.00 H new ATOM 396 N GLU A 25 -11.576 3.766 6.453 1.00 0.00 N ATOM 397 CA GLU A 25 -10.784 2.818 5.679 1.00 0.00 C ATOM 398 C GLU A 25 -9.303 3.116 5.883 1.00 0.00 C ATOM 399 O GLU A 25 -8.465 2.218 5.963 1.00 0.00 O ATOM 400 CB GLU A 25 -11.142 2.910 4.193 1.00 0.00 C ATOM 401 CG GLU A 25 -11.931 1.716 3.682 1.00 0.00 C ATOM 402 CD GLU A 25 -11.955 1.639 2.168 1.00 0.00 C ATOM 403 OE1 GLU A 25 -12.448 2.595 1.533 1.00 0.00 O ATOM 404 OE2 GLU A 25 -11.482 0.623 1.617 1.00 0.00 O ATOM 0 H GLU A 25 -12.011 4.502 5.896 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.001 1.806 6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.721 3.817 4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.225 3.004 3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.497 0.800 4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.953 1.774 4.056 1.00 0.00 H new ATOM 411 N ASP A 26 -9.009 4.412 5.939 1.00 0.00 N ATOM 412 CA ASP A 26 -7.655 4.926 6.101 1.00 0.00 C ATOM 413 C ASP A 26 -6.952 4.379 7.334 1.00 0.00 C ATOM 414 O ASP A 26 -5.736 4.241 7.340 1.00 0.00 O ATOM 415 CB ASP A 26 -7.698 6.443 6.208 1.00 0.00 C ATOM 416 CG ASP A 26 -7.666 7.132 4.860 1.00 0.00 C ATOM 417 OD1 ASP A 26 -7.042 6.584 3.928 1.00 0.00 O ATOM 418 OD2 ASP A 26 -8.258 8.225 4.738 1.00 0.00 O ATOM 0 H ASP A 26 -9.716 5.144 5.872 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.092 4.602 5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.602 6.739 6.740 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.852 6.784 6.804 1.00 0.00 H new ATOM 423 N LEU A 27 -7.703 4.108 8.391 1.00 0.00 N ATOM 424 CA LEU A 27 -7.112 3.623 9.631 1.00 0.00 C ATOM 425 C LEU A 27 -6.154 2.462 9.371 1.00 0.00 C ATOM 426 O LEU A 27 -4.968 2.523 9.722 1.00 0.00 O ATOM 427 CB LEU A 27 -8.234 3.197 10.567 1.00 0.00 C ATOM 428 CG LEU A 27 -7.972 3.483 12.042 1.00 0.00 C ATOM 429 CD1 LEU A 27 -9.138 4.239 12.660 1.00 0.00 C ATOM 430 CD2 LEU A 27 -7.705 2.193 12.801 1.00 0.00 C ATOM 0 H LEU A 27 -8.717 4.215 8.416 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.529 4.422 10.090 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.151 3.705 10.269 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.407 2.128 10.443 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.084 4.111 12.114 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.930 4.432 13.712 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.276 5.186 12.138 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.046 3.642 12.574 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.521 2.420 13.851 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.571 1.536 12.718 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.832 1.696 12.378 1.00 0.00 H new ATOM 442 N MET A 28 -6.647 1.436 8.699 1.00 0.00 N ATOM 443 CA MET A 28 -5.806 0.303 8.347 1.00 0.00 C ATOM 444 C MET A 28 -4.768 0.774 7.336 1.00 0.00 C ATOM 445 O MET A 28 -3.650 0.257 7.262 1.00 0.00 O ATOM 446 CB MET A 28 -6.643 -0.836 7.762 1.00 0.00 C ATOM 447 CG MET A 28 -7.567 -0.400 6.636 1.00 0.00 C ATOM 448 SD MET A 28 -8.381 -1.791 5.828 1.00 0.00 S ATOM 449 CE MET A 28 -9.872 -1.927 6.812 1.00 0.00 C ATOM 0 H MET A 28 -7.616 1.363 8.388 1.00 0.00 H new ATOM 0 HA MET A 28 -5.312 -0.079 9.241 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.974 -1.613 7.391 1.00 0.00 H new ATOM 0 HB3 MET A 28 -7.240 -1.282 8.558 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.323 0.278 7.033 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.994 0.160 5.897 1.00 0.00 H new ATOM 0 HE1 MET A 28 -9.997 -2.958 7.143 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.795 -1.274 7.681 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.732 -1.632 6.211 1.00 0.00 H new ATOM 459 N ARG A 29 -5.159 1.785 6.568 1.00 0.00 N ATOM 460 CA ARG A 29 -4.291 2.366 5.570 1.00 0.00 C ATOM 461 C ARG A 29 -3.198 3.198 6.227 1.00 0.00 C ATOM 462 O ARG A 29 -2.119 3.365 5.672 1.00 0.00 O ATOM 463 CB ARG A 29 -5.090 3.247 4.633 1.00 0.00 C ATOM 464 CG ARG A 29 -5.787 2.501 3.496 1.00 0.00 C ATOM 465 CD ARG A 29 -7.145 3.103 3.161 1.00 0.00 C ATOM 466 NE ARG A 29 -7.612 2.671 1.842 1.00 0.00 N ATOM 467 CZ ARG A 29 -8.502 1.698 1.640 1.00 0.00 C ATOM 468 NH1 ARG A 29 -9.139 1.141 2.664 1.00 0.00 N ATOM 469 NH2 ARG A 29 -8.757 1.280 0.407 1.00 0.00 N ATOM 0 H ARG A 29 -6.081 2.217 6.625 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.832 1.554 5.007 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.842 3.783 5.212 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.424 3.996 4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.154 2.521 2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.914 1.455 3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.871 2.810 3.919 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.078 4.191 3.187 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.231 3.146 1.023 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.949 1.457 3.615 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.818 0.398 2.499 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.273 1.702 -0.385 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.437 0.536 0.251 1.00 0.00 H new ATOM 483 N ARG A 30 -3.475 3.719 7.421 1.00 0.00 N ATOM 484 CA ARG A 30 -2.490 4.520 8.133 1.00 0.00 C ATOM 485 C ARG A 30 -1.189 3.743 8.189 1.00 0.00 C ATOM 486 O ARG A 30 -0.099 4.309 8.103 1.00 0.00 O ATOM 487 CB ARG A 30 -2.969 4.843 9.550 1.00 0.00 C ATOM 488 CG ARG A 30 -4.107 5.849 9.597 1.00 0.00 C ATOM 489 CD ARG A 30 -3.623 7.252 9.274 1.00 0.00 C ATOM 490 NE ARG A 30 -4.565 8.273 9.727 1.00 0.00 N ATOM 491 CZ ARG A 30 -4.677 8.670 10.992 1.00 0.00 C ATOM 492 NH1 ARG A 30 -3.905 8.137 11.932 1.00 0.00 N ATOM 493 NH2 ARG A 30 -5.561 9.603 11.319 1.00 0.00 N ATOM 0 H ARG A 30 -4.363 3.601 7.908 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.344 5.464 7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.291 3.921 10.034 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.130 