USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1016 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 10 MET CE :methyl -178:sc= -0.318 (180deg=-0.34) USER MOD Set 1.2: A 119 MET CE :methyl -166:sc=-0.00386 (180deg=-0.101) USER MOD Set 1.3: A 128 GLN : amide:sc=-0.000712 K(o=-0.32,f=-2) USER MOD Set 2.1: A 94 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Set 2.2: A 107 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 65 GLN : amide:sc= 0.59 K(o=1.2,f=-1.1) USER MOD Set 3.2: A 68 LYS NZ :NH3+ 166:sc= 0.64 (180deg=0) USER MOD Set 4.1: A 62 MET CE :methyl -179:sc= -0.0035 (180deg=-0.00547) USER MOD Set 4.2: A 95 CYS SG : rot -160:sc= -0.812 USER MOD Set 5.1: A 5 ASN : amide:sc= 0.919 K(o=1.2,f=-1.7) USER MOD Set 5.2: A 44 GLN : amide:sc= 0.279 K(o=1.2,f=-0.66!) USER MOD Set 6.1: A 40 LYS NZ :NH3+ -159:sc=-0.00559 (180deg=-0.193) USER MOD Set 6.2: A 53 THR OG1 : rot 180:sc= -0.0252 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 84:sc= 1.23 USER MOD Single : A 13 ASN : amide:sc= -1.53! C(o=-1.5!,f=-4.5!) USER MOD Single : A 15 ASN : amide:sc= 0.384 K(o=0.38,f=-0.34) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc=-0.000459 K(o=-0.00046,f=-1.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.415 K(o=0.42,f=-4.3!) USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0.219 (180deg=0.216) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl -121:sc= -0.171 (180deg=-0.173) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.129 K(o=0.13,f=-4.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= 1.26 USER MOD Single : A 82 CYS SG : rot 31:sc= -0.111 USER MOD Single : A 83 MET CE :methyl 168:sc= 0 (180deg=-0.296) USER MOD Single : A 84 THR OG1 : rot 70:sc= 1.18 USER MOD Single : A 85 THR OG1 : rot -159:sc= 0.108 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0.868 K(o=0.87,f=-5.6!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.0181 K(o=-0.018,f=-2.1) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 125 THR OG1 : rot 180:sc=-0.00826 USER MOD Single : A 126 CYS SG : rot 174:sc= -1.12 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 172:sc= 0.693 (180deg=0.656) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 19 N PRO A 1 3.964 -0.478 -0.346 1.00 0.00 N ATOM 20 CA PRO A 1 5.308 -0.925 0.122 1.00 0.00 C ATOM 21 C PRO A 1 6.226 -1.514 -0.998 1.00 0.00 C ATOM 22 O PRO A 1 5.815 -2.371 -1.788 1.00 0.00 O ATOM 23 CB PRO A 1 4.948 -1.932 1.229 1.00 0.00 C ATOM 24 CG PRO A 1 3.567 -2.463 0.871 1.00 0.00 C ATOM 25 CD PRO A 1 2.860 -1.259 0.251 1.00 0.00 C ATOM 0 H2 PRO A 1 3.919 -0.556 -1.362 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.840 0.508 -0.117 1.00 0.00 H new ATOM 0 HA PRO A 1 5.927 -0.099 0.473 1.00 0.00 H new ATOM 0 HB2 PRO A 1 5.678 -2.740 1.275 1.00 0.00 H new ATOM 0 HB3 PRO A 1 4.941 -1.452 2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.628 -3.295 0.170 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.038 -2.827 1.752 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.133 -1.565 -0.501 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.320 -0.681 1.001 1.00 0.00 H new ATOM 33 N VAL A 2 7.473 -1.022 -1.074 1.00 0.00 N ATOM 34 CA VAL A 2 8.367 -1.266 -2.247 1.00 0.00 C ATOM 35 C VAL A 2 9.038 -2.687 -2.240 1.00 0.00 C ATOM 36 O VAL A 2 9.710 -3.083 -1.283 1.00 0.00 O ATOM 37 CB VAL A 2 9.401 -0.099 -2.439 1.00 0.00 C ATOM 38 CG1 VAL A 2 8.748 1.268 -2.748 1.00 0.00 C ATOM 39 CG2 VAL A 2 10.419 0.088 -1.292 1.00 0.00 C ATOM 0 H VAL A 2 7.897 -0.451 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 2 7.724 -1.268 -3.127 1.00 0.00 H new ATOM 0 HB VAL A 2 9.955 -0.444 -3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.525 2.023 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 2 8.168 1.195 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.090 1.551 -1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.084 0.919 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.887 0.300 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.005 -0.823 -1.174 1.00 0.00 H new ATOM 49 N ASP A 3 8.876 -3.450 -3.337 1.00 0.00 N ATOM 50 CA ASP A 3 9.378 -4.847 -3.448 1.00 0.00 C ATOM 51 C ASP A 3 10.922 -4.912 -3.671 1.00 0.00 C ATOM 52 O ASP A 3 11.427 -4.798 -4.791 1.00 0.00 O ATOM 53 CB ASP A 3 8.577 -5.547 -4.578 1.00 0.00 C ATOM 54 CG ASP A 3 7.094 -5.795 -4.284 1.00 0.00 C ATOM 55 OD1 ASP A 3 6.657 -6.828 -3.789 1.00 0.00 O ATOM 56 OD2 ASP A 3 6.317 -4.729 -4.623 1.00 0.00 O ATOM 0 H ASP A 3 8.395 -3.123 -4.175 1.00 0.00 H new ATOM 0 HA ASP A 3 9.218 -5.374 -2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.653 -4.942 -5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.051 -6.504 -4.795 1.00 0.00 H new ATOM 62 N PHE A 4 11.660 -5.127 -2.570 1.00 0.00 N ATOM 63 CA PHE A 4 13.155 -5.198 -2.586 1.00 0.00 C ATOM 64 C PHE A 4 13.826 -6.474 -3.212 1.00 0.00 C ATOM 65 O PHE A 4 15.057 -6.549 -3.221 1.00 0.00 O ATOM 66 CB PHE A 4 13.647 -5.015 -1.122 1.00 0.00 C ATOM 67 CG PHE A 4 13.307 -3.711 -0.381 1.00 0.00 C ATOM 68 CD1 PHE A 4 13.894 -2.501 -0.760 1.00 0.00 C ATOM 69 CD2 PHE A 4 12.440 -3.738 0.714 1.00 0.00 C ATOM 70 CE1 PHE A 4 13.631 -1.336 -0.042 1.00 0.00 C ATOM 71 CE2 PHE A 4 12.169 -2.571 1.421 1.00 0.00 C ATOM 72 CZ PHE A 4 12.770 -1.373 1.052 1.00 0.00 C ATOM 0 H PHE A 4 11.254 -5.257 -1.643 1.00 0.00 H new ATOM 0 HA PHE A 4 13.468 -4.405 -3.265 1.00 0.00 H new ATOM 0 HB2 PHE A 4 13.248 -5.842 -0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.732 -5.120 -1.123 1.00 0.00 H new ATOM 0 HD1 PHE A 4 14.555 -2.468 -1.614 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.979 -4.668 1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.095 -0.405 -0.334 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.489 -2.596 2.260 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.569 -0.472 1.613 1.00 0.00 H new ATOM 82 N ASN A 5 13.064 -7.452 -3.736 1.00 0.00 N ATOM 83 CA ASN A 5 13.582 -8.732 -4.295 1.00 0.00 C ATOM 84 C ASN A 5 14.717 -8.596 -5.366 1.00 0.00 C ATOM 85 O ASN A 5 14.468 -8.156 -6.493 1.00 0.00 O ATOM 86 CB ASN A 5 12.371 -9.481 -4.928 1.00 0.00 C ATOM 87 CG ASN A 5 11.220 -9.835 -3.984 1.00 0.00 C ATOM 88 OD1 ASN A 5 10.371 -9.011 -3.663 1.00 0.00 O ATOM 89 ND2 ASN A 5 11.202 -11.035 -3.474 1.00 0.00 N ATOM 0 H ASN A 5 12.048 -7.381 -3.788 1.00 0.00 H new ATOM 0 HA ASN A 5 14.045 -9.270 -3.468 1.00 0.00 H new ATOM 0 HB2 ASN A 5 11.974 -8.866 -5.736 1.00 0.00 H new ATOM 0 HB3 ASN A 5 12.738 -10.403 -5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.478 -11.293 -2.803 1.00 0.00 H new ATOM 0 HD22 ASN A 5 11.912 -11.715 -3.746 1.00 0.00 H new ATOM 96 N GLY A 6 15.956 -8.980 -5.015 1.00 0.00 N ATOM 97 CA GLY A 6 17.099 -8.849 -5.953 1.00 0.00 C ATOM 98 C GLY A 6 18.500 -8.890 -5.317 1.00 0.00 C ATOM 99 O GLY A 6 18.676 -8.981 -4.100 1.00 0.00 O ATOM 0 H GLY A 6 16.196 -9.377 -4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.032 -9.649 -6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 6 16.994 -7.908 -6.494 1.00 0.00 H new ATOM 103 N TYR A 7 19.502 -8.789 -6.198 1.00 0.00 N ATOM 104 CA TYR A 7 20.931 -8.645 -5.805 1.00 0.00 C ATOM 105 C TYR A 7 21.408 -7.206 -6.184 1.00 0.00 C ATOM 106 O TYR A 7 21.255 -6.769 -7.331 1.00 0.00 O ATOM 107 CB TYR A 7 21.738 -9.766 -6.523 1.00 0.00 C ATOM 108 CG TYR A 7 23.100 -10.122 -5.905 1.00 0.00 C ATOM 109 CD1 TYR A 7 24.215 -9.299 -6.104 1.00 0.00 C ATOM 110 CD2 TYR A 7 23.255 -11.315 -5.193 1.00 0.00 C ATOM 111 CE1 TYR A 7 25.459 -9.669 -5.602 1.00 0.00 C ATOM 112 CE2 TYR A 7 24.494 -11.670 -4.666 1.00 0.00 C ATOM 113 CZ TYR A 7 25.596 -10.843 -4.871 1.00 0.00 C ATOM 114 OH TYR A 7 26.819 -11.181 -4.359 1.00 0.00 O ATOM 0 H TYR A 7 19.357 -8.804 -7.208 1.00 0.00 H new ATOM 0 HA TYR A 7 21.082 -8.760 -4.732 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.126 -10.668 -6.547 1.00 0.00 H new ATOM 0 HB3 TYR A 7 21.900 -9.463 -7.558 1.00 0.00 H new ATOM 0 HD1 TYR A 7 24.109 -8.373 -6.650 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.406 -11.967 -5.050 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.320 -9.042 -5.781 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.600 -12.584 -4.100 1.00 0.00 H new ATOM 0 HH TYR A 7 26.747 -12.029 -3.873 1.00 0.00 H new ATOM 124 N TRP A 8 21.963 -6.472 -5.208 1.00 0.00 N ATOM 125 CA TRP A 8 22.210 -5.008 -5.324 1.00 0.00 C ATOM 126 C TRP A 8 23.697 -4.698 -4.943 1.00 0.00 C ATOM 127 O TRP A 8 24.134 -5.039 -3.839 1.00 0.00 O ATOM 128 CB TRP A 8 21.231 -4.230 -4.387 1.00 0.00 C ATOM 129 CG TRP A 8 19.712 -4.483 -4.515 1.00 0.00 C ATOM 130 CD1 TRP A 8 19.029 -5.588 -3.955 1.00 0.00 C ATOM 131 CD2 TRP A 8 18.718 -3.684 -5.057 1.00 0.00 C ATOM 132 NE1 TRP A 8 17.641 -5.512 -4.153 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.468 -4.320 -4.824 1.00 0.00 C ATOM 134 CE3 TRP A 8 18.766 -2.423 -5.700 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.266 -3.698 -5.224 1.00 0.00 C ATOM 136 CZ3 TRP A 8 17.564 -1.832 -6.097 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.333 -2.458 -5.862 1.00 0.00 C ATOM 0 H TRP A 8 22.256 -6.866 -4.314 1.00 0.00 H new ATOM 0 HA TRP A 8 22.035 -4.688 -6.351 1.00 0.00 H new ATOM 0 HB2 TRP A 8 21.516 -4.450 -3.358 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.402 -3.165 -4.544 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.519 -6.398 -3.435 1.00 0.00 H new ATOM 0 HE1 TRP A 8 16.927 -6.182 -3.867 1.00 0.00 H new ATOM 0 HE3 TRP A 8 19.710 -1.930 -5.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.313 -4.172 -5.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 17.584 -0.874 -6.595 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.421 -1.974 -6.179 1.00 0.00 H new ATOM 148 N LYS A 9 24.473 -4.027 -5.816 1.00 0.00 N ATOM 149 CA LYS A 9 25.867 -3.590 -5.492 1.00 0.00 C ATOM 150 C LYS A 9 25.925 -2.168 -4.849 1.00 0.00 C ATOM 151 O LYS A 9 25.175 -1.282 -5.266 1.00 0.00 O ATOM 152 CB LYS A 9 26.757 -3.672 -6.766 1.00 0.00 C ATOM 153 CG LYS A 9 26.471 -2.674 -7.927 1.00 0.00 C ATOM 154 CD LYS A 9 27.680 -2.402 -8.842 1.00 0.00 C ATOM 155 CE LYS A 9 28.096 -3.581 -9.734 1.00 0.00 C ATOM 156 NZ LYS A 9 29.305 -3.227 -10.502 1.00 0.00 N ATOM 0 H LYS A 9 24.168 -3.770 -6.755 1.00 0.00 H new ATOM 0 HA LYS A 9 26.257 -4.274 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.794 -3.536 -6.458 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.673 -4.682 -7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.653 -3.064 -8.532 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.131 -1.729 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 9 27.450 -1.548 -9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 9 28.530 -2.118 -8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 9 28.289 -4.462 -9.121 1.00 0.00 H new ATOM 0 HE3 LYS A 9 27.284 -3.838 -10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 29.581 -4.029 -11.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 29.107 -2.399 -11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 30.080 -3.003 -9.846 1.00 0.00 H new ATOM 169 N MET A 10 26.835 -1.908 -3.891 1.00 0.00 N ATOM 170 CA MET A 10 27.020 -0.537 -3.332 1.00 0.00 C ATOM 171 C MET A 10 27.803 0.408 -4.304 1.00 0.00 C ATOM 172 O MET A 10 28.904 0.099 -4.771 1.00 0.00 O ATOM 173 CB MET A 10 27.680 -0.634 -1.937 1.00 0.00 C ATOM 174 CG MET A 10 27.630 0.682 -1.129 1.00 0.00 C ATOM 175 SD MET A 10 28.497 0.512 0.438 1.00 0.00 S ATOM 176 CE MET A 10 27.287 -0.375 1.416 1.00 0.00 C ATOM 0 H MET A 10 27.451 -2.613 -3.486 1.00 0.00 H new ATOM 0 HA MET A 10 26.039 -0.075 -3.218 1.00 0.00 H new ATOM 0 HB2 MET A 10 27.185 -1.419 -1.365 1.00 0.00 H new ATOM 0 HB3 MET A 10 28.720 -0.935 -2.058 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.079 1.487 -1.711 1.00 0.00 H new ATOM 0 HG3 MET A 10 26.592 0.961 -0.946 1.00 0.00 H new ATOM 0 HE1 MET A 10 27.671 -0.521 2.426 1.00 0.00 H new ATOM 0 HE2 MET A 10 26.362 0.200 1.459 1.00 0.00 H new ATOM 0 HE3 MET A 10 27.090 -1.345 0.959 1.00 0.00 H new ATOM 186 N LEU A 11 27.215 1.580 -4.567 1.00 0.00 N ATOM 187 CA LEU A 11 27.869 2.684 -5.321 1.00 0.00 C ATOM 188 C LEU A 11 28.720 3.642 -4.418 1.00 0.00 C ATOM 189 O LEU A 11 29.858 3.951 -4.782 1.00 0.00 O ATOM 190 CB LEU A 11 26.784 3.484 -6.105 1.00 0.00 C ATOM 191 CG LEU A 11 25.944 2.763 -7.194 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.956 3.766 -7.818 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.794 2.128 -8.309 1.00 0.00 C ATOM 0 H LEU A 11 26.266 1.802 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 11 28.576 2.227 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 11 26.088 3.895 -5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 11 27.281 4.329 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 11 25.420 1.947 -6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 11 24.364 3.265 -8.583 1.00 0.00 H new ATOM 0 HD12 LEU A 11 24.294 4.155 -7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 11 25.510 4.589 -8.269 1.00 0.00 H new ATOM 0 HD21 LEU A 11 26.140 1.643 -9.033 1.00 0.00 H new ATOM 0 HD22 LEU A 11 27.377 2.902 -8.808 1.00 0.00 H new ATOM 0 HD23 LEU A 11 27.468 1.389 -7.876 1.00 0.00 H new ATOM 205 N SER A 12 28.172 4.156 -3.293 1.00 0.00 N ATOM 206 CA SER A 12 28.818 5.229 -2.487 1.00 0.00 C ATOM 207 C SER A 12 28.603 5.063 -0.949 1.00 0.00 C ATOM 208 O SER A 12 27.508 4.729 -0.484 1.00 0.00 O ATOM 209 CB SER A 12 28.318 6.608 -2.992 1.00 0.00 C ATOM 210 OG SER A 12 26.927 6.823 -2.730 1.00 0.00 O ATOM 0 H SER A 12 27.277 3.845 -2.917 1.00 0.00 H new ATOM 0 HA SER A 12 29.896 5.154 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.899 7.397 -2.515 1.00 0.00 H new ATOM 0 HB3 SER A 12 28.497 6.684 -4.064 1.00 0.00 H new ATOM 0 HG SER A 12 26.814 7.153 -1.814 1.00 0.00 H new ATOM 216 N ASN A 13 29.649 5.385 -0.163 1.00 0.00 N ATOM 217 CA ASN A 13 29.647 5.244 1.318 1.00 0.00 C ATOM 218 C ASN A 13 29.836 6.669 1.936 1.00 0.00 C ATOM 219 O ASN A 13 30.973 7.142 2.054 1.00 0.00 O ATOM 220 CB ASN A 13 30.820 4.291 1.706 1.00 0.00 C ATOM 221 CG ASN A 13 30.762 2.832 1.227 1.00 0.00 C ATOM 222 OD1 ASN A 13 30.393 2.522 0.103 1.00 0.00 O ATOM 223 ND2 ASN A 13 31.186 1.884 2.023 1.00 0.00 N ATOM 0 H ASN A 13 30.526 5.752 -0.533 1.00 0.00 H new ATOM 0 HA ASN A 13 28.714 4.823 1.693 1.00 0.00 H new ATOM 0 HB2 ASN A 13 31.743 4.729 1.327 1.00 0.00 H new ATOM 0 HB3 ASN A 13 30.895 4.281 2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 13 31.202 0.917 1.700 1.00 0.00 H new ATOM 0 HD22 ASN A 13 31.500 2.112 2.966 1.00 0.00 H new ATOM 230 N GLU A 14 28.748 7.399 2.277 1.00 0.00 N ATOM 231 CA GLU A 14 28.852 8.868 2.560 1.00 0.00 C ATOM 232 C GLU A 14 29.438 9.245 3.954 1.00 0.00 C ATOM 233 O GLU A 14 30.548 9.776 4.032 1.00 0.00 O ATOM 234 CB GLU A 14 27.521 9.613 2.236 1.00 0.00 C ATOM 235 CG GLU A 14 27.153 9.853 0.748 1.00 0.00 C ATOM 236 CD GLU A 14 26.353 8.757 0.048 1.00 0.00 C ATOM 237 OE1 GLU A 14 25.162 8.852 -0.232 1.00 0.00 O ATOM 238 OE2 GLU A 14 27.125 7.677 -0.248 1.00 0.00 O ATOM 0 H GLU A 14 27.807 7.016 2.364 1.00 0.00 H new ATOM 0 HA GLU A 14 29.612 9.229 1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 14 26.706 9.051 