USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 518 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 GLN : amide:sc= -0.0478 K(o=0.0077,f=-17!) USER MOD Set 1.2: A 51 LYS NZ :NH3+ 167:sc= 0.0554 (180deg=-1.56) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 12 GLN : amide:sc= -0.641 K(o=-0.64,f=-1.5!) USER MOD Set 3.1: A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0807) USER MOD Set 3.2: A 3 SER OG : rot 180:sc= 0.0012 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0.045) USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= 1 (180deg=0.296) USER MOD Single : A 11 LYS NZ :NH3+ -135:sc= -0.0136 (180deg=-0.519) USER MOD Single : A 14 THR OG1 : rot -104:sc= 0.703 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= -0.0044 (180deg=-0.154) USER MOD Single : A 25 THR OG1 : rot -118:sc= 1.28 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -3.97! C(o=-4!,f=-6.7!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.22) USER MOD Single : A 47 TYR OH : rot -131:sc= 1.31 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.25 K(o=-0.25,f=-3!) USER MOD Single : A 62 SER OG : rot 72:sc= 0.461 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.861 10.012 4.045 1.00 0.00 N ATOM 2 CA MET A 1 6.825 10.943 3.541 1.00 0.00 C ATOM 3 C MET A 1 7.022 11.202 2.054 1.00 0.00 C ATOM 4 O MET A 1 6.258 10.715 1.223 1.00 0.00 O ATOM 5 CB MET A 1 6.861 12.270 4.304 1.00 0.00 C ATOM 6 CG MET A 1 6.489 12.150 5.770 1.00 0.00 C ATOM 7 SD MET A 1 6.578 13.727 6.640 1.00 0.00 S ATOM 8 CE MET A 1 6.101 13.217 8.288 1.00 0.00 C ATOM 0 H1 MET A 1 7.618 9.712 5.011 1.00 0.00 H new ATOM 0 H2 MET A 1 7.909 9.178 3.425 1.00 0.00 H new ATOM 0 H3 MET A 1 8.784 10.491 4.053 1.00 0.00 H new ATOM 0 HA MET A 1 5.852 10.477 3.699 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.862 12.694 4.227 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.180 12.972 3.823 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.478 11.750 5.853 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.155 11.435 6.253 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.106 14.081 8.952 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.100 12.787 8.260 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.806 12.472 8.657 1.00 0.00 H new ATOM 18 N ASN A 2 8.065 11.953 1.716 1.00 0.00 N ATOM 19 CA ASN A 2 8.341 12.300 0.325 1.00 0.00 C ATOM 20 C ASN A 2 9.281 11.269 -0.295 1.00 0.00 C ATOM 21 O ASN A 2 9.968 11.539 -1.274 1.00 0.00 O ATOM 22 CB ASN A 2 8.962 13.696 0.248 1.00 0.00 C ATOM 23 CG ASN A 2 8.650 14.411 -1.055 1.00 0.00 C ATOM 24 OD1 ASN A 2 9.365 14.275 -2.045 1.00 0.00 O ATOM 25 ND2 ASN A 2 7.584 15.194 -1.055 1.00 0.00 N ATOM 0 H ASN A 2 8.734 12.333 2.386 1.00 0.00 H new ATOM 0 HA ASN A 2 7.405 12.301 -0.233 1.00 0.00 H new ATOM 0 HB2 ASN A 2 8.598 14.296 1.082 1.00 0.00 H new ATOM 0 HB3 ASN A 2 10.043 13.614 0.362 1.00 0.00 H new ATOM 0 HD21 ASN A 2 7.331 15.711 -1.897 1.00 0.00 H new ATOM 0 HD22 ASN A 2 7.015 15.281 -0.213 1.00 0.00 H new ATOM 32 N SER A 3 9.304 10.084 0.294 1.00 0.00 N ATOM 33 CA SER A 3 10.124 8.992 -0.198 1.00 0.00 C ATOM 34 C SER A 3 9.265 7.965 -0.928 1.00 0.00 C ATOM 35 O SER A 3 9.727 6.879 -1.274 1.00 0.00 O ATOM 36 CB SER A 3 10.854 8.333 0.973 1.00 0.00 C ATOM 37 OG SER A 3 9.958 8.076 2.046 1.00 0.00 O ATOM 0 H SER A 3 8.757 9.854 1.123 1.00 0.00 H new ATOM 0 HA SER A 3 10.856 9.388 -0.902 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.311 7.400 0.644 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.662 8.980 1.315 1.00 0.00 H new ATOM 0 HG SER A 3 10.444 7.653 2.784 1.00 0.00 H new ATOM 43 N ASP A 4 8.010 8.322 -1.162 1.00 0.00 N ATOM 44 CA ASP A 4 7.066 7.409 -1.785 1.00 0.00 C ATOM 45 C ASP A 4 6.474 8.032 -3.040 1.00 0.00 C ATOM 46 O ASP A 4 6.323 9.254 -3.121 1.00 0.00 O ATOM 47 CB ASP A 4 5.952 7.055 -0.800 1.00 0.00 C ATOM 48 CG ASP A 4 5.170 5.836 -1.238 1.00 0.00 C ATOM 49 OD1 ASP A 4 5.569 4.714 -0.864 1.00 0.00 O ATOM 50 OD2 ASP A 4 4.168 5.993 -1.959 1.00 0.00 O ATOM 0 H ASP A 4 7.623 9.237 -0.930 1.00 0.00 H new ATOM 0 HA ASP A 4 7.595 6.498 -2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.383 6.874 0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.274 7.903 -0.700 1.00 0.00 H new ATOM 55 N VAL A 5 6.162 7.201 -4.024 1.00 0.00 N ATOM 56 CA VAL A 5 5.592 7.681 -5.274 1.00 0.00 C ATOM 57 C VAL A 5 4.159 7.167 -5.458 1.00 0.00 C ATOM 58 O VAL A 5 3.349 7.780 -6.158 1.00 0.00 O ATOM 59 CB VAL A 5 6.466 7.266 -6.486 1.00 0.00 C ATOM 60 CG1 VAL A 5 6.501 5.753 -6.652 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.978 7.934 -7.764 1.00 0.00 C ATOM 0 H VAL A 5 6.294 6.191 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 5 5.568 8.770 -5.224 1.00 0.00 H new ATOM 0 HB VAL A 5 7.483 7.605 -6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.122 5.495 -7.510 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.917 5.298 -5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.489 5.381 -6.812 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.608 7.626 -8.599 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.947 7.638 -7.959 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.029 9.017 -7.651 1.00 0.00 H new ATOM 71 N ILE A 6 3.839 6.064 -4.792 1.00 0.00 N ATOM 72 CA ILE A 6 2.537 5.430 -4.952 1.00 0.00 C ATOM 73 C ILE A 6 1.467 6.218 -4.206 1.00 0.00 C ATOM 74 O ILE A 6 0.400 6.502 -4.745 1.00 0.00 O ATOM 75 CB ILE A 6 2.556 3.971 -4.441 1.00 0.00 C ATOM 76 CG1 ILE A 6 3.668 3.171 -5.129 1.00 0.00 C ATOM 77 CG2 ILE A 6 1.208 3.306 -4.672 1.00 0.00 C ATOM 78 CD1 ILE A 6 3.508 3.068 -6.633 1.00 0.00 C ATOM 0 H ILE A 6 4.462 5.591 -4.137 1.00 0.00 H new ATOM 0 HA ILE A 6 2.304 5.420 -6.017 1.00 0.00 H new ATOM 0 HB ILE A 6 2.755 3.989 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.628 3.636 -4.906 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.695 2.167 -4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.241 2.280 -4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.434 3.857 -4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.981 3.304 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.332 2.488 -7.048 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.564 2.575 -6.866 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.512 4.067 -7.069 1.00 0.00 H new ATOM 90 N LYS A 7 1.782 6.599 -2.975 1.00 0.00 N ATOM 91 CA LYS A 7 0.858 7.354 -2.133 1.00 0.00 C ATOM 92 C LYS A 7 0.562 8.725 -2.739 1.00 0.00 C ATOM 93 O LYS A 7 -0.493 9.311 -2.491 1.00 0.00 O ATOM 94 CB LYS A 7 1.453 7.509 -0.730 1.00 0.00 C ATOM 95 CG LYS A 7 0.567 8.253 0.257 1.00 0.00 C ATOM 96 CD LYS A 7 1.219 8.317 1.631 1.00 0.00 C ATOM 97 CE LYS A 7 0.469 9.238 2.579 1.00 0.00 C ATOM 98 NZ LYS A 7 -0.894 8.739 2.907 1.00 0.00 N ATOM 0 H LYS A 7 2.678 6.396 -2.533 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.082 6.807 -2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.668 6.518 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.405 8.034 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.378 9.263 -0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.400 7.755 0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.262 7.315 2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.247 8.664 1.528 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.042 9.349 3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.391 10.228 2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.450 9.505 3.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.365 8.417 2.