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 44 ASN : amide:sc= -5.17! C(o=-7.8!,f=-21!) USER MOD Set 1.2: A 56 MET CE :methyl -105:sc= -2.62 (180deg=-3.68!) USER MOD Set 2.1: A 19 LYS NZ :NH3+ 149:sc= -2.95! (180deg=-3.41!) USER MOD Set 2.2: A 21 TYR OH : rot -98:sc= -0.318! USER MOD Single : A 13 TYR OH : rot 30:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -102:sc= -0.153 (180deg=-2.13!) 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= -1.52 K(o=-1.5,f=-2.1) USER MOD Single : A 28 MET CE :methyl 158:sc= -0.803 (180deg=-1.3) USER MOD Single : A 33 TYR OH : rot 100:sc= -1.13 USER MOD Single : A 36 SER OG : rot -146:sc= 0.57 USER MOD Single : A 37 LYS NZ :NH3+ -159:sc= -1.32 (180deg=-1.95) USER MOD Single : A 43 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-3.2!) 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 59 ASN : amide:sc= -0.0207 X(o=-0.021,f=-0.021) USER MOD Single : A 60 HIS : no HD1:sc= -3.8! C(o=-3.8!,f=-4.2!) USER MOD Single : A 65 THR OG1 : rot 160:sc= -15.9! USER MOD Single : A 71 GLN : amide:sc= -0.365 X(o=-0.37,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 94 N ASP A 7 -4.932 9.710 7.139 1.00 0.00 N ATOM 95 CA ASP A 7 -5.785 10.005 5.989 1.00 0.00 C ATOM 96 C ASP A 7 -5.646 11.469 5.557 1.00 0.00 C ATOM 97 O ASP A 7 -5.977 11.827 4.427 1.00 0.00 O ATOM 98 CB ASP A 7 -7.246 9.698 6.324 1.00 0.00 C ATOM 99 CG ASP A 7 -7.739 10.477 7.527 1.00 0.00 C ATOM 100 OD1 ASP A 7 -8.164 11.638 7.350 1.00 0.00 O ATOM 101 OD2 ASP A 7 -7.700 9.925 8.647 1.00 0.00 O ATOM 0 HA ASP A 7 -5.464 9.373 5.161 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.871 9.932 5.462 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.355 8.631 6.516 1.00 0.00 H new ATOM 106 N GLU A 8 -5.178 12.311 6.479 1.00 0.00 N ATOM 107 CA GLU A 8 -5.015 13.742 6.229 1.00 0.00 C ATOM 108 C GLU A 8 -4.230 14.025 4.953 1.00 0.00 C ATOM 109 O GLU A 8 -4.715 14.710 4.051 1.00 0.00 O ATOM 110 CB GLU A 8 -4.270 14.371 7.406 1.00 0.00 C ATOM 111 CG GLU A 8 -4.946 14.140 8.748 1.00 0.00 C ATOM 112 CD GLU A 8 -3.957 13.803 9.848 1.00 0.00 C ATOM 113 OE1 GLU A 8 -2.759 14.116 9.685 1.00 0.00 O ATOM 114 OE2 GLU A 8 -4.382 13.227 10.872 1.00 0.00 O ATOM 0 H GLU A 8 -4.902 12.021 7.417 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.011 14.169 6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.259 13.966 7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.177 15.444 7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.505 15.033 9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.668 13.329 8.652 1.00 0.00 H new ATOM 121 N GLU A 9 -3.013 13.517 4.878 1.00 0.00 N ATOM 122 CA GLU A 9 -2.184 13.744 3.706 1.00 0.00 C ATOM 123 C GLU A 9 -2.756 13.029 2.487 1.00 0.00 C ATOM 124 O GLU A 9 -2.517 13.436 1.351 1.00 0.00 O ATOM 125 CB GLU A 9 -0.752 13.276 3.968 1.00 0.00 C ATOM 126 CG GLU A 9 0.266 13.865 3.004 1.00 0.00 C ATOM 127 CD GLU A 9 1.192 14.864 3.670 1.00 0.00 C ATOM 128 OE1 GLU A 9 1.717 14.552 4.760 1.00 0.00 O ATOM 129 OE2 GLU A 9 1.392 15.959 3.103 1.00 0.00 O ATOM 0 H GLU A 9 -2.579 12.950 5.606 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.174 14.815 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.472 13.543 4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.716 12.189 3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.859 13.059 2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.258 14.353 2.182 1.00 0.00 H new ATOM 136 N TRP A 10 -3.497 11.951 2.726 1.00 0.00 N ATOM 137 CA TRP A 10 -4.079 11.176 1.637 1.00 0.00 C ATOM 138 C TRP A 10 -5.409 11.736 1.125 1.00 0.00 C ATOM 139 O TRP A 10 -5.794 11.448 -0.008 1.00 0.00 O ATOM 140 CB TRP A 10 -4.254 9.708 2.013 1.00 0.00 C ATOM 141 CG TRP A 10 -4.448 8.856 0.801 1.00 0.00 C ATOM 142 CD1 TRP A 10 -5.633 8.430 0.290 1.00 0.00 C ATOM 143 CD2 TRP A 10 -3.428 8.345 -0.067 1.00 0.00 C ATOM 144 NE1 TRP A 10 -5.422 7.704 -0.854 1.00 0.00 N ATOM 145 CE2 TRP A 10 -4.075 7.626 -1.089 1.00 0.00 C ATOM 146 CE3 TRP A 10 -2.034 8.427 -0.082 1.00 0.00 C ATOM 147 CZ2 TRP A 10 -3.375 6.994 -2.113 1.00 0.00 C ATOM 148 CZ3 TRP A 10 -1.340 7.798 -1.098 1.00 0.00 C ATOM 149 CH2 TRP A 10 -2.010 7.090 -2.101 1.00 0.00 C ATOM 0 H TRP A 10 -3.707 11.596 3.659 1.00 0.00 H new ATOM 0 HA TRP A 10 -3.358 11.256 0.823 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.379 9.365 2.565 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -5.112 9.600 2.677 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.601 8.634 0.723 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -6.150 7.289 -1.436 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.507 8.973 0.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -3.891 6.448 -2.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.262 7.854 -1.118 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -1.439 6.610 -2.882 1.00 0.00 H new ATOM 160 N VAL A 11 -6.122 12.519 1.936 1.00 0.00 N ATOM 161 CA VAL A 11 -7.393 13.064 1.496 1.00 0.00 C ATOM 162 C VAL A 11 -7.132 14.023 0.374 1.00 0.00 C ATOM 163 O VAL A 11 -7.837 14.032 -0.636 1.00 0.00 O ATOM 164 CB VAL A 11 -8.185 13.781 2.619 1.00 0.00 C ATOM 165 CG1 VAL A 11 -7.263 14.548 3.549 1.00 0.00 C ATOM 166 CG2 VAL A 11 -9.222 14.716 2.017 1.00 0.00 C ATOM 0 H VAL A 11 -5.843 12.782 2.881 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.013 12.227 1.175 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.692 13.017 3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.853 15.038 4.324 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.557 13.858 4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.716 15.300 2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.771 15.213 2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.723 15.463 1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.916 14.142 1.402 1.00 0.00 H new ATOM 176 N GLU A 12 -6.099 14.823 0.547 1.00 0.00 N ATOM 177 CA GLU A 12 -5.743 15.767 -0.472 1.00 0.00 C ATOM 178 C GLU A 12 -5.340 15.010 -1.732 1.00 0.00 C ATOM 179 O GLU A 12 -5.521 15.480 -2.855 1.00 0.00 O ATOM 180 CB GLU A 12 -4.610 16.681 -0.001 1.00 0.00 C ATOM 181 CG GLU A 12 -5.086 18.044 0.477 1.00 0.00 C ATOM 182 CD GLU A 12 -5.976 17.953 1.702 1.00 0.00 C ATOM 183 OE1 GLU A 12 -5.655 17.160 2.611 1.00 0.00 O ATOM 184 OE2 GLU A 12 -6.994 18.676 1.751 1.00 0.00 O ATOM 0 H GLU A 12 -5.503 14.833 1.375 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.603 16.401 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.071 16.189 0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.902 16.819 -0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.222 18.667 0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.631 18.538 -0.328 1.00 0.00 H new ATOM 191 N TYR A 13 -4.792 13.822 -1.506 1.00 0.00 N ATOM 192 CA TYR A 13 -4.342 12.938 -2.577 1.00 0.00 C ATOM 193 C TYR A 13 -5.506 12.233 -3.276 1.00 0.00 C ATOM 194 O TYR A 13 -5.530 12.121 -4.501 1.00 0.00 O ATOM 195 CB TYR A 13 -3.370 11.900 -2.018 1.00 0.00 C ATOM 196 CG TYR A 13 -1.960 12.421 -1.853 1.00 0.00 C ATOM 197 CD1 TYR A 13 -1.721 13.652 -1.256 1.00 0.00 C ATOM 198 CD2 TYR A 13 -0.870 11.682 -2.294 1.00 0.00 C ATOM 199 CE1 TYR A 13 -0.434 14.133 -1.104 1.00 0.00 C ATOM 200 CE2 TYR A 13 0.420 12.156 -2.145 1.00 0.00 C ATOM 201 CZ TYR A 13 0.632 13.382 -1.549 1.00 0.00 C ATOM 202 OH TYR A 13 1.915 13.858 -1.400 1.00 0.00 O ATOM 0 H TYR A 13 -4.646 13.442 -0.571 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.841 13.557 -3.321 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.736 11.554 -1.051 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.354 11.035 -2.681 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.554 14.243 -0.905 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.033 10.722 -2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.265 15.093 -0.639 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.257 11.570 -2.493 1.00 0.00 H new ATOM 0 HH TYR A 13 1.962 14.429 -0.605 1.00 0.00 H new ATOM 212 N LYS A 14 -6.453 11.732 -2.485 1.00 0.00 N ATOM 213 CA LYS A 14 -7.605 11.000 -3.013 1.00 0.00 C ATOM 214 C LYS A 14 -8.303 11.761 -4.139 1.00 0.00 C ATOM 215 O LYS A 14 -8.831 11.154 -5.071 1.00 0.00 O ATOM 216 CB LYS A 14 -8.609 10.721 -1.889 1.00 0.00 C ATOM 217 CG LYS A 14 -8.157 9.642 -0.908 1.00 0.00 C ATOM 218 CD LYS A 14 -8.601 9.930 0.523 1.00 