USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 848 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: B 49 THR OG1 : rot -34:sc= 0.665 USER MOD Set 1.2: B 51 THR OG1 : rot 60:sc= 1.25 USER MOD Set 2.1: B 8 ASN : amide:sc= 0.62 K(o=0.62,f=0.0083) USER MOD Set 2.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 49 THR OG1 : rot -49:sc= 1.17 USER MOD Set 3.2: A 51 THR OG1 : rot 59:sc= 0.896 USER MOD Set 4.1: A 8 ASN : amide:sc= 0.121 K(o=0.23,f=-2) USER MOD Set 4.2: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.3: A 55 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.00227) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.745 (180deg=0.197) USER MOD Single : A 2 GLN : amide:sc= 0.435 X(o=0.43,f=0) USER MOD Single : A 3 TYR OH : rot 99:sc= 0.0768 USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= 0.905 (180deg=0.793) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -170:sc= -0.0238 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 55:sc= 1.28 USER MOD Single : A 25 THR OG1 : rot 95:sc= 1.2 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= 1.96 (180deg=1.84) USER MOD Single : A 32 GLN : amide:sc= 0.0698 X(o=0.07,f=-0.056) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 1.66 K(o=1.7,f=-5.3!) USER MOD Single : A 37 ASN : amide:sc= 0.423 K(o=0.42,f=-4.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -159:sc= 1.21 USER MOD Single : A 50 LYS NZ :NH3+ -148:sc= 1.27 (180deg=0.747) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 173:sc= 0.576 (180deg=0.545) USER MOD Single : B 2 GLN : amide:sc= 0.704 K(o=0.7,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc=-0.00186 USER MOD Single : B 4 LYS NZ :NH3+ 168:sc= 0.876 (180deg=0.784) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0.00907 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot 180:sc= -0.025 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 63:sc= 1.26 USER MOD Single : B 25 THR OG1 : rot -130:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 164:sc= 1.17 (180deg=0.96) USER MOD Single : B 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 33 TYR OH : rot 165:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.639 K(o=0.64,f=0) USER MOD Single : B 37 ASN : amide:sc= 1.97 K(o=2,f=-5.6!) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.048 8.967 -17.308 1.00 0.00 N ATOM 2 CA MET A 1 -5.286 8.313 -16.809 1.00 0.00 C ATOM 3 C MET A 1 -5.064 7.659 -15.444 1.00 0.00 C ATOM 4 O MET A 1 -3.922 7.463 -15.025 1.00 0.00 O ATOM 5 CB MET A 1 -5.878 7.327 -17.837 1.00 0.00 C ATOM 6 CG MET A 1 -5.084 6.026 -18.031 1.00 0.00 C ATOM 7 SD MET A 1 -5.788 4.911 -19.270 1.00 0.00 S ATOM 8 CE MET A 1 -5.289 5.741 -20.804 1.00 0.00 C ATOM 0 H1 MET A 1 -3.963 8.813 -18.333 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.092 9.988 -17.114 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.221 8.559 -16.826 1.00 0.00 H new ATOM 0 HA MET A 1 -6.030 9.098 -16.671 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.892 7.072 -17.529 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.955 7.833 -18.799 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.063 6.275 -18.320 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.026 5.502 -17.077 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.636 5.162 -21.660 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.729 6.738 -20.838 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.203 5.822 -20.837 1.00 0.00 H new ATOM 20 N GLN A 2 -6.149 7.319 -14.743 1.00 0.00 N ATOM 21 CA GLN A 2 -6.111 6.591 -13.462 1.00 0.00 C ATOM 22 C GLN A 2 -5.744 5.102 -13.655 1.00 0.00 C ATOM 23 O GLN A 2 -6.280 4.435 -14.543 1.00 0.00 O ATOM 24 CB GLN A 2 -7.486 6.692 -12.770 1.00 0.00 C ATOM 25 CG GLN A 2 -7.423 6.440 -11.255 1.00 0.00 C ATOM 26 CD GLN A 2 -7.192 7.721 -10.482 1.00 0.00 C ATOM 27 OE1 GLN A 2 -8.126 8.407 -10.088 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.953 8.082 -10.242 1.00 0.00 N ATOM 0 H GLN A 2 -7.095 7.543 -15.050 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.340 7.049 -12.843 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.904 7.683 -12.950 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.167 5.972 -13.223 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.353 5.978 -10.924 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.622 5.734 -11.037 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.180 7.505 -10.574 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.763 8.940 -9.724 1.00 0.00 H new ATOM 37 N TYR A 3 -4.846 4.586 -12.816 1.00 0.00 N ATOM 38 CA TYR A 3 -4.502 3.161 -12.676 1.00 0.00 C ATOM 39 C TYR A 3 -4.659 2.679 -11.219 1.00 0.00 C ATOM 40 O TYR A 3 -4.599 3.493 -10.292 1.00 0.00 O ATOM 41 CB TYR A 3 -3.077 2.929 -13.190 1.00 0.00 C ATOM 42 CG TYR A 3 -2.915 3.102 -14.689 1.00 0.00 C ATOM 43 CD1 TYR A 3 -3.110 2.002 -15.545 1.00 0.00 C ATOM 44 CD2 TYR A 3 -2.558 4.352 -15.233 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.968 2.155 -16.936 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.394 4.497 -16.623 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.617 3.403 -17.474 1.00 0.00 C ATOM 48 OH TYR A 3 -2.491 3.553 -18.821 1.00 0.00 O ATOM 0 H TYR A 3 -4.308 5.176 -12.181 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.196 2.573 -13.276 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.404 3.619 -12.682 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.765 1.921 -12.917 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.369 1.038 -15.133 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.410 5.201 -14.582 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.129 1.311 -17.591 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.097 5.450 -17.035 1.00 0.00 H new ATOM 0 HH TYR A 3 -3.312 3.945 -19.185 1.00 0.00 H new ATOM 58 N LYS A 4 -4.801 1.369 -10.993 1.00 0.00 N ATOM 59 CA LYS A 4 -5.061 0.768 -9.670 1.00 0.00 C ATOM 60 C LYS A 4 -4.192 -0.484 -9.387 1.00 0.00 C ATOM 61 O LYS A 4 -3.804 -1.187 -10.316 1.00 0.00 O ATOM 62 CB LYS A 4 -6.567 0.445 -9.602 1.00 0.00 C ATOM 63 CG LYS A 4 -7.039 0.005 -8.209 1.00 0.00 C ATOM 64 CD LYS A 4 -8.533 -0.334 -8.185 1.00 0.00 C ATOM 65 CE LYS A 4 -8.870 -0.846 -6.783 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.263 -1.314 -6.669 1.00 0.00 N ATOM 0 H LYS A 4 -4.738 0.676 -11.739 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.782 1.478 -8.891 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.133 1.325 -9.907 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.794 -0.344 -10.319 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.465 -0.866 -7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.837 0.800 -7.491 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.129 0.547 -8.424 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.766 -1.090 -8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.195 -1.662 -6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.698 -0.050 -6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.379 -1.847 -5.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.905 -0.496 -6.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.489 -1.930 -7.476 1.00 0.00 H new ATOM 80 N LEU A 5 -3.940 -0.794 -8.111 1.00 0.00 N ATOM 81 CA LEU A 5 -3.130 -1.911 -7.599 1.00 0.00 C ATOM 82 C LEU A 5 -3.869 -2.646 -6.462 1.00 0.00 C ATOM 83 O LEU A 5 -4.268 -2.022 -5.478 1.00 0.00 O ATOM 84 CB LEU A 5 -1.801 -1.312 -7.094 1.00 0.00 C ATOM 85 CG LEU A 5 -0.607 -2.228 -6.763 1.00 0.00 C ATOM 86 CD1 LEU A 5 -0.806 -3.116 -5.539 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.195 -3.098 -7.945 1.00 0.00 C ATOM 0 H LEU A 5 -4.324 -0.231 -7.351 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.946 -2.645 -8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.462 -0.601 -7.847 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.027 -0.740 -6.194 1.00 0.00 H new ATOM 0 HG LEU A 5 0.192 -1.525 -6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.084 -3.725 -5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.978 -2.493 -4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.667 -3.766 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.650 -3.724 -7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.032 -3.731 -8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.092 -2.462 -8.782 1.00 0.00 H new ATOM 99 N ILE A 6 -4.017 -3.965 -6.575 1.00 0.00 N ATOM 100 CA ILE A 6 -4.596 -4.855 -5.551 1.00 0.00 C ATOM 101 C ILE A 6 -3.482 -5.695 -4.912 1.00 0.00 C ATOM 102 O ILE A 6 -2.706 -6.335 -5.625 1.00 0.00 O ATOM 103 CB ILE A 6 -5.665 -5.785 -6.178 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.755 -4.951 -6.885 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.260 -6.729 -5.108 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.806 -5.776 -7.633 1.00 0.00 C ATOM 0 H ILE A 6 -3.728 -4.470 -7.413 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.076 -4.245 -4.786 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.191 -6.412 -6.933 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.259 -4.333 -6.142 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.274 -4.274 -7.591 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.009 -7.374 -5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.466 -7.342 -4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.726 -6.138 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.530 -5.107 -8.098 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.319 -6.375 -8.403 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.318 -6.434 -6.932 1.00 0.00 H new ATOM 118 N LEU A 7 -3.420 -5.732 -3.582 1.00 0.00 N ATOM 119 CA LEU A 7 -2.408 -6.445 -2.805 1.00 0.00 C ATOM 120 C LEU A 7 -3.014 -7.643 -2.050 1.00 0.00 C ATOM 121 O LEU A 7 -3.881 -7.497 -1.182 1.00 0.00 O ATOM 122 CB LEU A 7 -1.684 -5.463 -1.870 1.00 0.00 C ATOM 123 CG LEU A 7 -0.559 -6.134 -1.061 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.608 -6.600 -1.931 1.00 0.00 C ATOM 125 CD2 LEU A 7 -0.013 -5.153 -0.039 1.00 0.00 C ATOM 0 H LEU A 7 -4.099 -5.248 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.668 -6.865 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.265 -4.648 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.406 -5.022 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.001 -7.010 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.368 -7.064 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.250 -7.325 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.040 -5.744 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.783 -5.629 0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.383 -4.276 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.813 -4.848 0.636 1.00 0.00 H new ATOM 137 N ASN A 8 -2.491 -8.819 -2.383 1.00 0.00 N ATOM 138 CA ASN A 8 -2.751 -10.068 -1.683 1.00 0.00 C ATOM 139 C ASN A 8 -1.464 -10.649 -1.072 1.00 0.00 C ATOM 140 O ASN A 8 -0.391 -10.655 -1.683 1.00 0.00 O ATOM 141 CB ASN A 8 -3.434 -11.074 -2.611 1.00 0.00 C ATOM 142 CG ASN A 8 -4.560 -10.488 -3.434 1.00 0.00 C ATOM 143 OD1 ASN A 8 -5.651 -10.213 -2.944 1.00 0.00 O ATOM 144 ND2 ASN A 8 -4.298 -10.314 -4.706 1.00 0.00 N ATOM 0 H ASN A 8 -1.855 -8.930 -3.173 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.431 -9.856 -0.858 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.688 -11.496 -3.284 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.825 -11.897 -2.013 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.014 -9.937 -5.327 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.378 -10.555 -5.075 1.00 0.00 H new ATOM 151 N GLY A 9 -1.615 -11.164 0.141 1.00 0.00 N ATOM 152 CA GLY A 9 -0.553 -11.775 0.945 1.00 0.00 C ATOM 153 C GLY A 9 -1.044 -12.458 2.225 1.00 0.00 C ATOM 154 O GLY A 9 -2.245 -12.530 2.490 1.00 0.00 O ATOM 0 H GLY A 9 -2.518 -11.170 0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.028 -12.509 0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.172 -11.006 1.213 1.00 0.00 H new ATOM 158 N LYS A 10 -0.100 -12.972 3.013 1.00 0.00 N ATOM 159 CA LYS A 10 -0.345 -13.848 4.173 1.00 0.00 C ATOM 160 C LYS A 10 -0.099 -13.152 5.533 1.00 0.00 C ATOM 161 O LYS A 10 -0.317 -13.741 6.595 1.00 0.00 O ATOM 162 CB LYS A 10 0.517 -15.118 4.020 1.00 0.00 C ATOM 163 CG LYS A 10 0.278 -15.908 2.714 1.00 0.00 C ATOM 164 CD LYS A 10 -1.163 -16.410 2.508 1.00 0.00 C ATOM 165 CE LYS A 10 -1.635 -17.320 3.650 1.00 0.00 C ATOM 166 NZ LYS A 10 -3.001 -17.834 3.417 1.00 0.00 N ATOM 0 H LYS A 10 0.892 -12.788 2.862 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.403 -14.112 4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.568 -14.835 4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.323 -15.776 4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.550 -15.274 1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.951 -16.766 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.834 -15.555 2.427 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.224 -16.954 1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.945 -18.157 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.611 -16.767 4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.282 -18.444 4.