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.822 7.945 3.575 1.00 0.00 H new ATOM 112 N GLY A 8 1.494 9.218 -3.552 1.00 0.00 N ATOM 113 CA GLY A 8 1.346 10.524 -4.174 1.00 0.00 C ATOM 114 C GLY A 8 0.097 10.629 -5.031 1.00 0.00 C ATOM 115 O GLY A 8 -0.596 11.647 -5.012 1.00 0.00 O ATOM 0 H GLY A 8 2.357 8.731 -3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.314 11.289 -3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.222 10.730 -4.789 1.00 0.00 H new ATOM 119 N LYS A 9 -0.200 9.572 -5.773 1.00 0.00 N ATOM 120 CA LYS A 9 -1.377 9.549 -6.629 1.00 0.00 C ATOM 121 C LYS A 9 -2.163 8.265 -6.417 1.00 0.00 C ATOM 122 O LYS A 9 -2.756 7.738 -7.352 1.00 0.00 O ATOM 123 CB LYS A 9 -0.987 9.666 -8.102 1.00 0.00 C ATOM 124 CG LYS A 9 -0.382 11.007 -8.483 1.00 0.00 C ATOM 125 CD LYS A 9 -0.384 11.184 -9.990 1.00 0.00 C ATOM 126 CE LYS A 9 0.151 12.541 -10.406 1.00 0.00 C ATOM 127 NZ LYS A 9 -0.166 12.836 -11.830 1.00 0.00 N ATOM 0 H LYS A 9 0.358 8.719 -5.799 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.998 10.403 -6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.273 8.877 -8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.871 9.492 -8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.948 11.813 -8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.638 11.073 -8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.221 10.401 -10.447 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.400 11.064 -10.367 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.278 13.314 -9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.231 12.569 -10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.213 13.771 -12.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.264 12.111 -12.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.197 12.833 -11.964 1.00 0.00 H new ATOM 141 N TRP A 10 -2.186 7.796 -5.179 1.00 0.00 N ATOM 142 CA TRP A 10 -2.816 6.524 -4.822 1.00 0.00 C ATOM 143 C TRP A 10 -4.230 6.387 -5.392 1.00 0.00 C ATOM 144 O TRP A 10 -4.592 5.335 -5.916 1.00 0.00 O ATOM 145 CB TRP A 10 -2.847 6.388 -3.299 1.00 0.00 C ATOM 146 CG TRP A 10 -3.594 5.186 -2.799 1.00 0.00 C ATOM 147 CD1 TRP A 10 -4.764 5.192 -2.101 1.00 0.00 C ATOM 148 CD2 TRP A 10 -3.227 3.809 -2.955 1.00 0.00 C ATOM 149 NE1 TRP A 10 -5.137 3.909 -1.795 1.00 0.00 N ATOM 150 CE2 TRP A 10 -4.212 3.042 -2.310 1.00 0.00 C ATOM 151 CE3 TRP A 10 -2.158 3.149 -3.569 1.00 0.00 C ATOM 152 CZ2 TRP A 10 -4.166 1.651 -2.263 1.00 0.00 C ATOM 153 CZ3 TRP A 10 -2.114 1.768 -3.523 1.00 0.00 C ATOM 154 CH2 TRP A 10 -3.110 1.032 -2.872 1.00 0.00 C ATOM 0 H TRP A 10 -1.768 8.285 -4.387 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.221 5.724 -5.262 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.823 6.344 -2.929 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.300 7.284 -2.875 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -5.317 6.079 -1.828 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -5.969 3.643 -1.269 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.381 3.708 -4.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -4.936 1.082 -1.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -1.296 1.248 -3.998 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -3.043 -0.046 -2.850 1.00 0.00 H new ATOM 165 N LYS A 11 -5.012 7.457 -5.322 1.00 0.00 N ATOM 166 CA LYS A 11 -6.410 7.401 -5.739 1.00 0.00 C ATOM 167 C LYS A 11 -6.516 7.276 -7.258 1.00 0.00 C ATOM 168 O LYS A 11 -7.462 6.683 -7.779 1.00 0.00 O ATOM 169 CB LYS A 11 -7.167 8.644 -5.259 1.00 0.00 C ATOM 170 CG LYS A 11 -6.882 9.033 -3.810 1.00 0.00 C ATOM 171 CD LYS A 11 -7.195 7.914 -2.825 1.00 0.00 C ATOM 172 CE LYS A 11 -6.792 8.307 -1.408 1.00 0.00 C ATOM 173 NZ LYS A 11 -7.048 7.221 -0.421 1.00 0.00 N ATOM 0 H LYS A 11 -4.706 8.369 -4.983 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.863 6.520 -5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.911 9.483 -5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.237 8.470 -5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.833 9.313 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.471 9.913 -3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.260 7.686 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.667 7.007 -3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.733 8.565 -1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.342 9.200 -1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.497 7.622 0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.679 6.510 -0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.148 6.772 -0.157 1.00 0.00 H new ATOM 187 N GLN A 12 -5.531 7.818 -7.964 1.00 0.00 N ATOM 188 CA GLN A 12 -5.528 7.788 -9.422 1.00 0.00 C ATOM 189 C GLN A 12 -4.813 6.548 -9.945 1.00 0.00 C ATOM 190 O GLN A 12 -5.229 5.951 -10.940 1.00 0.00 O ATOM 191 CB GLN A 12 -4.859 9.044 -9.982 1.00 0.00 C ATOM 192 CG GLN A 12 -4.613 8.975 -11.482 1.00 0.00 C ATOM 193 CD GLN A 12 -4.002 10.240 -12.040 1.00 0.00 C ATOM 194 OE1 GLN A 12 -2.781 10.393 -12.080 1.00 0.00 O ATOM 195 NE2 GLN A 12 -4.851 11.140 -12.505 1.00 0.00 N ATOM 0 H GLN A 12 -4.723 8.284 -7.550 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.565 7.756 -9.755 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.484 9.909 -9.763 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.909 9.200 -9.471 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.954 8.134 -11.698 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.557 8.779 -11.991 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.855 10.970 -12.450 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.502 12.005 -12.918 1.00 0.00 H new ATOM 204 N LEU A 13 -3.746 6.156 -9.258 1.00 0.00 N ATOM 205 CA LEU A 13 -2.928 5.026 -9.683 1.00 0.00 C ATOM 206 C LEU A 13 -3.698 3.717 -9.593 1.00 0.00 C ATOM 207 O LEU A 13 -3.222 2.686 -10.061 1.00 0.00 O ATOM 208 CB LEU A 13 -1.653 4.934 -8.844 1.00 0.00 C ATOM 209 CG LEU A 13 -0.649 6.070 -9.054 1.00 0.00 C ATOM 210 CD1 LEU A 13 0.564 5.882 -8.155 1.00 0.00 C ATOM 211 CD2 LEU A 13 -0.225 6.149 -10.515 1.00 0.00 C ATOM 0 H LEU A 13 -3.426 6.606 -8.401 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.658 5.195 -10.725 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.932 4.908 -7.791 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.159 3.988 -9.067 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.133 7.009 -8.787 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.267 6.699 -8.318 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.247 5.878 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.048 4.934 -8.390 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.489 6.963 -10.643 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.240 5.208 -10.810 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.100 6.332 -11.138 1.00 0.00 H new ATOM 223 N THR A 14 -4.884 3.771 -8.998 1.00 0.00 N ATOM 224 CA THR A 14 -5.759 2.612 -8.886 1.00 0.00 C ATOM 225 C THR A 14 -5.906 1.892 -10.227 1.00 0.00 C ATOM 226 O THR A 14 -5.786 0.670 -10.304 1.00 0.00 O ATOM 227 CB THR A 14 -7.152 3.036 -8.378 1.00 0.00 C ATOM 228 OG1 THR A 14 -7.649 4.126 -9.170 1.00 0.00 O ATOM 229 CG2 THR A 14 -7.098 3.457 -6.918 1.00 0.00 C ATOM 0 H THR A 14 -5.265 4.620 -8.580 1.00 0.00 H new ATOM 0 HA THR A 14 -5.303 1.926 -8.172 1.00 0.00 H new ATOM 0 HB THR A 14 -7.820 2.179 -8.467 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.568 4.961 -8.664 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.094 3.751 -6.587 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.745 2.623 -6.312 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.416 4.300 -6.807 1.00 0.00 H new ATOM 237 N GLY A 15 -6.122 2.666 -11.285 1.00 0.00 N ATOM 238 CA GLY A 15 -6.314 2.093 -12.602 1.00 0.00 C ATOM 239 C GLY A 15 -5.044 1.496 -13.179 1.00 0.00 C ATOM 240 O GLY A 15 -5.102 0.537 -13.945 1.00 0.00 O ATOM 0 H GLY A 15 -6.167 3.684 -11.252 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.080 1.320 -12.548 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.686 2.864 -13.277 1.00 0.00 H new ATOM 244 N LYS A 16 -3.895 2.055 -12.821 1.00 0.00 N ATOM 245 CA LYS A 16 -2.620 1.557 -13.324 1.00 0.00 C ATOM 246 C LYS A 16 -2.155 0.346 -12.522 1.00 0.00 C ATOM 247 O LYS A 16 -1.626 -0.615 -13.082 1.00 0.00 O ATOM 248 CB LYS A 16 -1.547 2.649 -13.289 1.00 0.00 C ATOM 249 CG LYS A 16 -1.786 3.780 -14.278 1.00 0.00 C ATOM 250 CD LYS A 16 -0.566 4.685 -14.390 1.00 0.00 C ATOM 251 CE LYS A 16 -0.739 5.734 -15.477 1.00 0.00 C ATOM 252 NZ LYS A 16 0.514 6.499 -15.721 1.00 0.00 N ATOM 0 H LYS A 16 -3.819 2.850 -12.187 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.772 1.255 -14.360 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.498 3.064 -12.282 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.577 2.198 -13.496 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.025 3.365 -15.257 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.649 4.366 -13.961 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.390 5.178 -13.434 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.316 4.081 -14.604 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.053 5.249 -16.401 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.534 6.423 -15.