2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 14 27.555 10.584 2.730 1.00 0.00 H new ATOM 0 HG2 GLU A 14 26.584 10.781 0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 14 28.077 10.007 0.191 1.00 0.00 H new ATOM 246 N ASN A 15 28.693 8.999 5.038 1.00 0.00 N ATOM 247 CA ASN A 15 29.192 9.220 6.428 1.00 0.00 C ATOM 248 C ASN A 15 29.201 7.884 7.247 1.00 0.00 C ATOM 249 O ASN A 15 28.838 7.839 8.426 1.00 0.00 O ATOM 250 CB ASN A 15 28.334 10.395 6.974 1.00 0.00 C ATOM 251 CG ASN A 15 28.807 11.013 8.288 1.00 0.00 C ATOM 252 OD1 ASN A 15 29.972 11.354 8.461 1.00 0.00 O ATOM 253 ND2 ASN A 15 27.923 11.213 9.233 1.00 0.00 N ATOM 0 H ASN A 15 27.737 8.645 4.994 1.00 0.00 H new ATOM 0 HA ASN A 15 30.240 9.511 6.496 1.00 0.00 H new ATOM 0 HB2 ASN A 15 28.303 11.179 6.217 1.00 0.00 H new ATOM 0 HB3 ASN A 15 27.312 10.041 7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 15 28.204 11.651 10.110 1.00 0.00 H new ATOM 0 HD22 ASN A 15 26.953 10.930 9.092 1.00 0.00 H new ATOM 260 N PHE A 16 29.690 6.797 6.615 1.00 0.00 N ATOM 261 CA PHE A 16 29.861 5.470 7.276 1.00 0.00 C ATOM 262 C PHE A 16 31.038 5.394 8.309 1.00 0.00 C ATOM 263 O PHE A 16 30.878 4.794 9.375 1.00 0.00 O ATOM 264 CB PHE A 16 29.914 4.407 6.141 1.00 0.00 C ATOM 265 CG PHE A 16 29.806 2.916 6.519 1.00 0.00 C ATOM 266 CD1 PHE A 16 28.926 2.451 7.505 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.533 1.988 5.769 1.00 0.00 C ATOM 268 CE1 PHE A 16 28.810 1.086 7.762 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.399 0.623 6.008 1.00 0.00 C ATOM 270 CZ PHE A 16 29.546 0.174 7.011 1.00 0.00 C ATOM 0 H PHE A 16 29.979 6.805 5.637 1.00 0.00 H new ATOM 0 HA PHE A 16 29.010 5.270 7.928 1.00 0.00 H new ATOM 0 HB2 PHE A 16 29.109 4.630 5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 16 30.852 4.545 5.602 1.00 0.00 H new ATOM 0 HD1 PHE A 16 28.333 3.155 8.070 1.00 0.00 H new ATOM 0 HD2 PHE A 16 31.205 2.333 4.997 1.00 0.00 H new ATOM 0 HE1 PHE A 16 28.150 0.737 8.542 1.00 0.00 H new ATOM 0 HE2 PHE A 16 30.957 -0.087 5.415 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.455 -0.884 7.207 1.00 0.00 H new ATOM 280 N GLU A 17 32.172 6.062 8.023 1.00 0.00 N ATOM 281 CA GLU A 17 33.273 6.332 8.998 1.00 0.00 C ATOM 282 C GLU A 17 32.818 6.953 10.371 1.00 0.00 C ATOM 283 O GLU A 17 33.094 6.373 11.426 1.00 0.00 O ATOM 284 CB GLU A 17 34.351 7.190 8.245 1.00 0.00 C ATOM 285 CG GLU A 17 35.837 6.781 8.418 1.00 0.00 C ATOM 286 CD GLU A 17 36.517 7.082 9.757 1.00 0.00 C ATOM 287 OE1 GLU A 17 35.932 7.458 10.769 1.00 0.00 O ATOM 288 OE2 GLU A 17 37.858 6.831 9.704 1.00 0.00 O ATOM 0 H GLU A 17 32.362 6.440 7.095 1.00 0.00 H new ATOM 0 HA GLU A 17 33.697 5.381 9.322 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.117 7.166 7.181 1.00 0.00 H new ATOM 0 HB3 GLU A 17 34.246 8.225 8.572 1.00 0.00 H new ATOM 0 HG2 GLU A 17 35.910 5.708 8.241 1.00 0.00 H new ATOM 0 HG3 GLU A 17 36.412 7.274 7.634 1.00 0.00 H new ATOM 296 N GLU A 18 32.075 8.082 10.358 1.00 0.00 N ATOM 297 CA GLU A 18 31.502 8.697 11.593 1.00 0.00 C ATOM 298 C GLU A 18 30.305 7.921 12.258 1.00 0.00 C ATOM 299 O GLU A 18 30.230 7.873 13.487 1.00 0.00 O ATOM 300 CB GLU A 18 31.133 10.161 11.250 1.00 0.00 C ATOM 301 CG GLU A 18 30.981 11.109 12.463 1.00 0.00 C ATOM 302 CD GLU A 18 30.437 12.479 12.062 1.00 0.00 C ATOM 303 OE1 GLU A 18 29.279 12.674 11.700 1.00 0.00 O ATOM 304 OE2 GLU A 18 31.380 13.458 12.138 1.00 0.00 O ATOM 0 H GLU A 18 31.853 8.594 9.504 1.00 0.00 H new ATOM 0 HA GLU A 18 32.265 8.646 12.369 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.899 10.565 10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.197 10.161 10.691 1.00 0.00 H new ATOM 0 HG2 GLU A 18 30.313 10.655 13.195 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.949 11.233 12.949 1.00 0.00 H new ATOM 312 N TYR A 19 29.387 7.299 11.488 1.00 0.00 N ATOM 313 CA TYR A 19 28.410 6.296 12.021 1.00 0.00 C ATOM 314 C TYR A 19 29.056 5.089 12.785 1.00 0.00 C ATOM 315 O TYR A 19 28.637 4.795 13.905 1.00 0.00 O ATOM 316 CB TYR A 19 27.491 5.881 10.838 1.00 0.00 C ATOM 317 CG TYR A 19 26.535 4.690 11.058 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.284 4.860 11.655 1.00 0.00 C ATOM 319 CD2 TYR A 19 26.945 3.405 10.675 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.454 3.758 11.862 1.00 0.00 C ATOM 321 CE2 TYR A 19 26.106 2.311 10.870 1.00 0.00 C ATOM 322 CZ TYR A 19 24.862 2.490 11.462 1.00 0.00 C ATOM 323 OH TYR A 19 24.029 1.421 11.662 1.00 0.00 O ATOM 0 H TYR A 19 29.293 7.468 10.487 1.00 0.00 H new ATOM 0 HA TYR A 19 27.817 6.757 12.811 1.00 0.00 H new ATOM 0 HB2 TYR A 19 26.890 6.747 10.560 1.00 0.00 H new ATOM 0 HB3 TYR A 19 28.127 5.647 9.984 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.959 5.845 11.957 1.00 0.00 H new ATOM 0 HD2 TYR A 19 27.917 3.263 10.226 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.492 3.890 12.334 1.00 0.00 H new ATOM 0 HE2 TYR A 19 26.422 1.325 10.562 1.00 0.00 H new ATOM 0 HH TYR A 19 24.457 0.605 11.328 1.00 0.00 H new ATOM 333 N LEU A 20 30.071 4.415 12.215 1.00 0.00 N ATOM 334 CA LEU A 20 30.888 3.415 12.960 1.00 0.00 C ATOM 335 C LEU A 20 31.664 3.990 14.203 1.00 0.00 C ATOM 336 O LEU A 20 31.645 3.352 15.258 1.00 0.00 O ATOM 337 CB LEU A 20 31.797 2.667 11.947 1.00 0.00 C ATOM 338 CG LEU A 20 31.116 1.705 10.934 1.00 0.00 C ATOM 339 CD1 LEU A 20 32.109 1.314 9.827 1.00 0.00 C ATOM 340 CD2 LEU A 20 30.570 0.421 11.587 1.00 0.00 C ATOM 0 H LEU A 20 30.352 4.538 11.242 1.00 0.00 H new ATOM 0 HA LEU A 20 30.207 2.703 13.426 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.351 3.414 11.379 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.529 2.092 12.515 1.00 0.00 H new ATOM 0 HG LEU A 20 30.268 2.250 10.520 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.622 0.640 9.123 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.440 2.210 9.302 1.00 0.00 H new ATOM 0 HD13 LEU A 20 32.970 0.815 10.271 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.108 -0.206 10.825 1.00 0.00 H new ATOM 0 HD22 LEU A 20 31.388 -0.124 12.058 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.827 0.683 12.341 1.00 0.00 H new ATOM 352 N ARG A 21 32.254 5.207 14.143 1.00 0.00 N ATOM 353 CA ARG A 21 32.696 5.966 15.362 1.00 0.00 C ATOM 354 C ARG A 21 31.607 6.137 16.484 1.00 0.00 C ATOM 355 O ARG A 21 31.849 5.765 17.635 1.00 0.00 O ATOM 356 CB ARG A 21 33.264 7.331 14.886 1.00 0.00 C ATOM 357 CG ARG A 21 34.057 8.157 15.925 1.00 0.00 C ATOM 358 CD ARG A 21 34.187 9.641 15.530 1.00 0.00 C ATOM 359 NE ARG A 21 35.056 9.836 14.339 1.00 0.00 N ATOM 360 CZ ARG A 21 35.144 10.959 13.630 1.00 0.00 C ATOM 361 NH1 ARG A 21 34.507 12.073 13.922 1.00 0.00 N ATOM 362 NH2 ARG A 21 35.916 10.956 12.579 1.00 0.00 N ATOM 0 H ARG A 21 32.440 5.695 13.267 1.00 0.00 H new ATOM 0 HA ARG A 21 33.461 5.371 15.861 1.00 0.00 H new ATOM 0 HB2 ARG A 21 33.913 7.149 14.030 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.432 7.940 14.531 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.563 8.085 16.894 1.00 0.00 H new ATOM 0 HG3 ARG A 21 35.052 7.728 16.042 1.00 0.00 H new ATOM 0 HD2 ARG A 21 33.197 10.048 15.325 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.595 10.204 16.370 1.00 0.00 H new ATOM 0 HE ARG A 21 35.630 9.047 14.042 1.00 0.00 H new ATOM 0 HH11 ARG A 21 33.897 12.113 14.739 1.00 0.00 H new ATOM 0 HH12 ARG A 21 34.623 12.897 13.331 1.00 0.00 H new ATOM 0 HH21 ARG A 21 36.428 10.111 12.324 1.00 0.00 H new ATOM 0 HH22 ARG A 21 36.008 11.799 12.011 1.00 0.00 H new ATOM 376 N ALA A 22 30.401 6.629 16.139 1.00 0.00 N ATOM 377 CA ALA A 22 29.207 6.590 17.027 1.00 0.00 C ATOM 378 C ALA A 22 28.724 5.192 17.546 1.00 0.00 C ATOM 379 O ALA A 22 28.182 5.117 18.652 1.00 0.00 O ATOM 380 CB ALA A 22 28.092 7.307 16.246 1.00 0.00 C ATOM 0 H ALA A 22 30.220 7.067 15.236 1.00 0.00 H new ATOM 0 HA ALA A 22 29.486 7.074 17.963 1.00 0.00 H new ATOM 0 HB1 ALA A 22 27.179 7.316 16.841 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.397 8.332 16.034 1.00 0.00 H new ATOM 0 HB3 ALA A 22 27.909 6.782 15.309 1.00 0.00 H new ATOM 386 N LEU A 23 28.969 4.090 16.812 1.00 0.00 N ATOM 387 CA LEU A 23 28.791 2.709 17.345 1.00 0.00 C ATOM 388 C LEU A 23 29.979 2.158 18.216 1.00 0.00 C ATOM 389 O LEU A 23 29.979 0.976 18.567 1.00 0.00 O ATOM 390 CB LEU A 23 28.489 1.785 16.135 1.00 0.00 C ATOM 391 CG LEU A 23 27.134 1.997 15.406 1.00 0.00 C ATOM 392 CD1 LEU A 23 27.110 1.158 14.124 1.00 0.00 C ATOM 393 CD2 LEU A 23 25.917 1.640 16.281 1.00 0.00 C ATOM 0 H LEU A 23 29.292 4.121 15.845 1.00 0.00 H new ATOM 0 HA LEU A 23 27.964 2.733 18.054 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.289 1.910 15.405 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.530 0.752 16.479 1.00 0.00 H new ATOM 0 HG LEU A 23 27.056 3.059 15.173 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.160 1.305 13.611 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.927 1.467 13.472 1.00 0.00 H new ATOM 0 HD13 LEU A 23 27.226 0.104 14.377 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.000 1.809 15.716 1.00 0.00 H new ATOM 0 HD22 LEU A 23 25.974 0.592 16.574 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.914 2.266 17.173 1.00 0.00 H new ATOM 405 N ASP A 24 30.956 3.004 18.615 1.00 0.00 N ATOM 406 CA ASP A 24 32.188 2.594 19.361 1.00 0.00 C ATOM 407 C ASP A 24 33.163 1.634 18.581 1.00 0.00 C ATOM 408 O ASP A 24 33.761 0.731 19.172 1.00 0.00 O ATOM 409 CB ASP A 24 31.834 2.136 20.813 1.00 0.00 C ATOM 410 CG ASP A 24 31.274 3.189 21.778 1.00 0.00 C ATOM 411 OD1 ASP A 24 31.713 3.365 22.910 1.00 0.00 O ATOM 412 OD2 ASP A 24 30.229 3.883 21.241 1.00 0.00 O ATOM 0 H ASP A 24 30.919 4.006 18.430 1.00 0.00 H new ATOM 0 HA ASP A 24 32.801 3.490 19.453 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.107 1.327 20.741 1.00 0.00 H new ATOM 0 HB3 ASP A 24 32.735 1.716 21.261 1.00 0.00 H new ATOM 418 N VAL A 25 33.368 1.863 17.267 1.00 0.00 N ATOM 419 CA VAL A 25 34.246 0.996 16.413 1.00 0.00 C ATOM 420 C VAL A 25 35.661 1.662 16.215 1.00 0.00 C ATOM 421 O VAL A 25 35.824 2.887 16.231 1.00 0.00 O ATOM 422 CB VAL A 25 33.480 0.636 15.088 1.00 0.00 C ATOM 423 CG1 VAL A 25 34.291 -0.201 14.075 1.00 0.00 C ATOM 424 CG2 VAL A 25 32.150 -0.133 15.318 1.00 0.00 C ATOM 0 H VAL A 25 32.942 2.640 16.762 1.00 0.00 H new ATOM 0 HA VAL A 25 34.461 0.047 16.904 1.00 0.00 H new ATOM 0 HB VAL A 25 33.288 1.627 14.677 1.00 0.00 H new ATOM 0 HG11 VAL A 25 33.680 -0.399 13.195 1.00 0.00 H new ATOM 0 HG12 VAL A 25 35.184 0.350 13.780 1.00 0.00 H new ATOM 0 HG13 VAL A 25 34.583 -1.146 14.534 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.681 -0.345 14.357 1.00 0.00 H new ATOM 0 HG22 VAL A 25 32.356 -1.070 15.835 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.478 0.475 15.923 1.00 0.00 H new ATOM 434 N ASN A 26 36.703 0.832 16.026 1.00 0.00 N ATOM 435 CA ASN A 26 38.110 1.278 15.834 1.00 0.00 C ATOM 436 C ASN A 26 38.437 1.904 14.434 1.00 0.00 C ATOM 437 O ASN A 26 37.808 1.574 13.423 1.00 0.00 O ATOM 438 CB ASN A 26 39.006 0.041 16.147 1.00 0.00 C ATOM 439 CG ASN A 26 38.779 -1.223 15.293 1.00 0.00 C ATOM 440 OD1 ASN A 26 37.797 -1.943 15.434 1.00 0.00 O ATOM 441 ND2 ASN A 26 39.653 -1.511 14.371 1.00 0.00 N ATOM 0 H ASN A 26 36.598 -0.182 16.001 1.00 0.00 H new ATOM 0 HA ASN A 26 38.305 2.111 16.510 1.00 0.00 H new ATOM 0 HB2 ASN A 26 40.048 0.341 16.037 1.00 0.00 H new ATOM 0 HB3 ASN A 26 38.860 -0.227 17.193 1.00 0.00 H new ATOM 0 HD21 ASN A 26 39.516 -2.328 13.776 1.00 0.00 H new ATOM 0 HD22 ASN A 26 40.474 -0.919 14.244 1.00 0.00 H new ATOM 448 N VAL A 27 39.470 2.773 14.380 1.00 0.00 N ATOM 449 CA VAL A 27 39.867 3.528 13.139 1.00 0.00 C ATOM 450 C VAL A 27 40.141 2.635 11.876 1.00 0.00 C ATOM 451 O VAL A 27 39.649 2.972 10.799 1.00 0.00 O ATOM 452 CB VAL A 27 41.047 4.534 13.418 1.00 0.00 C ATOM 453 CG1 VAL A 27 41.434 5.400 12.187 1.00 0.00 C ATOM 454 CG2 VAL A 27 40.778 5.537 14.567 1.00 0.00 C ATOM 0 H VAL A 27 40.060 2.981 15.186 1.00 0.00 H new ATOM 0 HA VAL A 27 38.982 4.107 12.874 1.00 0.00 H new ATOM 0 HB VAL A 27 41.855 3.855 13.691 1.00 0.00 H new ATOM 0 HG11 VAL A 27 42.253 6.068 12.455 1.00 0.00 H new ATOM 0 HG12 VAL A 27 41.748 4.751 11.370 1.00 0.00 H new ATOM 0 HG13 VAL A 27 40.573 5.990 11.872 1.00 0.00 H new ATOM 0 HG21 VAL A 27 41.642 6.190 14.689 1.00 0.00 H new ATOM 0 HG22 VAL A 27 39.900 6.137 14.328 1.00 0.00 H new ATOM 0 HG23 VAL A 27 40.602 4.990 15.494 1.00 0.00 H new ATOM 464 N ALA A 28 40.892 1.521 11.988 1.00 0.00 N ATOM 465 CA ALA A 28 41.133 0.596 10.842 1.00 0.00 C ATOM 466 C ALA A 28 39.861 -0.080 10.229 1.00 0.00 C ATOM 467 O ALA A 28 39.672 -0.015 9.011 1.00 0.00 O ATOM 468 CB ALA A 28 42.195 -0.428 11.286 1.00 0.00 C ATOM 0 H ALA A 28 41.345 1.233 12.855 1.00 0.00 H new ATOM 0 HA ALA A 28 41.491 1.196 10.006 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.395 -1.122 10.469 1.00 0.00 H new ATOM 0 HB2 ALA A 28 43.114 0.094 11.553 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.828 -0.982 12.150 1.00 0.00 H new ATOM 474 N LEU A 29 38.962 -0.654 11.056 1.00 0.00 N ATOM 475 CA LEU A 29 37.605 -1.092 10.611 1.00 0.00 C ATOM 476 C LEU A 29 36.734 0.070 10.013 1.00 0.00 C ATOM 477 O LEU A 29 36.245 -0.081 8.895 1.00 0.00 O ATOM 478 CB LEU A 29 36.928 -1.837 11.804 1.00 0.00 C ATOM 479 CG LEU A 29 35.761 -2.833 11.544 1.00 0.00 C ATOM 480 CD1 LEU A 29 34.566 -2.275 10.753 1.00 0.00 C ATOM 481 CD2 LEU A 29 36.248 -4.127 10.875 1.00 0.00 C ATOM 0 H LEU A 29 39.145 -0.829 12.044 1.00 0.00 H new ATOM 0 HA LEU A 29 37.704 -1.778 9.770 1.00 0.00 H new ATOM 0 HB2 LEU A 29 37.710 -2.386 12.328 1.00 0.00 H new ATOM 0 HB3 LEU A 29 36.557 -1.077 12.491 1.00 0.00 H new ATOM 0 HG LEU A 29 35.389 -3.039 12.548 1.00 0.00 H new ATOM 0 HD11 LEU A 29 33.814 -3.055 10.631 1.00 0.00 H new ATOM 0 HD12 LEU A 29 34.132 -1.434 11.294 1.00 0.00 H new ATOM 0 HD13 LEU A 29 34.903 -1.940 9.772 1.00 0.00 H new ATOM 0 HD21 LEU A 29 35.401 -4.793 10.712 1.00 0.00 H new ATOM 0 HD22 LEU A 29 36.712 -3.889 9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 29 36.977 -4.618 11.520 1.00 0.00 H new ATOM 493 N ARG A 30 36.598 1.234 10.690 1.00 0.00 N ATOM 494 CA ARG A 30 36.017 2.479 10.091 1.00 0.00 C ATOM 495 C ARG A 30 36.582 2.906 8.688 1.00 0.00 C ATOM 496 O ARG A 30 35.810 3.070 7.738 1.00 0.00 O ATOM 497 CB ARG A 30 36.204 3.631 11.116 1.00 0.00 C ATOM 498 CG ARG A 30 35.260 3.683 12.337 1.00 0.00 C ATOM 499 CD ARG A 30 35.806 4.471 13.541 1.00 0.00 C ATOM 500 NE ARG A 30 36.208 5.866 13.222 1.00 0.00 N ATOM 501 CZ ARG A 30 36.965 6.628 14.004 1.00 0.00 C ATOM 502 NH1 ARG A 30 37.308 6.317 15.237 1.00 0.00 N ATOM 503 NH2 ARG A 30 37.386 7.760 13.517 1.00 0.00 N ATOM 0 H ARG A 30 36.884 1.346 11.663 1.00 0.00 H new ATOM 0 HA ARG A 30 34.969 2.258 9.889 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.227 3.582 11.488 1.00 0.00 H new ATOM 0 HB3 ARG A 30 36.105 4.574 10.578 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.314 4.128 12.028 1.00 0.00 H new ATOM 0 HG3 ARG A 30 35.044 2.663 12.656 1.00 0.00 H new ATOM 0 HD2 ARG A 30 35.046 4.493 14.322 1.00 0.00 H new ATOM 0 HD3 ARG A 30 36.667 3.941 13.949 1.00 0.00 H new ATOM 0 HE ARG A 30 35.880 6.266 12.343 1.00 0.00 H new ATOM 0 HH11 ARG A 30 36.988 5.441 15.650 1.00 0.00 H new ATOM 0 HH12 ARG A 30 37.893 6.953 15.779 1.00 0.00 H new ATOM 0 HH21 ARG A 30 37.132 8.033 12.567 1.00 0.00 H new ATOM 0 HH22 ARG A 30 37.970 8.374 14.085 1.00 0.00 H new ATOM 517 N LYS A 31 37.912 3.080 8.564 1.00 0.00 N ATOM 518 CA LYS A 31 38.602 3.399 7.285 1.00 0.00 C ATOM 519 C LYS A 31 38.415 2.350 6.140 1.00 0.00 C ATOM 520 O LYS A 31 38.022 2.722 5.032 1.00 0.00 O ATOM 521 CB LYS A 31 40.099 3.636 7.650 1.00 0.00 C ATOM 522 CG LYS A 31 40.924 4.476 6.655 1.00 0.00 C ATOM 523 CD LYS A 31 40.549 5.972 6.678 1.00 0.00 C ATOM 524 CE LYS A 31 41.614 6.847 6.003 1.00 0.00 C ATOM 525 NZ LYS A 31 41.206 8.265 6.050 1.00 0.00 N ATOM 0 H LYS A 31 38.551 3.003 9.355 1.00 0.00 H new ATOM 0 HA LYS A 31 38.146 4.287 6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 31 40.140 4.123 8.624 1.00 0.00 H new ATOM 0 HB3 LYS A 31 40.582 2.665 7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 31 41.983 4.368 6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 31 40.777 4.085 5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 31 39.593 6.113 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 31 40.416 6.296 7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 31 42.573 6.719 6.505 1.00 0.00 H new ATOM 0 HE3 LYS A 31 41.752 6.534 4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 41.933 8.851 5.