5.230 10.128 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.881 5.558 8.887 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.562 5.839 10.587 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.654 7.419 9.744 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.476 7.346 8.198 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.173 8.707 9.032 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.223 7.420 11.686 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.994 8.445 12.900 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.155 10.017 10.601 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.647 9.907 12.289 1.00 0.00 H new ATOM 507 N ARG A 31 -1.328 2.427 8.302 1.00 0.00 N ATOM 508 CA ARG A 31 -0.179 1.536 8.336 1.00 0.00 C ATOM 509 C ARG A 31 0.486 1.442 6.959 1.00 0.00 C ATOM 510 O ARG A 31 1.716 1.328 6.862 1.00 0.00 O ATOM 511 CB ARG A 31 -0.599 0.143 8.808 1.00 0.00 C ATOM 512 CG ARG A 31 -1.531 0.161 10.010 1.00 0.00 C ATOM 513 CD ARG A 31 -0.935 0.946 11.168 1.00 0.00 C ATOM 514 NE ARG A 31 -1.150 0.279 12.449 1.00 0.00 N ATOM 515 CZ ARG A 31 -1.093 0.898 13.627 1.00 0.00 C ATOM 516 NH1 ARG A 31 -0.823 2.195 13.690 1.00 0.00 N ATOM 517 NH2 ARG A 31 -1.306 0.216 14.744 1.00 0.00 N ATOM 0 H ARG A 31 -2.229 1.954 8.372 1.00 0.00 H new ATOM 0 HA ARG A 31 0.544 1.948 9.040 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.091 -0.377 7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.293 -0.430 9.060 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.486 0.602 9.724 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.734 -0.861 10.329 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.134 1.079 11.004 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.379 1.941 11.198 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.356 -0.720 12.441 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.658 2.724 12.834 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.781 2.664 14.595 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.513 -0.782 14.701 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.263 0.689 15.647 1.00 0.00 H new ATOM 531 N ILE A 32 -0.312 1.524 5.885 1.00 0.00 N ATOM 532 CA ILE A 32 0.249 1.462 4.540 1.00 0.00 C ATOM 533 C ILE A 32 0.756 2.822 4.160 1.00 0.00 C ATOM 534 O ILE A 32 1.746 2.970 3.456 1.00 0.00 O ATOM 535 CB ILE A 32 -0.760 0.918 3.509 1.00 0.00 C ATOM 536 CG1 ILE A 32 -0.551 1.540 2.156 1.00 0.00 C ATOM 537 CG2 ILE A 32 -2.173 1.096 3.954 1.00 0.00 C ATOM 538 CD1 ILE A 32 0.809 1.283 1.620 1.00 0.00 C ATOM 0 H ILE A 32 -1.326 1.631 5.924 1.00 0.00 H new ATOM 0 HA ILE A 32 1.079 0.756 4.540 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.574 -0.153 3.428 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.293 1.148 1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.715 2.615 2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.846 0.698 3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.329 0.564 4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.378 2.157 4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.909 1.753 0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.553 1.699 2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.965 0.209 1.524 1.00 0.00 H new ATOM 550 N TYR A 33 0.072 3.812 4.639 1.00 0.00 N ATOM 551 CA TYR A 33 0.457 5.160 4.369 1.00 0.00 C ATOM 552 C TYR A 33 1.811 5.500 4.994 1.00 0.00 C ATOM 553 O TYR A 33 2.546 6.351 4.483 1.00 0.00 O ATOM 554 CB TYR A 33 -0.588 6.166 4.831 1.00 0.00 C ATOM 555 CG TYR A 33 -0.486 7.458 4.060 1.00 0.00 C ATOM 556 CD1 TYR A 33 0.484 7.602 3.075 1.00 0.00 C ATOM 557 CD2 TYR A 33 -1.342 8.521 4.301 1.00 0.00 C ATOM 558 CE1 TYR A 33 0.597 8.764 2.351 1.00 0.00 C ATOM 559 CE2 TYR A 33 -1.233 9.695 3.580 1.00 0.00 C ATOM 560 CZ TYR A 33 -0.263 9.810 2.603 1.00 0.00 C ATOM 561 OH TYR A 33 -0.143 10.978 1.884 1.00 0.00 O ATOM 0 H TYR A 33 -0.759 3.711 5.221 1.00 0.00 H new ATOM 0 HA TYR A 33 0.542 5.233 3.285 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.584 5.742 4.704 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.459 6.364 5.895 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.162 6.785 2.875 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.104 8.431 5.062 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.356 8.857 1.588 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.903 10.518 3.779 1.00 0.00 H new ATOM 0 HH TYR A 33 0.556 11.537 2.283 1.00 0.00 H new ATOM 571 N ALA A 34 2.132 4.853 6.113 1.00 0.00 N ATOM 572 CA ALA A 34 3.392 5.119 6.801 1.00 0.00 C ATOM 573 C ALA A 34 4.585 4.783 5.925 1.00 0.00 C ATOM 574 O ALA A 34 5.482 5.605 5.727 1.00 0.00 O ATOM 575 CB ALA A 34 3.453 4.348 8.111 1.00 0.00 C ATOM 0 H ALA A 34 1.544 4.148 6.558 1.00 0.00 H new ATOM 0 HA ALA A 34 3.435 6.186 7.020 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.398 4.557 8.612 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.627 4.654 8.752 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.378 3.280 7.908 1.00 0.00 H new ATOM 581 N GLU A 35 4.570 3.592 5.375 1.00 0.00 N ATOM 582 CA GLU A 35 5.631 3.147 4.478 1.00 0.00 C ATOM 583 C GLU A 35 5.746 4.078 3.279 1.00 0.00 C ATOM 584 O GLU A 35 6.813 4.223 2.685 1.00 0.00 O ATOM 585 CB GLU A 35 5.325 1.753 3.981 1.00 0.00 C ATOM 586 CG GLU A 35 3.905 1.638 3.484 1.00 0.00 C ATOM 587 CD GLU A 35 3.248 0.358 3.964 1.00 0.00 C ATOM 588 OE1 GLU A 35 3.074 0.204 5.191 1.00 0.00 O ATOM 589 OE2 GLU A 35 2.923 -0.498 3.115 1.00 0.00 O ATOM 0 H GLU A 35 3.833 2.904 5.529 1.00 0.00 H new ATOM 0 HA GLU A 35 6.571 3.153 5.030 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.014 1.494 3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.489 1.036 4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.328 2.496 3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.897 1.666 2.394 1.00 0.00 H new ATOM 596 N SER A 36 4.616 4.670 2.902 1.00 0.00 N ATOM 597 CA SER A 36 4.539 