0.00 C ATOM 219 CE LYS A 14 -9.956 10.623 0.582 1.00 0.00 C ATOM 220 NZ LYS A 14 -10.605 10.460 1.914 1.00 0.00 N ATOM 0 H LYS A 14 -6.445 11.820 -1.469 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.232 10.062 -3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.790 11.645 -1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.559 10.421 -2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.558 8.679 -1.222 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.071 9.560 -0.938 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.650 8.995 1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.855 10.555 1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.831 11.684 0.366 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.607 10.215 -0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.340 9.727 1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.891 10.178 2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.037 11.361 2.202 1.00 0.00 H new ATOM 234 N SER A 15 -8.288 13.086 -4.065 1.00 0.00 N ATOM 235 CA SER A 15 -8.896 13.910 -5.084 1.00 0.00 C ATOM 236 C SER A 15 -8.032 13.886 -6.316 1.00 0.00 C ATOM 237 O SER A 15 -8.515 13.803 -7.445 1.00 0.00 O ATOM 238 CB SER A 15 -9.039 15.344 -4.587 1.00 0.00 C ATOM 239 OG SER A 15 -9.561 15.381 -3.270 1.00 0.00 O ATOM 0 H SER A 15 -7.857 13.609 -3.302 1.00 0.00 H new ATOM 0 HA SER A 15 -9.887 13.520 -5.318 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.068 15.838 -4.610 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.695 15.900 -5.257 1.00 0.00 H new ATOM 0 HG SER A 15 -9.641 16.312 -2.976 1.00 0.00 H new ATOM 245 N LYS A 16 -6.734 13.986 -6.072 1.00 0.00 N ATOM 246 CA LYS A 16 -5.769 14.007 -7.138 1.00 0.00 C ATOM 247 C LYS A 16 -5.443 12.607 -7.649 1.00 0.00 C ATOM 248 O LYS A 16 -4.738 12.453 -8.647 1.00 0.00 O ATOM 249 CB LYS A 16 -4.491 14.714 -6.688 1.00 0.00 C ATOM 250 CG LYS A 16 -4.741 16.065 -6.034 1.00 0.00 C ATOM 251 CD LYS A 16 -4.473 17.209 -6.998 1.00 0.00 C ATOM 252 CE LYS A 16 -4.497 18.554 -6.289 1.00 0.00 C ATOM 253 NZ LYS A 16 -4.947 19.650 -7.190 1.00 0.00 N ATOM 0 H LYS A 16 -6.332 14.054 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.216 14.561 -7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.959 14.073 -5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.839 14.852 -7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.772 16.116 -5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.102 16.170 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.503 17.065 -7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.221 17.201 -7.790 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.161 18.498 -5.427 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.501 18.782 -5.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.949 20.550 -6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.299 19.721 -8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.908 19.446 -7.532 1.00 0.00 H new ATOM 267 N PHE A 17 -5.940 11.586 -6.958 1.00 0.00 N ATOM 268 CA PHE A 17 -5.672 10.205 -7.353 1.00 0.00 C ATOM 269 C PHE A 17 -6.934 9.485 -7.829 1.00 0.00 C ATOM 270 O PHE A 17 -6.858 8.368 -8.341 1.00 0.00 O ATOM 271 CB PHE A 17 -5.042 9.436 -6.189 1.00 0.00 C ATOM 272 CG PHE A 17 -3.545 9.326 -6.281 1.00 0.00 C ATOM 273 CD1 PHE A 17 -2.933 9.008 -7.483 1.00 0.00 C ATOM 274 CD2 PHE A 17 -2.752 9.539 -5.165 1.00 0.00 C ATOM 275 CE1 PHE A 17 -1.557 8.907 -7.570 1.00 0.00 C ATOM 276 CE2 PHE A 17 -1.375 9.438 -5.246 1.00 0.00 C ATOM 277 CZ PHE A 17 -0.778 9.122 -6.450 1.00 0.00 C ATOM 0 H PHE A 17 -6.526 11.685 -6.129 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.976 10.238 -8.191 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.305 9.930 -5.253 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.470 8.434 -6.152 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.538 8.837 -8.361 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.214 9.787 -4.221 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.092 8.660 -8.513 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.768 9.606 -4.369 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.297 9.043 -6.516 1.00 0.00 H new ATOM 287 N ASP A 18 -8.091 10.116 -7.655 1.00 0.00 N ATOM 288 CA ASP A 18 -9.362 9.517 -8.067 1.00 0.00 C ATOM 289 C ASP A 18 -9.702 8.285 -7.222 1.00 0.00 C ATOM 290 O ASP A 18 -10.668 7.577 -7.505 1.00 0.00 O ATOM 291 CB ASP A 18 -9.321 9.140 -9.550 1.00 0.00 C ATOM 292 CG ASP A 18 -8.982 10.321 -10.438 1.00 0.00 C ATOM 293 OD1 ASP A 18 -9.723 11.326 -10.400 1.00 0.00 O ATOM 294 OD2 ASP A 18 -7.975 10.241 -11.173 1.00 0.00 O ATOM 0 H ASP A 18 -8.178 11.040 -7.233 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.143 10.261 -7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.583 8.352 -9.701 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.288 8.733 -9.845 1.00 0.00 H new ATOM 299 N LYS A 19 -8.915 8.048 -6.174 1.00 0.00 N ATOM 300 CA LYS A 19 -9.139 6.922 -5.274 1.00 0.00 C ATOM 301 C LYS A 19 -9.442 7.457 -3.882 1.00 0.00 C ATOM 302 O LYS A 19 -8.539 7.622 -3.061 1.00 0.00 O ATOM 303 CB LYS A 19 -7.908 6.013 -5.239 1.00 0.00 C ATOM 304 CG LYS A 19 -8.236 4.532 -5.362 1.00 0.00 C ATOM 305 CD LYS A 19 -7.298 3.828 -6.331 1.00 0.00 C ATOM 306 CE LYS A 19 -5.841 3.996 -5.924 1.00 0.00 C ATOM 307 NZ LYS A 19 -5.625 3.689 -4.483 1.00 0.00 N ATOM 0 H LYS A 19 -8.112 8.626 -5.928 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.984 6.333 -5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.236 6.295 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.370 6.180 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.167 4.061 -4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.265 4.414 -5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.545 2.767 -6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.444 4.227 -7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.217 3.341 -6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.523 5.018 -6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.668 3.304 -4.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.729 4.559 -3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.327 2.989 -4.168 1.00 0.00 H new ATOM 321 N ASN A 20 -10.708 7.775 -3.641 1.00 0.00 N ATOM 322 CA ASN A 20 -11.122 8.351 -2.369 1.00 0.00 C ATOM 323 C ASN A 20 -11.513 7.314 -1.322 1.00 0.00 C ATOM 324 O ASN A 20 -12.441 6.529 -1.514 1.00 0.00 O ATOM 325 CB ASN A 20 -12.286 9.315 -2.592 1.00 0.00 C ATOM 326 CG ASN A 20 -11.852 10.601 -3.269 1.00 0.00 C ATOM 327 OD1 ASN A 20 -11.545 11.592 -2.605 1.00 0.00 O ATOM 328 ND2 ASN A 20 -11.826 10.593 -4.596 1.00 0.00 N ATOM 0 H ASN A 20 -11.466 7.643 -4.311 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.253 8.878 -1.975 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.047 8.826 -3.201 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.748 9.551 -1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -11.544 11.430 -5.106 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.088 9.750 -5.106 1.00 0.00 H new ATOM 335 N TYR A 21 -10.825 7.376 -0.186 1.00 0.00 N ATOM 336 CA TYR A 21 -11.108 6.510 0.949 1.00 0.00 C ATOM 337 C TYR A 21 -10.606 7.184 2.230 1.00 0.00 C ATOM 338 O TYR A 21 -9.387 7.402 2.419 1.00 0.00 O ATOM 339 CB TYR A 21 -10.500 5.121 0.758 1.00 0.00 C ATOM 340 CG TYR A 21 -9.114 5.128 0.187 1.00 0.00 C ATOM 341 CD1 TYR A 21 -8.035 5.254 1.029 1.00 0.00 C ATOM 342 CD2 TYR A 21 -8.877 4.993 -1.174 1.00 0.00 C ATOM 343 CE1 TYR A 21 -6.755 5.245 0.549 1.00 0.00 C ATOM 344 CE2 TYR A 21 -7.586 4.984 -1.669 1.00 0.00 C ATOM 345 CZ TYR A 21 -6.527 5.109 -0.794 1.00 0.00 C ATOM 346 OH TYR A 21 -5.236 5.115 -1.258 1.00 0.00 O ATOM 0 H TYR A 21 -10.057 8.028 -0.028 1.00 0.00 H new ATOM 0 HA TYR A 21 -12.185 6.362 1.029 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.481 4.610 1.721 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.148 4.541 0.101 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.202 5.362 2.091 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.710 4.894 -1.854 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.923 5.345 1.230 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.409 4.880 -2.729 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.011 6.010 -1.586 1.00 0.00 H new ATOM 356 N GLU A 22 -11.594 7.550 3.063 