USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 504 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 27 HIS : no HE2:sc= -5.18! C(o=-9.1!,f=-8.9!) USER MOD Set 1.2: A 29 HIS : no HD1:sc= -3.55 K(o=-9.1,f=-13!) USER MOD Set 1.3: A 46 SER OG : rot 180:sc= -0.358! USER MOD Set 2.1: A 19 ASN : amide:sc= -0.71 X(o=-0.78,f=-1.1) USER MOD Set 2.2: A 20 HIS : no HD1:sc= -0.0806 X(o=-0.78,f=-0.7) USER MOD Set 2.3: A 61 TYR OH : rot 69:sc= 0.0129 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 22:sc= 0.166 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.0165) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -110:sc= -1.69 (180deg=-5.38!) USER MOD Single : A 15 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.014) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -0.03 (180deg=-0.244) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 19:sc= 1.43! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 41 GLN : amide:sc= -8.5! C(o=-8.5!,f=-14!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 150:sc= 1.27 USER MOD Single : A 58 LYS NZ :NH3+ -144:sc= 0.34 (180deg=-0.165) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.47 X(o=0.47,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -2.54! C(o=-2.5!,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.443 -15.443 -0.382 1.00 0.00 N ATOM 2 CA GLY A 1 -16.951 -14.160 0.084 1.00 0.00 C ATOM 3 C GLY A 1 -17.081 -13.073 -0.964 1.00 0.00 C ATOM 4 O GLY A 1 -18.188 -12.729 -1.378 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.332 -16.152 0.371 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.449 -15.359 -0.633 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.901 -15.739 -1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.502 -13.866 0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.905 -14.259 0.372 1.00 0.00 H new ATOM 8 N SER A 2 -15.946 -12.529 -1.394 1.00 0.00 N ATOM 9 CA SER A 2 -15.938 -11.471 -2.397 1.00 0.00 C ATOM 10 C SER A 2 -16.994 -11.728 -3.467 1.00 0.00 C ATOM 11 O SER A 2 -17.289 -12.875 -3.801 1.00 0.00 O ATOM 12 CB SER A 2 -14.556 -11.363 -3.044 1.00 0.00 C ATOM 13 OG SER A 2 -14.361 -12.387 -4.005 1.00 0.00 O ATOM 0 H SER A 2 -15.021 -12.804 -1.063 1.00 0.00 H new ATOM 0 HA SER A 2 -16.173 -10.531 -1.899 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.449 -10.388 -3.520 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.785 -11.429 -2.276 1.00 0.00 H new ATOM 0 HG SER A 2 -13.471 -12.295 -4.405 1.00 0.00 H new ATOM 19 N SER A 3 -17.561 -10.651 -4.001 1.00 0.00 N ATOM 20 CA SER A 3 -18.588 -10.758 -5.031 1.00 0.00 C ATOM 21 C SER A 3 -17.965 -10.740 -6.423 1.00 0.00 C ATOM 22 O SER A 3 -16.813 -10.343 -6.596 1.00 0.00 O ATOM 23 CB SER A 3 -19.597 -9.616 -4.897 1.00 0.00 C ATOM 24 OG SER A 3 -20.554 -9.896 -3.890 1.00 0.00 O ATOM 0 H SER A 3 -17.327 -9.694 -3.737 1.00 0.00 H new ATOM 0 HA SER A 3 -19.105 -11.708 -4.895 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.073 -8.690 -4.658 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.102 -9.460 -5.850 1.00 0.00 H new ATOM 0 HG SER A 3 -21.186 -9.150 -3.823 1.00 0.00 H new ATOM 30 N GLY A 4 -18.736 -11.175 -7.416 1.00 0.00 N ATOM 31 CA GLY A 4 -18.244 -11.201 -8.781 1.00 0.00 C ATOM 32 C GLY A 4 -17.982 -9.813 -9.330 1.00 0.00 C ATOM 33 O GLY A 4 -18.862 -9.200 -9.934 1.00 0.00 O ATOM 0 H GLY A 4 -19.692 -11.510 -7.299 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.324 -11.784 -8.821 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.970 -11.708 -9.416 1.00 0.00 H new ATOM 37 N SER A 5 -16.768 -9.313 -9.117 1.00 0.00 N ATOM 38 CA SER A 5 -16.394 -7.986 -9.590 1.00 0.00 C ATOM 39 C SER A 5 -14.912 -7.934 -9.948 1.00 0.00 C ATOM 40 O SER A 5 -14.090 -8.612 -9.332 1.00 0.00 O ATOM 41 CB SER A 5 -16.711 -6.934 -8.526 1.00 0.00 C ATOM 42 OG SER A 5 -18.071 -6.538 -8.588 1.00 0.00 O ATOM 0 H SER A 5 -16.027 -9.808 -8.620 1.00 0.00 H new ATOM 0 HA SER A 5 -16.974 -7.771 -10.487 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.491 -7.335 -7.537 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.069 -6.064 -8.668 1.00 0.00 H new ATOM 0 HG SER A 5 -18.595 -7.236 -9.035 1.00 0.00 H new ATOM 48 N SER A 6 -14.579 -7.124 -10.948 1.00 0.00 N ATOM 49 CA SER A 6 -13.197 -6.985 -11.391 1.00 0.00 C ATOM 50 C SER A 6 -12.637 -5.619 -11.007 1.00 0.00 C ATOM 51 O SER A 6 -13.297 -4.595 -11.179 1.00 0.00 O ATOM 52 CB SER A 6 -13.102 -7.180 -12.905 1.00 0.00 C ATOM 53 OG SER A 6 -13.912 -6.242 -13.592 1.00 0.00 O ATOM 0 H SER A 6 -15.247 -6.554 -11.467 1.00 0.00 H new ATOM 0 HA SER A 6 -12.604 -7.754 -10.895 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.065 -7.073 -13.224 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.412 -8.192 -13.165 1.00 0.00 H new ATOM 0 HG SER A 6 -13.832 -6.387 -14.558 1.00 0.00 H new ATOM 59 N GLY A 7 -11.415 -5.612 -10.485 1.00 0.00 N ATOM 60 CA GLY A 7 -10.786 -4.367 -10.084 1.00 0.00 C ATOM 61 C GLY A 7 -9.278 -4.403 -10.237 1.00 0.00 C ATOM 62 O GLY A 7 -8.757 -4.307 -11.348 1.00 0.00 O ATOM 0 H GLY A 7 -10.849 -6.447 -10.332 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.189 -3.550 -10.683 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.038 -4.155 -9.045 1.00 0.00 H new ATOM 66 N LYS A 8 -8.575 -4.540 -9.118 1.00 0.00 N ATOM 67 CA LYS A 8 -7.117 -4.587 -9.132 1.00 0.00 C ATOM 68 C LYS A 8 -6.622 -6.002 -9.413 1.00 0.00 C ATOM 69 O LYS A 8 -7.318 -6.989 -9.171 1.00 0.00 O ATOM 70 CB LYS A 8 -6.558 -4.097 -7.794 1.00 0.00 C ATOM 71 CG LYS A 8 -6.478 -2.584 -7.687 1.00 0.00 C ATOM 72 CD LYS A 8 -5.359 -2.023 -8.549 1.00 0.00 C ATOM 73 CE LYS A 8 -4.002 -2.200 -7.887 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.649 -1.037 -7.026 1.00 0.00 N ATOM 0 H LYS A 8 -8.991 -4.620 -8.190 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.764 -3.932 -9.929 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.184 -4.478 -6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.562 -4.516 -7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.428 -2.146 -7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.315 -2.300 -6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.360 -2.522 -9.518 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.538 -0.964 -8.736 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.007 -3.109 -7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.238 -2.329 -8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.915 -1.319 -6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.291 -0.262 -7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.494 -0.717 -6.512 1.00 0.00 H new ATOM 88 N PRO A 9 -5.391 -6.106 -9.936 1.00 0.00 N ATOM 89 CA PRO A 9 -4.775 -7.396 -10.259 1.00 0.00 C ATOM 90 C PRO A 9 -4.420 -8.198 -9.012 1.00 0.00 C ATOM 91 O PRO A 9 -4.379 -7.658 -7.907 1.00 0.00 O ATOM 92 CB PRO A 9 -3.507 -7.002 -11.021 1.00 0.00 C ATOM 93 CG PRO A 9 -3.185 -5.631 -10.537 1.00 0.00 C ATOM 94 CD PRO A 9 -4.506 -4.972 -10.250 1.00 0.00 C ATOM 0 HA PRO A 9 -5.448 -8.038 -10.827 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.691 -7.696 -10.817 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.673 -7.013 -12.098 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.565 -5.669 -9.641 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.626 -5.073 -11.288 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.434 -4.275 -9.415 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.868 -4.406 -11.108 1.00 0.00 H new ATOM 102 N GLU A 10 -4.163 -9.489 -9.197 1.00 0.00 N ATOM 103 CA GLU A 10 -3.811 -10.365 -8.086 1.00 0.00 C ATOM 104 C GLU A 10 -2.296 -10.485 -7.946 1.00 0.00 C ATOM 105 O GLU A 10 -1.755 -10.394 -6.844 1.00 0.00 O ATOM 106 CB GLU A 10 -4.428 -11.751 -8.284 1.00 0.00 C ATOM 107 CG GLU A 10 -4.214 -12.318 -9.678 1.00 0.00 C ATOM 108 CD GLU A 10 -4.767 -13.722 -9.827 1.00 0.00 C ATOM 109 OE1 GLU A 10 -4.330 -14.615 -9.072 1.00 0.00 O ATOM 