5.547 1.739 1.00 0.00 C ATOM 598 C SER A 36 5.647 6.588 1.736 1.00 0.00 C ATOM 599 O SER A 36 6.401 6.690 0.770 1.00 0.00 O ATOM 600 CB SER A 36 3.193 6.262 1.750 1.00 0.00 C ATOM 601 OG SER A 36 3.207 7.407 0.926 1.00 0.00 O ATOM 0 H SER A 36 3.730 4.555 3.394 1.00 0.00 H new ATOM 0 HA SER A 36 4.652 4.932 0.846 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.414 5.579 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.942 6.550 2.771 1.00 0.00 H new ATOM 0 HG SER A 36 3.091 7.138 -0.009 1.00 0.00 H new ATOM 607 N LYS A 37 5.757 7.355 2.807 1.00 0.00 N ATOM 608 CA LYS A 37 6.799 8.368 2.879 1.00 0.00 C ATOM 609 C LYS A 37 8.162 7.700 2.814 1.00 0.00 C ATOM 610 O LYS A 37 9.087 8.221 2.190 1.00 0.00 O ATOM 611 CB LYS A 37 6.684 9.205 4.144 1.00 0.00 C ATOM 612 CG LYS A 37 5.253 9.444 4.619 1.00 0.00 C ATOM 613 CD LYS A 37 4.286 9.695 3.461 1.00 0.00 C ATOM 614 CE LYS A 37 4.741 10.840 2.569 1.00 0.00 C ATOM 615 NZ LYS A 37 3.597 11.449 1.829 1.00 0.00 N ATOM 0 H LYS A 37 5.151 7.299 3.625 1.00 0.00 H new ATOM 0 HA LYS A 37 6.678 9.041 2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.240 8.713 4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.161 10.169 3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.914 8.580 5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.236 10.299 5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.193 8.787 2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.296 9.918 3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.230 11.602 3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.482 10.475 1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.954 11.958 0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.943 10.700 1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.095 12.114 2.452 1.00 0.00 H new ATOM 629 N ALA A 38 8.272 6.518 3.420 1.00 0.00 N ATOM 630 CA ALA A 38 9.519 5.766 3.374 1.00 0.00 C ATOM 631 C ALA A 38 9.946 5.628 1.926 1.00 0.00 C ATOM 632 O ALA A 38 11.127 5.689 1.584 1.00 0.00 O ATOM 633 CB ALA A 38 9.349 4.399 4.020 1.00 0.00 C ATOM 0 H ALA A 38 7.521 6.067 3.942 1.00 0.00 H new ATOM 0 HA ALA A 38 10.289 6.297 3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.292 3.855 3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.052 4.523 5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.581 3.838 3.488 1.00 0.00 H new ATOM 639 N ARG A 39 8.939 5.474 1.088 1.00 0.00 N ATOM 640 CA ARG A 39 9.105 5.357 -0.343 1.00 0.00 C ATOM 641 C ARG A 39 9.490 6.695 -0.942 1.00 0.00 C ATOM 642 O ARG A 39 10.217 6.770 -1.918 1.00 0.00 O ATOM 643 CB ARG A 39 7.809 4.874 -0.951 1.00 0.00 C ATOM 644 CG ARG A 39 7.153 3.781 -0.125 1.00 0.00 C ATOM 645 CD ARG A 39 7.210 2.434 -0.829 1.00 0.00 C ATOM 646 NE ARG A 39 7.403 1.332 0.109 1.00 0.00 N ATOM 647 CZ ARG A 39 7.518 0.057 -0.259 1.00 0.00 C ATOM 648 NH1 ARG A 39 7.462 -0.277 -1.542 1.00 0.00 N ATOM 649 NH2 ARG A 39 7.691 -0.885 0.657 1.00 0.00 N ATOM 0 H ARG A 39 7.966 5.426 1.391 1.00 0.00 H new ATOM 0 HA ARG A 39 9.901 4.644 -0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.121 5.714 -1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.000 4.500 -1.957 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.650 3.708 0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.114 4.046 0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.287 2.277 -1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.023 2.439 -1.554 1.00 0.00 H new ATOM 0 HE ARG A 39 7.453 1.551 1.104 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.330 0.444 -2.251 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.551 -1.255 -1.819 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.736 -0.634 1.645 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.779 -1.861 0.374 1.00 0.00 H new ATOM 663 N ILE A 40 8.994 7.768 -0.353 1.00 0.00 N ATOM 664 CA ILE A 40 9.314 9.093 -0.848 1.00 0.00 C ATOM 665 C ILE A 40 10.791 9.345 -0.635 1.00 0.00 C ATOM 666 O ILE A 40 11.472 9.959 -1.453 1.00 0.00 O ATOM 667 CB ILE A 40 8.414 10.144 -0.192 1.00 0.00 C ATOM 668 CG1 ILE A 40 6.954 9.866 -0.599 1.00 0.00 C ATOM 669 CG2 ILE A 40 8.830 11.557 -0.585 1.00 0.00 C ATOM 670 CD1 ILE A 40 6.776 8.797 -1.684 1.00 0.00 C ATOM 0 H ILE A 40 8.376 7.749 0.458 1.00 0.00 H new ATOM 0 HA ILE A 40 9.117 9.164 -1.918 1.00 0.00 H new ATOM 0 HB ILE A 40 8.513 10.075 0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.398 9.559 0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.507 10.796 -0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.171 12.278 -0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.857 11.735 -0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.760 11.669 -1.667 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.715 8.673 -1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.299 9.107 -2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.188 7.851 -1.333 1.00 0.00 H new ATOM 682 N GLU A 41 11.281 8.764 0.437 1.00 0.00 N ATOM 683 CA GLU A 41 12.695 8.796 0.771 1.00 0.00 C ATOM 684 C GLU A 41 13.449 7.926 -0.239 1.00 0.00 C ATOM 685 O GLU A 41 14.655 8.064 -0.439 1.00 0.00 O ATOM 686 CB GLU A 41 12.929 8.286 2.195 1.00 0.00 C ATOM 687 CG GLU A 41 12.919 9.387 3.243 1.00 0.00 C ATOM 688 CD GLU A 41 11.526 9.689 3.758 1.00 0.00 C ATOM 689 OE1 GLU A 41 11.037 8.937 4.627 1.00 0.00 O ATOM 690 OE2 GLU A 41 10.923 10.679 3.292 1.00 0.00 O ATOM 0 H GLU A 41 10.709 8.252 1.109 1.00 0.00 H new ATOM 0 HA GLU A 41 13.059 9.822 0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.160 7.554 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.887 7.767 2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.556 9.094 4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.349 10.293 2.817 1.00 0.00 H new ATOM 697 N GLU A 42 12.706 6.975 -0.806 1.00 0.00 N ATOM 698 CA GLU A 42 13.217 5.970 -1.738 1.00 0.00 C ATOM 699 C GLU A 42 13.985 6.531 -2.938 1.00 0.00 C ATOM 700 O GLU A 42 15.185 6.295 -3.087 1.00 0.00 O ATOM 701 