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.351 7.203 -16.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.801 6.983 -14.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.267 5.846 -16.018 1.00 0.00 H new ATOM 266 N ILE A 17 -2.362 0.393 -11.214 1.00 0.00 N ATOM 267 CA ILE A 17 -1.980 -0.705 -10.336 1.00 0.00 C ATOM 268 C ILE A 17 -2.813 -1.947 -10.647 1.00 0.00 C ATOM 269 O ILE A 17 -2.286 -3.058 -10.752 1.00 0.00 O ATOM 270 CB ILE A 17 -2.146 -0.314 -8.849 1.00 0.00 C ATOM 271 CG1 ILE A 17 -1.230 0.865 -8.501 1.00 0.00 C ATOM 272 CG2 ILE A 17 -1.848 -1.500 -7.944 1.00 0.00 C ATOM 273 CD1 ILE A 17 -1.392 1.367 -7.082 1.00 0.00 C ATOM 0 H ILE A 17 -2.794 1.183 -10.735 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.928 -0.927 -10.515 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.181 -0.011 -8.689 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.193 0.565 -8.654 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.430 1.684 -9.191 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.971 -1.203 -6.903 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.536 -2.314 -8.173 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.823 -1.834 -8.108 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.711 2.201 -6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.419 1.699 -6.929 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.163 0.563 -6.383 1.00 0.00 H new ATOM 285 N LYS A 18 -4.112 -1.745 -10.827 1.00 0.00 N ATOM 286 CA LYS A 18 -5.017 -2.836 -11.155 1.00 0.00 C ATOM 287 C LYS A 18 -4.745 -3.352 -12.566 1.00 0.00 C ATOM 288 O LYS A 18 -4.969 -4.523 -12.860 1.00 0.00 O ATOM 289 CB LYS A 18 -6.470 -2.373 -11.025 1.00 0.00 C ATOM 290 CG LYS A 18 -7.494 -3.468 -11.273 1.00 0.00 C ATOM 291 CD LYS A 18 -8.891 -3.002 -10.907 1.00 0.00 C ATOM 292 CE LYS A 18 -9.924 -4.095 -11.122 1.00 0.00 C ATOM 293 NZ LYS A 18 -10.009 -4.508 -12.546 1.00 0.00 N ATOM 0 H LYS A 18 -4.562 -0.833 -10.751 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.846 -3.653 -10.453 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.623 -1.967 -10.025 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.645 -1.560 -11.729 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.469 -3.763 -12.322 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.236 -4.351 -10.687 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.907 -2.686 -9.864 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.153 -2.131 -11.508 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.670 -4.959 -10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.900 -3.742 -10.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.844 -5.113 -12.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.091 -3.664 -13.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.152 -5.037 -12.806 1.00 0.00 H new ATOM 307 N GLU A 19 -4.249 -2.477 -13.428 1.00 0.00 N ATOM 308 CA GLU A 19 -3.924 -2.856 -14.796 1.00 0.00 C ATOM 309 C GLU A 19 -2.674 -3.733 -14.815 1.00 0.00 C ATOM 310 O GLU A 19 -2.567 -4.669 -15.604 1.00 0.00 O ATOM 311 CB GLU A 19 -3.690 -1.610 -15.652 1.00 0.00 C ATOM 312 CG GLU A 19 -3.995 -1.810 -17.124 1.00 0.00 C ATOM 313 CD GLU A 19 -5.484 -1.861 -17.403 1.00 0.00 C ATOM 314 OE1 GLU A 19 -6.074 -2.965 -17.359 1.00 0.00 O ATOM 315 OE2 GLU A 19 -6.075 -0.792 -17.671 1.00 0.00 O ATOM 0 H GLU A 19 -4.063 -1.499 -13.205 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.763 -3.417 -15.208 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.308 -0.797 -15.270 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.651 -1.298 -15.545 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.548 -0.999 -17.699 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.532 -2.736 -17.466 1.00 0.00 H new ATOM 322 N ARG A 20 -1.733 -3.418 -13.930 1.00 0.00 N ATOM 323 CA ARG A 20 -0.471 -4.145 -13.847 1.00 0.00 C ATOM 324 C ARG A 20 -0.709 -5.585 -13.398 1.00 0.00 C ATOM 325 O ARG A 20 -0.432 -6.529 -14.136 1.00 0.00 O ATOM 326 CB ARG A 20 0.470 -3.437 -12.865 1.00 0.00 C ATOM 327 CG ARG A 20 1.925 -3.319 -13.323 1.00 0.00 C ATOM 328 CD ARG A 20 2.621 -4.667 -13.472 1.00 0.00 C ATOM 329 NE ARG A 20 2.323 -5.300 -14.754 1.00 0.00 N ATOM 330 CZ ARG A 20 2.641 -6.556 -15.061 1.00 0.00 C ATOM 331 NH1 ARG A 20 3.338 -7.296 -14.210 1.00 0.00 N ATOM 332 NH2 ARG A 20 2.292 -7.056 -16.241 1.00 0.00 N ATOM 0 H ARG A 20 -1.822 -2.658 -13.256 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.012 -4.164 -14.836 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.084 -2.436 -12.675 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.447 -3.972 -11.916 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.957 -2.794 -14.278 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.476 -2.710 -12.606 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.698 -4.531 -13.377 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.310 -5.326 -12.662 1.00 0.00 H new ATOM 0 HE ARG A 20 1.840 -4.744 -15.460 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.633 -6.904 -13.316 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.579 -8.258 -14.449 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.782 -6.478 -16.909 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.534 -8.018 -16.479 1.00 0.00 H new ATOM 346 N TRP A 21 -1.239 -5.747 -12.193 1.00 0.00 N ATOM 347 CA TRP A 21 -1.408 -7.074 -11.610 1.00 0.00 C ATOM 348 C TRP A 21 -2.746 -7.692 -11.980 1.00 0.00 C ATOM 349 O TRP A 21 -2.809 -8.819 -12.469 1.00 0.00 O ATOM 350 CB TRP A 21 -1.246 -7.008 -10.092 1.00 0.00 C ATOM 351 CG TRP A 21 0.168 -6.748 -9.671 1.00 0.00 C ATOM 352 CD1 TRP A 21 1.157 -7.677 -9.546 1.00 0.00 C ATOM 353 CD2 TRP A 21 0.758 -5.488 -9.328 1.00 0.00 C ATOM 354 NE1 TRP A 21 2.322 -7.074 -9.147 1.00 0.00 N ATOM 355 CE2 TRP A 21 2.106 -5.734 -9.005 1.00 0.00 C ATOM 356 CE3 TRP A 21 0.282 -4.180 -9.262 1.00 0.00 C ATOM 357 CZ2 TRP A 21 2.978 -4.721 -8.620 1.00 0.00 C ATOM 358 CZ3 TRP A 21 1.148 -3.173 -8.880 1.00 0.00 C ATOM 359 CH2 TRP A 21 2.484 -3.449 -8.565 1.00 0.00 C ATOM 0 H TRP A 21 -1.559 -4.980 -11.601 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.631 -7.718 -12.023 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.889 -6.222 -9.696 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -1.584 -7.947 -9.654 1.00 0.00 H new ATOM 0 HD1 TRP A 21 1.040 -8.734 -9.734 1.00 0.00 H new ATOM 0 HE1 TRP A 21 3.209 -7.551 -8.983 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.746 -3.957 -9.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.008 -4.933 -8.