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: B 49 THR OG1 : rot 26:sc= -2.92! USER MOD Set 1.2: B 51 THR OG1 : rot 76:sc= -0.77 USER MOD Set 2.1: B 8 ASN : amide:sc= -11.8! C(o=-11!,f=-19!) USER MOD Set 2.2: B 55 THR OG1 : rot -62:sc= 0.452 USER MOD Set 3.1: B 1 MET CE :methyl -166:sc= -0.124 (180deg=0) USER MOD Set 3.2: B 1 MET N :NH3+ 172:sc= 0.425! (180deg=0.283) USER MOD Set 3.3: B 3 TYR OH : rot -4:sc= 0.0912 USER MOD Set 4.1: A 8 ASN : amide:sc= -12.9! C(o=-12!,f=-18!) USER MOD Set 4.2: A 55 THR OG1 : rot -99:sc= 0.521 USER MOD Set 5.1: A 49 THR OG1 : rot 32:sc= -2.98! USER MOD Set 5.2: A 51 THR OG1 : rot 74:sc= -0.829 USER MOD Set 6.1: A 1 MET CE :methyl -176:sc= -0.0846 (180deg=0) USER MOD Set 6.2: A 1 MET N :NH3+ 172:sc= 0.34! (180deg=0.0394) USER MOD Set 6.3: A 3 TYR OH : rot 180:sc= -0.0794 USER MOD Single : A 2 GLN :FLIP amide:sc= -2.01! C(o=-3.7!,f=-2!) USER MOD Single : A 4 LYS NZ :NH3+ -138:sc= -1.63 (180deg=-4.27!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -144:sc= 0.8 (180deg=0.0949) USER MOD Single : A 16 THR OG1 : rot 180:sc= -2.08 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -110:sc= -2.86! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.167 F(o=-1.4!,f=-0.17) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.889 K(o=-0.89,f=-2.1!) USER MOD Single : A 37 ASN : amide:sc= -5.4! C(o=-5.4!,f=-6.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0218 USER MOD Single : A 45 TYR OH : rot 4:sc= -0.224 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 2 GLN :FLIP amide:sc= -2.07 F(o=-3.8!,f=-2.1) USER MOD Single : B 4 LYS NZ :NH3+ -141:sc= -1.59 (180deg=-4.21!) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ -157:sc= 0.829 (180deg=-0.0921!) USER MOD Single : B 16 THR OG1 : rot 180:sc= -2.1 USER MOD Single : B 17 THR OG1 : rot 180:sc= -0.281 USER MOD Single : B 18 THR OG1 : rot 113:sc= 0.556 USER MOD Single : B 25 THR OG1 : rot -110:sc= -2.81! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN : amide:sc= -0.693 X(o=-0.69,f=-0.27) USER MOD Single : B 33 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= -6.23! C(o=-6.2!,f=-12!) USER MOD Single : B 37 ASN : amide:sc= -5.93! C(o=-5.9!,f=-5.6!) USER MOD Single : B 44 THR OG1 : rot 180:sc= -0.0516 USER MOD Single : B 45 TYR OH : rot 6:sc= -0.325 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.253 5.657 -18.591 1.00 0.00 N ATOM 2 CA MET A 1 -5.431 6.060 -17.762 1.00 0.00 C ATOM 3 C MET A 1 -5.192 5.673 -16.314 1.00 0.00 C ATOM 4 O MET A 1 -4.057 5.445 -15.898 1.00 0.00 O ATOM 5 CB MET A 1 -6.712 5.384 -18.300 1.00 0.00 C ATOM 6 CG MET A 1 -6.851 3.928 -17.809 1.00 0.00 C ATOM 7 SD MET A 1 -5.239 3.113 -17.809 1.00 0.00 S ATOM 8 CE MET A 1 -5.154 2.743 -19.582 1.00 0.00 C ATOM 0 H1 MET A 1 -4.472 5.798 -19.598 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.431 6.238 -18.331 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.036 4.654 -18.421 1.00 0.00 H new ATOM 0 HA MET A 1 -5.561 7.141 -17.820 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.584 5.957 -17.984 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.699 5.399 -19.390 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.274 3.914 -16.804 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.542 3.384 -18.453 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.252 2.167 -19.791 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.030 2.165 -19.875 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.128 3.675 -20.147 1.00 0.00 H new ATOM 20 N GLN A 2 -6.271 5.609 -15.548 1.00 0.00 N ATOM 21 CA GLN A 2 -6.175 5.245 -14.155 1.00 0.00 C ATOM 22 C GLN A 2 -5.818 3.777 -14.076 1.00 0.00 C ATOM 23 O GLN A 2 -6.384 2.984 -14.799 1.00 0.00 