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 40.301 8.382 5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 41.097 8.562 7.041 1.00 0.00 H new ATOM 538 N ILE A 32 38.656 1.051 6.410 1.00 0.00 N ATOM 539 CA ILE A 32 38.456 -0.046 5.415 1.00 0.00 C ATOM 540 C ILE A 32 36.939 -0.265 5.066 1.00 0.00 C ATOM 541 O ILE A 32 36.624 -0.342 3.879 1.00 0.00 O ATOM 542 CB ILE A 32 39.221 -1.352 5.845 1.00 0.00 C ATOM 543 CG1 ILE A 32 40.745 -1.156 6.134 1.00 0.00 C ATOM 544 CG2 ILE A 32 39.078 -2.482 4.787 1.00 0.00 C ATOM 545 CD1 ILE A 32 41.356 -2.209 7.077 1.00 0.00 C ATOM 0 H ILE A 32 38.993 0.724 7.316 1.00 0.00 H new ATOM 0 HA ILE A 32 38.909 0.263 4.473 1.00 0.00 H new ATOM 0 HB ILE A 32 38.738 -1.630 6.782 1.00 0.00 H new ATOM 0 HG12 ILE A 32 41.287 -1.175 5.188 1.00 0.00 H new ATOM 0 HG13 ILE A 32 40.896 -0.167 6.567 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.621 -3.366 5.123 1.00 0.00 H new ATOM 0 HG22 ILE A 32 38.024 -2.730 4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.489 -2.144 3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 32 42.415 -1.997 7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 32 40.844 -2.177 8.039 1.00 0.00 H new ATOM 0 HD13 ILE A 32 41.242 -3.200 6.638 1.00 0.00 H new ATOM 557 N ALA A 33 35.998 -0.316 6.032 1.00 0.00 N ATOM 558 CA ALA A 33 34.538 -0.320 5.739 1.00 0.00 C ATOM 559 C ALA A 33 33.968 0.888 4.923 1.00 0.00 C ATOM 560 O ALA A 33 33.153 0.656 4.027 1.00 0.00 O ATOM 561 CB ALA A 33 33.803 -0.529 7.073 1.00 0.00 C ATOM 0 H ALA A 33 36.218 -0.355 7.027 1.00 0.00 H new ATOM 0 HA ALA A 33 34.361 -1.139 5.042 1.00 0.00 H new ATOM 0 HB1 ALA A 33 32.727 -0.538 6.898 1.00 0.00 H new ATOM 0 HB2 ALA A 33 34.107 -1.480 7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 33 34.053 0.282 7.757 1.00 0.00 H new ATOM 567 N ASN A 34 34.405 2.146 5.157 1.00 0.00 N ATOM 568 CA ASN A 34 34.121 3.276 4.217 1.00 0.00 C ATOM 569 C ASN A 34 34.787 3.187 2.794 1.00 0.00 C ATOM 570 O ASN A 34 34.209 3.704 1.836 1.00 0.00 O ATOM 571 CB ASN A 34 34.389 4.628 4.941 1.00 0.00 C ATOM 572 CG ASN A 34 33.557 5.827 4.452 1.00 0.00 C ATOM 573 OD1 ASN A 34 32.611 6.266 5.098 1.00 0.00 O ATOM 574 ND2 ASN A 34 33.856 6.405 3.315 1.00 0.00 N ATOM 0 H ASN A 34 34.950 2.412 5.977 1.00 0.00 H new ATOM 0 HA ASN A 34 33.064 3.199 3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.203 4.491 6.006 1.00 0.00 H new ATOM 0 HB3 ASN A 34 35.445 4.874 4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 34 33.307 7.200 2.987 1.00 0.00 H new ATOM 0 HD22 ASN A 34 34.638 6.060 2.758 1.00 0.00 H new ATOM 581 N LEU A 35 35.951 2.532 2.635 1.00 0.00 N ATOM 582 CA LEU A 35 36.482 2.127 1.296 1.00 0.00 C ATOM 583 C LEU A 35 35.740 0.927 0.602 1.00 0.00 C ATOM 584 O LEU A 35 35.599 0.935 -0.624 1.00 0.00 O ATOM 585 CB LEU A 35 38.008 1.836 1.420 1.00 0.00 C ATOM 586 CG LEU A 35 38.945 3.036 1.734 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.343 2.536 2.136 1.00 0.00 C ATOM 588 CD2 LEU A 35 39.078 4.004 0.544 1.00 0.00 C ATOM 0 H LEU A 35 36.553 2.265 3.414 1.00 0.00 H new ATOM 0 HA LEU A 35 36.293 2.971 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.145 1.089 2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.341 1.385 0.485 1.00 0.00 H new ATOM 0 HG LEU A 35 38.490 3.579 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 35 40.986 3.389 2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 35 40.263 1.907 3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 35 40.771 1.957 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 35 39.743 4.824 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 35 39.489 3.472 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 35 38.096 4.402 0.287 1.00 0.00 H new ATOM 600 N LEU A 36 35.290 -0.097 1.353 1.00 0.00 N ATOM 601 CA LEU A 36 34.655 -1.324 0.790 1.00 0.00 C ATOM 602 C LEU A 36 33.252 -1.069 0.152 1.00 0.00 C ATOM 603 O LEU A 36 32.420 -0.339 0.699 1.00 0.00 O ATOM 604 CB LEU A 36 34.530 -2.408 1.908 1.00 0.00 C ATOM 605 CG LEU A 36 35.808 -3.196 2.303 1.00 0.00 C ATOM 606 CD1 LEU A 36 35.549 -4.018 3.580 1.00 0.00 C ATOM 607 CD2 LEU A 36 36.283 -4.150 1.191 1.00 0.00 C ATOM 0 H LEU A 36 35.353 -0.105 2.371 1.00 0.00 H new ATOM 0 HA LEU A 36 35.305 -1.667 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 36 34.147 -1.921 2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 36 33.777 -3.130 1.591 1.00 0.00 H new ATOM 0 HG LEU A 36 36.591 -2.456 2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 36 36.452 -4.567 3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 36 35.276 -3.348 4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 36 34.736 -4.722 3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 36 37.179 -4.675 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 36 35.498 -4.874 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 36 36.508 -3.577 0.292 1.00 0.00 H new ATOM 619 N LYS A 37 32.973 -1.749 -0.973 1.00 0.00 N ATOM 620 CA LYS A 37 31.659 -1.651 -1.672 1.00 0.00 C ATOM 621 C LYS A 37 30.893 -3.023 -1.570 1.00 0.00 C ATOM 622 O LYS A 37 30.911 -3.781 -2.547 1.00 0.00 O ATOM 623 CB LYS A 37 31.899 -1.165 -3.136 1.00 0.00 C ATOM 624 CG LYS A 37 32.604 0.202 -3.333 1.00 0.00 C ATOM 625 CD LYS A 37 31.774 1.425 -2.887 1.00 0.00 C ATOM 626 CE LYS A 37 32.565 2.745 -2.870 1.00 0.00 C ATOM 627 NZ LYS A 37 33.408 2.859 -1.659 1.00 0.00 N ATOM 0 H LYS A 37 33.636 -2.377 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 37 31.013 -0.914 -1.195 1.00 0.00 H new ATOM 0 HB2 LYS A 37 32.489 -1.924 -3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.932 -1.120 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 37 33.542 0.195 -2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.857 0.316 -4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.919 1.534 -3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 37 31.378 1.238 -1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 37 33.194 2.805 -3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 37 31.872 3.586 -2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 33.965 3.736 -1.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 32.802 2.878 -0.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 34.051 2.043 -1.605 1.00 0.00 H new ATOM 640 N PRO A 38 30.214 -3.407 -0.441 1.00 0.00 N ATOM 641 CA PRO A 38 29.551 -4.735 -0.318 1.00 0.00 C ATOM 642 C PRO A 38 28.210 -4.898 -1.102 1.00 0.00 C ATOM 643 O PRO A 38 27.624 -3.947 -1.630 1.00 0.00 O ATOM 644 CB PRO A 38 29.416 -4.867 1.213 1.00 0.00 C ATOM 645 CG PRO A 38 29.288 -3.442 1.739 1.00 0.00 C ATOM 646 CD PRO A 38 30.227 -2.653 0.830 1.00 0.00 C ATOM 0 HA PRO A 38 30.123 -5.537 -0.784 1.00 0.00 H new ATOM 0 HB2 PRO A 38 28.543 -5.463 1.479 1.00 0.00 H new ATOM 0 HB3 PRO A 38 30.285 -5.366 1.641 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.263 -3.078 1.673 1.00 0.00 H new ATOM 0 HG3 PRO A 38 29.585 -3.370 2.785 1.00 0.00 H new ATOM 0 HD2 PRO A 38 29.880 -1.629 0.690 1.00 0.00 H new ATOM 0 HD3 PRO A 38 31.232 -2.594 1.249 1.00 0.00 H new ATOM 654 N ASP A 39 27.748 -6.153 -1.187 1.00 0.00 N ATOM 655 CA ASP A 39 26.551 -6.522 -1.991 1.00 0.00 C ATOM 656 C ASP A 39 25.354 -6.879 -1.062 1.00 0.00 C ATOM 657 O ASP A 39 25.473 -7.740 -0.187 1.00 0.00 O ATOM 658 CB ASP A 39 26.901 -7.708 -2.924 1.00 0.00 C ATOM 659 CG ASP A 39 27.934 -7.411 -4.012 1.00 0.00 C ATOM 660 OD1 ASP A 39 29.088 -7.823 -3.988 1.00 0.00 O ATOM 661 OD2 ASP A 39 27.428 -6.641 -5.014 1.00 0.00 O ATOM 0 H ASP A 39 28.182 -6.943 -0.709 1.00 0.00 H new ATOM 0 HA ASP A 39 26.253 -5.669 -2.601 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.270 -8.531 -2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 39 25.985 -8.053 -3.403 1.00 0.00 H new ATOM 667 N LYS A 40 24.188 -6.248 -1.273 1.00 0.00 N ATOM 668 CA LYS A 40 22.935 -6.625 -0.566 1.00 0.00 C ATOM 669 C LYS A 40 22.084 -7.556 -1.472 1.00 0.00 C ATOM 670 O LYS A 40 21.567 -7.129 -2.505 1.00 0.00 O ATOM 671 CB LYS A 40 22.149 -5.367 -0.096 1.00 0.00 C ATOM 672 CG LYS A 40 22.509 -4.922 1.340 1.00 0.00 C ATOM 673 CD LYS A 40 21.668 -3.733 1.851 1.00 0.00 C ATOM 674 CE LYS A 40 21.856 -3.404 3.344 1.00 0.00 C ATOM 675 NZ LYS A 40 23.217 -2.925 3.669 1.00 0.00 N ATOM 0 H LYS A 40 24.078 -5.473 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 40 23.187 -7.178 0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 40 22.347 -4.545 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 40 21.080 -5.575 -0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 40 22.376 -5.766 2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 40 23.564 -4.650 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 40 21.919 -2.849 1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 40 20.615 -3.947 1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 40 21.131 -2.644 3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 40 21.640 -4.294 3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 23.399 -3.058 4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 23.915 -3.464 3.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 23.295 -1.915 3.433 1.00 0.00 H new ATOM 688 N GLU A 41 21.908 -8.821 -1.065 1.00 0.00 N ATOM 689 CA GLU A 41 20.873 -9.712 -1.648 1.00 0.00 C ATOM 690 C GLU A 41 19.629 -9.725 -0.710 1.00 0.00 C ATOM 691 O GLU A 41 19.670 -10.313 0.377 1.00 0.00 O ATOM 692 CB GLU A 41 21.479 -11.116 -1.894 1.00 0.00 C ATOM 693 CG GLU A 41 20.546 -12.073 -2.680 1.00 0.00 C ATOM 694 CD GLU A 41 21.019 -13.522 -2.654 1.00 0.00 C ATOM 695 OE1 GLU A 41 21.820 -13.992 -3.457 1.00 0.00 O ATOM 696 OE2 GLU A 41 20.451 -14.220 -1.628 1.00 0.00 O ATOM 0 H GLU A 41 22.467 -9.259 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 41 20.537 -9.347 -2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.415 -11.006 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 41 21.723 -11.569 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 41 19.541 -12.017 -2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.479 -11.737 -3.715 1.00 0.00 H new ATOM 704 N ILE A 42 18.524 -9.088 -1.136 1.00 0.00 N ATOM 705 CA ILE A 42 17.256 -9.085 -0.347 1.00 0.00 C ATOM 706 C ILE A 42 16.311 -10.204 -0.901 1.00 0.00 C ATOM 707 O ILE A 42 15.862 -10.151 -2.052 1.00 0.00 O ATOM 708 CB ILE A 42 16.563 -7.676 -0.244 1.00 0.00 C ATOM 709 CG1 ILE A 42 17.425 -6.560 0.422 1.00 0.00 C ATOM 710 CG2 ILE A 42 15.236 -7.773 0.556 1.00 0.00 C ATOM 711 CD1 ILE A 42 18.267 -5.739 -0.557 1.00 0.00 C ATOM 0 H ILE A 42 18.472 -8.570 -2.013 1.00 0.00 H new ATOM 0 HA ILE A 42 17.503 -9.312 0.690 1.00 0.00 H new ATOM 0 HB ILE A 42 16.399 -7.389 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 42 16.765 -5.886 0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.088 -7.020 1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 42 14.774 -6.788 0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 42 14.558 -8.463 0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.444 -8.137 1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.834 -4.987 -0.008 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.956 -6.398 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.612 -5.246 -1.276 1.00 0.00 H new ATOM 723 N VAL A 43 15.952 -11.162 -0.029 1.00 0.00 N ATOM 724 CA VAL A 43 14.847 -12.134 -0.288 1.00 0.00 C ATOM 725 C VAL A 43 13.585 -11.610 0.481 1.00 0.00 C ATOM 726 O VAL A 43 13.491 -11.768 1.702 1.00 0.00 O ATOM 727 CB VAL A 43 15.273 -13.588 0.126 1.00 0.00 C ATOM 728 CG1 VAL A 43 14.160 -14.638 -0.103 1.00 0.00 C ATOM 729 CG2 VAL A 43 16.543 -14.109 -0.591 1.00 0.00 C ATOM 0 H VAL A 43 16.409 -11.294 0.873 1.00 0.00 H new ATOM 0 HA VAL A 43 14.611 -12.202 -1.350 1.00 0.00 H new ATOM 0 HB VAL A 43 15.481 -13.479 1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 43 14.518 -15.621 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 43 13.282 -14.372 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 43 13.894 -14.662 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.766 -15.119 -0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.374 -14.121 -1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 43 17.384 -13.454 -0.363 1.00 0.00 H new ATOM 739 N GLN A 44 12.632 -10.979 -0.232 1.00 0.00 N ATOM 740 CA GLN A 44 11.394 -10.404 0.375 1.00 0.00 C ATOM 741 C GLN A 44 10.152 -11.307 0.073 1.00 0.00 C ATOM 742 O GLN A 44 9.715 -11.422 -1.075 1.00 0.00 O ATOM 743 CB GLN A 44 11.278 -8.944 -0.154 1.00 0.00 C ATOM 744 CG GLN A 44 10.078 -8.090 0.339 1.00 0.00 C ATOM 745 CD GLN A 44 8.697 -8.340 -0.283 1.00 0.00 C ATOM 746 OE1 GLN A 44 7.747 -8.720 0.388 1.00 0.00 O ATOM 747 NE2 GLN A 44 8.516 -8.120 -1.562 1.00 0.00 N ATOM 0 H GLN A 44 12.689 -10.849 -1.242 1.00 0.00 H new ATOM 0 HA GLN A 44 11.440 -10.376 1.464 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.195 -8.418 0.111 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.236 -8.984 -1.242 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.988 -8.235 1.416 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.329 -7.042 0.179 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.294 -7.803 -2.140 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.597 -8.266 -1.980 1.00 0.00 H new ATOM 756 N ASP A 45 9.568 -11.917 1.117 1.00 0.00 N ATOM 757 CA ASP A 45 8.353 -12.772 1.005 1.00 0.00 C ATOM 758 C ASP A 45 7.217 -12.238 1.946 1.00 0.00 C ATOM 759 O ASP A 45 6.907 -12.859 2.972 1.00 0.00 O ATOM 760 CB ASP A 45 8.834 -14.221 1.316 1.00 0.00 C ATOM 761 CG ASP A 45 7.812 -15.347 1.139 1.00 0.00 C ATOM 762 OD1 ASP A 45 7.949 -16.255 0.325 1.00 0.00 O ATOM 763 OD2 ASP A 45 6.758 -15.239 2.003 1.00 0.00 O ATOM 0 H ASP A 45 9.919 -11.837 2.071 1.00 0.00 H new ATOM 0 HA ASP A 45 7.900 -12.754 0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.690 -14.438 0.677 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.190 -14.246 2.346 1.00 0.00 H new ATOM 769 N GLY A 46 6.561 -11.123 1.574 1.00 0.00 N ATOM 770 CA GLY A 46 5.425 -10.555 2.352 1.00 0.00 C ATOM 771 C GLY A 46 5.852 -9.794 3.624 1.00 0.00 C ATOM 772 O GLY A 46 6.311 -8.652 3.546 1.00 0.00 O ATOM 0 H GLY A 46 6.794 -10.590 0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.860 -9.879 1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.751 -11.364 2.634 1.00 0.00 H new ATOM 776 N ASP A 47 5.739 -10.452 4.788 1.00 0.00 N ATOM 777 CA ASP A 47 6.459 -10.015 6.020 1.00 0.00 C ATOM 778 C ASP A 47 7.929 -10.544 6.158 1.00 0.00 C ATOM 779 O ASP A 47 8.757 -9.839 6.730 1.00 0.00 O ATOM 780 CB ASP A 47 5.590 -10.265 7.286 1.00 0.00 C ATOM 781 CG ASP A 47 5.415 -11.706 7.785 1.00 0.00 C ATOM 782 OD1 ASP A 47 5.468 -12.703 7.070 1.00 0.00 O ATOM 783 OD2 ASP A 47 5.206 -11.758 9.129 1.00 0.00 O ATOM 0 H ASP A 47 5.163 -11.284 4.914 1.00 0.00 H new ATOM 0 HA ASP A 47 6.600 -8.939 5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.018 -9.682 8.102 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.597 -9.859 7.091 1.00 0.00 H new ATOM 789 N HIS A 48 8.268 -11.762 5.692 1.00 0.00 N ATOM 790 CA HIS A 48 9.615 -12.358 5.893 1.00 0.00 C ATOM 791 C HIS A 48 10.671 -11.766 4.911 1.00 0.00 C ATOM 792 O HIS A 48 10.590 -11.953 3.695 1.00 0.00 O ATOM 793 CB HIS A 48 9.494 -13.904 5.817 1.00 0.00 C ATOM 794 CG HIS A 48 10.743 -14.702 6.216 1.00 0.00 C ATOM 795 ND1 HIS A 48 11.080 -15.903 5.609 1.00 0.00 N ATOM 796 CD2 HIS A 48 11.683 -14.376 7.219 1.00 0.00 C ATOM 797 CE1 HIS A 48 12.221 -16.195 6.312 1.00 0.00 C ATOM 798 NE2 HIS A 48 12.665 -15.344 7.288 1.00 0.00 N ATOM 0 H HIS A 48 7.627 -12.360 5.170 1.00 0.00 H new ATOM 0 HA HIS A 48 9.988 -12.096 6.883 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.669 -14.215 6.458 1.00 0.00 H new ATOM 0 HB3 HIS A 48 9.225 -14.177 4.797 1.00 0.00 H new ATOM 0 HD2 HIS A 48 11.640 -13.495 7.843 1.00 0.00 H new ATOM 0 HE1 HIS A 48 12.771 -17.099 6.095 1.00 0.00 H new ATOM 0 HE2 HIS A 48 13.485 -15.407 7.892 1.00 0.00 H new ATOM 806 N MET A 49 11.656 -11.046 5.462 1.00 0.00 N ATOM 807 CA MET A 49 12.681 -10.330 4.673 1.00 0.00 C ATOM 808 C MET A 49 14.098 -10.716 5.184 1.00 0.00 C ATOM 809 O MET A 49 14.454 -10.476 6.345 1.00 0.00 O ATOM 810 CB MET A 49 12.365 -8.819 4.760 1.00 0.00 C ATOM 811 CG MET A 49 13.107 -7.945 3.732 1.00 0.00 C ATOM 812 SD MET A 49 12.785 -6.199 4.049 1.00 0.00 S ATOM 813 CE MET A 49 11.072 -6.028 3.511 1.00 0.00 C ATOM 0 H MET A 49 11.770 -10.940 6.470 1.00 0.00 H new ATOM 0 HA MET A 49 12.665 -10.611 3.620 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.292 -8.678 4.629 1.00 0.00 H new ATOM 0 HB3 MET A 49 12.613 -8.467 5.761 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.178 -8.140 3.784 1.00 0.00 H new ATOM 0 HG3 MET A 49 12.785 -8.204 2.724 1.00 0.00 H new ATOM 0 HE1 MET A 49 11.012 -5.282 2.718 1.00 0.00 H new ATOM 0 HE2 MET A 49 10.711 -6.986 3.136 1.00 0.00 H new ATOM 0 HE3 MET A 49 10.456 -5.713 4.353 1.00 0.00 H new ATOM 823 N ILE A 50 14.906 -11.317 4.296 1.00 0.00 N ATOM 824 CA ILE A 50 16.321 -11.674 4.605 1.00 0.00 C ATOM 825 C ILE A 50 17.217 -10.668 3.818 1.00 0.00 C ATOM 826 O ILE A 50 17.402 -10.816 2.605 1.00 0.00 O ATOM 827 CB ILE A 50 16.644 -13.187 4.321 1.00 0.00 C ATOM 828 CG1 ILE A 50 15.673 -14.195 5.014 1.00 0.00 C ATOM 829 CG2 ILE A 50 18.103 -13.519 4.730 1.00 0.00 C ATOM 830 CD1 ILE A 50 15.768 -15.650 4.519 1.00 0.00 C ATOM 0 H ILE A 50 14.613 -11.571 3.353 1.00 0.00 H new ATOM 0 HA ILE A 50 16.523 -11.581 5.672 1.00 0.00 H new ATOM 0 HB ILE A 50 16.507 -13.311 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.866 -14.181 6.087 1.00 0.00 H new ATOM 0 HG13 ILE A 50 14.651 -13.846 4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.308 -14.570 4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 50 18.792 -12.897 4.158 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.236 -13.323 5.794 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.053 -16.267 5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.542 -15.687 3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 50 16.776 -16.027 4.689 1.00 0.00 H new ATOM 842 N ILE A 51 17.785 -9.663 4.513 1.00 0.00 N ATOM 843 CA ILE A 51 18.741 -8.691 3.900 1.00 0.00 C ATOM 844 C ILE A 51 20.181 -9.278 4.079 1.00 0.00 C ATOM 845 O ILE A 51 20.782 -9.143 5.151 1.00 0.00 O ATOM 846 CB ILE A 51 18.574 -7.243 4.500 1.00 0.00 C ATOM 847 CG1 ILE A 51 17.133 -6.657 4.367 1.00 0.00 C ATOM 848 CG2 ILE A 51 19.600 -6.250 3.889 1.00 0.00 C ATOM 849 CD1 ILE A 51 16.873 -5.328 5.104 1.00 0.00 C ATOM 0 H ILE A 51 17.604 -9.494 5.503 1.00 0.00 H new ATOM 0 HA ILE A 51 18.536 -8.566 2.837 1.00 0.00 H new ATOM 0 HB ILE A 51 18.768 -7.362 5.566 1.00 0.00 H new ATOM 0 HG12 ILE A 51 16.918 -6.511 3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 51 16.425 -7.399 4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 51 19.455 -5.262 4.326 1.00 0.00 H new ATOM 0 HG22 ILE A 51 20.612 -6.596 4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.454 -6.194 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.841 -5.017 4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.047 -5.464 6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 51 17.547 -4.562 4.721 1.00 0.00 H new ATOM 861 N ARG A 52 20.743 -9.911 3.034 1.00 0.00 N ATOM 862 CA ARG A 52 22.119 -10.477 3.088 1.00 0.00 C ATOM 863 C ARG A 52 23.168 -9.415 2.645 1.00 0.00 C ATOM 864 O ARG A 52 23.429 -9.255 1.450 1.00 0.00 O ATOM 865 CB ARG A 52 22.223 -11.777 2.244 1.00 0.00 C ATOM 866 CG ARG A 52 21.363 -12.966 2.724 1.00 0.00 C ATOM 867 CD ARG A 52 21.717 -14.295 2.036 1.00 0.00 C ATOM 868 NE ARG A 52 20.931 -15.393 2.661 1.00 0.00 N ATOM 869 CZ ARG A 52 19.888 -16.018 2.115 1.00 0.00 C ATOM 870 NH1 ARG A 52 19.451 -15.815 0.894 1.00 0.00 N ATOM 871 NH2 ARG A 52 19.261 -16.897 2.845 1.00 0.00 N ATOM 0 H ARG A 52 20.273 -10.048 2.139 1.00 0.00 H new ATOM 0 HA ARG A 52 22.338 -10.746 4.121 1.00 0.00 H new ATOM 0 HB2 ARG A 52 21.943 -11.543 1.217 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.266 -12.093 2.226 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.484 -13.080 3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.312 -12.741 2.543 1.00 0.00 H new ATOM 0 HD2 ARG A 52 21.498 -14.236 0.970 1.00 0.00 H new ATOM 0 HD3 ARG A 52 22.784 -14.495 2.132 1.00 0.00 H new ATOM 0 HE ARG A 52 21.216 -15.695 3.592 1.00 0.00 H new ATOM 0 HH11 ARG A 52 19.918 -15.138 0.291 1.00 0.00 H new ATOM 0 HH12 ARG A 52 18.644 -16.334 0.548 1.00 0.00 H new ATOM 0 HH21 ARG A 52 19.573 -17.085 3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.458 -17.397 2.464 1.00 0.00 H new ATOM 885 N THR A 53 23.779 -8.713 3.615 1.00 0.00 N ATOM 886 CA THR A 53 24.840 -7.695 3.351 1.00 0.00 C ATOM 887 C THR A 53 26.230 -8.411 3.327 1.00 0.00 C ATOM 888 O THR A 53 26.759 -8.824 4.365 1.00 0.00 O ATOM 889 CB THR A 53 24.763 -6.543 4.400 1.00 0.00 C ATOM 890 OG1 THR A 53 23.465 -5.962 4.433 1.00 0.00 O ATOM 891 CG2 THR A 53 25.726 -5.375 4.138 1.00 0.00 C ATOM 0 H THR A 53 23.560 -8.826 4.605 1.00 0.00 H new ATOM 0 HA THR A 53 24.689 -7.227 2.378 1.00 0.00 H new ATOM 0 HB THR A 53 25.033 -7.034 5.335 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.445 -5.244 5.100 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.604 -4.621 4.916 1.00 0.00 H new ATOM 0 HG22 THR A 53 26.753 -5.741 4.146 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.506 -4.933 3.166 1.00 0.00 H new ATOM 899 N LEU A 54 26.783 -8.587 2.121 1.00 0.00 N ATOM 900 CA LEU A 54 27.895 -9.539 1.854 1.00 0.00 C ATOM 901 C LEU A 54 29.220 -8.738 1.653 1.00 0.00 C ATOM 902 O LEU A 54 29.338 -7.952 0.705 1.00 0.00 O ATOM 903 CB LEU A 54 27.510 -10.377 0.598 1.00 0.00 C ATOM 904 CG LEU A 54 26.218 -11.247 0.689 1.00 0.00 C ATOM 905 CD1 LEU A 54 25.608 -11.474 -0.706 1.00 0.00 C ATOM 906 CD2 LEU A 54 26.470 -12.597 1.379 1.00 0.00 C ATOM 0 H LEU A 54 26.478 -8.076 1.292 1.00 0.00 H new ATOM 0 HA LEU A 54 28.056 -10.220 2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.398 -9.693 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.345 -11.037 0.363 1.00 0.00 H new ATOM 0 HG LEU A 54 25.509 -10.690 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 54 24.709 -12.083 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.352 -10.513 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.331 -11.987 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 54 25.541 -13.165 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.216 -13.159 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 54 26.833 -12.426 2.392 1.00 0.00 H new ATOM 918 N SER A 55 30.189 -8.897 2.572 1.00 0.00 N ATOM 919 CA SER A 55 31.374 -7.997 2.673 1.00 0.00 C ATOM 920 C SER A 55 32.691 -8.778 2.973 1.00 0.00 C ATOM 921 O SER A 55 32.686 -9.860 3.569 1.00 0.00 O ATOM 922 CB SER A 55 31.080 -6.949 3.779 1.00 0.00 C ATOM 923 OG SER A 55 32.024 -5.877 3.735 1.00 0.00 O ATOM 0 H SER A 55 30.182 -9.645 3.266 1.00 0.00 H new ATOM 0 HA SER A 55 31.534 -7.506 1.713 1.00 0.00 H new ATOM 0 HB2 SER A 55 30.072 -6.555 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 55 31.115 -7.428 4.757 1.00 0.00 H new ATOM 0 HG SER A 55 31.816 -5.229 4.440 1.00 0.00 H new ATOM 929 N THR A 56 33.840 -8.184 2.599 1.00 0.00 N ATOM 930 CA THR A 56 35.194 -8.779 2.842 1.00 0.00 C ATOM 931 C THR A 56 35.581 -9.002 4.348 1.00 0.00 C ATOM 932 O THR A 56 36.165 -10.039 4.669 1.00 0.00 O ATOM 933 CB THR A 56 36.265 -7.934 2.075 1.00 0.00 C ATOM 934 OG1 THR A 56 35.914 -7.767 0.705 1.00 0.00 O ATOM 935 CG2 THR A 56 37.682 -8.530 2.061 1.00 0.00 C ATOM 0 H THR A 56 33.870 -7.283 2.122 1.00 0.00 H new ATOM 0 HA THR A 56 35.159 -9.795 2.450 1.00 0.00 H new ATOM 0 HB THR A 56 36.275 -6.997 2.631 1.00 0.00 H new ATOM 0 HG1 THR A 56 36.601 -7.234 0.254 1.00 0.00 H new ATOM 0 HG21 THR A 56 38.349 -7.870 1.506 1.00 0.00 H new ATOM 0 HG22 THR A 56 38.043 -8.633 3.084 1.00 0.00 H new ATOM 0 HG23 THR A 56 37.660 -9.510 1.583 1.00 0.00 H new ATOM 943 N PHE A 57 35.262 -8.062 5.261 1.00 0.00 N ATOM 944 CA PHE A 57 35.418 -8.276 6.730 1.00 0.00 C ATOM 945 C PHE A 57 34.427 -9.318 7.348 1.00 0.00 C ATOM 946 O PHE A 57 34.870 -10.293 7.961 1.00 0.00 O ATOM 947 CB PHE A 57 35.370 -6.894 7.462 1.00 0.00 C ATOM 948 CG PHE A 57 36.739 -6.364 7.905 1.00 0.00 C ATOM 949 CD1 PHE A 57 37.419 -6.992 8.956 1.00 0.00 C ATOM 950 CD2 PHE A 57 37.311 -5.250 7.285 1.00 0.00 C ATOM 951 CE1 PHE A 57 38.664 -6.523 9.367 1.00 0.00 C ATOM 952 CE2 PHE A 57 38.552 -4.779 7.705 1.00 0.00 C ATOM 953 CZ PHE A 57 39.231 -5.416 8.739 1.00 0.00 C ATOM 0 H PHE A 57 34.894 -7.143 5.015 1.00 0.00 H new ATOM 0 HA PHE A 57 36.395 -8.735 6.884 1.00 0.00 H new ATOM 0 HB2 PHE A 57 34.907 -6.162 6.800 1.00 0.00 H new ATOM 0 HB3 PHE A 57 34.727 -6.983 8.338 1.00 0.00 H new ATOM 0 HD1 PHE A 57 36.976 -7.844 9.450 1.00 0.00 H new ATOM 0 HD2 PHE A 57 36.790 -4.754 6.479 1.00 0.00 H new ATOM 0 HE1 PHE A 57 39.189 -7.017 10.171 1.00 0.00 H new ATOM 0 HE2 PHE A 57 38.990 -3.915 7.226 1.00 0.00 H new ATOM 0 HZ PHE A 57 40.198 -5.052 9.055 1.00 0.00 H new ATOM 963 N ARG A 58 33.105 -9.104 7.216 1.00 0.00 N ATOM 964 CA ARG A 58 32.078 -10.072 7.678 1.00 0.00 C ATOM 965 C ARG A 58 30.788 -9.927 6.816 1.00 0.00 C ATOM 966 O ARG A 58 30.261 -8.825 6.628 1.00 0.00 O ATOM 967 CB ARG A 58 31.788 -9.857 9.195 1.00 0.00 C ATOM 968 CG ARG A 58 30.782 -10.846 9.844 1.00 0.00 C ATOM 969 CD ARG A 58 31.330 -12.272 10.024 1.00 0.00 C ATOM 970 NE ARG A 58 30.250 -13.154 10.530 1.00 0.00 N ATOM 971 CZ ARG A 58 30.392 -14.441 10.829 1.00 0.00 C ATOM 972 NH1 ARG A 58 31.521 -15.110 10.720 1.00 0.00 N ATOM 973 NH2 ARG A 58 29.341 -15.081 11.260 1.00 0.00 N ATOM 0 H ARG A 58 32.715 -8.263 6.790 1.00 0.00 H new ATOM 0 HA ARG A 58 32.449 -11.089 7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 58 32.731 -9.922 9.737 1.00 0.00 H new ATOM 0 HB3 ARG A 58 31.410 -8.844 9.332 1.00 0.00 H new ATOM 0 HG2 ARG A 58 30.484 -10.457 10.818 1.00 0.00 H new ATOM 0 HG3 ARG A 58 29.883 -10.889 9.229 1.00 0.00 H new ATOM 0 HD2 ARG A 58 31.709 -12.650 9.075 1.00 0.00 H new ATOM 0 HD3 ARG A 58 32.167 -12.266 10.722 1.00 0.00 H new ATOM 0 HE ARG A 58 29.326 -12.740 10.658 1.00 0.00 H new ATOM 0 HH11 ARG A 58 32.362 -14.640 10.387 1.00 0.00 H new ATOM 0 HH12 ARG A 58 31.554 -16.099 10.969 1.00 0.00 H new ATOM 0 HH21 ARG A 58 28.451 -14.593 11.357 1.00 0.00 H new ATOM 0 HH22 ARG A 58 29.409 -16.070 11.500 1.00 0.00 H new ATOM 987 N ASN A 59 30.211 -11.068 6.400 1.00 0.00 N ATOM 988 CA ASN A 59 28.815 -11.116 5.881 1.00 0.00 C ATOM 989 C ASN A 59 27.806 -10.968 7.067 1.00 0.00 C ATOM 990 O ASN A 59 27.738 -11.823 7.956 1.00 0.00 O ATOM 991 CB ASN A 59 28.571 -12.438 5.109 1.00 0.00 C ATOM 992 CG ASN A 59 29.434 -12.679 3.861 1.00 0.00 C ATOM 993 OD1 ASN A 59 29.920 -11.768 3.201 1.00 0.00 O ATOM 994 ND2 ASN A 59 29.634 -13.915 3.477 1.00 0.00 N ATOM 0 H ASN A 59 30.682 -11.973 6.409 1.00 0.00 H new ATOM 0 HA ASN A 59 28.662 -10.289 5.188 1.00 0.00 H new ATOM 0 HB2 ASN A 59 28.730 -13.268 5.797 1.00 0.00 H new ATOM 0 HB3 ASN A 59 27.524 -12.468 4.809 1.00 0.00 H new ATOM 0 HD21 ASN A 59 30.186 -14.106 2.641 1.00 0.00 H new ATOM 0 HD22 ASN A 59 29.237 -14.686 4.014 1.00 0.00 H new ATOM 1001 N TYR A 60 27.077 -9.845 7.106 1.00 0.00 N ATOM 1002 CA TYR A 60 26.279 -9.440 8.301 1.00 0.00 C ATOM 1003 C TYR A 60 24.914 -10.196 8.423 1.00 0.00 C ATOM 1004 O TYR A 60 24.723 -10.928 9.395 1.00 0.00 O ATOM 1005 CB TYR A 60 26.204 -7.885 8.311 1.00 0.00 C ATOM 1006 CG TYR A 60 25.649 -7.253 9.598 1.00 0.00 C ATOM 1007 CD1 TYR A 60 26.441 -7.172 10.750 1.00 0.00 C ATOM 1008 CD2 TYR A 60 24.351 -6.732 9.621 1.00 0.00 C ATOM 1009 CE1 TYR A 60 25.938 -6.579 11.906 1.00 0.00 C ATOM 1010 CE2 TYR A 60 23.851 -6.141 10.779 1.00 0.00 C ATOM 1011 CZ TYR A 60 24.643 -6.070 11.922 1.00 0.00 C ATOM 1012 OH TYR A 60 24.137 -5.533 13.075 1.00 0.00 O ATOM 0 H TYR A 60 27.015 -9.190 6.327 1.00 0.00 H new ATOM 0 HA TYR A 60 26.774 -9.754 9.220 1.00 0.00 H new ATOM 0 HB2 TYR A 60 27.205 -7.490 8.136 1.00 0.00 H new ATOM 0 HB3 TYR A 60 25.584 -7.564 7.474 1.00 0.00 H new ATOM 0 HD1 TYR A 60 27.445 -7.570 10.742 1.00 0.00 H new ATOM 0 HD2 TYR A 60 23.734 -6.788 8.737 1.00 0.00 H new ATOM 0 HE1 TYR A 60 26.554 -6.514 12.791 1.00 0.00 H new ATOM 0 HE2 TYR A 60 22.849 -5.738 10.790 1.00 0.00 H new ATOM 0 HH TYR A 60 23.221 -5.222 12.917 1.00 0.00 H new ATOM 1022 N ILE A 61 23.999 -10.048 7.441 1.00 0.00 N ATOM 1023 CA ILE A 61 22.776 -10.905 7.300 1.00 0.00 C ATOM 1024 C ILE A 61 21.681 -10.545 8.369 1.00 0.00 C ATOM 1025 O ILE A 61 21.706 -11.044 9.497 1.00 0.00 O ATOM 1026 CB ILE A 61 23.063 -12.448 7.100 1.00 0.00 C ATOM 1027 CG1 ILE A 61 24.038 -12.747 5.913 1.00 0.00 C ATOM 1028 CG2 ILE A 61 21.755 -13.270 6.924 1.00 0.00 C ATOM 1029 CD1 ILE A 61 24.624 -14.168 5.864 1.00 0.00 C ATOM 0 H ILE A 61 24.077 -9.334 6.717 1.00 0.00 H new ATOM 0 HA ILE A 61 22.331 -10.646 6.340 1.00 0.00 H new ATOM 0 HB ILE A 61 23.556 -12.763 8.020 