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.788 -2.156 -8.824 1.00 0.00 H new ATOM 0 HH2 TRP A 21 3.137 -2.640 -8.273 1.00 0.00 H new ATOM 370 N GLY A 22 -3.806 -6.953 -11.747 1.00 0.00 N ATOM 371 CA GLY A 22 -5.135 -7.434 -12.073 1.00 0.00 C ATOM 372 C GLY A 22 -5.927 -7.866 -10.857 1.00 0.00 C ATOM 373 O GLY A 22 -7.083 -7.480 -10.699 1.00 0.00 O ATOM 0 H GLY A 22 -3.778 -6.020 -11.335 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.681 -6.648 -12.594 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.051 -8.275 -12.762 1.00 0.00 H new ATOM 377 N ASP A 23 -5.306 -8.656 -9.988 1.00 0.00 N ATOM 378 CA ASP A 23 -5.996 -9.192 -8.813 1.00 0.00 C ATOM 379 C ASP A 23 -6.198 -8.126 -7.746 1.00 0.00 C ATOM 380 O ASP A 23 -6.928 -8.332 -6.777 1.00 0.00 O ATOM 381 CB ASP A 23 -5.231 -10.381 -8.229 1.00 0.00 C ATOM 382 CG ASP A 23 -5.364 -11.630 -9.076 1.00 0.00 C ATOM 383 OD1 ASP A 23 -4.609 -11.769 -10.064 1.00 0.00 O ATOM 384 OD2 ASP A 23 -6.219 -12.482 -8.754 1.00 0.00 O ATOM 0 H ASP A 23 -4.330 -8.940 -10.071 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.978 -9.531 -9.142 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.177 -10.120 -8.136 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.599 -10.587 -7.224 1.00 0.00 H new ATOM 389 N LEU A 24 -5.541 -6.990 -7.915 1.00 0.00 N ATOM 390 CA LEU A 24 -5.743 -5.863 -7.021 1.00 0.00 C ATOM 391 C LEU A 24 -6.965 -5.074 -7.465 1.00 0.00 C ATOM 392 O LEU A 24 -6.887 -4.266 -8.384 1.00 0.00 O ATOM 393 CB LEU A 24 -4.507 -4.961 -6.999 1.00 0.00 C ATOM 394 CG LEU A 24 -3.264 -5.580 -6.353 1.00 0.00 C ATOM 395 CD1 LEU A 24 -2.068 -4.666 -6.524 1.00 0.00 C ATOM 396 CD2 LEU A 24 -3.511 -5.852 -4.879 1.00 0.00 C ATOM 0 H LEU A 24 -4.865 -6.825 -8.661 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.905 -6.239 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.263 -4.679 -8.023 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.755 -4.043 -6.467 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.053 -6.526 -6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.193 -5.121 -6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.876 -4.513 -7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.273 -3.706 -6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.618 -6.292 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.746 -4.917 -4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.347 -6.543 -4.772 1.00 0.00 H new ATOM 408 N THR A 25 -8.094 -5.330 -6.823 1.00 0.00 N ATOM 409 CA THR A 25 -9.348 -4.715 -7.220 1.00 0.00 C ATOM 410 C THR A 25 -9.412 -3.263 -6.743 1.00 0.00 C ATOM 411 O THR A 25 -8.680 -2.868 -5.829 1.00 0.00 O ATOM 412 CB THR A 25 -10.558 -5.514 -6.678 1.00 0.00 C ATOM 413 OG1 THR A 25 -11.788 -4.946 -7.150 1.00 0.00 O ATOM 414 CG2 THR A 25 -10.557 -5.547 -5.156 1.00 0.00 C ATOM 0 H THR A 25 -8.166 -5.960 -6.024 1.00 0.00 H new ATOM 0 HA THR A 25 -9.395 -4.726 -8.309 1.00 0.00 H new ATOM 0 HB THR A 25 -10.472 -6.536 -7.046 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.318 -4.634 -6.387 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.418 -6.115 -4.804 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.641 -6.021 -4.803 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.611 -4.529 -4.770 1.00 0.00 H new ATOM 422 N ASP A 26 -10.289 -2.478 -7.365 1.00 0.00 N ATOM 423 CA ASP A 26 -10.426 -1.062 -7.034 1.00 0.00 C ATOM 424 C ASP A 26 -10.839 -0.887 -5.580 1.00 0.00 C ATOM 425 O ASP A 26 -10.547 0.131 -4.965 1.00 0.00 O ATOM 426 CB ASP A 26 -11.456 -0.379 -7.940 1.00 0.00 C ATOM 427 CG ASP A 26 -11.046 -0.354 -9.400 1.00 0.00 C ATOM 428 OD1 ASP A 26 -10.058 0.329 -9.741 1.00 0.00 O ATOM 429 OD2 ASP A 26 -11.730 -0.999 -10.224 1.00 0.00 O ATOM 0 H ASP A 26 -10.916 -2.800 -8.102 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.454 -0.594 -7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.411 -0.896 -7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.612 0.643 -7.596 1.00 0.00 H new ATOM 434 N ASP A 27 -11.514 -1.893 -5.036 1.00 0.00 N ATOM 435 CA ASP A 27 -11.978 -1.862 -3.650 1.00 0.00 C ATOM 436 C ASP A 27 -10.805 -1.692 -2.691 1.00 0.00 C ATOM 437 O ASP A 27 -10.841 -0.858 -1.786 1.00 0.00 O ATOM 438 CB ASP A 27 -12.723 -3.155 -3.308 1.00 0.00 C ATOM 439 CG ASP A 27 -13.820 -3.479 -4.298 1.00 0.00 C ATOM 440 OD1 ASP A 27 -13.499 -3.942 -5.413 1.00 0.00 O ATOM 441 OD2 ASP A 27 -15.006 -3.288 -3.964 1.00 0.00 O ATOM 0 H ASP A 27 -11.755 -2.748 -5.537 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.653 -1.013 -3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.012 -3.981 -3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.154 -3.068 -2.311 1.00 0.00 H new ATOM 446 N ASP A 28 -9.768 -2.494 -2.895 1.00 0.00 N ATOM 447 CA ASP A 28 -8.569 -2.435 -2.064 1.00 0.00 C ATOM 448 C ASP A 28 -7.815 -1.136 -2.296 1.00 0.00 C ATOM 449 O ASP A 28 -7.340 -0.498 -1.355 1.00 0.00 O ATOM 450 CB ASP A 28 -7.643 -3.618 -2.370 1.00 0.00 C ATOM 451 CG ASP A 28 -8.131 -4.922 -1.776 1.00 0.00 C ATOM 452 OD1 ASP A 28 -9.047 -5.535 -2.348 1.00 0.00 O ATOM 453 OD2 ASP A 28 -7.582 -5.352 -0.739 1.00 0.00 O ATOM 0 H ASP A 28 -9.732 -3.197 -3.633 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.884 -2.483 -1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.551 -3.730 -3.450 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.646 -3.401 -1.986 1.00 0.00 H new ATOM 458 N LEU A 29 -7.733 -0.740 -3.557 1.00 0.00 N ATOM 459 CA LEU A 29 -6.928 0.408 -3.957 1.00 0.00 C ATOM 460 C LEU A 29 -7.625 1.730 -3.636 1.00 0.00 C ATOM 461 O LEU A 29 -6.998 2.783 -3.624 1.00 0.00 O ATOM 462 CB LEU A 29 -6.621 0.324 -5.453 1.00 0.00 C ATOM 463 CG LEU A 29 -5.985 -0.991 -5.914 1.00 0.00 C ATOM 464 CD1 LEU A 29 -5.769 -0.979 -7.419 1.00 0.00 C ATOM 465 CD2 LEU A 29 -4.669 -1.234 -5.189 1.00 0.00 C ATOM 0 H LEU A 29 -8.218 -1.200 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.998 0.382 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.547 0.475 -6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.954 1.144 -5.718 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.667 -1.806 -5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.316 -1.921 -7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.727 -0.854 -7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.108 -0.154 -7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.233 -2.173 -5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.980 -0.416 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.850 -1.287 -4.115 1.00 0.00 H new ATOM 477 N GLN A 30 -8.923 1.677 -3.385 1.00 0.00 N ATOM 478 CA GLN A 30 -9.679 2.878 -3.046 1.00 0.00 C ATOM 479 C GLN A 30 -9.700 3.090 -1.534 1.00 0.00 C ATOM 480 O GLN A 30 -9.882 4.208 -1.052 1.00 0.00 O ATOM 481 CB GLN A 30 -11.112 2.772 -3.588 1.00 0.00 C ATOM 482 CG GLN A 30 -11.979 3.987 -3.295 1.00 0.00 C ATOM 483 CD GLN A 30 -13.400 3.827 -3.798 1.00 0.00 C ATOM 484 OE1 GLN A 30 -14.269 3.324 -3.085 1.00 0.00 O ATOM 485 NE2 GLN A 30 -13.651 4.261 -5.023 1.00 0.00 N ATOM 0 H GLN A 30 -9.476 0.820 -3.409 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.191 3.736 -3.507 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -11.071 2.620 -4.667 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.586 1.889 -3.160 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.996 4.165 -2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.532 4.867 -3.757 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.903 4.672 -5.582 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -14.592 4.185 -5.408 1.00 0.00 H new ATOM 494 N ALA A 31 -9.486 2.015 -0.793 1.00 0.00 N ATOM 495 CA ALA A 31 -9.623 2.042 0.658 1.00 0.00 C ATOM 496 C ALA A 31 -8.299 2.328 1.363 1.00 0.00 C ATOM 497 O ALA A 31 -8.265 3.047 2.360 1.00 0.00 O ATOM 498 CB ALA A 31 -10.177 0.714 1.140 1.00 0.00 C ATOM 0 H ALA A 31 -9.215 1.108 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.307 2.853 0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.279 0.735 2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.153 0.541 0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.497 -0.089 0.855 1.00 0.00 H new ATOM 504 N ALA A 32 -7.219 1.759 0.843 1.00 0.00 N ATOM 505 CA ALA A 32 -5.927 1.787 1.527 1.00 0.00 C ATOM 506 C ALA A 32 -5.314 3.187 1.588 1.00 0.00 C ATOM 507 O ALA A 32 -5.807 4.131 0.965 1.00 0.00 O ATOM 508 CB ALA A 32 -4.968 0.821 0.854 1.00 0.00 C ATOM 0 H ALA A 32 -7.210 1.271 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.103 1.479 2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.007 0.846 1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.377 -0.188 0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.831 1.111 -0.188 1.00 0.00 H new ATOM 514 N ASP A 33 -4.233 3.300 2.363 1.00 0.00 