1.00 0.00 N ATOM 357 CA GLU A 22 -11.406 8.275 4.325 1.00 0.00 C ATOM 358 C GLU A 22 -10.917 7.423 5.494 1.00 0.00 C ATOM 359 O GLU A 22 -10.682 6.224 5.370 1.00 0.00 O ATOM 360 CB GLU A 22 -12.716 8.965 4.717 1.00 0.00 C ATOM 361 CG GLU A 22 -12.563 10.454 4.983 1.00 0.00 C ATOM 362 CD GLU A 22 -13.176 10.877 6.304 1.00 0.00 C ATOM 363 OE1 GLU A 22 -14.320 10.463 6.587 1.00 0.00 O ATOM 364 OE2 GLU A 22 -12.512 11.621 7.056 1.00 0.00 O ATOM 0 H GLU A 22 -12.574 7.342 2.869 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.611 8.996 4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.446 8.820 3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.117 8.484 5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.504 10.713 4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.032 11.014 4.174 1.00 0.00 H new ATOM 371 N ALA A 23 -10.749 8.109 6.631 1.00 0.00 N ATOM 372 CA ALA A 23 -10.260 7.521 7.879 1.00 0.00 C ATOM 373 C ALA A 23 -10.852 6.146 8.187 1.00 0.00 C ATOM 374 O ALA A 23 -10.132 5.262 8.651 1.00 0.00 O ATOM 375 CB ALA A 23 -10.543 8.469 9.033 1.00 0.00 C ATOM 0 H ALA A 23 -10.953 9.105 6.708 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.188 7.372 7.751 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.179 8.030 9.962 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.037 9.418 8.857 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.617 8.639 9.109 1.00 0.00 H new ATOM 381 N GLU A 24 -12.152 5.951 7.960 1.00 0.00 N ATOM 382 CA GLU A 24 -12.761 4.655 8.262 1.00 0.00 C ATOM 383 C GLU A 24 -11.969 3.530 7.603 1.00 0.00 C ATOM 384 O GLU A 24 -11.456 2.639 8.280 1.00 0.00 O ATOM 385 CB GLU A 24 -14.213 4.623 7.783 1.00 0.00 C ATOM 386 CG GLU A 24 -15.084 3.636 8.542 1.00 0.00 C ATOM 387 CD GLU A 24 -14.841 2.200 8.121 1.00 0.00 C ATOM 388 OE1 GLU A 24 -13.860 1.596 8.607 1.00 0.00 O ATOM 389 OE2 GLU A 24 -15.630 1.679 7.306 1.00 0.00 O ATOM 0 H GLU A 24 -12.788 6.652 7.579 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.745 4.511 9.342 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.641 5.621 7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.231 4.370 6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.892 3.735 9.610 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.133 3.885 8.382 1.00 0.00 H new ATOM 396 N GLU A 25 -11.824 3.611 6.287 1.00 0.00 N ATOM 397 CA GLU A 25 -11.037 2.636 5.542 1.00 0.00 C ATOM 398 C GLU A 25 -9.552 2.916 5.749 1.00 0.00 C ATOM 399 O GLU A 25 -8.727 2.009 5.827 1.00 0.00 O ATOM 400 CB GLU A 25 -11.384 2.691 4.051 1.00 0.00 C ATOM 401 CG GLU A 25 -11.793 1.346 3.471 1.00 0.00 C ATOM 402 CD GLU A 25 -11.777 1.337 1.955 1.00 0.00 C ATOM 403 OE1 GLU A 25 -11.970 2.414 1.353 1.00 0.00 O ATOM 404 OE2 GLU A 25 -11.570 0.253 1.370 1.00 0.00 O ATOM 0 H GLU A 25 -12.242 4.343 5.712 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.270 1.637 5.909 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.195 3.404 3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.523 3.068 3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.119 0.574 3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.793 1.092 3.822 1.00 0.00 H new ATOM 411 N ASP A 26 -9.242 4.209 5.805 1.00 0.00 N ATOM 412 CA ASP A 26 -7.879 4.706 5.966 1.00 0.00 C ATOM 413 C ASP A 26 -7.189 4.192 7.219 1.00 0.00 C ATOM 414 O ASP A 26 -5.970 4.094 7.252 1.00 0.00 O ATOM 415 CB ASP A 26 -7.901 6.223 6.037 1.00 0.00 C ATOM 416 CG ASP A 26 -7.853 6.884 4.676 1.00 0.00 C ATOM 417 OD1 ASP A 26 -7.241 6.303 3.755 1.00 0.00 O ATOM 418 OD2 ASP A 26 -8.417 7.989 4.534 1.00 0.00 O ATOM 0 H ASP A 26 -9.940 4.950 5.739 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.319 4.343 5.104 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.804 6.543 6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.053 6.565 6.630 1.00 0.00 H new ATOM 423 N LEU A 27 -7.952 3.912 8.264 1.00 0.00 N ATOM 424 CA LEU A 27 -7.370 3.469 9.524 1.00 0.00 C ATOM 425 C LEU A 27 -6.354 2.349 9.311 1.00 0.00 C ATOM 426 O LEU A 27 -5.179 2.477 9.687 1.00 0.00 O ATOM 427 CB LEU A 27 -8.496 3.012 10.436 1.00 0.00 C ATOM 428 CG LEU A 27 -8.270 3.292 11.916 1.00 0.00 C ATOM 429 CD1 LEU A 27 -9.493 3.952 12.534 1.00 0.00 C ATOM 430 CD2 LEU A 27 -7.916 2.011 12.657 1.00 0.00 C ATOM 0 H LEU A 27 -8.970 3.983 8.267 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.831 4.298 9.983 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.419 3.501 10.124 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.642 1.940 10.301 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.431 3.982 12.007 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.308 4.142 13.591 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.694 4.895 12.025 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.354 3.292 12.429 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.759 2.233 13.713 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.731 1.294 12.554 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.005 1.587 12.236 1.00 0.00 H new ATOM 442 N MET A 28 -6.777 1.286 8.648 1.00 0.00 N ATOM 443 CA MET A 28 -5.865 0.196 8.339 1.00 0.00 C ATOM 444 C MET A 28 -4.822 0.714 7.360 1.00 0.00 C ATOM 445 O MET A 28 -3.671 0.267 7.334 1.00 0.00 O ATOM 446 CB MET A 28 -6.618 -0.993 7.739 1.00 0.00 C ATOM 447 CG MET A 28 -7.297 -0.677 6.418 1.00 0.00 C ATOM 448 SD MET A 28 -8.945 -1.398 6.291 1.00 0.00 S ATOM 449 CE MET A 28 -9.824 -0.449 7.530 1.00 0.00 C ATOM 0 H MET A 28 -7.733 1.154 8.317 1.00 0.00 H new ATOM 0 HA MET A 28 -5.383 -0.151 9.253 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.920 -1.817 7.592 1.00 0.00 H new ATOM 0 HB3 MET A 28 -7.369 -1.334 8.452 1.00 0.00 H new ATOM 0 HG2 MET A 28 -7.368 0.404 6.301 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.679 -1.047 5.599 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.893 -0.479 7.321 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.635 -0.874 8.516 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.479 0.585 7.509 1.00 0.00 H new ATOM 459 N ARG A 29 -5.245 1.693 6.567 1.00 0.00 N ATOM 460 CA ARG A 29 -4.379 2.317 5.592 1.00 0.00 C ATOM 461 C ARG A 29 -3.363 3.220 6.281 1.00 0.00 C ATOM 462 O ARG A 29 -2.292 3.486 5.744 1.00 0.00 O ATOM 463 CB ARG A 29 -5.196 3.144 4.620 1.00 0.00 C ATOM 464 CG ARG A 29 -5.856 2.346 3.498 1.00 0.00 C ATOM 465 CD ARG A 29 -7.225 2.902 3.127 1.00 0.00 C ATOM 466 NE ARG A 29 -7.653 2.435 1.807 1.00 0.00 N ATOM 467 CZ ARG A 29 -8.471 1.401 1.605 1.00 0.00 C ATOM 468 NH1 ARG A 29 -9.074 0.805 2.628 1.00 0.00 N ATOM 469 NH2 ARG A 29 -8.684 0.957 0.372 1.00 0.00 N ATOM 0 H ARG A 29 -6.193 2.069 6.587 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.854 1.530 5.051 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.971 3.672 5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.550 3.901 4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.211 2.356 2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.959 1.306 3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.957 2.600 3.876 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.191 3.991 3.136 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.303 2.933 0.989 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.913 1.137 3.579 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.698 0.015 2.463 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.222 1.406 -0.419 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.309 0.166 0.216 1.00 0.00 H new ATOM 483 N ARG A 30 -3.698 3.692 7.482 1.00 0.00 N ATOM 484 CA ARG A 30 -2.796 4.554 8.230 1.00 0.00 C ATOM 485 C ARG A 30 -1.436 3.887 8.288 1.00 0.00 C ATOM 486 O ARG A 30 -0.395 4.535 8.193 1.00 0.00 O ATOM 487 CB ARG A 30 -3.314 4.789 9.653 1.00 0.00 C ATOM 488 CG ARG A 30 -4.671 5.470 9.718 1.00 0.00 C ATOM 489 CD ARG A 30 -4.554 6.970 9.510 1.00 0.00 C ATOM 490 NE ARG A 30 -5.783 7.672 9.872 1.00 0.00 N ATOM 491 CZ ARG A 30 -6.136 7.950 11.124 1.00 0.00 C ATOM 492 NH1 ARG A 30 -5.358 7.587 12.136 1.00 0.00 N ATOM 493 NH2 ARG A 30 -7.270 8.593 11.365 1.00 0.00 N ATOM 0 H ARG A 30 -4.581 3.491 7.951 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.729 5.521 7.732 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.376 3.830 10.168 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.589 5.396 10.196 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.328 