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.509 -12.561 4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.863 -12.036 5.959 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.002 -14.323 6.790 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.130 -13.154 7.810 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.214 -12.910 6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 61 25.284 -14.260 5.001 1.00 0.00 H new ATOM 0 HD12 ILE A 61 25.190 -14.360 6.776 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.814 -14.893 5.780 1.00 0.00 H new ATOM 1041 N MET A 62 20.685 -9.724 7.985 1.00 0.00 N ATOM 1042 CA MET A 62 19.501 -9.433 8.840 1.00 0.00 C ATOM 1043 C MET A 62 18.293 -10.301 8.364 1.00 0.00 C ATOM 1044 O MET A 62 17.605 -9.960 7.396 1.00 0.00 O ATOM 1045 CB MET A 62 19.176 -7.914 8.806 1.00 0.00 C ATOM 1046 CG MET A 62 20.169 -6.989 9.535 1.00 0.00 C ATOM 1047 SD MET A 62 19.629 -5.266 9.431 1.00 0.00 S ATOM 1048 CE MET A 62 18.386 -5.191 10.738 1.00 0.00 C ATOM 0 H MET A 62 20.670 -9.245 7.085 1.00 0.00 H new ATOM 0 HA MET A 62 19.717 -9.693 9.876 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.117 -7.600 7.764 1.00 0.00 H new ATOM 0 HB3 MET A 62 18.187 -7.765 9.240 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.252 -7.287 10.580 1.00 0.00 H new ATOM 0 HG3 MET A 62 21.161 -7.092 9.095 1.00 0.00 H new ATOM 0 HE1 MET A 62 17.956 -4.190 10.775 1.00 0.00 H new ATOM 0 HE2 MET A 62 17.599 -5.916 10.533 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.851 -5.421 11.696 1.00 0.00 H new ATOM 1058 N ASP A 63 18.033 -11.421 9.060 1.00 0.00 N ATOM 1059 CA ASP A 63 16.887 -12.324 8.783 1.00 0.00 C ATOM 1060 C ASP A 63 15.690 -12.051 9.751 1.00 0.00 C ATOM 1061 O ASP A 63 15.817 -12.245 10.965 1.00 0.00 O ATOM 1062 CB ASP A 63 17.425 -13.780 8.824 1.00 0.00 C ATOM 1063 CG ASP A 63 17.981 -14.317 10.150 1.00 0.00 C ATOM 1064 OD1 ASP A 63 19.061 -13.975 10.621 1.00 0.00 O ATOM 1065 OD2 ASP A 63 17.142 -15.208 10.745 1.00 0.00 O ATOM 0 H ASP A 63 18.613 -11.733 9.838 1.00 0.00 H new ATOM 0 HA ASP A 63 16.468 -12.140 7.794 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.617 -14.441 8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.213 -13.864 8.076 1.00 0.00 H new ATOM 1071 N PHE A 64 14.537 -11.573 9.239 1.00 0.00 N ATOM 1072 CA PHE A 64 13.447 -11.045 10.119 1.00 0.00 C ATOM 1073 C PHE A 64 12.032 -11.080 9.465 1.00 0.00 C ATOM 1074 O PHE A 64 11.879 -11.025 8.242 1.00 0.00 O ATOM 1075 CB PHE A 64 13.808 -9.612 10.632 1.00 0.00 C ATOM 1076 CG PHE A 64 13.978 -8.513 9.566 1.00 0.00 C ATOM 1077 CD1 PHE A 64 12.866 -7.844 9.045 1.00 0.00 C ATOM 1078 CD2 PHE A 64 15.242 -8.268 9.025 1.00 0.00 C ATOM 1079 CE1 PHE A 64 13.017 -6.971 7.974 1.00 0.00 C ATOM 1080 CE2 PHE A 64 15.390 -7.396 7.951 1.00 0.00 C ATOM 1081 CZ PHE A 64 14.277 -6.743 7.428 1.00 0.00 C ATOM 0 H PHE A 64 14.328 -11.537 8.241 1.00 0.00 H new ATOM 0 HA PHE A 64 13.383 -11.723 10.970 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.030 -9.294 11.326 1.00 0.00 H new ATOM 0 HB3 PHE A 64 14.735 -9.679 11.201 1.00 0.00 H new ATOM 0 HD1 PHE A 64 11.889 -8.006 9.475 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.109 -8.758 9.443 1.00 0.00 H new ATOM 0 HE1 PHE A 64 12.154 -6.468 7.564 1.00 0.00 H new ATOM 0 HE2 PHE A 64 16.367 -7.226 7.523 1.00 0.00 H new ATOM 0 HZ PHE A 64 14.391 -6.060 6.599 1.00 0.00 H new ATOM 1091 N GLN A 65 10.985 -11.083 10.305 1.00 0.00 N ATOM 1092 CA GLN A 65 9.593 -10.792 9.864 1.00 0.00 C ATOM 1093 C GLN A 65 9.206 -9.319 10.212 1.00 0.00 C ATOM 1094 O GLN A 65 9.326 -8.888 11.361 1.00 0.00 O ATOM 1095 CB GLN A 65 8.641 -11.860 10.474 1.00 0.00 C ATOM 1096 CG GLN A 65 8.669 -13.204 9.694 1.00 0.00 C ATOM 1097 CD GLN A 65 7.722 -14.288 10.211 1.00 0.00 C ATOM 1098 OE1 GLN A 65 7.917 -14.881 11.266 1.00 0.00 O ATOM 1099 NE2 GLN A 65 6.693 -14.621 9.468 1.00 0.00 N ATOM 0 H GLN A 65 11.067 -11.284 11.302 1.00 0.00 H new ATOM 0 HA GLN A 65 9.504 -10.864 8.780 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.922 -12.041 11.512 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.623 -11.471 10.483 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.427 -13.003 8.650 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.686 -13.595 9.716 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.521 -14.135 8.588 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.066 -15.366 9.770 1.00 0.00 H new ATOM 1108 N VAL A 66 8.726 -8.548 9.216 1.00 0.00 N ATOM 1109 CA VAL A 66 8.284 -7.126 9.392 1.00 0.00 C ATOM 1110 C VAL A 66 7.050 -7.049 10.364 1.00 0.00 C ATOM 1111 O VAL A 66 6.042 -7.737 10.169 1.00 0.00 O ATOM 1112 CB VAL A 66 7.996 -6.461 7.996 1.00 0.00 C ATOM 1113 CG1 VAL A 66 7.669 -4.954 8.107 1.00 0.00 C ATOM 1114 CG2 VAL A 66 9.141 -6.546 6.956 1.00 0.00 C ATOM 0 H VAL A 66 8.629 -8.884 8.258 1.00 0.00 H new ATOM 0 HA VAL A 66 9.089 -6.556 9.855 1.00 0.00 H new ATOM 0 HB VAL A 66 7.148 -7.054 7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.479 -4.549 7.113 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.784 -4.819 8.729 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.513 -4.431 8.557 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.831 -6.056 6.033 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.028 -6.051 7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.370 -7.592 6.752 1.00 0.00 H new ATOM 1124 N GLY A 67 7.179 -6.266 11.447 1.00 0.00 N ATOM 1125 CA GLY A 67 6.345 -6.436 12.671 1.00 0.00 C ATOM 1126 C GLY A 67 7.063 -7.026 13.912 1.00 0.00 C ATOM 1127 O GLY A 67 6.820 -6.562 15.027 1.00 0.00 O ATOM 0 H GLY A 67 7.853 -5.503 11.510 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.934 -5.464 12.943 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.502 -7.081 12.424 1.00 0.00 H new ATOM 1131 N LYS A 68 7.893 -8.069 13.740 1.00 0.00 N ATOM 1132 CA LYS A 68 8.511 -8.827 14.864 1.00 0.00 C ATOM 1133 C LYS A 68 9.854 -8.201 15.376 1.00 0.00 C ATOM 1134 O LYS A 68 10.590 -7.530 14.642 1.00 0.00 O ATOM 1135 CB LYS A 68 8.697 -10.316 14.444 1.00 0.00 C ATOM 1136 CG LYS A 68 7.409 -11.070 14.022 1.00 0.00 C ATOM 1137 CD LYS A 68 7.522 -12.602 14.135 1.00 0.00 C ATOM 1138 CE LYS A 68 6.206 -13.301 13.762 1.00 0.00 C ATOM 1139 NZ LYS A 68 6.397 -14.763 13.789 1.00 0.00 N ATOM 0 H LYS A 68 8.161 -8.418 12.820 1.00 0.00 H new ATOM 0 HA LYS A 68 7.829 -8.769 15.712 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.404 -10.353 13.615 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.152 -10.853 15.276 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.580 -10.729 14.642 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.166 -10.808 12.992 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.319 -12.957 13.482 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.801 -12.872 15.154 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.420 -13.014 14.460 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.883 -12.985 12.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.470 -15.235 13.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.949 -15.056 12.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.906 -15.031 14.655 1.00 0.00 H new ATOM 1152 N GLU A 69 10.163 -8.436 16.665 1.00 0.00 N ATOM 1153 CA GLU A 69 11.326 -7.815 17.357 1.00 0.00 C ATOM 1154 C GLU A 69 12.466 -8.861 17.615 1.00 0.00 C ATOM 1155 O GLU A 69 12.255 -9.846 18.328 1.00 0.00 O ATOM 1156 CB GLU A 69 10.748 -7.140 18.631 1.00 0.00 C ATOM 1157 CG GLU A 69 11.753 -6.257 19.402 1.00 0.00 C ATOM 1158 CD GLU A 69 11.121 -5.410 20.504 1.00 0.00 C ATOM 1159 OE1 GLU A 69 11.185 -5.703 21.695 1.00 0.00 O ATOM 1160 OE2 GLU A 69 10.495 -4.296 20.014 1.00 0.00 O ATOM 0 H GLU A 69 9.619 -9.059 17.262 1.00 0.00 H new ATOM 0 HA GLU A 69 11.823 -7.058 16.751 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.892 -6.529 18.346 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.377 -7.916 19.301 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.518 -6.896 19.843 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.257 -5.598 18.696 1.00 0.00 H new ATOM 1168 N PHE A 70 13.666 -8.654 17.031 1.00 0.00 N ATOM 1169 CA PHE A 70 14.772 -9.669 17.037 1.00 0.00 C ATOM 1170 C PHE A 70 16.146 -9.115 17.563 1.00 0.00 C ATOM 1171 O PHE A 70 16.456 -7.932 17.426 1.00 0.00 O ATOM 1172 CB PHE A 70 14.851 -10.341 15.628 1.00 0.00 C ATOM 1173 CG PHE A 70 15.604 -9.592 14.508 1.00 0.00 C ATOM 1174 CD1 PHE A 70 15.041 -8.473 13.885 1.00 0.00 C ATOM 1175 CD2 PHE A 70 16.882 -10.017 14.125 1.00 0.00 C ATOM 1176 CE1 PHE A 70 15.756 -7.772 12.916 1.00 0.00 C ATOM 1177 CE2 PHE A 70 17.583 -9.334 13.138 1.00 0.00 C ATOM 1178 CZ PHE A 70 17.023 -8.211 12.537 1.00 0.00 C ATOM 0 H PHE A 70 13.906 -7.791 16.543 1.00 0.00 H new ATOM 0 HA PHE A 70 14.531 -10.438 17.771 1.00 0.00 H new ATOM 0 HB2 PHE A 70 15.320 -11.318 15.750 1.00 0.00 H new ATOM 0 HB3 PHE A 70 13.832 -10.517 15.285 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.047 -8.151 14.157 1.00 0.00 H new ATOM 0 HD2 PHE A 70 17.325 -10.880 14.599 1.00 0.00 H new ATOM 0 HE1 PHE A 70 15.329 -6.891 12.460 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.563 -9.675 12.838 1.00 0.00 H new ATOM 0 HZ PHE A 70 17.572 -7.678 11.775 1.00 0.00 H new ATOM 1188 N GLU A 71 17.000 -9.970 18.151 1.00 0.00 N ATOM 1189 CA GLU A 71 18.300 -9.536 18.749 1.00 0.00 C ATOM 1190 C GLU A 71 19.465 -9.332 17.716 1.00 0.00 C ATOM 1191 O GLU A 71 19.842 -10.263 16.999 1.00 0.00 O ATOM 1192 CB GLU A 71 18.673 -10.509 19.906 1.00 0.00 C ATOM 1193 CG GLU A 71 18.876 -12.012 19.555 1.00 0.00 C ATOM 1194 CD GLU A 71 19.315 -12.895 20.720 1.00 0.00 C ATOM 1195 OE1 GLU A 71 20.410 -13.451 20.772 1.00 0.00 O ATOM 1196 OE2 GLU A 71 18.348 -13.004 21.678 1.00 0.00 O ATOM 0 H GLU A 71 16.824 -10.971 18.231 1.00 0.00 H new ATOM 0 HA GLU A 71 18.157 -8.533 19.151 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.592 -10.146 20.366 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.891 -10.445 20.663 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.942 -12.405 19.153 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.620 -12.087 18.762 1.00 0.00 H new ATOM 1204 N GLU A 72 20.079 -8.131 17.682 1.00 0.00 N ATOM 1205 CA GLU A 72 21.240 -7.834 16.777 1.00 0.00 C ATOM 1206 C GLU A 72 22.657 -8.228 17.334 1.00 0.00 C ATOM 1207 O GLU A 72 23.620 -7.455 17.279 1.00 0.00 O ATOM 1208 CB GLU A 72 21.133 -6.335 16.347 1.00 0.00 C ATOM 1209 CG GLU A 72 20.201 -6.044 15.145 1.00 0.00 C ATOM 1210 CD GLU A 72 20.767 -6.459 13.789 1.00 0.00 C ATOM 1211 OE1 GLU A 72 21.542 -5.771 13.128 1.00 0.00 O ATOM 1212 OE2 GLU A 72 20.326 -7.686 13.402 1.00 0.00 O ATOM 0 H GLU A 72 19.800 -7.343 18.266 1.00 0.00 H new ATOM 0 HA GLU A 72 21.164 -8.486 15.907 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.784 -5.755 17.202 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.132 -5.974 16.104 1.00 0.00 H new ATOM 0 HG2 GLU A 72 19.254 -6.560 15.303 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.982 -4.977 15.122 1.00 0.00 H new ATOM 1363 N CYS A 82 20.590 -5.712 20.532 1.00 0.00 N ATOM 1364 CA CYS A 82 19.562 -4.649 20.394 1.00 0.00 C ATOM 1365 C CYS A 82 18.233 -5.227 19.818 1.00 0.00 C ATOM 1366 O CYS A 82 18.221 -5.889 18.770 1.00 0.00 O ATOM 1367 CB CYS A 82 20.129 -3.501 19.540 1.00 0.00 C ATOM 1368 SG CYS A 82 21.510 -2.696 20.414 1.00 0.00 S ATOM 0 HA CYS A 82 19.316 -4.247 21.377 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.471 -3.886 18.579 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.346 -2.772 19.330 1.00 0.00 H new ATOM 0 HG CYS A 82 22.124 -3.571 21.154 1.00 0.00 H new ATOM 1374 N MET A 83 17.114 -4.980 20.523 1.00 0.00 N ATOM 1375 CA MET A 83 15.804 -5.629 20.240 1.00 0.00 C ATOM 1376 C MET A 83 15.106 -4.932 19.033 1.00 0.00 C ATOM 1377 O MET A 83 14.467 -3.882 19.141 1.00 0.00 O ATOM 1378 CB MET A 83 14.967 -5.621 21.551 1.00 0.00 C ATOM 1379 CG MET A 83 15.323 -6.716 22.584 1.00 0.00 C ATOM 1380 SD MET A 83 14.162 -8.104 22.523 1.00 0.00 S ATOM 1381 CE MET A 83 14.705 -9.013 21.065 1.00 0.00 C ATOM 0 H MET A 83 17.084 -4.327 21.306 1.00 0.00 H new ATOM 0 HA MET A 83 15.928 -6.669 19.937 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.082 -4.647 22.027 1.00 0.00 H new ATOM 0 HB3 MET A 83 13.914 -5.725 21.288 1.00 0.00 H new ATOM 0 HG2 MET A 83 16.333 -7.079 22.395 1.00 0.00 H new ATOM 0 HG3 MET A 83 15.321 -6.285 23.585 1.00 0.00 H new ATOM 0 HE1 MET A 83 14.217 -9.988 21.041 1.00 0.00 H new ATOM 0 HE2 MET A 83 14.441 -8.453 20.168 1.00 0.00 H new ATOM 0 HE3 MET A 83 15.786 -9.149 21.103 1.00 0.00 H new ATOM 1391 N THR A 84 15.310 -5.501 17.841 1.00 0.00 N ATOM 1392 CA THR A 84 15.246 -4.746 16.570 1.00 0.00 C ATOM 1393 C THR A 84 13.881 -4.970 15.879 1.00 0.00 C ATOM 1394 O THR A 84 13.524 -6.088 15.503 1.00 0.00 O ATOM 1395 CB THR A 84 16.466 -5.122 15.689 1.00 0.00 C ATOM 1396 OG1 THR A 84 17.669 -4.763 16.370 1.00 0.00 O ATOM 1397 CG2 THR A 84 16.473 -4.384 14.341 1.00 0.00 C ATOM 0 H THR A 84 15.523 -6.491 17.722 1.00 0.00 H new ATOM 0 HA THR A 84 15.309 -3.674 16.756 1.00 0.00 H new ATOM 0 HB THR A 84 16.400 -6.194 15.504 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.795 -5.351 17.144 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.349 -4.685 13.766 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.570 -4.634 13.785 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.506 -3.309 14.515 1.00 0.00 H new ATOM 1405 N THR A 85 13.141 -3.873 15.720 1.00 0.00 N ATOM 1406 CA THR A 85 11.753 -3.896 15.189 1.00 0.00 C ATOM 1407 C THR A 85 11.744 -3.195 13.800 1.00 0.00 C ATOM 1408 O THR A 85 12.141 -2.030 13.677 1.00 0.00 O ATOM 1409 CB THR A 85 10.840 -3.183 16.223 1.00 0.00 C ATOM 1410 OG1 THR A 85 11.043 -3.726 17.525 1.00 0.00 O ATOM 1411 CG2 THR A 85 9.343 -3.306 15.909 1.00 0.00 C ATOM 0 H THR A 85 13.475 -2.937 15.952 1.00 0.00 H new ATOM 0 HA THR A 85 11.380 -4.910 15.046 1.00 0.00 H new ATOM 0 HB THR A 85 11.120 -2.131 16.174 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.266 -3.527 18.087 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.767 -2.784 16.673 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.138 -2.863 14.934 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.059 -4.358 15.896 1.00 0.00 H new ATOM 1419 N VAL A 86 11.294 -3.914 12.761 1.00 0.00 N ATOM 1420 CA VAL A 86 11.281 -3.397 11.362 1.00 0.00 C ATOM 1421 C VAL A 86 9.790 -3.238 10.928 1.00 0.00 C ATOM 1422 O VAL A 86 8.997 -4.175 11.049 1.00 0.00 O ATOM 1423 CB VAL A 86 12.127 -4.293 10.393 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.274 -3.624 9.008 1.00 0.00 C ATOM 1425 CG2 VAL A 86 13.560 -4.616 10.884 1.00 0.00 C ATOM 0 H VAL A 86 10.930 -4.862 12.853 1.00 0.00 H new ATOM 0 HA VAL A 86 11.767 -2.422 11.312 1.00 0.00 H new ATOM 0 HB VAL A 86 11.564 -5.225 10.348 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.865 -4.266 8.355 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.287 -3.472 8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.774 -2.662 9.120 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.065 -5.240 10.147 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.117 -3.688 11.017 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.508 -5.147 11.834 1.00 0.00 H new ATOM 1435 N SER A 87 9.414 -2.051 10.429 1.00 0.00 N ATOM 1436 CA SER A 87 8.013 -1.711 10.057 1.00 0.00 C ATOM 1437 C SER A 87 7.908 -1.071 8.641 1.00 0.00 C ATOM 1438 O SER A 87 8.862 -0.497 8.105 1.00 0.00 O ATOM 1439 CB SER A 87 7.421 -0.769 11.134 1.00 0.00 C ATOM 1440 OG SER A 87 8.204 0.414 11.325 1.00 0.00 O ATOM 0 H SER A 87 10.071 -1.288 10.267 1.00 0.00 H new ATOM 0 HA SER A 87 7.438 -2.636 10.015 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.408 -0.487 10.847 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.346 -1.307 12.079 1.00 0.00 H new ATOM 0 HG SER A 87 7.787 0.975 12.013 1.00 0.00 H new ATOM 1446 N TRP A 88 6.700 -1.133 8.056 1.00 0.00 N ATOM 1447 CA TRP A 88 6.392 -0.403 6.793 1.00 0.00 C ATOM 1448 C TRP A 88 5.793 1.004 7.104 1.00 0.00 C ATOM 1449 O TRP A 88 4.672 1.126 7.608 1.00 0.00 O ATOM 1450 CB TRP A 88 5.428 -1.218 5.885 1.00 0.00 C ATOM 1451 CG TRP A 88 6.040 -2.421 5.157 1.00 0.00 C ATOM 1452 CD1 TRP A 88 5.632 -3.764 5.305 1.00 0.00 C ATOM 1453 CD2 TRP A 88 6.989 -2.432 4.147 1.00 0.00 C ATOM 1454 NE1 TRP A 88 6.333 -4.626 4.439 1.00 0.00 N ATOM 1455 CE2 TRP A 88 7.160 -3.776 3.724 1.00 0.00 C ATOM 1456 CE3 TRP A 88 7.658 -1.375 3.471 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 7.999 -4.074 2.628 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 8.478 -1.697 2.388 1.00 0.00 C ATOM 1459 CH2 TRP A 88 8.649 -3.025 1.978 1.00 0.00 C ATOM 0 H TRP A 88 5.919 -1.674 8.427 1.00 0.00 H new ATOM 0 HA TRP A 88 7.328 -0.271 6.250 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.599 -1.573 6.497 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.007 -0.544 5.139 1.00 0.00 H new ATOM 0 HD1 TRP A 88 4.873 -4.092 6.000 1.00 0.00 H new ATOM 0 HE1 TRP A 88 6.251 -5.639 4.358 1.00 0.00 H new ATOM 0 HE3 TRP A 88 7.535 -0.350 3.