N ATOM 515 CA ASP A 33 -3.489 4.550 2.506 1.00 0.00 C ATOM 516 C ASP A 33 -2.847 4.957 1.185 1.00 0.00 C ATOM 517 O ASP A 33 -3.247 5.947 0.573 1.00 0.00 O ATOM 518 CB ASP A 33 -2.407 4.409 3.585 1.00 0.00 C ATOM 519 CG ASP A 33 -1.409 5.558 3.573 1.00 0.00 C ATOM 520 OD1 ASP A 33 -1.636 6.565 4.271 1.00 0.00 O ATOM 521 OD2 ASP A 33 -0.383 5.451 2.868 1.00 0.00 O ATOM 0 H ASP A 33 -3.850 2.527 2.908 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.194 5.326 2.804 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.882 4.357 4.565 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.874 3.469 3.438 1.00 0.00 H new ATOM 526 N GLY A 34 -1.848 4.197 0.754 1.00 0.00 N ATOM 527 CA GLY A 34 -1.197 4.494 -0.499 1.00 0.00 C ATOM 528 C GLY A 34 0.279 4.171 -0.501 1.00 0.00 C ATOM 529 O GLY A 34 0.800 3.692 -1.502 1.00 0.00 O ATOM 0 H GLY A 34 -1.481 3.385 1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.685 3.932 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.330 5.552 -0.727 1.00 0.00 H new ATOM 533 N HIS A 35 0.960 4.429 0.615 1.00 0.00 N ATOM 534 CA HIS A 35 2.412 4.241 0.675 1.00 0.00 C ATOM 535 C HIS A 35 2.796 2.795 0.338 1.00 0.00 C ATOM 536 O HIS A 35 2.098 1.849 0.725 1.00 0.00 O ATOM 537 CB HIS A 35 2.973 4.663 2.043 1.00 0.00 C ATOM 538 CG HIS A 35 2.684 3.714 3.165 1.00 0.00 C ATOM 539 ND1 HIS A 35 3.669 3.033 3.837 1.00 0.00 N ATOM 540 CD2 HIS A 35 1.520 3.353 3.747 1.00 0.00 C ATOM 541 CE1 HIS A 35 3.125 2.294 4.782 1.00 0.00 C ATOM 542 NE2 HIS A 35 1.820 2.469 4.750 1.00 0.00 N ATOM 0 H HIS A 35 0.538 4.765 1.481 1.00 0.00 H new ATOM 0 HA HIS A 35 2.862 4.888 -0.078 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.053 4.780 1.955 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.566 5.641 2.300 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.534 3.698 3.472 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.659 1.653 5.468 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.145 2.021 5.369 1.00 0.00 H new ATOM 551 N ALA A 36 3.916 2.653 -0.370 1.00 0.00 N ATOM 552 CA ALA A 36 4.339 1.384 -0.970 1.00 0.00 C ATOM 553 C ALA A 36 4.287 0.202 -0.003 1.00 0.00 C ATOM 554 O ALA A 36 3.848 -0.884 -0.381 1.00 0.00 O ATOM 555 CB ALA A 36 5.742 1.523 -1.540 1.00 0.00 C ATOM 0 H ALA A 36 4.563 3.422 -0.546 1.00 0.00 H new ATOM 0 HA ALA A 36 3.625 1.166 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.050 0.576 -1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.749 2.301 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.434 1.791 -0.742 1.00 0.00 H new ATOM 561 N GLU A 37 4.726 0.408 1.235 1.00 0.00 N ATOM 562 CA GLU A 37 4.787 -0.675 2.217 1.00 0.00 C ATOM 563 C GLU A 37 3.422 -1.334 2.414 1.00 0.00 C ATOM 564 O GLU A 37 3.338 -2.525 2.713 1.00 0.00 O ATOM 565 CB GLU A 37 5.304 -0.167 3.564 1.00 0.00 C ATOM 566 CG GLU A 37 6.671 0.491 3.491 1.00 0.00 C ATOM 567 CD GLU A 37 6.575 1.998 3.423 1.00 0.00 C ATOM 568 OE1 GLU A 37 5.967 2.516 2.464 1.00 0.00 O ATOM 569 OE2 GLU A 37 7.072 2.671 4.347 1.00 0.00 O ATOM 0 H GLU A 37 5.045 1.312 1.584 1.00 0.00 H new ATOM 0 HA GLU A 37 5.480 -1.419 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.589 0.548 3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.351 -1.002 4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.257 0.205 4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.204 0.122 2.614 1.00 0.00 H new ATOM 576 N TYR A 38 2.356 -0.566 2.232 1.00 0.00 N ATOM 577 CA TYR A 38 1.014 -1.087 2.432 1.00 0.00 C ATOM 578 C TYR A 38 0.557 -1.836 1.182 1.00 0.00 C ATOM 579 O TYR A 38 -0.181 -2.818 1.265 1.00 0.00 O ATOM 580 CB TYR A 38 0.041 0.046 2.774 1.00 0.00 C ATOM 581 CG TYR A 38 -1.233 -0.433 3.430 1.00 0.00 C ATOM 582 CD1 TYR A 38 -1.278 -0.678 4.796 1.00 0.00 C ATOM 583 CD2 TYR A 38 -2.382 -0.644 2.686 1.00 0.00 C ATOM 584 CE1 TYR A 38 -2.438 -1.119 5.402 1.00 0.00 C ATOM 585 CE2 TYR A 38 -3.546 -1.084 3.283 1.00 0.00 C ATOM 586 CZ TYR A 38 -3.568 -1.322 4.642 1.00 0.00 C ATOM 587 OH TYR A 38 -4.725 -1.762 5.243 1.00 0.00 O ATOM 0 H TYR A 38 2.395 0.413 1.948 1.00 0.00 H new ATOM 0 HA TYR A 38 1.027 -1.783 3.271 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.538 0.754 3.437 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.210 0.587 1.862 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.392 -0.521 5.394 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.367 -0.461 1.622 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.459 -1.304 6.466 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.435 -1.241 2.690 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.430 -1.854 4.568 1.00 0.00 H new ATOM 597 N LEU A 39 1.017 -1.371 0.025 1.00 0.00 N ATOM 598 CA LEU A 39 0.732 -2.034 -1.237 1.00 0.00 C ATOM 599 C LEU A 39 1.424 -3.393 -1.272 1.00 0.00 C ATOM 600 O LEU A 39 0.876 -4.372 -1.787 1.00 0.00 O ATOM 601 CB LEU A 39 1.201 -1.168 -2.409 1.00 0.00 C ATOM 602 CG LEU A 39 0.808 -1.685 -3.792 1.00 0.00 C ATOM 603 CD1 LEU A 39 -0.706 -1.765 -3.912 1.00 0.00 C ATOM 604 CD2 LEU A 39 1.385 -0.792 -4.880 1.00 0.00 C ATOM 0 H LEU A 39 1.592 -0.533 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.344 -2.181 -1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.795 -0.164 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.287 -1.081 -2.365 1.00 0.00 H new ATOM 0 HG LEU A 39 1.220 -2.686 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.973 -2.135 -4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.096 -2.444 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.135 -0.774 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.095 -1.176 -5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.002 0.222 -4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.472 -0.781 -4.803 1.00 0.00 H new ATOM 616 N VAL A 40 2.629 -3.439 -0.710 1.00 0.00 N ATOM 617 CA VAL A 40 3.368 -4.687 -0.551 1.00 0.00 C ATOM 618 C VAL A 40 2.529 -5.703 0.219 1.00 0.00 C ATOM 619 O VAL A 40 2.432 -6.869 -0.167 1.00 0.00 O ATOM 620 CB VAL A 40 4.708 -4.449 0.189 1.00 0.00 C ATOM 621 CG1 VAL A 40 5.419 -5.762 0.478 1.00 0.00 C ATOM 622 CG2 VAL A 40 5.607 -3.532 -0.623 1.00 0.00 C ATOM 0 H VAL A 40 3.118 -2.617 -0.354 1.00 0.00 H new ATOM 0 HA VAL A 40 3.586 -5.078 -1.545 1.00 0.00 H new ATOM 0 HB VAL A 40 4.483 -3.970 1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.356 -5.562 0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.784 -6.390 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.627 -6.277 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.544 -3.375 -0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.813 -3.988 -1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.110 -2.574 -0.772 1.00 0.00 H new ATOM 632 N GLY A 41 1.902 -5.238 1.297 1.00 0.00 N ATOM 633 CA GLY A 41 1.047 -6.096 2.096 1.00 0.00 C ATOM 634 C GLY A 41 -0.141 -6.619 1.310 1.00 0.00 C ATOM 635 O GLY A 41 -0.550 -7.767 1.480 1.00 0.00 O ATOM 0 H GLY A 41 1.972 -4.277 1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.630 -6.937 2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.690 -5.542 2.964 1.00 0.00 H new ATOM 639 N LYS A 42 -0.686 -5.778 0.436 1.00 0.00 N ATOM 640 CA LYS A 42 -1.809 -6.165 -0.410 1.00 0.00 C ATOM 641 C LYS A 42 -1.409 -7.280 -1.373 1.00 0.00 C ATOM 642 O LYS A 42 -2.164 -8.229 -1.582 1.00 0.00 O ATOM 643 CB LYS A 42 -2.334 -4.958 -1.193 1.00 0.00 C ATOM 644 CG LYS A 42 -3.115 -3.965 -0.344 1.00 0.00 C ATOM 645 CD LYS A 42 -4.408 -4.574 0.175 1.00 0.00 C ATOM 646 CE LYS A 42 -5.241 -3.558 0.938 1.00 0.00 C ATOM 647 NZ LYS A 42 -6.537 -4.134 1.386 1.00 0.00 N ATOM 0 H LYS A 42 -0.366 -4.820 0.295 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.603 -6.537 0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.492 -4.443 -1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.974 -5.312 -2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.501 -3.641 0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.341 -3.077 -0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.987 -4.965 -0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.178 -5.418 0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.681 -3.205 1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.428 -2.691 0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.040 -3.440 1.