5.047 8.958 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.133 5.271 10.685 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.728 7.355 10.107 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.315 7.173 8.466 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.407 7.966 9.121 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.484 7.092 11.956 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.634 7.803 13.094 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.871 8.874 10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.541 8.806 12.325 1.00 0.00 H new ATOM 507 N ARG A 31 -1.472 2.566 8.424 1.00 0.00 N ATOM 508 CA ARG A 31 -0.260 1.764 8.472 1.00 0.00 C ATOM 509 C ARG A 31 0.420 1.688 7.100 1.00 0.00 C ATOM 510 O ARG A 31 1.657 1.652 7.012 1.00 0.00 O ATOM 511 CB ARG A 31 -0.578 0.352 8.970 1.00 0.00 C ATOM 512 CG ARG A 31 -1.466 0.323 10.203 1.00 0.00 C ATOM 513 CD ARG A 31 -0.645 0.336 11.483 1.00 0.00 C ATOM 514 NE ARG A 31 -1.422 -0.112 12.636 1.00 0.00 N ATOM 515 CZ ARG A 31 -0.997 -0.028 13.895 1.00 0.00 C ATOM 516 NH1 ARG A 31 0.197 0.484 14.168 1.00 0.00 N ATOM 517 NH2 ARG A 31 -1.768 -0.460 14.884 1.00 0.00 N ATOM 0 H ARG A 31 -2.334 2.027 8.503 1.00 0.00 H new ATOM 0 HA ARG A 31 0.428 2.248 9.165 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.065 -0.205 8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.356 -0.163 9.194 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.136 1.183 10.190 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.092 -0.569 10.180 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.227 -0.307 11.361 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.274 1.345 11.666 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.345 -0.513 12.467 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.795 0.816 13.411 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.517 0.546 15.135 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.685 -0.856 14.680 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.443 -0.396 15.849 1.00 0.00 H new ATOM 531 N ILE A 32 -0.370 1.693 6.019 1.00 0.00 N ATOM 532 CA ILE A 32 0.215 1.634 4.688 1.00 0.00 C ATOM 533 C ILE A 32 0.673 3.005 4.296 1.00 0.00 C ATOM 534 O ILE A 32 1.674 3.177 3.618 1.00 0.00 O ATOM 535 CB ILE A 32 -0.740 1.011 3.649 1.00 0.00 C ATOM 536 CG1 ILE A 32 -0.547 1.624 2.289 1.00 0.00 C ATOM 537 CG2 ILE A 32 -2.166 1.106 4.069 1.00 0.00 C ATOM 538 CD1 ILE A 32 0.833 1.433 1.773 1.00 0.00 C ATOM 0 H ILE A 32 -1.389 1.736 6.043 1.00 0.00 H new ATOM 0 HA ILE A 32 1.078 0.968 4.713 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.486 -0.047 3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.258 1.183 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.769 2.690 2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.801 0.655 3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.303 0.579 5.014 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.439 2.154 4.195 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.920 1.893 0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.544 1.898 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.048 0.367 1.695 1.00 0.00 H new ATOM 550 N TYR A 33 -0.052 3.985 4.743 1.00 0.00 N ATOM 551 CA TYR A 33 0.320 5.337 4.452 1.00 0.00 C ATOM 552 C TYR A 33 1.700 5.663 5.025 1.00 0.00 C ATOM 553 O TYR A 33 2.452 6.456 4.452 1.00 0.00 O ATOM 554 CB TYR A 33 -0.701 6.347 4.964 1.00 0.00 C ATOM 555 CG TYR A 33 -0.658 7.636 4.176 1.00 0.00 C ATOM 556 CD1 TYR A 33 0.238 7.783 3.122 1.00 0.00 C ATOM 557 CD2 TYR A 33 -1.503 8.694 4.469 1.00 0.00 C ATOM 558 CE1 TYR A 33 0.286 8.938 2.380 1.00 0.00 C ATOM 559 CE2 TYR A 33 -1.462 9.861 3.730 1.00 0.00 C ATOM 560 CZ TYR A 33 -0.568 9.977 2.682 1.00 0.00 C ATOM 561 OH TYR A 33 -0.518 11.139 1.946 1.00 0.00 O ATOM 0 H TYR A 33 -0.896 3.877 5.305 1.00 0.00 H new ATOM 0 HA TYR A 33 0.352 5.418 3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.701 5.917 4.903 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.508 6.557 6.016 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.910 6.972 2.882 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.203 8.606 5.286 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.989 9.031 1.565 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.125 10.679 3.970 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.240 11.138 1.283 1.00 0.00 H new ATOM 571 N ALA A 34 2.026 5.057 6.167 1.00 0.00 N ATOM 572 CA ALA A 34 3.308 5.302 6.822 1.00 0.00 C ATOM 573 C ALA A 34 4.480 5.048 5.894 1.00 0.00 C ATOM 574 O ALA A 34 5.365 5.892 5.741 1.00 0.00 O ATOM 575 CB ALA A 34 3.432 4.455 8.080 1.00 0.00 C ATOM 0 H ALA A 34 1.422 4.396 6.655 1.00 0.00 H new ATOM 0 HA ALA A 34 3.336 6.356 7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.393 4.649 8.556 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.627 4.708 8.770 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.365 3.400 7.816 1.00 0.00 H new ATOM 581 N GLU A 35 4.469 3.897 5.266 1.00 0.00 N ATOM 582 CA GLU A 35 5.525 3.532 4.325 1.00 0.00 C ATOM 583 C GLU A 35 5.617 4.532 3.177 1.00 0.00 C ATOM 584 O GLU A 35 6.683 4.722 2.597 1.00 0.00 O ATOM 585 CB GLU A 35 5.264 2.153 3.753 1.00 0.00 C ATOM 586 CG GLU A 35 3.806 1.937 3.430 1.00 0.00 C ATOM 587 CD GLU A 35 3.259 0.698 4.111 1.00 0.00 C ATOM 588 OE1 GLU A 35 3.162 0.700 5.355 1.00 0.00 O ATOM 589 OE2 GLU A 35 2.941 -0.280 3.402 1.00 0.00 O ATOM 0 H GLU A 35 3.744 3.189 5.383 1.00 0.00 H new ATOM 0 HA GLU A 35 6.467 3.537 4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.859 2.018 2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.592 1.397 4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.231 2.808 3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.682 1.844 2.351 1.00 0.00 H new ATOM 596 N SER A 36 4.484 5.137 2.821 1.00 0.00 N ATOM 597 CA SER A 36 4.434 6.073 1.698 1.00 0.00 C ATOM 598 C SER A 36 5.547 7.107 1.779 1.00 0.00 C ATOM 599 O SER A 36 6.329 7.249 0.841 1.00 0.00 O ATOM 600 CB SER A 36 3.075 6.776 1.658 1.00 0.00 C ATOM 601 OG SER A 36 3.148 8.080 2.213 1.00 0.00 O ATOM 0 H SER A 36 3.591 4.996 3.293 1.00 0.00 H new ATOM 0 HA SER A 36 4.575 5.498 0.783 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.726 6.837 0.627 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.342 6.186 2.208 1.00 0.00 H new ATOM 0 HG SER A 36 2.304 8.291 2.664 1.00 0.00 H new ATOM 607 N LYS A 37 5.642 7.814 2.894 1.00 0.00 N ATOM 608 CA LYS A 37 6.707 8.803 3.038 1.00 0.00 C ATOM 609 C LYS A 37 8.056 8.113 2.902 1.00 0.00 C ATOM 610 O LYS A 37 8.962 8.623 2.242 1.00 0.00 O ATOM 611 CB LYS A 37 6.638 9.530 4.374 1.00 0.00 C ATOM 612 CG LYS A 37 5.243 9.612 4.981 1.00 0.00 C ATOM 613 CD LYS A 37 4.211 10.100 3.970 1.00 0.00 C ATOM 614 CE LYS A 37 4.043 11.610 4.018 1.00 0.00 C ATOM 615 NZ LYS A 37 2.887 12.066 3.195 1.00 0.00 N ATOM 0 H LYS A 37 5.015 7.729 3.694 1.00 0.00 H new ATOM 0 HA LYS A 37 6.579 9.547 2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.298 9.027 5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.023 10.541 4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.951 8.630 5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.259 10.286 5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.515 9.800 2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.252 9.621 4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.901 11.927 5.051 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.955 12.088 3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.005 13.072 2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.842 11.507 2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.006 11.938 3.733 1.00 0.00 H new ATOM 629 N ALA A 38 8.174 6.925 3.501 1.00 0.00 N ATOM 630 CA ALA A 38 9.406 6.150 3.407 1.00 0.00 C ATOM 631 C ALA A 38 9.795 6.009 1.949 1.00 0.00 C ATOM 632 O ALA A 38 10.968 6.055 1.580 1.00 0.00 O ATOM 633 CB ALA A 38 9.231 4.784 4.053 1.00 0.00 C ATOM 0 H ALA A 38 7.436 6.485 4.051 1.00 0.00 H new ATOM 0 HA ALA A 38 10.201 6.670 3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.161 4.222 3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.973 4.909 5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.434 4.241 3.546 1.00 0.00 H new ATOM 639 N ARG A 39 8.768 5.864 1.136 1.00 0.00 N ATOM 640 CA ARG A 39 8.904 