O ATOM 24 CB GLN A 2 -7.529 5.474 -13.470 1.00 0.00 C ATOM 25 CG GLN A 2 -7.372 5.301 -11.961 1.00 0.00 C ATOM 26 CD GLN A 2 -6.646 6.507 -11.393 1.00 0.00 C ATOM 27 OE1 GLN A 2 -5.492 6.342 -10.790 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 -7.151 7.619 -11.478 1.00 0.00 N flip ATOM 0 H GLN A 2 -7.218 5.805 -15.873 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.417 5.850 -13.658 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.898 6.474 -13.696 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.266 4.768 -13.853 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.350 5.196 -11.491 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.814 4.390 -11.743 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.048 7.737 -11.949 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.675 8.427 -11.078 1.00 0.00 H new ATOM 37 N TYR A 3 -4.897 3.412 -13.191 1.00 0.00 N ATOM 38 CA TYR A 3 -4.496 2.013 -13.027 1.00 0.00 C ATOM 39 C TYR A 3 -4.800 1.598 -11.591 1.00 0.00 C ATOM 40 O TYR A 3 -4.877 2.468 -10.734 1.00 0.00 O ATOM 41 CB TYR A 3 -3.009 1.899 -13.327 1.00 0.00 C ATOM 42 CG TYR A 3 -2.771 2.221 -14.784 1.00 0.00 C ATOM 43 CD1 TYR A 3 -2.911 1.224 -15.768 1.00 0.00 C ATOM 44 CD2 TYR A 3 -2.371 3.517 -15.159 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.697 1.536 -17.125 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.141 3.823 -16.513 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.328 2.840 -17.495 1.00 0.00 C ATOM 48 OH TYR A 3 -2.107 3.139 -18.823 1.00 0.00 O ATOM 0 H TYR A 3 -4.412 4.063 -12.574 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.039 1.358 -13.708 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.444 2.583 -12.694 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.656 0.892 -13.102 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.183 0.219 -15.482 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.240 4.279 -14.405 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.817 0.773 -17.880 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.820 4.815 -16.796 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.861 4.084 -18.909 1.00 0.00 H new ATOM 58 N LYS A 4 -4.980 0.300 -11.284 1.00 0.00 N ATOM 59 CA LYS A 4 -5.285 -0.107 -9.904 1.00 0.00 C ATOM 60 C LYS A 4 -4.376 -1.253 -9.468 1.00 0.00 C ATOM 61 O LYS A 4 -3.866 -1.988 -10.301 1.00 0.00 O ATOM 62 CB LYS A 4 -6.752 -0.542 -9.797 1.00 0.00 C ATOM 63 CG LYS A 4 -7.013 -1.180 -8.423 1.00 0.00 C ATOM 64 CD LYS A 4 -8.515 -1.171 -8.095 1.00 0.00 C ATOM 65 CE LYS A 4 -9.343 -1.659 -9.291 1.00 0.00 C ATOM 66 NZ LYS A 4 -9.622 -0.515 -10.207 1.00 0.00 N ATOM 0 H LYS A 4 -4.921 -0.466 -11.955 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.112 0.746 -9.248 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.406 0.319 -9.938 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.987 -1.254 -10.588 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.640 -2.204 -8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.465 -0.636 -7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.706 -1.809 -7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.825 -0.162 -7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.804 -2.442 -9.824 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.279 -2.097 -8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.608 -0.565 -10.