CB GLU A 42 11.971 5.287 -2.325 1.00 0.00 C ATOM 702 CG GLU A 42 12.244 4.216 -3.361 1.00 0.00 C ATOM 703 CD GLU A 42 11.616 2.882 -3.006 1.00 0.00 C ATOM 704 OE1 GLU A 42 12.110 2.223 -2.067 1.00 0.00 O ATOM 705 OE2 GLU A 42 10.629 2.496 -3.667 1.00 0.00 O ATOM 0 H GLU A 42 11.707 6.880 -0.625 1.00 0.00 H new ATOM 0 HA GLU A 42 13.906 5.332 -1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.403 4.842 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.337 6.051 -2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.863 4.546 -4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.321 4.088 -3.470 1.00 0.00 H new ATOM 712 N HIS A 43 13.289 7.251 -3.798 1.00 0.00 N ATOM 713 CA HIS A 43 13.896 7.803 -4.999 1.00 0.00 C ATOM 714 C HIS A 43 14.631 9.098 -4.728 1.00 0.00 C ATOM 715 O HIS A 43 15.606 9.427 -5.404 1.00 0.00 O ATOM 716 CB HIS A 43 12.817 8.035 -6.042 1.00 0.00 C ATOM 717 CG HIS A 43 12.307 6.773 -6.666 1.00 0.00 C ATOM 718 ND1 HIS A 43 12.934 6.148 -7.723 1.00 0.00 N ATOM 719 CD2 HIS A 43 11.221 6.017 -6.374 1.00 0.00 C ATOM 720 CE1 HIS A 43 12.257 5.063 -8.055 1.00 0.00 C ATOM 721 NE2 HIS A 43 11.214 4.961 -7.251 1.00 0.00 N ATOM 0 H HIS A 43 12.299 7.469 -3.688 1.00 0.00 H new ATOM 0 HA HIS A 43 14.630 7.084 -5.362 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.984 8.565 -5.580 1.00 0.00 H new ATOM 0 HB3 HIS A 43 13.212 8.683 -6.824 1.00 0.00 H new ATOM 0 HD2 HIS A 43 10.496 6.209 -5.597 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.513 4.377 -8.849 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.516 4.218 -7.278 1.00 0.00 H new ATOM 730 N ASN A 44 14.135 9.844 -3.764 1.00 0.00 N ATOM 731 CA ASN A 44 14.718 11.121 -3.431 1.00 0.00 C ATOM 732 C ASN A 44 16.132 10.974 -2.912 1.00 0.00 C ATOM 733 O ASN A 44 16.949 11.873 -3.087 1.00 0.00 O ATOM 734 CB ASN A 44 13.832 11.850 -2.438 1.00 0.00 C ATOM 735 CG ASN A 44 13.024 12.922 -3.128 1.00 0.00 C ATOM 736 OD1 ASN A 44 11.969 12.646 -3.705 1.00 0.00 O ATOM 737 ND2 ASN A 44 13.542 14.143 -3.109 1.00 0.00 N ATOM 0 H ASN A 44 13.327 9.585 -3.197 1.00 0.00 H new ATOM 0 HA ASN A 44 14.782 11.717 -4.341 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.163 11.140 -1.951 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.446 12.297 -1.656 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.064 14.907 -3.587 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.418 14.318 -2.617 1.00 0.00 H new ATOM 744 N ARG A 45 16.416 9.834 -2.293 1.00 0.00 N ATOM 745 CA ARG A 45 17.748 9.548 -1.769 1.00 0.00 C ATOM 746 C ARG A 45 18.624 8.883 -2.840 1.00 0.00 C ATOM 747 O ARG A 45 19.846 8.814 -2.713 1.00 0.00 O ATOM 748 CB ARG A 45 17.639 8.634 -0.550 1.00 0.00 C ATOM 749 CG ARG A 45 17.461 9.384 0.759 1.00 0.00 C ATOM 750 CD ARG A 45 18.692 10.206 1.104 1.00 0.00 C ATOM 751 NE ARG A 45 18.620 10.761 2.454 1.00 0.00 N ATOM 752 CZ ARG A 45 19.588 11.485 3.012 1.00 0.00 C ATOM 753 NH1 ARG A 45 20.703 11.744 2.340 1.00 0.00 N ATOM 754 NH2 ARG A 45 19.439 11.951 4.244 1.00 0.00 N ATOM 0 H ARG A 45 15.737 9.088 -2.141 1.00 0.00 H new ATOM 0 HA ARG A 45 18.214 10.489 -1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 45 16.796 7.957 -0.688 1.00 0.00 H new ATOM 0 HB3 ARG A 45 18.536 8.018 -0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.593 10.040 0.688 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.260 8.674 1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.581 9.582 1.016 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.800 11.017 0.384 1.00 0.00 H new ATOM 0 HE ARG A 45 17.778 10.583 3.001 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.821 11.388 1.392 1.00 0.00 H new ATOM 0 HH12 ARG A 45 21.442 12.299 2.772 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.583 11.755 4.763 1.00 0.00 H new ATOM 0 HH22 ARG A 45 20.180 12.506 4.673 1.00 0.00 H new ATOM 768 N LYS A 46 17.962 8.351 -3.862 1.00 0.00 N ATOM 769 CA LYS A 46 18.614 7.623 -4.954 1.00 0.00 C ATOM 770 C LYS A 46 19.478 8.501 -5.878 1.00 0.00 C ATOM 771 O LYS A 46 20.692 8.305 -5.968 1.00 0.00 O ATOM 772 CB LYS A 46 17.504 6.981 -5.751 1.00 0.00 C ATOM 773 CG LYS A 46 17.465 5.465 -5.651 1.00 0.00 C ATOM 774 CD LYS A 46 16.047 4.935 -5.790 1.00 0.00 C ATOM 775 CE LYS A 46 16.031 3.540 -6.394 1.00 0.00 C ATOM 776 NZ LYS A 46 14.883 2.732 -5.896 1.00 0.00 N ATOM 0 H LYS A 46 16.949 8.411 -3.960 1.00 0.00 H new ATOM 0 HA LYS A 46 19.309 6.902 -4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.549 7.381 -5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 46 17.613 7.263 -6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 46 18.095 5.032 -6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 46 17.880 5.151 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.567 4.915 -4.811 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.465 5.611 -6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.978 3.615 -7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.964 3.030 -6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.908 1.788 -6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.947 2.638 -4.