5.742 -0.298 1.00 0.00 C ATOM 641 C ARG A 39 9.300 7.073 -0.905 1.00 0.00 C ATOM 642 O ARG A 39 9.996 7.135 -1.908 1.00 0.00 O ATOM 643 CB ARG A 39 7.589 5.277 -0.875 1.00 0.00 C ATOM 644 CG ARG A 39 6.973 4.149 -0.066 1.00 0.00 C ATOM 645 CD ARG A 39 7.079 2.818 -0.791 1.00 0.00 C ATOM 646 NE ARG A 39 6.851 1.686 0.104 1.00 0.00 N ATOM 647 CZ ARG A 39 5.645 1.262 0.472 1.00 0.00 C ATOM 648 NH1 ARG A 39 4.554 1.874 0.029 1.00 0.00 N ATOM 649 NH2 ARG A 39 5.529 0.221 1.286 1.00 0.00 N ATOM 0 H ARG A 39 7.802 5.827 1.460 1.00 0.00 H new ATOM 0 HA ARG A 39 9.684 5.017 -0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.894 6.116 -0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.742 4.944 -1.901 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.473 4.078 0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.925 4.373 0.133 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.353 2.789 -1.604 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.067 2.729 -1.243 1.00 0.00 H new ATOM 0 HE ARG A 39 7.665 1.191 0.468 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.637 2.675 -0.598 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.632 1.544 0.315 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.364 -0.254 1.629 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.605 -0.105 1.569 1.00 0.00 H new ATOM 663 N ILE A 40 8.839 8.150 -0.300 1.00 0.00 N ATOM 664 CA ILE A 40 9.165 9.470 -0.801 1.00 0.00 C ATOM 665 C ILE A 40 10.644 9.715 -0.595 1.00 0.00 C ATOM 666 O ILE A 40 11.325 10.319 -1.421 1.00 0.00 O ATOM 667 CB ILE A 40 8.273 10.527 -0.147 1.00 0.00 C ATOM 668 CG1 ILE A 40 6.807 10.234 -0.520 1.00 0.00 C ATOM 669 CG2 ILE A 40 8.678 11.931 -0.578 1.00 0.00 C ATOM 670 CD1 ILE A 40 6.617 9.162 -1.598 1.00 0.00 C ATOM 0 H ILE A 40 8.245 8.138 0.529 1.00 0.00 H new ATOM 0 HA ILE A 40 8.966 9.538 -1.870 1.00 0.00 H new ATOM 0 HB ILE A 40 8.390 10.481 0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.274 9.923 0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.343 11.159 -0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.027 12.661 -0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.711 12.118 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.586 12.020 -1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.553 9.026 -1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.116 9.475 -2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.046 8.221 -1.255 1.00 0.00 H new ATOM 682 N GLU A 41 11.134 9.142 0.483 1.00 0.00 N ATOM 683 CA GLU A 41 12.551 9.168 0.813 1.00 0.00 C ATOM 684 C GLU A 41 13.289 8.236 -0.154 1.00 0.00 C ATOM 685 O GLU A 41 14.495 8.347 -0.370 1.00 0.00 O ATOM 686 CB GLU A 41 12.778 8.724 2.260 1.00 0.00 C ATOM 687 CG GLU A 41 12.671 9.857 3.267 1.00 0.00 C ATOM 688 CD GLU A 41 13.918 10.719 3.309 1.00 0.00 C ATOM 689 OE1 GLU A 41 14.496 10.981 2.233 1.00 0.00 O ATOM 690 OE2 GLU A 41 14.316 11.133 4.418 1.00 0.00 O ATOM 0 H GLU A 41 10.561 8.641 1.162 1.00 0.00 H new ATOM 0 HA GLU A 41 12.933 10.184 0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.050 7.954 2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.765 8.269 2.341 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.812 10.480 3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.487 9.442 4.258 1.00 0.00 H new ATOM 697 N GLU A 42 12.526 7.267 -0.662 1.00 0.00 N ATOM 698 CA GLU A 42 13.010 6.205 -1.544 1.00 0.00 C ATOM 699 C GLU A 42 13.769 6.682 -2.786 1.00 0.00 C ATOM 700 O GLU A 42 14.960 6.410 -2.942 1.00 0.00 O ATOM 701 CB GLU A 42 11.744 5.512 -2.073 1.00 0.00 C ATOM 702 CG GLU A 42 11.981 4.400 -3.075 1.00 0.00 C ATOM 703 CD GLU A 42 11.331 3.092 -2.666 1.00 0.00 C ATOM 704 OE1 GLU A 42 10.244 3.137 -2.052 1.00 0.00 O ATOM 705 OE2 GLU A 42 11.909 2.025 -2.958 1.00 0.00 O ATOM 0 H GLU A 42 11.527 7.198 -0.466 1.00 0.00 H new ATOM 0 HA GLU A 42 13.700 5.591 -0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.193 5.103 -1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.105 6.264 -2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.594 4.705 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.054 4.246 -3.193 1.00 0.00 H new ATOM 712 N HIS A 43 13.070 7.362 -3.674 1.00 0.00 N ATOM 713 CA HIS A 43 13.661 7.828 -4.917 1.00 0.00 C ATOM 714 C HIS A 43 14.432 9.119 -4.743 1.00 0.00 C ATOM 715 O HIS A 43 15.397 9.382 -5.460 1.00 0.00 O ATOM 716 CB HIS A 43 12.563 8.018 -5.947 1.00 0.00 C ATOM 717 CG HIS A 43 11.987 6.732 -6.454 1.00 0.00 C ATOM 718 ND1 HIS A 43 10.886 6.126 -5.888 1.00 0.00 N ATOM 719 CD2 HIS A 43 12.366 5.935 -7.482 1.00 0.00 C ATOM 720 CE1 HIS A 43 10.614 5.011 -6.544 1.00 0.00 C ATOM 721 NE2 HIS A 43 11.497 4.873 -7.516 1.00 0.00 N ATOM 0 H HIS A 43 12.086 7.606 -3.558 1.00 0.00 H new ATOM 0 HA HIS A 43 14.373 7.074 -5.252 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.764 8.616 -5.508 1.00 0.00 H new ATOM 0 HB3 HIS A 43 12.960 8.585 -6.789 1.00 0.00 H new ATOM 0 HD2 HIS A 43 13.197 6.104 -8.150 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.807 4.329 -6.323 1.00 0.00 H new ATOM 0 HE2 HIS A 43 11.528 4.102 -8.184 1.00 0.00 H new ATOM 730 N ASN A 44 13.980 9.933 -3.812 1.00 0.00 N ATOM 731 CA ASN A 44 14.605 11.213 -3.572 1.00 0.00 C ATOM 732 C ASN A 44 16.033 11.055 -3.093 1.00 0.00 C ATOM 733 O ASN A 44 16.868 11.915 -3.354 1.00 0.00 O ATOM 734 CB ASN A 44 13.776 12.018 -2.591 1.00 0.00 C ATOM 735 CG ASN A 44 12.981 13.083 -3.309 1.00 0.00 C ATOM 736 OD1 ASN A 44 11.898 12.817 -3.837 1.00 0.00 O ATOM 737 ND2 ASN A 44 13.541 14.284 -3.370 1.00 0.00 N ATOM 0 H ASN A 44 13.182 9.729 -3.210 1.00 0.00 H new ATOM 0 HA ASN A 44 14.648 11.757 -4.516 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.100 11.356 -2.050 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.428 12.482 -1.851 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.074 15.040 -3.871 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.439 14.452 -2.916 1.00 0.00 H new ATOM 744 N ARG A 45 16.305 9.950 -2.408 1.00 0.00 N ATOM 745 CA ARG A 45 17.645 9.660 -1.911 1.00 0.00 C ATOM 746 C ARG A 45 18.466 8.903 -2.961 1.00 0.00 C ATOM 747 O ARG A 45 19.689 8.796 -2.862 1.00 0.00 O ATOM 748 CB ARG A 45 17.548 8.834 -0.630 1.00 0.00 C ATOM 749 CG ARG A 45 17.458 9.676 0.632 1.00 0.00 C ATOM 750 CD ARG A 45 18.769 10.388 0.919 1.00 0.00 C ATOM 751 NE ARG A 45 18.661 11.297 2.058 1.00 0.00 N ATOM 752 CZ ARG A 45 18.701 10.903 3.329 1.00 0.00 C ATOM 753 NH1 ARG A 45 18.844 9.618 3.628 1.00 0.00 N ATOM 754 NH2 ARG A 45 18.597 11.797 4.303 1.00 0.00 N ATOM 0 H ARG A 45 15.611 9.237 -2.183 1.00 0.00 H new ATOM 0 HA ARG A 45 18.149 10.603 -1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 45 16.672 8.189 -0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 45 18.419 8.183 -0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.660 10.410 0.525 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.195 9.040 1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.546 9.650 1.117 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.078 10.948 0.036 1.00 0.00 H new ATOM 0 HE ARG A 45 18.548 12.293 1.868 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.924 8.927 2.882 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.874 9.322 4.604 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.486 12.786 4.078 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.628 11.496 5.277 1.00 0.00 H new ATOM 768 N LYS A 46 17.759 8.341 -3.936 1.00 0.00 N ATOM 769 CA LYS A 46 18.357 7.529 -5.001 1.00 0.00 C ATOM 770 C LYS A 46 19.224 8.321 -5.995 1.00 0.00 C ATOM 771 O LYS A 46 20.428 8.077 -6.107 1.00 0.00 O ATOM 772 CB LYS A 46 17.202 6.883 -5.730 1.00 0.00 C ATOM 773 CG LYS A 46 17.130 5.374 -5.563 1.00 0.00 C ATOM 774 CD LYS A 46 15.712 4.860 -5.759 1.00 0.00 C ATOM 775 CE LYS A 46 15.701 3.377 -6.092 1.00 0.00 C ATOM 776 NZ LYS A 46 15.583 2.534 -4.871 1.00 0.00 N ATOM 0 H LYS A 46 16.746 8.434 -4.014 1.00 0.00 H new ATOM 0 HA LYS A 46 19.040 6.810 -4.549 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.270 7.322 -5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 46 17.280 7.117 -6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 46 17.795 4.895 -6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 46 17.484 5.099 -4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.131 5.035 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.229 5.418 -6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.869 3.162 -6.763 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.616 3.118 -6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.579 1.530 -5.