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.117 -4.370 0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.361 -4.995 1.941 1.00 0.00 H new ATOM 661 N LEU A 43 -0.214 -7.169 -1.947 1.00 0.00 N ATOM 662 CA LEU A 43 0.290 -8.183 -2.869 1.00 0.00 C ATOM 663 C LEU A 43 0.467 -9.521 -2.162 1.00 0.00 C ATOM 664 O LEU A 43 0.155 -10.578 -2.718 1.00 0.00 O ATOM 665 CB LEU A 43 1.620 -7.744 -3.481 1.00 0.00 C ATOM 666 CG LEU A 43 1.538 -6.545 -4.425 1.00 0.00 C ATOM 667 CD1 LEU A 43 2.920 -6.182 -4.943 1.00 0.00 C ATOM 668 CD2 LEU A 43 0.603 -6.846 -5.585 1.00 0.00 C ATOM 0 H LEU A 43 0.423 -6.388 -1.790 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.445 -8.302 -3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.311 -7.504 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.047 -8.586 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 43 1.141 -5.695 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.844 -5.326 -5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.568 -5.929 -4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.340 -7.030 -5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.556 -5.982 -6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.976 -7.708 -6.138 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.394 -7.064 -5.202 1.00 0.00 H new ATOM 680 N GLN A 44 0.955 -9.466 -0.930 1.00 0.00 N ATOM 681 CA GLN A 44 1.163 -10.669 -0.138 1.00 0.00 C ATOM 682 C GLN A 44 -0.170 -11.324 0.222 1.00 0.00 C ATOM 683 O GLN A 44 -0.246 -12.538 0.387 1.00 0.00 O ATOM 684 CB GLN A 44 1.953 -10.348 1.132 1.00 0.00 C ATOM 685 CG GLN A 44 3.338 -9.776 0.862 1.00 0.00 C ATOM 686 CD GLN A 44 4.141 -9.517 2.125 1.00 0.00 C ATOM 687 OE1 GLN A 44 4.957 -8.598 2.175 1.00 0.00 O ATOM 688 NE2 GLN A 44 3.941 -10.333 3.150 1.00 0.00 N ATOM 0 H GLN A 44 1.214 -8.600 -0.458 1.00 0.00 H new ATOM 0 HA GLN A 44 1.739 -11.371 -0.740 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.386 -9.636 1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.054 -11.256 1.726 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.890 -10.467 0.225 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.236 -8.843 0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.257 -11.086 3.077 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.471 -10.208 4.012 1.00 0.00 H new ATOM 697 N GLU A 45 -1.220 -10.521 0.334 1.00 0.00 N ATOM 698 CA GLU A 45 -2.547 -11.050 0.629 1.00 0.00 C ATOM 699 C GLU A 45 -3.192 -11.640 -0.622 1.00 0.00 C ATOM 700 O GLU A 45 -3.902 -12.639 -0.549 1.00 0.00 O ATOM 701 CB GLU A 45 -3.447 -9.960 1.214 1.00 0.00 C ATOM 702 CG GLU A 45 -2.946 -9.391 2.531 1.00 0.00 C ATOM 703 CD GLU A 45 -2.805 -10.442 3.614 1.00 0.00 C ATOM 704 OE1 GLU A 45 -3.781 -10.674 4.356 1.00 0.00 O ATOM 705 OE2 GLU A 45 -1.712 -11.033 3.739 1.00 0.00 O ATOM 0 H GLU A 45 -1.181 -9.507 0.226 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.430 -11.844 1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.538 -9.150 0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.447 -10.368 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.981 -8.912 2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.634 -8.617 2.871 1.00 0.00 H new ATOM 712 N ARG A 46 -2.935 -11.021 -1.769 1.00 0.00 N ATOM 713 CA ARG A 46 -3.520 -11.466 -3.030 1.00 0.00 C ATOM 714 C ARG A 46 -2.885 -12.763 -3.520 1.00 0.00 C ATOM 715 O ARG A 46 -3.569 -13.760 -3.731 1.00 0.00 O ATOM 716 CB ARG A 46 -3.357 -10.399 -4.117 1.00 0.00 C ATOM 717 CG ARG A 46 -4.162 -9.130 -3.893 1.00 0.00 C ATOM 718 CD ARG A 46 -5.662 -9.379 -3.956 1.00 0.00 C ATOM 719 NE ARG A 46 -6.205 -9.829 -2.676 1.00 0.00 N ATOM 720 CZ ARG A 46 -6.813 -9.022 -1.811 1.00 0.00 C ATOM 721 NH1 ARG A 46 -6.947 -7.734 -2.095 1.00 0.00 N ATOM 722 NH2 ARG A 46 -7.292 -9.497 -0.671 1.00 0.00 N ATOM 0 H ARG A 46 -2.324 -10.208 -1.852 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.579 -11.639 -2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.302 -10.135 -4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.645 -10.830 -5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.907 -8.707 -2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.887 -8.390 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.167 -8.462 -4.260 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.872 -10.127 -4.720 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.113 -10.815 -2.433 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.584 -7.365 -2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.413 -7.112 -1.434 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.196 -10.488 -0.451 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.757 -8.871 -0.013 1.00 0.00 H new ATOM 736 N TYR A 47 -1.572 -12.739 -3.706 1.00 0.00 N ATOM 737 CA TYR A 47 -0.874 -13.852 -4.339 1.00 0.00 C ATOM 738 C TYR A 47 -0.119 -14.701 -3.329 1.00 0.00 C ATOM 739 O TYR A 47 0.245 -15.839 -3.620 1.00 0.00 O ATOM 740 CB TYR A 47 0.111 -13.327 -5.377 1.00 0.00 C ATOM 741 CG TYR A 47 -0.525 -12.593 -6.531 1.00 0.00 C ATOM 742 CD1 TYR A 47 -0.807 -11.234 -6.450 1.00 0.00 C ATOM 743 CD2 TYR A 47 -0.825 -13.255 -7.709 1.00 0.00 C ATOM 744 CE1 TYR A 47 -1.376 -10.561 -7.511 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.393 -12.591 -8.773 1.00 0.00 C ATOM 746 CZ TYR A 47 -1.666 -11.243 -8.673 1.00 0.00 C ATOM 747 OH TYR A 47 -2.241 -10.580 -9.730 1.00 0.00 O ATOM 0 H TYR A 47 -0.970 -11.964 -3.429 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.630 -14.477 -4.814 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.817 -12.659 -4.884 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.686 -14.165 -5.770 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.577 -10.697 -5.542 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.610 -14.310 -7.795 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.593 -9.506 -7.432 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.624 -13.124 -9.683 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.008 -11.093 -10.060 1.00 0.00 H new ATOM 757 N GLY A 48 0.128 -14.146 -2.158 1.00 0.00 N ATOM 758 CA GLY A 48 0.921 -14.851 -1.175 1.00 0.00 C ATOM 759 C GLY A 48 2.400 -14.783 -1.493 1.00 0.00 C ATOM 760 O GLY A 48 3.127 -15.763 -1.324 1.00 0.00 O ATOM 0 H GLY A 48 -0.203 -13.225 -1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.741 -14.424 -0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.606 -15.894 -1.133 1.00 0.00 H new ATOM 764 N TRP A 49 2.850 -13.620 -1.946 1.00 0.00 N ATOM 765 CA TRP A 49 4.253 -13.428 -2.292 1.00 0.00 C ATOM 766 C TRP A 49 5.067 -13.111 -1.049 1.00 0.00 C ATOM 767 O TRP A 49 4.522 -12.690 -0.027 1.00 0.00 O ATOM 768 CB TRP A 49 4.428 -12.281 -3.292 1.00 0.00 C ATOM 769 CG TRP A 49 3.854 -12.539 -4.651 1.00 0.00 C ATOM 770 CD1 TRP A 49 3.564 -13.748 -5.215 1.00 0.00 C ATOM 771 CD2 TRP A 49 3.522 -11.550 -5.628 1.00 0.00 C ATOM 772 NE1 TRP A 49 3.059 -13.565 -6.481 1.00 0.00 N ATOM 773 CE2 TRP A 49 3.028 -12.224 -6.759 1.00 0.00 C ATOM 774 CE3 TRP A 49 3.593 -10.156 -5.655 1.00 0.00 C ATOM 775 CZ2 TRP A 49 2.609 -11.554 -7.902 1.00 0.00 C ATOM 776 CZ3 TRP A 49 3.175 -9.491 -6.790 1.00 0.00 C ATOM 777 CH2 TRP A 49 2.688 -10.190 -7.901 1.00 0.00 C ATOM 0 H TRP A 49 2.265 -12.796 -2.082 1.00 0.00 H new ATOM 0 HA TRP A 49 4.604 -14.356 -2.744 1.00 0.00 H new ATOM 0 HB2 TRP A 49 3.963 -11.385 -2.881 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.492 -12.068 -3.397 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.710 -14.706 -4.738 1.00 0.00 H new ATOM 0 HE1 TRP A 49 2.756 -14.308 -7.111 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.968 -9.608 -4.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.234 -12.092 -8.