USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=37 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: A 33 TYR OH : rot 16:sc= 0.486 USER MOD Set 1.2: B 11 THR OG1 : rot -113:sc= 1.63 USER MOD Set 2.1: B 8 ASN : amide:sc= 0.742 K(o=0.74,f=0.0024) USER MOD Set 2.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 49 THR OG1 : rot -59:sc= 2.13 USER MOD Set 3.2: A 51 THR OG1 : rot 101:sc= 0.95 USER MOD Set 4.1: A 11 THR OG1 : rot -172:sc= 0.134 USER MOD Set 4.2: B 33 TYR OH : rot 51:sc= 0.142 USER MOD Set 5.1: A 8 ASN : amide:sc= 0.803 K(o=0.8,f=0) USER MOD Set 5.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.407 (180deg=0.399) USER MOD Single : A 2 GLN : amide:sc= 0.0592 X(o=0.059,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 169:sc= 1.03 (180deg=0.937) USER MOD Single : A 10 LYS NZ :NH3+ -173:sc= 0.474 (180deg=0.35) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 25 THR OG1 : rot -140:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= 1.12 (180deg=0.952) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 35 ASN : amide:sc= 0.68 K(o=0.68,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.043 X(o=0.043,f=-0.096) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -157:sc= 1.11 USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= 0.959 (180deg=0.789) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 178:sc= 0 (180deg=-0.00567) USER MOD Single : B 1 MET N :NH3+ 177:sc= 0.828 (180deg=0.821) USER MOD Single : B 2 GLN : amide:sc= 0.591 K(o=0.59,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 173:sc= 0.957 (180deg=0.915) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 154:sc= 0.891 (180deg=0.494) USER MOD Single : B 16 THR OG1 : rot 180:sc= -0.0686 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 84:sc= 1.24 USER MOD Single : B 25 THR OG1 : rot -140:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -113:sc= 0.0979 (180deg=0) USER MOD Single : B 32 GLN : amide:sc= 0.0296 X(o=0.03,f=0) USER MOD Single : B 35 ASN : amide:sc= 0.648 K(o=0.65,f=0) USER MOD Single : B 37 ASN : amide:sc= 1.41 K(o=1.4,f=-4.6!) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot -158:sc= 1.28 USER MOD Single : B 49 THR OG1 : rot -39:sc= 0.139 USER MOD Single : B 50 LYS NZ :NH3+ -160:sc= 1.12 (180deg=0.854) USER MOD Single : B 51 THR OG1 : rot 61:sc= 0.555 USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.051 9.315 -16.811 1.00 0.00 N ATOM 2 CA MET A 1 -5.042 8.240 -16.548 1.00 0.00 C ATOM 3 C MET A 1 -4.836 7.664 -15.149 1.00 0.00 C ATOM 4 O MET A 1 -3.697 7.483 -14.719 1.00 0.00 O ATOM 5 CB MET A 1 -4.967 7.158 -17.646 1.00 0.00 C ATOM 6 CG MET A 1 -5.904 5.956 -17.442 1.00 0.00 C ATOM 7 SD MET A 1 -7.674 6.331 -17.247 1.00 0.00 S ATOM 8 CE MET A 1 -8.085 6.908 -18.916 1.00 0.00 C ATOM 0 H1 MET A 1 -4.134 9.629 -17.799 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.233 10.118 -16.176 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.091 8.951 -16.643 1.00 0.00 H new ATOM 0 HA MET A 1 -6.048 8.659 -16.581 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.198 7.620 -18.606 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.941 6.794 -17.706 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.789 5.285 -18.294 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.572 5.410 -16.559 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.140 7.177 -18.958 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.478 7.780 -19.159 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.884 6.114 -19.635 1.00 0.00 H new ATOM 20 N GLN A 2 -5.929 7.387 -14.433 1.00 0.00 N ATOM 21 CA GLN A 2 -5.909 6.682 -13.138 1.00 0.00 C ATOM 22 C GLN A 2 -5.605 5.180 -13.331 1.00 0.00 C ATOM 23 O GLN A 2 -6.201 4.526 -14.189 1.00 0.00 O ATOM 24 CB GLN A 2 -7.270 6.848 -12.431 1.00 0.00 C ATOM 25 CG GLN A 2 -7.207 6.565 -10.921 1.00 0.00 C ATOM 26 CD GLN A 2 -6.932 7.820 -10.121 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.840 8.540 -9.725 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.681 8.117 -9.853 1.00 0.00 N ATOM 0 H GLN A 2 -6.868 7.647 -14.736 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.121 7.118 -12.524 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.633 7.864 -12.589 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.995 6.176 -12.890 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.150 6.126 -10.595 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.427 5.830 -10.722 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.931 7.512 -10.186 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.460 8.953 -9.311 1.00 0.00 H new ATOM 37 N TYR A 3 -4.696 4.634 -12.526 1.00 0.00 N ATOM 38 CA TYR A 3 -4.393 3.198 -12.419 1.00 0.00 C ATOM 39 C TYR A 3 -4.521 2.699 -10.968 1.00 0.00 C ATOM 40 O TYR A 3 -4.363 3.488 -10.031 1.00 0.00 O ATOM 41 CB TYR A 3 -2.990 2.934 -12.975 1.00 0.00 C ATOM 42 CG TYR A 3 -2.851 3.213 -14.462 1.00 0.00 C ATOM 43 CD1 TYR A 3 -3.113 2.195 -15.399 1.00 0.00 C ATOM 44 CD2 TYR A 3 -2.488 4.496 -14.914 1.00 0.00 C ATOM 45 CE1 TYR A 3 -3.070 2.476 -16.776 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.417 4.768 -16.292 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.733 3.764 -17.222 1.00 0.00 C ATOM 48 OH TYR A 3 -2.718 4.036 -18.556 1.00 0.00 O ATOM 0 H TYR A 3 -4.122 5.200 -11.901 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.121 2.641 -13.008 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.273 3.550 -12.432 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.725 1.894 -12.785 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.347 1.197 -15.059 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.263 5.274 -14.200 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.297 1.700 -17.492 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.120 5.748 -16.635 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.466 4.973 -18.696 1.00 0.00 H new ATOM 58 N LYS A 4 -4.747 1.399 -10.764 1.00 0.00 N ATOM 59 CA LYS A 4 -5.005 0.790 -9.448 1.00 0.00 C ATOM 60 C LYS A 4 -4.162 -0.483 -9.204 1.00 0.00 C ATOM 61 O LYS A 4 -3.788 -1.170 -10.151 1.00 0.00 O ATOM 62 CB LYS A 4 -6.519 0.510 -9.377 1.00 0.00 C ATOM 63 CG LYS A 4 -6.998 0.039 -7.998 1.00 0.00 C ATOM 64 CD LYS A 4 -8.510 -0.209 -7.990 1.00 0.00 C ATOM 65 CE LYS A 4 -8.906 -0.728 -6.607 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.337 -1.069 -6.523 1.00 0.00 N ATOM 0 H LYS A 4 -4.757 0.720 -11.525 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.703 1.472 -8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.060 1.417 -9.649 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.774 -0.248 -10.118 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.475 -0.877 -7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.746 0.788 -7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.047 0.712 -8.218 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.780 -0.933 -8.759 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.311 -1.609 -6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.671 0.028 -5.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.519 -1.585 -5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.903 -0.197 -6.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.600 -1.666 -7.333 1.00 0.00 H new ATOM 80 N LEU A 5 -3.902 -0.823 -7.939 1.00 0.00 N ATOM 81 CA LEU A 5 -3.098 -1.954 -7.460 1.00 0.00 C ATOM 82 C LEU A 5 -3.824 -2.682 -6.312 1.00 0.00 C ATOM 83 O LEU A 5 -4.033 -2.114 -5.239 1.00 0.00 O ATOM 84 CB LEU A 5 -1.739 -1.397 -6.991 1.00 0.00 C ATOM 85 CG LEU A 5 -0.563 -2.362 -6.756 1.00 0.00 C ATOM 86 CD1 LEU A 5 -0.765 -3.327 -5.591 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.218 -3.170 -8.001 1.00 0.00 C ATOM 0 H LEU A 5 -4.275 -0.275 -7.164 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.946 -2.681 -8.257 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.416 -0.662 -7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.911 -0.859 -6.059 1.00 0.00 H new ATOM 0 HG LEU A 5 0.265 -1.700 -6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.110 -3.970 -5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.902 -2.761 -4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.648 -3.940 -5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.618 -3.835 -7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.083 -3.761 -8.303 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.059 -2.493 -8.809 1.00 0.00 H new ATOM 99 N ILE A 6 -4.202 -3.939 -6.527 1.00 0.00 N ATOM 100 CA ILE A 6 -4.752 -4.840 -5.502 1.00 0.00 C ATOM 101 C ILE A 6 -3.605 -5.650 -4.884 1.00 0.00 C ATOM 102 O ILE A 6 -2.837 -6.295 -5.605 1.00 0.00 O ATOM 103 CB ILE A 6 -5.817 -5.777 -6.120 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.936 -4.949 -6.795 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.387 -6.722 -5.039 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.977 -5.791 -7.539 1.00 0.00 C ATOM 0 H ILE A 6 -4.135 -4.378 -7.445 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.239 -4.254 -4.723 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.348 -6.391 -6.889 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.442 -4.355 -6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.482 -4.249 -7.497 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.135 -7.376 -5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.581 -7.325 -4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.848 -6.132 -4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.726 -5.135 -7.983 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.486 -6.366 -8.324 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.461 -6.472 -6.839 1.00 0.00 H new ATOM 118 N LEU A 7 -3.498 -5.636 -3.556 1.00 0.00 N ATOM 119 CA LEU A 7 -2.466 -6.327 -2.791 1.00 0.00 C ATOM 120 C LEU A 7 -3.047 -7.547 -2.049 1.00 0.00 C ATOM 121 O LEU A 7 -3.912 -7.428 -1.177 1.00 0.00 O ATOM 122 CB LEU A 7 -1.793 -5.318 -1.838 1.00 0.00 C ATOM 123 CG LEU A 7 -0.653 -5.914 -0.990 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.556 -6.315 -1.835 1.00 0.00 C ATOM 125 CD2 LEU A 7 -0.192 -4.897 0.051 1.00 0.00 C ATOM 0 H LEU A 7 -4.152 -5.124 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.706 -6.722 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.399 -4.488 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.550 -4.905 -1.171 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.053 -6.809 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.330 -6.729 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.256 -7.064 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.946 -5.438 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.614 -5.326 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.167 -3.999 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.027 -4.639 0.703 1.00 0.00 H new ATOM 137 N ASN A 8 -2.505 -8.708 -2.405 1.00 0.00 N ATOM 138 CA ASN A 8 -2.709 -9.979 -1.724 1.00 0.00 C ATOM 139 C ASN A 8 -1.349 -10.509 -1.230 1.00 0.00 C ATOM 140 O ASN A 8 -0.350 -10.483 -1.956 1.00 0.00 O ATOM 141 CB ASN A 8 -3.437 -10.997 -2.612 1.00 0.00 C ATOM 142 CG ASN A 8 -4.563 -10.442 -3.462 1.00 0.00 C ATOM 143 OD1 ASN A 8 -5.726 -10.410 -3.075 1.00 0.00 O ATOM 144 ND2 ASN A 8 -4.227 -10.050 -4.669 1.00 0.00 N ATOM 0 H ASN A 8 -1.885 -8.790 -3.211 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.359 -9.819 -0.864 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.706 -11.465 -3.271 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.841 -11.784 -1.975 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.942 -9.708 -5.311 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.251 -10.088 -4.964 1.00 0.00 H new ATOM 151 N GLY A 9 -1.313 -10.981 0.009 1.00 0.00 N ATOM 152 CA GLY A 9 -0.082 -11.434 0.666 1.00 0.00 C ATOM 153 C GLY A 9 -0.246 -11.920 2.107 1.00 0.00 C ATOM 154 O GLY A 9 -1.336 -11.887 2.687 1.00 0.00 O ATOM 0 H GLY A 9 -2.143 -11.063 0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.348 -12.242 0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.637 -10.615 0.657 1.00 0.00 H new ATOM 158 N LYS A 10 0.868 -12.374 2.682 1.00 0.00 N ATOM 159 CA LYS A 10 0.919 -13.084 3.974 1.00 0.00 C ATOM 160 C LYS A 10 1.298 -12.189 5.181 1.00 0.00 C ATOM 161 O LYS A 10 1.234 -12.628 6.331 1.00 0.00 O ATOM 162 CB LYS A 10 1.866 -14.296 3.839 1.00 0.00 C ATOM 163 CG LYS A 10 1.561 -15.147 2.588 1.00 0.00 C ATOM 164 CD LYS A 10 2.327 -16.477 2.577 1.00 0.00 C ATOM 165 CE LYS A 10 2.286 -17.171 1.206 1.00 0.00 C ATOM 166 NZ LYS A 10 0.913 -17.422 0.721 1.00 0.00 N ATOM 0 H LYS A 10 1.788 -12.258 2.256 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.093 -13.421 4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.897 -13.944 3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.781 -14.920 4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.491 -15.348 2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.817 -14.577 1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.365 -16.297 2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.904 -17.142 3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.814 -16.555 0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.821 -18.119 1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.950 -17.995 -0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.375 -17.933 1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.446 -16.516 0.517 1.00 0.00 H new ATOM 180 N THR A 11 1.652 -10.926 4.928 1.00 0.00 N ATOM 181 CA THR A 11 2.074 -9.907 5.919 1.00 0.00 C ATOM 182 C THR A 11 1.313 -8.573 5.802 1.00 0.00 C ATOM 183 O THR A 11 1.199 -7.821 6.773 1.00 0.00 O ATOM 184 CB THR A 11 3.563 -9.569 5.718 1.00 0.00 C ATOM 185 OG1 THR A 11 3.855 -9.387 4.347 1.00 0.00 O ATOM 186 CG2 THR A 11 4.495 -10.652 6.259 1.00 0.00 C ATOM 0 H THR A 11 1.655 -10.557 3.977 1.00 0.00 H new ATOM 0 HA THR A 11 1.865 -10.350 6.893 1.00 0.00 H new ATOM 0 HB THR A 11 3.736 -8.649 6.276 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.824 -9.298 4.228 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.531 -10.359 6.089 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.324 -10.778 7.328 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.296 -11.593 5.746 1.00 0.00 H new ATOM 194 N LEU A 12 0.765 -8.283 4.619 1.00 0.00 N ATOM 195 CA LEU A 12 -0.040 -7.099 4.310 1.00 0.00 C ATOM 196 C LEU A 12 -1.041 -7.412 3.178 1.00 0.00 C ATOM 197 O LEU A 12 -0.701 -8.127 2.231 1.00 0.00 O ATOM 198 CB LEU A 12 0.919 -5.948 3.928 1.00 0.00 C ATOM 199 CG LEU A 12 0.276 -4.549 3.959 1.00 0.00 C ATOM 200 CD1 LEU A 12 -0.015 -4.097 5.387 1.00 0.00 C ATOM 201 CD2 LEU A 12 1.213 -3.510 3.351 1.00 0.00 C ATOM 0 H LEU A 12 0.876 -8.897 3.812 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.627 -6.798 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.770 -5.959 4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.309 -6.133 2.927 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.650 -4.625 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.468 -3.106 5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.700 -4.801 5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.915 -4.061 5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.739 -2.529 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.143 -3.482 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.428 -3.775 2.316 1.00 0.00 H new ATOM 213 N LYS A 13 -2.255 -6.864 3.251 1.00 0.00 N ATOM 214 CA LYS A 13 -3.275 -6.936 2.189 1.00 0.00 C ATOM 215 C LYS A 13 -4.007 -5.592 2.050 1.00 0.00 C ATOM 216 O LYS A 13 -4.164 -4.875 3.038 1.00 0.00 O ATOM 217 CB LYS A 13 -4.282 -8.060 2.491 1.00 0.00 C ATOM 218 CG LYS A 13 -3.647 -9.454 2.373 1.00 0.00 C ATOM 219 CD LYS A 13 -4.673 -10.599 2.425 1.00 0.00 C ATOM 220 CE LYS A 13 -5.358 -10.765 3.789 1.00 0.00 C ATOM 221 NZ LYS A 13 -4.436 -11.287 4.821 1.00 0.00 N ATOM 0 H LYS A 13 -2.570 -6.343 4.069 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.774 -7.156 1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.681 -7.928 3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.124 -7.986 1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.093 -9.515 1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.925 -9.586 3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.436 -10.424 1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.173 -11.532 2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.755 -9.803 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.206 -11.442 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.943 -11.382 5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.076 -12.217 4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.639 -10.629 4.939 1.00 0.00 H new ATOM 235 N GLY A 14 -4.450 -5.219 0.849 1.00 0.00 N ATOM 236 CA GLY A 14 -5.015 -3.878 0.617 1.00 0.00 C ATOM 237 C GLY A 14 -5.277 -3.488 -0.842 1.00 0.00 C ATOM 238 O GLY A 14 -5.245 -4.325 -1.744 1.00 0.00 O ATOM 0 H GLY A 14 -4.431 -5.818 0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.955 -3.805 1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.337 -3.143 1.050 1.00 0.00 H new ATOM 242 N GLU A 15 -5.530 -2.194 -1.062 1.00 0.00 N ATOM 243 CA GLU A 15 -5.796 -1.563 -2.375 1.00 0.00 C ATOM 244 C GLU A 15 -5.199 -0.156 -2.444 1.00 0.00 C ATOM 245 O GLU A 15 -5.409 0.654 -1.538 1.00 0.00 O ATOM 246 CB GLU A 15 -7.307 -1.445 -2.641 1.00 0.00 C ATOM 247 CG GLU A 15 -8.020 -2.791 -2.775 1.00 0.00 C ATOM 248 CD GLU A 15 -9.519 -2.572 -2.914 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.983 -2.332 -4.050 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.231 -2.648 -1.888 1.00 0.00 O ATOM 0 H GLU A 15 -5.558 -1.519 -0.298 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.333 -2.203 -3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.766 -0.881 -1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.461 -0.871 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.640 -3.329 -3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.814 -3.410 -1.902 1.00 0.00 H new ATOM 257 N THR A 16 -4.476 0.148 -3.520 1.00 0.00 N ATOM 258 CA THR A 16 -3.850 1.465 -3.758 1.00 0.00 C ATOM 259 C THR A 16 -4.077 1.976 -5.191 1.00 0.00 C ATOM 260 O THR A 16 -4.394 1.207 -6.099 1.00 0.00 O ATOM 261 CB THR A 16 -2.339 1.485 -3.414 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.546 0.970 -4.451 1.00 0.00 O ATOM 263 CG2 THR A 16 -1.944 0.693 -2.166 1.00 0.00 C ATOM 0 H THR A 16 -4.300 -0.521 -4.270 1.00 0.00 H new ATOM 0 HA THR A 16 -4.354 2.147 -3.073 1.00 0.00 H new ATOM 0 HB THR A 16 -2.160 2.546 -3.242 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.602 1.005 -4.189 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.868 0.770 -2.012 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.465 1.098 -1.298 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.218 -0.354 -2.298 1.00 0.00 H new ATOM 271 N THR A 17 -3.947 3.286 -5.401 1.00 0.00 N ATOM 272 CA THR A 17 -4.328 3.981 -6.645 1.00 0.00 C ATOM 273 C THR A 17 -3.386 5.159 -6.932 1.00 0.00 C ATOM 274 O THR A 17 -2.991 5.887 -6.013 1.00 0.00 O ATOM 275 CB THR A 17 -5.778 4.525 -6.562 1.00 0.00 C ATOM 276 OG1 THR A 17 -6.651 3.669 -5.851 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.413 4.736 -7.932 1.00 0.00 C ATOM 0 H THR A 17 -3.564 3.916 -4.696 1.00 0.00 H new ATOM 0 HA THR A 17 -4.257 3.248 -7.449 1.00 0.00 H new ATOM 0 HB THR A 17 -5.663 5.475 -6.040 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.549 4.062 -5.829 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.427 5.117 -7.808 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.822 5.454 -8.500 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.445 3.787 -8.468 1.00 0.00 H new ATOM 285 N THR A 18 -3.029 5.377 -8.202 1.00 0.00 N ATOM 286 CA THR A 18 -2.128 6.446 -8.679 1.00 0.00 C ATOM 287 C THR A 18 -2.620 7.003 -10.029 1.00 0.00 C ATOM 288 O THR A 18 -3.466 6.395 -10.688 1.00 0.00 O ATOM 289 CB THR A 18 -0.687 5.904 -8.845 1.00 0.00 C ATOM 290 OG1 THR A 18 0.245 6.951 -8.990 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.500 4.968 -10.048 1.00 0.00 C ATOM 0 H THR A 18 -3.372 4.791 -8.963 1.00 0.00 H new ATOM 0 HA THR A 18 -2.130 7.245 -7.938 1.00 0.00 H new ATOM 0 HB THR A 18 -0.514 5.337 -7.931 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.547 7.245 -8.105 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.537 4.634 -10.091 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.156 4.104 -9.942 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.748 5.501 -10.966 1.00 0.00 H new ATOM 299 N GLU A 19 -2.105 8.156 -10.457 1.00 0.00 N ATOM 300 CA GLU A 19 -2.314 8.749 -11.798 1.00 0.00 C ATOM 301 C GLU A 19 -0.983 8.877 -12.530 1.00 0.00 C ATOM 302 O GLU A 19 -0.040 9.485 -12.020 1.00 0.00 O ATOM 303 CB GLU A 19 -3.049 10.096 -11.708 1.00 0.00 C ATOM 304 CG GLU A 19 -3.288 10.726 -13.078 1.00 0.00 C ATOM 305 CD GLU A 19 -4.223 11.921 -12.961 1.00 0.00 C ATOM 306 OE1 GLU A 19 -3.809 12.954 -12.390 1.00 0.00 O ATOM 307 OE2 GLU A 19 -5.363 11.828 -13.468 1.00 0.00 O ATOM 0 H GLU A 19 -1.507 8.732 -9.864 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.953 8.081 -12.375 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.006 9.951 -11.207 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.468 10.783 -11.093 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.338 11.041 -13.510 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.717 9.987 -13.755 1.00 0.00 H new ATOM 314 N ALA A 20 -0.897 8.263 -13.709 1.00 0.00 N ATOM 315 CA ALA A 20 0.312 8.131 -14.505 1.00 0.00 C ATOM 316 C ALA A 20 0.037 8.414 -15.990 1.00 0.00 C ATOM 317 O ALA A 20 -1.115 8.437 -16.443 1.00 0.00 O ATOM 318 CB ALA A 20 0.848 6.713 -14.307 1.00 0.00 C ATOM 0 H ALA A 20 -1.706 7.826 -14.151 1.00 0.00 H new ATOM 0 HA ALA A 20 1.052 8.863 -14.181 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.758 6.583 -14.893 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.070 6.552 -13.252 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.099 5.992 -14.634 1.00 0.00 H new ATOM 324 N VAL A 21 1.115 8.599 -16.752 1.00 0.00 N ATOM 325 CA VAL A 21 1.016 8.786 -18.215 1.00 0.00 C ATOM 326 C VAL A 21 0.510 7.505 -18.898 1.00 0.00 C ATOM 327 O VAL A 21 -0.395 7.567 -19.736 1.00 0.00 O ATOM 328 CB VAL A 21 2.328 9.317 -18.822 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.522 8.437 -18.459 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.260 9.492 -20.342 1.00 0.00 C ATOM 0 H VAL A 21 2.068 8.625 -16.390 1.00 0.00 H new ATOM 0 HA VAL A 21 0.273 9.561 -18.406 1.00 0.00 H new ATOM 0 HB VAL A 21 2.468 10.304 -18.381 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.426 8.848 -18.908 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.636 8.407 -17.375 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.357 7.427 -18.835 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.215 9.869 -20.708 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.046 8.531 -20.810 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.471 10.201 -20.592 1.00 0.00 H new ATOM 340 N ASP A 22 1.010 6.334 -18.478 1.00 0.00 N ATOM 341 CA ASP A 22 0.649 5.018 -19.017 1.00 0.00 C ATOM 342 C ASP A 22 0.771 3.913 -17.963 1.00 0.00 C ATOM 343 O ASP A 22 1.392 4.068 -16.910 1.00 0.00 O ATOM 344 CB ASP A 22 1.614 4.710 -20.181 1.00 0.00 C ATOM 345 CG ASP A 22 1.317 3.429 -20.987 1.00 0.00 C ATOM 346 OD1 ASP A 22 0.353 3.426 -21.787 1.00 0.00 O ATOM 347 OD2 ASP A 22 2.049 2.430 -20.793 1.00 0.00 O ATOM 0 H ASP A 22 1.700 6.277 -17.729 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.390 5.044 -19.346 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.605 5.557 -20.867 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.624 4.636 -19.779 1.00 0.00 H new ATOM 352 N ALA A 23 0.216 2.774 -18.338 1.00 0.00 N ATOM 353 CA ALA A 23 0.243 1.514 -17.599 1.00 0.00 C ATOM 354 C ALA A 23 1.669 1.091 -17.194 1.00 0.00 C ATOM 355 O ALA A 23 1.849 0.505 -16.134 1.00 0.00 O ATOM 356 CB ALA A 23 -0.444 0.427 -18.434 1.00 0.00 C ATOM 0 H ALA A 23 -0.296 2.694 -19.216 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.301 1.657 -16.665 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.427 -0.516 -17.888 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.477 0.716 -18.628 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.083 0.308 -19.381 1.00 0.00 H new ATOM 362 N ALA A 24 2.695 1.433 -17.978 1.00 0.00 N ATOM 363 CA ALA A 24 4.092 1.162 -17.682 1.00 0.00 C ATOM 364 C ALA A 24 4.645 2.102 -16.597 1.00 0.00 C ATOM 365 O ALA A 24 5.379 1.652 -15.721 1.00 0.00 O ATOM 366 CB ALA A 24 4.908 1.270 -18.975 1.00 0.00 C ATOM 0 H ALA A 24 2.565 1.922 -18.864 1.00 0.00 H new ATOM 0 HA ALA A 24 4.173 0.151 -17.284 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.957 1.068 -18.761 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.539 0.544 -19.700 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.808 2.275 -19.385 1.00 0.00 H new ATOM 372 N THR A 25 4.270 3.386 -16.576 1.00 0.00 N ATOM 373 CA THR A 25 4.617 4.326 -15.495 1.00 0.00 C ATOM 374 C THR A 25 3.886 3.996 -14.187 1.00 0.00 C ATOM 375 O THR A 25 4.516 3.917 -13.135 1.00 0.00 O ATOM 376 CB THR A 25 4.334 5.768 -15.927 1.00 0.00 C ATOM 377 OG1 THR A 25 4.996 6.012 -17.149 1.00 0.00 O ATOM 378 CG2 THR A 25 4.816 6.811 -14.918 1.00 0.00 C ATOM 0 H THR A 25 3.711 3.810 -17.316 1.00 0.00 H new ATOM 0 HA THR A 25 5.684 4.220 -15.301 1.00 0.00 H new ATOM 0 HB THR A 25 3.252 5.865 -16.012 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.378 6.914 -17.140 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.583 7.810 -15.288 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.315 6.652 -13.963 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.893 6.716 -14.783 1.00 0.00 H new ATOM 386 N ALA A 26 2.583 3.702 -14.227 1.00 0.00 N ATOM 387 CA ALA A 26 1.848 3.225 -13.047 1.00 0.00 C ATOM 388 C ALA A 26 2.374 1.878 -12.503 1.00 0.00 C ATOM 389 O ALA A 26 2.526 1.718 -11.292 1.00 0.00 O ATOM 390 CB ALA A 26 0.368 3.120 -13.400 1.00 0.00 C ATOM 0 H ALA A 26 2.011 3.786 -15.067 1.00 0.00 H new ATOM 0 HA ALA A 26 2.000 3.948 -12.246 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.189 2.767 -12.532 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.006 4.100 -13.697 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.239 2.418 -14.224 1.00 0.00 H new ATOM 396 N GLU A 27 2.760 0.973 -13.413 1.00 0.00 N ATOM 397 CA GLU A 27 3.484 -0.272 -13.067 1.00 0.00 C ATOM 398 C GLU A 27 4.836 0.041 -12.437 1.00 0.00 C ATOM 399 O GLU A 27 5.206 -0.589 -11.450 1.00 0.00 O ATOM 400 CB GLU A 27 3.689 -1.228 -14.257 1.00 0.00 C ATOM 401 CG GLU A 27 4.160 -2.616 -13.813 1.00 0.00 C ATOM 402 CD GLU A 27 4.615 -3.442 -15.007 1.00 0.00 C ATOM 403 OE1 GLU A 27 3.760 -3.877 -15.806 1.00 0.00 O ATOM 404 OE2 GLU A 27 5.838 -3.688 -15.112 1.00 0.00 O ATOM 0 H GLU A 27 2.582 1.078 -14.412 1.00 0.00 H new ATOM 0 HA GLU A 27 2.842 -0.785 -12.351 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.754 -1.323 -14.809 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.421 -0.800 -14.942 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.979 -2.516 -13.101 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.350 -3.131 -13.296 1.00 0.00 H new ATOM 411 N LYS A 28 5.559 1.047 -12.933 1.00 0.00 N ATOM 412 CA LYS A 28 6.831 1.475 -12.328 1.00 0.00 C ATOM 413 C LYS A 28 6.655 2.066 -10.911 1.00 0.00 C ATOM 414 O LYS A 28 7.365 1.651 -9.992 1.00 0.00 O ATOM 415 CB LYS A 28 7.518 2.444 -13.310 1.00 0.00 C ATOM 416 CG LYS A 28 8.951 2.842 -12.940 1.00 0.00 C ATOM 417 CD LYS A 28 9.517 3.759 -14.043 1.00 0.00 C ATOM 418 CE LYS A 28 10.948 4.240 -13.770 1.00 0.00 C ATOM 419 NZ LYS A 28 11.950 3.164 -13.920 1.00 0.00 N ATOM 0 H LYS A 28 5.287 1.585 -13.756 1.00 0.00 H new ATOM 0 HA LYS A 28 7.472 0.608 -12.170 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.529 1.986 -14.299 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.915 3.349 -13.384 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.963 3.357 -11.979 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.573 1.953 -12.833 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.498 3.225 -14.993 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.866 4.626 -14.152 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.190 5.054 -14.453 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.004 4.645 -12.