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.664 -17.036 3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.019 -18.384 2.534 1.00 0.00 H new ATOM 180 N THR A 11 0.318 -11.884 5.499 1.00 0.00 N ATOM 181 CA THR A 11 0.629 -11.035 6.674 1.00 0.00 C ATOM 182 C THR A 11 0.102 -9.592 6.524 1.00 0.00 C ATOM 183 O THR A 11 -0.104 -8.883 7.512 1.00 0.00 O ATOM 184 CB THR A 11 2.161 -11.000 6.880 1.00 0.00 C ATOM 185 OG1 THR A 11 2.705 -12.305 6.938 1.00 0.00 O ATOM 186 CG2 THR A 11 2.619 -10.278 8.146 1.00 0.00 C ATOM 0 H THR A 11 0.457 -11.390 4.617 1.00 0.00 H new ATOM 0 HA THR A 11 0.128 -11.474 7.537 1.00 0.00 H new ATOM 0 HB THR A 11 2.521 -10.445 6.014 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.675 -12.250 7.067 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.707 -10.304 8.206 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.282 -9.242 8.116 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.195 -10.772 9.020 1.00 0.00 H new ATOM 194 N LEU A 12 -0.158 -9.160 5.287 1.00 0.00 N ATOM 195 CA LEU A 12 -0.731 -7.855 4.944 1.00 0.00 C ATOM 196 C LEU A 12 -1.526 -7.934 3.620 1.00 0.00 C ATOM 197 O LEU A 12 -1.134 -8.655 2.698 1.00 0.00 O ATOM 198 CB LEU A 12 0.422 -6.825 4.946 1.00 0.00 C ATOM 199 CG LEU A 12 0.002 -5.352 4.775 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.948 -4.422 5.531 1.00 0.00 C ATOM 201 CD2 LEU A 12 0.044 -4.923 3.314 1.00 0.00 C ATOM 0 H LEU A 12 0.032 -9.732 4.464 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.468 -7.530 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.969 -6.921 5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.115 -7.081 4.145 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.013 -5.280 5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.629 -3.389 5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.930 -4.669 6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.961 -4.543 5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.258 -3.879 3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.058 -5.038 2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.637 -5.544 2.733 1.00 0.00 H new ATOM 213 N LYS A 13 -2.630 -7.192 3.522 1.00 0.00 N ATOM 214 CA LYS A 13 -3.482 -7.070 2.323 1.00 0.00 C ATOM 215 C LYS A 13 -3.964 -5.619 2.140 1.00 0.00 C ATOM 216 O LYS A 13 -4.048 -4.874 3.117 1.00 0.00 O ATOM 217 CB LYS A 13 -4.710 -7.990 2.452 1.00 0.00 C ATOM 218 CG LYS A 13 -4.378 -9.481 2.283 1.00 0.00 C ATOM 219 CD LYS A 13 -5.606 -10.396 2.448 1.00 0.00 C ATOM 220 CE LYS A 13 -6.822 -10.048 1.573 1.00 0.00 C ATOM 221 NZ LYS A 13 -6.551 -10.160 0.123 1.00 0.00 N ATOM 0 H LYS A 13 -2.975 -6.635 4.303 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.888 -7.362 1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.169 -7.836 3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.449 -7.703 1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.943 -9.641 1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.621 -9.764 3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.305 -11.420 2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.915 -10.373 3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.649 -10.709 1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.144 -9.031 1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.409 -9.913 -0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.782 -9.510 -0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.272 -11.136 -0.104 1.00 0.00 H new ATOM 235 N GLY A 14 -4.312 -5.205 0.919 1.00 0.00 N ATOM 236 CA GLY A 14 -4.755 -3.825 0.655 1.00 0.00 C ATOM 237 C GLY A 14 -5.025 -3.463 -0.809 1.00 0.00 C ATOM 238 O GLY A 14 -5.014 -4.322 -1.693 1.00 0.00 O ATOM 0 H GLY A 14 -4.297 -5.804 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.666 -3.644 1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.997 -3.143 1.041 1.00 0.00 H new ATOM 242 N GLU A 15 -5.268 -2.172 -1.058 1.00 0.00 N ATOM 243 CA GLU A 15 -5.533 -1.569 -2.384 1.00 0.00 C ATOM 244 C GLU A 15 -4.982 -0.144 -2.481 1.00 0.00 C ATOM 245 O GLU A 15 -5.096 0.634 -1.532 1.00 0.00 O ATOM 246 CB GLU A 15 -7.044 -1.493 -2.675 1.00 0.00 C ATOM 247 CG GLU A 15 -7.725 -2.854 -2.818 1.00 0.00 C ATOM 248 CD GLU A 15 -9.219 -2.667 -3.032 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.641 -2.515 -4.199 1.00 0.00 O ATOM 250 OE2 GLU A 15 -9.970 -2.679 -2.031 1.00 0.00 O ATOM 0 H GLU A 15 -5.288 -1.479 -0.310 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.036 -2.214 -3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.530 -0.939 -1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.198 -0.925 -3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.294 -3.399 -3.658 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.549 -3.454 -1.925 1.00 0.00 H new ATOM 257 N THR A 16 -4.424 0.207 -3.640 1.00 0.00 N ATOM 258 CA THR A 16 -3.940 1.571 -3.945 1.00 0.00 C ATOM 259 C THR A 16 -4.271 2.039 -5.372 1.00 0.00 C ATOM 260 O THR A 16 -4.536 1.230 -6.262 1.00 0.00 O ATOM 261 CB THR A 16 -2.425 1.760 -3.685 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.632 1.287 -4.744 1.00 0.00 O ATOM 263 CG2 THR A 16 -1.877 1.082 -2.430 1.00 0.00 C ATOM 0 H THR A 16 -4.290 -0.450 -4.409 1.00 0.00 H new ATOM 0 HA THR A 16 -4.491 2.198 -3.244 1.00 0.00 H new ATOM 0 HB THR A 16 -2.359 2.841 -3.565 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.691 1.282 -4.471 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.808 1.280 -2.347 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.388 1.475 -1.551 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.043 0.007 -2.495 1.00 0.00 H new ATOM 271 N THR A 17 -4.262 3.353 -5.593 1.00 0.00 N ATOM 272 CA THR A 17 -4.630 4.008 -6.865 1.00 0.00 C ATOM 273 C THR A 17 -3.680 5.176 -7.173 1.00 0.00 C ATOM 274 O THR A 17 -3.264 5.896 -6.257 1.00 0.00 O ATOM 275 CB THR A 17 -6.083 4.543 -6.820 1.00 0.00 C ATOM 276 OG1 THR A 17 -6.962 3.691 -6.113 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.692 4.726 -8.206 1.00 0.00 C ATOM 0 H THR A 17 -3.990 4.021 -4.872 1.00 0.00 H new ATOM 0 HA THR A 17 -4.550 3.255 -7.649 1.00 0.00 H new ATOM 0 HB THR A 17 -5.987 5.503 -6.313 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.863 4.077 -6.114 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.710 5.103 -8.109 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.094 5.438 -8.775 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.708 3.768 -8.726 1.00 0.00 H new ATOM 285 N THR A 18 -3.333 5.392 -8.446 1.00 0.00 N ATOM 286 CA THR A 18 -2.391 6.426 -8.917 1.00 0.00 C ATOM 287 C THR A 18 -2.831 6.989 -10.283 1.00 0.00 C ATOM 288 O THR A 18 -3.684 6.407 -10.958 1.00 0.00 O ATOM 289 CB THR A 18 -0.964 5.833 -9.035 1.00 0.00 C ATOM 290 OG1 THR A 18 0.025 6.830 -9.156 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.771 4.900 -10.239 1.00 0.00 C ATOM 0 H THR A 18 -3.712 4.833 -9.210 1.00 0.00 H new ATOM 0 HA THR A 18 -2.388 7.238 -8.190 1.00 0.00 H new ATOM 0 HB THR A 18 -0.855 5.270 -8.108 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.048 7.456 -8.405 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.253 4.527 -10.250 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.462 4.060 -10.163 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.967 5.449 -11.160 1.00 0.00 H new ATOM 299 N GLU A 19 -2.258 8.117 -10.704 1.00 0.00 N ATOM 300 CA GLU A 19 -2.474 8.757 -12.022 1.00 0.00 C ATOM 301 C GLU A 19 -1.146 8.913 -12.758 1.00 0.00 C ATOM 302 O GLU A 19 -0.212 9.527 -12.242 1.00 0.00 O ATOM 303 CB GLU A 19 -3.181 10.111 -11.864 1.00 0.00 C ATOM 304 CG GLU A 19 -3.643 10.675 -13.206 1.00 0.00 C ATOM 305 CD GLU A 19 -4.383 11.988 -12.991 1.00 0.00 C ATOM 306 OE1 GLU A 19 -3.711 13.040 -12.897 1.00 0.00 O ATOM 307 OE2 GLU A 19 -5.632 11.964 -12.934 1.00 0.00 O ATOM 0 H GLU A 19 -1.603 8.638 -10.121 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.122 8.114 -12.617 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.041 9.996 -11.204 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.504 10.820 -11.386 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.784 10.834 -13.858 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.294 9.958 -13.706 1.00 0.00 H new ATOM 314 N ALA A 20 -1.049 8.312 -13.944 1.00 0.00 N ATOM 315 CA ALA A 20 0.159 8.220 -14.743 1.00 0.00 C ATOM 316 C ALA A 20 -0.133 8.509 -16.222 1.00 0.00 C ATOM 317 O ALA A 20 -1.285 8.471 -16.669 1.00 0.00 O ATOM 318 CB ALA A 20 0.711 6.808 -14.573 1.00 0.00 C ATOM 0 H ALA A 20 -1.848 7.859 -14.387 1.00 0.00 H new ATOM 0 HA ALA A 20 0.886 8.961 -14.411 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.622 6.700 -15.161 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.934 6.629 -13.521 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.029 6.084 -14.915 1.00 0.00 H new ATOM 324 N VAL A 21 0.924 8.745 -16.995 1.00 0.00 N ATOM 325 CA VAL A 21 0.792 8.889 -18.460 1.00 0.00 C ATOM 326 C VAL A 21 0.360 7.555 -19.095 1.00 0.00 C ATOM 327 O VAL A 21 -0.575 7.522 -19.900 1.00 0.00 O ATOM 328 CB VAL A 21 2.063 9.495 -19.084 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.328 8.727 -18.705 1.00 0.00 C ATOM 330 CG2 VAL A 21 1.975 9.625 -20.607 1.00 0.00 C ATOM 0 H VAL A 21 1.877 8.841 -16.645 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.002 9.604 -18.677 1.00 0.00 H new ATOM 0 HB VAL A 21 2.131 10.498 -18.662 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.193 9.198 -19.172 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.450 8.738 -17.622 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.245 7.696 -19.050 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.899 10.058 -20.989 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.826 8.639 -21.048 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.137 10.270 -20.869 1.00 0.00 H new ATOM 340 N ASP A 22 0.980 6.451 -18.661 1.00 0.00 N ATOM 341 CA ASP A 22 0.743 5.090 -19.163 1.00 0.00 C ATOM 342 C ASP A 22 0.970 3.994 -18.111 1.00 0.00 C ATOM 343 O ASP A 22 1.556 4.218 -17.051 1.00 0.00 O ATOM 344 CB ASP A 22 1.649 4.850 -20.399 1.00 0.00 C ATOM 345 CG ASP A 22 3.171 5.054 -20.193 1.00 0.00 C ATOM 346 OD1 ASP A 22 3.659 5.036 -19.036 1.00 0.00 O ATOM 347 OD2 ASP A 22 3.881 5.231 -21.212 1.00 0.00 O ATOM 0 H ASP A 22 1.685 6.481 -17.925 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.311 5.022 -19.434 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.486 3.830 -20.748 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.321 5.516 -21.197 1.00 0.00 H new ATOM 352 N ALA A 23 0.508 2.790 -18.443 1.00 0.00 N ATOM 353 CA ALA A 23 0.642 1.570 -17.644 1.00 0.00 C ATOM 354 C ALA A 23 2.098 1.233 -17.263 1.00 0.00 C ATOM 355 O ALA A 23 2.334 0.562 -16.263 1.00 0.00 O ATOM 356 CB ALA A 23 0.002 0.414 -18.424 1.00 0.00 C ATOM 0 H ALA A 23 0.007 2.629 -19.317 1.00 0.00 H new ATOM 0 HA ALA A 23 0.130 1.733 -16.696 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.090 -0.507 -17.847 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.051 0.633 -18.600 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.512 0.294 -19.380 1.00 0.00 H new ATOM 362 N ALA A 24 3.079 1.717 -18.030 1.00 0.00 N ATOM 363 CA ALA A 24 4.497 1.541 -17.779 1.00 0.00 C ATOM 364 C ALA A 24 4.968 2.484 -16.660 1.00 0.00 C ATOM 365 O ALA A 24 5.668 2.058 -15.744 1.00 0.00 O ATOM 366 CB ALA A 24 5.285 1.751 -19.076 1.00 0.00 C ATOM 0 H ALA A 24 2.892 2.261 -18.872 1.00 0.00 H new ATOM 0 HA ALA A 24 4.680 0.522 -17.438 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.349 1.618 -18.881 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.959 1.026 -19.821 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.108 2.760 -19.450 1.00 0.00 H new ATOM 372 N THR A 25 4.518 3.742 -16.645 1.00 0.00 N ATOM 373 CA THR A 25 4.708 4.687 -15.535 1.00 0.00 C ATOM 374 C THR A 25 3.913 4.280 -14.287 1.00 0.00 C ATOM 375 O THR A 25 4.478 4.191 -13.199 1.00 0.00 O ATOM 376 CB THR A 25 4.307 6.097 -15.986 1.00 0.00 C ATOM 377 OG1 THR A 25 4.981 6.449 -17.176 1.00 0.00 O ATOM 378 CG2 THR A 25 4.617 7.174 -14.945 1.00 0.00 C ATOM 0 H THR A 25 3.997 4.144 -17.424 1.00 0.00 H new ATOM 0 HA THR A 25 5.763 4.674 -15.261 1.00 0.00 H new ATOM 0 HB THR A 25 3.228 6.058 -16.137 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.414 6.239 -17.947 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.309 8.148 -15.326 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.075 6.957 -14.024 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.688 7.186 -14.742 1.00 0.00 H new ATOM 386 N ALA A 26 2.625 3.945 -14.417 1.00 0.00 N ATOM 387 CA ALA A 26 1.800 3.490 -13.288 1.00 0.00 C ATOM 388 C ALA A 26 2.317 2.204 -12.614 1.00 0.00 C ATOM 389 O ALA A 26 2.290 2.100 -11.386 1.00 0.00 O ATOM 390 CB ALA A 26 0.371 3.258 -13.767 1.00 0.00 C ATOM 0 H ALA A 26 2.124 3.981 -15.305 1.00 0.00 H new ATOM 0 HA ALA A 26 1.847 4.279 -12.537 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.242 2.921 -12.932 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.036 4.189 -14.163 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.368 2.499 -14.549 1.00 0.00 H new ATOM 396 N GLU A 27 2.879 1.287 -13.414 1.00 0.00 N ATOM 397 CA GLU A 27 3.585 0.119 -12.849 1.00 0.00 C ATOM 398 C GLU A 27 4.948 0.475 -12.296 1.00 0.00 C ATOM 399 O GLU A 27 5.368 -0.158 -11.335 1.00 0.00 O ATOM 400 CB GLU A 27 3.681 -1.115 -13.756 1.00 0.00 C ATOM 401 CG GLU A 27 4.828 -1.156 -14.766 1.00 0.00 C ATOM 402 CD GLU A 27 4.888 -2.527 -15.423 1.00 0.00 C ATOM 403 OE1 GLU A 27 5.352 -3.473 -14.749 1.00 0.00 O ATOM 404 OE2 GLU A 27 4.498 -2.651 -16.606 1.00 0.00 O ATOM 0 H GLU A 27 2.862 1.325 -14.433 1.00 0.00 H new ATOM 0 HA GLU A 27 2.931 -0.180 -12.030 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.761 -1.996 -13.119 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.744 -1.203 -14.306 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.685 -0.386 -15.524 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.772 -0.940 -14.266 1.00 0.00 H new ATOM 411 N LYS A 28 5.631 1.497 -12.817 1.00 0.00 N ATOM 412 CA LYS A 28 6.856 1.990 -12.163 1.00 0.00 C ATOM 413 C LYS A 28 6.554 2.599 -10.779 1.00 0.00 C ATOM 414 O LYS A 28 7.268 2.300 -9.817 1.00 0.00 O ATOM 415 CB LYS A 28 7.581 2.947 -13.131 1.00 0.00 C ATOM 416 CG LYS A 28 8.907 3.543 -12.628 1.00 0.00 C ATOM 417 CD LYS A 28 8.733 4.915 -11.952 1.00 0.00 C ATOM 418 CE LYS A 28 10.107 5.515 -11.628 1.00 0.00 C ATOM 419 NZ LYS A 28 9.998 6.873 -11.055 1.00 0.00 N ATOM 0 H LYS A 28 5.369 1.993 -13.669 1.00 0.00 H new ATOM 0 HA LYS A 28 7.533 1.162 -11.952 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.776 2.412 -14.060 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.906 3.768 -13.372 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.364 2.851 -11.921 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.595 3.643 -13.467 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.179 5.586 -12.608 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.148 4.808 -11.038 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.629 4.866 -10.925 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.709 5.552 -12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.949 7.241 -10.