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.224 -8.413 -6.822 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.369 -9.640 -8.774 1.00 0.00 H new ATOM 788 N SER A 50 6.363 -13.341 -1.134 1.00 0.00 N ATOM 789 CA SER A 50 7.276 -12.916 -0.095 1.00 0.00 C ATOM 790 C SER A 50 7.439 -11.399 -0.172 1.00 0.00 C ATOM 791 O SER A 50 7.226 -10.803 -1.233 1.00 0.00 O ATOM 792 CB SER A 50 8.626 -13.622 -0.262 1.00 0.00 C ATOM 793 OG SER A 50 9.438 -13.467 0.888 1.00 0.00 O ATOM 0 H SER A 50 6.807 -13.822 -1.916 1.00 0.00 H new ATOM 0 HA SER A 50 6.878 -13.182 0.884 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.462 -14.683 -0.453 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.144 -13.218 -1.132 1.00 0.00 H new ATOM 0 HG SER A 50 10.291 -13.930 0.751 1.00 0.00 H new ATOM 799 N LYS A 51 7.816 -10.776 0.936 1.00 0.00 N ATOM 800 CA LYS A 51 7.902 -9.322 1.006 1.00 0.00 C ATOM 801 C LYS A 51 8.952 -8.783 0.038 1.00 0.00 C ATOM 802 O LYS A 51 8.741 -7.755 -0.602 1.00 0.00 O ATOM 803 CB LYS A 51 8.199 -8.866 2.439 1.00 0.00 C ATOM 804 CG LYS A 51 8.335 -7.357 2.584 1.00 0.00 C ATOM 805 CD LYS A 51 8.376 -6.927 4.044 1.00 0.00 C ATOM 806 CE LYS A 51 6.978 -6.684 4.614 1.00 0.00 C ATOM 807 NZ LYS A 51 6.113 -7.895 4.561 1.00 0.00 N ATOM 0 H LYS A 51 8.068 -11.255 1.801 1.00 0.00 H new ATOM 0 HA LYS A 51 6.935 -8.915 0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.401 -9.215 3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.120 -9.339 2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.244 -7.025 2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.498 -6.868 2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.878 -7.694 4.633 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.968 -6.016 4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.065 -6.351 5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.500 -5.877 4.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.269 -7.745 5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.823 -8.072 3.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.642 -8.716 4.919 1.00 0.00 H new ATOM 821 N GLU A 52 10.076 -9.483 -0.076 1.00 0.00 N ATOM 822 CA GLU A 52 11.123 -9.090 -1.015 1.00 0.00 C ATOM 823 C GLU A 52 10.597 -9.103 -2.446 1.00 0.00 C ATOM 824 O GLU A 52 10.871 -8.195 -3.229 1.00 0.00 O ATOM 825 CB GLU A 52 12.328 -10.020 -0.905 1.00 0.00 C ATOM 826 CG GLU A 52 12.959 -10.041 0.473 1.00 0.00 C ATOM 827 CD GLU A 52 14.245 -10.832 0.499 1.00 0.00 C ATOM 828 OE1 GLU A 52 14.182 -12.079 0.472 1.00 0.00 O ATOM 829 OE2 GLU A 52 15.326 -10.211 0.537 1.00 0.00 O ATOM 0 H GLU A 52 10.286 -10.321 0.466 1.00 0.00 H new ATOM 0 HA GLU A 52 11.434 -8.077 -0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.020 -11.032 -1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.079 -9.715 -1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.156 -9.019 0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.256 -10.470 1.186 1.00 0.00 H new ATOM 836 N ARG A 53 9.822 -10.130 -2.775 1.00 0.00 N ATOM 837 CA ARG A 53 9.266 -10.263 -4.113 1.00 0.00 C ATOM 838 C ARG A 53 8.248 -9.164 -4.376 1.00 0.00 C ATOM 839 O ARG A 53 8.266 -8.530 -5.428 1.00 0.00 O ATOM 840 CB ARG A 53 8.619 -11.637 -4.292 1.00 0.00 C ATOM 841 CG ARG A 53 8.081 -11.875 -5.694 1.00 0.00 C ATOM 842 CD ARG A 53 7.727 -13.336 -5.904 1.00 0.00 C ATOM 843 NE ARG A 53 8.854 -14.206 -5.566 1.00 0.00 N ATOM 844 CZ ARG A 53 8.760 -15.521 -5.379 1.00 0.00 C ATOM 845 NH1 ARG A 53 7.630 -16.160 -5.655 1.00 0.00 N ATOM 846 NH2 ARG A 53 9.813 -16.199 -4.946 1.00 0.00 N ATOM 0 H ARG A 53 9.566 -10.881 -2.134 1.00 0.00 H new ATOM 0 HA ARG A 53 10.078 -10.166 -4.833 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.352 -12.409 -4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.804 -11.742 -3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.198 -11.257 -5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.825 -11.569 -6.429 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.866 -13.596 -5.289 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.438 -13.498 -6.942 1.00 0.00 H new ATOM 0 HE ARG A 53 9.774 -13.776 -5.467 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.826 -15.644 -6.013 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.565 -17.167 -5.509 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.690 -15.713 -4.758 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.747 -17.206 -4.801 1.00 0.00 H new ATOM 860 N ALA A 54 7.374 -8.931 -3.407 1.00 0.00 N ATOM 861 CA ALA A 54 6.357 -7.900 -3.529 1.00 0.00 C ATOM 862 C ALA A 54 6.996 -6.514 -3.627 1.00 0.00 C ATOM 863 O ALA A 54 6.531 -5.662 -4.380 1.00 0.00 O ATOM 864 CB ALA A 54 5.391 -7.972 -2.358 1.00 0.00 C ATOM 0 H ALA A 54 7.350 -9.444 -2.526 1.00 0.00 H new ATOM 0 HA ALA A 54 5.797 -8.074 -4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.635 -7.194 -2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.908 -8.949 -2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.937 -7.825 -1.426 1.00 0.00 H new ATOM 870 N GLU A 55 8.075 -6.309 -2.872 1.00 0.00 N ATOM 871 CA GLU A 55 8.817 -5.051 -2.901 1.00 0.00 C ATOM 872 C GLU A 55 9.311 -4.778 -4.320 1.00 0.00 C ATOM 873 O GLU A 55 8.955 -3.769 -4.930 1.00 0.00 O ATOM 874 CB GLU A 55 10.001 -5.125 -1.926 1.00 0.00 C ATOM 875 CG GLU A 55 10.359 -3.804 -1.249 1.00 0.00 C ATOM 876 CD GLU A 55 11.020 -2.799 -2.172 1.00 0.00 C ATOM 877 OE1 GLU A 55 12.269 -2.801 -2.273 1.00 0.00 O ATOM 878 OE2 GLU A 55 10.301 -1.976 -2.771 1.00 0.00 O ATOM 0 H GLU A 55 8.456 -7.003 -2.229 1.00 0.00 H new ATOM 0 HA GLU A 55 8.162 -4.235 -2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.773 -5.861 -1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.875 -5.489 -2.466 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.453 -3.362 -0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.026 -4.006 -0.411 1.00 0.00 H new ATOM 885 N GLN A 56 10.091 -5.714 -4.853 1.00 0.00 N ATOM 886 CA GLN A 56 10.644 -5.596 -6.201 1.00 0.00 C ATOM 887 C GLN A 56 9.543 -5.531 -7.257 1.00 0.00 C ATOM 888 O GLN A 56 9.703 -4.886 -8.294 1.00 0.00 O ATOM 889 CB GLN A 56 11.575 -6.777 -6.494 1.00 0.00 C ATOM 890 CG GLN A 56 13.035 -6.522 -6.148 1.00 0.00 C ATOM 891 CD GLN A 56 13.222 -5.877 -4.790 1.00 0.00 C ATOM 892 OE1 GLN A 56 13.257 -4.653 -4.676 1.00 0.00 O ATOM 893 NE2 GLN A 56 13.348 -6.686 -3.753 1.00 0.00 N ATOM 0 H GLN A 56 10.357 -6.571 -4.368 1.00 0.00 H new ATOM 0 HA GLN A 56 11.210 -4.665 -6.246 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.227 -7.646 -5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.503 -7.028 -7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.578 -7.467 -6.172 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.476 -5.881 -6.911 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.314 -7.697 -3.887 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.480 -6.300 -2.818 1.00 0.00 H new ATOM 902 N GLU A 57 8.428 -6.198 -6.991 1.00 0.00 N ATOM 903 CA GLU A 57 7.317 -6.228 -7.932 1.00 0.00 C ATOM 904 C GLU A 57 6.666 -4.846 -8.040 1.00 0.00 C ATOM 905 O GLU A 57 6.321 -4.395 -9.134 1.00 0.00 O ATOM 906 CB GLU A 57 6.290 -7.277 -7.500 1.00 0.00 C ATOM 907 CG GLU A 57 5.579 -7.945 -8.663 1.00 0.00 C ATOM 908 CD GLU A 57 6.534 -8.667 -9.593 1.00 0.00 C ATOM 909 OE1 GLU A 57 6.931 -9.811 -9.278 1.00 0.00 O ATOM 910 OE2 GLU A 57 6.886 -8.100 -10.646 1.00 0.00 O ATOM 0 H GLU A 57 8.269 -6.725 -6.132 1.00 0.00 H new ATOM 0 HA GLU A 57 7.699 -6.500 -8.916 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.791 -8.040 -6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.549 -6.804 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.847 -8.655 -8.277 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.027 -7.193 -9.227 1.00 0.00 H new ATOM 917 N VAL A 58 6.515 -4.172 -6.901 1.00 0.00 N ATOM 918 CA VAL A 58 5.996 -2.806 -6.881 1.00 0.00 C ATOM 919 C VAL A 58 6.957 -1.868 -7.604 1.00 0.00 C ATOM 920 O VAL A 58 6.538 -0.964 -8.330 1.00 0.00 O ATOM 921 CB VAL A 58 5.777 -2.291 -5.437 1.00 0.00 C ATOM 922 CG1 VAL A 58 5.336 -0.832 -5.434 1.00 0.00 C ATOM 923 CG2 VAL A 58 