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 8.135 -5.094 2.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 8.990 -0.908 1.857 1.00 0.00 H new ATOM 0 HH2 TRP A 88 9.297 -3.241 1.142 1.00 0.00 H new ATOM 1470 N ASP A 89 6.530 2.069 6.755 1.00 0.00 N ATOM 1471 CA ASP A 89 6.023 3.467 6.814 1.00 0.00 C ATOM 1472 C ASP A 89 5.415 3.883 5.432 1.00 0.00 C ATOM 1473 O ASP A 89 6.023 4.634 4.661 1.00 0.00 O ATOM 1474 CB ASP A 89 7.235 4.301 7.309 1.00 0.00 C ATOM 1475 CG ASP A 89 6.974 5.778 7.587 1.00 0.00 C ATOM 1476 OD1 ASP A 89 7.425 6.682 6.891 1.00 0.00 O ATOM 1477 OD2 ASP A 89 6.216 5.969 8.707 1.00 0.00 O ATOM 0 H ASP A 89 7.492 1.996 6.424 1.00 0.00 H new ATOM 0 HA ASP A 89 5.190 3.622 7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.614 3.843 8.223 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.027 4.228 6.564 1.00 0.00 H new ATOM 1483 N GLY A 90 4.222 3.338 5.110 1.00 0.00 N ATOM 1484 CA GLY A 90 3.605 3.475 3.762 1.00 0.00 C ATOM 1485 C GLY A 90 4.391 2.790 2.621 1.00 0.00 C ATOM 1486 O GLY A 90 4.259 1.586 2.392 1.00 0.00 O ATOM 0 H GLY A 90 3.660 2.795 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.599 3.058 3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.503 4.535 3.530 1.00 0.00 H new ATOM 1490 N ASP A 91 5.239 3.580 1.952 1.00 0.00 N ATOM 1491 CA ASP A 91 6.219 3.061 0.954 1.00 0.00 C ATOM 1492 C ASP A 91 7.582 2.560 1.547 1.00 0.00 C ATOM 1493 O ASP A 91 8.141 1.591 1.022 1.00 0.00 O ATOM 1494 CB ASP A 91 6.479 4.123 -0.154 1.00 0.00 C ATOM 1495 CG ASP A 91 5.277 4.730 -0.885 1.00 0.00 C ATOM 1496 OD1 ASP A 91 4.968 5.913 -0.780 1.00 0.00 O ATOM 1497 OD2 ASP A 91 4.608 3.829 -1.665 1.00 0.00 O ATOM 0 H ASP A 91 5.276 4.592 2.076 1.00 0.00 H new ATOM 0 HA ASP A 91 5.745 2.173 0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.040 4.942 0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.127 3.668 -0.903 1.00 0.00 H new ATOM 1503 N LYS A 92 8.142 3.237 2.570 1.00 0.00 N ATOM 1504 CA LYS A 92 9.541 3.017 3.040 1.00 0.00 C ATOM 1505 C LYS A 92 9.630 1.983 4.208 1.00 0.00 C ATOM 1506 O LYS A 92 8.683 1.800 4.982 1.00 0.00 O ATOM 1507 CB LYS A 92 10.162 4.382 3.467 1.00 0.00 C ATOM 1508 CG LYS A 92 10.231 5.476 2.373 1.00 0.00 C ATOM 1509 CD LYS A 92 11.203 6.619 2.720 1.00 0.00 C ATOM 1510 CE LYS A 92 11.283 7.667 1.598 1.00 0.00 C ATOM 1511 NZ LYS A 92 12.329 8.662 1.898 1.00 0.00 N ATOM 0 H LYS A 92 7.644 3.953 3.099 1.00 0.00 H new ATOM 0 HA LYS A 92 10.107 2.593 2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.586 4.773 4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.173 4.199 3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.537 5.020 1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.234 5.889 2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.882 7.100 3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 92 12.196 6.208 2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.500 7.177 0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.320 8.165 1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.371 9.363 1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.106 9.141 2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.249 8.184 1.981 1.00 0.00 H new ATOM 1524 N LEU A 93 10.790 1.321 4.363 1.00 0.00 N ATOM 1525 CA LEU A 93 11.013 0.336 5.455 1.00 0.00 C ATOM 1526 C LEU A 93 11.802 1.000 6.631 1.00 0.00 C ATOM 1527 O LEU A 93 12.988 1.322 6.503 1.00 0.00 O ATOM 1528 CB LEU A 93 11.720 -0.879 4.804 1.00 0.00 C ATOM 1529 CG LEU A 93 11.846 -2.150 5.679 1.00 0.00 C ATOM 1530 CD1 LEU A 93 10.495 -2.879 5.817 1.00 0.00 C ATOM 1531 CD2 LEU A 93 12.887 -3.110 5.084 1.00 0.00 C ATOM 0 H LEU A 93 11.594 1.445 3.748 1.00 0.00 H new ATOM 0 HA LEU A 93 10.087 -0.009 5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.180 -1.142 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.721 -0.571 4.502 1.00 0.00 H new ATOM 0 HG LEU A 93 12.168 -1.832 6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.622 -3.766 6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.768 -2.213 6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.139 -3.175 4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.963 -3.998 5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.581 -3.401 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.856 -2.613 5.039 1.00 0.00 H new ATOM 1543 N GLN A 94 11.118 1.216 7.765 1.00 0.00 N ATOM 1544 CA GLN A 94 11.703 1.850 8.979 1.00 0.00 C ATOM 1545 C GLN A 94 12.156 0.777 10.016 1.00 0.00 C ATOM 1546 O GLN A 94 11.337 -0.017 10.493 1.00 0.00 O ATOM 1547 CB GLN A 94 10.624 2.771 9.617 1.00 0.00 C ATOM 1548 CG GLN A 94 10.472 4.162 8.971 1.00 0.00 C ATOM 1549 CD GLN A 94 11.618 5.132 9.278 1.00 0.00 C ATOM 1550 OE1 GLN A 94 12.564 4.884 10.019 1.00 0.00 O ATOM 1551 NE2 GLN A 94 11.564 6.284 8.683 1.00 0.00 N ATOM 0 H GLN A 94 10.137 0.958 7.876 1.00 0.00 H new ATOM 0 HA GLN A 94 12.582 2.426 8.692 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.662 2.261 9.570 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.863 2.904 10.672 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.395 4.041 7.891 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.536 4.606 9.310 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.783 6.502 8.064 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.303 6.971 8.834 1.00 0.00 H new ATOM 1560 N CYS A 95 13.441 0.788 10.400 1.00 0.00 N ATOM 1561 CA CYS A 95 13.986 -0.104 11.453 1.00 0.00 C ATOM 1562 C CYS A 95 14.460 0.699 12.693 1.00 0.00 C ATOM 1563 O CYS A 95 15.234 1.654 12.568 1.00 0.00 O ATOM 1564 CB CYS A 95 15.151 -0.896 10.838 1.00 0.00 C ATOM 1565 SG CYS A 95 15.990 -1.948 12.075 1.00 0.00 S ATOM 0 H CYS A 95 14.138 1.413 9.994 1.00 0.00 H new ATOM 0 HA CYS A 95 13.206 -0.781 11.801 1.00 0.00 H new ATOM 0 HB2 CYS A 95 14.777 -1.519 10.026 1.00 0.00 H new ATOM 0 HB3 CYS A 95 15.871 -0.203 10.403 1.00 0.00 H new ATOM 0 HG CYS A 95 17.178 -2.257 11.647 1.00 0.00 H new ATOM 1571 N VAL A 96 14.042 0.263 13.892 1.00 0.00 N ATOM 1572 CA VAL A 96 14.570 0.793 15.183 1.00 0.00 C ATOM 1573 C VAL A 96 15.292 -0.358 15.968 1.00 0.00 C ATOM 1574 O VAL A 96 14.704 -1.409 16.247 1.00 0.00 O ATOM 1575 CB VAL A 96 13.454 1.557 15.975 1.00 0.00 C ATOM 1576 CG1 VAL A 96 12.243 0.709 16.431 1.00 0.00 C ATOM 1577 CG2 VAL A 96 14.017 2.321 17.195 1.00 0.00 C ATOM 0 H VAL A 96 13.333 -0.462 14.006 1.00 0.00 H new ATOM 0 HA VAL A 96 15.333 1.551 15.006 1.00 0.00 H new ATOM 0 HB VAL A 96 13.075 2.255 15.229 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.537 1.342 16.968 1.00 0.00 H new ATOM 0 HG12 VAL A 96 11.752 0.277 15.559 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.585 -0.091 17.088 1.00 0.00 H new ATOM 0 HG21 VAL A 96 13.204 2.834 17.710 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.492 1.617 17.878 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.752 3.052 16.859 1.00 0.00 H new ATOM 1587 N GLN A 97 16.573 -0.149 16.316 1.00 0.00 N ATOM 1588 CA GLN A 97 17.409 -1.138 17.056 1.00 0.00 C ATOM 1589 C GLN A 97 17.433 -0.761 18.573 1.00 0.00 C ATOM 1590 O GLN A 97 18.204 0.107 18.997 1.00 0.00 O ATOM 1591 CB GLN A 97 18.827 -1.155 16.409 1.00 0.00 C ATOM 1592 CG GLN A 97 18.910 -1.783 14.990 1.00 0.00 C ATOM 1593 CD GLN A 97 20.257 -1.708 14.259 1.00 0.00 C ATOM 1594 OE1 GLN A 97 21.272 -1.212 14.738 1.00 0.00 O ATOM 1595 NE2 GLN A 97 20.314 -2.226 13.056 1.00 0.00 N ATOM 0 H GLN A 97 17.070 0.714 16.095 1.00 0.00 H new ATOM 0 HA GLN A 97 16.998 -2.145 16.989 1.00 0.00 H new ATOM 0 HB2 GLN A 97 19.195 -0.130 16.355 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.501 -1.701 17.069 1.00 0.00 H new ATOM 0 HG2 GLN A 97 18.629 -2.833 15.070 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.160 -1.299 14.364 1.00 0.00 H new ATOM 0 HE21 GLN A 97 19.481 -2.643 12.640 1.00 0.00 H new ATOM 0 HE22 GLN A 97 21.191 -2.212 12.536 1.00 0.00 H new ATOM 1604 N LYS A 98 16.573 -1.396 19.393 1.00 0.00 N ATOM 1605 CA LYS A 98 16.324 -0.949 20.794 1.00 0.00 C ATOM 1606 C LYS A 98 17.404 -1.431 21.811 1.00 0.00 C ATOM 1607 O LYS A 98 17.572 -2.630 22.050 1.00 0.00 O ATOM 1608 CB LYS A 98 14.934 -1.462 21.256 1.00 0.00 C ATOM 1609 CG LYS A 98 13.690 -0.904 20.528 1.00 0.00 C ATOM 1610 CD LYS A 98 13.309 0.505 21.023 1.00 0.00 C ATOM 1611 CE LYS A 98 12.024 1.083 20.404 1.00 0.00 C ATOM 1612 NZ LYS A 98 10.806 0.418 20.912 1.00 0.00 N ATOM 0 H LYS A 98 16.036 -2.219 19.118 1.00 0.00 H new ATOM 0 HA LYS A 98 16.366 0.140 20.782 1.00 0.00 H new ATOM 0 HB2 LYS A 98 14.925 -2.547 21.154 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.830 -1.241 22.318 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.883 -0.871 19.456 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.849 -1.580 20.679 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.191 0.474 22.106 1.00 0.00 H new ATOM 0 HD3 LYS A 98 14.135 1.184 20.811 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.969 2.150 20.619 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.067 0.978 19.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.967 0.842 20.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.844 -0.596 20.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.748 0.540 21.943 1.00 0.00 H new ATOM 1625 N GLY A 99 18.079 -0.478 22.461 1.00 0.00 N ATOM 1626 CA GLY A 99 18.997 -0.784 23.586 1.00 0.00 C ATOM 1627 C GLY A 99 19.546 0.488 24.259 1.00 0.00 C ATOM 1628 O GLY A 99 18.776 1.307 24.764 1.00 0.00 O ATOM 0 H GLY A 99 18.014 0.514 22.235 1.00 0.00 H new ATOM 0 HA2 GLY A 99 18.471 -1.386 24.327 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.829 -1.386 23.219 1.00 0.00 H new ATOM 1632 N GLU A 100 20.876 0.643 24.280 1.00 0.00 N ATOM 1633 CA GLU A 100 21.536 1.816 24.931 1.00 0.00 C ATOM 1634 C GLU A 100 21.718 3.096 24.050 1.00 0.00 C ATOM 1635 O GLU A 100 21.781 4.188 24.626 1.00 0.00 O ATOM 1636 CB GLU A 100 22.881 1.321 25.531 1.00 0.00 C ATOM 1637 CG GLU A 100 23.639 2.315 26.456 1.00 0.00 C ATOM 1638 CD GLU A 100 24.766 3.113 25.790 1.00 0.00 C ATOM 1639 OE1 GLU A 100 25.943 2.768 25.831 1.00 0.00 O ATOM 1640 OE2 GLU A 100 24.317 4.240 25.159 1.00 0.00 O ATOM 0 H GLU A 100 21.527 -0.019 23.859 1.00 0.00 H new ATOM 0 HA GLU A 100 20.855 2.175 25.703 1.00 0.00 H new ATOM 0 HB2 GLU A 100 22.687 0.410 26.097 1.00 0.00 H new ATOM 0 HB3 GLU A 100 23.542 1.050 24.708 1.00 0.00 H new ATOM 0 HG2 GLU A 100 22.917 3.018 26.872 1.00 0.00 H new ATOM 0 HG3 GLU A 100 24.059 1.756 27.293 1.00 0.00 H new ATOM 1648 N LYS A 101 21.928 2.994 22.725 1.00 0.00 N ATOM 1649 CA LYS A 101 22.416 4.135 21.898 1.00 0.00 C ATOM 1650 C LYS A 101 21.253 5.007 21.325 1.00 0.00 C ATOM 1651 O LYS A 101 20.231 4.505 20.843 1.00 0.00 O ATOM 1652 CB LYS A 101 23.393 3.619 20.807 1.00 0.00 C ATOM 1653 CG LYS A 101 24.729 3.081 21.377 1.00 0.00 C ATOM 1654 CD LYS A 101 25.824 2.871 20.318 1.00 0.00 C ATOM 1655 CE LYS A 101 27.154 2.369 20.915 1.00 0.00 C ATOM 1656 NZ LYS A 101 27.144 0.914 21.176 1.00 0.00 N ATOM 0 H LYS A 101 21.770 2.137 22.195 1.00 0.00 H new ATOM 0 HA LYS A 101 22.972 4.813 22.545 1.00 0.00 H new ATOM 0 HB2 LYS A 101 22.905 2.827 20.239 1.00 0.00 H new ATOM 0 HB3 LYS A 101 23.605 4.428 20.109 1.00 0.00 H new ATOM 0 HG2 LYS A 101 25.096 3.777 22.131 1.00 0.00 H new ATOM 0 HG3 LYS A 101 24.541 2.134 21.882 1.00 0.00 H new ATOM 0 HD2 LYS A 101 25.472 2.154 19.577 1.00 0.00 H new ATOM 0 HD3 LYS A 101 25.999 3.811 19.794 1.00 0.00 H new ATOM 0 HE2 LYS A 101 27.968 2.606 20.230 1.00 0.00 H new ATOM 0 HE3 LYS A 101 27.354 2.900 21.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 28.060 0.627 21.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 26.385 0.687 21.