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.991 3.205 -6.146 1.00 0.00 H new ATOM 790 N PHE A 47 18.882 9.518 -6.503 1.00 0.00 N ATOM 791 CA PHE A 47 19.650 10.439 -7.334 1.00 0.00 C ATOM 792 C PHE A 47 20.525 11.164 -6.387 1.00 0.00 C ATOM 793 O PHE A 47 21.681 11.481 -6.652 1.00 0.00 O ATOM 794 CB PHE A 47 18.787 11.429 -8.098 1.00 0.00 C ATOM 795 CG PHE A 47 17.906 12.282 -7.245 1.00 0.00 C ATOM 796 CD1 PHE A 47 18.347 13.494 -6.743 1.00 0.00 C ATOM 797 CD2 PHE A 47 16.625 11.871 -6.969 1.00 0.00 C ATOM 798 CE1 PHE A 47 17.512 14.284 -5.977 1.00 0.00 C ATOM 799 CE2 PHE A 47 15.783 12.649 -6.203 1.00 0.00 C ATOM 800 CZ PHE A 47 16.225 13.861 -5.707 1.00 0.00 C ATOM 0 H PHE A 47 17.884 9.721 -6.450 1.00 0.00 H new ATOM 0 HA PHE A 47 20.195 9.886 -8.100 1.00 0.00 H new ATOM 0 HB2 PHE A 47 19.437 12.077 -8.686 1.00 0.00 H new ATOM 0 HB3 PHE A 47 18.164 10.878 -8.802 1.00 0.00 H new ATOM 0 HD1 PHE A 47 19.353 13.825 -6.952 1.00 0.00 H new ATOM 0 HD2 PHE A 47 16.273 10.927 -7.357 1.00 0.00 H new ATOM 0 HE1 PHE A 47 17.864 15.229 -5.591 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.779 12.312 -5.991 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.567 14.475 -5.111 1.00 0.00 H new ATOM 810 N GLU A 48 19.937 11.336 -5.225 1.00 0.00 N ATOM 811 CA GLU A 48 20.587 11.920 -4.107 1.00 0.00 C ATOM 812 C GLU A 48 21.920 11.193 -3.884 1.00 0.00 C ATOM 813 O GLU A 48 22.796 11.667 -3.160 1.00 0.00 O ATOM 814 CB GLU A 48 19.656 11.747 -2.918 1.00 0.00 C ATOM 815 CG GLU A 48 19.208 13.060 -2.295 1.00 0.00 C ATOM 816 CD GLU A 48 20.301 13.720 -1.476 1.00 0.00 C ATOM 817 OE1 GLU A 48 20.983 13.005 -0.711 1.00 0.00 O ATOM 818 OE2 GLU A 48 20.474 14.951 -1.598 1.00 0.00 O ATOM 0 H GLU A 48 18.972 11.063 -5.042 1.00 0.00 H new ATOM 0 HA GLU A 48 20.801 12.978 -4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.776 11.187 -3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 48 20.159 11.148 -2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.888 13.741 -3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.341 12.879 -1.659 1.00 0.00 H new ATOM 825 N LYS A 49 22.045 10.029 -4.543 1.00 0.00 N ATOM 826 CA LYS A 49 23.238 9.205 -4.467 1.00 0.00 C ATOM 827 C LYS A 49 24.092 9.366 -5.717 1.00 0.00 C ATOM 828 O LYS A 49 24.922 8.508 -6.015 1.00 0.00 O ATOM 829 CB LYS A 49 22.851 7.734 -4.282 1.00 0.00 C ATOM 830 CG LYS A 49 23.498 7.086 -3.070 1.00 0.00 C ATOM 831 CD LYS A 49 23.734 5.601 -3.290 1.00 0.00 C ATOM 832 CE LYS A 49 24.417 4.961 -2.092 1.00 0.00 C ATOM 833 NZ LYS A 49 25.876 4.768 -2.324 1.00 0.00 N ATOM 0 H LYS A 49 21.315 9.642 -5.141 1.00 0.00 H new ATOM 0 HA LYS A 49 23.824 9.532 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.768 7.660 -4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 49 23.132 7.177 -5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 49 24.447 7.578 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 49 22.861 7.229 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 49 22.782 5.104 -3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 49 24.347 5.457 -4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 49 24.269 5.587 -1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 49 23.952 3.998 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 26.306 4.329 -1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 26.018 4.150 -3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 26.324 5.690 -2.501 1.00 0.00 H new ATOM 847 N GLY A 50 23.864 10.446 -6.475 1.00 0.00 N ATOM 848 CA GLY A 50 24.617 10.637 -7.708 1.00 0.00 C ATOM 849 C GLY A 50 24.521 9.379 -8.533 1.00 0.00 C ATOM 850 O GLY A 50 25.454 8.974 -9.226 1.00 0.00 O ATOM 0 H GLY A 50 23.185 11.177 -6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 50 24.220 11.486 -8.265 1.00 0.00 H new ATOM 0 HA3 GLY A 50 25.659 10.863 -7.483 1.00 0.00 H new ATOM 854 N GLU A 51 23.374 8.739 -8.373 1.00 0.00 N ATOM 855 CA GLU A 51 23.062 7.476 -8.995 1.00 0.00 C ATOM 856 C GLU A 51 22.362 7.644 -10.347 1.00 0.00 C ATOM 857 O GLU A 51 22.867 7.215 -11.384 1.00 0.00 O ATOM 858 CB GLU A 51 22.171 6.713 -8.008 1.00 0.00 C ATOM 859 CG GLU A 51 22.737 5.364 -7.593 1.00 0.00 C ATOM 860 CD GLU A 51 22.607 4.318 -8.681 1.00 0.00 C ATOM 861 OE1 GLU A 51 21.571 4.314 -9.381 1.00 0.00 O ATOM 862 OE2 GLU A 51 23.538 3.501 -8.835 1.00 0.00 O ATOM 0 H GLU A 51 22.618 9.099 -7.790 1.00 0.00 H new ATOM 0 HA GLU A 51 23.981 6.931 -9.210 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.023 7.325 -7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.190 6.563 -8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 51 23.788 5.481 -7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 51 22.221 5.018 -6.698 1.00 0.00 H new ATOM 869 N VAL A 52 21.196 8.269 -10.312 1.00 0.00 N ATOM 870 CA VAL A 52 20.382 8.522 -11.483 1.00 0.00 C ATOM 871 C VAL A 52 19.498 9.650 -11.125 1.00 0.00 C ATOM 872 O VAL A 52 19.444 10.015 -9.963 1.00 0.00 O ATOM 873 CB VAL A 52 19.465 7.321 -11.837 1.00 0.00 C ATOM 874 CG1 VAL A 52 19.759 6.144 -10.936 1.00 0.00 C ATOM 875 CG2 VAL A 52 17.976 7.675 -11.742 1.00 0.00 C ATOM 0 H VAL A 52 20.783 8.621 -9.448 1.00 0.00 H new ATOM 0 HA VAL A 52 21.033 8.714 -12.336 1.00 0.00 H new ATOM 0 HB VAL A 52 19.682 7.057 -12.872 1.00 0.00 H new ATOM 0 HG11 VAL A 52 19.106 5.312 -11.200 1.00 0.00 H new ATOM 0 HG12 VAL A 52 20.799 5.842 -11.059 1.00 0.00 H new ATOM 0 HG13 VAL A 52 19.584 6.428 -9.898 1.00 0.00 H new ATOM 0 HG21 VAL A 52 17.377 6.801 -11.999 1.00 0.00 H new ATOM 0 HG22 VAL A 52 17.741 7.990 -10.725 1.00 0.00 H new ATOM 0 HG23 VAL A 52 17.750 8.486 -12.434 1.00 0.00 H new ATOM 885 N THR A 53 18.717 10.134 -12.046 1.00 0.00 N ATOM 886 CA THR A 53 17.781 11.120 -11.639 1.00 0.00 C ATOM 887 C THR A 53 16.387 10.512 -11.688 1.00 0.00 C ATOM 888 O THR A 53 15.710 10.498 -12.716 1.00 0.00 O ATOM 889 CB THR A 53 17.948 12.335 -12.517 1.00 0.00 C ATOM 890 OG1 THR A 53 17.242 13.447 -11.994 1.00 0.00 O ATOM 891 CG2 THR A 53 17.505 12.125 -13.949 1.00 0.00 C ATOM 0 H THR A 53 18.710 9.875 -13.033 1.00 0.00 H new ATOM 0 HA THR A 53 17.947 11.449 -10.613 1.00 0.00 H new ATOM 0 HB THR A 53 19.021 12.525 -12.523 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.369 14.221 -12.582 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.657 13.044 -14.515 1.00 0.00 H new ATOM 0 HG22 THR A 53 18.090 11.322 -14.397 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.448 11.858 -13.968 1.00 0.00 H new ATOM 899 N TRP A 54 15.983 10.031 -10.518 1.00 0.00 N ATOM 900 CA TRP A 54 14.668 9.419 -10.304 1.00 0.00 C ATOM 901 C TRP A 54 14.078 9.852 -8.963 1.00 0.00 C ATOM 902 O TRP A 54 14.748 9.790 -7.935 1.00 0.00 O ATOM 903 CB TRP A 54 14.731 7.884 -10.366 1.00 0.00 C ATOM 904 CG TRP A 54 15.930 7.266 -9.700 1.00 0.00 C ATOM 905 CD1 TRP A 54 16.878 7.888 -8.937 1.00 0.00 C ATOM 906 CD2 TRP A 54 16.304 5.882 -9.744 1.00 0.00 C ATOM 907 NE1 TRP A 54 17.838 6.988 -8.543 1.00 0.00 N ATOM 908 CE2 TRP A 54 17.497 5.746 -9.010 1.00 0.00 C ATOM 909 CE3 TRP A 54 15.746 4.748 -10.340 1.00 0.00 C ATOM 910 CZ2 TRP A 54 18.141 4.520 -8.858 1.00 0.00 C ATOM 911 CZ3 TRP A 54 16.384 3.532 -10.185 1.00 0.00 C ATOM 912 CH2 TRP A 54 17.571 3.426 -9.449 1.00 0.00 C ATOM 0 H TRP A 54 16.563 10.053 -9.679 1.00 0.00 H new ATOM 0 HA TRP A 54 14.024 9.766 -11.112 1.00 0.00 H new ATOM 0 HB2 TRP A 54 13.830 7.480 -9.904 1.00 0.00 H new ATOM 0 HB3 TRP A 54 14.718 7.577 -11.412 1.00 0.00 H new ATOM 0 HD1 TRP A 54 16.873 8.937 -8.681 1.00 0.00 H new ATOM 0 HE1 TRP A 54 18.668 7.208 -7.993 1.00 0.00 H new ATOM 0 HE3 TRP A 54 14.832 4.821 -10.