110 OE2 GLU A 10 -5.637 -13.927 -10.699 1.00 0.00 O ATOM 0 H GLU A 10 -4.192 -9.951 -10.106 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.209 -9.926 -7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.002 -12.437 -7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.498 -11.695 -8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.690 -11.664 -10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.148 -12.326 -9.904 1.00 0.00 H new ATOM 117 N TRP A 11 -1.619 -10.691 -9.069 1.00 0.00 N ATOM 118 CA TRP A 11 -0.167 -10.824 -9.073 1.00 0.00 C ATOM 119 C TRP A 11 0.486 -9.693 -8.286 1.00 0.00 C ATOM 120 O TRP A 11 1.578 -9.852 -7.743 1.00 0.00 O ATOM 121 CB TRP A 11 0.362 -10.836 -10.508 1.00 0.00 C ATOM 122 CG TRP A 11 -0.053 -9.634 -11.303 1.00 0.00 C ATOM 123 CD1 TRP A 11 -1.244 -9.447 -11.944 1.00 0.00 C ATOM 124 CD2 TRP A 11 0.724 -8.456 -11.542 1.00 0.00 C ATOM 125 NE1 TRP A 11 -1.254 -8.223 -12.568 1.00 0.00 N ATOM 126 CE2 TRP A 11 -0.059 -7.595 -12.336 1.00 0.00 C ATOM 127 CE3 TRP A 11 2.004 -8.043 -11.162 1.00 0.00 C ATOM 128 CZ2 TRP A 11 0.398 -6.348 -12.755 1.00 0.00 C ATOM 129 CZ3 TRP A 11 2.456 -6.806 -11.579 1.00 0.00 C ATOM 130 CH2 TRP A 11 1.654 -5.970 -12.368 1.00 0.00 C ATOM 0 H TRP A 11 -2.052 -10.770 -9.989 1.00 0.00 H new ATOM 0 HA TRP A 11 0.087 -11.769 -8.593 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.450 -10.891 -10.486 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.008 -11.736 -11.011 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.058 -10.157 -11.958 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.026 -7.843 -13.115 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.629 -8.680 -10.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.218 -5.702 -13.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.444 -6.478 -11.292 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.036 -5.008 -12.677 1.00 0.00 H new ATOM 141 N MET A 12 -0.191 -8.550 -8.230 1.00 0.00 N ATOM 142 CA MET A 12 0.324 -7.392 -7.508 1.00 0.00 C ATOM 143 C MET A 12 0.267 -7.622 -6.002 1.00 0.00 C ATOM 144 O MET A 12 -0.812 -7.766 -5.427 1.00 0.00 O ATOM 145 CB MET A 12 -0.473 -6.139 -7.876 1.00 0.00 C ATOM 146 CG MET A 12 0.080 -5.400 -9.083 1.00 0.00 C ATOM 147 SD MET A 12 1.800 -4.902 -8.865 1.00 0.00 S ATOM 148 CE MET A 12 1.779 -3.275 -9.614 1.00 0.00 C ATOM 0 H MET A 12 -1.096 -8.401 -8.675 1.00 0.00 H new ATOM 0 HA MET A 12 1.365 -7.248 -7.796 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.507 -6.421 -8.075 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.487 -5.463 -7.021 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.001 -6.038 -9.963 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.529 -4.516 -9.273 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.775 -2.835 -9.557 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.479 -3.359 -10.658 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.071 -2.639 -9.083 1.00 0.00 H new ATOM 158 N MET A 13 1.435 -7.654 -5.368 1.00 0.00 N ATOM 159 CA MET A 13 1.516 -7.865 -3.927 1.00 0.00 C ATOM 160 C MET A 13 2.111 -6.644 -3.231 1.00 0.00 C ATOM 161 O MET A 13 2.656 -5.752 -3.882 1.00 0.00 O ATOM 162 CB MET A 13 2.359 -9.104 -3.618 1.00 0.00 C ATOM 163 CG MET A 13 2.072 -10.278 -4.539 1.00 0.00 C ATOM 164 SD MET A 13 3.513 -11.334 -4.787 1.00 0.00 S ATOM 165 CE MET A 13 4.622 -10.203 -5.622 1.00 0.00 C ATOM 0 H MET A 13 2.337 -7.537 -5.829 1.00 0.00 H new ATOM 0 HA MET A 13 0.505 -8.019 -3.550 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.415 -8.843 -3.693 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.178 -9.409 -2.587 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.259 -10.872 -4.122 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.731 -9.903 -5.504 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.737 -10.508 -6.662 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.210 -9.195 -5.583 1.00 0.00 H new ATOM 0 HE3 MET A 13 5.594 -10.217 -5.130 1.00 0.00 H new ATOM 175 N ILE A 14 2.003 -6.612 -1.907 1.00 0.00 N ATOM 176 CA ILE A 14 2.531 -5.501 -1.125 1.00 0.00 C ATOM 177 C ILE A 14 3.663 -5.961 -0.212 1.00 0.00 C ATOM 178 O ILE A 14 3.424 -6.438 0.898 1.00 0.00 O ATOM 179 CB ILE A 14 1.433 -4.842 -0.271 1.00 0.00 C ATOM 180 CG1 ILE A 14 0.337 -4.264 -1.168 1.00 0.00 C ATOM 181 CG2 ILE A 14 2.029 -3.756 0.613 1.00 0.00 C ATOM 182 CD1 ILE A 14 -0.688 -3.443 -0.417 1.00 0.00 C ATOM 0 H ILE A 14 1.555 -7.342 -1.354 1.00 0.00 H new ATOM 0 HA ILE A 14 2.915 -4.769 -1.835 1.00 0.00 H new ATOM 0 HB ILE A 14 0.988 -5.602 0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.797 -3.642 -1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.169 -5.081 -1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.240 -3.300 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.777 -4.194 1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.497 -2.995 -0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.434 -3.065 -1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.176 -4.067 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.194 -2.605 0.074 1.00 0.00 H new ATOM 194 N HIS A 15 4.896 -5.814 -0.686 1.00 0.00 N ATOM 195 CA HIS A 15 6.065 -6.212 0.089 1.00 0.00 C ATOM 196 C HIS A 15 5.924 -5.781 1.546 1.00 0.00 C ATOM 197 O HIS A 15 5.825 -6.617 2.444 1.00 0.00 O ATOM 198 CB HIS A 15 7.333 -5.606 -0.514 1.00 0.00 C ATOM 199 CG HIS A 15 8.593 -6.270 -0.050 1.00 0.00 C ATOM 200 ND1 HIS A 15 9.539 -6.778 -0.916 1.00 0.00 N ATOM 201 CD2 HIS A 15 9.062 -6.507 1.197 1.00 0.00 C ATOM 202 CE1 HIS A 15 10.534 -7.299 -0.221 1.00 0.00 C ATOM 203 NE2 HIS A 15 10.269 -7.147 1.064 1.00 0.00 N ATOM 0 H HIS A 15 5.111 -5.422 -1.603 1.00 0.00 H new ATOM 0 HA HIS A 15 6.139 -7.299 0.056 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.276 -5.672 -1.601 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.376 -4.547 -0.261 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.577 -6.242 2.125 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.414 -7.769 -0.633 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.865 -7.455 1.833 1.00 0.00 H new ATOM 212 N ARG A 16 5.917 -4.472 1.772 1.00 0.00 N ATOM 213 CA ARG A 16 5.790 -3.930 3.120 1.00 0.00 C ATOM 214 C ARG A 16 5.523 -2.428 3.079 1.00 0.00 C ATOM 215 O ARG A 16 5.911 -1.744 2.131 1.00 0.00 O ATOM 216 CB ARG A 16 7.058 -4.212 3.927 1.00 0.00 C ATOM 217 CG ARG A 16 8.299 -3.537 3.367 1.00 0.00 C ATOM 218 CD ARG A 16 8.558 -2.198 4.041 1.00 0.00 C ATOM 219 NE ARG A 16 9.947 -1.773 3.899 1.00 0.00 N ATOM 220 CZ ARG A 16 10.939 -2.238 4.651 1.00 0.00 C ATOM 221 NH1 ARG A 16 10.694 -3.138 5.594 1.00 0.00 N ATOM 222 NH2 ARG A 16 12.178 -1.802 4.462 1.00 0.00 N ATOM 0 H ARG A 16 5.998 -3.767 1.040 1.00 0.00 H new ATOM 0 HA ARG A 16 4.944 -4.419 3.603 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.906 -3.880 4.954 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.225 -5.289 3.962 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.162 -4.188 3.505 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.181 -3.388 2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.902 -1.442 3.609 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.308 -2.271 5.099 1.00 0.00 H new ATOM 0 HE ARG A 16 10.168 -1.081 3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.743 -3.474 5.743 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.457 -3.494 6.170 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.370 -1.109 3.739 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.938 -2.160 5.040 1.00 0.00 H new ATOM 236 N ILE A 17 4.859 -1.922 4.113 1.00 0.00 N ATOM 237 CA ILE A 17 4.542 -0.502 4.196 1.00 0.00 C ATOM 238 C ILE A 17 5.789 0.324 4.494 1.00 0.00 C ATOM 239 O ILE A 17 6.243 0.392 5.637 1.00 0.00 O ATOM 240 CB ILE A 17 3.484 -0.224 5.280 1.00 0.00 C ATOM 241 CG1 ILE A 17 2.105 -0.690 4.809 1.00 0.00 C ATOM 242 CG2 ILE A 17 3.459 1.257 