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 26.980 0.403 20.285 1.00 0.00 H new ATOM 1669 N GLU A 102 21.419 6.339 21.410 1.00 0.00 N ATOM 1670 CA GLU A 102 20.306 7.313 21.223 1.00 0.00 C ATOM 1671 C GLU A 102 19.990 7.597 19.720 1.00 0.00 C ATOM 1672 O GLU A 102 20.726 8.300 19.024 1.00 0.00 O ATOM 1673 CB GLU A 102 20.547 8.576 22.100 1.00 0.00 C ATOM 1674 CG GLU A 102 21.757 9.490 21.771 1.00 0.00 C ATOM 1675 CD GLU A 102 21.932 10.652 22.746 1.00 0.00 C ATOM 1676 OE1 GLU A 102 21.322 11.713 22.662 1.00 0.00 O ATOM 1677 OE2 GLU A 102 22.844 10.381 23.720 1.00 0.00 O ATOM 0 H GLU A 102 22.318 6.778 21.608 1.00 0.00 H new ATOM 0 HA GLU A 102 19.381 6.863 21.585 1.00 0.00 H new ATOM 0 HB2 GLU A 102 19.647 9.189 22.052 1.00 0.00 H new ATOM 0 HB3 GLU A 102 20.653 8.246 23.133 1.00 0.00 H new ATOM 0 HG2 GLU A 102 22.666 8.888 21.770 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.637 9.888 20.763 1.00 0.00 H new ATOM 1685 N GLY A 103 18.907 6.997 19.205 1.00 0.00 N ATOM 1686 CA GLY A 103 18.634 6.977 17.741 1.00 0.00 C ATOM 1687 C GLY A 103 19.353 5.904 16.903 1.00 0.00 C ATOM 1688 O GLY A 103 19.776 6.212 15.790 1.00 0.00 O ATOM 0 H GLY A 103 18.203 6.519 19.768 1.00 0.00 H new ATOM 0 HA2 GLY A 103 17.560 6.852 17.600 1.00 0.00 H new ATOM 0 HA3 GLY A 103 18.897 7.954 17.335 1.00 0.00 H new ATOM 1692 N ARG A 104 19.451 4.656 17.393 1.00 0.00 N ATOM 1693 CA ARG A 104 20.031 3.532 16.616 1.00 0.00 C ATOM 1694 C ARG A 104 18.957 2.875 15.688 1.00 0.00 C ATOM 1695 O ARG A 104 17.944 2.343 16.156 1.00 0.00 O ATOM 1696 CB ARG A 104 20.697 2.542 17.605 1.00 0.00 C ATOM 1697 CG ARG A 104 21.620 1.508 16.915 1.00 0.00 C ATOM 1698 CD ARG A 104 22.167 0.452 17.889 1.00 0.00 C ATOM 1699 NE ARG A 104 22.673 -0.710 17.116 1.00 0.00 N ATOM 1700 CZ ARG A 104 23.466 -1.664 17.592 1.00 0.00 C ATOM 1701 NH1 ARG A 104 24.084 -1.602 18.750 1.00 0.00 N ATOM 1702 NH2 ARG A 104 23.641 -2.727 16.856 1.00 0.00 N ATOM 0 H ARG A 104 19.136 4.393 18.327 1.00 0.00 H new ATOM 0 HA ARG A 104 20.804 3.892 15.937 1.00 0.00 H new ATOM 0 HB2 ARG A 104 21.278 3.106 18.335 1.00 0.00 H new ATOM 0 HB3 ARG A 104 19.920 2.013 18.156 1.00 0.00 H new ATOM 0 HG2 ARG A 104 21.067 1.009 16.119 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.454 2.029 16.446 1.00 0.00 H new ATOM 0 HD2 ARG A 104 22.968 0.878 18.494 1.00 0.00 H new ATOM 0 HD3 ARG A 104 21.383 0.133 18.576 1.00 0.00 H new ATOM 0 HE ARG A 104 22.389 -0.782 16.139 1.00 0.00 H new ATOM 0 HH11 ARG A 104 23.969 -0.783 19.346 1.00 0.00 H new ATOM 0 HH12 ARG A 104 24.679 -2.373 19.053 1.00 0.00 H new ATOM 0 HH21 ARG A 104 23.177 -2.803 15.951 1.00 0.00 H new ATOM 0 HH22 ARG A 104 24.242 -3.482 17.186 1.00 0.00 H new ATOM 1716 N GLY A 105 19.188 2.916 14.369 1.00 0.00 N ATOM 1717 CA GLY A 105 18.228 2.368 13.379 1.00 0.00 C ATOM 1718 C GLY A 105 18.554 2.699 11.910 1.00 0.00 C ATOM 1719 O GLY A 105 19.663 3.126 11.571 1.00 0.00 O ATOM 0 H GLY A 105 20.028 3.321 13.955 1.00 0.00 H new ATOM 0 HA2 GLY A 105 18.190 1.285 13.493 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.233 2.748 13.610 1.00 0.00 H new ATOM 1723 N TRP A 106 17.572 2.488 11.019 1.00 0.00 N ATOM 1724 CA TRP A 106 17.713 2.827 9.573 1.00 0.00 C ATOM 1725 C TRP A 106 16.361 3.039 8.820 1.00 0.00 C ATOM 1726 O TRP A 106 15.313 2.507 9.194 1.00 0.00 O ATOM 1727 CB TRP A 106 18.687 1.862 8.819 1.00 0.00 C ATOM 1728 CG TRP A 106 18.456 0.346 8.853 1.00 0.00 C ATOM 1729 CD1 TRP A 106 19.244 -0.552 9.601 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.521 -0.434 8.196 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.825 -1.885 9.426 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.745 -1.786 8.565 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.425 -0.091 7.368 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 16.858 -2.797 8.123 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.549 -1.099 6.969 1.00 0.00 C ATOM 1736 CH2 TRP A 106 15.766 -2.434 7.333 1.00 0.00 C ATOM 0 H TRP A 106 16.668 2.085 11.264 1.00 0.00 H new ATOM 0 HA TRP A 106 18.182 3.811 9.566 1.00 0.00 H new ATOM 0 HB2 TRP A 106 18.693 2.164 7.772 1.00 0.00 H new ATOM 0 HB3 TRP A 106 19.688 2.045 9.209 1.00 0.00 H new ATOM 0 HD1 TRP A 106 20.069 -0.254 10.232 1.00 0.00 H new ATOM 0 HE1 TRP A 106 19.225 -2.728 9.838 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.271 0.930 7.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 17.023 -3.830 8.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.688 -0.846 6.369 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.077 -3.195 6.997 1.00 0.00 H new ATOM 1747 N THR A 107 16.425 3.786 7.703 1.00 0.00 N ATOM 1748 CA THR A 107 15.293 3.955 6.747 1.00 0.00 C ATOM 1749 C THR A 107 15.750 3.432 5.343 1.00 0.00 C ATOM 1750 O THR A 107 16.731 3.933 4.778 1.00 0.00 O ATOM 1751 CB THR A 107 14.865 5.455 6.661 1.00 0.00 C ATOM 1752 OG1 THR A 107 14.633 6.012 7.952 1.00 0.00 O ATOM 1753 CG2 THR A 107 13.564 5.667 5.872 1.00 0.00 C ATOM 0 H THR A 107 17.264 4.296 7.428 1.00 0.00 H new ATOM 0 HA THR A 107 14.430 3.385 7.092 1.00 0.00 H new ATOM 0 HB THR A 107 15.698 5.943 6.155 1.00 0.00 H new ATOM 0 HG1 THR A 107 14.369 6.951 7.860 1.00 0.00 H new ATOM 0 HG21 THR A 107 13.321 6.729 5.849 1.00 0.00 H new ATOM 0 HG22 THR A 107 13.693 5.302 4.853 1.00 0.00 H new ATOM 0 HG23 THR A 107 12.753 5.120 6.353 1.00 0.00 H new ATOM 1761 N GLN A 108 15.029 2.451 4.772 1.00 0.00 N ATOM 1762 CA GLN A 108 15.382 1.836 3.457 1.00 0.00 C ATOM 1763 C GLN A 108 14.243 2.025 2.402 1.00 0.00 C ATOM 1764 O GLN A 108 13.064 1.780 2.682 1.00 0.00 O ATOM 1765 CB GLN A 108 15.706 0.345 3.726 1.00 0.00 C ATOM 1766 CG GLN A 108 16.376 -0.416 2.561 1.00 0.00 C ATOM 1767 CD GLN A 108 16.704 -1.880 2.876 1.00 0.00 C ATOM 1768 OE1 GLN A 108 17.760 -2.211 3.403 1.00 0.00 O ATOM 1769 NE2 GLN A 108 15.835 -2.807 2.547 1.00 0.00 N ATOM 0 H GLN A 108 14.189 2.057 5.196 1.00 0.00 H new ATOM 0 HA GLN A 108 16.250 2.330 3.021 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.358 0.286 4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 108 14.780 -0.168 3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 108 15.718 -0.381 1.692 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.296 0.100 2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 108 14.952 -2.546 2.108 1.00 0.00 H new ATOM 0 HE22 GLN A 108 16.042 -3.789 2.731 1.00 0.00 H new ATOM 1778 N TRP A 109 14.602 2.435 1.171 1.00 0.00 N ATOM 1779 CA TRP A 109 13.630 2.621 0.049 1.00 0.00 C ATOM 1780 C TRP A 109 14.257 2.343 -1.364 1.00 0.00 C ATOM 1781 O TRP A 109 15.462 2.105 -1.497 1.00 0.00 O ATOM 1782 CB TRP A 109 12.931 4.009 0.187 1.00 0.00 C ATOM 1783 CG TRP A 109 13.750 5.254 -0.186 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.772 5.875 -1.453 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.586 6.011 0.612 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.604 7.009 -1.466 1.00 0.00 N ATOM 1787 CE2 TRP A 109 15.084 7.082 -0.172 1.00 0.00 C ATOM 1788 CE3 TRP A 109 14.972 5.873 1.970 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 15.965 8.027 0.397 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 15.844 6.818 2.511 1.00 0.00 C ATOM 1791 CH2 TRP A 109 16.329 7.881 1.736 1.00 0.00 C ATOM 0 H TRP A 109 15.566 2.649 0.915 1.00 0.00 H new ATOM 0 HA TRP A 109 12.853 1.860 0.128 1.00 0.00 H new ATOM 0 HB2 TRP A 109 12.035 3.998 -0.433 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.603 4.119 1.220 1.00 0.00 H new ATOM 0 HD1 TRP A 109 13.217 5.522 -2.310 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.806 7.632 -2.248 1.00 0.00 H new ATOM 0 HE3 TRP A 109 14.600 5.056 2.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 16.349 8.846 -0.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 16.150 6.729 3.543 1.00 0.00 H new ATOM 0 HH2 TRP A 109 16.998 8.601 2.184 1.00 0.00 H new ATOM 1802 N ILE A 110 13.429 2.373 -2.428 1.00 0.00 N ATOM 1803 CA ILE A 110 13.900 2.193 -3.840 1.00 0.00 C ATOM 1804 C ILE A 110 13.623 3.513 -4.643 1.00 0.00 C ATOM 1805 O ILE A 110 12.511 4.051 -4.639 1.00 0.00 O ATOM 1806 CB ILE A 110 13.280 0.929 -4.545 1.00 0.00 C ATOM 1807 CG1 ILE A 110 13.467 -0.391 -3.741 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.846 0.722 -5.980 1.00 0.00 C ATOM 1809 CD1 ILE A 110 12.687 -1.595 -4.290 1.00 0.00 C ATOM 0 H ILE A 110 12.423 2.520 -2.348 1.00 0.00 H new ATOM 0 HA ILE A 110 14.973 2.001 -3.819 1.00 0.00 H new ATOM 0 HB ILE A 110 12.213 1.146 -4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 110 14.528 -0.641 -3.722 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.162 -0.218 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 110 13.390 -0.161 -6.427 1.00 0.00 H new ATOM 0 HG22 ILE A 110 13.619 1.596 -6.590 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.926 0.586 -5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 110 12.879 -2.468 -3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.620 -1.371 -4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.008 -1.801 -5.311 1.00 0.00 H new ATOM 1821 N GLU A 111 14.634 3.971 -5.394 1.00 0.00 N ATOM 1822 CA GLU A 111 14.470 4.984 -6.477 1.00 0.00 C ATOM 1823 C GLU A 111 14.742 4.304 -7.859 1.00 0.00 C ATOM 1824 O GLU A 111 15.880 4.258 -8.339 1.00 0.00 O ATOM 1825 CB GLU A 111 15.413 6.192 -6.210 1.00 0.00 C ATOM 1826 CG GLU A 111 14.881 7.227 -5.193 1.00 0.00 C ATOM 1827 CD GLU A 111 15.855 8.375 -4.914 1.00 0.00 C ATOM 1828 OE1 GLU A 111 16.394 9.049 -5.786 1.00 0.00 O ATOM 1829 OE2 GLU A 111 16.057 8.573 -3.581 1.00 0.00 O ATOM 0 H GLU A 111 15.597 3.656 -5.277 1.00 0.00 H new ATOM 0 HA GLU A 111 13.451 5.370 -6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 111 16.371 5.813 -5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.604 6.700 -7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.944 7.640 -5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 111 14.655 6.719 -4.256 1.00 0.00 H new ATOM 1837 N GLY A 112 13.685 3.756 -8.494 1.00 0.00 N ATOM 1838 CA GLY A 112 13.789 3.080 -9.820 1.00 0.00 C ATOM 1839 C GLY A 112 14.647 1.793 -9.853 1.00 0.00 C ATOM 1840 O GLY A 112 14.229 0.746 -9.357 1.00 0.00 O ATOM 0 H GLY A 112 12.739 3.765 -8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.784 2.833 -10.161 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.203 3.789 -10.537 1.00 0.00 H new ATOM 1844 N ASP A 113 15.862 1.899 -10.412 1.00 0.00 N ATOM 1845 CA ASP A 113 16.911 0.846 -10.272 1.00 0.00 C ATOM 1846 C ASP A 113 17.809 0.871 -8.983 1.00 0.00 C ATOM 1847 O ASP A 113 18.679 0.004 -8.859 1.00 0.00 O ATOM 1848 CB ASP A 113 17.779 0.862 -11.563 1.00 0.00 C ATOM 1849 CG ASP A 113 18.621 2.115 -11.883 1.00 0.00 C ATOM 1850 OD1 ASP A 113 18.732 3.093 -11.142 1.00 0.00 O ATOM 1851 OD2 ASP A 113 19.235 2.007 -13.096 1.00 0.00 O ATOM 0 H ASP A 113 16.155 2.702 -10.969 1.00 0.00 H new ATOM 0 HA ASP A 113 16.366 -0.089 -10.140 1.00 0.00 H new ATOM 0 HB2 ASP A 113 18.460 0.012 -11.512 1.00 0.00 H new ATOM 0 HB3 ASP A 113 17.114 0.688 -12.409 1.00 0.00 H new ATOM 1857 N GLU A 114 17.658 1.839 -8.060 1.00 0.00 N ATOM 1858 CA GLU A 114 18.628 2.072 -6.958 1.00 0.00 C ATOM 1859 C GLU A 114 17.987 1.882 -5.553 1.00 0.00 C ATOM 1860 O GLU A 114 16.887 2.359 -5.276 1.00 0.00 O ATOM 1861 CB GLU A 114 19.242 3.485 -7.150 1.00 0.00 C ATOM 1862 CG GLU A 114 20.349 3.534 -8.236 1.00 0.00 C ATOM 1863 CD GLU A 114 20.622 4.930 -8.781 1.00 0.00 C ATOM 1864 OE1 GLU A 114 21.250 5.783 -8.158 1.00 0.00 O ATOM 1865 OE2 GLU A 114 20.090 5.113 -10.030 1.00 0.00 O ATOM 0 H GLU A 114 16.866 2.482 -8.051 1.00 0.00 H new ATOM 0 HA GLU A 114 19.420 1.325 -7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.450 4.184 -7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.659 3.824 -6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 114 21.272 3.132 -7.818 1.00 0.00 H new ATOM 0 HG3 GLU A 114 20.063 2.883 -9.062 1.00 0.00 H new ATOM 1873 N LEU A 115 18.709 1.190 -4.661 1.00 0.00 N ATOM 1874 CA LEU A 115 18.314 1.013 -3.237 1.00 0.00 C ATOM 1875 C LEU A 115 19.007 2.117 -2.377 1.00 0.00 C ATOM 1876 O LEU A 115 20.236 2.232 -2.338 1.00 0.00 O ATOM 1877 CB LEU A 115 18.653 -0.457 -2.851 1.00 0.00 C ATOM 1878 CG LEU A 115 18.608 -0.861 -1.353 1.00 0.00 C ATOM 1879 CD1 LEU A 115 17.160 -1.097 -0.917 1.00 0.00 C ATOM 1880 CD2 LEU A 115 19.422 -2.143 -1.105 1.00 0.00 C ATOM 0 H LEU A 115 19.589 0.731 -4.897 1.00 0.00 H new ATOM 0 HA LEU A 115 17.248 1.149 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 115 17.965 -1.108 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.654 -0.674 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 115 19.042 -0.047 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 115 17.138 -1.380 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 115 16.584 -0.183 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.725 -1.897 -1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 115 19.375 -2.405 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 115 19.008 -2.957 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 115 20.460 -1.976 -1.391 1.00 0.00 H new ATOM 1892 N HIS A 116 18.201 2.932 -1.689 1.00 0.00 N ATOM 1893 CA HIS A 116 18.699 4.072 -0.876 1.00 0.00 C ATOM 1894 C HIS A 116 18.498 3.746 0.633 1.00 0.00 C ATOM 1895 O HIS A 116 17.376 3.517 1.101 1.00 0.00 O ATOM 1896 CB HIS A 116 17.958 5.366 -1.301 1.00 0.00 C ATOM 1897 CG HIS A 116 18.464 6.023 -2.589 1.00 0.00 C ATOM 1898 ND1 HIS A 116 18.305 5.483 -3.859 1.00 0.00 N ATOM 1899 CD2 HIS A 116 19.160 7.242 -2.654 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.950 6.445 -4.592 1.00 0.00 C ATOM 1901 NE2 HIS A 116 19.483 7.540 -3.965 1.00 0.00 N ATOM 0 H HIS A 116 17.186 2.830 -1.673 1.00 0.00 H new ATOM 0 HA HIS A 116 19.764 4.232 -1.043 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.900 5.134 -1.423 1.00 0.00 H new ATOM 0 HB3 HIS A 116 18.034 6.090 -0.490 1.00 0.00 H new ATOM 0 HD2 HIS A 116 19.407 7.858 -1.802 1.00 0.00 H new ATOM 0 HE1 HIS A 116 19.038 6.340 -5.663 1.00 0.00 H new ATOM 0 HE2 HIS A 116 19.976 8.344 -4.353 1.00 0.00 H new ATOM 1909 N LEU A 117 19.612 3.722 1.378 1.00 0.00 N ATOM 1910 CA LEU A 117 19.629 3.362 2.818 1.00 0.00 C ATOM 1911 C LEU A 117 20.219 4.546 3.645 1.00 0.00 C ATOM 1912 O LEU A 117 21.375 4.942 3.452 1.00 0.00 O ATOM 1913 CB LEU A 117 20.464 2.058 2.953 1.00 0.00 C ATOM 1914 CG LEU A 117 20.596 1.469 4.383 1.00 0.00 C ATOM 1915 CD1 LEU A 117 19.276 0.895 4.923 1.00 0.00 C ATOM 1916 CD2 LEU A 117 21.675 0.378 4.400 1.00 0.00 C ATOM 0 H LEU A 117 20.533 3.951 1.005 1.00 0.00 H new ATOM 0 HA LEU A 117 18.628 3.182 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 117 20.018 1.299 2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.466 2.252 2.570 1.00 0.00 H new ATOM 0 HG LEU A 117 20.878 2.294 5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.435 0.499 5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.524 1.683 4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 117 18.932 0.095 4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 117 21.763 -0.031 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 117 21.399 -0.417 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 117 22.631 0.807 4.098 1.00 0.00 H new ATOM 1928 N GLU A 118 19.440 5.072 4.604 1.00 0.00 N ATOM 1929 CA GLU A 118 19.956 6.033 5.620 1.00 0.00 C ATOM 1930 C GLU A 118 20.046 5.332 7.006 1.00 0.00 C ATOM 1931 O GLU A 118 19.017 4.917 7.544 1.00 0.00 O ATOM 1932 CB GLU A 118 19.056 7.293 5.707 1.00 0.00 C ATOM 1933 CG GLU A 118 19.050 8.184 4.445 1.00 0.00 C ATOM 1934 CD GLU A 118 18.324 9.510 4.655 1.00 0.00 C ATOM 1935 OE1 GLU A 118 17.102 9.624 4.612 1.00 0.00 O ATOM 1936 OE2 GLU A 118 19.188 10.540 4.897 1.00 0.00 O ATOM 0 H GLU A 118 18.449 4.854 4.706 1.00 0.00 H new ATOM 0 HA GLU A 118 20.951 6.357 5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 118 18.034 6.976 5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 118 19.381 7.895 6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 118 20.078 8.383 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.576 7.642 3.627 1.00 0.00 H new ATOM 1944 N MET A 119 21.251 5.211 7.589 1.00 0.00 N ATOM 1945 CA MET A 119 21.453 4.521 8.899 1.00 0.00 C ATOM 1946 C MET A 119 21.830 5.539 10.017 1.00 0.00 C ATOM 1947 O MET A 119 22.782 6.308 9.861 1.00 0.00 O ATOM 1948 CB MET A 119 22.529 3.408 8.803 1.00 0.00 C ATOM 1949 CG MET A 119 22.361 2.327 7.715 1.00 0.00 C ATOM 1950 SD MET A 119 23.578 1.014 7.939 1.00 0.00 S ATOM 1951 CE MET A 119 25.057 1.837 7.327 1.00 0.00 C ATOM 0 H MET A 119 22.110 5.580 7.181 1.00 0.00 H new ATOM 0 HA MET A 119 20.505 4.050 9.161 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.494 