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.523 7.500 -11.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.445 6.835 -10.175 1.00 0.00 H new ATOM 433 N VAL A 29 5.471 3.372 -10.617 1.00 0.00 N ATOM 434 CA VAL A 29 5.025 3.841 -9.286 1.00 0.00 C ATOM 435 C VAL A 29 4.675 2.658 -8.378 1.00 0.00 C ATOM 436 O VAL A 29 5.217 2.541 -7.280 1.00 0.00 O ATOM 437 CB VAL A 29 3.821 4.807 -9.389 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.330 5.274 -8.012 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.180 6.070 -10.185 1.00 0.00 C ATOM 0 H VAL A 29 4.884 3.689 -11.388 1.00 0.00 H new ATOM 0 HA VAL A 29 5.858 4.390 -8.846 1.00 0.00 H new ATOM 0 HB VAL A 29 3.039 4.239 -9.892 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.484 5.950 -8.137 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.020 4.410 -7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.137 5.794 -7.495 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.311 6.726 -10.238 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.999 6.591 -9.690 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.485 5.790 -11.193 1.00 0.00 H new ATOM 449 N PHE A 30 3.823 1.745 -8.843 1.00 0.00 N ATOM 450 CA PHE A 30 3.443 0.591 -8.027 1.00 0.00 C ATOM 451 C PHE A 30 4.620 -0.345 -7.666 1.00 0.00 C ATOM 452 O PHE A 30 4.650 -0.883 -6.555 1.00 0.00 O ATOM 453 CB PHE A 30 2.308 -0.190 -8.689 1.00 0.00 C ATOM 454 CG PHE A 30 0.992 0.557 -8.858 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.462 1.340 -7.809 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.266 0.431 -10.059 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.782 1.980 -7.959 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.983 1.062 -10.204 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.512 1.824 -9.148 1.00 0.00 C ATOM 0 H PHE A 30 3.388 1.779 -9.765 1.00 0.00 H new ATOM 0 HA PHE A 30 3.095 1.001 -7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.645 -0.518 -9.672 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.120 -1.088 -8.100 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.014 1.448 -6.887 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.670 -0.153 -10.872 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.175 2.591 -7.160 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.535 0.961 -11.127 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.481 2.290 -9.251 1.00 0.00 H new ATOM 469 N LYS A 31 5.630 -0.479 -8.538 1.00 0.00 N ATOM 470 CA LYS A 31 6.879 -1.174 -8.197 1.00 0.00 C ATOM 471 C LYS A 31 7.640 -0.492 -7.046 1.00 0.00 C ATOM 472 O LYS A 31 8.369 -1.158 -6.312 1.00 0.00 O ATOM 473 CB LYS A 31 7.823 -1.328 -9.409 1.00 0.00 C ATOM 474 CG LYS A 31 7.795 -2.737 -10.026 1.00 0.00 C ATOM 475 CD LYS A 31 6.573 -2.992 -10.915 1.00 0.00 C ATOM 476 CE LYS A 31 6.530 -4.460 -11.345 1.00 0.00 C ATOM 477 NZ LYS A 31 5.386 -4.733 -12.235 1.00 0.00 N ATOM 0 H LYS A 31 5.605 -0.113 -9.490 1.00 0.00 H new ATOM 0 HA LYS A 31 6.568 -2.166 -7.870 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.546 -0.599 -10.171 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.842 -1.094 -9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.700 -2.885 -10.615 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.812 -3.476 -9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.661 -2.737 -10.375 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.613 -2.349 -11.794 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.458 -4.717 -11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.465 -5.096 -10.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.498 -5.672 -12.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.504 -4.708 -11.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.348 -4.011 -12.982 1.00 0.00 H new ATOM 491 N GLN A 32 7.502 0.823 -6.843 1.00 0.00 N ATOM 492 CA GLN A 32 8.171 1.548 -5.753 1.00 0.00 C ATOM 493 C GLN A 32 7.555 1.238 -4.370 1.00 0.00 C ATOM 494 O GLN A 32 8.285 1.030 -3.399 1.00 0.00 O ATOM 495 CB GLN A 32 8.114 3.058 -6.086 1.00 0.00 C ATOM 496 CG GLN A 32 9.489 3.727 -6.198 1.00 0.00 C ATOM 497 CD GLN A 32 10.394 3.110 -7.250 1.00 0.00 C ATOM 498 OE1 GLN A 32 11.552 2.812 -6.987 1.00 0.00 O ATOM 499 NE2 GLN A 32 9.924 2.906 -8.464 1.00 0.00 N ATOM 0 H GLN A 32 6.920 1.419 -7.432 1.00 0.00 H new ATOM 0 HA GLN A 32 9.208 1.220 -5.681 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.579 3.192 -7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.536 3.567 -5.315 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.350 4.783 -6.428 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.987 3.675 -5.230 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.960 3.153 -8.686 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.525 2.501 -9.182 1.00 0.00 H new ATOM 508 N TYR A 33 6.223 1.156 -4.285 1.00 0.00 N ATOM 509 CA TYR A 33 5.480 0.796 -3.058 1.00 0.00 C ATOM 510 C TYR A 33 5.402 -0.728 -2.777 1.00 0.00 C ATOM 511 O TYR A 33 5.300 -1.146 -1.622 1.00 0.00 O ATOM 512 CB TYR A 33 4.067 1.406 -3.139 1.00 0.00 C ATOM 513 CG TYR A 33 4.023 2.919 -2.968 1.00 0.00 C ATOM 514 CD1 TYR A 33 4.377 3.780 -4.027 1.00 0.00 C ATOM 515 CD2 TYR A 33 3.641 3.476 -1.731 1.00 0.00 C ATOM 516 CE1 TYR A 33 4.372 5.175 -3.844 1.00 0.00 C ATOM 517 CE2 TYR A 33 3.653 4.870 -1.543 1.00 0.00 C ATOM 518 CZ TYR A 33 4.015 5.718 -2.600 1.00 0.00 C ATOM 519 OH TYR A 33 4.025 7.064 -2.413 1.00 0.00 O ATOM 0 H TYR A 33 5.612 1.341 -5.081 1.00 0.00 H new ATOM 0 HA TYR A 33 6.038 1.208 -2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.628 1.149 -4.103 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.442 0.948 -2.372 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.654 3.366 -4.985 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.337 2.828 -0.922 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.643 5.828 -4.661 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.383 5.288 -0.584 1.00 0.00 H new ATOM 0 HH TYR A 33 3.750 7.269 -1.495 1.00 0.00 H new ATOM 529 N PHE A 34 5.492 -1.537 -3.834 1.00 0.00 N ATOM 530 CA PHE A 34 5.336 -3.006 -3.791 1.00 0.00 C ATOM 531 C PHE A 34 6.468 -3.740 -4.530 1.00 0.00 C ATOM 532 O PHE A 34 6.657 -3.565 -5.733 1.00 0.00 O ATOM 533 CB PHE A 34 3.922 -3.399 -4.249 1.00 0.00 C ATOM 534 CG PHE A 34 2.842 -2.650 -3.483 1.00 0.00 C ATOM 535 CD1 PHE A 34 2.647 -2.903 -2.111 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.124 -1.609 -4.105 1.00 0.00 C ATOM 537 CE1 PHE A 34 1.759 -2.109 -1.363 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.221 -0.828 -3.361 1.00 0.00 C ATOM 539 CZ PHE A 34 1.042 -1.075 -1.988 1.00 0.00 C ATOM 0 H PHE A 34 5.680 -1.186 -4.773 1.00 0.00 H new ATOM 0 HA PHE A 34 5.436 -3.340 -2.758 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.817 -3.195 -5.315 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.783 -4.472 -4.114 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.181 -3.710 -1.632 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.268 -1.410 -5.157 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.628 -2.294 -0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.665 -0.038 -3.844 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.354 -0.471 -1.415 1.00 0.00 H new ATOM 549 N ASN A 35 7.250 -4.540 -3.792 1.00 0.00 N ATOM 550 CA ASN A 35 8.508 -5.172 -4.223 1.00 0.00 C ATOM 551 C ASN A 35 9.040 -6.161 -3.139 1.00 0.00 C ATOM 552 O ASN A 35 8.268 -6.726 -2.359 1.00 0.00 O ATOM 553 CB ASN A 35 9.522 -4.061 -4.601 1.00 0.00 C ATOM 554 CG ASN A 35 9.751 -3.042 -3.495 1.00 0.00 C ATOM 555 OD1 ASN A 35 10.223 -3.361 -2.415 1.00 0.00 O ATOM 556 ND2 ASN A 35 9.419 -1.793 -3.732 1.00 0.00 N ATOM 0 H ASN A 35 7.011 -4.777 -2.829 1.00 0.00 H new ATOM 0 HA ASN A 35 8.341 -5.783 -5.110 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.474 -4.523 -4.860 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.166 -3.544 -5.492 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.555 -1.084 -3.012 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.025 -1.533 -4.636 1.00 0.00 H new ATOM 563 N ASP A 36 10.363 -6.363 -3.081 1.00 0.00 N ATOM 564 CA ASP A 36 11.140 -7.125 -2.077 1.00 0.00 C ATOM 565 C ASP A 36 11.085 -6.597 -0.626 1.00 0.00 C ATOM 566 O ASP A 36 11.604 -7.244 0.286 1.00 0.00 O ATOM 567 CB ASP A 36 12.602 -7.080 -2.541 1.00 0.00 C ATOM 568 CG ASP A 36 13.568 -8.026 -1.791 1.00 0.00 C ATOM 569 OD1 ASP A 36 13.376 -9.266 -1.853 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.549 -7.531 -1.187 1.00 0.00 O ATOM 0 H ASP A 36 10.976 -5.966 -3.793 1.00 0.00 H new ATOM 0 HA ASP A 36 10.699 -8.121 -2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.635 -7.323 -3.603 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.967 -6.058 -2.436 1.00 0.00 H new ATOM 575 N ASN A 37 10.464 -5.436 -0.409 1.00 0.00 N ATOM 576 CA ASN A 37 10.191 -4.891 0.928 1.00 0.00 C ATOM 577 C ASN A 37 9.530 -5.941 1.853 1.00 0.00 C ATOM 578 O ASN A 37 9.895 -6.082 3.022 1.00 0.00 O ATOM 579 CB ASN A 37 9.393 -3.572 0.831 1.00 0.00 C ATOM 580 CG ASN A 37 8.064 -3.589 0.078 1.00 0.00 C ATOM 581 OD1 ASN A 37 7.529 -4.616 -0.317 1.00 0.00 O ATOM 582 ND2 ASN A 37 7.491 -2.421 -0.129 1.00 0.00 N ATOM 0 H ASN A 37 10.131 -4.838 -1.165 1.00 0.00 H new ATOM 0 HA ASN A 37 11.143 -4.646 1.399 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.197 -3.226 1.846 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.034 -2.828 0.359 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.598 -2.371 -0.620 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.940 -1.567 0.202 1.00 0.00 H new ATOM 589 N GLY A 38 8.603 -6.705 1.276 1.00 0.00 N ATOM 590 CA GLY A 38 7.882 -7.768 1.988 1.00 0.00 C ATOM 591 C GLY A 38 7.098 -8.761 1.132 1.00 0.00 C ATOM 592 O GLY A 38 7.112 -9.956 1.435 1.00 0.00 O ATOM 0 H GLY A 38 8.328 -6.606 0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.603 -8.328 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.188 -7.299 2.686 1.00 0.00 H new ATOM 596 N VAL A 39 6.428 -8.304 0.070 1.00 0.00 N ATOM 597 CA VAL A 39 5.525 -9.186 -0.703 1.00 0.00 C ATOM 598 C VAL A 39 6.256 -10.080 -1.719 1.00 0.00 C ATOM 599 O VAL A 39 6.006 -11.287 -1.749 1.00 0.00 O ATOM 600 CB VAL A 39 4.356 -8.408 -1.342 1.00 0.00 C ATOM 601 CG1 VAL A 39 4.763 -7.364 -2.389 1.00 0.00 C ATOM 602 CG2 VAL A 39 3.324 -9.363 -1.952 1.00 0.00 C ATOM 0 H VAL A 39 6.486 -7.346 -0.276 1.00 0.00 H new ATOM 0 HA VAL A 39 5.093 -9.871 0.026 1.00 0.00 H new ATOM 0 HB VAL A 39 3.920 -7.852 -0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.871 -6.872 -2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.415 -6.622 -1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.292 -7.855 -3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.512 -8.786 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.800 -9.970 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.925 -10.013 -1.173 1.00 0.00 H new ATOM 612 N ASP A 40 7.177 -9.522 -2.522 1.00 0.00 N ATOM 613 CA ASP A 40 7.876 -10.183 -3.654 1.00 0.00 C ATOM 614 C ASP A 40 6.995 -11.161 -4.481 1.00 0.00 C ATOM 615 O ASP A 40 7.427 -12.245 -4.881 1.00 0.00 O ATOM 616 CB ASP A 40 9.179 -10.829 -3.128 1.00 0.00 C ATOM 617 CG ASP A 40 10.162 -11.280 -4.236 1.00 0.00 C ATOM 618 OD1 ASP A 40 10.374 -10.524 -5.217 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.756 -12.379 -4.103 1.00 0.00 O ATOM 0 H ASP A 40 7.473 -8.554 -2.400 1.00 0.00 H new ATOM 0 HA ASP A 40 8.125 -9.413 -4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.686 -10.117 -2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.920 -11.693 -2.515 1.00 0.00 H new ATOM 624 N GLY A 41 5.727 -10.791 -4.695 1.00 0.00 N ATOM 625 CA GLY A 41 4.678 -11.656 -5.263 1.00 0.00 C ATOM 626 C GLY A 41 4.566 -11.657 -6.795 1.00 0.00 C ATOM 627 O GLY A 41 5.254 -10.911 -7.497 1.00 0.00 O ATOM 0 H GLY A 41 5.389 -9.855 -4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.858 -12.678 -4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.718 -11.350 -4.848 1.00 0.00 H new ATOM 631 N GLU A 42 3.670 -12.504 -7.318 1.00 0.00 N ATOM 632 CA GLU A 42 3.351 -12.631 -8.758 1.00 0.00 C ATOM 633 C GLU A 42 2.444 -11.498 -9.247 1.00 0.00 C ATOM 634 O GLU A 42 1.330 -11.328 -8.748 1.00 0.00 O ATOM 635 CB GLU A 42 2.672 -13.984 -9.036 1.00 0.00 C ATOM 636 CG GLU A 42 2.385 -14.265 -10.514 1.00 0.00 C ATOM 637 CD GLU A 42 3.674 -14.474 -11.299 1.00 0.00 C ATOM 638 OE1 GLU A 42 4.228 -13.481 -11.821 1.00 0.00 O ATOM 639 OE2 GLU A 42 4.119 -15.638 -11.406 1.00 0.00 O ATOM 0 H GLU A 42 3.126 -13.143 -6.738 1.00 0.00 H new ATOM 0 HA GLU A 42 4.293 -12.569 -9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.306 -14.780 -8.645 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.733 -14.024 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.755 -15.150 -10.602 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.827 -13.433 -10.943 1.00 0.00 H new ATOM 646 N TRP A 43 2.916 -10.731 -10.226 1.00 0.00 N ATOM 647 CA TRP A 43 2.167 -9.631 -10.848 1.00 0.00 C ATOM 648 C TRP A 43 1.197 -10.095 -11.958 1.00 0.00 C ATOM 649 O TRP A 43 1.486 -11.014 -12.729 1.00 0.00 O ATOM 650 CB TRP A 43 3.149 -8.588 -11.397 1.00 0.00 C ATOM 651 CG TRP A 43 3.832 -7.765 -10.345 1.00 0.00 C ATOM 652 CD1 TRP A 43 4.810 -8.198 -9.517 1.00 0.00 C ATOM 653 CD2 TRP A 43 3.590 -6.370 -9.976 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.179 -7.186 -8.658 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.465 -6.035 -8.897 1.00 0.00 C ATOM 656 CE3 TRP A 43 2.732 -5.349 -10.449 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.487 -4.760 -8.320 1.00 0.00 C ATOM 658 CZ3 TRP A 43 2.758 -4.059 -9.882 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.628 -3.768 -8.816 1.00 0.00 C ATOM 0 H TRP A 43 3.848 -10.855 -10.621 1.00 0.00 H new ATOM 0 HA TRP A 43 1.544 -9.191 -10.070 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.907 -9.098 -11.991 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.612 -7.921 -12.071 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.238 -9.190 -9.528 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.893 -7.279 -7.935 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.047 -5.561 -11.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.158 -4.542 -7.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.106 -3.289 -10.268 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.635 -2.780 -8.379 1.00 0.00 H new ATOM 670 N THR A 44 0.050 -9.422 -12.055 1.00 0.00 N ATOM 671 CA THR A 44 -0.956 -9.550 -13.135 1.00 0.00 C ATOM 672 C THR A 44 -1.489 -8.156 -13.526 1.00 0.00 C ATOM 673 O THR A 44 -1.507 -7.261 -12.677 1.00 0.00 O ATOM 674 CB THR A 44 -2.142 -10.426 -12.666 1.00 0.00 C ATOM 675 OG1 THR A 44 -1.704 -11.616 -12.040 1.00 0.00 O ATOM 676 CG2 THR A 44 -3.088 -10.853 -13.790 1.00 0.00 C ATOM 0 H THR A 44 -0.226 -8.736 -11.352 1.00 0.00 H new ATOM 0 HA THR A 44 -0.478 -10.018 -13.995 1.00 0.00 H new ATOM 0 HB THR A 44 -2.677 -9.779 -11.971 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.481 -12.142 -11.756 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.891 -11.464 -13.377 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.512 -9.968 -14.265 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.536 -11.432 -14.530 1.00 0.00 H new ATOM 684 N TYR A 45 -1.959 -7.950 -14.763 1.00 0.00 N ATOM 685 CA TYR A 45 -2.590 -6.696 -15.225 1.00 0.00 C ATOM 686 C TYR A 45 -3.787 -6.933 -16.170 1.00 0.00 C ATOM 687 O TYR A 45 -3.742 -7.799 -17.050 1.00 0.00 O ATOM 688 CB TYR A 45 -1.540 -5.832 -15.944 1.00 0.00 C ATOM 689 CG TYR A 45 -2.085 -4.595 -16.651 1.00 0.00 C ATOM 690 CD1 TYR A 45 -2.519 -3.480 -15.909 1.00 0.00 C ATOM 691 CD2 TYR A 45 -2.169 -4.560 -18.058 1.00 0.00 C ATOM 692 CE1 TYR A 45 -3.006 -2.334 -16.565 1.00 0.00 C ATOM 693 CE2 TYR A 45 -2.661 -3.414 -18.712 1.00 0.00 C ATOM 694 CZ TYR A 45 -3.076 -2.299 -17.966 1.00 0.00 C ATOM 695 OH TYR A 45 -3.545 -1.184 -18.593 1.00 0.00 O ATOM 0 H TYR A 45 -1.913 -8.663 -15.491 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.975 -6.188 -14.341 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.794 -5.514 -15.215 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.025 -6.452 -16.678 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.478 -3.504 -14.830 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.855 -5.416 -18.637 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.327 -1.479 -15.988 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.719 -3.393 -19.790 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.847 -1.419 -19.495 1.00 0.00 H new ATOM 705 N ASP A 46 -4.837 -6.126 -15.997 1.00 0.00 N ATOM 706 CA ASP A 46 -6.055 -6.043 -16.818 1.00 0.00 C ATOM 707 C ASP A 46 -6.208 -4.662 -17.460 1.00 0.00 C ATOM 708 O ASP A 46 -6.335 -3.661 -16.747 1.00 0.00 O ATOM 709 CB ASP A 46 -7.272 -6.296 -15.917 1.00 0.00 C ATOM 710 CG ASP A 46 -8.564 -6.468 -16.722 1.00 0.00 C ATOM 711 OD1 ASP A 46 -9.171 -5.425 -17.043 1.00 0.00 O ATOM 712 OD2 ASP A 46 -8.961 -7.621 -17.017 1.00 0.00 O ATOM 0 H ASP A 46 -4.863 -5.463 -15.222 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.984 -6.787 -17.611 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.098 -7.190 -15.317 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.387 -5.464 -15.223 1.00 0.00 H new ATOM 717 N ASP A 47 -6.223 -4.568 -18.792 1.00 0.00 N ATOM 718 CA ASP A 47 -6.282 -3.288 -19.516 1.00 0.00 C ATOM 719 C ASP A 47 -7.702 -2.735 -19.642 1.00 0.00 C ATOM 720 O ASP A 47 -7.911 -1.528 -19.600 1.00 0.00 O ATOM 721 CB ASP A 47 -5.665 -3.508 -20.912 1.00 0.00 C ATOM 722 CG ASP A 47 -5.339 -2.190 -21.639 1.00 0.00 C ATOM 723 OD1 ASP A 47 -4.441 -1.457 -21.159 1.00 0.00 O ATOM 724 OD2 ASP A 47 -5.972 -1.902 -22.684 1.00 0.00 O ATOM 0 H ASP A 47 -6.194 -5.382 -19.406 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.723 -2.544 -18.949 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.753 -4.097 -20.812 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.356 -4.091 -21.521 1.00 0.00 H new ATOM 729 N ALA A 48 -8.693 -3.618 -19.729 1.00 0.00 N ATOM 730 CA ALA A 48 -10.119 -3.251 -19.789 1.00 0.00 C ATOM 731 C ALA A 48 -10.571 -2.414 -18.578 1.00 0.00 C ATOM 732 O ALA A 48 -11.554 -1.669 -18.635 1.00 0.00 O ATOM 733 CB ALA A 48 -10.973 -4.520 -19.845 1.00 0.00 C ATOM 0 H ALA A 48 -8.534 -4.625 -19.761 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.251 -2.645 -20.685 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.027 -4.247 -19.889 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.710 -5.097 -20.732 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.791 -5.121 -18.954 1.00 0.00 H new ATOM 739 N THR A 49 -9.831 -2.567 -17.482 1.00 0.00 N ATOM 740 CA THR A 49 -10.111 -1.989 -16.169 1.00 0.00 C ATOM 741 C THR A 49 -8.914 -1.231 -15.563 1.00 0.00 C ATOM 742 O THR A 49 -9.017 -0.716 -14.447 1.00 0.00 O ATOM 743 CB THR A 49 -10.653 -3.075 -15.226 1.00 0.00 C ATOM 744 OG1 THR A 49 -9.654 -3.999 -14.875 1.00 0.00 O ATOM 745 CG2 THR A 49 -11.814 -3.869 -15.831 1.00 0.00 C ATOM 0 H THR A 49 -8.977 -3.125 -17.486 1.00 0.00 H new ATOM 0 HA THR A 49 -10.879 -1.228 -16.304 1.00 0.00 H new ATOM 0 HB THR A 49 -11.006 -2.532 -14.349 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.193 -4.306 -15.684 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.152 -4.620 -15.117 1.00 0.00 H new ATOM 0 HG22 THR A 49 -12.636 -3.192 -16.062 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.481 -4.361 -16.745 1.00 0.00 H new ATOM 753 N LYS A 50 -7.786 -1.116 -16.286 1.00 0.00 N ATOM 754 CA LYS A 50 -6.597 -0.339 -15.894 1.00 0.00 C ATOM 755 C LYS A 50 -6.080 -0.730 -14.498 1.00 0.00 C ATOM 756 O LYS A 50 -5.694 0.114 -13.683 1.00 0.00 O ATOM 757 CB LYS A 50 -6.862 1.172 -16.062 1.00 0.00 C ATOM 758 CG LYS A 50 -7.366 1.583 -17.456 1.00 0.00 C ATOM 759 CD LYS A 50 -6.410 1.132 -18.570 1.00 0.00 C ATOM 760 CE LYS A 50 -6.768 1.715 -19.944 1.00 0.00 C ATOM 761 NZ LYS A 50 -7.991 1.116 -20.516 1.00 0.00 N ATOM 0 H LYS A 50 -7.673 -1.577 -17.189 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.780 -0.590 -16.570 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.596 1.484 -15.318 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.941 1.715 -15.848 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.352 1.150 -17.627 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.482 2.666 -17.495 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.394 1.428 -18.310 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.420 0.044 -18.630 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.905 2.793 -19.853 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.936 1.556 -20.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.914 1.092 -21.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.105 0.147 -20.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.817 1.686 -20.244 1.00 0.00 H new ATOM 775 N THR A 51 -6.122 -2.033 -14.219 1.00 0.00 N ATOM 776 CA THR A 51 -5.874 -2.560 -12.862 1.00 0.00 C ATOM 777 C THR A 51 -4.766 -3.612 -12.833 1.00 0.00 C ATOM 778 O THR A 51 -4.699 -4.502 -13.680 1.00 0.00 O ATOM 779 CB THR A 51 -7.174 -3.090 -12.222 1.00 0.00 C ATOM 780 OG1 THR A 51 -8.140 -2.062 -12.116 1.00 0.00 O ATOM 781 CG2 THR A 51 -6.976 -3.613 -10.794 1.00 0.00 C ATOM 0 H THR A 51 -6.326 -2.752 -14.913 1.00 0.00 H new ATOM 0 HA THR A 51 -5.520 -1.723 -12.260 1.00 0.00 H new ATOM 0 HB THR A 51 -7.495 -3.899 -12.878 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.332 -1.700 -13.006 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.928 -3.971 -10.402 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.257 -4.432 -10.803 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.602 -2.809 -10.160 1.00 0.00 H new ATOM 789 N PHE A 52 -3.907 -3.520 -11.823 1.00 0.00 N ATOM 790 CA PHE A 52 -2.788 -4.401 -11.506 1.00 0.00 C ATOM 791 C PHE A 52 -3.125 -5.214 -10.246 1.00 0.00 C ATOM 792 O PHE A 52 -3.816 -4.729 -9.346 1.00 0.00 O ATOM 793 CB PHE A 52 -1.512 -3.582 -11.263 1.00 0.00 C ATOM 794 CG PHE A 52 -0.941 -2.912 -12.494 1.00 0.00 C ATOM 795 CD1 PHE A 52 -0.007 -3.598 -13.294 1.00 0.00 C ATOM 796 CD2 PHE A 52 -1.334 -1.604 -12.842 1.00 0.00 C ATOM 797 CE1 PHE A 52 0.520 -2.984 -14.442 1.00 0.00 C ATOM 798 CE2 PHE A 52 -0.799 -0.987 -13.985 1.00 0.00 C ATOM 799 CZ PHE A 52 0.120 -1.682 -14.789 1.00 0.00 C ATOM 0 H PHE A 52 -3.983 -2.761 -11.146 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.616 -5.073 -12.347 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.725 -2.817 -10.517 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.752 -4.238 -10.839 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.304 -4.597 -13.025 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.048 -1.075 -12.228 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.233 -3.512 -15.058 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.093 0.019 -14.245 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.520 -1.214 -15.676 1.00 0.00 H new ATOM 809 N THR A 53 -2.660 -6.455 -10.179 1.00 0.00 N ATOM 810 CA THR A 53 -2.776 -7.307 -8.984 1.00 0.00 C ATOM 811 C THR A 53 -1.405 -7.868 -8.592 1.00 0.00 C ATOM 812 O THR A 53 -0.571 -8.147 -9.457 1.00 0.00 O ATOM 813 CB THR A 53 -3.783 -8.451 -9.219 1.00 0.00 C ATOM 814 OG1 THR A 53 -5.027 -7.940 -9.651 1.00 0.00 O ATOM 815 CG2 THR A 53 -4.060 -9.295 -7.973 1.00 0.00 C ATOM 0 H THR A 53 -2.185 -6.911 -10.958 1.00 0.00 H new ATOM 0 HA THR A 53 -3.147 -6.694 -8.163 1.00 0.00 H new ATOM 0 HB THR A 53 -3.316 -9.082 -9.975 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.652 -8.681 -9.796 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.777 -10.079 -8.217 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.131 -9.748 -7.626 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.469 -8.660 -7.187 1.00 0.00 H new ATOM 823 N VAL A 54 -1.191 -8.045 -7.289 1.00 0.00 N ATOM 824 CA VAL A 54 0.011 -8.631 -6.665 1.00 0.00 C ATOM 825 C VAL A 54 -0.435 -9.713 -5.679 1.00 0.00 C ATOM 826 O VAL A 54 -1.314 -9.473 -4.851 1.00 0.00 O ATOM 827 CB VAL A 54 0.885 -7.576 -5.948 1.00 0.00 C ATOM 828 CG1 VAL A 54 2.155 -8.211 -5.357 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.335 -6.473 -6.912 1.00 0.00 C ATOM 0 H VAL A 54 -1.886 -7.770 -6.595 1.00 0.00 H new ATOM 0 HA VAL A 54 0.632 -9.059 -7.452 1.00 0.00 H new ATOM 0 HB VAL A 54 0.265 -7.156 -5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.748 -7.443 -4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.876 -8.978 -4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.742 -8.662 -6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.947 -5.748 -6.375 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.918 -6.913 -7.721 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.460 -5.972 -7.326 1.00 0.00 H new ATOM 839 N THR A 55 0.155 -10.900 -5.805 1.00 0.00 N ATOM 840 CA THR A 55 -0.159 -12.057 -4.942 1.00 0.00 C ATOM 841 C THR A 55 1.087 -12.800 -4.434 1.00 0.00 C ATOM 842 O THR A 55 1.806 -13.424 -5.221 1.00 0.00 O ATOM 843 CB THR A 55 -1.161 -13.000 -5.639 1.00 0.00 