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.470 0.380 -9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.983 -0.562 -11.026 1.00 0.00 H new ATOM 80 N LEU A 5 -4.185 -1.376 -8.147 1.00 0.00 N ATOM 81 CA LEU A 5 -3.334 -2.419 -7.546 1.00 0.00 C ATOM 82 C LEU A 5 -4.167 -3.363 -6.692 1.00 0.00 C ATOM 83 O LEU A 5 -4.761 -2.922 -5.731 1.00 0.00 O ATOM 84 CB LEU A 5 -2.279 -1.735 -6.635 1.00 0.00 C ATOM 85 CG LEU A 5 -1.091 -2.666 -6.225 1.00 0.00 C ATOM 86 CD1 LEU A 5 -1.565 -4.033 -5.700 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.105 -2.868 -7.405 1.00 0.00 C ATOM 0 H LEU A 5 -4.616 -0.755 -7.462 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.854 -2.987 -8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.881 -0.861 -7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.773 -1.375 -5.732 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.575 -2.160 -5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.700 -4.639 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.194 -3.887 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.137 -4.542 -6.476 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.710 -3.519 -7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.630 -3.324 -8.244 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.299 -1.903 -7.711 1.00 0.00 H new ATOM 99 N ILE A 6 -4.129 -4.672 -6.985 1.00 0.00 N ATOM 100 CA ILE A 6 -4.810 -5.662 -6.132 1.00 0.00 C ATOM 101 C ILE A 6 -3.717 -6.335 -5.338 1.00 0.00 C ATOM 102 O ILE A 6 -2.722 -6.770 -5.920 1.00 0.00 O ATOM 103 CB ILE A 6 -5.581 -6.721 -6.930 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.611 -6.012 -7.809 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.284 -7.685 -5.959 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.386 -7.026 -8.660 1.00 0.00 C ATOM 0 H ILE A 6 -3.644 -5.066 -7.791 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.551 -5.159 -5.511 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.898 -7.295 -7.557 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.304 -5.449 -7.184 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.110 -5.293 -8.457 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.832 -8.437 -6.526 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.540 -8.175 -5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.979 -7.127 -5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.114 -6.501 -9.278 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.691 -7.570 -9.300 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.904 -7.728 -8.007 1.00 0.00 H new ATOM 118 N LEU A 7 -3.852 -6.391 -4.015 1.00 0.00 N ATOM 119 CA LEU A 7 -2.815 -6.977 -3.172 1.00 0.00 C ATOM 120 C LEU A 7 -3.248 -8.326 -2.621 1.00 0.00 C ATOM 121 O LEU A 7 -4.268 -8.447 -1.947 1.00 0.00 O ATOM 122 CB LEU A 7 -2.468 -6.012 -2.027 1.00 0.00 C ATOM 123 CG LEU A 7 -1.238 -6.518 -1.260 1.00 0.00 C ATOM 124 CD1 LEU A 7 -0.003 -6.559 -2.186 1.00 0.00 C ATOM 125 CD2 LEU A 7 -0.972 -5.578 -0.077 1.00 0.00 C ATOM 0 H LEU A 7 -4.664 -6.040 -3.507 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.927 -7.141 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.272 -5.017 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.316 -5.921 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.428 -7.528 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.860 -6.920 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.198 -7.229 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.202 -5.557 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.100 -5.927 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.787 -4.570 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.840 -5.568 0.582 1.00 0.00 H new ATOM 137 N ASN A 8 -2.397 -9.317 -2.865 1.00 0.00 N ATOM 138 CA ASN A 8 -2.624 -10.659 -2.332 1.00 0.00 C ATOM 139 C ASN A 8 -1.409 -11.080 -1.491 1.00 0.00 C ATOM 140 O ASN A 8 -0.334 -11.345 -2.014 1.00 0.00 O ATOM 141 CB ASN A 8 -2.962 -11.712 -3.439 1.00 0.00 C ATOM 142 CG ASN A 8 -2.846 -11.205 -4.883 1.00 0.00 C