3.890 8.648 1.00 0.00 H new ATOM 0 HB3 MET A 119 22.575 2.905 9.769 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.355 1.910 7.760 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.477 2.774 6.728 1.00 0.00 H new ATOM 0 HE1 MET A 119 25.842 1.099 7.162 1.00 0.00 H new ATOM 0 HE2 MET A 119 24.830 2.342 6.388 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.396 2.569 8.060 1.00 0.00 H new ATOM 1961 N ARG A 120 21.107 5.529 11.149 1.00 0.00 N ATOM 1962 CA ARG A 120 21.359 6.467 12.285 1.00 0.00 C ATOM 1963 C ARG A 120 21.932 5.744 13.542 1.00 0.00 C ATOM 1964 O ARG A 120 21.534 4.617 13.856 1.00 0.00 O ATOM 1965 CB ARG A 120 20.052 7.212 12.668 1.00 0.00 C ATOM 1966 CG ARG A 120 19.478 8.159 11.583 1.00 0.00 C ATOM 1967 CD ARG A 120 18.417 9.147 12.105 1.00 0.00 C ATOM 1968 NE ARG A 120 19.045 10.265 12.861 1.00 0.00 N ATOM 1969 CZ ARG A 120 18.380 11.198 13.536 1.00 0.00 C ATOM 1970 NH1 ARG A 120 17.075 11.201 13.711 1.00 0.00 N ATOM 1971 NH2 ARG A 120 19.066 12.176 14.059 1.00 0.00 N ATOM 0 H ARG A 120 20.336 4.882 11.314 1.00 0.00 H new ATOM 0 HA ARG A 120 22.109 7.180 11.943 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.292 6.471 12.917 1.00 0.00 H new ATOM 0 HB3 ARG A 120 20.238 7.794 13.571 1.00 0.00 H new ATOM 0 HG2 ARG A 120 20.298 8.724 11.139 1.00 0.00 H new ATOM 0 HG3 ARG A 120 19.038 7.558 10.787 1.00 0.00 H new ATOM 0 HD2 ARG A 120 17.846 9.547 11.267 1.00 0.00 H new ATOM 0 HD3 ARG A 120 17.712 8.621 12.749 1.00 0.00 H new ATOM 0 HE ARG A 120 20.064 10.320 12.861 1.00 0.00 H new ATOM 0 HH11 ARG A 120 16.506 10.453 13.316 1.00 0.00 H new ATOM 0 HH12 ARG A 120 16.633 11.952 14.242 1.00 0.00 H new ATOM 0 HH21 ARG A 120 20.079 12.207 13.943 1.00 0.00 H new ATOM 0 HH22 ARG A 120 18.590 12.910 14.584 1.00 0.00 H new ATOM 1985 N ALA A 121 22.832 6.416 14.286 1.00 0.00 N ATOM 1986 CA ALA A 121 23.236 5.993 15.655 1.00 0.00 C ATOM 1987 C ALA A 121 23.854 7.177 16.448 1.00 0.00 C ATOM 1988 O ALA A 121 24.732 7.882 15.943 1.00 0.00 O ATOM 1989 CB ALA A 121 24.237 4.831 15.603 1.00 0.00 C ATOM 0 H ALA A 121 23.301 7.263 13.964 1.00 0.00 H new ATOM 0 HA ALA A 121 22.334 5.658 16.168 1.00 0.00 H new ATOM 0 HB1 ALA A 121 24.514 4.544 16.617 1.00 0.00 H new ATOM 0 HB2 ALA A 121 23.781 3.980 15.097 1.00 0.00 H new ATOM 0 HB3 ALA A 121 25.128 5.143 15.058 1.00 0.00 H new ATOM 1995 N GLU A 122 23.400 7.407 17.696 1.00 0.00 N ATOM 1996 CA GLU A 122 23.813 8.600 18.519 1.00 0.00 C ATOM 1997 C GLU A 122 23.481 9.997 17.860 1.00 0.00 C ATOM 1998 O GLU A 122 24.290 10.929 17.894 1.00 0.00 O ATOM 1999 CB GLU A 122 25.295 8.486 19.002 1.00 0.00 C ATOM 2000 CG GLU A 122 25.738 7.173 19.700 1.00 0.00 C ATOM 2001 CD GLU A 122 25.385 7.076 21.183 1.00 0.00 C ATOM 2002 OE1 GLU A 122 24.247 6.869 21.594 1.00 0.00 O ATOM 2003 OE2 GLU A 122 26.475 7.243 21.987 1.00 0.00 O ATOM 0 H GLU A 122 22.744 6.789 18.173 1.00 0.00 H new ATOM 0 HA GLU A 122 23.183 8.573 19.408 1.00 0.00 H new ATOM 0 HB2 GLU A 122 25.940 8.637 18.137 1.00 0.00 H new ATOM 0 HB3 GLU A 122 25.486 9.310 19.690 1.00 0.00 H new ATOM 0 HG2 GLU A 122 25.283 6.331 19.178 1.00 0.00 H new ATOM 0 HG3 GLU A 122 26.818 7.069 19.592 1.00 0.00 H new ATOM 2011 N GLY A 123 22.319 10.114 17.186 1.00 0.00 N ATOM 2012 CA GLY A 123 22.073 11.189 16.180 1.00 0.00 C ATOM 2013 C GLY A 123 22.724 11.085 14.767 1.00 0.00 C ATOM 2014 O GLY A 123 22.206 11.680 13.819 1.00 0.00 O ATOM 0 H GLY A 123 21.530 9.481 17.314 1.00 0.00 H new ATOM 0 HA2 GLY A 123 20.995 11.262 16.038 1.00 0.00 H new ATOM 0 HA3 GLY A 123 22.401 12.130 16.622 1.00 0.00 H new ATOM 2018 N VAL A 124 23.863 10.387 14.615 1.00 0.00 N ATOM 2019 CA VAL A 124 24.758 10.501 13.427 1.00 0.00 C ATOM 2020 C VAL A 124 24.212 9.642 12.245 1.00 0.00 C ATOM 2021 O VAL A 124 24.056 8.425 12.370 1.00 0.00 O ATOM 2022 CB VAL A 124 26.220 10.098 13.827 1.00 0.00 C ATOM 2023 CG1 VAL A 124 27.204 10.066 12.637 1.00 0.00 C ATOM 2024 CG2 VAL A 124 26.846 11.015 14.909 1.00 0.00 C ATOM 0 H VAL A 124 24.199 9.722 15.311 1.00 0.00 H new ATOM 0 HA VAL A 124 24.779 11.535 13.083 1.00 0.00 H new ATOM 0 HB VAL A 124 26.088 9.092 14.225 1.00 0.00 H new ATOM 0 HG11 VAL A 124 28.194 9.779 12.991 1.00 0.00 H new ATOM 0 HG12 VAL A 124 26.859 9.342 11.899 1.00 0.00 H new ATOM 0 HG13 VAL A 124 27.254 11.054 12.180 1.00 0.00 H new ATOM 0 HG21 VAL A 124 27.857 10.675 15.134 1.00 0.00 H new ATOM 0 HG22 VAL A 124 26.882 12.040 14.541 1.00 0.00 H new ATOM 0 HG23 VAL A 124 26.240 10.976 15.814 1.00 0.00 H new ATOM 2034 N THR A 125 23.969 10.290 11.095 1.00 0.00 N ATOM 2035 CA THR A 125 23.370 9.626 9.902 1.00 0.00 C ATOM 2036 C THR A 125 24.459 9.269 8.838 1.00 0.00 C ATOM 2037 O THR A 125 25.127 10.154 8.293 1.00 0.00 O ATOM 2038 CB THR A 125 22.235 10.523 9.316 1.00 0.00 C ATOM 2039 OG1 THR A 125 21.325 10.907 10.344 1.00 0.00 O ATOM 2040 CG2 THR A 125 21.386 9.832 8.233 1.00 0.00 C ATOM 0 H THR A 125 24.176 11.279 10.955 1.00 0.00 H new ATOM 0 HA THR A 125 22.926 8.679 10.208 1.00 0.00 H new ATOM 0 HB THR A 125 22.756 11.372 8.873 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.620 11.470 9.963 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.620 10.521 7.877 1.00 0.00 H new ATOM 0 HG22 THR A 125 22.026 9.539 7.401 1.00 0.00 H new ATOM 0 HG23 THR A 125 20.910 8.946 8.654 1.00 0.00 H new ATOM 2048 N CYS A 126 24.582 7.975 8.502 1.00 0.00 N ATOM 2049 CA CYS A 126 25.238 7.516 7.251 1.00 0.00 C ATOM 2050 C CYS A 126 24.239 7.431 6.058 1.00 0.00 C ATOM 2051 O CYS A 126 23.119 6.935 6.217 1.00 0.00 O ATOM 2052 CB CYS A 126 25.831 6.121 7.529 1.00 0.00 C ATOM 2053 SG CYS A 126 26.579 5.422 6.018 1.00 0.00 S ATOM 0 H CYS A 126 24.233 7.213 9.083 1.00 0.00 H new ATOM 0 HA CYS A 126 26.008 8.234 6.967 1.00 0.00 H new ATOM 0 HB2 CYS A 126 26.584 6.191 8.314 1.00 0.00 H new ATOM 0 HB3 CYS A 126 25.050 5.455 7.895 1.00 0.00 H new ATOM 0 HG CYS A 126 27.183 4.308 6.308 1.00 0.00 H new ATOM 2059 N LYS A 127 24.665 7.849 4.853 1.00 0.00 N ATOM 2060 CA LYS A 127 23.903 7.577 3.598 1.00 0.00 C ATOM 2061 C LYS A 127 24.685 6.529 2.739 1.00 0.00 C ATOM 2062 O LYS A 127 25.874 6.698 2.443 1.00 0.00 O ATOM 2063 CB LYS A 127 23.598 8.883 2.812 1.00 0.00 C ATOM 2064 CG LYS A 127 22.757 9.946 3.565 1.00 0.00 C ATOM 2065 CD LYS A 127 22.214 11.094 2.687 1.00 0.00 C ATOM 2066 CE LYS A 127 21.081 10.689 1.725 1.00 0.00 C ATOM 2067 NZ LYS A 127 20.607 11.873 0.982 1.00 0.00 N ATOM 0 H LYS A 127 25.527 8.375 4.711 1.00 0.00 H new ATOM 0 HA LYS A 127 22.931 7.156 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 127 24.545 9.337 2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 127 23.074 8.617 1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.915 9.447 4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 127 23.368 10.375 4.359 1.00 0.00 H new ATOM 0 HD2 LYS A 127 21.852 11.891 3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 127 23.037 11.507 2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 127 21.437 9.930 1.028 1.00 0.00 H new ATOM 0 HE3 LYS A 127 20.257 10.246 2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 19.843 11.593 0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 20.250 12.584 1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 21.394 12.277 0.435 1.00 0.00 H new ATOM 2080 N GLN A 128 24.009 5.435 2.355 1.00 0.00 N ATOM 2081 CA GLN A 128 24.566 4.395 1.446 1.00 0.00 C ATOM 2082 C GLN A 128 23.634 4.233 0.205 1.00 0.00 C ATOM 2083 O GLN A 128 22.427 3.991 0.341 1.00 0.00 O ATOM 2084 CB GLN A 128 24.718 3.052 2.208 1.00 0.00 C ATOM 2085 CG GLN A 128 25.896 3.002 3.213 1.00 0.00 C ATOM 2086 CD GLN A 128 26.088 1.655 3.919 1.00 0.00 C ATOM 2087 OE1 GLN A 128 25.219 0.793 4.001 1.00 0.00 O ATOM 2088 NE2 GLN A 128 27.247 1.431 4.482 1.00 0.00 N ATOM 0 H GLN A 128 23.057 5.237 2.662 1.00 0.00 H new ATOM 0 HA GLN A 128 25.553 4.701 1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 128 23.792 2.849 2.746 1.00 0.00 H new ATOM 0 HB3 GLN A 128 24.846 2.251 1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.816 3.253 2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 128 25.742 3.773 3.968 1.00 0.00 H new ATOM 0 HE21 GLN A 128 27.985 2.133 4.427 1.00 0.00 H new ATOM 0 HE22 GLN A 128 27.413 0.554 4.976 1.00 0.00 H new ATOM 2097 N VAL A 129 24.206 4.352 -1.007 1.00 0.00 N ATOM 2098 CA VAL A 129 23.438 4.205 -2.283 1.00 0.00 C ATOM 2099 C VAL A 129 23.867 2.863 -2.959 1.00 0.00 C ATOM 2100 O VAL A 129 25.054 2.563 -3.113 1.00 0.00 O ATOM 2101 CB VAL A 129 23.610 5.448 -3.225 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.836 5.311 -4.560 1.00 0.00 C ATOM 2103 CG2 VAL A 129 23.139 6.773 -2.579 1.00 0.00 C ATOM 0 H VAL A 129 25.197 4.550 -1.142 1.00 0.00 H new ATOM 0 HA VAL A 129 22.370 4.167 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 129 24.684 5.477 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.996 6.203 -5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 129 23.195 4.435 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.772 5.199 -4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 129 23.285 7.593 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 129 22.082 6.698 -2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.718 6.963 -1.675 1.00 0.00 H new ATOM 2113 N PHE A 130 22.869 2.084 -3.389 1.00 0.00 N ATOM 2114 CA PHE A 130 23.054 0.768 -4.055 1.00 0.00 C ATOM 2115 C PHE A 130 22.391 0.746 -5.473 1.00 0.00 C ATOM 2116 O PHE A 130 21.393 1.428 -5.708 1.00 0.00 O ATOM 2117 CB PHE A 130 22.394 -0.302 -3.143 1.00 0.00 C ATOM 2118 CG PHE A 130 23.184 -0.806 -1.933 1.00 0.00 C ATOM 2119 CD1 PHE A 130 23.155 -0.115 -0.717 1.00 0.00 C ATOM 2120 CD2 PHE A 130 23.839 -2.036 -2.009 1.00 0.00 C ATOM 2121 CE1 PHE A 130 23.772 -0.657 0.408 1.00 0.00 C ATOM 2122 CE2 PHE A 130 24.470 -2.568 -0.892 1.00 0.00 C ATOM 2123 CZ PHE A 130 24.425 -1.886 0.320 1.00 0.00 C ATOM 0 H PHE A 130 21.888 2.345 -3.287 1.00 0.00 H new ATOM 0 HA PHE A 130 24.116 0.569 -4.196 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.451 0.106 -2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 130 22.149 -1.164 -3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 130 22.654 0.839 -0.650 1.00 0.00 H new ATOM 0 HD2 PHE A 130 23.855 -2.578 -2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 130 23.745 -0.126 1.348 1.00 0.00 H new ATOM 0 HE2 PHE A 130 24.995 -3.509 -0.964 1.00 0.00 H new ATOM 0 HZ PHE A 130 24.897 -2.309 1.194 1.00 0.00 H new ATOM 2133 N LYS A 131 22.899 -0.089 -6.399 1.00 0.00 N ATOM 2134 CA LYS A 131 22.308 -0.281 -7.760 1.00 0.00 C ATOM 2135 C LYS A 131 21.901 -1.774 -8.007 1.00 0.00 C ATOM 2136 O LYS A 131 22.667 -2.694 -7.700 1.00 0.00 O ATOM 2137 CB LYS A 131 23.338 0.256 -8.797 1.00 0.00 C ATOM 2138 CG LYS A 131 22.776 0.616 -10.193 1.00 0.00 C ATOM 2139 CD LYS A 131 22.705 -0.561 -11.188 1.00 0.00 C ATOM 2140 CE LYS A 131 21.689 -0.294 -12.306 1.00 0.00 C ATOM 2141 NZ LYS A 131 21.547 -1.486 -13.161 1.00 0.00 N ATOM 0 H LYS A 131 23.731 -0.655 -6.236 1.00 0.00 H new ATOM 0 HA LYS A 131 21.378 0.279 -7.860 1.00 0.00 H new ATOM 0 HB2 LYS A 131 23.814 1.144 -8.380 1.00 0.00 H new ATOM 0 HB3 LYS A 131 24.119 -0.494 -8.925 1.00 0.00 H new ATOM 0 HG2 LYS A 131 21.775 1.030 -10.070 1.00 0.00 H new ATOM 0 HG3 LYS A 131 23.395 1.402 -10.626 1.00 0.00 H new ATOM 0 HD2 LYS A 131 23.690 -0.730 -11.623 1.00 0.00 H new ATOM 0 HD3 LYS A 131 22.431 -1.472 -10.656 1.00 0.00 H new ATOM 0 HE2 LYS A 131 20.724 -0.030 -11.874 1.00 0.00 H new ATOM 0 HE3 LYS A 131 22.013 0.556 -12.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 20.762 -1.343 -13.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 22.429 -1.640 -13.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 21.350 -2.317 -12.568 1.00 0.00 H new ATOM 2154 N LYS A 132 20.713 -2.019 -8.604 1.00 0.00 N ATOM 2155 CA LYS A 132 20.210 -3.395 -8.889 1.00 0.00 C ATOM 2156 C LYS A 132 20.966 -4.105 -10.058 1.00 0.00 C ATOM 2157 O LYS A 132 20.957 -3.633 -11.200 1.00 0.00 O ATOM 2158 CB LYS A 132 18.688 -3.313 -9.203 1.00 0.00 C ATOM 2159 CG LYS A 132 17.918 -4.639 -8.996 1.00 0.00 C ATOM 2160 CD LYS A 132 16.406 -4.473 -9.241 1.00 0.00 C ATOM 2161 CE LYS A 132 15.621 -5.761 -8.951 1.00 0.00 C ATOM 2162 NZ LYS A 132 14.177 -5.536 -9.150 1.00 0.00 N ATOM 0 H LYS A 132 20.076 -1.280 -8.902 1.00 0.00 H new ATOM 0 HA LYS A 132 20.394 -4.003 -8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 132 18.240 -2.545 -8.572 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.560 -2.991 -10.236 1.00 0.00 H new ATOM 0 HG2 LYS A 132 18.314 -5.397 -9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 132 18.083 -4.999 -7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 132 16.025 -3.669 -8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 132 16.239 -4.174 -10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.965 -6.560 -9.607 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.808 -6.086 -7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 13.658 -6.415 -8.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 13.850 -4.787 -8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 14.003 -5.247 -10.134 1.00 0.00 H new ATOM 2175 N VAL A 133 21.586 -5.257 -9.768 1.00 0.00 N ATOM 2176 CA VAL A 133 22.257 -6.113 -10.801 1.00 0.00 C ATOM 2177 C VAL A 133 21.399 -7.355 -11.226 1.00 0.00 C ATOM 2178 O VAL A 133 21.303 -7.627 -12.425 1.00 0.00 O ATOM 2179 CB VAL A 133 23.746 -6.448 -10.438 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.622 -5.183 -10.303 1.00 0.00 C ATOM 2181 CG2 VAL A 133 23.960 -7.309 -9.176 1.00 0.00 C ATOM 0 H VAL A 133 21.646 -5.635 -8.822 1.00 0.00 H new ATOM 0 HA VAL A 133 22.320 -5.507 -11.705 1.00 0.00 H new ATOM 0 HB VAL A 133 24.055 -7.050 -11.293 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.642 -5.472 -10.051 1.00 0.00 H new ATOM 0 HG12 VAL A 133 24.622 -4.638 -11.247 1.00 0.00 H new ATOM 0 HG13 VAL A 133 24.221 -4.545 -9.516 1.00 0.00 H new ATOM 0 HG21 VAL A 133 25.027 -7.475 -9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.547 -6.793 -8.309 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.457 -8.268 -9.300 1.00 0.00 H new ATOM 2191 N HIS A 134 20.766 -8.087 -10.283 1.00 0.00 N ATOM 2192 CA HIS A 134 19.744 -9.115 -10.607 1.00 0.00 C ATOM 2193 C HIS A 134 18.353 -8.545 -10.236 1.00 0.00 C ATOM 2194 O HIS A 134 17.555 -8.271 -11.160 1.00 0.00 O ATOM 2195 CB HIS A 134 20.107 -10.434 -9.874 1.00 0.00 C ATOM 2196 CG HIS A 134 19.242 -11.638 -10.243 1.00 0.00 C ATOM 2197 ND1 HIS A 134 18.199 -12.101 -9.468 1.00 0.00 N ATOM 2198 CD2 HIS A 134 19.369 -12.432 -11.396 1.00 0.00 C ATOM 2199 CE1 HIS A 134 17.773 -13.150 -10.240 1.00 0.00 C ATOM 2200 NE2 HIS A 134 18.410 -13.435 -11.421 1.00 0.00 N ATOM 2201 OXT HIS A 134 18.054 -8.368 -9.033 1.00 0.00 O ATOM 0 H HIS A 134 20.945 -7.986 -9.284 1.00 0.00 H new ATOM 0 HA HIS A 134 19.717 -9.355 -11.670 1.00 0.00 H new ATOM 0 HB2 HIS A 134 21.148 -10.675 -10.087 1.00 0.00 H new ATOM 0 HB3 HIS A 134 20.032 -10.267 -8.799 1.00 0.00 H new ATOM 0 HD2 HIS A 134 20.115 -12.281 -12.162 1.00 0.00 H new ATOM 0 HE1 HIS A 134 16.936 -13.752 -9.919 1.00 0.00 H new ATOM 0 HE2 HIS A 134 18.232 -14.165 -12.111 1.00 0.00 H new