C ATOM 844 OG1 THR A 55 -2.350 -12.307 -5.966 1.00 0.00 O ATOM 845 CG2 THR A 55 -1.586 -14.191 -4.776 1.00 0.00 C ATOM 0 H THR A 55 0.868 -11.096 -6.508 1.00 0.00 H new ATOM 0 HA THR A 55 -0.634 -11.661 -4.045 1.00 0.00 H new ATOM 0 HB THR A 55 -0.634 -13.364 -6.521 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.974 -12.919 -6.409 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.291 -14.810 -5.331 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.709 -14.784 -4.517 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.061 -13.829 -3.865 1.00 0.00 H new ATOM 853 N GLU A 56 1.327 -12.705 -3.115 1.00 0.00 N ATOM 854 CA GLU A 56 2.426 -13.365 -2.371 1.00 0.00 C ATOM 855 C GLU A 56 2.588 -14.856 -2.708 1.00 0.00 C ATOM 856 O GLU A 56 1.596 -15.611 -2.604 1.00 0.00 O ATOM 857 CB GLU A 56 2.230 -13.179 -0.862 1.00 0.00 C ATOM 858 CG GLU A 56 3.522 -13.358 -0.068 1.00 0.00 C ATOM 859 CD GLU A 56 3.236 -13.486 1.421 1.00 0.00 C ATOM 860 OE1 GLU A 56 2.540 -12.608 1.980 1.00 0.00 O ATOM 861 OE2 GLU A 56 3.713 -14.471 2.028 1.00 0.00 O ATOM 862 OXT GLU A 56 3.715 -15.257 -3.067 1.00 0.00 O ATOM 0 H GLU A 56 0.735 -12.141 -2.505 1.00 0.00 H new ATOM 0 HA GLU A 56 3.348 -12.878 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.828 -12.183 -0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.489 -13.895 -0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.048 -14.246 -0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.181 -12.508 -0.243 1.00 0.00 H new ATOM 870 N MET B 1 -4.188 -9.333 17.010 1.00 0.00 N ATOM 871 CA MET B 1 -5.259 -8.334 16.754 1.00 0.00 C ATOM 872 C MET B 1 -5.101 -7.729 15.363 1.00 0.00 C ATOM 873 O MET B 1 -3.978 -7.551 14.891 1.00 0.00 O ATOM 874 CB MET B 1 -5.274 -7.257 17.860 1.00 0.00 C ATOM 875 CG MET B 1 -6.374 -6.197 17.696 1.00 0.00 C ATOM 876 SD MET B 1 -8.060 -6.860 17.554 1.00 0.00 S ATOM 877 CE MET B 1 -8.972 -5.325 17.246 1.00 0.00 C ATOM 0 H1 MET B 1 -4.237 -9.649 18.000 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.317 -10.150 16.379 1.00 0.00 H new ATOM 0 H3 MET B 1 -3.260 -8.900 16.830 1.00 0.00 H new ATOM 0 HA MET B 1 -6.226 -8.836 16.782 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.399 -7.747 18.826 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.305 -6.758 17.878 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.336 -5.520 18.549 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.157 -5.603 16.808 1.00 0.00 H new ATOM 0 HE1 MET B 1 -10.033 -5.548 17.133 1.00 0.00 H new ATOM 0 HE2 MET B 1 -8.832 -4.644 18.085 1.00 0.00 H new ATOM 0 HE3 MET B 1 -8.601 -4.858 16.334 1.00 0.00 H new ATOM 889 N GLN B 2 -6.215 -7.429 14.689 1.00 0.00 N ATOM 890 CA GLN B 2 -6.228 -6.726 13.394 1.00 0.00 C ATOM 891 C GLN B 2 -5.887 -5.228 13.559 1.00 0.00 C ATOM 892 O GLN B 2 -6.479 -4.541 14.394 1.00 0.00 O ATOM 893 CB GLN B 2 -7.615 -6.867 12.736 1.00 0.00 C ATOM 894 CG GLN B 2 -7.597 -6.576 11.226 1.00 0.00 C ATOM 895 CD GLN B 2 -7.407 -7.836 10.409 1.00 0.00 C ATOM 896 OE1 GLN B 2 -8.360 -8.510 10.041 1.00 0.00 O ATOM 897 NE2 GLN B 2 -6.181 -8.191 10.099 1.00 0.00 N ATOM 0 H GLN B 2 -7.147 -7.669 15.028 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.467 -7.181 12.760 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -7.988 -7.878 12.901 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.313 -6.186 13.223 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.532 -6.095 10.938 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -6.794 -5.874 11.001 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -5.392 -7.624 10.409 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -6.018 -9.034 9.548 1.00 0.00 H new ATOM 906 N TYR B 3 -4.964 -4.722 12.740 1.00 0.00 N ATOM 907 CA TYR B 3 -4.622 -3.295 12.605 1.00 0.00 C ATOM 908 C TYR B 3 -4.743 -2.815 11.147 1.00 0.00 C ATOM 909 O TYR B 3 -4.669 -3.624 10.219 1.00 0.00 O ATOM 910 CB TYR B 3 -3.208 -3.050 13.146 1.00 0.00 C ATOM 911 CG TYR B 3 -3.036 -3.358 14.623 1.00 0.00 C ATOM 912 CD1 TYR B 3 -2.695 -4.660 15.038 1.00 0.00 C ATOM 913 CD2 TYR B 3 -3.215 -2.345 15.585 1.00 0.00 C ATOM 914 CE1 TYR B 3 -2.573 -4.960 16.407 1.00 0.00 C ATOM 915 CE2 TYR B 3 -3.098 -2.650 16.953 1.00 0.00 C ATOM 916 CZ TYR B 3 -2.799 -3.958 17.363 1.00 0.00 C ATOM 917 OH TYR B 3 -2.737 -4.247 18.691 1.00 0.00 O ATOM 0 H TYR B 3 -4.408 -5.316 12.124 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.335 -2.715 13.191 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.505 -3.658 12.577 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -2.942 -2.007 12.972 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.526 -5.432 14.302 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -3.442 -1.336 15.273 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.306 -5.958 16.721 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -3.239 -1.874 17.691 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.918 -3.436 19.211 1.00 0.00 H new ATOM 927 N LYS B 4 -4.880 -1.504 10.928 1.00 0.00 N ATOM 928 CA LYS B 4 -5.146 -0.900 9.610 1.00 0.00 C ATOM 929 C LYS B 4 -4.261 0.337 9.327 1.00 0.00 C ATOM 930 O LYS B 4 -3.867 1.048 10.251 1.00 0.00 O ATOM 931 CB LYS B 4 -6.648 -0.555 9.560 1.00 0.00 C ATOM 932 CG LYS B 4 -7.123 -0.077 8.180 1.00 0.00 C ATOM 933 CD LYS B 4 -8.604 0.311 8.167 1.00 0.00 C ATOM 934 CE LYS B 4 -8.922 0.841 6.766 1.00 0.00 C ATOM 935 NZ LYS B 4 -10.304 1.341 6.641 1.00 0.00 N ATOM 0 H LYS B 4 -4.808 -0.814 11.676 1.00 0.00 H new ATOM 0 HA LYS B 4 -4.889 -1.610 8.824 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.224 -1.434 9.849 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -6.859 0.220 10.296 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -6.524 0.780 7.871 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -6.952 -0.866 7.448 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.229 -0.550 8.403 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -8.809 1.071 8.921 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.227 1.644 6.521 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.761 0.046 6.037 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.403 1.867 5.750 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -10.965 0.538 6.645 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.519 1.970 7.441 1.00 0.00 H new ATOM 949 N LEU B 5 -3.998 0.624 8.049 1.00 0.00 N ATOM 950 CA LEU B 5 -3.201 1.747 7.535 1.00 0.00 C ATOM 951 C LEU B 5 -3.965 2.469 6.408 1.00 0.00 C ATOM 952 O LEU B 5 -4.475 1.823 5.491 1.00 0.00 O ATOM 953 CB LEU B 5 -1.865 1.159 7.036 1.00 0.00 C ATOM 954 CG LEU B 5 -0.691 2.082 6.658 1.00 0.00 C ATOM 955 CD1 LEU B 5 -0.889 2.877 5.371 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.317 3.039 7.786 1.00 0.00 C ATOM 0 H LEU B 5 -4.359 0.041 7.294 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.012 2.490 8.310 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.504 0.482 7.810 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.090 0.551 6.160 1.00 0.00 H new ATOM 0 HG LEU B 5 0.129 1.386 6.479 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.011 3.497 5.188 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.028 2.190 4.537 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -1.769 3.513 5.468 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.515 3.667 7.469 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.174 3.667 8.029 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.025 2.467 8.667 1.00 0.00 H new ATOM 968 N ILE B 6 -4.020 3.798 6.453 1.00 0.00 N ATOM 969 CA ILE B 6 -4.616 4.671 5.424 1.00 0.00 C ATOM 970 C ILE B 6 -3.514 5.578 4.860 1.00 0.00 C ATOM 971 O ILE B 6 -2.836 6.264 5.628 1.00 0.00 O ATOM 972 CB ILE B 6 -5.761 5.523 6.029 1.00 0.00 C ATOM 973 CG1 ILE B 6 -6.784 4.642 6.783 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.432 6.368 4.926 1.00 0.00 C ATOM 975 CD1 ILE B 6 -7.923 5.419 7.452 1.00 0.00 C ATOM 0 H ILE B 6 -3.637 4.326 7.237 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.041 4.063 4.626 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.335 6.204 6.765 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.213 3.925 6.083 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.257 4.067 7.545 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.235 6.963 5.361 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.693 7.030 4.475 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -6.843 5.708 4.161 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.592 4.722 7.957 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.509 6.116 8.180 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.479 5.972 6.695 1.00 0.00 H new ATOM 987 N LEU B 7 -3.304 5.603 3.544 1.00 0.00 N ATOM 988 CA LEU B 7 -2.213 6.299 2.862 1.00 0.00 C ATOM 989 C LEU B 7 -2.796 7.447 2.011 1.00 0.00 C ATOM 990 O LEU B 7 -3.619 7.210 1.122 1.00 0.00 O ATOM 991 CB LEU B 7 -1.504 5.240 1.995 1.00 0.00 C ATOM 992 CG LEU B 7 -0.330 5.758 1.151 1.00 0.00 C ATOM 993 CD1 LEU B 7 0.820 6.297 2.001 1.00 0.00 C ATOM 994 CD2 LEU B 7 0.195 4.613 0.291 1.00 0.00 C ATOM 0 H LEU B 7 -3.920 5.115 2.893 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.502 6.748 3.556 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.138 4.447 2.647 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -2.239 4.790 1.327 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.703 6.583 0.543 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.620 6.649 1.350 1.00 0.00 H new ATOM 0 HD12 LEU B 7 0.462 7.124 2.615 1.00 0.00 H new ATOM 0 HD13 LEU B 7 1.199 5.504 2.645 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.030 4.966 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.531 3.800 0.934 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.601 4.254 -0.362 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.395 8.682 2.307 1.00 0.00 N ATOM 1007 CA ASN B 8 -2.825 9.891 1.603 1.00 0.00 C ATOM 1008 C ASN B 8 -1.599 10.610 1.001 1.00 0.00 C ATOM 1009 O ASN B 8 -0.680 11.006 1.725 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.624 10.814 2.539 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.661 10.113 3.398 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -5.852 10.103 3.108 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -4.218 9.546 4.498 1.00 0.00 N ATOM 0 H ASN B 8 -1.742 8.876 3.066 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.490 9.611 0.786 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -2.926 11.337 3.193 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.125 11.572 1.937 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -4.870 9.084 5.132 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.222 9.568 4.717 1.00 0.00 H new ATOM 1020 N GLY B 9 -1.592 10.800 -0.314 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.535 11.512 -1.046 1.00 0.00 C ATOM 1022 C GLY B 9 -0.952 12.013 -2.433 1.00 0.00 C ATOM 1023 O GLY B 9 -2.000 11.639 -2.965 1.00 0.00 O ATOM 0 H GLY B 9 -2.337 10.457 -0.921 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.207 12.363 -0.449 1.00 0.00 H new ATOM 0 HA3 GLY B 9 0.324 10.850 -1.155 1.00 0.00 H new ATOM 1027 N LYS B 10 -0.140 12.895 -3.012 1.00 0.00 N ATOM 1028 CA LYS B 10 -0.423 13.580 -4.281 1.00 0.00 C ATOM 1029 C LYS B 10 -0.278 12.672 -5.524 1.00 0.00 C ATOM 1030 O LYS B 10 -1.048 12.803 -6.478 1.00 0.00 O ATOM 1031 CB LYS B 10 0.504 14.804 -4.414 1.00 0.00 C ATOM 1032 CG LYS B 10 0.345 15.868 -3.308 1.00 0.00 C ATOM 1033 CD LYS B 10 -1.042 16.529 -3.285 1.00 0.00 C ATOM 1034 CE LYS B 10 -1.071 17.641 -2.231 1.00 0.00 C ATOM 1035 NZ LYS B 10 -2.383 18.320 -2.181 1.00 0.00 N ATOM 0 H LYS B 10 0.756 13.163 -2.605 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.469 13.885 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.538 14.459 -4.419 1.00 0.00 H new ATOM 0 HB3 LYS B 10 0.321 15.276 -5.380 1.00 0.00 H new ATOM 0 HG2 LYS B 10 0.533 15.404 -2.340 1.00 0.00 H new ATOM 0 HG3 LYS B 10 1.103 16.639 -3.445 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.275 16.940 -4.267 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -1.806 15.784 -3.062 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -0.843 17.219 -1.252 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -0.293 18.371 -2.452 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -2.361 19.065 -1.456 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -2.590 18.745 -3.108 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -3.123 17.629 -1.944 1.00 0.00 H new ATOM 1049 N THR B 11 0.679 11.739 -5.519 1.00 0.00 N ATOM 1050 CA THR B 11 0.922 10.784 -6.623 1.00 0.00 C ATOM 1051 C THR B 11 0.144 9.467 -6.474 1.00 0.00 C ATOM 1052 O THR B 11 -0.294 8.882 -7.470 1.00 0.00 O ATOM 1053 CB THR B 11 2.418 10.432 -6.713 1.00 0.00 C ATOM 1054 OG1 THR B 11 2.938 10.069 -5.450 1.00 0.00 O ATOM 1055 CG2 THR B 11 3.252 11.600 -7.240 1.00 0.00 C ATOM 0 H THR B 11 1.322 11.618 -4.737 1.00 0.00 H new ATOM 0 HA THR B 11 0.576 11.290 -7.524 1.00 0.00 H new ATOM 0 HB THR B 11 2.485 9.593 -7.406 1.00 0.00 H new ATOM 0 HG1 THR B 11 3.889 9.849 -5.539 1.00 0.00 H new ATOM 0 HG21 THR B 11 4.301 11.306 -7.287 1.00 0.00 H new ATOM 0 HG22 THR B 11 2.907 11.873 -8.237 1.00 0.00 H new ATOM 0 HG23 THR B 11 3.144 12.455 -6.572 1.00 0.00 H new ATOM 1063 N LEU B 12 -0.055 8.997 -5.239 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.700 7.720 -4.915 1.00 0.00 C ATOM 1065 C LEU B 12 -1.488 7.789 -3.591 1.00 0.00 C ATOM 1066 O LEU B 12 -1.057 8.423 -2.624 1.00 0.00 O ATOM 1067 CB LEU B 12 0.398 6.630 -4.922 1.00 0.00 C ATOM 1068 CG LEU B 12 -0.078 5.197 -4.600 1.00 0.00 C ATOM 1069 CD1 LEU B 12 0.758 4.171 -5.360 1.00 0.00 C ATOM 1070 CD2 LEU B 12 0.062 4.871 -3.115 1.00 0.00 C ATOM 0 H LEU B 12 0.238 9.512 -4.409 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.454 7.471 -5.662 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.871 6.624 -5.904 1.00 0.00 H new ATOM 0 HB3 LEU B 12 1.165 6.909 -4.200 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.126 5.150 -4.894 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.408 3.167 -5.120 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.660 4.343 -6.432 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.805 4.269 -5.071 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -0.284 3.854 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.108 4.957 -2.821 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.538 5.569 -2.531 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.631 7.102 -3.550 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.503 6.967 -2.369 1.00 0.00 C ATOM 1084 C LYS B 13 -3.970 5.513 -2.188 1.00 0.00 C ATOM 1085 O LYS B 13 -4.085 4.773 -3.167 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.731 7.887 -2.506 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.371 9.380 -2.570 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.631 10.256 -2.594 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.243 11.737 -2.679 1.00 0.00 C ATOM 1090 NZ LYS B 13 -6.432 12.614 -2.713 1.00 0.00 N ATOM 0 H LYS B 13 -2.993 6.605 -4.364 1.00 0.00 H new ATOM 0 HA LYS B 13 -2.925 7.258 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -5.281 7.615 -3.407 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.399 7.718 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -3.757 9.646 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.773 9.574 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -6.255 9.986 -3.446 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -6.224 10.078 -1.697 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.622 12.000 -1.823 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -4.642 11.905 -3.573 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -6.129 13.607 -2.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -7.012 12.380 -3.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -6.993 12.472 -1.849 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.267 5.088 -0.958 1.00 0.00 N ATOM 1105 CA GLY B 14 -4.683 3.704 -0.682 1.00 0.00 C ATOM 1106 C GLY B 14 -4.968 3.364 0.784 1.00 0.00 C ATOM 1107 O GLY B 14 -4.942 4.229 1.661 1.00 0.00 O ATOM 0 H GLY B 14 -4.228 5.683 -0.131 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -5.581 3.493 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -3.904 3.033 -1.044 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.236 2.081 1.039 1.00 0.00 N ATOM 1112 CA GLU B 15 -5.552 1.487 2.358 1.00 0.00 C ATOM 1113 C GLU B 15 -5.058 0.042 2.452 1.00 0.00 C ATOM 1114 O GLU B 15 -5.203 -0.725 1.497 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.070 1.451 2.616 1.00 0.00 C ATOM 1116 CG GLU B 15 -7.714 2.826 2.780 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.214 2.674 2.990 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -9.640 2.505 4.154 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -9.964 2.728 1.989 1.00 0.00 O ATOM 0 H GLU B 15 -5.241 1.383 0.295 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.052 2.117 3.094 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -7.555 0.932 1.789 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.260 0.865 3.515 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.270 3.346 3.629 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.522 3.435 1.897 1.00 0.00 H new ATOM 1126 N THR B 16 -4.520 -0.346 3.606 1.00 0.00 N ATOM 1127 CA THR B 16 -4.072 -1.724 3.894 1.00 0.00 C ATOM 1128 C THR B 16 -4.423 -2.195 5.316 1.00 0.00 C ATOM 1129 O THR B 16 -4.758 -1.395 6.193 1.00 0.00 O ATOM 1130 CB THR B 16 -2.559 -1.941 3.650 1.00 0.00 C ATOM 1131 OG1 THR B 16 -1.769 -1.499 4.724 1.00 0.00 O ATOM 1132 CG2 THR B 16 -1.991 -1.265 2.403 1.00 0.00 C ATOM 0 H THR B 16 -4.377 0.294 4.388 1.00 0.00 H new ATOM 0 HA THR B 16 -4.629 -2.331 3.180 1.00 0.00 H new ATOM 0 HB THR B 16 -2.507 -3.022 3.522 1.00 0.00 H new ATOM 0 HG1 THR B 16 -0.823 -1.659 4.522 1.00 0.00 H new ATOM 0 HG21 THR B 16 -0.925 -1.480 2.326 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.503 -1.644 1.518 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.139 -0.187 2.474 1.00 0.00 H new ATOM 1140 N THR B 17 -4.354 -3.506 5.551 1.00 0.00 N ATOM 1141 CA THR B 17 -4.712 -4.167 6.821 1.00 0.00 C ATOM 1142 C THR B 17 -3.748 -5.327 7.128 1.00 0.00 C ATOM 1143 O THR B 17 -3.290 -6.019 6.214 1.00 0.00 O ATOM 1144 CB THR B 17 -6.165 -4.707 6.792 1.00 0.00 C ATOM 1145 OG1 THR B 17 -7.044 -3.908 6.024 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.788 -4.799 8.181 1.00 0.00 C ATOM 0 H THR B 17 -4.037 -4.166 4.841 1.00 0.00 H new ATOM 0 HA THR B 17 -4.633 -3.413 7.604 1.00 0.00 H new ATOM 0 HB THR B 17 -6.058 -5.695 6.344 1.00 0.00 H new ATOM 0 HG1 THR B 17 -7.942 -4.299 6.042 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.805 -5.183 8.099 1.00 0.00 H new ATOM 0 HG22 THR B 17 -6.195 -5.471 8.802 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.810 -3.809 8.636 1.00 0.00 H new ATOM 1154 N THR B 18 -3.439 -5.548 8.408 1.00 0.00 N ATOM 1155 CA THR B 18 -2.484 -6.556 8.917 1.00 0.00 C ATOM 1156 C THR B 18 -2.971 -7.163 10.244 1.00 0.00 C ATOM 1157 O THR B 18 -3.885 -6.624 10.875 1.00 0.00 O ATOM 1158 CB THR B 18 -1.079 -5.931 9.100 1.00 0.00 C ATOM 1159 OG1 THR B 18 -0.076 -6.903 9.294 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.976 -4.979 10.297 1.00 0.00 C ATOM 0 H THR B 18 -3.865 -5.007 9.160 1.00 0.00 H new ATOM 0 HA THR B 18 -2.420 -7.356 8.179 1.00 0.00 H new ATOM 0 HB THR B 18 -0.929 -5.383 8.170 1.00 0.00 H new ATOM 0 HG1 THR B 18 -0.006 -7.465 8.494 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.037 -4.581 10.360 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.681 -4.157 10.170 1.00 0.00 H new ATOM 0 HG23 THR B 18 -1.211 -5.520 11.214 1.00 0.00 H new ATOM 1168 N GLU B 19 -2.381 -8.275 10.695 1.00 0.00 N ATOM 1169 CA GLU B 19 -2.642 -8.904 12.008 1.00 0.00 C ATOM 1170 C GLU B 19 -1.331 -9.156 12.747 1.00 0.00 C ATOM 1171 O GLU B 19 -0.493 -9.942 12.301 1.00 0.00 O ATOM 1172 CB GLU B 19 -3.451 -10.202 11.855 1.00 0.00 C ATOM 1173 CG GLU B 19 -3.810 -10.825 13.204 1.00 0.00 C ATOM 1174 CD GLU B 19 -4.663 -12.067 12.997 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -4.094 -13.135 12.674 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -5.897 -11.977 13.184 1.00 0.00 O ATOM 0 H GLU B 19 -1.687 -8.782 10.146 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.243 -8.215 12.601 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.365 -9.994 11.299 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -2.876 -10.918 11.268 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -2.901 -11.085 13.746 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.350 -10.102 13.815 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.156 -8.463 13.869 1.00 0.00 N ATOM 1184 CA ALA B 20 0.078 -8.375 14.627 1.00 0.00 C ATOM 1185 C ALA B 20 -0.174 -8.597 16.126 1.00 0.00 C ATOM 1186 O ALA B 20 -1.315 -8.567 16.605 1.00 0.00 O ATOM 1187 CB ALA B 20 0.671 -6.990 14.360 1.00 0.00 C ATOM 0 H ALA B 20 -1.911 -7.923 14.291 1.00 0.00 H new ATOM 0 HA ALA B 20 0.775 -9.153 14.317 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.604 -6.881 14.913 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.866 -6.877 13.294 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -0.034 -6.224 14.683 1.00 0.00 H new ATOM 1193 N VAL B 21 0.905 -8.820 16.874 1.00 0.00 N ATOM 1194 CA VAL B 21 0.820 -9.039 18.329 1.00 0.00 C ATOM 1195 C VAL B 21 0.402 -7.760 19.062 1.00 0.00 C ATOM 1196 O VAL B 21 -0.463 -7.827 19.941 1.00 0.00 O ATOM 1197 CB VAL B 21 2.115 -9.649 18.892 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.337 -8.814 18.515 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.076 -9.855 20.411 1.00 0.00 C ATOM 0 H VAL B 21 1.854 -8.855 16.501 1.00 0.00 H new ATOM 0 HA VAL B 21 0.035 -9.774 18.508 1.00 0.00 H new ATOM 0 HB VAL B 21 2.197 -10.634 18.432 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.234 -9.274 18.929 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.423 -8.764 17.430 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.227 -7.807 18.917 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.019 -10.288 20.744 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.923 -8.895 20.905 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.258 -10.528 20.666 1.00 0.00 H new ATOM 1209 N ASP B 22 0.900 -6.578 18.664 1.00 0.00 N ATOM 1210 CA ASP B 22 0.515 -5.273 19.215 1.00 0.00 C ATOM 1211 C ASP B 22 0.740 -4.151 18.185 1.00 0.00 C ATOM 1212 O ASP B 22 1.371 -4.334 17.140 1.00 0.00 O ATOM 1213 CB ASP B 22 1.385 -4.989 20.462 1.00 0.00 C ATOM 1214 CG ASP B 22 0.974 -3.768 21.314 1.00 0.00 C ATOM 1215 OD1 ASP B 22 -0.244 -3.528 21.489 1.00 0.00 O ATOM 1216 OD2 ASP B 22 1.880 -3.042 21.790 1.00 0.00 O ATOM 0 H ASP B 22 1.602 -6.504 17.928 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.543 -5.298 19.475 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.370 -5.873 21.100 1.00 0.00 H new ATOM 0 HB3 ASP B 22 2.416 -4.849 20.136 1.00 0.00 H new ATOM 1221 N ALA B 23 0.251 -2.978 18.554 1.00 0.00 N ATOM 1222 CA ALA B 23 0.285 -1.743 17.772 1.00 0.00 C ATOM 1223 C ALA B 23 1.704 -1.362 17.305 1.00 0.00 C ATOM 1224 O ALA B 23 1.866 -0.790 16.238 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.351 -0.613 18.587 1.00 0.00 C ATOM 0 H ALA B 23 -0.207 -2.850 19.457 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.290 -1.910 16.861 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.328 0.310 18.008 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.384 -0.870 18.820 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.206 -0.474 19.513 1.00 0.00 H new ATOM 1231 N ALA B 24 2.744 -1.732 18.060 1.00 0.00 N ATOM 1232 CA ALA B 24 4.135 -1.471 17.718 1.00 0.00 C ATOM 1233 C ALA B 24 4.647 -2.430 16.633 1.00 0.00 C ATOM 1234 O ALA B 24 5.416 -2.022 15.767 1.00 0.00 O ATOM 1235 CB ALA B 24 4.993 -1.563 18.986 1.00 0.00 C ATOM 0 H ALA B 24 2.634 -2.231 18.943 1.00 0.00 H new ATOM 0 HA ALA B 24 4.208 -0.465 17.304 1.00 0.00 H new ATOM 0 HB1 ALA B 24 6.036 -1.368 18.735 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.651 -0.825 19.711 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.903 -2.561 19.414 1.00 0.00 H new ATOM 1241 N THR B 25 4.195 -3.689 16.608 1.00 0.00 N ATOM 1242 CA THR B 25 4.468 -4.640 15.519 1.00 0.00 C ATOM 1243 C THR B 25 3.696 -4.268 14.247 1.00 0.00 C ATOM 1244 O THR B 25 4.290 -4.197 13.174 1.00 0.00 O ATOM 1245 CB THR B 25 4.120 -6.068 15.959 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.739 -6.355 17.194 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.558 -7.136 14.956 1.00 0.00 C ATOM 0 H THR B 25 3.621 -4.084 17.353 1.00 0.00 H new ATOM 0 HA THR B 25 5.532 -4.591 15.289 1.00 0.00 H new ATOM 0 HB THR B 25 3.033 -6.101 16.036 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.213 -7.211 17.131 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.281 -8.122 15.330 1.00 0.00 H new ATOM 0 HG22 THR B 25 4.067 -6.960 13.999 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.639 -7.089 14.823 1.00 0.00 H new ATOM 1255 N ALA B 26 2.407 -3.922 14.342 1.00 0.00 N ATOM 1256 CA ALA B 26 1.643 -3.409 13.190 1.00 0.00 C ATOM 1257 C ALA B 26 2.228 -2.110 12.591 1.00 0.00 C ATOM 1258 O ALA B 26 2.345 -1.979 11.373 1.00 0.00 O ATOM 1259 CB ALA B 26 0.201 -3.173 13.625 1.00 0.00 C ATOM 0 H ALA B 26 1.867 -3.987 15.205 1.00 0.00 H new ATOM 0 HA ALA B 26 1.700 -4.160 12.402 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.376 -2.793 12.782 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.234 -4.112 13.969 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.180 -2.445 14.436 1.00 0.00 H new ATOM 1265 N GLU B 27 2.691 -1.216 13.474 1.00 0.00 N ATOM 1266 CA GLU B 27 3.459 -0.010 13.086 1.00 0.00 C ATOM 1267 C GLU B 27 4.772 -0.388 12.409 1.00 0.00 C ATOM 1268 O GLU B 27 5.115 0.178 11.371 1.00 0.00 O ATOM 1269 CB GLU B 27 3.748 0.942 14.258 1.00 0.00 C ATOM 1270 CG GLU B 27 4.199 2.318 13.759 1.00 0.00 C ATOM 1271 CD GLU B 27 4.727 3.165 14.906 1.00 0.00 C ATOM 1272 OE1 GLU B 27 3.919 3.640 15.733 1.00 0.00 O ATOM 1273 OE2 GLU B 27 5.959 3.383 14.949 1.00 0.00 O ATOM 0 H GLU B 27 2.547 -1.302 14.480 1.00 0.00 H new ATOM 0 HA GLU B 27 2.818 0.525 12.385 1.00 0.00 H new ATOM 0 HB2 GLU B 27 2.853 1.050 14.871 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.521 0.513 14.896 1.00 0.00 H new ATOM 0 HG2 GLU B 27 4.975 2.199 13.003 1.00 0.00 H new ATOM 0 HG3 GLU B 27 3.363 2.828 13.280 1.00 0.00 H new ATOM 1280 N LYS B 28 5.480 -1.390 12.936 1.00 0.00 N ATOM 1281 CA LYS B 28 6.720 -1.874 12.309 1.00 0.00 C ATOM 1282 C LYS B 28 6.470 -2.444 10.897 1.00 0.00 C ATOM 1283 O LYS B 28 7.138 -2.035 9.946 1.00 0.00 O ATOM 1284 CB