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.898 3.543 -13.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.739 2.397 -13.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.919 2.793 -14.891 1.00 0.00 H new ATOM 433 N VAL A 29 5.678 2.955 -10.677 1.00 0.00 N ATOM 434 CA VAL A 29 5.325 3.446 -9.322 1.00 0.00 C ATOM 435 C VAL A 29 4.935 2.292 -8.389 1.00 0.00 C ATOM 436 O VAL A 29 5.501 2.150 -7.306 1.00 0.00 O ATOM 437 CB VAL A 29 4.180 4.485 -9.396 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.664 4.922 -8.016 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.635 5.755 -10.127 1.00 0.00 C ATOM 0 H VAL A 29 5.105 3.359 -11.418 1.00 0.00 H new ATOM 0 HA VAL A 29 6.211 3.928 -8.909 1.00 0.00 H new ATOM 0 HB VAL A 29 3.378 3.980 -9.934 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.863 5.651 -8.141 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.284 4.054 -7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.479 5.372 -7.449 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.811 6.468 -10.165 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.476 6.200 -9.595 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.941 5.501 -11.142 1.00 0.00 H new ATOM 449 N PHE A 30 4.020 1.420 -8.812 1.00 0.00 N ATOM 450 CA PHE A 30 3.630 0.273 -7.989 1.00 0.00 C ATOM 451 C PHE A 30 4.807 -0.674 -7.675 1.00 0.00 C ATOM 452 O PHE A 30 4.964 -1.116 -6.535 1.00 0.00 O ATOM 453 CB PHE A 30 2.497 -0.511 -8.656 1.00 0.00 C ATOM 454 CG PHE A 30 1.190 0.238 -8.887 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.684 1.148 -7.933 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.461 0.001 -10.070 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.529 1.820 -8.171 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.748 0.679 -10.306 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.244 1.581 -9.354 1.00 0.00 C ATOM 0 H PHE A 30 3.539 1.483 -9.709 1.00 0.00 H new ATOM 0 HA PHE A 30 3.285 0.683 -7.040 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.856 -0.874 -9.619 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.283 -1.387 -8.044 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.229 1.329 -7.019 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.833 -0.704 -10.798 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.910 2.520 -7.442 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.295 0.505 -11.221 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.178 2.093 -9.532 1.00 0.00 H new ATOM 469 N LYS A 31 5.680 -0.932 -8.651 1.00 0.00 N ATOM 470 CA LYS A 31 6.888 -1.732 -8.429 1.00 0.00 C ATOM 471 C LYS A 31 7.929 -1.034 -7.544 1.00 0.00 C ATOM 472 O LYS A 31 8.749 -1.720 -6.936 1.00 0.00 O ATOM 473 CB LYS A 31 7.516 -2.174 -9.756 1.00 0.00 C ATOM 474 CG LYS A 31 6.727 -3.360 -10.325 1.00 0.00 C ATOM 475 CD LYS A 31 7.335 -3.847 -11.640 1.00 0.00 C ATOM 476 CE LYS A 31 6.595 -5.111 -12.088 1.00 0.00 C ATOM 477 NZ LYS A 31 7.066 -5.581 -13.404 1.00 0.00 N ATOM 0 H LYS A 31 5.572 -0.597 -9.608 1.00 0.00 H new ATOM 0 HA LYS A 31 6.560 -2.616 -7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.512 -1.347 -10.466 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.557 -2.457 -9.602 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.718 -4.175 -9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.690 -3.066 -10.487 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.255 -3.072 -12.403 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.397 -4.057 -11.510 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.738 -5.898 -11.348 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.525 -4.909 -12.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.754 -6.562 -13.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.672 -4.974 -14.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.105 -5.539 -13.436 1.00 0.00 H new ATOM 491 N GLN A 32 7.915 0.293 -7.403 1.00 0.00 N ATOM 492 CA GLN A 32 8.732 1.018 -6.417 1.00 0.00 C ATOM 493 C GLN A 32 8.225 0.833 -4.967 1.00 0.00 C ATOM 494 O GLN A 32 9.023 0.549 -4.073 1.00 0.00 O ATOM 495 CB GLN A 32 8.767 2.503 -6.836 1.00 0.00 C ATOM 496 CG GLN A 32 9.894 2.784 -7.837 1.00 0.00 C ATOM 497 CD GLN A 32 9.800 4.181 -8.420 1.00 0.00 C ATOM 498 OE1 GLN A 32 9.422 5.143 -7.761 1.00 0.00 O ATOM 499 NE2 GLN A 32 10.142 4.337 -9.680 1.00 0.00 N ATOM 0 H GLN A 32 7.331 0.904 -7.974 1.00 0.00 H new ATOM 0 HA GLN A 32 9.742 0.607 -6.412 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.810 2.779 -7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.901 3.127 -5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.857 2.662 -7.342 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.854 2.051 -8.643 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.456 3.535 -10.226 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.093 5.260 -10.111 1.00 0.00 H new ATOM 508 N TYR A 33 6.908 0.909 -4.721 1.00 0.00 N ATOM 509 CA TYR A 33 6.284 0.614 -3.407 1.00 0.00 C ATOM 510 C TYR A 33 6.295 -0.889 -3.018 1.00 0.00 C ATOM 511 O TYR A 33 6.322 -1.238 -1.837 1.00 0.00 O ATOM 512 CB TYR A 33 4.833 1.131 -3.404 1.00 0.00 C ATOM 513 CG TYR A 33 4.680 2.623 -3.144 1.00 0.00 C ATOM 514 CD1 TYR A 33 4.995 3.566 -4.144 1.00 0.00 C ATOM 515 CD2 TYR A 33 4.184 3.072 -1.903 1.00 0.00 C ATOM 516 CE1 TYR A 33 4.808 4.941 -3.912 1.00 0.00 C ATOM 517 CE2 TYR A 33 4.013 4.449 -1.667 1.00 0.00 C ATOM 518 CZ TYR A 33 4.314 5.380 -2.675 1.00 0.00 C ATOM 519 OH TYR A 33 4.122 6.704 -2.442 1.00 0.00 O ATOM 0 H TYR A 33 6.231 1.180 -5.434 1.00 0.00 H new ATOM 0 HA TYR A 33 6.891 1.126 -2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.378 0.897 -4.367 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.271 0.586 -2.645 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.382 3.230 -5.095 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.935 2.358 -1.132 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.044 5.657 -4.685 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.650 4.791 -0.709 1.00 0.00 H new ATOM 0 HH TYR A 33 4.130 7.190 -3.293 1.00 0.00 H new ATOM 529 N PHE A 34 6.293 -1.750 -4.035 1.00 0.00 N ATOM 530 CA PHE A 34 6.123 -3.212 -3.909 1.00 0.00 C ATOM 531 C PHE A 34 7.288 -4.049 -4.486 1.00 0.00 C ATOM 532 O PHE A 34 7.094 -5.171 -4.961 1.00 0.00 O ATOM 533 CB PHE A 34 4.721 -3.641 -4.376 1.00 0.00 C ATOM 534 CG PHE A 34 3.580 -2.923 -3.664 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.426 -3.046 -2.268 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.679 -2.119 -4.391 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.392 -2.360 -1.605 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.646 -1.432 -3.727 1.00 0.00 C ATOM 539 CZ PHE A 34 1.502 -1.552 -2.334 1.00 0.00 C ATOM 0 H PHE A 34 6.413 -1.448 -5.002 1.00 0.00 H new ATOM 0 HA PHE A 34 6.182 -3.448 -2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.636 -3.461 -5.448 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.612 -4.715 -4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.105 -3.670 -1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.782 -2.030 -5.462 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.282 -2.454 -0.535 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.963 -0.812 -4.288 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.709 -1.024 -1.825 1.00 0.00 H new ATOM 549 N ASN A 35 8.512 -3.511 -4.434 1.00 0.00 N ATOM 550 CA ASN A 35 9.718 -4.137 -4.980 1.00 0.00 C ATOM 551 C ASN A 35 10.138 -5.448 -4.264 1.00 0.00 C ATOM 552 O ASN A 35 10.200 -6.509 -4.892 1.00 0.00 O ATOM 553 CB ASN A 35 10.854 -3.092 -4.953 1.00 0.00 C ATOM 554 CG ASN A 35 11.808 -3.307 -6.111 1.00 0.00 C ATOM 555 OD1 ASN A 35 12.862 -3.917 -5.983 1.00 0.00 O ATOM 556 ND2 ASN A 35 11.439 -2.812 -7.274 1.00 0.00 N ATOM 0 H ASN A 35 8.694 -2.606 -4.000 1.00 0.00 H new ATOM 0 HA ASN A 35 9.499 -4.448 -6.001 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.433 -2.088 -5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.397 -3.162 -4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.036 -2.933 -8.092 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.556 -2.307 -7.357 1.00 0.00 H new ATOM 563 N ASP A 36 10.432 -5.364 -2.955 1.00 0.00 N ATOM 564 CA ASP A 36 11.029 -6.441 -2.123 1.00 0.00 C ATOM 565 C ASP A 36 10.952 -6.165 -0.604 1.00 0.00 C ATOM 566 O ASP A 36 11.737 -6.692 0.185 1.00 0.00 O ATOM 567 CB ASP A 36 12.500 -6.632 -2.552 1.00 0.00 C ATOM 568 CG ASP A 36 13.196 -7.902 -2.007 1.00 0.00 C ATOM 569 OD1 ASP A 36 12.612 -9.010 -2.095 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.359 -7.798 -1.541 1.00 0.00 O ATOM 0 H ASP A 36 10.256 -4.514 -2.420 1.00 0.00 H new ATOM 0 HA ASP A 36 10.447 -7.347 -2.291 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.542 -6.655 -3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.070 -5.760 -2.230 1.00 0.00 H new ATOM 575 N ASN A 37 10.013 -5.313 -0.179 1.00 0.00 N ATOM 576 CA ASN A 37 9.769 -5.056 1.255 1.00 0.00 C ATOM 577 C ASN A 37 9.321 -6.344 1.997 1.00 0.00 C ATOM 578 O ASN A 37 9.645 -6.571 3.166 1.00 0.00 O ATOM 579 CB ASN A 37 8.750 -3.910 1.388 1.00 0.00 C ATOM 580 CG ASN A 37 9.302 -2.594 0.855 1.00 0.00 C ATOM 581 OD1 ASN A 37 10.411 -2.182 1.176 1.00 0.00 O ATOM 582 ND2 ASN A 37 8.568 -1.904 0.006 1.00 0.00 N ATOM 0 H ASN A 37 9.405 -4.785 -0.805 1.00 0.00 H new ATOM 0 HA ASN A 37 10.698 -4.750 1.736 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.840 -4.168 0.846 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.473 -3.790 2.435 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.923 -1.030 -0.382 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.645 -2.244 -0.263 1.00 0.00 H new ATOM 589 N GLY A 38 8.610 -7.198 1.256 1.00 0.00 N ATOM 590 CA GLY A 38 8.180 -8.536 1.698 1.00 0.00 C ATOM 591 C GLY A 38 7.373 -9.384 0.711 1.00 0.00 C ATOM 592 O GLY A 38 7.328 -10.606 0.863 1.00 0.00 O ATOM 0 H GLY A 38 8.308 -6.977 0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.070 -9.100 1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.584 -8.415 2.603 1.00 0.00 H new ATOM 596 N VAL A 39 6.736 -8.770 -0.293 1.00 0.00 N ATOM 597 CA VAL A 39 5.826 -9.478 -1.217 1.00 0.00 C ATOM 598 C VAL A 39 6.588 -10.403 -2.184 1.00 0.00 C ATOM 599 O VAL A 39 6.406 -11.619 -2.137 1.00 0.00 O ATOM 600 CB VAL A 39 4.921 -8.508 -2.012 1.00 0.00 C ATOM 601 CG1 VAL A 39 3.734 -9.265 -2.619 1.00 0.00 C ATOM 602 CG2 VAL A 39 4.333 -7.384 -1.146 1.00 0.00 C ATOM 0 H VAL A 39 6.832 -7.774 -0.492 1.00 0.00 H new ATOM 0 HA VAL A 39 5.185 -10.095 -0.587 1.00 0.00 H new ATOM 0 HB VAL A 39 5.563 -8.071 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.105 -8.570 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.102 -10.040 -3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.149 -9.724 -1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.708 -6.738 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.730 -7.817 -0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.143 -6.798 -0.712 1.00 0.00 H new ATOM 612 N ASP A 40 7.464 -9.849 -3.042 1.00 0.00 N ATOM 613 CA ASP A 40 8.156 -10.553 -4.153 1.00 0.00 C ATOM 614 C ASP A 40 7.253 -11.569 -4.908 1.00 0.00 C ATOM 615 O ASP A 40 7.655 -12.693 -5.221 1.00 0.00 O ATOM 616 CB ASP A 40 9.470 -11.166 -3.615 1.00 0.00 C ATOM 617 CG ASP A 40 10.416 -11.726 -4.704 1.00 0.00 C ATOM 618 OD1 ASP A 40 10.581 -11.082 -5.771 1.00 0.00 O ATOM 619 OD2 ASP A 40 11.031 -12.797 -4.475 1.00 0.00 O ATOM 0 H ASP A 40 7.723 -8.864 -2.984 1.00 0.00 H new ATOM 0 HA ASP A 40 8.405 -9.824 -4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.004 -10.405 -3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.223 -11.969 -2.920 1.00 0.00 H new ATOM 624 N GLY A 41 6.000 -11.170 -5.155 1.00 0.00 N ATOM 625 CA GLY A 41 4.910 -12.025 -5.657 1.00 0.00 C ATOM 626 C GLY A 41 4.636 -11.993 -7.168 1.00 0.00 C ATOM 627 O GLY A 41 5.395 -11.419 -7.953 1.00 0.00 O ATOM 0 H GLY A 41 5.703 -10.206 -5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.130 -13.055 -5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.993 -11.742 -5.141 1.00 0.00 H new ATOM 631 N GLU A 42 3.532 -12.634 -7.573 1.00 0.00 N ATOM 632 CA GLU A 42 3.055 -12.761 -8.971 1.00 0.00 C ATOM 633 C GLU A 42 2.161 -11.592 -9.397 1.00 0.00 C ATOM 634 O GLU A 42 1.085 -11.392 -8.834 1.00 0.00 O ATOM 635 CB GLU A 42 2.280 -14.080 -9.142 1.00 0.00 C ATOM 636 CG GLU A 42 1.804 -14.308 -10.578 1.00 0.00 C ATOM 637 CD GLU A 42 1.113 -15.661 -10.689 1.00 0.00 C ATOM 638 OE1 GLU A 42 -0.096 -15.739 -10.378 1.00 0.00 O ATOM 639 OE2 GLU A 42 1.779 -16.637 -11.099 1.00 0.00 O ATOM 0 H GLU A 42 2.913 -13.102 -6.911 1.00 0.00 H new ATOM 0 HA GLU A 42 3.938 -12.752 -9.610 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.916 -14.911 -8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.418 -14.079 -8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.117 -13.514 -10.873 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.652 -14.266 -11.262 1.00 0.00 H new ATOM 646 N TRP A 43 2.598 -10.844 -10.410 1.00 0.00 N ATOM 647 CA TRP A 43 1.875 -9.701 -10.989 1.00 0.00 C ATOM 648 C TRP A 43 0.911 -10.096 -12.135 1.00 0.00 C ATOM 649 O TRP A 43 1.200 -10.981 -12.946 1.00 0.00 O ATOM 650 CB TRP A 43 2.902 -8.661 -11.469 1.00 0.00 C ATOM 651 CG TRP A 43 3.691 -7.997 -10.376 1.00 0.00 C ATOM 652 CD1 TRP A 43 4.636 -8.589 -9.610 1.00 0.00 C ATOM 653 CD2 TRP A 43 3.600 -6.622 -9.885 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.096 -7.706 -8.658 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.482 -6.480 -8.769 1.00 0.00 C ATOM 656 CE3 TRP A 43 2.855 -5.482 -10.260 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.592 -5.287 -8.042 1.00 0.00 C ATOM 658 CZ3 TRP A 43 2.970 -4.272 -9.547 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.823 -4.179 -8.433 1.00 0.00 C ATOM 0 H TRP A 43 3.493 -11.019 -10.868 1.00 0.00 H new ATOM 0 HA TRP A 43 1.240 -9.280 -10.210 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.597 -9.148 -12.154 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.379 -7.892 -12.038 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.980 -9.606 -9.728 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.803 -7.933 -7.959 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.187 -5.539 -11.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.258 -5.221 -7.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.399 -3.410 -9.858 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.887 -3.255 -7.878 1.00 0.00 H new ATOM 670 N THR A 44 -0.238 -9.417 -12.206 1.00 0.00 N ATOM 671 CA THR A 44 -1.280 -9.510 -13.259 1.00 0.00 C ATOM 672 C THR A 44 -1.816 -8.102 -13.608 1.00 0.00 C ATOM 673 O THR A 44 -1.743 -7.213 -12.755 1.00 0.00 O ATOM 674 CB THR A 44 -2.454 -10.393 -12.770 1.00 0.00 C ATOM 675 OG1 THR A 44 -1.999 -11.598 -12.190 1.00 0.00 O ATOM 676 CG2 THR A 44 -3.448 -10.785 -13.866 1.00 0.00 C ATOM 0 H THR A 44 -0.491 -8.740 -11.486 1.00 0.00 H new ATOM 0 HA THR A 44 -0.833 -9.957 -14.147 1.00 0.00 H new ATOM 0 HB THR A 44 -2.960 -9.760 -12.041 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.767 -12.128 -11.892 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.237 -11.402 -13.437 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.886 -9.885 -14.299 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.930 -11.347 -14.643 1.00 0.00 H new ATOM 684 N TYR A 45 -2.391 -7.877 -14.803 1.00 0.00 N ATOM 685 CA TYR A 45 -3.030 -6.603 -15.209 1.00 0.00 C ATOM 686 C TYR A 45 -4.324 -6.780 -16.038 1.00 0.00 C ATOM 687 O TYR A 45 -4.403 -7.641 -16.920 1.00 0.00 O ATOM 688 CB TYR A 45 -2.023 -5.773 -16.026 1.00 0.00 C ATOM 689 CG TYR A 45 -2.587 -4.509 -16.664 1.00 0.00 C ATOM 690 CD1 TYR A 45 -2.893 -3.389 -15.868 1.00 0.00 C ATOM 691 CD2 TYR A 45 -2.819 -4.449 -18.054 1.00 0.00 C ATOM 692 CE1 TYR A 45 -3.400 -2.214 -16.455 1.00 0.00 C ATOM 693 CE2 TYR A 45 -3.332 -3.274 -18.639 1.00 0.00 C ATOM 694 CZ TYR A 45 -3.620 -2.154 -17.840 1.00 0.00 C ATOM 695 OH TYR A 45 -4.107 -1.009 -18.398 1.00 0.00 O ATOM 0 H TYR A 45 -2.427 -8.589 -15.533 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.319 -6.097 -14.288 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.195 -5.493 -15.375 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.610 -6.404 -16.813 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.738 -3.431 -14.800 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -2.603 -5.307 -18.673 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.620 -1.356 -15.837 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.504 -3.234 -19.704 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.537 -1.219 -19.253 1.00 0.00 H new ATOM 705 N ASP A 46 -5.316 -5.921 -15.776 1.00 0.00 N ATOM 706 CA ASP A 46 -6.604 -5.756 -16.471 1.00 0.00 C ATOM 707 C ASP A 46 -6.756 -4.363 -17.096 1.00 0.00 C ATOM 708 O ASP A 46 -6.770 -3.358 -16.378 1.00 0.00 O ATOM 709 CB ASP A 46 -7.734 -5.925 -15.445 1.00 0.00 C ATOM 710 CG ASP A 46 -9.121 -5.882 -16.092 1.00 0.00 C ATOM 711 OD1 ASP A 46 -9.634 -4.753 -16.238 1.00 0.00 O ATOM 712 OD2 ASP A 46 -9.678 -6.950 -16.439 1.00 0.00 O ATOM 0 H ASP A 46 -5.233 -5.262 -15.002 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.647 -6.500 -17.266 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.609 -6.874 -14.923 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.661 -5.137 -14.695 1.00 0.00 H new ATOM 717 N ASP A 47 -6.902 -4.267 -18.422 1.00 0.00 N ATOM 718 CA ASP A 47 -6.997 -2.988 -19.143 1.00 0.00 C ATOM 719 C ASP A 47 -8.396 -2.371 -19.149 1.00 0.00 C ATOM 720 O ASP A 47 -8.529 -1.154 -19.207 1.00 0.00 O ATOM 721 CB ASP A 47 -6.514 -3.206 -20.590 1.00 0.00 C ATOM 722 CG ASP A 47 -6.247 -1.881 -21.329 1.00 0.00 C ATOM 723 OD1 ASP A 47 -5.420 -1.078 -20.832 1.00 0.00 O ATOM 724 OD2 ASP A 47 -6.868 -1.643 -22.392 1.00 0.00 O ATOM 0 H ASP A 47 -6.958 -5.082 -19.033 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.367 -2.275 -18.611 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.602 -3.802 -20.579 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.263 -3.779 -21.137 1.00 0.00 H new ATOM 729 N ALA A 48 -9.432 -3.204 -19.065 1.00 0.00 N ATOM 730 CA ALA A 48 -10.837 -2.765 -18.979 1.00 0.00 C ATOM 731 C ALA A 48 -11.105 -1.835 -17.779 1.00 0.00 C ATOM 732 O ALA A 48 -12.048 -1.039 -17.780 1.00 0.00 O ATOM 733 CB ALA A 48 -11.748 -3.990 -18.854 1.00 0.00 C ATOM 0 H ALA A 48 -9.325 -4.218 -19.054 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.046 -2.204 -19.890 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.787 -3.666 -18.790 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.620 -4.629 -19.728 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.486 -4.548 -17.955 1.00 0.00 H new ATOM 739 N THR A 49 -10.262 -1.968 -16.757 1.00 0.00 N ATOM 740 CA THR A 49 -10.389 -1.305 -15.457 1.00 0.00 C ATOM 741 C THR A 49 -9.114 -0.569 -15.011 1.00 0.00 C ATOM 742 O THR A 49 -9.141 0.163 -14.021 1.00 0.00 O ATOM 743 CB THR A 49 -10.834 -2.325 -14.398 1.00 0.00 C ATOM 744 OG1 THR A 49 -9.796 -3.226 -14.099 1.00 0.00 O ATOM 745 CG2 THR A 49 -12.052 -3.148 -14.822 1.00 0.00 C ATOM 0 H THR A 49 -9.437 -2.565 -16.813 1.00 0.00 H new ATOM 0 HA THR A 49 -11.148 -0.531 -15.568 1.00 0.00 H new ATOM 0 HB THR A 49 -11.102 -1.729 -13.525 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.528 -3.698 -14.915 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.312 -3.848 -14.028 1.00 0.00 H new ATOM 0 HG22 THR A 49 -12.894 -2.482 -15.009 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.818 -3.701 -15.732 1.00 0.00 H new ATOM 753 N LYS A 50 -8.003 -0.711 -15.757 1.00 0.00 N ATOM 754 CA LYS A 50 -6.687 -0.117 -15.458 1.00 0.00 C ATOM 755 C LYS A 50 -6.189 -0.553 -14.072 1.00 0.00 C ATOM 756 O LYS A 50 -5.690 0.229 -13.259 1.00 0.00 O ATOM 757 CB LYS A 50 -6.648 1.407 -15.697 1.00 0.00 C ATOM 758 CG LYS A 50 -6.663 1.800 -17.181 1.00 0.00 C ATOM 759 CD LYS A 50 -8.073 1.739 -17.778 1.00 0.00 C ATOM 760 CE LYS A 50 -8.131 2.252 -19.223 1.00 0.00 C ATOM 761 NZ LYS A 50 -7.458 1.332 -20.166 1.00 0.00 N ATOM 0 H LYS A 50 -7.997 -1.262 -16.615 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.970 -0.514 -16.177 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.503 1.866 -15.200 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.751 1.816 -15.231 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.266 2.809 -17.293 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.004 1.134 -17.739 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.431 0.710 -17.748 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.750 2.330 -17.160 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.172 2.379 -19.521 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.662 3.234 -19.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.745 1.561 -21.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.427 1.435 -20.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.728 0.352 -19.947 1.00 0.00 H new ATOM 775 N THR A 51 -6.358 -1.847 -13.826 1.00 0.00 N ATOM 776 CA THR A 51 -6.059 -2.467 -12.519 1.00 0.00 C ATOM 777 C THR A 51 -4.943 -3.509 -12.607 1.00 0.00 C ATOM 778 O THR A 51 -4.907 -4.333 -13.516 1.00 0.00 O ATOM 779 CB THR A 51 -7.307 -3.099 -11.876 1.00 0.00 C ATOM 780 OG1 THR A 51 -8.408 -2.221 -11.882 1.00 0.00 O ATOM 781 CG2 THR A 51 -7.088 -3.513 -10.417 1.00 0.00 C ATOM 0 H THR A 51 -6.707 -2.506 -14.522 1.00 0.00 H new ATOM 0 HA THR A 51 -5.715 -1.652 -11.882 1.00 0.00 H new ATOM 0 HB THR A 51 -7.505 -3.980 -12.487 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.013 -2.460 -12.615 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.004 -3.951 -10.022 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.283 -4.246 -10.364 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.821 -2.637 -9.826 1.00 0.00 H new ATOM 789 N PHE A 52 -4.052 -3.502 -11.622 1.00 0.00 N ATOM 790 CA PHE A 52 -2.954 -4.437 -11.388 1.00 0.00 C ATOM 791 C PHE A 52 -3.266 -5.279 -10.138 1.00 0.00 C ATOM 792 O PHE A 52 -3.902 -4.788 -9.203 1.00 0.00 O ATOM 793 CB PHE A 52 -1.633 -3.677 -11.213 1.00 0.00 C ATOM 794 CG PHE A 52 -1.072 -3.076 -12.486 1.00 0.00 C ATOM 795 CD1 PHE A 52 -1.472 -1.792 -12.906 1.00 0.00 C ATOM 796 CD2 PHE A 52 -0.141 -3.804 -13.252 1.00 0.00 C ATOM 797 CE1 PHE A 52 -0.938 -1.236 -14.083 1.00 0.00 C ATOM 798 CE2 PHE A 52 0.381 -3.254 -14.434 1.00 0.00 C ATOM 799 CZ PHE A 52 -0.019 -1.973 -14.851 1.00 0.00 C ATOM 0 H PHE A 52 -4.081 -2.779 -10.903 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.849 -5.098 -12.249 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.783 -2.879 -10.486 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.892 -4.357 -10.792 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.190 -1.234 -12.323 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.172 -4.786 -12.930 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.233 -0.245 -14.396 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.091 -3.816 -15.023 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.380 -1.554 -15.763 1.00 0.00 H new ATOM 809 N THR A 53 -2.850 -6.543 -10.122 1.00 0.00 N ATOM 810 CA THR A 53 -3.095 -7.466 -8.998 1.00 0.00 C ATOM 811 C THR A 53 -1.824 -8.229 -8.615 1.00 0.00 C ATOM 812 O THR A 53 -1.234 -8.922 -9.446 1.00 0.00 O ATOM 813 CB THR A 53 -4.225 -8.466 -9.320 1.00 0.00 C ATOM 814 OG1 THR A 53 -5.404 -7.800 -9.723 1.00 0.00 O ATOM 815 CG2 THR A 53 -4.596 -9.337 -8.117 1.00 0.00 C ATOM 0 H THR A 53 -2.329 -6.966 -10.890 1.00 0.00 H new ATOM 0 HA THR A 53 -3.405 -6.854 -8.151 1.00 0.00 H new ATOM 0 HB THR A 53 -3.835 -9.090 -10.124 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.101 -8.460 -9.922 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.396 -10.023 -8.397 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.724 -9.907 -7.798 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.933 -8.702 -7.298 1.00 0.00 H new ATOM 823 N VAL A 54 -1.409 -8.085 -7.353 1.00 0.00 N ATOM 824 CA VAL A 54 -0.200 -8.706 -6.768 1.00 0.00 C ATOM 825 C VAL A 54 -0.598 -9.766 -5.734 1.00 0.00 C ATOM 826 O VAL A 54 -1.438 -9.510 -4.871 1.00 0.00 O ATOM 827 CB VAL A 54 0.754 -7.663 -6.153 1.00 0.00 C ATOM 828 CG1 VAL A 54 2.112 -8.302 -5.836 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.023 -6.506 -7.123 1.00 0.00 C ATOM 0 H VAL A 54 -1.919 -7.513 -6.680 1.00 0.00 H new ATOM 0 HA VAL A 54 0.347 -9.190 -7.578 1.00 0.00 H new ATOM 0 HB VAL A 54 0.270 -7.292 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.774 -7.553 -5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.973 -9.118 -5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.555 -8.690 -6.753 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.699 -5.790 -6.656 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.478 -6.894 -8.035 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.083 -6.011 -7.368 1.00 0.00 H new ATOM 839 N THR A 55 -0.006 -10.954 -5.858 1.00 0.00 N ATOM 840 CA THR A 55 -0.394 -12.173 -5.114 1.00 0.00 C ATOM 841 C THR A 55 0.768 -12.985 -4.514 1.00 0.00 C ATOM 842 O THR A 55 1.811 -13.147 -5.157 1.00 0.00 O ATOM 843 CB THR A 55 -1.362 -13.040 -5.949 1.00 0.00 C ATOM 844 OG1 THR A 55 -2.495 -12.287 -6.335 1.00 0.00 O ATOM 845 CG2 THR A 55 -1.911 -14.259 -5.203 1.00 0.00 C ATOM 0 H THR A 55 0.778 -11.109 -6.492 1.00 0.00 H new ATOM 0 HA THR A 55 -0.922 -11.815 -4.230 1.00 0.00 H new ATOM 0 HB THR A 55 -0.763 -13.374 -6.796 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.097 -12.850 -6.864 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.582 -14.815 -5.858 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.085 -14.902 -4.900 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.457 -13.929 -4.319 1.00 0.00 H new ATOM 853 N GLU A 56 0.572 -13.500 -3.285 1.00 0.00 N ATOM 854 CA GLU A 56 1.428 -14.476 -2.575 1.00 0.00 C ATOM 855 C GLU A 56 0.578 -15.479 -1.795 1.00 0.00 C ATOM 856 O GLU A 56 0.552 -16.659 -2.198 1.00 0.00 O ATOM 857 CB GLU A 56 2.415 -13.787 -1.618 1.00 0.00 C ATOM 858 CG GLU A 56 3.780 -13.533 -2.244 1.00 0.00 C ATOM 859 CD GLU A 56 4.547 -14.831 -2.475 1.00 0.00 C ATOM 860 OE1 GLU A 56 5.011 -15.430 -1.477 1.00 0.00 O ATOM 861 OE2 GLU A 56 4.690 -15.249 -3.645 1.00 0.00 O ATOM 862 OXT GLU A 56 -0.039 -15.096 -0.777 1.00 0.00 O ATOM 0 H GLU A 56 -0.237 -13.231 -2.725 1.00 0.00 H new ATOM 0 HA GLU A 56 2.003 -15.003 -3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.991 -12.838 -1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.540 -14.405 -0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.653 -13.012 -3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.361 -12.878 -1.595 1.00 0.00 H new TER 869 GLU A 56 ATOM 870 N MET B 1 -4.437 -9.420 16.738 1.00 0.00 N ATOM 871 CA MET B 1 -5.420 -8.331 16.527 1.00 0.00 C ATOM 872 C MET B 1 -5.213 -7.706 15.151 1.00 0.00 C ATOM 873 O MET B 1 -4.077 -7.477 14.742 1.00 0.00 O ATOM 874 CB MET B 1 -5.345 -7.280 17.652 1.00 0.00 C ATOM 875 CG MET B 1 -6.390 -6.164 17.513 1.00 0.00 C ATOM 876 SD MET B 1 -8.106 -6.751 17.382 1.00 0.00 S ATOM 877 CE MET B 1 -8.959 -5.174 17.116 1.00 0.00 C ATOM 0 H1 MET B 1 -4.549 -9.808 17.696 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.597 -10.173 16.038 1.00 0.00 H new ATOM 0 H3 MET B 1 -3.474 -9.044 16.628 1.00 0.00 H new ATOM 0 HA MET B 1 -6.424 -8.754 16.562 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.480 -7.777 18.613 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.349 -6.837 17.659 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.311 -5.500 18.374 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.154 -5.570 16.630 1.00 0.00 H new ATOM 0 HE1 MET B 1 -10.025 -5.356 16.979 1.00 0.00 H new ATOM 0 HE2 MET B 1 -8.809 -4.529 17.982 1.00 0.00 H new ATOM 0 HE3 MET B 1 -8.556 -4.688 16.227 1.00 0.00 H new ATOM 889 N GLN B 2 -6.302 -7.424 14.431 1.00 0.00 N ATOM 890 CA GLN B 2 -6.269 -6.723 13.135 1.00 0.00 C ATOM 891 C GLN B 2 -5.956 -5.222 13.313 1.00 0.00 C ATOM 892 O GLN B 2 -6.574 -4.547 14.142 1.00 0.00 O ATOM 893 CB GLN B 2 -7.627 -6.885 12.425 1.00 0.00 C ATOM 894 CG GLN B 2 -7.567 -6.587 10.918 1.00 0.00 C ATOM 895 CD GLN B 2 -7.279 -7.831 10.106 1.00 0.00 C ATOM 896 OE1 GLN B 2 -8.180 -8.567 9.722 1.00 0.00 O ATOM 897 NE2 GLN B 2 -6.028 -8.104 9.814 1.00 0.00 N ATOM 0 H GLN B 2 -7.244 -7.677 14.731 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.477 -7.166 12.531 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -7.987 -7.903 12.572 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.354 -6.220 12.891 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.514 -6.155 10.596 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -6.795 -5.842 10.726 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -5.283 -7.487 10.137 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.802 -8.933 9.264 1.00 0.00 H new ATOM 906 N TYR B 3 -5.033 -4.697 12.508 1.00 0.00 N ATOM 907 CA TYR B 3 -4.713 -3.267 12.378 1.00 0.00 C ATOM 908 C TYR B 3 -4.823 -2.784 10.920 1.00 0.00 C ATOM 909 O TYR B 3 -4.704 -3.584 9.988 1.00 0.00 O ATOM 910 CB TYR B 3 -3.308 -2.999 12.935 1.00 0.00 C ATOM 911 CG TYR B 3 -3.172 -3.229 14.430 1.00 0.00 C ATOM 912 CD1 TYR B 3 -2.857 -4.508 14.926 1.00 0.00 C ATOM 913 CD2 TYR B 3 -3.363 -2.163 15.329 1.00 0.00 C ATOM 914 CE1 TYR B 3 -2.770 -4.731 16.312 1.00 0.00 C ATOM 915 CE2 TYR B 3 -3.289 -2.391 16.715 1.00 0.00 C ATOM 916 CZ TYR B 3 -3.012 -3.676 17.206 1.00 0.00 C ATOM 917 OH TYR B 3 -2.980 -3.894 18.550 1.00 0.00 O ATOM 0 H TYR B 3 -4.459 -5.280 11.899 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.444 -2.702 12.956 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.596 -3.640 12.415 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.032 -1.968 12.712 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.681 -5.322 14.239 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -3.566 -1.170 14.955 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.518 -5.712 16.688 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -3.446 -1.574 17.404 1.00 0.00 H new ATOM 0 HH TYR B 3 -3.168 -3.056 19.022 1.00 0.00 H new ATOM 927 N LYS B 4 -4.995 -1.477 10.710 1.00 0.00 N ATOM 928 CA LYS B 4 -5.246 -0.862 9.394 1.00 0.00 C ATOM 929 C LYS B 4 -4.368 0.387 9.145 1.00 0.00 C ATOM 930 O LYS B 4 -3.987 1.084 10.085 1.00 0.00 O ATOM 931 CB LYS B 4 -6.751 -0.530 9.329 1.00 0.00 C ATOM 932 CG LYS B 4 -7.215 0.032 7.976 1.00 0.00 C ATOM 933 CD LYS B 4 -8.714 0.351 7.960 1.00 0.00 C ATOM 934 CE LYS B 4 -9.049 0.956 6.594 1.00 0.00 C ATOM 935 NZ LYS B 4 -10.467 1.346 6.475 1.00 0.00 N ATOM 0 H LYS B 4 -4.964 -0.795 11.467 1.00 0.00 H new ATOM 0 HA LYS B 4 -4.973 -1.558 8.601 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.320 -1.433 9.549 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -6.986 0.193 10.110 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -6.651 0.937 7.749 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -6.991 -0.689 7.190 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.299 -0.553 8.131 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -8.965 1.049 8.759 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.421 1.831 6.425 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.808 0.235 5.813 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.613 1.856 5.580 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -11.064 0.494 6.490 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.725 1.963 7.271 1.00 0.00 H new ATOM 949 N LEU B 5 -4.101 0.704 7.875 1.00 0.00 N ATOM 950 CA LEU B 5 -3.324 1.852 7.388 1.00 0.00 C ATOM 951 C LEU B 5 -4.102 2.575 6.271 1.00 0.00 C ATOM 952 O LEU B 5 -4.577 1.932 5.334 1.00 0.00 O ATOM 953 CB LEU B 5 -1.972 1.307 6.881 1.00 0.00 C ATOM 954 CG LEU B 5 -0.803 2.267 6.590 1.00 0.00 C ATOM 955 CD1 LEU B 5 -0.991 3.129 5.343 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.474 3.172 7.774 1.00 0.00 C ATOM 0 H LEU B 5 -4.444 0.128 7.106 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.151 2.581 8.179 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.620 0.585 7.617 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.171 0.755 5.963 1.00 0.00 H new ATOM 0 HG LEU B 5 0.035 1.595 6.403 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.123 3.775 5.213 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.100 2.486 4.469 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -1.885 3.742 5.456 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.357 3.827 7.512 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.346 3.776 8.024 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.197 2.561 8.633 1.00 0.00 H new ATOM 968 N ILE B 6 -4.219 3.900 6.349 1.00 0.00 N ATOM 969 CA ILE B 6 -4.828 4.775 5.329 1.00 0.00 C ATOM 970 C ILE B 6 -3.739 5.688 4.760 1.00 0.00 C ATOM 971 O ILE B 6 -3.059 6.381 5.523 1.00 0.00 O ATOM 972 CB ILE B 6 -5.965 5.631 5.945 1.00 0.00 C ATOM 973 CG1 ILE B 6 -6.993 4.739 6.675 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.618 6.515 4.861 1.00 0.00 C ATOM 975 CD1 ILE B 6 -8.155 5.497 7.325 1.00 0.00 C ATOM 0 H ILE B 6 -3.880 4.422 7.157 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.260 4.162 4.538 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.540 6.298 6.695 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.399 4.020 5.963 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.475 4.167 7.445 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.414 7.110 5.308 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.867 7.178 4.431 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -7.034 5.882 4.077 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.824 4.788 7.813 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.765 6.196 8.065 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.704 6.047 6.560 1.00 0.00 H new ATOM 987 N LEU B 7 -3.550 5.726 3.441 1.00 0.00 N ATOM 988 CA LEU B 7 -2.482 6.453 2.761 1.00 0.00 C ATOM 989 C LEU B 7 -3.075 7.630 1.958 1.00 0.00 C ATOM 990 O LEU B 7 -3.907 7.431 1.068 1.00 0.00 O ATOM 991 CB LEU B 7 -1.755 5.442 1.850 1.00 0.00 C ATOM 992 CG LEU B 7 -0.526 6.014 1.123 1.00 0.00 C ATOM 993 CD1 LEU B 7 0.594 6.370 2.101 1.00 0.00 C ATOM 994 CD2 LEU B 7 0.007 4.985 0.129 1.00 0.00 C ATOM 0 H LEU B 7 -4.162 5.231 2.793 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.774 6.882 3.470 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.442 4.589 2.451 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -2.460 5.067 1.108 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.842 6.921 0.608 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.445 6.771 1.550 1.00 0.00 H new ATOM 0 HD12 LEU B 7 0.235 7.118 2.808 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.902 5.476 2.643 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.878 5.392 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.292 4.078 0.662 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.767 4.749 -0.601 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.655 8.845 2.301 1.00 0.00 N ATOM 1007 CA ASN B 8 -3.001 10.081 1.603 1.00 0.00 C ATOM 1008 C ASN B 8 -1.711 10.751 1.088 1.00 0.00 C ATOM 1009 O ASN B 8 -0.783 11.016 1.857 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.814 11.019 2.509 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.876 10.344 3.355 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -6.055 10.307 3.024 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -4.466 9.834 4.494 1.00 0.00 N ATOM 0 H ASN B 8 -2.042 9.002 3.101 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.636 9.849 0.748 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -3.126 11.545 3.171 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.295 11.773 1.885 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -5.135 9.394 5.126 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.479 9.878 4.746 1.00 0.00 H new ATOM 1020 N GLY B 9 -1.642 11.017 -0.213 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.438 11.558 -0.860 1.00 0.00 C ATOM 1022 C GLY B 9 -0.554 11.819 -2.364 1.00 0.00 C ATOM 1023 O GLY B 9 -1.558 11.505 -3.009 1.00 0.00 O ATOM 0 H GLY B 9 -2.419 10.865 -0.856 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.172 12.493 -0.367 1.00 0.00 H new ATOM 0 HA3 GLY B 9 0.385 10.864 -0.693 1.00 0.00 H new ATOM 1027 N LYS B 10 0.484 12.433 -2.920 1.00 0.00 N ATOM 1028 CA LYS B 10 0.543 12.891 -4.313 1.00 0.00 C ATOM 1029 C LYS B 10 0.954 11.784 -5.308 1.00 0.00 C ATOM 1030 O LYS B 10 0.361 11.673 -6.384 1.00 0.00 O ATOM 1031 CB LYS B 10 1.518 14.081 -4.400 1.00 0.00 C ATOM 1032 CG LYS B 10 1.134 15.293 -3.525 1.00 0.00 C ATOM 1033 CD LYS B 10 -0.190 15.951 -3.948 1.00 0.00 C ATOM 1034 CE LYS B 10 -0.432 17.223 -3.125 1.00 0.00 C ATOM 1035 NZ LYS B 10 -1.690 17.895 -3.508 1.00 0.00 N ATOM 0 H LYS B 10 1.338 12.635 -2.401 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.463 13.192 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS B 10 2.512 13.741 -4.110 1.00 0.00 H new ATOM 0 HB3 LYS B 10 1.582 14.405 -5.439 1.00 0.00 H new ATOM 0 HG2 LYS B 10 1.057 14.973 -2.486 1.00 0.00 H new ATOM 0 HG3 LYS B 10 1.932 16.034 -3.572 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -0.161 16.195 -5.010 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -1.015 15.253 -3.804 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -0.464 16.969 -2.065 1.00 0.00 H new ATOM 0 HE3 LYS B 10 0.403 17.910 -3.264 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -1.817 18.750 -2.929 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -1.650 18.160 -4.