4.753 -3.146 -4.709 1.00 0.00 C ATOM 0 H VAL A 58 6.744 -4.549 -5.981 1.00 0.00 H new ATOM 0 HA VAL A 58 5.032 -2.821 -7.389 1.00 0.00 H new ATOM 0 HB VAL A 58 6.730 -2.363 -4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.190 -0.498 -4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.102 -0.219 -5.909 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.400 -0.734 -5.984 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.615 -2.766 -3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.803 -3.110 -5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.105 -4.177 -4.665 1.00 0.00 H new ATOM 933 N ARG A 59 8.250 -2.099 -7.411 1.00 0.00 N ATOM 934 CA ARG A 59 9.275 -1.275 -8.037 1.00 0.00 C ATOM 935 C ARG A 59 9.253 -1.446 -9.549 1.00 0.00 C ATOM 936 O ARG A 59 9.401 -0.478 -10.287 1.00 0.00 O ATOM 937 CB ARG A 59 10.654 -1.625 -7.489 1.00 0.00 C ATOM 938 CG ARG A 59 10.726 -1.552 -5.978 1.00 0.00 C ATOM 939 CD ARG A 59 12.129 -1.801 -5.466 1.00 0.00 C ATOM 940 NE ARG A 59 13.020 -0.681 -5.739 1.00 0.00 N ATOM 941 CZ ARG A 59 13.961 -0.267 -4.896 1.00 0.00 C ATOM 942 NH1 ARG A 59 14.136 -0.889 -3.730 1.00 0.00 N ATOM 943 NH2 ARG A 59 14.718 0.774 -5.221 1.00 0.00 N ATOM 0 H ARG A 59 8.613 -2.851 -6.825 1.00 0.00 H new ATOM 0 HA ARG A 59 9.061 -0.232 -7.802 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.923 -2.631 -7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.392 -0.945 -7.916 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.387 -0.571 -5.646 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.046 -2.287 -5.546 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.095 -1.983 -4.392 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.529 -2.703 -5.930 1.00 0.00 H new ATOM 0 HE ARG A 59 12.916 -0.187 -6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.547 -1.684 -3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.859 -0.569 -3.085 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.575 1.250 -6.112 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.442 1.098 -4.580 1.00 0.00 H new ATOM 957 N ASP A 60 9.054 -2.681 -10.003 1.00 0.00 N ATOM 958 CA ASP A 60 8.941 -2.964 -11.432 1.00 0.00 C ATOM 959 C ASP A 60 7.859 -2.090 -12.059 1.00 0.00 C ATOM 960 O ASP A 60 8.043 -1.533 -13.137 1.00 0.00 O ATOM 961 CB ASP A 60 8.630 -4.446 -11.662 1.00 0.00 C ATOM 962 CG ASP A 60 8.384 -4.772 -13.122 1.00 0.00 C ATOM 963 OD1 ASP A 60 9.367 -4.863 -13.897 1.00 0.00 O ATOM 964 OD2 ASP A 60 7.211 -4.956 -13.503 1.00 0.00 O ATOM 0 H ASP A 60 8.968 -3.501 -9.403 1.00 0.00 H new ATOM 0 HA ASP A 60 9.894 -2.734 -11.908 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.460 -5.049 -11.294 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.752 -4.724 -11.079 1.00 0.00 H new ATOM 969 N PHE A 61 6.748 -1.954 -11.353 1.00 0.00 N ATOM 970 CA PHE A 61 5.653 -1.093 -11.784 1.00 0.00 C ATOM 971 C PHE A 61 6.043 0.385 -11.702 1.00 0.00 C ATOM 972 O PHE A 61 5.821 1.151 -12.642 1.00 0.00 O ATOM 973 CB PHE A 61 4.416 -1.367 -10.920 1.00 0.00 C ATOM 974 CG PHE A 61 3.341 -0.317 -11.020 1.00 0.00 C ATOM 975 CD1 PHE A 61 2.544 -0.221 -12.148 1.00 0.00 C ATOM 976 CD2 PHE A 61 3.126 0.570 -9.976 1.00 0.00 C ATOM 977 CE1 PHE A 61 1.556 0.740 -12.236 1.00 0.00 C ATOM 978 CE2 PHE A 61 2.140 1.535 -10.059 1.00 0.00 C ATOM 979 CZ PHE A 61 1.352 1.619 -11.191 1.00 0.00 C ATOM 0 H PHE A 61 6.578 -2.434 -10.469 1.00 0.00 H new ATOM 0 HA PHE A 61 5.426 -1.317 -12.826 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.994 -2.330 -11.207 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.727 -1.453 -9.879 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.697 -0.906 -12.969 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.736 0.506 -9.087 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.943 0.804 -13.123 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.986 2.222 -9.240 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.579 2.370 -11.258 1.00 0.00 H new ATOM 989 N SER A 62 6.643 0.765 -10.583 1.00 0.00 N ATOM 990 CA SER A 62 6.952 2.163 -10.303 1.00 0.00 C ATOM 991 C SER A 62 8.072 2.695 -11.201 1.00 0.00 C ATOM 992 O SER A 62 8.130 3.890 -11.490 1.00 0.00 O ATOM 993 CB SER A 62 7.330 2.318 -8.828 1.00 0.00 C ATOM 994 OG SER A 62 6.313 1.795 -7.988 1.00 0.00 O ATOM 0 H SER A 62 6.928 0.119 -9.847 1.00 0.00 H new ATOM 0 HA SER A 62 6.062 2.754 -10.518 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.270 1.802 -8.633 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.491 3.371 -8.598 1.00 0.00 H new ATOM 0 HG SER A 62 6.314 0.817 -8.044 1.00 0.00 H new ATOM 1000 N ASP A 63 8.957 1.812 -11.648 1.00 0.00 N ATOM 1001 CA ASP A 63 10.050 2.210 -12.529 1.00 0.00 C ATOM 1002 C ASP A 63 9.602 2.216 -13.989 1.00 0.00 C ATOM 1003 O ASP A 63 10.388 2.512 -14.890 1.00 0.00 O ATOM 1004 CB ASP A 63 11.268 1.297 -12.341 1.00 0.00 C ATOM 1005 CG ASP A 63 12.074 1.640 -11.099 1.00 0.00 C ATOM 1006 OD1 ASP A 63 12.804 2.652 -11.120 1.00 0.00 O ATOM 1007 OD2 ASP A 63 11.987 0.899 -10.095 1.00 0.00 O ATOM 0 H ASP A 63 8.940 0.819 -11.416 1.00 0.00 H new ATOM 0 HA ASP A 63 10.342 3.225 -12.259 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.934 0.261 -12.277 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.911 1.371 -13.218 1.00 0.00 H new ATOM 1012 N ARG A 64 8.335 1.893 -14.220 1.00 0.00 N ATOM 1013 CA ARG A 64 7.763 1.955 -15.562 1.00 0.00 C ATOM 1014 C ARG A 64 6.744 3.086 -15.651 1.00 0.00 C ATOM 1015 O ARG A 64 5.987 3.180 -16.618 1.00 0.00 O ATOM 1016 CB ARG A 64 7.089 0.636 -15.937 1.00 0.00 C ATOM 1017 CG ARG A 64 8.018 -0.562 -15.942 1.00 0.00 C ATOM 1018 CD ARG A 64 7.279 -1.817 -16.371 1.00 0.00 C ATOM 1019 NE ARG A 64 8.033 -3.033 -16.084 1.00 0.00 N ATOM 1020 CZ ARG A 64 8.438 -3.897 -17.011 1.00 0.00 C ATOM 1021 NH1 ARG A 64 8.225 -3.652 -18.298 1.00 0.00 N ATOM 1022 NH2 ARG A 64 9.070 -5.001 -16.645 1.00 0.00 N ATOM 0 H ARG A 64 7.684 1.586 -13.497 1.00 0.00 H new ATOM 0 HA ARG A 64 8.578 2.141 -16.261 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.275 0.446 -15.238 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.642 0.738 -16.926 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.853 -0.377 -16.618 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.439 -0.705 -14.947 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.317 -1.861 -15.861 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.071 -1.765 -17.440 1.00 0.00 H new ATOM 0 HE ARG A 64 8.264 -3.233 -15.111 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.748 -2.796 -18.582 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.539 -4.319 -19.003 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.244 -5.185 -15.657 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.383 -5.667 -17.351 1.00 0.00 H new ATOM 1036 N LEU A 65 6.723 3.933 -14.632 1.00 0.00 N ATOM 1037 CA LEU A 65 5.806 5.063 -14.598 1.00 0.00 C ATOM 1038 C LEU A 65 6.308 6.179 -15.502 1.00 0.00 C ATOM 1039 O LEU A 65 7.492 6.550 -15.387 1.00 0.00 O ATOM 1040 CB LEU A 65 5.630 5.577 -13.167 1.00 0.00 C ATOM 1041 CG LEU A 65 4.937 4.606 -12.208 1.00 0.00 C ATOM 1042 CD1 LEU A 65 4.796 5.227 -10.830 1.00 0.00 C ATOM 1043 CD2 LEU A 65 3.576 4.200 -12.752 1.00 0.00 C ATOM 1044 OXT LEU A 65 5.517 6.687 -16.322 1.00 0.00 O ATOM 0 H LEU A 65 7.331 3.859 -13.817 1.00 0.00 H new ATOM 0 HA LEU A 65 4.835 4.726 -14.963 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.612 5.823 -12.763 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.057 6.503 -13.198 1.00 0.00 H new ATOM 0 HG LEU A 65 5.553 3.711 -12.120 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.301 4.522 -10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.784 5.468 -10.437 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.202 6.138 -10.901 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.098 3.510 -12.057 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.952 5.086 -12.870 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.701 3.713 -13.719 1.00 0.00 H new TER 1056 LEU A 65