LYS B 28 7.399 -2.901 13.234 1.00 0.00 C ATOM 1285 CG LYS B 28 8.780 -3.356 12.731 1.00 0.00 C ATOM 1286 CD LYS B 28 9.408 -4.436 13.627 1.00 0.00 C ATOM 1287 CE LYS B 28 9.639 -3.941 15.061 1.00 0.00 C ATOM 1288 NZ LYS B 28 10.314 -4.957 15.896 1.00 0.00 N ATOM 0 H LYS B 28 5.221 -1.882 13.791 1.00 0.00 H new ATOM 0 HA LYS B 28 7.394 -1.028 12.175 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.507 -2.468 14.228 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.752 -3.772 13.335 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.684 -3.742 11.716 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.447 -2.495 12.683 1.00 0.00 H new ATOM 0 HD2 LYS B 28 8.758 -5.311 13.647 1.00 0.00 H new ATOM 0 HD3 LYS B 28 10.358 -4.754 13.197 1.00 0.00 H new ATOM 0 HE2 LYS B 28 10.241 -3.032 15.038 1.00 0.00 H new ATOM 0 HE3 LYS B 28 8.682 -3.678 15.512 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 10.451 -4.582 16.856 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 9.728 -5.815 15.940 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 11.239 -5.189 15.480 1.00 0.00 H new ATOM 1302 N VAL B 29 5.485 -3.336 10.719 1.00 0.00 N ATOM 1303 CA VAL B 29 5.105 -3.903 9.408 1.00 0.00 C ATOM 1304 C VAL B 29 4.703 -2.801 8.419 1.00 0.00 C ATOM 1305 O VAL B 29 5.275 -2.707 7.334 1.00 0.00 O ATOM 1306 CB VAL B 29 3.978 -4.949 9.572 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.441 -5.466 8.233 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.486 -6.172 10.351 1.00 0.00 C ATOM 0 H VAL B 29 4.919 -3.692 11.490 1.00 0.00 H new ATOM 0 HA VAL B 29 5.977 -4.409 8.994 1.00 0.00 H new ATOM 0 HB VAL B 29 3.179 -4.434 10.105 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.653 -6.197 8.415 1.00 0.00 H new ATOM 0 HG12 VAL B 29 3.038 -4.633 7.657 1.00 0.00 H new ATOM 0 HG13 VAL B 29 4.250 -5.936 7.674 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.679 -6.897 10.456 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.316 -6.628 9.811 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.824 -5.859 11.339 1.00 0.00 H new ATOM 1318 N PHE B 30 3.788 -1.912 8.809 1.00 0.00 N ATOM 1319 CA PHE B 30 3.400 -0.782 7.958 1.00 0.00 C ATOM 1320 C PHE B 30 4.577 0.149 7.591 1.00 0.00 C ATOM 1321 O PHE B 30 4.664 0.611 6.452 1.00 0.00 O ATOM 1322 CB PHE B 30 2.270 0.025 8.608 1.00 0.00 C ATOM 1323 CG PHE B 30 0.942 -0.693 8.804 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.407 -1.512 7.787 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.207 -0.499 9.991 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.844 -2.130 7.956 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -1.049 -1.111 10.156 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.578 -1.915 9.133 1.00 0.00 C ATOM 0 H PHE B 30 3.302 -1.951 9.705 1.00 0.00 H new ATOM 0 HA PHE B 30 3.047 -1.219 7.024 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.616 0.372 9.582 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.091 0.911 7.999 1.00 0.00 H new ATOM 0 HD1 PHE B 30 0.962 -1.665 6.873 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.610 0.122 10.777 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.240 -2.770 7.181 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.606 -0.963 11.069 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.551 -2.368 9.252 1.00 0.00 H new ATOM 1338 N LYS B 31 5.524 0.367 8.507 1.00 0.00 N ATOM 1339 CA LYS B 31 6.757 1.110 8.204 1.00 0.00 C ATOM 1340 C LYS B 31 7.751 0.351 7.304 1.00 0.00 C ATOM 1341 O LYS B 31 8.596 0.984 6.671 1.00 0.00 O ATOM 1342 CB LYS B 31 7.440 1.582 9.493 1.00 0.00 C ATOM 1343 CG LYS B 31 6.705 2.809 10.046 1.00 0.00 C ATOM 1344 CD LYS B 31 7.352 3.297 11.342 1.00 0.00 C ATOM 1345 CE LYS B 31 6.679 4.603 11.777 1.00 0.00 C ATOM 1346 NZ LYS B 31 7.205 5.088 13.068 1.00 0.00 N ATOM 0 H LYS B 31 5.463 0.039 9.471 1.00 0.00 H new ATOM 0 HA LYS B 31 6.440 1.976 7.623 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.438 0.781 10.232 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.483 1.829 9.294 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.717 3.609 9.306 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.660 2.560 10.229 1.00 0.00 H new ATOM 0 HD2 LYS B 31 7.248 2.542 12.122 1.00 0.00 H new ATOM 0 HD3 LYS B 31 8.420 3.456 11.193 1.00 0.00 H new ATOM 0 HE2 LYS B 31 6.834 5.364 11.012 1.00 0.00 H new ATOM 0 HE3 LYS B 31 5.603 4.448 11.858 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 6.938 6.085 13.199 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 6.807 4.518 13.841 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 8.242 5.003 13.074 1.00 0.00 H new ATOM 1360 N GLN B 32 7.676 -0.980 7.199 1.00 0.00 N ATOM 1361 CA GLN B 32 8.453 -1.778 6.238 1.00 0.00 C ATOM 1362 C GLN B 32 8.015 -1.523 4.781 1.00 0.00 C ATOM 1363 O GLN B 32 8.855 -1.304 3.906 1.00 0.00 O ATOM 1364 CB GLN B 32 8.285 -3.260 6.620 1.00 0.00 C ATOM 1365 CG GLN B 32 9.444 -4.167 6.210 1.00 0.00 C ATOM 1366 CD GLN B 32 9.282 -5.514 6.883 1.00 0.00 C ATOM 1367 OE1 GLN B 32 8.809 -6.480 6.300 1.00 0.00 O ATOM 1368 NE2 GLN B 32 9.625 -5.599 8.152 1.00 0.00 N ATOM 0 H GLN B 32 7.064 -1.545 7.788 1.00 0.00 H new ATOM 0 HA GLN B 32 9.502 -1.488 6.287 1.00 0.00 H new ATOM 0 HB2 GLN B 32 8.154 -3.329 7.700 1.00 0.00 H new ATOM 0 HB3 GLN B 32 7.370 -3.636 6.163 1.00 0.00 H new ATOM 0 HG2 GLN B 32 9.462 -4.288 5.127 1.00 0.00 H new ATOM 0 HG3 GLN B 32 10.394 -3.716 6.496 1.00 0.00 H new ATOM 0 HE21 GLN B 32 10.019 -4.788 8.629 1.00 0.00 H new ATOM 0 HE22 GLN B 32 9.497 -6.476 8.657 1.00 0.00 H new ATOM 1377 N TYR B 33 6.700 -1.495 4.520 1.00 0.00 N ATOM 1378 CA TYR B 33 6.120 -1.193 3.195 1.00 0.00 C ATOM 1379 C TYR B 33 6.148 0.313 2.845 1.00 0.00 C ATOM 1380 O TYR B 33 6.446 0.683 1.710 1.00 0.00 O ATOM 1381 CB TYR B 33 4.662 -1.695 3.146 1.00 0.00 C ATOM 1382 CG TYR B 33 4.486 -3.195 2.942 1.00 0.00 C ATOM 1383 CD1 TYR B 33 4.821 -4.106 3.965 1.00 0.00 C ATOM 1384 CD2 TYR B 33 3.952 -3.682 1.731 1.00 0.00 C ATOM 1385 CE1 TYR B 33 4.643 -5.488 3.770 1.00 0.00 C ATOM 1386 CE2 TYR B 33 3.767 -5.067 1.542 1.00 0.00 C ATOM 1387 CZ TYR B 33 4.116 -5.968 2.563 1.00 0.00 C ATOM 1388 OH TYR B 33 3.933 -7.307 2.393 1.00 0.00 O ATOM 0 H TYR B 33 5.995 -1.684 5.232 1.00 0.00 H new ATOM 0 HA TYR B 33 6.737 -1.706 2.457 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.169 -1.413 4.076 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.145 -1.174 2.340 1.00 0.00 H new ATOM 0 HD1 TYR B 33 5.216 -3.741 4.902 1.00 0.00 H new ATOM 0 HD2 TYR B 33 3.684 -2.991 0.945 1.00 0.00 H new ATOM 0 HE1 TYR B 33 4.913 -6.181 4.553 1.00 0.00 H new ATOM 0 HE2 TYR B 33 3.357 -5.435 0.613 1.00 0.00 H new ATOM 0 HH TYR B 33 3.349 -7.462 1.621 1.00 0.00 H new ATOM 1398 N PHE B 34 5.859 1.157 3.840 1.00 0.00 N ATOM 1399 CA PHE B 34 5.619 2.607 3.678 1.00 0.00 C ATOM 1400 C PHE B 34 6.713 3.525 4.275 1.00 0.00 C ATOM 1401 O PHE B 34 6.438 4.638 4.732 1.00 0.00 O ATOM 1402 CB PHE B 34 4.185 2.949 4.122 1.00 0.00 C ATOM 1403 CG PHE B 34 3.127 2.111 3.420 1.00 0.00 C ATOM 1404 CD1 PHE B 34 2.987 2.191 2.020 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.320 1.214 4.148 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.065 1.367 1.351 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.393 0.394 3.478 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.272 0.468 2.078 1.00 0.00 C ATOM 0 H PHE B 34 5.782 0.849 4.809 1.00 0.00 H new ATOM 0 HA PHE B 34 5.704 2.831 2.615 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.100 2.803 5.199 1.00 0.00 H new ATOM 0 HB3 PHE B 34 3.993 4.004 3.927 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.591 2.889 1.458 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.413 1.156 5.222 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.968 1.427 0.277 1.00 0.00 H new ATOM 0 HE2 PHE B 34 0.775 -0.292 4.038 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.568 -0.168 1.563 1.00 0.00 H new ATOM 1418 N ASN B 35 7.964 3.055 4.284 1.00 0.00 N ATOM 1419 CA ASN B 35 9.121 3.718 4.897 1.00 0.00 C ATOM 1420 C ASN B 35 9.399 5.179 4.437 1.00 0.00 C ATOM 1421 O ASN B 35 9.746 6.027 5.265 1.00 0.00 O ATOM 1422 CB ASN B 35 10.350 2.826 4.652 1.00 0.00 C ATOM 1423 CG ASN B 35 11.387 3.020 5.741 1.00 0.00 C ATOM 1424 OD1 ASN B 35 12.371 3.734 5.585 1.00 0.00 O ATOM 1425 ND2 ASN B 35 11.180 2.384 6.876 1.00 0.00 N ATOM 0 H ASN B 35 8.209 2.167 3.847 1.00 0.00 H new ATOM 0 HA ASN B 35 8.891 3.831 5.956 1.00 0.00 H new ATOM 0 HB2 ASN B 35 10.044 1.780 4.618 1.00 0.00 H new ATOM 0 HB3 ASN B 35 10.788 3.062 3.682 1.00 0.00 H new ATOM 0 HD21 ASN B 35 11.844 2.481 7.644 1.00 0.00 H new ATOM 0 HD22 ASN B 35 10.355 1.794 6.987 1.00 0.00 H new ATOM 1432 N ASP B 36 9.246 5.472 3.137 1.00 0.00 N ATOM 1433 CA ASP B 36 9.395 6.808 2.508 1.00 0.00 C ATOM 1434 C ASP B 36 8.667 6.842 1.159 1.00 0.00 C ATOM 1435 O ASP B 36 7.691 7.579 0.989 1.00 0.00 O ATOM 1436 CB ASP B 36 10.891 7.115 2.277 1.00 0.00 C ATOM 1437 CG ASP B 36 11.179 8.534 1.736 1.00 0.00 C ATOM 1438 OD1 ASP B 36 10.833 8.816 0.564 1.00 0.00 O ATOM 1439 OD2 ASP B 36 11.796 9.344 2.468 1.00 0.00 O ATOM 0 H ASP B 36 9.003 4.753 2.456 1.00 0.00 H new ATOM 0 HA ASP B 36 8.962 7.555 3.174 1.00 0.00 H new ATOM 0 HB2 ASP B 36 11.425 6.983 3.218 1.00 0.00 H new ATOM 0 HB3 ASP B 36 11.295 6.384 1.576 1.00 0.00 H new ATOM 1444 N ASN B 37 9.106 5.955 0.259 1.00 0.00 N ATOM 1445 CA ASN B 37 8.562 5.602 -1.042 1.00 0.00 C ATOM 1446 C ASN B 37 8.659 6.784 -2.035 1.00 0.00 C ATOM 1447 O ASN B 37 9.566 6.842 -2.869 1.00 0.00 O ATOM 1448 CB ASN B 37 7.167 4.980 -0.845 1.00 0.00 C ATOM 1449 CG ASN B 37 7.150 3.778 0.102 1.00 0.00 C ATOM 1450 OD1 ASN B 37 7.899 3.627 1.061 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.247 2.870 -0.137 1.00 0.00 N ATOM 0 H ASN B 37 9.946 5.410 0.454 1.00 0.00 H new ATOM 0 HA ASN B 37 9.161 4.832 -1.528 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.491 5.743 -0.459 1.00 0.00 H new ATOM 0 HB3 ASN B 37 6.778 4.671 -1.815 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.173 2.053 0.469 1.00 0.00 H new ATOM 0 HD22 ASN B 37 5.614 2.977 -0.930 1.00 0.00 H new ATOM 1458 N GLY B 38 7.751 7.742 -1.885 1.00 0.00 N ATOM 1459 CA GLY B 38 7.689 8.984 -2.670 1.00 0.00 C ATOM 1460 C GLY B 38 6.967 10.155 -1.998 1.00 0.00 C ATOM 1461 O GLY B 38 6.676 11.146 -2.671 1.00 0.00 O ATOM 0 H GLY B 38 7.008 7.679 -1.190 1.00 0.00 H new ATOM 0 HA2 GLY B 38 8.707 9.295 -2.906 1.00 0.00 H new ATOM 0 HA3 GLY B 38 7.193 8.770 -3.617 1.00 0.00 H new ATOM 1465 N VAL B 39 6.658 10.047 -0.700 1.00 0.00 N ATOM 1466 CA VAL B 39 5.810 11.016 0.030 1.00 0.00 C ATOM 1467 C VAL B 39 6.307 11.392 1.432 1.00 0.00 C ATOM 1468 O VAL B 39 6.016 12.500 1.884 1.00 0.00 O ATOM 1469 CB VAL B 39 4.344 10.533 0.127 1.00 0.00 C ATOM 1470 CG1 VAL B 39 3.693 10.423 -1.258 1.00 0.00 C ATOM 1471 CG2 VAL B 39 4.178 9.186 0.847 1.00 0.00 C ATOM 0 H VAL B 39 6.989 9.280 -0.115 1.00 0.00 H new ATOM 0 HA VAL B 39 5.874 11.920 -0.575 1.00 0.00 H new ATOM 0 HB VAL B 39 3.845 11.297 0.723 1.00 0.00 H new ATOM 0 HG11 VAL B 39 2.664 10.081 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL B 39 3.702 11.399 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL B 39 4.250 9.711 -1.866 1.00 0.00 H new ATOM 0 HG21 VAL B 39 3.122 8.916 0.874 1.00 0.00 H new ATOM 0 HG22 VAL B 39 4.736 8.417 0.313 1.00 0.00 H new ATOM 0 HG23 VAL B 39 4.558 9.269 1.865 1.00 0.00 H new ATOM 1481 N ASP B 40 7.077 10.521 2.111 1.00 0.00 N ATOM 1482 CA ASP B 40 7.581 10.708 3.495 1.00 0.00 C ATOM 1483 C ASP B 40 6.547 11.342 4.457 1.00 0.00 C ATOM 1484 O ASP B 40 6.825 12.315 5.165 1.00 0.00 O ATOM 1485 CB ASP B 40 8.923 11.474 3.451 1.00 0.00 C ATOM 1486 CG ASP B 40 9.666 11.550 4.808 1.00 0.00 C ATOM 1487 OD1 ASP B 40 9.635 10.567 5.589 1.00 0.00 O ATOM 1488 OD2 ASP B 40 10.310 12.594 5.080 1.00 0.00 O ATOM 0 H ASP B 40 7.378 9.636 1.702 1.00 0.00 H new ATOM 0 HA ASP B 40 7.757 9.722 3.924 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.576 10.996 2.721 1.00 0.00 H new ATOM 0 HB3 ASP B 40 8.736 12.488 3.096 1.00 0.00 H new ATOM 1493 N GLY B 41 5.309 10.840 4.400 1.00 0.00 N ATOM 1494 CA GLY B 41 4.148 11.441 5.070 1.00 0.00 C ATOM 1495 C GLY B 41 4.230 11.464 6.603 1.00 0.00 C ATOM 1496 O GLY B 41 4.940 10.671 7.228 1.00 0.00 O ATOM 0 H GLY B 41 5.081 9.993 3.880 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.028 12.463 4.711 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.253 10.893 4.776 1.00 0.00 H new ATOM 1500 N GLU B 42 3.462 12.369 7.213 1.00 0.00 N ATOM 1501 CA GLU B 42 3.258 12.474 8.674 1.00 0.00 C ATOM 1502 C GLU B 42 2.436 11.293 9.186 1.00 0.00 C ATOM 1503 O GLU B 42 1.339 11.054 8.681 1.00 0.00 O ATOM 1504 CB GLU B 42 2.541 13.794 9.008 1.00 0.00 C ATOM 1505 CG GLU B 42 2.399 14.075 10.505 1.00 0.00 C ATOM 1506 CD GLU B 42 3.758 14.301 11.154 1.00 0.00 C ATOM 1507 OE1 GLU B 42 4.240 15.456 11.138 1.00 0.00 O ATOM 1508 OE2 GLU B 42 4.332 13.326 11.689 1.00 0.00 O ATOM 0 H GLU B 42 2.944 13.077 6.693 1.00 0.00 H new ATOM 0 HA GLU B 42 4.232 12.459 9.164 1.00 0.00 H new ATOM 0 HB2 GLU B 42 3.087 14.617 8.547 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.548 13.778 8.558 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.771 14.953 10.655 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.897 13.237 10.989 1.00 0.00 H new ATOM 1515 N TRP B 43 2.941 10.560 10.177 