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -2.490 17.249 -3.352 1.00 0.00 H new ATOM 1049 N THR B 11 1.929 10.935 -4.959 1.00 0.00 N ATOM 1050 CA THR B 11 2.389 9.817 -5.813 1.00 0.00 C ATOM 1051 C THR B 11 1.509 8.559 -5.703 1.00 0.00 C ATOM 1052 O THR B 11 1.352 7.810 -6.672 1.00 0.00 O ATOM 1053 CB THR B 11 3.830 9.402 -5.462 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.958 9.023 -4.109 1.00 0.00 O ATOM 1055 CG2 THR B 11 4.854 10.502 -5.742 1.00 0.00 C ATOM 0 H THR B 11 2.428 10.999 -4.072 1.00 0.00 H new ATOM 0 HA THR B 11 2.327 10.202 -6.831 1.00 0.00 H new ATOM 0 HB THR B 11 4.037 8.550 -6.110 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.518 9.675 -3.638 1.00 0.00 H new ATOM 0 HG21 THR B 11 5.850 10.149 -5.474 1.00 0.00 H new ATOM 0 HG22 THR B 11 4.832 10.758 -6.801 1.00 0.00 H new ATOM 0 HG23 THR B 11 4.611 11.385 -5.150 1.00 0.00 H new ATOM 1063 N LEU B 12 0.912 8.334 -4.528 1.00 0.00 N ATOM 1064 CA LEU B 12 0.033 7.198 -4.233 1.00 0.00 C ATOM 1065 C LEU B 12 -1.017 7.521 -3.150 1.00 0.00 C ATOM 1066 O LEU B 12 -0.740 8.243 -2.190 1.00 0.00 O ATOM 1067 CB LEU B 12 0.917 5.999 -3.817 1.00 0.00 C ATOM 1068 CG LEU B 12 0.214 4.629 -3.876 1.00 0.00 C ATOM 1069 CD1 LEU B 12 -0.044 4.192 -5.315 1.00 0.00 C ATOM 1070 CD2 LEU B 12 1.076 3.545 -3.240 1.00 0.00 C ATOM 0 H LEU B 12 1.031 8.958 -3.730 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.538 6.955 -5.129 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.794 5.970 -4.464 1.00 0.00 H new ATOM 0 HB3 LEU B 12 1.275 6.165 -2.801 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.727 4.749 -3.338 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.541 3.222 -5.317 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.680 4.926 -5.810 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.904 4.115 -5.847 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.557 2.588 -3.295 1.00 0.00 H new ATOM 0 HD22 LEU B 12 2.024 3.474 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.265 3.796 -2.196 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.202 6.928 -3.284 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.279 6.911 -2.283 1.00 0.00 C ATOM 1084 C LYS B 13 -3.787 5.472 -2.093 1.00 0.00 C ATOM 1085 O LYS B 13 -3.658 4.652 -3.002 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.426 7.827 -2.743 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.122 9.303 -2.453 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.141 10.255 -3.103 1.00 0.00 C ATOM 1089 CE LYS B 13 -4.886 10.450 -4.605 1.00 0.00 C ATOM 1090 NZ LYS B 13 -3.779 11.397 -4.864 1.00 0.00 N ATOM 0 H LYS B 13 -2.454 6.421 -4.132 1.00 0.00 H new ATOM 0 HA LYS B 13 -2.897 7.277 -1.330 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -4.593 7.693 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.348 7.539 -2.237 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -4.116 9.464 -1.375 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.123 9.543 -2.817 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -6.147 9.861 -2.956 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -5.101 11.222 -2.602 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.653 9.488 -5.061 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.795 10.817 -5.082 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -3.349 11.185 -5.787 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -4.148 12.369 -4.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.060 11.303 -4.118 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.363 5.132 -0.940 1.00 0.00 N ATOM 1105 CA GLY B 14 -4.845 3.764 -0.693 1.00 0.00 C ATOM 1106 C GLY B 14 -5.220 3.437 0.752 1.00 0.00 C ATOM 1107 O GLY B 14 -5.207 4.300 1.632 1.00 0.00 O ATOM 0 H GLY B 14 -4.509 5.777 -0.164 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -5.717 3.588 -1.323 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -4.073 3.064 -1.015 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.535 2.161 0.986 1.00 0.00 N ATOM 1112 CA GLU B 15 -5.872 1.562 2.293 1.00 0.00 C ATOM 1113 C GLU B 15 -5.369 0.119 2.372 1.00 0.00 C ATOM 1114 O GLU B 15 -5.569 -0.662 1.441 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.390 1.539 2.534 1.00 0.00 C ATOM 1116 CG GLU B 15 -8.031 2.920 2.662 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.536 2.777 2.837 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -9.986 2.572 3.987 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.266 2.874 1.826 1.00 0.00 O ATOM 0 H GLU B 15 -5.565 1.475 0.232 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.390 2.180 3.050 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -7.868 1.005 1.712 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.593 0.972 3.443 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.606 3.451 3.514 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.814 3.515 1.775 1.00 0.00 H new ATOM 1126 N THR B 16 -4.729 -0.246 3.481 1.00 0.00 N ATOM 1127 CA THR B 16 -4.159 -1.590 3.710 1.00 0.00 C ATOM 1128 C THR B 16 -4.394 -2.102 5.141 1.00 0.00 C ATOM 1129 O THR B 16 -4.790 -1.350 6.034 1.00 0.00 O ATOM 1130 CB THR B 16 -2.652 -1.668 3.371 1.00 0.00 C ATOM 1131 OG1 THR B 16 -1.854 -1.153 4.404 1.00 0.00 O ATOM 1132 CG2 THR B 16 -2.222 -0.920 2.110 1.00 0.00 C ATOM 0 H THR B 16 -4.585 0.389 4.266 1.00 0.00 H new ATOM 0 HA THR B 16 -4.698 -2.241 3.022 1.00 0.00 H new ATOM 0 HB THR B 16 -2.506 -2.737 3.218 1.00 0.00 H new ATOM 0 HG1 THR B 16 -0.909 -1.222 4.153 1.00 0.00 H new ATOM 0 HG21 THR B 16 -1.148 -1.039 1.965 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.752 -1.325 1.248 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.458 0.139 2.217 1.00 0.00 H new ATOM 1140 N THR B 17 -4.181 -3.400 5.364 1.00 0.00 N ATOM 1141 CA THR B 17 -4.543 -4.125 6.595 1.00 0.00 C ATOM 1142 C THR B 17 -3.530 -5.237 6.911 1.00 0.00 C ATOM 1143 O THR B 17 -2.999 -5.885 6.002 1.00 0.00 O ATOM 1144 CB THR B 17 -5.952 -4.770 6.485 1.00 0.00 C ATOM 1145 OG1 THR B 17 -6.788 -4.163 5.519 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.712 -4.726 7.808 1.00 0.00 C ATOM 0 H THR B 17 -3.736 -4.002 4.671 1.00 0.00 H new ATOM 0 HA THR B 17 -4.540 -3.386 7.396 1.00 0.00 H new ATOM 0 HB THR B 17 -5.738 -5.796 6.186 1.00 0.00 H new ATOM 0 HG1 THR B 17 -7.655 -4.620 5.503 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.691 -5.188 7.681 1.00 0.00 H new ATOM 0 HG22 THR B 17 -6.150 -5.269 8.568 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.838 -3.689 8.121 1.00 0.00 H new ATOM 1154 N THR B 18 -3.279 -5.474 8.198 1.00 0.00 N ATOM 1155 CA THR B 18 -2.347 -6.489 8.735 1.00 0.00 C ATOM 1156 C THR B 18 -2.863 -7.058 10.069 1.00 0.00 C ATOM 1157 O THR B 18 -3.784 -6.497 10.669 1.00 0.00 O ATOM 1158 CB THR B 18 -0.927 -5.904 8.924 1.00 0.00 C ATOM 1159 OG1 THR B 18 0.025 -6.932 9.082 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.788 -4.970 10.131 1.00 0.00 C ATOM 0 H THR B 18 -3.738 -4.942 8.938 1.00 0.00 H new ATOM 0 HA THR B 18 -2.291 -7.298 8.007 1.00 0.00 H new ATOM 0 HB THR B 18 -0.750 -5.324 8.018 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.303 -7.259 8.201 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.237 -4.604 10.192 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.469 -4.126 10.018 1.00 0.00 H new ATOM 0 HG23 THR B 18 -1.033 -5.515 11.043 1.00 0.00 H new ATOM 1168 N GLU B 19 -2.300 -8.170 10.553 1.00 0.00 N ATOM 1169 CA GLU B 19 -2.543 -8.706 11.910 1.00 0.00 C ATOM 1170 C GLU B 19 -1.225 -8.948 12.640 1.00 0.00 C ATOM 1171 O GLU B 19 -0.373 -9.713 12.186 1.00 0.00 O ATOM 1172 CB GLU B 19 -3.424 -9.967 11.893 1.00 0.00 C ATOM 1173 CG GLU B 19 -3.474 -10.649 13.265 1.00 0.00 C ATOM 1174 CD GLU B 19 -4.786 -11.377 13.504 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -5.137 -12.277 12.710 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -5.434 -11.055 14.527 1.00 0.00 O ATOM 0 H GLU B 19 -1.650 -8.738 10.009 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.102 -7.950 12.462 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.434 -9.700 11.584 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -3.039 -10.669 11.153 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -2.649 -11.357 13.346 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -3.330 -9.901 14.045 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.085 -8.272 13.777 1.00 0.00 N ATOM 1184 CA ALA B 20 0.115 -8.196 14.586 1.00 0.00 C ATOM 1185 C ALA B 20 -0.192 -8.451 16.070 1.00 0.00 C ATOM 1186 O ALA B 20 -1.351 -8.482 16.504 1.00 0.00 O ATOM 1187 CB ALA B 20 0.711 -6.803 14.376 1.00 0.00 C ATOM 0 H ALA B 20 -1.854 -7.734 14.176 1.00 0.00 H new ATOM 0 HA ALA B 20 0.825 -8.966 14.285 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.620 -6.703 14.969 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.949 -6.664 13.321 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -0.011 -6.048 14.687 1.00 0.00 H new ATOM 1193 N VAL B 21 0.869 -8.629 16.856 1.00 0.00 N ATOM 1194 CA VAL B 21 0.758 -8.853 18.308 1.00 0.00 C ATOM 1195 C VAL B 21 0.273 -7.595 19.036 1.00 0.00 C ATOM 1196 O VAL B 21 -0.608 -7.696 19.895 1.00 0.00 O ATOM 1197 CB VAL B 21 2.069 -9.407 18.895 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.266 -8.527 18.531 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.013 -9.610 20.413 1.00 0.00 C ATOM 0 H VAL B 21 1.829 -8.623 16.512 1.00 0.00 H new ATOM 0 HA VAL B 21 -0.003 -9.617 18.469 1.00 0.00 H new ATOM 0 HB VAL B 21 2.198 -10.389 18.441 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.173 -8.950 18.963 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.368 -8.481 17.447 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.112 -7.522 18.924 1.00 0.00 H new ATOM 0 HG21 VAL B 21 2.968 -10.002 20.763 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.812 -8.656 20.900 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.219 -10.316 20.657 1.00 0.00 H new ATOM 1209 N ASP B 22 0.743 -6.394 18.661 1.00 0.00 N ATOM 1210 CA ASP B 22 0.312 -5.105 19.213 1.00 0.00 C ATOM 1211 C ASP B 22 0.533 -3.980 18.179 1.00 0.00 C ATOM 1212 O ASP B 22 1.218 -4.160 17.165 1.00 0.00 O ATOM 1213 CB ASP B 22 1.145 -4.801 20.486 1.00 0.00 C ATOM 1214 CG ASP B 22 0.366 -4.093 21.618 1.00 0.00 C ATOM 1215 OD1 ASP B 22 -0.219 -3.012 21.376 1.00 0.00 O ATOM 1216 OD2 ASP B 22 0.361 -4.611 22.762 1.00 0.00 O ATOM 0 H ASP B 22 1.458 -6.293 17.940 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.749 -5.155 19.459 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.547 -5.738 20.872 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.996 -4.180 20.206 1.00 0.00 H new ATOM 1221 N ALA B 23 -0.010 -2.813 18.496 1.00 0.00 N ATOM 1222 CA ALA B 23 0.032 -1.591 17.692 1.00 0.00 C ATOM 1223 C ALA B 23 1.460 -1.183 17.281 1.00 0.00 C ATOM 1224 O ALA B 23 1.649 -0.584 16.228 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.660 -0.463 18.465 1.00 0.00 C ATOM 0 H ALA B 23 -0.521 -2.682 19.369 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.497 -1.787 16.759 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.634 0.452 17.874 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.696 -0.739 18.661 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -0.143 -0.299 19.410 1.00 0.00 H new ATOM 1231 N ALA B 24 2.475 -1.545 18.068 1.00 0.00 N ATOM 1232 CA ALA B 24 3.876 -1.271 17.793 1.00 0.00 C ATOM 1233 C ALA B 24 4.450 -2.209 16.720 1.00 0.00 C ATOM 1234 O ALA B 24 5.256 -1.779 15.898 1.00 0.00 O ATOM 1235 CB ALA B 24 4.673 -1.373 19.097 1.00 0.00 C ATOM 0 H ALA B 24 2.334 -2.053 18.941 1.00 0.00 H new ATOM 0 HA ALA B 24 3.957 -0.260 17.393 1.00 0.00 H new ATOM 0 HB1 ALA B 24 5.725 -1.169 18.897 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.292 -0.646 19.814 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.570 -2.377 19.509 1.00 0.00 H new ATOM 1241 N THR B 25 4.017 -3.473 16.659 1.00 0.00 N ATOM 1242 CA THR B 25 4.375 -4.414 15.584 1.00 0.00 C ATOM 1243 C THR B 25 3.600 -4.107 14.294 1.00 0.00 C ATOM 1244 O THR B 25 4.199 -4.058 13.221 1.00 0.00 O ATOM 1245 CB THR B 25 4.143 -5.861 16.034 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.841 -6.092 17.239 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.625 -6.901 15.020 1.00 0.00 C ATOM 0 H THR B 25 3.400 -3.879 17.362 1.00 0.00 H new ATOM 0 HA THR B 25 5.436 -4.290 15.367 1.00 0.00 H new ATOM 0 HB THR B 25 3.065 -5.974 16.149 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.242 -6.986 17.219 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.429 -7.902 15.404 1.00 0.00 H new ATOM 0 HG22 THR B 25 4.094 -6.764 14.078 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.695 -6.779 14.855 1.00 0.00 H new ATOM 1255 N ALA B 26 2.303 -3.783 14.370 1.00 0.00 N ATOM 1256 CA ALA B 26 1.550 -3.293 13.199 1.00 0.00 C ATOM 1257 C ALA B 26 2.124 -1.987 12.605 1.00 0.00 C ATOM 1258 O ALA B 26 2.268 -1.858 11.388 1.00 0.00 O ATOM 1259 CB ALA B 26 0.094 -3.075 13.600 1.00 0.00 C ATOM 0 H ALA B 26 1.751 -3.850 15.225 1.00 0.00 H new ATOM 0 HA ALA B 26 1.634 -4.052 12.421 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.470 -2.713 12.740 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.334 -4.017 13.944 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.044 -2.339 14.403 1.00 0.00 H new ATOM 1265 N GLU B 27 2.553 -1.086 13.497 1.00 0.00 N ATOM 1266 CA GLU B 27 3.322 0.125 13.137 1.00 0.00 C ATOM 1267 C GLU B 27 4.662 -0.237 12.507 1.00 0.00 C ATOM 1268 O GLU B 27 5.052 0.370 11.512 1.00 0.00 O ATOM 1269 CB GLU B 27 3.542 1.074 14.327 1.00 0.00 C ATOM 1270 CG GLU B 27 4.241 2.367 13.899 1.00 0.00 C ATOM 1271 CD GLU B 27 4.367 3.353 15.051 1.00 0.00 C ATOM 1272 OE1 GLU B 27 4.933 2.984 16.104 1.00 0.00 O ATOM 1273 OE2 GLU B 27 3.976 4.525 14.865 1.00 0.00 O ATOM 0 H GLU B 27 2.378 -1.172 14.498 1.00 0.00 H new ATOM 0 HA GLU B 27 2.714 0.657 12.406 1.00 0.00 H new ATOM 0 HB2 GLU B 27 2.582 1.314 14.784 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.140 0.572 15.087 1.00 0.00 H new ATOM 0 HG2 GLU B 27 5.233 2.132 13.512 1.00 0.00 H new ATOM 0 HG3 GLU B 27 3.682 2.829 13.085 1.00 0.00 H new ATOM 1280 N LYS B 28 5.347 -1.260 13.021 1.00 0.00 N ATOM 1281 CA LYS B 28 6.602 -1.737 12.419 1.00 0.00 C ATOM 1282 C LYS B 28 6.400 -2.326 11.004 1.00 0.00 C ATOM 1283 O LYS B 28 7.157 -1.986 10.096 1.00 0.00 O ATOM 1284 CB LYS B 28 7.284 -2.724 13.383 1.00 0.00 C ATOM 1285 CG LYS B 28 8.716 -3.097 