5.627 1.00 0.00 C ATOM 243 CD1 ILE A 17 1.089 -0.796 5.925 1.00 0.00 C ATOM 0 H ILE A 17 4.530 -2.475 4.905 1.00 0.00 H new ATOM 0 HA ILE A 17 4.141 -0.211 3.225 1.00 0.00 H new ATOM 0 HB ILE A 17 3.748 -0.783 6.177 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.734 0.004 4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.204 -1.662 4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.706 1.438 6.394 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.438 1.560 6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.215 1.835 4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.135 -1.131 5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.438 -1.513 6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.960 0.180 6.394 1.00 0.00 H new ATOM 255 N LEU A 18 6.337 0.951 3.459 1.00 0.00 N ATOM 256 CA LEU A 18 7.532 1.775 3.610 1.00 0.00 C ATOM 257 C LEU A 18 7.282 2.923 4.583 1.00 0.00 C ATOM 258 O LEU A 18 8.065 3.151 5.504 1.00 0.00 O ATOM 259 CB LEU A 18 7.969 2.327 2.252 1.00 0.00 C ATOM 260 CG LEU A 18 7.917 1.346 1.080 1.00 0.00 C ATOM 261 CD1 LEU A 18 8.440 2.002 -0.188 1.00 0.00 C ATOM 262 CD2 LEU A 18 8.712 0.089 1.401 1.00 0.00 C ATOM 0 H LEU A 18 5.974 0.905 2.507 1.00 0.00 H new ATOM 0 HA LEU A 18 8.328 1.149 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.339 3.184 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.990 2.698 2.344 1.00 0.00 H new ATOM 0 HG LEU A 18 6.878 1.061 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.396 1.289 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.828 2.871 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.472 2.316 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.664 -0.598 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.751 0.355 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.291 -0.392 2.284 1.00 0.00 H new ATOM 274 N ASN A 19 6.185 3.643 4.371 1.00 0.00 N ATOM 275 CA ASN A 19 5.830 4.767 5.230 1.00 0.00 C ATOM 276 C ASN A 19 4.396 5.219 4.971 1.00 0.00 C ATOM 277 O ASN A 19 3.682 4.623 4.163 1.00 0.00 O ATOM 278 CB ASN A 19 6.793 5.933 5.002 1.00 0.00 C ATOM 279 CG ASN A 19 6.978 6.783 6.244 1.00 0.00 C ATOM 280 OD1 ASN A 19 7.215 6.264 7.335 1.00 0.00 O ATOM 281 ND2 ASN A 19 6.868 8.097 6.084 1.00 0.00 N ATOM 0 H ASN A 19 5.527 3.468 3.612 1.00 0.00 H new ATOM 0 HA ASN A 19 5.906 4.438 6.266 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.760 5.544 4.684 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.418 6.557 4.191 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.981 8.719 6.884 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.671 8.484 5.161 1.00 0.00 H new ATOM 288 N HIS A 20 3.981 6.276 5.662 1.00 0.00 N ATOM 289 CA HIS A 20 2.632 6.809 5.506 1.00 0.00 C ATOM 290 C HIS A 20 2.654 8.333 5.449 1.00 0.00 C ATOM 291 O HIS A 20 3.612 8.967 5.891 1.00 0.00 O ATOM 292 CB HIS A 20 1.740 6.342 6.656 1.00 0.00 C ATOM 293 CG HIS A 20 1.880 7.170 7.897 1.00 0.00 C ATOM 294 ND1 HIS A 20 2.835 6.925 8.861 1.00 0.00 N ATOM 295 CD2 HIS A 20 1.181 8.245 8.327 1.00 0.00 C ATOM 296 CE1 HIS A 20 2.716 7.813 9.831 1.00 0.00 C ATOM 297 NE2 HIS A 20 1.719 8.626 9.532 1.00 0.00 N ATOM 0 H HIS A 20 4.559 6.780 6.335 1.00 0.00 H new ATOM 0 HA HIS A 20 2.226 6.434 4.567 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.700 6.363 6.330 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.979 5.305 6.892 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.354 8.716 7.818 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.330 7.866 10.718 1.00 0.00 H new ATOM 0 HE2 HIS A 20 1.401 9.409 10.103 1.00 0.00 H new ATOM 306 N SER A 21 1.591 8.916 4.902 1.00 0.00 N ATOM 307 CA SER A 21 1.490 10.365 4.784 1.00 0.00 C ATOM 308 C SER A 21 0.041 10.794 4.580 1.00 0.00 C ATOM 309 O SER A 21 -0.683 10.214 3.771 1.00 0.00 O ATOM 310 CB SER A 21 2.350 10.865 3.621 1.00 0.00 C ATOM 311 OG SER A 21 2.194 12.260 3.434 1.00 0.00 O ATOM 0 H SER A 21 0.788 8.406 4.534 1.00 0.00 H new ATOM 0 HA SER A 21 1.854 10.806 5.712 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.398 10.636 3.815 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.073 10.339 2.707 1.00 0.00 H new ATOM 0 HG SER A 21 2.755 12.555 2.686 1.00 0.00 H new ATOM 317 N VAL A 22 -0.378 11.816 5.322 1.00 0.00 N ATOM 318 CA VAL A 22 -1.741 12.324 5.223 1.00 0.00 C ATOM 319 C VAL A 22 -1.777 13.659 4.487 1.00 0.00 C ATOM 320 O VAL A 22 -1.233 14.656 4.961 1.00 0.00 O ATOM 321 CB VAL A 22 -2.376 12.501 6.614 1.00 0.00 C ATOM 322 CG1 VAL A 22 -3.850 12.857 6.488 1.00 0.00 C ATOM 323 CG2 VAL A 22 -2.193 11.241 7.447 1.00 0.00 C ATOM 0 H VAL A 22 0.207 12.307 5.998 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.314 11.586 4.661 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.871 13.322 7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.281 12.978 7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.953 13.789 5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.373 12.060 5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.648 11.384 8.427 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.671 10.400 6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.129 11.035 7.567 1.00 0.00 H new ATOM 333 N ASP A 23 -2.421 13.670 3.325 1.00 0.00 N ATOM 334 CA ASP A 23 -2.530 14.883 2.523 1.00 0.00 C ATOM 335 C ASP A 23 -3.401 15.921 3.223 1.00 0.00 C ATOM 336 O ASP A 23 -3.917 15.680 4.315 1.00 0.00 O ATOM 337 CB ASP A 23 -3.111 14.558 1.145 1.00 0.00 C ATOM 338 CG ASP A 23 -2.786 15.622 0.115 1.00 0.00 C ATOM 339 OD1 ASP A 23 -1.788 16.348 0.306 1.00 0.00 O ATOM 340 OD2 ASP A 23 -3.531 15.729 -0.882 1.00 0.00 O ATOM 0 H ASP A 23 -2.875 12.853 2.918 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.530 15.298 2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.721 13.598 0.807 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.193 14.453 1.226 1.00 0.00 H new ATOM 345 N LYS A 24 -3.558 17.079 2.590 1.00 0.00 N ATOM 346 CA LYS A 24 -4.365 18.155 3.151 1.00 0.00 C ATOM 347 C LYS A 24 -5.813 17.711 3.335 1.00 0.00 C ATOM 348 O LYS A 24 -6.412 17.931 4.388 1.00 0.00 O ATOM 349 CB LYS A 24 -4.310 19.387 2.245 1.00 0.00 C ATOM 350 CG LYS A 24 -5.099 20.571 2.779 1.00 0.00 C ATOM 351 CD LYS A 24 -4.337 21.302 3.871 1.00 0.00 C ATOM 352 CE LYS A 24 -3.260 22.205 3.290 1.00 0.00 C ATOM 353 NZ LYS A 24 -3.843 23.378 2.581 1.00 0.00 N ATOM 0 H LYS A 24 -3.136 17.296 1.687 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.955 18.411 4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.270 19.684 2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.693 19.121 1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.319 21.260 1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.056 20.225 3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.031 21.897 4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.881 20.577 4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.607 22.552 4.090 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.641 21.633 2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.115 24.112 2.