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.390 2.720 -4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.698 2.762 -4.376 1.00 0.00 H new ATOM 790 N PHE A 47 18.648 9.322 -6.662 1.00 0.00 N ATOM 791 CA PHE A 47 19.425 10.165 -7.563 1.00 0.00 C ATOM 792 C PHE A 47 20.347 10.915 -6.680 1.00 0.00 C ATOM 793 O PHE A 47 21.506 11.175 -6.988 1.00 0.00 O ATOM 794 CB PHE A 47 18.577 11.139 -8.366 1.00 0.00 C ATOM 795 CG PHE A 47 17.717 12.042 -7.545 1.00 0.00 C ATOM 796 CD1 PHE A 47 16.442 11.650 -7.215 1.00 0.00 C ATOM 797 CD2 PHE A 47 18.168 13.284 -7.129 1.00 0.00 C ATOM 798 CE1 PHE A 47 15.616 12.474 -6.479 1.00 0.00 C ATOM 799 CE2 PHE A 47 17.350 14.119 -6.394 1.00 0.00 C ATOM 800 CZ PHE A 47 16.070 13.713 -6.068 1.00 0.00 C ATOM 0 H PHE A 47 17.659 9.565 -6.595 1.00 0.00 H new ATOM 0 HA PHE A 47 19.932 9.549 -8.306 1.00 0.00 H new ATOM 0 HB2 PHE A 47 19.236 11.750 -8.983 1.00 0.00 H new ATOM 0 HB3 PHE A 47 17.940 10.571 -9.044 1.00 0.00 H new ATOM 0 HD1 PHE A 47 16.082 10.684 -7.536 1.00 0.00 H new ATOM 0 HD2 PHE A 47 19.169 13.602 -7.382 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.617 12.152 -6.225 1.00 0.00 H new ATOM 0 HE2 PHE A 47 17.709 15.086 -6.075 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.426 14.362 -5.493 1.00 0.00 H new ATOM 810 N GLU A 48 19.793 11.177 -5.518 1.00 0.00 N ATOM 811 CA GLU A 48 20.487 11.803 -4.452 1.00 0.00 C ATOM 812 C GLU A 48 21.799 11.049 -4.211 1.00 0.00 C ATOM 813 O GLU A 48 22.708 11.539 -3.540 1.00 0.00 O ATOM 814 CB GLU A 48 19.577 11.734 -3.234 1.00 0.00 C ATOM 815 CG GLU A 48 19.180 13.098 -2.691 1.00 0.00 C ATOM 816 CD GLU A 48 18.638 13.027 -1.277 1.00 0.00 C ATOM 817 OE1 GLU A 48 17.410 12.861 -1.119 1.00 0.00 O ATOM 818 OE2 GLU A 48 19.441 13.140 -0.327 1.00 0.00 O ATOM 0 H GLU A 48 18.823 10.949 -5.298 1.00 0.00 H new ATOM 0 HA GLU A 48 20.732 12.842 -4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.675 11.180 -3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 48 20.079 11.171 -2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 48 20.046 13.759 -2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.427 13.539 -3.343 1.00 0.00 H new ATOM 825 N LYS A 49 21.874 9.841 -4.794 1.00 0.00 N ATOM 826 CA LYS A 49 23.043 8.986 -4.689 1.00 0.00 C ATOM 827 C LYS A 49 23.874 9.041 -5.963 1.00 0.00 C ATOM 828 O LYS A 49 24.673 8.141 -6.222 1.00 0.00 O ATOM 829 CB LYS A 49 22.620 7.541 -4.400 1.00 0.00 C ATOM 830 CG LYS A 49 23.146 7.004 -3.077 1.00 0.00 C ATOM 831 CD LYS A 49 24.644 7.225 -2.933 1.00 0.00 C ATOM 832 CE LYS A 49 24.949 8.384 -1.998 1.00 0.00 C ATOM 833 NZ LYS A 49 25.306 7.914 -0.630 1.00 0.00 N ATOM 0 H LYS A 49 21.119 9.440 -5.350 1.00 0.00 H new ATOM 0 HA LYS A 49 23.655 9.350 -3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.532 7.484 -4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.972 6.900 -5.208 1.00 0.00 H new ATOM 0 HG2 LYS A 49 22.626 7.493 -2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 49 22.927 5.939 -3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 49 25.112 6.317 -2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 49 25.080 7.422 -3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 49 25.771 8.973 -2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 49 24.082 9.043 -1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 25.507 8.734 -0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 24.512 7.373 -0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 26.148 7.306 -0.681 1.00 0.00 H new ATOM 847 N GLY A 50 23.661 10.078 -6.784 1.00 0.00 N ATOM 848 CA GLY A 50 24.391 10.167 -8.042 1.00 0.00 C ATOM 849 C GLY A 50 24.241 8.863 -8.783 1.00 0.00 C ATOM 850 O GLY A 50 25.145 8.390 -9.470 1.00 0.00 O ATOM 0 H GLY A 50 23.009 10.842 -6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 50 24.006 10.990 -8.644 1.00 0.00 H new ATOM 0 HA3 GLY A 50 25.444 10.375 -7.853 1.00 0.00 H new ATOM 854 N GLU A 51 23.081 8.268 -8.556 1.00 0.00 N ATOM 855 CA GLU A 51 22.720 6.978 -9.089 1.00 0.00 C ATOM 856 C GLU A 51 22.002 7.083 -10.438 1.00 0.00 C ATOM 857 O GLU A 51 22.478 6.574 -11.453 1.00 0.00 O ATOM 858 CB GLU A 51 21.819 6.312 -8.041 1.00 0.00 C ATOM 859 CG GLU A 51 22.346 4.975 -7.545 1.00 0.00 C ATOM 860 CD GLU A 51 22.146 3.860 -8.553 1.00 0.00 C ATOM 861 OE1 GLU A 51 21.101 3.859 -9.236 1.00 0.00 O ATOM 862 OE2 GLU A 51 23.036 2.989 -8.659 1.00 0.00 O ATOM 0 H GLU A 51 22.350 8.686 -7.980 1.00 0.00 H new ATOM 0 HA GLU A 51 23.617 6.389 -9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.705 6.986 -7.192 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.827 6.166 -8.468 1.00 0.00 H new ATOM 0 HG2 GLU A 51 23.408 5.069 -7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.843 4.713 -6.614 1.00 0.00 H new ATOM 869 N VAL A 52 20.855 7.742 -10.426 1.00 0.00 N ATOM 870 CA VAL A 52 20.028 7.945 -11.597 1.00 0.00 C ATOM 871 C VAL A 52 19.182 9.118 -11.297 1.00 0.00 C ATOM 872 O VAL A 52 19.170 9.566 -10.162 1.00 0.00 O ATOM 873 CB VAL A 52 19.073 6.750 -11.861 1.00 0.00 C ATOM 874 CG1 VAL A 52 19.360 5.621 -10.899 1.00 0.00 C ATOM 875 CG2 VAL A 52 17.597 7.147 -11.754 1.00 0.00 C ATOM 0 H VAL A 52 20.467 8.159 -9.580 1.00 0.00 H new ATOM 0 HA VAL A 52 20.668 8.065 -12.471 1.00 0.00 H new ATOM 0 HB VAL A 52 19.258 6.421 -12.884 1.00 0.00 H new ATOM 0 HG11 VAL A 52 18.681 4.792 -11.098 1.00 0.00 H new ATOM 0 HG12 VAL A 52 20.389 5.286 -11.027 1.00 0.00 H new ATOM 0 HG13 VAL A 52 19.217 5.969 -9.876 1.00 0.00 H new ATOM 0 HG21 VAL A 52 16.971 6.276 -11.947 1.00 0.00 H new ATOM 0 HG22 VAL A 52 17.394 7.525 -10.752 1.00 0.00 H new ATOM 0 HG23 VAL A 52 17.375 7.923 -12.487 1.00 0.00 H new ATOM 885 N THR A 53 18.390 9.560 -12.229 1.00 0.00 N ATOM 886 CA THR A 53 17.491 10.597 -11.867 1.00 0.00 C ATOM 887 C THR A 53 16.082 10.022 -11.835 1.00 0.00 C ATOM 888 O THR A 53 15.374 9.962 -12.840 1.00 0.00 O ATOM 889 CB THR A 53 17.662 11.743 -12.833 1.00 0.00 C ATOM 890 OG1 THR A 53 17.001 12.908 -12.370 1.00 0.00 O ATOM 891 CG2 THR A 53 17.171 11.445 -14.233 1.00 0.00 C ATOM 0 H THR A 53 18.351 9.235 -13.195 1.00 0.00 H new ATOM 0 HA THR A 53 17.695 10.994 -10.872 1.00 0.00 H new ATOM 0 HB THR A 53 18.739 11.903 -12.883 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.130 13.635 -13.014 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.329 12.317 -14.867 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.722 10.597 -14.639 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.108 11.206 -14.203 1.00 0.00 H new ATOM 899 N TRP A 54 15.701 9.630 -10.625 1.00 0.00 N ATOM 900 CA TRP A 54 14.379 9.069 -10.335 1.00 0.00 C ATOM 901 C TRP A 54 13.840 9.597 -9.006 1.00 0.00 C ATOM 902 O TRP A 54 14.520 9.530 -7.985 1.00 0.00 O ATOM 903 CB TRP A 54 14.399 7.532 -10.307 1.00 0.00 C ATOM 904 CG TRP A 54 15.597 6.920 -9.635 1.00 0.00 C ATOM 905 CD1 TRP A 54 16.585 7.561 -8.940 1.00 0.00 C ATOM 906 CD2 TRP A 54 15.929 5.525 -9.599 1.00 0.00 C ATOM 907 NE1 TRP A 54 17.527 6.657 -8.511 1.00 0.00 N ATOM 908 CE2 TRP A 54 17.137 5.399 -8.889 1.00 0.00 C ATOM 909 CE3 TRP A 54 15.321 4.373 -10.104 1.00 0.00 C ATOM 910 CZ2 TRP A 54 17.749 4.165 -8.672 1.00 0.00 C ATOM 911 CZ3 TRP A 54 15.927 3.149 -9.887 1.00 0.00 C ATOM 912 CH2 TRP A 54 17.130 3.055 -9.176 1.00 0.00 C ATOM 0 H TRP A 54 16.305 9.692 -9.806 1.00 0.00 H new ATOM 0 HA TRP A 54 13.720 9.387 -11.143 1.00 0.00 H new ATOM 0 HB2 TRP A 54 13.500 7.182 -9.800 1.00 0.00 H new ATOM 0 HB3 TRP A 54 14.350 7.165 -11.332 1.00 0.00 H new ATOM 0 HD1 TRP A 54 16.620 8.624 -8.755 1.00 0.00 H new ATOM 0 HE1 TRP A 54 18.377 6.885 -7.996 1.00 0.00 H new ATOM 0 HE3 TRP A 54 14.394 4.437 -10.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 18.678 4.089 -8.