12.974 1.00 0.00 C ATOM 1286 CD LYS B 28 9.345 -4.008 14.040 1.00 0.00 C ATOM 1287 CE LYS B 28 10.764 -4.421 13.635 1.00 0.00 C ATOM 1288 NZ LYS B 28 11.394 -5.284 14.657 1.00 0.00 N ATOM 0 H LYS B 28 5.058 -1.776 13.852 1.00 0.00 H new ATOM 0 HA LYS B 28 7.263 -0.883 12.272 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.303 -2.288 14.382 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.685 -3.632 13.443 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.707 -3.604 12.009 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.316 -2.195 12.854 1.00 0.00 H new ATOM 0 HD2 LYS B 28 9.372 -3.489 14.998 1.00 0.00 H new ATOM 0 HD3 LYS B 28 8.728 -4.896 14.176 1.00 0.00 H new ATOM 0 HE2 LYS B 28 10.731 -4.949 12.682 1.00 0.00 H new ATOM 0 HE3 LYS B 28 11.374 -3.530 13.485 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 12.353 -5.544 14.349 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 11.448 -4.771 15.560 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 10.825 -6.146 14.782 1.00 0.00 H new ATOM 1302 N VAL B 29 5.381 -3.159 10.757 1.00 0.00 N ATOM 1303 CA VAL B 29 5.027 -3.637 9.397 1.00 0.00 C ATOM 1304 C VAL B 29 4.670 -2.470 8.465 1.00 0.00 C ATOM 1305 O VAL B 29 5.261 -2.329 7.392 1.00 0.00 O ATOM 1306 CB VAL B 29 3.871 -4.662 9.451 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.395 -5.102 8.060 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.302 -5.934 10.196 1.00 0.00 C ATOM 0 H VAL B 29 4.773 -3.526 11.489 1.00 0.00 H new ATOM 0 HA VAL B 29 5.907 -4.134 8.989 1.00 0.00 H new ATOM 0 HB VAL B 29 3.058 -4.151 9.967 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.583 -5.821 8.164 1.00 0.00 H new ATOM 0 HG12 VAL B 29 3.041 -4.233 7.505 1.00 0.00 H new ATOM 0 HG13 VAL B 29 4.222 -5.564 7.522 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.472 -6.640 10.221 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.149 -6.388 9.681 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.591 -5.678 11.215 1.00 0.00 H new ATOM 1318 N PHE B 30 3.762 -1.587 8.884 1.00 0.00 N ATOM 1319 CA PHE B 30 3.379 -0.436 8.061 1.00 0.00 C ATOM 1320 C PHE B 30 4.556 0.506 7.737 1.00 0.00 C ATOM 1321 O PHE B 30 4.674 0.974 6.606 1.00 0.00 O ATOM 1322 CB PHE B 30 2.251 0.365 8.718 1.00 0.00 C ATOM 1323 CG PHE B 30 0.935 -0.363 8.954 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.409 -1.257 7.996 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.211 -0.116 10.139 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.819 -1.900 8.229 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -1.014 -0.764 10.370 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.532 -1.648 9.410 1.00 0.00 C ATOM 0 H PHE B 30 3.281 -1.645 9.781 1.00 0.00 H new ATOM 0 HA PHE B 30 3.031 -0.857 7.118 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.612 0.733 9.678 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.049 1.238 8.097 1.00 0.00 H new ATOM 0 HD1 PHE B 30 0.952 -1.447 7.082 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.600 0.575 10.872 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.214 -2.589 7.497 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.557 -0.582 11.286 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.481 -2.135 9.581 1.00 0.00 H new ATOM 1338 N LYS B 31 5.470 0.734 8.684 1.00 0.00 N ATOM 1339 CA LYS B 31 6.679 1.537 8.445 1.00 0.00 C ATOM 1340 C LYS B 31 7.758 0.809 7.630 1.00 0.00 C ATOM 1341 O LYS B 31 8.619 1.462 7.041 1.00 0.00 O ATOM 1342 CB LYS B 31 7.252 2.077 9.759 1.00 0.00 C ATOM 1343 CG LYS B 31 6.355 3.207 10.279 1.00 0.00 C ATOM 1344 CD LYS B 31 6.929 3.826 11.551 1.00 0.00 C ATOM 1345 CE LYS B 31 6.002 4.959 12.005 1.00 0.00 C ATOM 1346 NZ LYS B 31 6.489 5.617 13.234 1.00 0.00 N ATOM 0 H LYS B 31 5.396 0.371 9.634 1.00 0.00 H new ATOM 0 HA LYS B 31 6.358 2.377 7.829 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.314 1.278 10.497 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.266 2.445 9.602 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.252 3.975 9.512 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.356 2.819 10.479 1.00 0.00 H new ATOM 0 HD2 LYS B 31 7.015 3.072 12.333 1.00 0.00 H new ATOM 0 HD3 LYS B 31 7.932 4.209 11.366 1.00 0.00 H new ATOM 0 HE2 LYS B 31 5.916 5.698 11.208 1.00 0.00 H new ATOM 0 HE3 LYS B 31 5.002 4.561 12.179 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 5.831 5.422 14.016 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 7.432 5.249 13.475 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 6.548 6.644 13.078 1.00 0.00 H new ATOM 1360 N GLN B 32 7.745 -0.523 7.561 1.00 0.00 N ATOM 1361 CA GLN B 32 8.598 -1.292 6.639 1.00 0.00 C ATOM 1362 C GLN B 32 8.147 -1.130 5.172 1.00 0.00 C ATOM 1363 O GLN B 32 8.983 -0.893 4.299 1.00 0.00 O ATOM 1364 CB GLN B 32 8.597 -2.772 7.066 1.00 0.00 C ATOM 1365 CG GLN B 32 9.665 -3.045 8.129 1.00 0.00 C ATOM 1366 CD GLN B 32 9.553 -4.453 8.667 1.00 0.00 C ATOM 1367 OE1 GLN B 32 10.335 -5.336 8.337 1.00 0.00 O ATOM 1368 NE2 GLN B 32 8.571 -4.700 9.505 1.00 0.00 N ATOM 0 H GLN B 32 7.143 -1.105 8.143 1.00 0.00 H new ATOM 0 HA GLN B 32 9.615 -0.903 6.694 1.00 0.00 H new ATOM 0 HB2 GLN B 32 7.615 -3.039 7.457 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.777 -3.404 6.196 1.00 0.00 H new ATOM 0 HG2 GLN B 32 10.656 -2.894 7.700 1.00 0.00 H new ATOM 0 HG3 GLN B 32 9.560 -2.331 8.946 1.00 0.00 H new ATOM 0 HE21 GLN B 32 7.928 -3.954 9.771 1.00 0.00 H new ATOM 0 HE22 GLN B 32 8.452 -5.637 9.890 1.00 0.00 H new ATOM 1377 N TYR B 33 6.839 -1.188 4.890 1.00 0.00 N ATOM 1378 CA TYR B 33 6.290 -0.968 3.534 1.00 0.00 C ATOM 1379 C TYR B 33 6.262 0.519 3.111 1.00 0.00 C ATOM 1380 O TYR B 33 6.517 0.838 1.951 1.00 0.00 O ATOM 1381 CB TYR B 33 4.878 -1.578 3.449 1.00 0.00 C ATOM 1382 CG TYR B 33 4.865 -3.076 3.180 1.00 0.00 C ATOM 1383 CD1 TYR B 33 5.363 -3.986 4.136 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.353 -3.567 1.961 1.00 0.00 C ATOM 1385 CE1 TYR B 33 5.376 -5.367 3.863 1.00 0.00 C ATOM 1386 CE2 TYR B 33 4.348 -4.950 1.700 1.00 0.00 C ATOM 1387 CZ TYR B 33 4.872 -5.848 2.646 1.00 0.00 C ATOM 1388 OH TYR B 33 4.896 -7.185 2.390 1.00 0.00 O ATOM 0 H TYR B 33 6.126 -1.388 5.592 1.00 0.00 H new ATOM 0 HA TYR B 33 6.961 -1.465 2.834 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.352 -1.383 4.384 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.322 -1.073 2.659 1.00 0.00 H new ATOM 0 HD1 TYR B 33 5.736 -3.622 5.082 1.00 0.00 H new ATOM 0 HD2 TYR B 33 3.963 -2.879 1.225 1.00 0.00 H new ATOM 0 HE1 TYR B 33 5.775 -6.057 4.592 1.00 0.00 H new ATOM 0 HE2 TYR B 33 3.941 -5.322 0.771 1.00 0.00 H new ATOM 0 HH TYR B 33 4.503 -7.670 3.145 1.00 0.00 H new ATOM 1398 N PHE B 34 5.975 1.399 4.073 1.00 0.00 N ATOM 1399 CA PHE B 34 5.718 2.841 3.868 1.00 0.00 C ATOM 1400 C PHE B 34 6.776 3.774 4.511 1.00 0.00 C ATOM 1401 O PHE B 34 6.462 4.878 4.963 1.00 0.00 O ATOM 1402 CB PHE B 34 4.267 3.199 4.231 1.00 0.00 C ATOM 1403 CG PHE B 34 3.221 2.393 3.477 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.076 2.560 2.085 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.396 1.477 4.157 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.119 1.810 1.378 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.440 0.725 3.450 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.303 0.891 2.059 1.00 0.00 C ATOM 0 H PHE B 34 5.911 1.125 5.054 1.00 0.00 H new ATOM 0 HA PHE B 34 5.836 3.031 2.801 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.124 3.049 5.301 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.105 4.259 4.034 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.702 3.266 1.560 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.497 1.351 5.225 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.011 1.941 0.311 1.00 0.00 H new ATOM 0 HE2 PHE B 34 0.811 0.021 3.974 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.571 0.312 1.515 1.00 0.00 H new ATOM 1418 N ASN B 35 8.035 3.325 4.569 1.00 0.00 N ATOM 1419 CA ASN B 35 9.160 4.019 5.208 1.00 0.00 C ATOM 1420 C ASN B 35 9.358 5.498 4.777 1.00 0.00 C ATOM 1421 O ASN B 35 9.589 6.364 5.628 1.00 0.00 O ATOM 1422 CB ASN B 35 10.429 3.184 4.963 1.00 0.00 C ATOM 1423 CG ASN B 35 11.449 3.405 6.063 1.00 0.00 C ATOM 1424 OD1 ASN B 35 12.425 4.132 5.912 1.00 0.00 O ATOM 1425 ND2 ASN B 35 11.238 2.779 7.202 1.00 0.00 N ATOM 0 H ASN B 35 8.309 2.434 4.156 1.00 0.00 H new ATOM 0 HA ASN B 35 8.933 4.096 6.271 1.00 0.00 H new ATOM 0 HB2 ASN B 35 10.168 2.127 4.912 1.00 0.00 H new ATOM 0 HB3 ASN B 35 10.864 3.452 4.000 1.00 0.00 H new ATOM 0 HD21 ASN B 35 11.892 2.895 7.976 1.00 0.00 H new ATOM 0 HD22 ASN B 35 10.421 2.178 7.310 1.00 0.00 H new ATOM 1432 N ASP B 36 9.239 5.784 3.473 1.00 0.00 N ATOM 1433 CA ASP B 36 9.177 7.133 2.867 1.00 0.00 C ATOM 1434 C ASP B 36 8.570 7.076 1.463 1.00 0.00 C ATOM 1435 O ASP B 36 7.581 7.765 1.201 1.00 0.00 O ATOM 1436 CB ASP B 36 10.548 7.850 2.823 1.00 0.00 C ATOM 1437 CG ASP B 36 11.616 7.281 1.859 1.00 0.00 C ATOM 1438 OD1 ASP B 36 11.804 6.043 1.796 1.00 0.00 O ATOM 1439 OD2 ASP B 36 12.250 8.085 1.134 1.00 0.00 O ATOM 0 H ASP B 36 9.180 5.046 2.771 1.00 0.00 H new ATOM 0 HA ASP B 36 8.532 7.723 3.518 1.00 0.00 H new ATOM 0 HB2 ASP B 36 10.375 8.893 2.557 1.00 0.00 H new ATOM 0 HB3 ASP B 36 10.965 7.843 3.830 1.00 0.00 H new ATOM 1444 N ASN B 37 9.108 6.196 0.613 1.00 0.00 N ATOM 1445 CA ASN B 37 8.651 5.806 -0.719 1.00 0.00 C ATOM 1446 C ASN B 37 8.590 6.990 -1.716 1.00 0.00 C ATOM 1447 O ASN B 37 9.516 7.219 -2.498 1.00 0.00 O ATOM 1448 CB ASN B 37 7.336 5.016 -0.585 1.00 0.00 C ATOM 1449 CG ASN B 37 7.437 3.768 0.282 1.00 0.00 C ATOM 1450 OD1 ASN B 37 8.027 3.726 1.357 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.817 2.704 -0.157 1.00 0.00 N ATOM 0 H ASN B 37 9.957 5.691 0.868 1.00 0.00 H new ATOM 0 HA ASN B 37 9.391 5.146 -1.171 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.573 5.673 -0.168 1.00 0.00 H new ATOM 0 HB3 ASN B 37 6.998 4.726 -1.580 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.826 1.845 0.393 1.00 0.00 H new ATOM 0 HD22 ASN B 37 6.325 2.733 -1.050 1.00 0.00 H new ATOM 1458 N GLY B 38 7.507 7.755 -1.644 1.00 0.00 N ATOM 1459 CA GLY B 38 7.211 8.949 -2.445 1.00 0.00 C ATOM 1460 C GLY B 38 6.246 9.905 -1.738 1.00 0.00 C ATOM 1461 O GLY B 38 5.453 10.580 -2.398 1.00 0.00 O ATOM 0 H GLY B 38 6.759 7.548 -0.982 1.00 0.00 H new ATOM 0 HA2 GLY B 38 8.140 9.474 -2.666 1.00 0.00 H new ATOM 0 HA3 GLY B 38 6.782 8.645 -3.400 1.00 0.00 H new ATOM 1465 N VAL B 39 6.279 9.905 -0.400 1.00 0.00 N ATOM 1466 CA VAL B 39 5.306 10.583 0.480 1.00 0.00 C ATOM 1467 C VAL B 39 6.007 11.342 1.615 1.00 0.00 C ATOM 1468 O VAL B 39 5.795 12.546 1.767 1.00 0.00 O ATOM 1469 CB VAL B 39 4.309 9.571 1.104 1.00 0.00 C ATOM 1470 CG1 VAL B 39 3.086 10.271 1.702 1.00 0.00 C ATOM 1471 CG2 VAL B 39 3.789 8.539 0.099 1.00 0.00 C ATOM 0 H VAL B 39 7.007 9.418 0.123 1.00 0.00 H new ATOM 0 HA VAL B 39 4.763 11.291 -0.146 1.00 0.00 H new ATOM 0 HB VAL B 39 4.885 9.065 1.879 1.00 0.00 H new ATOM 0 HG11 VAL B 39 2.413 9.527 2.128 1.00 0.00 H new ATOM 0 HG12 VAL B 39 3.407 10.960 2.483 1.00 0.00 H new ATOM 0 HG13 VAL B 39 2.566 10.825 0.921 1.00 0.00 H new ATOM 0 HG21 VAL B 39 3.097 7.861 0.599 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.273 9.050 -0.714 1.00 0.00 H new ATOM 0 HG23 VAL B 39 4.627 7.970 -0.304 1.00 0.00 H new ATOM 1481 N ASP B 40 6.867 10.657 2.391 1.00 0.00 N ATOM 1482 CA ASP B 40 7.510 11.154 3.632 1.00 0.00 C ATOM 1483 C ASP B 40 6.572 12.003 4.530 1.00 0.00 C ATOM 1484 O ASP B 40 6.940 13.062 5.046 1.00 0.00 O ATOM 1485 CB ASP B 40 8.840 11.854 3.275 1.00 0.00 C ATOM 1486 CG ASP B 40 9.723 12.223 4.491 1.00 0.00 C ATOM 1487 OD1 ASP B 40 9.862 11.395 5.425 1.00 0.00 O ATOM 1488 OD2 ASP B 40 10.318 13.329 4.489 1.00 0.00 O ATOM 0 H ASP B 40 7.148 9.703 2.166 1.00 0.00 H new ATOM 0 HA ASP B 40 7.739 10.295 4.263 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.411 11.203 2.613 1.00 0.00 H new ATOM 0 HB3 ASP B 40 8.618 12.763 2.715 1.00 0.00 H new ATOM 1493 N GLY B 41 5.319 11.556 4.652 1.00 0.00 N ATOM 1494 CA GLY B 41 4.222 12.297 5.291 1.00 0.00 C ATOM 1495 C GLY B 41 4.201 12.231 6.826 1.00 0.00 C ATOM 1496 O GLY B 41 4.979 11.507 7.455 1.00 0.00 O ATOM 0 H GLY B 41 5.029 10.644 4.300 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.285 13.342 4.988 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.275 11.912 4.913 1.00 0.00 H new ATOM 1500 N GLU B 42 3.278 12.983 7.431 1.00 0.00 N ATOM 1501 CA GLU B 42 2.942 12.927 8.869 1.00 0.00 C ATOM 1502 C GLU B 42 2.126 11.674 9.200 1.00 0.00 C ATOM 1503 O GLU B 42 1.246 11.291 8.430 1.00 0.00 O ATOM 1504 CB GLU B 42 2.143 14.182 9.265 1.00 0.00 C ATOM 1505 CG GLU B 42 1.849 14.327 10.760 1.00 0.00 C ATOM 1506 CD GLU B 42 3.132 14.481 11.568 1.00 0.00 C ATOM 1507 OE1 GLU B 42 3.699 13.448 11.991 1.00 0.00 O ATOM 1508 OE2 GLU B 42 3.559 15.636 11.789 1.00 0.00 O ATOM 0 H GLU B 42 2.722 13.672 6.924 1.00 0.00 H new ATOM 0 HA GLU B 42 3.874 12.888 9.434 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.693 15.062 8.933 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.196 14.175 8.725 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.208 15.193 10.924 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.299 13.453 11.110 1.00 0.00 H new ATOM 1515 N TRP B 43 2.396 11.067 10.354 1.00 0.00 N ATOM 1516 CA TRP B 43 1.712 9.867 