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.185 23.083 1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.636 23.759 3.135 1.00 0.00 H new ATOM 367 N LYS A 25 -6.369 17.082 2.305 1.00 0.00 N ATOM 368 CA LYS A 25 -7.746 16.604 2.354 1.00 0.00 C ATOM 369 C LYS A 25 -8.012 15.843 3.649 1.00 0.00 C ATOM 370 O LYS A 25 -9.046 16.030 4.288 1.00 0.00 O ATOM 371 CB LYS A 25 -8.036 15.702 1.152 1.00 0.00 C ATOM 372 CG LYS A 25 -8.550 16.456 -0.063 1.00 0.00 C ATOM 373 CD LYS A 25 -9.946 17.008 0.172 1.00 0.00 C ATOM 374 CE LYS A 25 -10.477 17.724 -1.061 1.00 0.00 C ATOM 375 NZ LYS A 25 -11.881 18.182 -0.874 1.00 0.00 N ATOM 0 H LYS A 25 -5.887 16.891 1.426 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.407 17.470 2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.125 15.169 0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.771 14.951 1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.869 17.274 -0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.561 15.791 -0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.620 16.194 0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.928 17.698 1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.842 18.581 -1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.424 17.055 -1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.206 18.665 -1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.492 17.362 -0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.927 18.840 -0.070 1.00 0.00 H new ATOM 389 N GLY A 26 -7.070 14.985 4.031 1.00 0.00 N ATOM 390 CA GLY A 26 -7.222 14.210 5.248 1.00 0.00 C ATOM 391 C GLY A 26 -7.068 12.721 5.011 1.00 0.00 C ATOM 392 O GLY A 26 -6.767 11.966 5.936 1.00 0.00 O ATOM 0 H GLY A 26 -6.205 14.813 3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.481 14.537 5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.203 14.406 5.680 1.00 0.00 H new ATOM 396 N HIS A 27 -7.275 12.297 3.769 1.00 0.00 N ATOM 397 CA HIS A 27 -7.158 10.887 3.413 1.00 0.00 C ATOM 398 C HIS A 27 -5.726 10.396 3.603 1.00 0.00 C ATOM 399 O HIS A 27 -4.820 10.795 2.871 1.00 0.00 O ATOM 400 CB HIS A 27 -7.598 10.666 1.965 1.00 0.00 C ATOM 401 CG HIS A 27 -7.060 11.690 1.013 1.00 0.00 C ATOM 402 ND1 HIS A 27 -7.450 11.768 -0.307 1.00 0.00 N ATOM 403 CD2 HIS A 27 -6.157 12.681 1.197 1.00 0.00 C ATOM 404 CE1 HIS A 27 -6.810 12.763 -0.894 1.00 0.00 C ATOM 405 NE2 HIS A 27 -6.019 13.334 -0.004 1.00 0.00 N ATOM 0 H HIS A 27 -7.525 12.909 2.992 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.810 10.316 4.074 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.274 9.676 1.642 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.687 10.676 1.919 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -8.127 11.153 -0.759 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.641 12.915 2.116 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.916 13.060 -1.927 1.00 0.00 H new ATOM 414 N VAL A 28 -5.528 9.528 4.590 1.00 0.00 N ATOM 415 CA VAL A 28 -4.207 8.982 4.876 1.00 0.00 C ATOM 416 C VAL A 28 -3.686 8.161 3.702 1.00 0.00 C ATOM 417 O VAL A 28 -4.444 7.449 3.043 1.00 0.00 O ATOM 418 CB VAL A 28 -4.225 8.100 6.138 1.00 0.00 C ATOM 419 CG1 VAL A 28 -2.866 7.452 6.356 1.00 0.00 C ATOM 420 CG2 VAL A 28 -4.637 8.917 7.353 1.00 0.00 C ATOM 0 H VAL A 28 -6.267 9.188 5.206 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.544 9.830 5.045 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.960 7.307 5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.898 6.833 7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.616 6.832 5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.109 8.227 6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.644 8.278 8.236 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.928 9.732 7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.634 9.328 7.194 1.00 0.00 H new ATOM 430 N HIS A 29 -2.386 8.265 3.445 1.00 0.00 N ATOM 431 CA HIS A 29 -1.762 7.530 2.350 1.00 0.00 C ATOM 432 C HIS A 29 -0.664 6.607 2.871 1.00 0.00 C ATOM 433 O HIS A 29 -0.024 6.897 3.882 1.00 0.00 O ATOM 434 CB HIS A 29 -1.182 8.502 1.321 1.00 0.00 C ATOM 435 CG HIS A 29 -2.224 9.285 0.583 1.00 0.00 C ATOM 436 ND1 HIS A 29 -3.574 9.170 0.840 1.00 0.00 N ATOM 437 CD2 HIS A 29 -2.107 10.199 -0.408 1.00 0.00 C ATOM 438 CE1 HIS A 29 -4.243 9.978 0.037 1.00 0.00 C ATOM 439 NE2 HIS A 29 -3.376 10.615 -0.730 1.00 0.00 N ATOM 0 H HIS A 29 -1.744 8.851 3.980 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.528 6.920 1.871 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.509 9.195 1.827 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.583 7.943 0.602 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.187 10.538 -0.861 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.316 10.098 0.012 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.611 11.304 -1.445 1.00 0.00 H new ATOM 448 N TYR A 30 -0.453 5.496 2.175 1.00 0.00 N ATOM 449 CA TYR A 30 0.565 4.529 2.569 1.00 0.00 C ATOM 450 C TYR A 30 1.499 4.216 1.403 1.00 0.00 C ATOM 451 O TYR A 30 1.059 3.775 0.341 1.00 0.00 O ATOM 452 CB TYR A 30 -0.091 3.242 3.071 1.00 0.00 C ATOM 453 CG TYR A 30 -0.989 3.449 4.270 1.00 0.00 C ATOM 454 CD1 TYR A 30 -0.462 3.520 5.553 1.00 0.00 C ATOM 455 CD2 TYR A 30 -2.365 3.572 4.120 1.00 0.00 C ATOM 456 CE1 TYR A 30 -1.278 3.708 6.652 1.00 0.00 C ATOM 457 CE2 TYR A 30 -3.189 3.761 5.212 1.00 0.00 C ATOM 458 CZ TYR A 30 -2.641 3.828 6.476 1.00 0.00 C ATOM 459 OH TYR A 30 -3.458 4.015 7.567 1.00 0.00 O ATOM 0 H TYR A 30 -0.973 5.242 1.335 1.00 0.00 H new ATOM 0 HA TYR A 30 1.153 4.967 3.375 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.674 2.802 2.262 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.687 2.524 3.330 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.605 3.427 5.694 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.798 3.519 3.132 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.851 3.761 7.643 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.256 3.856 5.077 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.925 4.337 8.323 1.00 0.00 H new ATOM 469 N LEU A 31 2.790 4.446 1.611 1.00 0.00 N ATOM 470 CA LEU A 31 3.789 4.188 0.579 1.00 0.00 C ATOM 471 C LEU A 31 3.945 2.691 0.335 1.00 0.00 C ATOM 472 O LEU A 31 4.772 2.032 0.967 1.00 0.00 O ATOM 473 CB LEU A 31 5.135 4.794 0.981 1.00 0.00 C ATOM 474 CG LEU A 31 6.294 4.555 0.013 1.00 0.00 C ATOM 475 CD1 LEU A 31 5.855 4.811 -1.420 1.00 0.00 C ATOM 476 CD2 LEU A 31 7.481 5.437 0.375 1.00 0.00 C ATOM 0 H LEU A 31 3.170 4.811 2.484 1.00 0.00 H new ATOM 0 HA LEU A 31 3.449 4.655 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.005 5.869 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.414 4.395 1.956 1.00 0.00 H new ATOM 0 HG LEU A 31 6.602 3.513 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.693 4.636 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.037 4.138 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.520 5.843 -1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.297 5.254 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.185 6.485 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.812 5.205 1.387 1.00 0.00 H new ATOM 488 N ILE A 32 3.148 2.160 -0.587 1.00 0.00 N ATOM 489 CA ILE A 32 3.201 0.742 -0.917 1.00 0.00 C ATOM 490 C ILE A 32 4.390 0.431 -1.820 1.00 0.00 C ATOM 491 O ILE A 32 4.645 1.138 -2.795 1.00 0.00 O ATOM 492 CB ILE A 32 1.907 0.277 -1.612 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.698 0.532 -0.709 1.00 0.00 C ATOM 494 CG2 ILE A 32 2.002 -1.197 -1.975 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.628 0.259 -1.385 1.00 0.00 C ATOM 0 H ILE A 32 2.458 2.691 -1.118 1.00 0.00 H new ATOM 0 HA ILE A 32 3.312 0.203 0.024 1.00 0.00 H new ATOM 0 HB ILE A 32 1.778 0.850 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.780 -0.094 0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.718 1.568 -0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.081 -1.511 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.843 -1.352 -2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.150 -1.786 -1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.441 0.461 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.731 0.904 -2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.669 -0.784 -1.698 1.00 0.00 H new ATOM 507 N LYS A 33 5.114 -0.633 -1.490 1.00 0.00 N ATOM 508 CA LYS A 33 6.275 -1.041 -2.272 1.00 0.00 C ATOM 509 C LYS A 33 5.997 -2.340 -3.021 1.00 0.00 C ATOM 510 O LYS A 33 6.155 -3.431 -2.472 1.00 0.00 O ATOM 511 CB LYS A 33 7.493 -1.216 -1.362 1.00 0.00 C ATOM 512 CG LYS A 33 8.728 -1.720 -2.089 1.00 0.00 C ATOM 513 CD LYS A 33 9.613 -2.551 -1.175 1.00 0.00 C ATOM 514 CE LYS A 33 11.052 -2.578 -1.666 1.00 0.00 C ATOM 515 NZ LYS A 33 11.273 -3.650 -2.675 1.00 0.00 N ATOM 0 H LYS A 33 4.917 -1.229 -0.686 1.00 0.00 H new ATOM 0 HA LYS A 33 6.483 -0.258 -3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.724 -0.261 -0.890 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.242 -1.914 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.426 -2.319 -2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.295 -0.873 -2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.580 -2.143 -0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.227 -3.569 -1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.305 -1.611 -2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.722 -2.732 -0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.266 -3.636 -2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.056 -4.575 -2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.652 -3.489 -3.494 1.00 0.00 H new ATOM 529 N TRP A 34 5.583 -2.216 -4.277 1.00 0.00 N ATOM 530 CA TRP A 34 5.284 -3.381 -5.102 1.00 0.00 C ATOM 531 C TRP A 34 6.428 -4.388 -5.056 1.00 0.00 C ATOM 532 O TRP A 34 7.508 -4.140 -5.593 1.00 0.00 O ATOM 533 CB TRP A 34 5.022 -2.955 -6.547 1.00 0.00 C ATOM 534 CG TRP A 34 3.974 -1.890 -6.671 1.00 0.00 C ATOM 535 CD1 TRP A 34 4.134 -0.641 -7.200 1.00 0.00 C ATOM 536 CD2 TRP A 34 2.607 -1.981 -6.257 1.00 0.00 C ATOM 537 NE1 TRP A 34 2.948 0.051 -7.139 1.00 0.00 N ATOM 538 CE2 TRP A 34 1.996 -0.750 -6.565 1.00 0.00 C ATOM 539 CE3 TRP A 34 1.839 -2.982 -5.658 1.00 0.00 C ATOM 540 CZ2 TRP A 34 0.654 -0.496 -6.293 1.00 0.00 C ATOM 541 CZ3 TRP A 34 0.507 -2.729 -5.387 1.00 0.00 C ATOM 542 CH2 TRP A 34 -0.074 -1.494 -5.705 1.00 0.00 C ATOM 0 H TRP A 34 5.447 -1.321 -4.746 1.00 0.00 H new ATOM 0 HA TRP A 34 4.388 -3.857 -4.703 1.00 0.00 H new ATOM 0 HB2 TRP A 34 5.952 -2.593 -6.986 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.715 -3.826 -7.125 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.057 -0.254 -7.606 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.801 1.005 -7.468 1.00 0.00 H new ATOM 0 HE3 TRP A 34 2.278 -3.937 -5.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 0.204 0.455 -6.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.096 -3.496 -4.923 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -1.117 -1.327 -5.481 1.00 0.00 H new ATOM 553 N ARG A 35 6.185 -5.525 -4.413 1.00 0.00 N ATOM 554 CA ARG A 35 7.196 -6.569 -4.296 1.00 0.00 C ATOM 555 C ARG A 35 7.997 -6.696 -5.588 1.00 0.00 C ATOM 556 O ARG A 35 9.227 -6.631 -5.577 1.00 0.00 O ATOM 557 CB ARG A 35 6.539 -7.909 -3.958 1.00 0.00 C ATOM 558 CG ARG A 35 6.107 -8.026 -2.505 1.00 0.00 C ATOM 559 CD ARG A 35 5.847 -9.472 -2.116 1.00 0.00 C ATOM 560 NE ARG A 35 5.219 -9.581 -0.802 1.00 0.00 N ATOM 561 CZ ARG A 35 5.098 -10.725 -0.138 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.559 -11.852 -0.662 1.00 0.00 N ATOM 563 NH2 ARG A 35 4.514 -10.743 1.054 1.00 0.00 N ATOM 0 H ARG A 35 5.296 -5.747 -3.965 1.00 0.00 H new ATOM 0 HA ARG A 35 7.877 -6.292 -3.491 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.669 -8.050 -4.599 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.237 -8.714 -4.187 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.880 -7.608 -1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.204 -7.437 -2.344 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.206 -9.939 -2.864 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.788 -10.022 -2.115 1.00 0.00 H new ATOM 0 HE ARG A 35 4.853 -8.732 -0.371 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.008 -11.842 -1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.465 -12.729 -0.149 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.158 -9.878 1.461 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.421 -11.622 1.563 1.00 0.00 H new ATOM 577 N ASP A 36 7.293 -6.877 -6.700 1.00 0.00 N ATOM 578 CA ASP A 36 7.939 -7.013 -8.001 1.00 0.00 C ATOM 579 C ASP A 36 8.899 -5.855 -8.254 1.00 0.00 C ATOM 580 O ASP A 36 10.076 -6.063 -8.550 1.00 0.00 O ATOM 581 CB ASP A 36 6.889 -7.073 -9.111 1.00 0.00 C ATOM 582 CG ASP A 36 7.491 -7.422 -10.458 1.00 0.00 C ATOM 583 OD1 ASP A 36 7.955 -8.570 -10.622 1.00 0.00 O ATOM 584 OD2 ASP A 36 7.497 -6.547 -11.349 1.00 0.00 O ATOM 0 H ASP A 36 6.275 -6.933 -6.727 1.00 0.00 H new ATOM 0 HA ASP A 36 8.510 -7.941 -8.001 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.132 -7.813 -8.852 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.383 -6.110 -9.181 1.00 0.00 H new ATOM 589 N LEU A 37 8.389 -4.634 -8.136 1.00 0.00 N ATOM 590 CA LEU A 37 9.201 -3.441 -8.353 1.00 0.00 C ATOM 591 C LEU A 37 10.127 -3.190 -7.167 1.00 0.00 C ATOM 592 O LEU A 37 9.840 -3.571 -6.032 1.00 0.00 O ATOM 593 CB LEU A 37 8.303 -2.224 -8.581 1.00 0.00 C ATOM 594 CG LEU A 37 7.312 -2.328 -9.741 1.00 0.00 C ATOM 595 CD1 LEU A 37 6.383 -1.124 -9.759 1.00 0.00 C ATOM 596 CD2 LEU A 37 8.052 -2.453 -11.064 1.00 0.00 C ATOM 0 H LEU A 37 7.417 -4.444 -7.891 1.00 0.00 H new ATOM 0 HA LEU A 37 9.813 -3.604 -9.240 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.742 -2.035 -7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.939 -1.355 -8.750 1.00 0.00 H new ATOM 0 HG LEU A 37 6.708 -3.224 -9.599 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.685 -1.215 -10.591 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.827 -1.079 -8.822 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.970 -0.213 -9.876 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.331 -2.526 -11.879 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.681 -1.575 -11.213 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.675 -3.347 -11.049 1.00 0.00 H new ATOM 608 N PRO A 38 11.265 -2.531 -7.433 1.00 0.00 N ATOM 609 CA PRO A 38 12.255 -2.211 -6.401 1.00 0.00 C ATOM 610 C PRO A 38 11.754 -1.151 -5.426 1.00 0.00 C ATOM 611 O PRO A 38 10.571 -0.808 -5.420 1.00 0.00 O ATOM 612 CB PRO A 38 13.445 -1.680 -7.203 1.00 0.00 C ATOM 613 CG PRO A 38 12.849 -1.161 -8.466 1.00 0.00 C ATOM 614 CD PRO A 38 11.671 -2.047 -8.763 1.00 0.00 C ATOM 0 HA PRO A 38 12.493 -3.076 -5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.969 -0.893 -6.660 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.171 -2.468 -7.402 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.537 -0.123 -8.353 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.574 -1.189 -9.280 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.868 -1.497 -9.253 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.943 -2.870 -9.424 1.00 0.00 H new ATOM 622 N TYR A 39 12.660 -0.634 -4.604 1.00 0.00 N ATOM 623 CA TYR A 39 12.309 0.386 -3.623 1.00 0.00 C ATOM 624 C TYR A 39 12.249 1.766 -4.271 1.00 0.00 C ATOM 625 O TYR A 39 11.382 2.579 -3.947 1.00 0.00 O ATOM 626 CB TYR A 39 13.323 0.392 -2.478 1.00 0.00 C ATOM 627 CG TYR A 39 12.732 0.805 -1.149 1.00 0.00 C ATOM 628 CD1 TYR A 39 12.147 2.054 -0.984 1.00 0.00 C ATOM 629 CD2 TYR A 39 12.758 -0.055 -0.058 1.00 0.00 C ATOM 630 CE1 TYR A 39 11.607 2.435 0.229 1.00 0.00 C ATOM 631 CE2 TYR A 39 12.219 0.317 1.159 1.00 0.00 C ATOM 632 CZ TYR A 39 11.645 1.563 1.297 1.00 0.00 C ATOM 633 OH TYR A 39 11.107 1.939 2.507 1.00 0.00 O ATOM 0 H TYR A 39 13.643 -0.905 -4.597 1.00 0.00 H new ATOM 0 HA TYR A 39 11.323 0.148 -3.225 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.754 -0.604 -2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.139 1.070 -2.730 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.114 2.739 -1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.207 -1.031 -0.163 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.157 3.411 0.341 1.00 0.00 H new ATOM 0 HE2 TYR A 39 12.247 -0.364 1.997 1.00 0.00 H new ATOM 0 HH TYR A 39 11.214 1.210 3.153 1.00 0.00 H new ATOM 643 N ASP A 40 13.174 2.023 -5.188 1.00 0.00 N ATOM 644 CA ASP A 40 13.227 3.303 -5.884 1.00 0.00 C ATOM 645 C ASP A 40 12.074 3.431 -6.875 1.00 0.00 C