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 15.465 2.252 -10.272 1.00 0.00 H new ATOM 0 HH2 TRP A 54 17.578 2.085 -9.023 1.00 0.00 H new ATOM 923 N LYS A 55 12.615 10.107 -9.021 1.00 0.00 N ATOM 924 CA LYS A 55 11.983 10.636 -7.811 1.00 0.00 C ATOM 925 C LYS A 55 10.790 9.822 -7.397 1.00 0.00 C ATOM 926 O LYS A 55 10.163 9.123 -8.193 1.00 0.00 O ATOM 927 CB LYS A 55 11.534 12.084 -7.915 1.00 0.00 C ATOM 928 CG LYS A 55 11.566 12.614 -9.325 1.00 0.00 C ATOM 929 CD LYS A 55 11.523 14.133 -9.359 1.00 0.00 C ATOM 930 CE LYS A 55 11.179 14.649 -10.747 1.00 0.00 C ATOM 931 NZ LYS A 55 11.343 16.126 -10.849 1.00 0.00 N ATOM 0 H LYS A 55 12.035 10.167 -9.858 1.00 0.00 H new ATOM 0 HA LYS A 55 12.775 10.576 -7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.521 12.173 -7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.174 12.703 -7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.470 12.265 -9.824 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.719 12.214 -9.883 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.785 14.493 -8.642 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.489 14.533 -9.050 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.818 14.161 -11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.151 14.381 -10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.098 16.437 -11.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.715 16.593 -10.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.330 16.381 -10.643 1.00 0.00 H new ATOM 945 N MET A 56 10.495 9.947 -6.131 1.00 0.00 N ATOM 946 CA MET A 56 9.372 9.255 -5.524 1.00 0.00 C ATOM 947 C MET A 56 8.073 9.728 -6.180 1.00 0.00 C ATOM 948 O MET A 56 8.097 10.637 -7.010 1.00 0.00 O ATOM 949 CB MET A 56 9.292 9.605 -4.046 1.00 0.00 C ATOM 950 CG MET A 56 9.923 10.936 -3.676 1.00 0.00 C ATOM 951 SD MET A 56 9.270 12.299 -4.662 1.00 0.00 S ATOM 952 CE MET A 56 9.302 13.631 -3.464 1.00 0.00 C ATOM 0 H MET A 56 11.023 10.531 -5.483 1.00 0.00 H new ATOM 0 HA MET A 56 9.507 8.182 -5.656 1.00 0.00 H new ATOM 0 HB2 MET A 56 8.244 9.619 -3.746 1.00 0.00 H new ATOM 0 HB3 MET A 56 9.778 8.816 -3.472 1.00 0.00 H new ATOM 0 HG2 MET A 56 9.747 11.138 -2.619 1.00 0.00 H new ATOM 0 HG3 MET A 56 11.003 10.875 -3.814 1.00 0.00 H new ATOM 0 HE1 MET A 56 8.289 13.833 -3.117 1.00 0.00 H new ATOM 0 HE2 MET A 56 9.925 13.343 -2.617 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.712 14.528 -3.928 1.00 0.00 H new ATOM 962 N GLY A 57 6.940 9.135 -5.803 1.00 0.00 N ATOM 963 CA GLY A 57 5.684 9.555 -6.372 1.00 0.00 C ATOM 964 C GLY A 57 4.498 9.187 -5.507 1.00 0.00 C ATOM 965 O GLY A 57 3.353 9.380 -5.916 1.00 0.00 O ATOM 0 H GLY A 57 6.877 8.380 -5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.700 10.635 -6.519 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.566 9.101 -7.356 1.00 0.00 H new ATOM 969 N ILE A 58 4.757 8.658 -4.306 1.00 0.00 N ATOM 970 CA ILE A 58 3.679 8.283 -3.414 1.00 0.00 C ATOM 971 C ILE A 58 2.781 7.327 -4.138 1.00 0.00 C ATOM 972 O ILE A 58 1.849 7.744 -4.829 1.00 0.00 O ATOM 973 CB ILE A 58 2.860 9.507 -3.033 1.00 0.00 C ATOM 974 CG1 ILE A 58 3.703 10.494 -2.215 1.00 0.00 C ATOM 975 CG2 ILE A 58 1.588 9.111 -2.286 1.00 0.00 C ATOM 976 CD1 ILE A 58 3.719 10.207 -0.725 1.00 0.00 C ATOM 0 H ILE A 58 5.694 8.486 -3.942 1.00 0.00 H new ATOM 0 HA ILE A 58 4.097 7.832 -2.514 1.00 0.00 H new ATOM 0 HB ILE A 58 2.556 10.008 -3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.727 10.478 -2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.321 11.502 -2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.024 10.007 -2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.978 8.469 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.853 8.574 -1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.336 10.949 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.702 10.253 -0.335 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.130 9.213 -0.550 1.00 0.00 H new ATOM 988 N ASN A 59 3.078 6.058 -4.041 1.00 0.00 N ATOM 989 CA ASN A 59 2.289 5.112 -4.765 1.00 0.00 C ATOM 990 C ASN A 59 0.845 5.090 -4.264 1.00 0.00 C ATOM 991 O ASN A 59 0.579 5.356 -3.092 1.00 0.00 O ATOM 992 CB ASN A 59 2.909 3.715 -4.714 1.00 0.00 C ATOM 993 CG ASN A 59 4.383 3.725 -5.067 1.00 0.00 C ATOM 994 OD1 ASN A 59 4.782 4.264 -6.099 1.00 0.00 O ATOM 995 ND2 ASN A 59 5.202 3.127 -4.209 1.00 0.00 N ATOM 0 H ASN A 59 3.838 5.669 -3.484 1.00 0.00 H new ATOM 0 HA ASN A 59 2.273 5.431 -5.807 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.780 3.299 -3.715 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.377 3.059 -5.403 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.205 3.102 -4.394 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.828 2.693 -3.365 1.00 0.00 H new ATOM 1002 N HIS A 60 -0.086 4.782 -5.165 1.00 0.00 N ATOM 1003 CA HIS A 60 -1.507 4.736 -4.825 1.00 0.00 C ATOM 1004 C HIS A 60 -1.760 3.844 -3.613 1.00 0.00 C ATOM 1005 O HIS A 60 -2.442 4.237 -2.652 1.00 0.00 O ATOM 1006 CB HIS A 60 -2.321 4.230 -6.018 1.00 0.00 C ATOM 1007 CG HIS A 60 -2.020 4.951 -7.296 1.00 0.00 C ATOM 1008 ND1 HIS A 60 -0.995 4.587 -8.142 1.00 0.00 N ATOM 1009 CD2 HIS A 60 -2.619 6.021 -7.870 1.00 0.00 C ATOM 1010 CE1 HIS A 60 -0.975 5.402 -9.182 1.00 0.00 C ATOM 1011 NE2 HIS A 60 -1.950 6.281 -9.041 1.00 0.00 N ATOM 0 H HIS A 60 0.119 4.560 -6.139 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.822 5.749 -4.575 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.126 3.166 -6.156 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.383 4.333 -5.793 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.465 6.568 -7.480 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.279 5.357 -10.007 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -2.171 7.031 -9.696 1.00 0.00 H new ATOM 1020 N LEU A 61 -1.216 2.638 -3.637 1.00 0.00 N ATOM 1021 CA LEU A 61 -1.423 1.754 -2.515 1.00 0.00 C ATOM 1022 C LEU A 61 -0.663 2.213 -1.309 1.00 0.00 C ATOM 1023 O LEU A 61 -0.817 1.620 -0.256 1.00 0.00 O ATOM 1024 CB LEU A 61 -1.056 0.296 -2.801 1.00 0.00 C ATOM 1025 CG LEU A 61 0.434 -0.073 -2.915 1.00 0.00 C ATOM 1026 CD1 LEU A 61 0.908 0.032 -4.355 1.00 0.00 C ATOM 1027 CD2 LEU A 61 1.333 0.750 -1.997 1.00 0.00 C ATOM 0 H LEU A 61 -0.647 2.263 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.495 1.795 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.491 -0.317 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.542 0.008 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 61 0.516 -1.108 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.964 -0.233 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.329 -0.649 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.772 1.054 -4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.369 0.439 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.237 1.807 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.035 0.593 -0.960 1.00 0.00 H new ATOM 1039 N ALA A 62 0.165 3.256 -1.429 1.00 0.00 N ATOM 1040 CA ALA A 62 0.916 3.694 -0.270 1.00 0.00 C ATOM 1041 C ALA A 62 -0.010 4.101 0.842 1.00 0.00 C ATOM 1042 O ALA A 62 0.438 4.463 1.922 1.00 0.00 O ATOM 1043 CB ALA A 62 1.895 4.799 -0.542 1.00 0.00 C ATOM 0 H ALA A 62 0.323 3.788 -2.285 1.00 0.00 H new ATOM 0 HA ALA A 62 1.508 2.828 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.412 5.063 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.622 4.467 -1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.363 5.671 -0.922 1.00 0.00 H new ATOM 1049 N ASP A 63 -1.302 3.985 0.598 1.00 0.00 N ATOM 1050 CA ASP A 63 -2.282 4.276 1.587 1.00 0.00 C ATOM 1051 C ASP A 63 -3.047 3.020 1.804 1.00 0.00 C ATOM 1052 O ASP A 63 -3.505 2.759 2.893 1.00 0.00 O ATOM 1053 CB ASP A 63 -3.176 5.406 1.116 1.00 0.00 C ATOM 1054 CG ASP A 63 -3.891 6.151 2.244 1.00 0.00 C ATOM 1055 OD1 ASP A 63 -3.262 6.371 3.300 1.00 0.00 O ATOM 1056 OD2 ASP A 63 -5.092 6.516 2.065 1.00 0.00 O ATOM 0 H ASP A 63 -1.686 3.685 -0.298 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.830 4.607 2.522 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.575 6.117 0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.922 5.003 0.432 1.00 0.00 H new ATOM 1061 N LEU A 64 -3.119 2.204 0.765 1.00 0.00 N ATOM 1062 CA LEU A 64 -3.773 0.933 0.895 1.00 0.00 C ATOM 1063 C LEU A 64 -2.956 -0.166 0.253 1.00 0.00 C ATOM 1064 O LEU A 64 -3.056 -0.450 -0.927 1.00 0.00 O ATOM 1065 CB LEU A 64 -5.117 0.975 0.244 1.00 0.00 C ATOM 1066 CG LEU A 64 -5.055 1.402 -1.219 1.00 0.00 C ATOM 1067 CD1 LEU A 64 -4.943 0.210 -2.133 1.00 0.00 C ATOM 1068 CD2 LEU A 64 -6.244 2.268 -1.598 1.00 0.00 C ATOM 0 H LEU A 64 -2.736 2.403 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.881 0.724 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.578 -0.010 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.759 1.665 0.792 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.155 2.004 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.901 0.548 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.036 -0.346 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.811 -0.436 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.166 2.554 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.166 1.709 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.254 3.164 -0.978 1.00 0.00 H new ATOM 1080 N THR A 65 -2.175 -0.793 1.066 1.00 0.00 N ATOM 1081 CA THR A 65 -1.332 -1.906 0.638 1.00 0.00 C ATOM 1082 C THR A 65 -1.933 -3.190 1.177 1.00 0.00 C ATOM 1083 O THR A 65 -2.930 -3.130 1.880 1.00 0.00 O ATOM 1084 CB THR A 65 0.109 -1.789 1.154 1.00 0.00 C ATOM 1085 OG1 THR A 65 0.207 -0.861 2.193 1.00 0.00 O ATOM 1086 CG2 THR A 65 1.108 -1.405 0.090 1.00 0.00 C ATOM 0 H THR A 65 -2.088 -0.562 2.056 1.00 0.00 H new ATOM 0 HA THR A 65 -1.294 -1.897 -0.451 1.00 0.00 H new ATOM 0 HB THR A 65 0.355 -2.791 1.507 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.024 -1.030 2.707 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.103 -1.342 0.531 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.107 -2.158 -0.698 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.836 -0.437 -0.332 1.00 0.00 H new ATOM 1094 N PRO A 66 -1.311 -4.365 0.936 1.00 0.00 N ATOM 1095 CA PRO A 66 -1.769 -5.642 1.497 1.00 0.00 C ATOM 1096 C PRO A 66 -2.353 -5.441 2.889 1.00 0.00 C ATOM 1097 O PRO A 66 -3.279 -6.139 3.299 1.00 0.00 O ATOM 1098 CB PRO A 66 -0.461 -6.453 1.570 1.00 0.00 C ATOM 1099 CG PRO A 66 0.588 -5.443 1.238 1.00 0.00 C ATOM 1100 CD PRO A 66 -0.069 -4.586 0.216 1.00 0.00 C ATOM 0 HA PRO A 66 -2.554 -6.122 0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.308 -6.881 2.561 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.461 -7.281 0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.883 -4.867 2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.490 -5.914 0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.478 -3.666 0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.211 -5.091 -0.740 1.00 0.00 H new ATOM 1108 N GLU A 67 -1.826 -4.434 3.597 1.00 0.00 N ATOM 1109 CA GLU A 67 -2.331 -4.097 4.920 1.00 0.00 C ATOM 1110 C GLU A 67 -3.806 -3.837 4.783 1.00 0.00 C ATOM 1111 O GLU A 67 -4.660 -4.465 5.409 1.00 0.00 O ATOM 1112 CB GLU A 67 -1.719 -2.762 5.399 1.00 0.00 C ATOM 1113 CG GLU A 67 -0.395 -2.386 4.762 1.00 0.00 C ATOM 1114 CD GLU A 67 0.597 -3.535 4.720 1.00 0.00 C ATOM 1115 OE1 GLU A 67 0.499 -4.436 5.579 1.00 0.00 O ATOM 1116 OE2 GLU A 67 1.470 -3.534 3.827 1.00 0.00 O ATOM 0 H GLU A 67 -1.057 -3.847 3.274 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.093 -4.905 5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.435 -1.964 5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.582 -2.812 6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.575 -2.033 3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.044 -1.556 5.315 1.00 0.00 H new ATOM 1123 N GLU A 68 -4.054 -2.907 3.889 1.00 0.00 N ATOM 1124 CA GLU A 68 -5.383 -2.491 3.517 1.00 0.00 C ATOM 1125 C GLU A 68 -6.022 -3.507 2.586 1.00 0.00 C ATOM 1126 O GLU A 68 -7.159 -3.933 2.766 1.00 0.00 O ATOM 1127 CB GLU A 68 -5.306 -1.135 2.843 1.00 0.00 C ATOM 1128 CG GLU A 68 -6.645 -0.647 2.348 1.00 0.00 C ATOM 1129 CD GLU A 68 -7.019 -1.287 1.030 1.00 0.00 C ATOM 1130 OE1 GLU A 68 -6.093 -1.551 0.232 1.00 0.00 O ATOM 1131 OE2 GLU A 68 -8.222 -1.527 0.799 1.00 0.00 O ATOM 0 H GLU A 68 -3.318 -2.408 3.390 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.001 -2.420 4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.898 -0.409 3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.613 -1.191 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.411 -0.869 3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.618 0.436 2.232 1.00 0.00 H new ATOM 1138 N PHE A 69 -5.254 -3.842 1.557 1.00 0.00 N ATOM 1139 CA PHE A 69 -5.663 -4.761 0.511 1.00 0.00 C ATOM 1140 C PHE A 69 -6.169 -6.086 1.083 1.00 0.00 C ATOM 1141 O PHE A 69 -7.235 -6.569 0.701 1.00 0.00 O ATOM 1142 CB PHE A 69 -4.462 -5.000 -0.416 1.00 0.00 C ATOM 1143 CG PHE A 69 -4.429 -4.122 -1.643 1.00 0.00 C ATOM 1144 CD1 PHE A 69 -5.284 -4.385 -2.702 1.00 0.00 C ATOM 1145 CD2 PHE A 69 -3.537 -3.044 -1.754 1.00 0.00 C ATOM 1146 CE1 PHE A 69 -5.262 -3.608 -3.843 1.00 0.00 C ATOM 1147 CE2 PHE A 69 -3.521 -2.269 -2.898 1.00 0.00 C ATOM 1148 CZ PHE A 69 -4.380 -2.550 -3.942 1.00 0.00 C ATOM 0 H PHE A 69 -4.312 -3.474 1.427 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.492 -4.322 -0.044 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.545 -4.843 0.152 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.466 -6.043 -0.732 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.978 -5.210 -2.633 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.861 -2.819 -0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.935 -3.828 -4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.834 -1.440 -2.976 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.362 -1.943 -4.835 1.00 0.00 H new ATOM 1158 N ALA A 70 -5.401 -6.670 1.993 1.00 0.00 N ATOM 1159 CA ALA A 70 -5.773 -7.941 2.609 1.00 0.00 C ATOM 1160 C ALA A 70 -6.757 -7.756 3.765 1.00 0.00 C ATOM 1161 O ALA A 70 -7.463 -8.694 4.138 1.00 0.00 O ATOM 1162 CB ALA A 70 -4.527 -8.670 3.093 1.00 0.00 C ATOM 0 H ALA A 70 -4.516 -6.285 2.323 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.274 -8.539 1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.814 -9.617 3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.866 -8.862 2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.008 -8.054 3.827 1.00 0.00 H new ATOM 1168 N GLN A 71 -6.793 -6.558 4.341 1.00 0.00 N ATOM 1169 CA GLN A 71 -7.685 -6.282 5.467 1.00 0.00 C ATOM 1170 C GLN A 71 -8.954 -5.547 5.032 1.00 0.00 C ATOM 1171 O GLN A 71 -9.880 -5.379 5.826 1.00 0.00 O ATOM 1172 CB GLN A 71 -6.952 -5.462 6.530 1.00 0.00 C ATOM 1173 CG GLN A 71 -7.594 -5.538 7.906 1.00 0.00 C ATOM 1174 CD GLN A 71 -6.585 -5.793 9.008 1.00 0.00 C ATOM 1175 OE1 GLN A 71 -6.588 -5.117 10.037 1.00 0.00 O ATOM 1176 NE2 GLN A 71 -5.713 -6.774 8.799 1.00 0.00 N ATOM 0 H GLN A 71 -6.220 -5.766 4.050 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.986 -7.243 5.884 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.921 -5.810 6.599 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.916 -4.420 6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.120 -4.605 8.109 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.340 -6.332 7.911 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.746 -7.309 7.932 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.011 -6.991 9.506 1.00 0.00 H new ATOM 1185 N ARG A 72 -9.007 -5.124 3.773 1.00 0.00 N ATOM 1186 CA ARG A 72 -10.174 -4.429 3.252 1.00 0.00 C ATOM 1187 C ARG A 72 -11.167 -5.442 2.713 1.00 0.00 C ATOM 1188 O ARG A 72 -12.380 -5.243 2.774 1.00 0.00 O ATOM 1189 CB ARG A 72 -9.778 -3.425 2.163 1.00 0.00 C ATOM 1190 CG ARG A 72 -9.262 -4.067 0.883 1.00 0.00 C ATOM 1191 CD ARG A 72 -9.942 -3.489 -0.348 1.00 0.00 C ATOM 1192 NE ARG A 72 -11.289 -4.026 -0.533 1.00 0.00 N ATOM 1193 CZ ARG A 72 -11.906 -4.098 -1.712 1.00 0.00 C ATOM 1194 NH1 ARG A 72 -11.306 -3.664 -2.813 1.00 0.00 N ATOM 1195 NH2 ARG A 72 -13.129 -4.605 -1.788 1.00 0.00 N ATOM 0 H ARG A 72 -8.254 -5.251 3.096 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.639 -3.867 4.062 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.642 -2.806 1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.010 -2.761 2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.185 -3.916 0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.432 -5.143 0.921 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.994 -2.404 -0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.340 -3.707 -1.230 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.787 -4.366 0.290 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.366 -3.272 -2.761 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.785 -3.723 -3.712 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.596 -4.939 -0.945 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.603 -4.661 -2.690 1.00 0.00 H new