1.00 0.00 N ATOM 1516 CA TRP B 43 2.250 9.406 10.769 1.00 0.00 C ATOM 1517 C TRP B 43 1.351 9.827 11.950 1.00 0.00 C ATOM 1518 O TRP B 43 1.735 10.639 12.796 1.00 0.00 O ATOM 1519 CB TRP B 43 3.276 8.350 11.216 1.00 0.00 C ATOM 1520 CG TRP B 43 3.922 7.569 10.106 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.839 8.050 9.235 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.695 6.178 9.706 1.00 0.00 C ATOM 1523 NE1 TRP B 43 5.176 7.075 8.319 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.487 5.905 8.549 1.00 0.00 C ATOM 1525 CE3 TRP B 43 2.885 5.125 10.188 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.460 4.669 7.891 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 2.854 3.875 9.538 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.630 3.651 8.387 1.00 0.00 C ATOM 0 H TRP B 43 3.850 10.749 10.599 1.00 0.00 H new ATOM 0 HA TRP B 43 1.603 8.972 10.007 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.058 8.848 11.790 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.782 7.650 11.890 1.00 0.00 H new ATOM 0 HD1 TRP B 43 5.247 9.050 9.254 1.00 0.00 H new ATOM 0 HE1 TRP B 43 5.851 7.205 7.565 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.280 5.281 11.069 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 5.069 4.501 7.015 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.230 3.084 9.927 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.588 2.696 7.885 1.00 0.00 H new ATOM 1539 N THR B 44 0.154 9.248 12.016 1.00 0.00 N ATOM 1540 CA THR B 44 -0.880 9.466 13.049 1.00 0.00 C ATOM 1541 C THR B 44 -1.516 8.118 13.423 1.00 0.00 C ATOM 1542 O THR B 44 -1.567 7.221 12.576 1.00 0.00 O ATOM 1543 CB THR B 44 -1.990 10.395 12.503 1.00 0.00 C ATOM 1544 OG1 THR B 44 -1.460 11.517 11.828 1.00 0.00 O ATOM 1545 CG2 THR B 44 -2.932 10.929 13.585 1.00 0.00 C ATOM 0 H THR B 44 -0.147 8.573 11.313 1.00 0.00 H new ATOM 0 HA THR B 44 -0.414 9.924 13.922 1.00 0.00 H new ATOM 0 HB THR B 44 -2.551 9.758 11.819 1.00 0.00 H new ATOM 0 HG1 THR B 44 -2.194 12.077 11.498 1.00 0.00 H new ATOM 0 HG21 THR B 44 -3.684 11.573 13.128 1.00 0.00 H new ATOM 0 HG22 THR B 44 -3.424 10.094 14.084 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.360 11.501 14.315 1.00 0.00 H new ATOM 1553 N TYR B 45 -2.034 7.936 14.644 1.00 0.00 N ATOM 1554 CA TYR B 45 -2.689 6.695 15.089 1.00 0.00 C ATOM 1555 C TYR B 45 -3.871 6.976 16.038 1.00 0.00 C ATOM 1556 O TYR B 45 -3.775 7.819 16.936 1.00 0.00 O ATOM 1557 CB TYR B 45 -1.650 5.821 15.810 1.00 0.00 C ATOM 1558 CG TYR B 45 -2.186 4.532 16.415 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -2.647 3.501 15.578 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -2.206 4.347 17.813 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -3.110 2.288 16.121 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -2.663 3.131 18.357 1.00 0.00 C ATOM 1563 CZ TYR B 45 -3.110 2.103 17.512 1.00 0.00 C ATOM 1564 OH TYR B 45 -3.533 0.923 18.042 1.00 0.00 O ATOM 0 H TYR B 45 -2.010 8.658 15.364 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.086 6.183 14.212 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.859 5.569 15.103 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.192 6.411 16.603 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -2.646 3.641 14.507 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -1.871 5.138 18.467 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.464 1.503 15.470 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -2.670 2.989 19.428 1.00 0.00 H new ATOM 0 HH TYR B 45 -3.468 0.961 19.019 1.00 0.00 H new ATOM 1574 N ASP B 46 -4.965 6.232 15.854 1.00 0.00 N ATOM 1575 CA ASP B 46 -6.145 6.174 16.731 1.00 0.00 C ATOM 1576 C ASP B 46 -6.307 4.757 17.276 1.00 0.00 C ATOM 1577 O ASP B 46 -6.592 3.818 16.524 1.00 0.00 O ATOM 1578 CB ASP B 46 -7.400 6.620 15.957 1.00 0.00 C ATOM 1579 CG ASP B 46 -7.388 8.110 15.553 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -7.736 8.967 16.402 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -7.065 8.422 14.380 1.00 0.00 O ATOM 0 H ASP B 46 -5.060 5.618 15.045 1.00 0.00 H new ATOM 0 HA ASP B 46 -6.010 6.854 17.572 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -7.497 6.011 15.058 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -8.281 6.427 16.569 1.00 0.00 H new ATOM 1586 N ASP B 47 -6.104 4.575 18.584 1.00 0.00 N ATOM 1587 CA ASP B 47 -6.163 3.285 19.269 1.00 0.00 C ATOM 1588 C ASP B 47 -7.591 2.733 19.357 1.00 0.00 C ATOM 1589 O ASP B 47 -7.815 1.544 19.157 1.00 0.00 O ATOM 1590 CB ASP B 47 -5.544 3.496 20.667 1.00 0.00 C ATOM 1591 CG ASP B 47 -6.366 4.390 21.625 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -6.615 5.569 21.281 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -6.777 3.901 22.704 1.00 0.00 O ATOM 0 H ASP B 47 -5.887 5.348 19.214 1.00 0.00 H new ATOM 0 HA ASP B 47 -5.606 2.535 18.707 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -5.405 2.522 21.135 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -4.554 3.936 20.545 1.00 0.00 H new ATOM 1598 N ALA B 48 -8.578 3.605 19.553 1.00 0.00 N ATOM 1599 CA ALA B 48 -10.006 3.252 19.673 1.00 0.00 C ATOM 1600 C ALA B 48 -10.634 2.637 18.394 1.00 0.00 C ATOM 1601 O ALA B 48 -11.778 2.178 18.397 1.00 0.00 O ATOM 1602 CB ALA B 48 -10.766 4.516 20.099 1.00 0.00 C ATOM 0 H ALA B 48 -8.410 4.608 19.636 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.087 2.461 20.419 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -11.827 4.287 20.196 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.381 4.867 21.057 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.630 5.293 19.347 1.00 0.00 H new ATOM 1608 N THR B 49 -9.871 2.672 17.302 1.00 0.00 N ATOM 1609 CA THR B 49 -10.153 1.973 16.040 1.00 0.00 C ATOM 1610 C THR B 49 -8.980 1.135 15.488 1.00 0.00 C ATOM 1611 O THR B 49 -9.012 0.763 14.313 1.00 0.00 O ATOM 1612 CB THR B 49 -10.787 2.944 15.020 1.00 0.00 C ATOM 1613 OG1 THR B 49 -11.261 2.289 13.861 1.00 0.00 O ATOM 1614 CG2 THR B 49 -9.852 4.084 14.623 1.00 0.00 C ATOM 0 H THR B 49 -9.004 3.208 17.267 1.00 0.00 H new ATOM 0 HA THR B 49 -10.894 1.204 16.258 1.00 0.00 H new ATOM 0 HB THR B 49 -11.642 3.374 15.542 1.00 0.00 H new ATOM 0 HG1 THR B 49 -10.672 1.535 13.647 1.00 0.00 H new ATOM 0 HG21 THR B 49 -10.353 4.732 13.905 1.00 0.00 H new ATOM 0 HG22 THR B 49 -9.586 4.661 15.508 1.00 0.00 H new ATOM 0 HG23 THR B 49 -8.949 3.673 14.172 1.00 0.00 H new ATOM 1622 N LYS B 50 -7.916 0.876 16.258 1.00 0.00 N ATOM 1623 CA LYS B 50 -6.688 0.180 15.818 1.00 0.00 C ATOM 1624 C LYS B 50 -6.153 0.598 14.428 1.00 0.00 C ATOM 1625 O LYS B 50 -5.711 -0.237 13.630 1.00 0.00 O ATOM 1626 CB LYS B 50 -6.880 -1.348 15.950 1.00 0.00 C ATOM 1627 CG LYS B 50 -7.353 -1.825 17.334 1.00 0.00 C ATOM 1628 CD LYS B 50 -6.462 -1.328 18.483 1.00 0.00 C ATOM 1629 CE LYS B 50 -7.054 -1.731 19.838 1.00 0.00 C ATOM 1630 NZ LYS B 50 -6.512 -0.904 20.936 1.00 0.00 N ATOM 0 H LYS B 50 -7.879 1.152 17.239 1.00 0.00 H new ATOM 0 HA LYS B 50 -5.893 0.503 16.491 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.603 -1.674 15.203 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -5.936 -1.840 15.716 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -8.374 -1.482 17.500 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.377 -2.915 17.347 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.460 -1.744 18.380 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -6.364 -0.244 18.431 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -8.139 -1.629 19.806 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -6.838 -2.782 20.032 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -6.934 -1.204 21.838 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -5.480 -1.021 20.981 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -6.740 0.096 20.763 1.00 0.00 H new ATOM 1644 N THR B 51 -6.216 1.896 14.124 1.00 0.00 N ATOM 1645 CA THR B 51 -5.940 2.403 12.753 1.00 0.00 C ATOM 1646 C THR B 51 -4.872 3.496 12.733 1.00 0.00 C ATOM 1647 O THR B 51 -4.884 4.417 13.552 1.00 0.00 O ATOM 1648 CB THR B 51 -7.219 2.906 12.055 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.190 1.885 11.973 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.001 3.381 10.615 1.00 0.00 C ATOM 0 H THR B 51 -6.454 2.624 14.798 1.00 0.00 H new ATOM 0 HA THR B 51 -5.554 1.548 12.197 1.00 0.00 H new ATOM 0 HB THR B 51 -7.541 3.744 12.673 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.425 1.584 12.875 1.00 0.00 H new ATOM 0 HG21 THR B 51 -7.949 3.718 10.196 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.287 4.205 10.608 1.00 0.00 H new ATOM 0 HG23 THR B 51 -6.612 2.558 10.015 1.00 0.00 H new ATOM 1658 N PHE B 52 -3.958 3.412 11.764 1.00 0.00 N ATOM 1659 CA PHE B 52 -2.880 4.353 11.472 1.00 0.00 C ATOM 1660 C PHE B 52 -3.222 5.137 10.193 1.00 0.00 C ATOM 1661 O PHE B 52 -3.809 4.588 9.256 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.573 3.582 11.225 1.00 0.00 C ATOM 1663 CG PHE B 52 -0.979 2.904 12.443 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -1.366 1.594 12.790 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.038 3.590 13.233 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -0.824 0.978 13.933 1.00 0.00 C ATOM 1667 CE2 PHE B 52 0.493 2.977 14.381 1.00 0.00 C ATOM 1668 CZ PHE B 52 0.093 1.678 14.734 1.00 0.00 C ATOM 0 H PHE B 52 -3.954 2.625 11.116 1.00 0.00 H new ATOM 0 HA PHE B 52 -2.762 5.032 12.317 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -1.756 2.825 10.462 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -0.835 4.273 10.818 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.079 1.062 12.178 1.00 0.00 H new ATOM 0 HD2 PHE B 52 0.276 4.586 12.958 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.112 -0.030 14.194 1.00 0.00 H new ATOM 0 HE2 PHE B 52 1.209 3.506 14.992 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.492 1.216 15.625 1.00 0.00 H new ATOM 1678 N THR B 53 -2.828 6.401 10.128 1.00 0.00 N ATOM 1679 CA THR B 53 -3.040 7.280 8.967 1.00 0.00 C ATOM 1680 C THR B 53 -1.738 8.000 8.609 1.00 0.00 C ATOM 1681 O THR B 53 -1.039 8.502 9.494 1.00 0.00 O ATOM 1682 CB THR B 53 -4.157 8.304 9.256 1.00 0.00 C ATOM 1683 OG1 THR B 53 -5.347 7.658 9.660 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.515 9.164 8.042 1.00 0.00 C ATOM 0 H THR B 53 -2.340 6.863 10.895 1.00 0.00 H new ATOM 0 HA THR B 53 -3.349 6.667 8.120 1.00 0.00 H new ATOM 0 HB THR B 53 -3.757 8.940 10.046 1.00 0.00 H new ATOM 0 HG1 THR B 53 -6.039 8.329 9.839 1.00 0.00 H new ATOM 0 HG21 THR B 53 -5.307 9.863 8.312 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.635 9.720 7.718 1.00 0.00 H new ATOM 0 HG23 THR B 53 -4.859 8.523 7.230 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.407 8.054 7.317 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.181 8.670 6.765 1.00 0.00 C ATOM 1694 C VAL B 54 -0.580 9.704 5.708 1.00 0.00 C ATOM 1695 O VAL B 54 -1.296 9.368 4.764 1.00 0.00 O ATOM 1696 CB VAL B 54 0.772 7.609 6.179 1.00 0.00 C ATOM 1697 CG1 VAL B 54 2.090 8.243 5.715 1.00 0.00 C ATOM 1698 CG2 VAL B 54 1.121 6.542 7.225 1.00 0.00 C ATOM 0 H VAL B 54 -2.004 7.656 6.592 1.00 0.00 H new ATOM 0 HA VAL B 54 0.363 9.166 7.569 1.00 0.00 H new ATOM 0 HB VAL B 54 0.251 7.158 5.335 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.741 7.470 5.307 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.885 8.988 4.946 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.582 8.722 6.562 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.794 5.807 6.784 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.608 7.014 8.078 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.209 6.046 7.557 1.00 0.00 H new ATOM 1708 N THR B 55 -0.203 10.967 5.912 1.00 0.00 N ATOM 1709 CA THR B 55 -0.677 12.122 5.116 1.00 0.00 C ATOM 1710 C THR B 55 0.465 13.077 4.712 1.00 0.00 C ATOM 1711 O THR B 55 1.370 13.316 5.518 1.00 0.00 O ATOM 1712 CB THR B 55 -1.807 12.863 5.863 1.00 0.00 C ATOM 1713 OG1 THR B 55 -2.888 11.993 6.119 1.00 0.00 O ATOM 1714 CG2 THR B 55 -2.389 14.048 5.092 1.00 0.00 C ATOM 0 H THR B 55 0.453 11.231 6.647 1.00 0.00 H new ATOM 0 HA THR B 55 -1.081 11.730 4.183 1.00 0.00 H new ATOM 0 HB THR B 55 -1.337 13.227 6.777 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.594 12.479 6.594 1.00 0.00 H new ATOM 0 HG21 THR B 55 -3.177 14.515 5.683 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.602 14.776 4.896 1.00 0.00 H new ATOM 0 HG23 THR B 55 -2.804 13.699 4.147 1.00 0.00 H new ATOM 1722 N GLU B 56 0.455 13.610 3.478 1.00 0.00 N ATOM 1723 CA GLU B 56 1.364 14.702 3.047 1.00 0.00 C ATOM 1724 C GLU B 56 0.892 16.064 3.565 1.00 0.00 C ATOM 1725 O GLU B 56 1.682 16.728 4.269 1.00 0.00 O ATOM 1726 CB GLU B 56 1.521 14.780 1.523 1.00 0.00 C ATOM 1727 CG GLU B 56 2.392 13.645 0.992 1.00 0.00 C ATOM 1728 CD GLU B 56 2.788 13.927 -0.448 1.00 0.00 C ATOM 1729 OE1 GLU B 56 3.811 14.614 -0.662 1.00 0.00 O ATOM 1730 OE2 GLU B 56 2.067 13.462 -1.356 1.00 0.00 O ATOM 1731 OXT GLU B 56 -0.253 16.459 3.258 1.00 0.00 O ATOM 0 H GLU B 56 -0.183 13.299 2.745 1.00 0.00 H new ATOM 0 HA GLU B 56 2.334 14.459 3.480 1.00 0.00 H new ATOM 0 HB2 GLU B 56 0.539 14.737 1.052 1.00 0.00 H new ATOM 0 HB3 GLU B 56 1.964 15.738 1.250 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.284 13.540 1.610 1.00 0.00 H new ATOM 0 HG3 GLU B 56 1.850 12.701 1.051 1.00 0.00 H new