ATOM 646 O ASP A 40 11.874 4.486 -7.476 1.00 0.00 O ATOM 647 CB ASP A 40 14.562 3.458 -6.614 1.00 0.00 C ATOM 648 CG ASP A 40 14.891 4.905 -6.920 1.00 0.00 C ATOM 649 OD1 ASP A 40 14.068 5.572 -7.582 1.00 0.00 O ATOM 650 OD2 ASP A 40 15.970 5.371 -6.499 1.00 0.00 O ATOM 0 H ASP A 40 13.898 1.361 -5.467 1.00 0.00 H new ATOM 0 HA ASP A 40 13.135 4.095 -5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.358 3.029 -6.005 1.00 0.00 H new ATOM 0 HB3 ASP A 40 14.532 2.891 -7.544 1.00 0.00 H new ATOM 655 N GLN A 41 11.320 2.348 -7.041 1.00 0.00 N ATOM 656 CA GLN A 41 10.189 2.339 -7.960 1.00 0.00 C ATOM 657 C GLN A 41 8.868 2.355 -7.198 1.00 0.00 C ATOM 658 O GLN A 41 7.796 2.434 -7.797 1.00 0.00 O ATOM 659 CB GLN A 41 10.253 1.110 -8.869 1.00 0.00 C ATOM 660 CG GLN A 41 11.215 1.265 -10.036 1.00 0.00 C ATOM 661 CD GLN A 41 11.180 0.081 -10.982 1.00 0.00 C ATOM 662 OE1 GLN A 41 12.089 -0.749 -10.988 1.00 0.00 O ATOM 663 NE2 GLN A 41 10.128 -0.002 -11.788 1.00 0.00 N ATOM 0 H GLN A 41 11.473 1.467 -6.551 1.00 0.00 H new ATOM 0 HA GLN A 41 10.244 3.239 -8.573 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.551 0.245 -8.276 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.255 0.903 -9.256 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.969 2.173 -10.587 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.228 1.389 -9.653 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.398 0.709 -11.748 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.050 -0.777 -12.447 1.00 0.00 H new ATOM 672 N ALA A 42 8.953 2.280 -5.874 1.00 0.00 N ATOM 673 CA ALA A 42 7.764 2.287 -5.031 1.00 0.00 C ATOM 674 C ALA A 42 6.842 3.446 -5.391 1.00 0.00 C ATOM 675 O ALA A 42 7.298 4.499 -5.838 1.00 0.00 O ATOM 676 CB ALA A 42 8.159 2.361 -3.563 1.00 0.00 C ATOM 0 H ALA A 42 9.833 2.214 -5.362 1.00 0.00 H new ATOM 0 HA ALA A 42 7.221 1.358 -5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.261 2.366 -2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.772 1.497 -3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.727 3.274 -3.385 1.00 0.00 H new ATOM 682 N SER A 43 5.543 3.246 -5.196 1.00 0.00 N ATOM 683 CA SER A 43 4.556 4.273 -5.506 1.00 0.00 C ATOM 684 C SER A 43 3.636 4.519 -4.314 1.00 0.00 C ATOM 685 O SER A 43 3.240 3.584 -3.618 1.00 0.00 O ATOM 686 CB SER A 43 3.729 3.865 -6.727 1.00 0.00 C ATOM 687 OG SER A 43 3.238 5.004 -7.413 1.00 0.00 O ATOM 0 H SER A 43 5.149 2.381 -4.824 1.00 0.00 H new ATOM 0 HA SER A 43 5.088 5.197 -5.730 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.341 3.266 -7.401 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.895 3.238 -6.412 1.00 0.00 H new ATOM 0 HG SER A 43 2.714 4.717 -8.190 1.00 0.00 H new ATOM 693 N TRP A 44 3.301 5.784 -4.085 1.00 0.00 N ATOM 694 CA TRP A 44 2.427 6.154 -2.977 1.00 0.00 C ATOM 695 C TRP A 44 0.970 5.853 -3.308 1.00 0.00 C ATOM 696 O TRP A 44 0.461 6.272 -4.347 1.00 0.00 O ATOM 697 CB TRP A 44 2.591 7.638 -2.645 1.00 0.00 C ATOM 698 CG TRP A 44 3.680 7.908 -1.651 1.00 0.00 C ATOM 699 CD1 TRP A 44 4.961 8.297 -1.924 1.00 0.00 C ATOM 700 CD2 TRP A 44 3.584 7.808 -0.226 1.00 0.00 C ATOM 701 NE1 TRP A 44 5.666 8.444 -0.754 1.00 0.00 N ATOM 702 CE2 TRP A 44 4.844 8.151 0.301 1.00 0.00 C ATOM 703 CE3 TRP A 44 2.556 7.463 0.655 1.00 0.00 C ATOM 704 CZ2 TRP A 44 5.101 8.157 1.670 1.00 0.00 C ATOM 705 CZ3 TRP A 44 2.812 7.470 2.013 1.00 0.00 C ATOM 706 CH2 TRP A 44 4.076 7.816 2.510 1.00 0.00 C ATOM 0 H TRP A 44 3.621 6.570 -4.651 1.00 0.00 H new ATOM 0 HA TRP A 44 2.712 5.560 -2.109 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.802 8.187 -3.563 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.649 8.022 -2.254 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.360 8.464 -2.913 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.644 8.726 -0.683 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.579 7.196 0.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.075 8.421 2.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.025 7.204 2.703 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.244 7.813 3.577 1.00 0.00 H new ATOM 717 N GLU A 45 0.304 5.123 -2.418 1.00 0.00 N ATOM 718 CA GLU A 45 -1.096 4.766 -2.619 1.00 0.00 C ATOM 719 C GLU A 45 -1.934 5.148 -1.402 1.00 0.00 C ATOM 720 O GLU A 45 -1.607 4.787 -0.272 1.00 0.00 O ATOM 721 CB GLU A 45 -1.228 3.267 -2.893 1.00 0.00 C ATOM 722 CG GLU A 45 -0.467 2.804 -4.124 1.00 0.00 C ATOM 723 CD GLU A 45 -1.005 3.412 -5.405 1.00 0.00 C ATOM 724 OE1 GLU A 45 -2.235 3.364 -5.615 1.00 0.00 O ATOM 725 OE2 GLU A 45 -0.194 3.936 -6.198 1.00 0.00 O ATOM 0 H GLU A 45 0.710 4.768 -1.553 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.466 5.320 -3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.869 2.714 -2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.283 3.020 -3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.585 3.066 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.520 1.717 -4.192 1.00 0.00 H new ATOM 732 N SER A 46 -3.017 5.880 -1.643 1.00 0.00 N ATOM 733 CA SER A 46 -3.900 6.315 -0.568 1.00 0.00 C ATOM 734 C SER A 46 -4.352 5.128 0.278 1.00 0.00 C ATOM 735 O SER A 46 -3.955 3.990 0.030 1.00 0.00 O ATOM 736 CB SER A 46 -5.119 7.040 -1.142 1.00 0.00 C ATOM 737 OG SER A 46 -6.109 7.240 -0.147 1.00 0.00 O ATOM 0 H SER A 46 -3.304 6.184 -2.573 1.00 0.00 H new ATOM 0 HA SER A 46 -3.344 7.003 0.069 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.813 8.002 -1.554 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.537 6.460 -1.964 1.00 0.00 H new ATOM 0 HG SER A 46 -6.877 7.707 -0.539 1.00 0.00 H new ATOM 743 N GLU A 47 -5.184 5.404 1.277 1.00 0.00 N ATOM 744 CA GLU A 47 -5.689 4.359 2.160 1.00 0.00 C ATOM 745 C GLU A 47 -7.031 3.828 1.664 1.00 0.00 C ATOM 746 O GLU A 47 -7.789 3.223 2.421 1.00 0.00 O ATOM 747 CB GLU A 47 -5.836 4.893 3.587 1.00 0.00 C ATOM 748 CG GLU A 47 -6.929 5.937 3.736 1.00 0.00 C ATOM 749 CD GLU A 47 -7.454 6.034 5.156 1.00 0.00 C ATOM 750 OE1 GLU A 47 -6.710 5.667 6.090 1.00 0.00 O ATOM 751 OE2 GLU A 47 -8.608 6.476 5.332 1.00 0.00 O ATOM 0 H GLU A 47 -5.522 6.341 1.495 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.970 3.539 2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.047 4.060 4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.887 5.325 3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.542 6.909 3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.752 5.694 3.064 1.00 0.00 H new ATOM 758 N ASP A 48 -7.316 4.060 0.387 1.00 0.00 N ATOM 759 CA ASP A 48 -8.565 3.606 -0.212 1.00 0.00 C ATOM 760 C ASP A 48 -8.309 2.496 -1.226 1.00 0.00 C ATOM 761 O ASP A 48 -9.115 1.576 -1.373 1.00 0.00 O ATOM 762 CB ASP A 48 -9.287 4.774 -0.887 1.00 0.00 C ATOM 763 CG ASP A 48 -10.666 4.391 -1.387 1.00 0.00 C ATOM 764 OD1 ASP A 48 -10.916 3.182 -1.569 1.00 0.00 O ATOM 765 OD2 ASP A 48 -11.495 5.301 -1.597 1.00 0.00 O ATOM 0 H ASP A 48 -6.699 4.560 -0.253 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.197 3.209 0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.376 5.599 -0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.687 5.134 -1.723 1.00 0.00 H new ATOM 770 N VAL A 49 -7.183 2.588 -1.926 1.00 0.00 N ATOM 771 CA VAL A 49 -6.820 1.592 -2.927 1.00 0.00 C ATOM 772 C VAL A 49 -7.099 0.180 -2.423 1.00 0.00 C ATOM 773 O VAL A 49 -6.763 -0.162 -1.290 1.00 0.00 O ATOM 774 CB VAL A 49 -5.334 1.702 -3.316 1.00 0.00 C ATOM 775 CG1 VAL A 49 -5.077 2.990 -4.083 1.00 0.00 C ATOM 776 CG2 VAL A 49 -4.453 1.624 -2.079 1.00 0.00 C ATOM 0 H VAL A 49 -6.506 3.343 -1.818 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.433 1.789 -3.806 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.083 0.864 -3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.022 3.050 -4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.681 3.000 -4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.343 3.844 -3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.406 1.703 -2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.703 2.441 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.617 0.672 -1.575 1.00 0.00 H new ATOM 786 N GLU A 50 -7.715 -0.635 -3.273 1.00 0.00 N ATOM 787 CA GLU A 50 -8.038 -2.010 -2.913 1.00 0.00 C ATOM 788 C GLU A 50 -6.954 -2.969 -3.398 1.00 0.00 C ATOM 789 O GLU A 50 -6.823 -3.219 -4.596 1.00 0.00 O ATOM 790 CB GLU A 50 -9.391 -2.411 -3.506 1.00 0.00 C ATOM 791 CG GLU A 50 -9.418 -2.398 -5.025 1.00 0.00 C ATOM 792 CD GLU A 50 -10.828 -2.375 -5.583 1.00 0.00 C ATOM 793 OE1 GLU A 50 -11.502 -1.332 -5.448 1.00 0.00 O ATOM 794 OE2 GLU A 50 -11.257 -3.399 -6.154 1.00 0.00 O ATOM 0 H GLU A 50 -8.000 -0.367 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.093 -2.071 -1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.650 -3.410 -3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.158 -1.733 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.874 -1.526 -5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.896 -3.278 -5.402 1.00 0.00 H new ATOM 801 N ILE A 51 -6.181 -3.502 -2.458 1.00 0.00 N ATOM 802 CA ILE A 51 -5.109 -4.433 -2.788 1.00 0.00 C ATOM 803 C ILE A 51 -5.173 -5.678 -1.910 1.00 0.00 C ATOM 804 O ILE A 51 -5.634 -5.623 -0.771 1.00 0.00 O ATOM 805 CB ILE A 51 -3.725 -3.777 -2.629 1.00 0.00 C ATOM 806 CG1 ILE A 51 -3.683 -2.438 -3.368 1.00 0.00 C ATOM 807 CG2 ILE A 51 -2.636 -4.707 -3.143 1.00 0.00 C ATOM 808 CD1 ILE A 51 -2.669 -1.468 -2.803 1.00 0.00 C ATOM 0 H ILE A 51 -6.277 -3.305 -1.462 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.249 -4.719 -3.831 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.547 -3.591 -1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.455 -2.619 -4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.672 -1.980 -3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.664 -4.229 -3.024 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.655 -5.638 -2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.808 -4.921 -4.198 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.694 -0.541 -3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.908 -1.258 -1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.673 -1.906 -2.865 1.00 0.00 H new ATOM 820 N GLN A 52 -4.706 -6.800 -2.450 1.00 0.00 N ATOM 821 CA GLN A 52 -4.710 -8.059 -1.714 1.00 0.00 C ATOM 822 C GLN A 52 -4.194 -7.861 -0.293 1.00 0.00 C ATOM 823 O GLN A 52 -3.080 -7.379 -0.088 1.00 0.00 O ATOM 824 CB GLN A 52 -3.855 -9.100 -2.440 1.00 0.00 C ATOM 825 CG GLN A 52 -4.339 -10.527 -2.246 1.00 0.00 C ATOM 826 CD GLN A 52 -4.020 -11.418 -3.431 1.00 0.00 C ATOM 827 OE1 GLN A 52 -2.896 -11.421 -3.935 1.00 0.00 O ATOM 828 NE2 GLN A 52 -5.009 -12.181 -3.882 1.00 0.00 N ATOM 0 H GLN A 52 -4.321 -6.863 -3.392 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.738 -8.417 -1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.845 -8.870 -3.505 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.826 -9.023 -2.087 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.880 -10.943 -1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.416 -10.522 -2.080 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.925 -12.147 -3.434 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.853 -12.801 -4.676 1.00 0.00 H new ATOM 837 N ASP A 53 -5.011 -8.236 0.685 1.00 0.00 N ATOM 838 CA ASP A 53 -4.637 -8.100 2.088 1.00 0.00 C ATOM 839 C ASP A 53 -4.032 -6.726 2.359 1.00 0.00 C ATOM 840 O ASP A 53 -3.032 -6.606 3.066 1.00 0.00 O ATOM 841 CB ASP A 53 -3.644 -9.195 2.481 1.00 0.00 C ATOM 842 CG ASP A 53 -4.245 -10.583 2.385 1.00 0.00 C ATOM 843 OD1 ASP A 53 -5.336 -10.718 1.792 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.625 -11.536 2.903 1.00 0.00 O ATOM 0 H ASP A 53 -5.937 -8.637 0.532 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.539 -8.205 2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.768 -9.136 1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.300 -9.021 3.501 1.00 0.00 H new ATOM 849 N TYR A 54 -4.645 -5.694 1.790 1.00 0.00 N ATOM 850 CA TYR A 54 -4.164 -4.328 1.967 1.00 0.00 C ATOM 851 C TYR A 54 -4.380 -3.857 3.402 1.00 0.00 C ATOM 852 O TYR A 54 -3.516 -3.205 3.990 1.00 0.00 O ATOM 853 CB TYR A 54 -4.876 -3.385 0.996 1.00 0.00 C ATOM 854 CG TYR A 54 -4.344 -1.970 1.026 1.00 0.00 C ATOM 855 CD1 TYR A 54 -2.996 -1.719 1.254 1.00 0.00 C ATOM 856 CD2 TYR A 54 -5.188 -0.885 0.825 1.00 0.00 C ATOM 857 CE1 TYR A 54 -2.506 -0.428 1.283 1.00 0.00 C ATOM 858 CE2 TYR A 54 -4.705 0.409 0.850 1.00 0.00 C ATOM 859 CZ TYR A 54 -3.364 0.633 1.080 1.00 0.00 C ATOM 860 OH TYR A 54 -2.879 1.920 1.107 1.00 0.00 O ATOM 0 H TYR A 54 -5.475 -5.777 1.203 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.095 -4.315 1.757 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.780 -3.779 -0.016 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.940 -3.369 1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.321 -2.547 1.411 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.239 -1.056 0.646 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.456 -0.250 1.464 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.375 1.241 0.690 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.417 2.485 0.514 1.00 0.00 H new ATOM 870 N ASP A 55 -5.538 -4.192 3.960 1.00 0.00 N ATOM 871 CA ASP A 55 -5.868 -3.805 5.327 1.00 0.00 C ATOM 872 C ASP A 55 -4.901 -4.441 6.321 1.00 0.00 C ATOM 873 O ASP A 55 -4.370 -3.768 7.205 1.00 0.00 O ATOM 874 CB ASP A 55 -7.304 -4.212 5.662 1.00 0.00 C ATOM 875 CG ASP A 55 -7.949 -3.281 6.670 1.00 0.00 C ATOM 876 OD1 ASP A 55 -8.149 -2.094 6.339 1.00 0.00 O ATOM 877 OD2 ASP A 55 -8.256 -3.741 7.790 1.00 0.00 O ATOM 0 H ASP A 55 -6.264 -4.731 3.487 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.778 -2.721 5.403 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.898 -4.222 4.748 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.308 -5.228 6.056 1.00 0.00 H new ATOM 882 N LEU A 56 -4.678 -5.742 6.170 1.00 0.00 N ATOM 883 CA LEU A 56 -3.775 -6.471 7.055 1.00 0.00 C ATOM 884 C LEU A 56 -2.482 -5.692 7.275 1.00 0.00 C ATOM 885 O LEU A 56 -2.110 -5.393 8.410 1.00 0.00 O ATOM 886 CB LEU A 56 -3.461 -7.850 6.473 1.00 0.00 C ATOM 887 CG LEU A 56 -4.622 -8.844 6.437 1.00 0.00 C ATOM 888 CD1 LEU A 56 -4.106 -10.261 6.247 1.00 0.00 C ATOM 889 CD2 LEU A 56 -5.450 -8.742 7.710 1.00 0.00 C ATOM 0 H LEU A 56 -5.110 -6.314 5.444 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.271 -6.595 8.018 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.091 -7.717 5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.650 -8.291 7.053 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.262 -8.596 5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.947 -10.954 6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.557 -10.325 5.308 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.444 -10.521 7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.272 -9.456 7.668 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.821 -8.964 8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.851 -7.733 7.803 1.00 0.00 H new ATOM 901 N PHE A 57 -1.802 -5.364 6.181 1.00 0.00 N ATOM 902 CA PHE A 57 -0.551 -4.619 6.254 1.00 0.00 C ATOM 903 C PHE A 57 -0.739 -3.314 7.022 1.00 0.00 C ATOM 904 O PHE A 57 -0.044 -3.052 8.005 1.00 0.00 O ATOM 905 CB PHE A 57 -0.025 -4.325 4.848 1.00 0.00 C ATOM 906 CG PHE A 57 0.744 -5.465 4.244 1.00 0.00 C ATOM 907 CD1 PHE A 57 0.088 -6.598 3.792 1.00 0.00 C ATOM 908 CD2 PHE A 57 2.124 -5.404 4.130 1.00 0.00 C ATOM 909 CE1 PHE A 57 0.793 -7.649 3.236 1.00 0.00 C ATOM 910 CE2 PHE A 57 2.834 -6.451 3.575 1.00 0.00 C ATOM 911 CZ PHE A 57 2.167 -7.576 3.128 1.00 0.00 C ATOM 0 H PHE A 57 -2.096 -5.602 5.234 1.00 0.00 H new ATOM 0 HA PHE A 57 0.177 -5.232 6.786 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.865 -4.080 4.199 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.616 -3.444 4.886 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.987 -6.661 3.875 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.650 -4.528 4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.269 -8.526 2.886 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.909 -6.391 3.490 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.720 -8.396 2.695 1.00 0.00 H new ATOM 921 N LYS A 58 -1.683 -2.498 6.567 1.00 0.00 N ATOM 922 CA LYS A 58 -1.965 -1.220 7.210 1.00 0.00 C ATOM 923 C LYS A 58 -2.178 -1.400 8.710 1.00 0.00 C ATOM 924 O LYS A 58 -1.723 -0.585 9.512 1.00 0.00 O ATOM 925 CB LYS A 58 -3.202 -0.572 6.583 1.00 0.00 C ATOM 926 CG LYS A 58 -3.114 -0.429 5.073 1.00 0.00 C ATOM 927 CD LYS A 58 -4.493 -0.385 4.437 1.00 0.00 C ATOM 928 CE LYS A 58 -4.959 1.046 4.215 1.00 0.00 C ATOM 929 NZ LYS A 58 -6.439 1.171 4.327 1.00 0.00 N ATOM 0 H LYS A 58 -2.266 -2.699 5.755 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.104 -0.568 7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.080 -1.168 6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.349 0.413 7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.568 0.481 4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.548 -1.264 4.660 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.472 -0.914 3.484 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.206 -0.906 5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.483 1.700 4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.640 1.383 3.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.781 1.873 3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.881 0.250 4.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.690 1.477 5.289 1.00 0.00 H new ATOM 943 N GLN A 59 -2.870 -2.473 9.080 1.00 0.00 N ATOM 944 CA GLN A 59 -3.142 -2.759 10.483 1.00 0.00 C ATOM 945 C GLN A 59 -1.854 -3.095 11.229 1.00 0.00 C ATOM 946 O GLN A 59 -1.705 -2.769 12.407 1.00 0.00 O ATOM 947 CB GLN A 59 -4.134 -3.917 10.607 1.00 0.00 C ATOM 948 CG GLN A 59 -4.457 -4.290 12.044 1.00 0.00 C ATOM 949 CD GLN A 59 -5.478 -3.362 12.673 1.00 0.00 C ATOM 950 OE1 GLN A 59 -5.123 -2.365 13.303 1.00 0.00 O ATOM 951 NE2 GLN A 59 -6.755 -3.685 12.504 1.00 0.00 N ATOM 0 H GLN A 59 -3.252 -3.158 8.428 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.579 -1.867 10.932 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.058 -3.650 10.093 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.727 -4.790 10.097 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.834 -5.312 12.074 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.541 -4.270 12.635 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.004 -4.521 11.975 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.487 -3.098 12.904 1.00 0.00 H new ATOM 960 N SER A 60 -0.928 -3.749 10.536 1.00 0.00 N ATOM 961 CA SER A 60 0.345 -4.133 11.134 1.00 0.00 C ATOM 962 C SER A 60 1.210 -2.905 11.405 1.00 0.00 C ATOM 963 O SER A 60 1.424 -2.525 12.556 1.00 0.00 O ATOM 964 CB SER A 60 1.091 -5.104 10.217 1.00 0.00 C ATOM 965 OG SER A 60 2.067 -5.838 10.937 1.00 0.00 O ATOM 0 H SER A 60 -1.035 -4.024 9.560 1.00 0.00 H new ATOM 0 HA SER A 60 0.138 -4.627 12.083 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.382 -5.791 9.756 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.570 -4.551 9.409 1.00 0.00 H new ATOM 0 HG SER A 60 2.529 -6.453 10.329 1.00 0.00 H new ATOM 971 N TYR A 61 1.705 -2.291 10.337 1.00 0.00 N ATOM 972 CA TYR A 61 2.549 -1.108 10.458 1.00 0.00 C ATOM 973 C TYR A 61 2.079 -0.219 11.606 1.00 0.00 C ATOM 974 O TYR A 61 2.880 0.227 12.428 1.00 0.00 O ATOM 975 CB TYR A 61 2.544 -0.315 9.149 1.00 0.00 C ATOM 976 CG TYR A 61 3.371 0.949 9.204 1.00 0.00 C ATOM 977 CD1 TYR A 61 4.737 0.920 8.948 1.00 0.00 C ATOM 978 CD2 TYR A 61 2.788 2.172 9.510 1.00 0.00 C ATOM 979 CE1 TYR A 61 5.497 2.073 8.998 1.00 0.00 C ATOM 980 CE2 TYR A 61 3.540 3.330 9.560 1.00 0.00 C ATOM 981 CZ TYR A 61 4.894 3.275 9.303 1.00 0.00 C ATOM 982 OH TYR A 61 5.647 4.425 9.352 1.00 0.00 O ATOM 0 H TYR A 61 1.537 -2.593 9.377 1.00 0.00 H new ATOM 0 HA TYR A 61 3.566 -1.439 10.671 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.920 -0.951 8.347 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.516 -0.056 8.895 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.212 -0.019 8.706 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.728 2.219 9.712 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.558 2.033 8.799 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.070 4.273 9.799 1.00 0.00 H new ATOM 0 HH TYR A 61 5.942 4.661 8.448 1.00 0.00 H new ATOM 992 N TRP A 62 0.776 0.034 11.654 1.00 0.00 N ATOM 993 CA TRP A 62 0.198 0.869 12.701 1.00 0.00 C ATOM 994 C TRP A 62 0.572 0.345 14.083 1.00 0.00 C ATOM 995 O TRP A 62 1.137 1.071 14.900 1.00 0.00 O ATOM 996 CB TRP A 62 -1.323 0.923 12.556 1.00 0.00 C ATOM 997 CG TRP A 62 -1.793 1.993 11.617 1.00 0.00 C ATOM 998 CD1 TRP A 62 -2.665 1.844 10.577 1.00 0.00 C ATOM 999 CD2 TRP A 62 -1.414 3.373 11.631 1.00 0.00 C ATOM 1000 NE1 TRP A 62 -2.851 3.050 9.943 1.00 0.00 N ATOM 1001 CE2 TRP A 62 -2.095 4.004 10.572 1.00 0.00 C ATOM 1002 CE3 TRP A 62 -0.566 4.138 12.437 1.00 0.00 C ATOM 1003 CZ2 TRP A 62 -1.953 5.361 10.299 1.00 0.00 C ATOM 1004 CZ3 TRP A 62 -0.426 5.486 12.165 1.00 0.00 C ATOM 1005 CH2 TRP A 62 -1.117 6.087 11.104 1.00 0.00 C ATOM 0 H TRP A 62 0.100 -0.327 10.981 1.00 0.00 H new ATOM 0 HA TRP A 62 0.602 1.876 12.594 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -1.682 -0.044 12.202 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -1.769 1.089 13.537 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -3.139 0.916 10.294 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -3.454 3.209 9.136 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -0.030 3.684 13.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -2.484 5.825 9.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 0.227 6.087 12.781 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -0.987 7.143 10.918 1.00 0.00 H new ATOM 1016 N ASN A 63 0.252 -0.919 14.339 1.00 0.00 N ATOM 1017 CA ASN A 63 0.554 -1.540 15.623 1.00 0.00 C ATOM 1018 C ASN A 63 2.061 -1.671 15.823 1.00 0.00 C ATOM 1019 O ASN A 63 2.634 -1.058 16.724 1.00 0.00 O ATOM 1020 CB ASN A 63 -0.106 -2.917 15.716 1.00 0.00 C ATOM 1021 CG ASN A 63 -1.536 -2.840 16.215 1.00 0.00 C ATOM 1022 OD1 ASN A 63 -1.780 -2.652 17.407 1.00 0.00 O ATOM 1023 ND2 ASN A 63 -2.490 -2.986 15.303 1.00 0.00 N ATOM 0 H ASN A 63 -0.217 -1.534 13.674 1.00 0.00 H new ATOM 0 HA ASN A 63 0.155 -0.900 16.410 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.092 -3.391 14.735 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.476 -3.551 16.385 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.471 -2.944 15.580 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.242 -3.140 14.326 1.00 0.00 H new ATOM 1030 N HIS A 64 2.696 -2.475 14.976 1.00 0.00 N ATOM 1031 CA HIS A 64 4.137 -2.686 15.058 1.00 0.00 C ATOM 1032 C HIS A 64 4.890 -1.370 14.888 1.00 0.00 C ATOM 1033 O HIS A 64 5.658 -0.965 15.761 1.00 0.00 O ATOM 1034 CB HIS A 64 4.589 -3.687 13.994 1.00 0.00 C ATOM 1035 CG HIS A 64 6.042 -3.579 13.648 1.00 0.00 C ATOM 1036 ND1 HIS A 64 6.940 -4.606 13.843 1.00 0.00 N ATOM 1037 CD2 HIS A 64 6.751 -2.557 13.115 1.00 0.00 C ATOM 1038 CE1 HIS A 64 8.140 -4.220 13.447 1.00 0.00 C ATOM 1039 NE2 HIS A 64 8.052 -2.980 13.001 1.00 0.00 N ATOM 0 H HIS A 64 2.236 -2.991 14.226 1.00 0.00 H new ATOM 0 HA HIS A 64 4.364 -3.089 16.045 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.382 -4.697 14.347 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.997 -3.537 13.091 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.365 -1.589 12.832 1.00 0.00 H new ATOM 0 HE1 HIS A 64 9.039 -4.817 13.482 1.00 0.00 H new ATOM 0 HE2 HIS A 64 8.825 -2.427 12.632 1.00 0.00 H new TER 1048 HIS A 64