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 19.058 4.436 -8.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 15.960 2.648 -10.639 1.00 0.00 H new ATOM 0 HH2 TRP A 54 18.046 2.461 -9.346 1.00 0.00 H new ATOM 923 N LYS A 55 12.820 10.274 -8.975 1.00 0.00 N ATOM 924 CA LYS A 55 12.140 10.705 -7.751 1.00 0.00 C ATOM 925 C LYS A 55 10.968 9.827 -7.415 1.00 0.00 C ATOM 926 O LYS A 55 10.381 9.156 -8.264 1.00 0.00 O ATOM 927 CB LYS A 55 11.643 12.141 -7.777 1.00 0.00 C ATOM 928 CG LYS A 55 11.716 12.772 -9.144 1.00 0.00 C ATOM 929 CD LYS A 55 11.637 14.290 -9.071 1.00 0.00 C ATOM 930 CE LYS A 55 12.812 14.874 -8.303 1.00 0.00 C ATOM 931 NZ LYS A 55 13.364 16.086 -8.969 1.00 0.00 N ATOM 0 H LYS A 55 12.246 10.329 -9.817 1.00 0.00 H new ATOM 0 HA LYS A 55 12.917 10.625 -6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.611 12.168 -7.427 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.232 12.735 -7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.647 12.479 -9.630 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.901 12.395 -9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.619 14.703 -10.080 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.704 14.584 -8.589 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.494 15.128 -7.292 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.595 14.122 -8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.163 16.453 -8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.691 15.838 -9.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.624 16.814 -9.034 1.00 0.00 H new ATOM 945 N MET A 56 10.646 9.866 -6.150 1.00 0.00 N ATOM 946 CA MET A 56 9.537 9.104 -5.602 1.00 0.00 C ATOM 947 C MET A 56 8.231 9.569 -6.251 1.00 0.00 C ATOM 948 O MET A 56 8.235 10.523 -7.030 1.00 0.00 O ATOM 949 CB MET A 56 9.425 9.369 -4.110 1.00 0.00 C ATOM 950 CG MET A 56 10.042 10.680 -3.652 1.00 0.00 C ATOM 951 SD MET A 56 9.356 12.098 -4.531 1.00 0.00 S ATOM 952 CE MET A 56 7.671 12.092 -3.925 1.00 0.00 C ATOM 0 H MET A 56 11.144 10.428 -5.460 1.00 0.00 H new ATOM 0 HA MET A 56 9.710 8.045 -5.793 1.00 0.00 H new ATOM 0 HB2 MET A 56 8.371 9.362 -3.831 1.00 0.00 H new ATOM 0 HB3 MET A 56 9.903 8.550 -3.572 1.00 0.00 H new ATOM 0 HG2 MET A 56 9.877 10.803 -2.582 1.00 0.00 H new ATOM 0 HG3 MET A 56 11.120 10.646 -3.806 1.00 0.00 H new ATOM 0 HE1 MET A 56 6.981 12.042 -4.768 1.00 0.00 H new ATOM 0 HE2 MET A 56 7.519 11.227 -3.280 1.00 0.00 H new ATOM 0 HE3 MET A 56 7.485 13.004 -3.358 1.00 0.00 H new ATOM 962 N GLY A 57 7.112 8.920 -5.923 1.00 0.00 N ATOM 963 CA GLY A 57 5.851 9.332 -6.489 1.00 0.00 C ATOM 964 C GLY A 57 4.671 8.966 -5.614 1.00 0.00 C ATOM 965 O GLY A 57 3.523 9.161 -6.014 1.00 0.00 O ATOM 0 H GLY A 57 7.064 8.127 -5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.862 10.411 -6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.729 8.870 -7.469 1.00 0.00 H new ATOM 969 N ILE A 58 4.936 8.440 -4.412 1.00 0.00 N ATOM 970 CA ILE A 58 3.864 8.071 -3.510 1.00 0.00 C ATOM 971 C ILE A 58 2.943 7.136 -4.230 1.00 0.00 C ATOM 972 O ILE A 58 2.014 7.575 -4.911 1.00 0.00 O ATOM 973 CB ILE A 58 3.071 9.304 -3.109 1.00 0.00 C ATOM 974 CG1 ILE A 58 3.928 10.253 -2.262 1.00 0.00 C ATOM 975 CG2 ILE A 58 1.782 8.925 -2.382 1.00 0.00 C ATOM 976 CD1 ILE A 58 3.918 9.940 -0.776 1.00 0.00 C ATOM 0 H ILE A 58 5.875 8.266 -4.054 1.00 0.00 H new ATOM 0 HA ILE A 58 4.285 7.603 -2.620 1.00 0.00 H new ATOM 0 HB ILE A 58 2.789 9.830 -4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.956 10.216 -2.623 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.575 11.273 -2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.239 9.830 -2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.162 8.313 -3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.025 8.362 -1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.548 10.657 -0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.898 10.006 -0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.301 8.932 -0.614 1.00 0.00 H new ATOM 988 N ASN A 59 3.213 5.861 -4.142 1.00 0.00 N ATOM 989 CA ASN A 59 2.398 4.936 -4.865 1.00 0.00 C ATOM 990 C ASN A 59 0.952 4.958 -4.368 1.00 0.00 C ATOM 991 O ASN A 59 0.690 5.242 -3.199 1.00 0.00 O ATOM 992 CB ASN A 59 2.978 3.523 -4.811 1.00 0.00 C ATOM 993 CG ASN A 59 4.426 3.474 -5.259 1.00 0.00 C ATOM 994 OD1 ASN A 59 5.270 4.209 -4.746 1.00 0.00 O ATOM 995 ND2 ASN A 59 4.720 2.607 -6.220 1.00 0.00 N ATOM 0 H ASN A 59 3.969 5.452 -3.593 1.00 0.00 H new ATOM 0 HA ASN A 59 2.393 5.253 -5.908 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.903 3.141 -3.793 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.383 2.865 -5.443 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.678 2.530 -6.562 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.988 2.017 -6.616 1.00 0.00 H new ATOM 1002 N HIS A 60 0.016 4.666 -5.269 1.00 0.00 N ATOM 1003 CA HIS A 60 -1.408 4.662 -4.934 1.00 0.00 C ATOM 1004 C HIS A 60 -1.693 3.790 -3.713 1.00 0.00 C ATOM 1005 O HIS A 60 -2.294 4.239 -2.724 1.00 0.00 O ATOM 1006 CB HIS A 60 -2.231 4.169 -6.127 1.00 0.00 C ATOM 1007 CG HIS A 60 -1.705 2.909 -6.740 1.00 0.00 C ATOM 1008 ND1 HIS A 60 -2.196 1.658 -6.427 1.00 0.00 N ATOM 1009 CD2 HIS A 60 -0.725 2.708 -7.653 1.00 0.00 C ATOM 1010 CE1 HIS A 60 -1.541 0.744 -7.121 1.00 0.00 C ATOM 1011 NE2 HIS A 60 -0.644 1.355 -7.872 1.00 0.00 N ATOM 0 H HIS A 60 0.218 4.428 -6.240 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.695 5.686 -4.694 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.259 4.004 -5.805 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.256 4.950 -6.887 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.120 3.470 -8.122 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.711 -0.322 -7.081 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.005 0.896 -8.512 1.00 0.00 H new ATOM 1020 N LEU A 61 -1.263 2.539 -3.760 1.00 0.00 N ATOM 1021 CA LEU A 61 -1.503 1.673 -2.630 1.00 0.00 C ATOM 1022 C LEU A 61 -0.702 2.104 -1.438 1.00 0.00 C ATOM 1023 O LEU A 61 -0.864 1.523 -0.379 1.00 0.00 O ATOM 1024 CB LEU A 61 -1.212 0.197 -2.911 1.00 0.00 C ATOM 1025 CG LEU A 61 0.257 -0.246 -3.046 1.00 0.00 C ATOM 1026 CD1 LEU A 61 0.700 -0.206 -4.500 1.00 0.00 C ATOM 1027 CD2 LEU A 61 1.214 0.558 -2.172 1.00 0.00 C ATOM 0 H LEU A 61 -0.763 2.116 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.570 1.765 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.663 -0.389 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.727 -0.073 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 61 0.300 -1.274 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.740 -0.523 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.075 -0.877 -5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.603 0.810 -4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.231 0.194 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.163 1.611 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.933 0.445 -1.125 1.00 0.00 H new ATOM 1039 N ALA A 62 0.171 3.106 -1.582 1.00 0.00 N ATOM 1040 CA ALA A 62 0.967 3.521 -0.449 1.00 0.00 C ATOM 1041 C ALA A 62 0.091 3.988 0.684 1.00 0.00 C ATOM 1042 O ALA A 62 0.581 4.344 1.748 1.00 0.00 O ATOM 1043 CB ALA A 62 1.987 4.573 -0.772 1.00 0.00 C ATOM 0 H ALA A 62 0.334 3.623 -2.446 1.00 0.00 H new ATOM 0 HA ALA A 62 1.522 2.633 -0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.543 4.830 0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.676 4.193 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.485 5.462 -1.154 1.00 0.00 H new ATOM 1049 N ASP A 63 -1.212 3.931 0.470 1.00 0.00 N ATOM 1050 CA ASP A 63 -2.152 4.284 1.479 1.00 0.00 C ATOM 1051 C ASP A 63 -2.982 3.077 1.724 1.00 0.00 C ATOM 1052 O ASP A 63 -3.447 2.862 2.821 1.00 0.00 O ATOM 1053 CB ASP A 63 -2.987 5.465 1.019 1.00 0.00 C ATOM 1054 CG ASP A 63 -3.667 6.232 2.154 1.00 0.00 C ATOM 1055 OD1 ASP A 63 -3.014 6.441 3.198 1.00 0.00 O ATOM 1056 OD2 ASP A 63 -4.860 6.628 1.997 1.00 0.00 O ATOM 0 H ASP A 63 -1.632 3.637 -0.412 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.663 4.592 2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.349 6.152 0.463 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.751 5.108 0.328 1.00 0.00 H new ATOM 1061 N LEU A 64 -3.099 2.242 0.702 1.00 0.00 N ATOM 1062 CA LEU A 64 -3.813 1.009 0.858 1.00 0.00 C ATOM 1063 C LEU A 64 -3.065 -0.136 0.208 1.00 0.00 C ATOM 1064 O LEU A 64 -3.206 -0.424 -0.967 1.00 0.00 O ATOM 1065 CB LEU A 64 -5.167 1.113 0.239 1.00 0.00 C ATOM 1066 CG LEU A 64 -5.118 1.511 -1.234 1.00 0.00 C ATOM 1067 CD1 LEU A 64 -5.083 0.300 -2.129 1.00 0.00 C ATOM 1068 CD2 LEU A 64 -6.273 2.425 -1.602 1.00 0.00 C ATOM 0 H LEU A 64 -2.710 2.403 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.908 0.814 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.679 0.156 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.757 1.846 0.789 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.193 2.067 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.049 0.618 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.198 -0.295 -1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.977 -0.301 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.207 2.688 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.217 1.912 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.226 3.331 -0.998 1.00 0.00 H new ATOM 1080 N THR A 65 -2.295 -0.795 1.008 1.00 0.00 N ATOM 1081 CA THR A 65 -1.520 -1.951 0.567 1.00 0.00 C ATOM 1082 C THR A 65 -2.178 -3.203 1.116 1.00 0.00 C ATOM 1083 O THR A 65 -3.161 -3.091 1.834 1.00 0.00 O ATOM 1084 CB THR A 65 -0.062 -1.911 1.056 1.00 0.00 C ATOM 1085 OG1 THR A 65 0.105 -0.995 2.095 1.00 0.00 O ATOM 1086 CG2 THR A 65 0.933 -1.575 -0.028 1.00 0.00 C ATOM 0 H THR A 65 -2.172 -0.562 1.993 1.00 0.00 H new ATOM 0 HA THR A 65 -1.501 -1.943 -0.523 1.00 0.00 H new ATOM 0 HB THR A 65 0.139 -2.925 1.402 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.923 -1.209 2.591 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.939 -1.565 0.392 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.877 -2.324 -0.818 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.703 -0.593 -0.441 1.00 0.00 H new ATOM 1094 N PRO A 66 -1.623 -4.408 0.863 1.00 0.00 N ATOM 1095 CA PRO A 66 -2.140 -5.663 1.430 1.00 0.00 C ATOM 1096 C PRO A 66 -2.686 -5.437 2.832 1.00 0.00 C ATOM 1097 O PRO A 66 -3.635 -6.093 3.258 1.00 0.00 O ATOM 1098 CB PRO A 66 -0.876 -6.541 1.478 1.00 0.00 C ATOM 1099 CG PRO A 66 0.218 -5.586 1.138 1.00 0.00 C ATOM 1100 CD PRO A 66 -0.405 -4.694 0.126 1.00 0.00 C ATOM 0 HA PRO A 66 -2.960 -6.098 0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.731 -6.984 2.463 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.929 -7.362 0.764 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.551 -5.029 2.014 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.091 -6.101 0.737 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.188 -3.804 -0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.587 -5.189 -0.828 1.00 0.00 H new ATOM 1108 N GLU A 67 -2.101 -4.459 3.532 1.00 0.00 N ATOM 1109 CA GLU A 67 -2.566 -4.106 4.867 1.00 0.00 C ATOM 1110 C GLU A 67 -4.031 -3.782 4.759 1.00 0.00 C ATOM 1111 O GLU A 67 -4.899 -4.381 5.393 1.00 0.00 O ATOM 1112 CB GLU A 67 -1.887 -2.801 5.340 1.00 0.00 C ATOM 1113 CG GLU A 67 -0.564 -2.478 4.673 1.00 0.00 C ATOM 1114 CD GLU A 67 0.381 -3.664 4.612 1.00 0.00 C ATOM 1115 OE1 GLU A 67 0.184 -4.622 5.390 1.00 0.00 O ATOM 1116 OE2 GLU A 67 1.317 -3.636 3.786 1.00 0.00 O ATOM 0 H GLU A 67 -1.313 -3.906 3.196 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.350 -4.926 5.551 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.573 -1.972 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.726 -2.864 6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.753 -2.120 3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.081 -1.664 5.214 1.00 0.00 H new ATOM 1123 N GLU A 68 -4.254 -2.835 3.875 1.00 0.00 N ATOM 1124 CA GLU A 68 -5.572 -2.365 3.531 1.00 0.00 C ATOM 1125 C GLU A 68 -6.262 -3.346 2.600 1.00 0.00 C ATOM 1126 O GLU A 68 -7.408 -3.736 2.795 1.00 0.00 O ATOM 1127 CB GLU A 68 -5.462 -1.006 2.868 1.00 0.00 C ATOM 1128 CG GLU A 68 -6.797 -0.472 2.404 1.00 0.00 C ATOM 1129 CD GLU A 68 -7.192 -1.049 1.065 1.00 0.00 C ATOM 1130 OE1 GLU A 68 -6.273 -1.346 0.270 1.00 0.00 O ATOM 1131 OE2 GLU A 68 -8.404 -1.207 0.811 1.00 0.00 O ATOM 0 H GLU A 68 -3.507 -2.362 3.366 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.168 -2.280 4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.017 -0.300 3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.787 -1.076 2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.562 -0.710 3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.750 0.615 2.333 1.00 0.00 H new ATOM 1138 N PHE A 69 -5.521 -3.697 1.557 1.00 0.00 N ATOM 1139 CA PHE A 69 -5.980 -4.589 0.509 1.00 0.00 C ATOM 1140 C PHE A 69 -6.536 -5.889 1.087 1.00 0.00 C ATOM 1141 O PHE A 69 -7.548 -6.404 0.614 1.00 0.00 O ATOM 1142 CB PHE A 69 -4.799 -4.879 -0.429 1.00 0.00 C ATOM 1143 CG PHE A 69 -4.752 -4.016 -1.665 1.00 0.00 C ATOM 1144 CD1 PHE A 69 -5.639 -4.250 -2.703 1.00 0.00 C ATOM 1145 CD2 PHE A 69 -3.814 -2.982 -1.805 1.00 0.00 C ATOM 1146 CE1 PHE A 69 -5.604 -3.487 -3.853 1.00 0.00 C ATOM 1147 CE2 PHE A 69 -3.783 -2.220 -2.957 1.00 0.00 C ATOM 1148 CZ PHE A 69 -4.677 -2.472 -3.980 1.00 0.00 C ATOM 0 H PHE A 69 -4.568 -3.362 1.416 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.790 -4.111 -0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.870 -4.747 0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.842 -5.925 -0.733 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.369 -5.041 -2.611 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.113 -2.781 -1.008 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.302 -3.684 -4.653 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.058 -1.426 -3.058 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.651 -1.875 -4.879 1.00 0.00 H new ATOM 1158 N ALA A 70 -5.874 -6.411 2.112 1.00 0.00 N ATOM 1159 CA ALA A 70 -6.312 -7.646 2.752 1.00 0.00 C ATOM 1160 C ALA A 70 -7.417 -7.393 3.777 1.00 0.00 C ATOM 1161 O ALA A 70 -8.401 -8.130 3.835 1.00 0.00 O ATOM 1162 CB ALA A 70 -5.132 -8.347 3.408 1.00 0.00 C ATOM 0 H ALA A 70 -5.033 -6.000 2.518 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.725 -8.291 1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.473 -9.267 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.383 -8.584 2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.693 -7.693 4.161 1.00 0.00 H new ATOM 1168 N GLN A 71 -7.237 -6.362 4.598 1.00 0.00 N ATOM 1169 CA GLN A 71 -8.208 -6.027 5.638 1.00 0.00 C ATOM 1170 C GLN A 71 -9.423 -5.284 5.081 1.00 0.00 C ATOM 1171 O GLN A 71 -10.412 -5.089 5.789 1.00 0.00 O ATOM 1172 CB GLN A 71 -7.543 -5.182 6.727 1.00 0.00 C ATOM 1173 CG GLN A 71 -6.423 -5.904 7.459 1.00 0.00 C ATOM 1174 CD GLN A 71 -6.863 -7.240 8.025 1.00 0.00 C ATOM 1175 OE1 GLN A 71 -7.950 -7.360 8.589 1.00 0.00 O ATOM 1176 NE2 GLN A 71 -6.015 -8.251 7.881 1.00 0.00 N ATOM 0 H GLN A 71 -6.427 -5.743 4.564 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.562 -6.967 6.061 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.145 -4.273 6.277 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.299 -4.875 7.450 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.589 -6.060 6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.057 -5.273 8.269 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.124 -8.106 7.406 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.254 -9.173 8.245 1.00 0.00 H new ATOM 1185 N ARG A 72 -9.360 -4.882 3.817 1.00 0.00 N ATOM 1186 CA ARG A 72 -10.470 -4.179 3.190 1.00 0.00 C ATOM 1187 C ARG A 72 -11.434 -5.187 2.588 1.00 0.00 C ATOM 1188 O ARG A 72 -12.647 -4.978 2.565 1.00 0.00 O ATOM 1189 CB ARG A 72 -9.972 -3.206 2.115 1.00 0.00 C ATOM 1190 CG ARG A 72 -9.460 -3.891 0.855 1.00 0.00 C ATOM 1191 CD ARG A 72 -10.507 -3.880 -0.248 1.00 0.00 C ATOM 1192 NE ARG A 72 -10.407 -2.689 -1.088 1.00 0.00 N ATOM 1193 CZ ARG A 72 -9.512 -2.541 -2.063 1.00 0.00 C ATOM 1194 NH1 ARG A 72 -8.639 -3.506 -2.323 1.00 0.00 N ATOM 1195 NH2 ARG A 72 -9.491 -1.426 -2.779 1.00 0.00 N ATOM 0 H ARG A 72 -8.555 -5.031 3.209 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.987 -3.595 3.951 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.784 -2.530 1.846 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.174 -2.594 2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.558 -3.388 0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.183 -4.920 1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.391 -4.770 -0.866 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.501 -3.928 0.196 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.062 -1.925 -0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.651 -4.366 -1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.956 -3.388 -3.071 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.160 -0.682 -2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.806 -1.312 -3.526 1.00 0.00 H new