10.862 1.00 0.00 C ATOM 1517 C TRP B 43 0.760 10.186 12.036 1.00 0.00 C ATOM 1518 O TRP B 43 1.056 11.011 12.903 1.00 0.00 O ATOM 1519 CB TRP B 43 2.749 8.804 11.268 1.00 0.00 C ATOM 1520 CG TRP B 43 3.426 8.082 10.138 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.276 8.635 9.242 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.321 6.670 9.756 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.685 7.686 8.329 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.120 6.457 8.590 1.00 0.00 C ATOM 1525 CE3 TRP B 43 2.623 5.552 10.265 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.212 5.208 7.958 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 2.712 4.291 9.640 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.499 4.120 8.486 1.00 0.00 C ATOM 0 H TRP B 43 3.121 11.404 10.987 1.00 0.00 H new ATOM 0 HA TRP B 43 1.092 9.474 10.056 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.515 9.285 11.876 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.256 8.066 11.901 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.588 9.669 9.242 1.00 0.00 H new ATOM 0 HE1 TRP B 43 5.326 7.871 7.557 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.011 5.665 11.148 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 4.824 5.085 7.076 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.172 3.450 10.050 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.554 3.153 8.007 1.00 0.00 H new ATOM 1539 N THR B 44 -0.391 9.510 12.067 1.00 0.00 N ATOM 1540 CA THR B 44 -1.451 9.608 13.094 1.00 0.00 C ATOM 1541 C THR B 44 -1.989 8.202 13.421 1.00 0.00 C ATOM 1542 O THR B 44 -1.950 7.325 12.553 1.00 0.00 O ATOM 1543 CB THR B 44 -2.619 10.479 12.573 1.00 0.00 C ATOM 1544 OG1 THR B 44 -2.161 11.693 12.011 1.00 0.00 O ATOM 1545 CG2 THR B 44 -3.649 10.851 13.641 1.00 0.00 C ATOM 0 H THR B 44 -0.630 8.839 11.337 1.00 0.00 H new ATOM 0 HA THR B 44 -1.027 10.063 13.989 1.00 0.00 H new ATOM 0 HB THR B 44 -3.095 9.846 11.824 1.00 0.00 H new ATOM 0 HG1 THR B 44 -2.926 12.215 11.692 1.00 0.00 H new ATOM 0 HG21 THR B 44 -4.433 11.461 13.193 1.00 0.00 H new ATOM 0 HG22 THR B 44 -4.088 9.943 14.055 1.00 0.00 H new ATOM 0 HG23 THR B 44 -3.161 11.414 14.437 1.00 0.00 H new ATOM 1553 N TYR B 45 -2.521 7.955 14.627 1.00 0.00 N ATOM 1554 CA TYR B 45 -3.091 6.660 15.045 1.00 0.00 C ATOM 1555 C TYR B 45 -4.299 6.827 15.992 1.00 0.00 C ATOM 1556 O TYR B 45 -4.310 7.717 16.849 1.00 0.00 O ATOM 1557 CB TYR B 45 -1.995 5.846 15.756 1.00 0.00 C ATOM 1558 CG TYR B 45 -2.470 4.562 16.422 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -2.960 3.501 15.640 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -2.444 4.432 17.825 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -3.418 2.319 16.248 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -2.903 3.247 18.434 1.00 0.00 C ATOM 1563 CZ TYR B 45 -3.396 2.193 17.646 1.00 0.00 C ATOM 1564 OH TYR B 45 -3.851 1.051 18.228 1.00 0.00 O ATOM 0 H TYR B 45 -2.569 8.665 15.358 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.447 6.145 14.153 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -1.222 5.595 15.029 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.529 6.478 16.512 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -2.985 3.595 14.564 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.072 5.242 18.435 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.787 1.507 15.639 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -2.876 3.149 19.509 1.00 0.00 H new ATOM 0 HH TYR B 45 -4.092 1.233 19.160 1.00 0.00 H new ATOM 1574 N ASP B 46 -5.293 5.941 15.857 1.00 0.00 N ATOM 1575 CA ASP B 46 -6.488 5.824 16.713 1.00 0.00 C ATOM 1576 C ASP B 46 -6.544 4.462 17.413 1.00 0.00 C ATOM 1577 O ASP B 46 -6.701 3.435 16.746 1.00 0.00 O ATOM 1578 CB ASP B 46 -7.746 6.010 15.847 1.00 0.00 C ATOM 1579 CG ASP B 46 -9.005 6.264 16.687 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -9.361 5.361 17.473 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -9.624 7.348 16.563 1.00 0.00 O ATOM 0 H ASP B 46 -5.289 5.248 15.109 1.00 0.00 H new ATOM 0 HA ASP B 46 -6.439 6.595 17.482 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -7.593 6.846 15.165 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -7.896 5.122 15.233 1.00 0.00 H new ATOM 1586 N ASP B 47 -6.429 4.395 18.745 1.00 0.00 N ATOM 1587 CA ASP B 47 -6.501 3.148 19.525 1.00 0.00 C ATOM 1588 C ASP B 47 -7.936 2.675 19.840 1.00 0.00 C ATOM 1589 O ASP B 47 -8.120 1.558 20.322 1.00 0.00 O ATOM 1590 CB ASP B 47 -5.702 3.358 20.828 1.00 0.00 C ATOM 1591 CG ASP B 47 -5.277 2.038 21.499 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -4.609 1.213 20.829 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -5.628 1.815 22.682 1.00 0.00 O ATOM 0 H ASP B 47 -6.280 5.221 19.325 1.00 0.00 H new ATOM 0 HA ASP B 47 -6.074 2.352 18.915 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -4.813 3.950 20.610 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -6.306 3.936 21.528 1.00 0.00 H new ATOM 1598 N ALA B 48 -8.935 3.531 19.595 1.00 0.00 N ATOM 1599 CA ALA B 48 -10.355 3.116 19.650 1.00 0.00 C ATOM 1600 C ALA B 48 -10.841 2.314 18.400 1.00 0.00 C ATOM 1601 O ALA B 48 -11.892 1.670 18.440 1.00 0.00 O ATOM 1602 CB ALA B 48 -11.240 4.341 19.905 1.00 0.00 C ATOM 0 H ALA B 48 -8.795 4.513 19.357 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.443 2.415 20.480 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -12.285 4.033 19.945 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.961 4.801 20.853 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.105 5.062 19.099 1.00 0.00 H new ATOM 1608 N THR B 49 -10.117 2.436 17.275 1.00 0.00 N ATOM 1609 CA THR B 49 -10.380 1.688 16.020 1.00 0.00 C ATOM 1610 C THR B 49 -9.170 0.965 15.385 1.00 0.00 C ATOM 1611 O THR B 49 -9.249 0.446 14.269 1.00 0.00 O ATOM 1612 CB THR B 49 -11.251 2.531 15.060 1.00 0.00 C ATOM 1613 OG1 THR B 49 -11.911 1.741 14.094 1.00 0.00 O ATOM 1614 CG2 THR B 49 -10.510 3.659 14.352 1.00 0.00 C ATOM 0 H THR B 49 -9.318 3.066 17.204 1.00 0.00 H new ATOM 0 HA THR B 49 -10.974 0.817 16.299 1.00 0.00 H new ATOM 0 HB THR B 49 -11.983 2.990 15.724 1.00 0.00 H new ATOM 0 HG1 THR B 49 -11.310 1.032 13.785 1.00 0.00 H new ATOM 0 HG21 THR B 49 -11.200 4.195 13.700 1.00 0.00 H new ATOM 0 HG22 THR B 49 -10.102 4.347 15.092 1.00 0.00 H new ATOM 0 HG23 THR B 49 -9.698 3.243 13.756 1.00 0.00 H new ATOM 1622 N LYS B 50 -8.016 0.929 16.067 1.00 0.00 N ATOM 1623 CA LYS B 50 -6.792 0.206 15.662 1.00 0.00 C ATOM 1624 C LYS B 50 -6.304 0.544 14.232 1.00 0.00 C ATOM 1625 O LYS B 50 -5.869 -0.317 13.464 1.00 0.00 O ATOM 1626 CB LYS B 50 -6.953 -1.310 15.914 1.00 0.00 C ATOM 1627 CG LYS B 50 -7.406 -1.720 17.328 1.00 0.00 C ATOM 1628 CD LYS B 50 -6.622 -1.060 18.473 1.00 0.00 C ATOM 1629 CE LYS B 50 -7.021 -1.685 19.814 1.00 0.00 C ATOM 1630 NZ LYS B 50 -6.590 -0.859 20.956 1.00 0.00 N ATOM 0 H LYS B 50 -7.901 1.422 16.953 1.00 0.00 H new ATOM 0 HA LYS B 50 -5.984 0.564 16.299 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.674 -1.702 15.196 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -5.999 -1.795 15.706 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -8.462 -1.475 17.441 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.318 -2.802 17.423 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.551 -1.184 18.310 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -6.820 0.012 18.489 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -8.103 -1.813 19.847 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -6.579 -2.678 19.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -6.564 -1.443 21.816 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -5.642 -0.476 20.769 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -7.260 -0.075 21.090 1.00 0.00 H new ATOM 1644 N THR B 51 -6.406 1.820 13.863 1.00 0.00 N ATOM 1645 CA THR B 51 -6.152 2.324 12.502 1.00 0.00 C ATOM 1646 C THR B 51 -5.126 3.460 12.527 1.00 0.00 C ATOM 1647 O THR B 51 -5.162 4.329 13.401 1.00 0.00 O ATOM 1648 CB THR B 51 -7.465 2.804 11.853 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.402 1.748 11.761 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.292 3.359 10.437 1.00 0.00 C ATOM 0 H THR B 51 -6.674 2.557 14.515 1.00 0.00 H new ATOM 0 HA THR B 51 -5.745 1.507 11.906 1.00 0.00 H new ATOM 0 HB THR B 51 -7.813 3.603 12.507 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.608 1.414 12.659 1.00 0.00 H new ATOM 0 HG21 THR B 51 -8.260 3.675 10.049 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.614 4.212 10.461 1.00 0.00 H new ATOM 0 HG23 THR B 51 -6.878 2.585 9.791 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.219 3.471 11.552 1.00 0.00 N ATOM 1659 CA PHE B 52 -3.150 4.443 11.335 1.00 0.00 C ATOM 1660 C PHE B 52 -3.446 5.239 10.053 1.00 0.00 C ATOM 1661 O PHE B 52 -3.983 4.689 9.089 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.808 3.713 11.160 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.239 3.070 12.408 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -1.680 1.797 12.819 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.246 3.739 13.150 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -1.136 1.197 13.968 1.00 0.00 C ATOM 1667 CE2 PHE B 52 0.288 3.145 14.306 1.00 0.00 C ATOM 1668 CZ PHE B 52 -0.161 1.878 14.717 1.00 0.00 C ATOM 0 H PHE B 52 -4.212 2.743 10.837 1.00 0.00 H new ATOM 0 HA PHE B 52 -3.095 5.112 12.194 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -1.932 2.941 10.401 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.077 4.424 10.775 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.438 1.280 12.250 1.00 0.00 H new ATOM 0 HD2 PHE B 52 0.105 4.709 12.830 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.466 0.215 14.274 1.00 0.00 H new ATOM 0 HE2 PHE B 52 1.044 3.662 14.879 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.244 1.427 15.611 1.00 0.00 H new ATOM 1678 N THR B 53 -3.086 6.516 10.021 1.00 0.00 N ATOM 1679 CA THR B 53 -3.298 7.400 8.862 1.00 0.00 C ATOM 1680 C THR B 53 -2.009 8.156 8.528 1.00 0.00 C ATOM 1681 O THR B 53 -1.337 8.669 9.428 1.00 0.00 O ATOM 1682 CB THR B 53 -4.441 8.400 9.138 1.00 0.00 C ATOM 1683 OG1 THR B 53 -5.622 7.729 9.529 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.802 9.253 7.922 1.00 0.00 C ATOM 0 H THR B 53 -2.631 6.982 10.806 1.00 0.00 H new ATOM 0 HA THR B 53 -3.578 6.782 8.009 1.00 0.00 H new ATOM 0 HB THR B 53 -4.064 9.043 9.933 1.00 0.00 H new ATOM 0 HG1 THR B 53 -6.330 8.385 9.699 1.00 0.00 H new ATOM 0 HG21 THR B 53 -5.612 9.934 8.183 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.930 9.828 7.609 1.00 0.00 H new ATOM 0 HG23 THR B 53 -5.122 8.606 7.105 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.666 8.234 7.239 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.450 8.896 6.712 1.00 0.00 C ATOM 1694 C VAL B 54 -0.848 9.956 5.680 1.00 0.00 C ATOM 1695 O VAL B 54 -1.583 9.644 4.743 1.00 0.00 O ATOM 1696 CB VAL B 54 0.526 7.880 6.083 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.850 8.553 5.690 1.00 0.00 C ATOM 1698 CG2 VAL B 54 0.854 6.739 7.054 1.00 0.00 C ATOM 0 H VAL B 54 -2.241 7.827 6.502 1.00 0.00 H new ATOM 0 HA VAL B 54 0.065 9.372 7.547 1.00 0.00 H new ATOM 0 HB VAL B 54 0.027 7.483 5.199 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.518 7.813 5.250 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.655 9.343 4.965 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.318 8.981 6.577 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.544 6.043 6.577 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.315 7.148 7.953 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.063 6.215 7.322 1.00 0.00 H new ATOM 1708 N THR B 55 -0.440 11.208 5.893 1.00 0.00 N ATOM 1709 CA THR B 55 -0.864 12.381 5.092 1.00 0.00 C ATOM 1710 C THR B 55 0.309 13.310 4.712 1.00 0.00 C ATOM 1711 O THR B 55 1.195 13.533 5.545 1.00 0.00 O ATOM 1712 CB THR B 55 -1.988 13.150 5.819 1.00 0.00 C ATOM 1713 OG1 THR B 55 -3.094 12.305 6.066 1.00 0.00 O ATOM 1714 CG2 THR B 55 -2.535 14.342 5.033 1.00 0.00 C ATOM 0 H THR B 55 0.209 11.451 6.641 1.00 0.00 H new ATOM 0 HA THR B 55 -1.256 12.001 4.149 1.00 0.00 H new ATOM 0 HB THR B 55 -1.521 13.508 6.737 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.795 12.810 6.529 1.00 0.00 H new ATOM 0 HG21 THR B 55 -3.320 14.829 5.611 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.731 15.052 4.843 1.00 0.00 H new ATOM 0 HG23 THR B 55 -2.945 13.995 4.084 1.00 0.00 H new ATOM 1722 N GLU B 56 0.346 13.853 3.481 1.00 0.00 N ATOM 1723 CA GLU B 56 1.299 14.923 3.087 1.00 0.00 C ATOM 1724 C GLU B 56 0.800 16.305 3.521 1.00 0.00 C ATOM 1725 O GLU B 56 1.544 16.991 4.254 1.00 0.00 O ATOM 1726 CB GLU B 56 1.577 14.944 1.578 1.00 0.00 C ATOM 1727 CG GLU B 56 2.447 13.760 1.173 1.00 0.00 C ATOM 1728 CD GLU B 56 2.899 13.872 -0.275 1.00 0.00 C ATOM 1729 OE1 GLU B 56 3.630 14.833 -0.607 1.00 0.00 O ATOM 1730 OE2 GLU B 56 2.518 12.992 -1.075 1.00 0.00 O ATOM 1731 OXT GLU B 56 -0.319 16.692 3.123 1.00 0.00 O ATOM 0 H GLU B 56 -0.280 13.567 2.728 1.00 0.00 H new ATOM 0 HA GLU B 56 2.231 14.691 3.603 1.00 0.00 H new ATOM 0 HB2 GLU B 56 0.636 14.914 1.029 1.00 0.00 H new ATOM 0 HB3 GLU B 56 2.074 15.876 1.308 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.319 13.708 1.825 1.00 0.00 H new ATOM 0 HG3 GLU B 56 1.890 12.833 1.311 1.00 0.00 H new TER 1738 GLU B 56