ATOM 143 OD1 ASN A 8 -2.568 -12.023 -5.754 1.00 0.00 O ATOM 144 ND2 ASN A 8 -2.952 -9.925 -5.151 1.00 0.00 N ATOM 0 H ASN A 8 -1.549 -9.220 -3.424 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.509 -10.624 -1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.299 -12.568 -3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.979 -12.071 -3.278 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.802 -9.589 -6.102 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.184 -9.266 -4.408 1.00 0.00 H new ATOM 151 N GLY A 9 -1.592 -11.139 -0.175 1.00 0.00 N ATOM 152 CA GLY A 9 -0.498 -11.523 0.713 1.00 0.00 C ATOM 153 C GLY A 9 -1.018 -11.948 2.081 1.00 0.00 C ATOM 154 O GLY A 9 -2.224 -11.948 2.322 1.00 0.00 O ATOM 0 H GLY A 9 -2.473 -10.930 0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.066 -12.341 0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.191 -10.686 0.827 1.00 0.00 H new ATOM 158 N LYS A 10 -0.098 -12.323 2.974 1.00 0.00 N ATOM 159 CA LYS A 10 -0.475 -12.762 4.320 1.00 0.00 C ATOM 160 C LYS A 10 -0.281 -11.627 5.310 1.00 0.00 C ATOM 161 O LYS A 10 -1.194 -11.272 6.052 1.00 0.00 O ATOM 162 CB LYS A 10 0.381 -13.971 4.741 1.00 0.00 C ATOM 163 CG LYS A 10 0.606 -14.906 3.542 1.00 0.00 C ATOM 164 CD LYS A 10 -0.735 -15.465 3.053 1.00 0.00 C ATOM 165 CE LYS A 10 -0.502 -16.379 1.852 1.00 0.00 C ATOM 166 NZ LYS A 10 -1.819 -16.851 1.335 1.00 0.00 N ATOM 0 H LYS A 10 0.905 -12.332 2.791 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.525 -13.054 4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.340 -13.629 5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.114 -14.513 5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.099 -14.364 2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.268 -15.724 3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.224 -16.019 3.855 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.402 -14.648 2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.038 -15.844 1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.115 -17.230 2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.667 -17.474 0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.317 -17.376 2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.392 -16.033 1.046 1.00 0.00 H new ATOM 180 N THR A 11 0.914 -11.058 5.315 1.00 0.00 N ATOM 181 CA THR A 11 1.207 -9.962 6.219 1.00 0.00 C ATOM 182 C THR A 11 0.485 -8.700 5.772 1.00 0.00 C ATOM 183 O THR A 11 0.348 -7.752 6.547 1.00 0.00 O ATOM 184 CB THR A 11 2.720 -9.693 6.291 1.00 0.00 C ATOM 185 OG1 THR A 11 3.398 -10.888 6.649 1.00 0.00 O ATOM 186 CG2 THR A 11 3.010 -8.606 7.338 1.00 0.00 C ATOM 0 H THR A 11 1.687 -11.334 4.710 1.00 0.00 H new ATOM 0 HA THR A 11 0.857 -10.246 7.211 1.00 0.00 H new ATOM 0 HB THR A 11 3.069 -9.353 5.316 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.362 -10.717 6.693 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.083 -8.421 7.383 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.495 -7.686 7.060 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.658 -8.938 8.315 1.00 0.00 H new ATOM 194 N LEU A 12 0.045 -8.666 4.511 1.00 0.00 N ATOM 195 CA LEU A 12 -0.634 -7.477 3.990 1.00 0.00 C ATOM 196 C LEU A 12 -1.635 -7.834 2.893 1.00 0.00 C ATOM 197 O LEU A 12 -1.416 -8.738 2.089 1.00 0.00 O ATOM 198 CB LEU A 12 0.422 -6.505 3.436 1.00 0.00 C ATOM 199 CG LEU A 12 -0.080 -5.043 3.442 1.00 0.00 C ATOM 200 CD1 LEU A 12 -0.430 -4.560 4.880 1.00 0.00 C ATOM 201 CD2 LEU A 12 1.037 -4.151 2.873 1.00 0.00 C ATOM 0 H LEU A 12 0.144 -9.431 3.844 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.191 -7.012 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.332 -6.579 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.684 -6.795 2.418 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.986 -4.982 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.779 -3.528 4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.214 -5.193 5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.457 -4.620 5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.706 -3.113 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.928 -4.244 3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.269 -4.464 1.855 1.00 0.00 H new ATOM 213 N LYS A 13 -2.726 -7.083 2.874 1.00 0.00 N ATOM 214 CA LYS A 13 -3.785 -7.253 1.887 1.00 0.00 C ATOM 215 C LYS A 13 -4.391 -5.879 1.606 1.00 0.00 C ATOM 216 O LYS A 13 -4.401 -5.026 2.494 1.00 0.00 O ATOM 217 CB LYS A 13 -4.872 -8.172 2.437 1.00 0.00 C ATOM 218 CG LYS A 13 -4.281 -9.536 2.800 1.00 0.00 C ATOM 219 CD LYS A 13 -5.400 -10.451 3.286 1.00 0.00 C ATOM 220 CE LYS A 13 -4.826 -11.760 3.813 1.00 0.00 C ATOM 221 NZ LYS A 13 -4.524 -12.665 2.676 1.00 0.00 N ATOM 0 H LYS A 13 -2.904 -6.335 3.545 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.377 -7.694 0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.329 -7.720 3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.662 -8.296 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.787 -9.974 1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.524 -9.423 3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.969 -9.954 4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.093 -10.653 2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.920 -11.566 4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.537 -12.234 4.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.725 -13.647 2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.114 -12.406 1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.520 -12.576 2.419 1.00 0.00 H new ATOM 235 N GLY A 14 -4.909 -5.648 0.398 1.00 0.00 N ATOM 236 CA GLY A 14 -5.520 -4.343 0.099 1.00 0.00 C ATOM 237 C GLY A 14 -5.495 -4.007 -1.394 1.00 0.00 C ATOM 238 O GLY A 14 -5.143 -4.842 -2.228 1.00 0.00 O ATOM 0 H GLY A 14 -4.921 -6.320 -0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.552 -4.340 0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.993 -3.565 0.651 1.00 0.00 H new ATOM 242 N GLU A 15 -5.882 -2.760 -1.722 1.00 0.00 N ATOM 243 CA GLU A 15 -5.904 -2.300 -3.116 1.00 0.00 C ATOM 244 C GLU A 15 -5.431 -0.841 -3.193 1.00 0.00 C ATOM 245 O GLU A 15 -5.965 0.019 -2.493 1.00 0.00 O ATOM 246 CB GLU A 15 -7.328 -2.389 -3.703 1.00 0.00 C ATOM 247 CG GLU A 15 -7.876 -3.817 -3.596 1.00 0.00 C ATOM 248 CD GLU A 15 -9.377 -3.807 -3.866 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.791 -3.561 -5.020 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.135 -3.955 -2.884 1.00 0.00 O ATOM 0 H GLU A 15 -6.181 -2.060 -1.043 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.238 -2.943 -3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.988 -1.702 -3.173 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.315 -2.077 -4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.371 -4.466 -4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.677 -4.221 -2.603 1.00 0.00 H new ATOM 257 N THR A 16 -4.463 -0.546 -4.070 1.00 0.00 N ATOM 258 CA THR A 16 -3.976 0.843 -4.237 1.00 0.00 C ATOM 259 C THR A 16 -4.417 1.337 -5.606 1.00 0.00 C ATOM 260 O THR A 16 -4.787 0.528 -6.453 1.00 0.00 O ATOM 261 CB THR A 16 -2.440 0.939 -4.141 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.863 0.690 -5.411 1.00 0.00 O ATOM 263 CG2 THR A 16 -1.891 -0.075 -3.134 1.00 0.00 C ATOM 0 H THR A 16 -4.004 -1.232 -4.669 1.00 0.00 H new ATOM 0 HA THR A 16 -4.393 1.452 -3.435 1.00 0.00 H new ATOM 0 HB THR A 16 -2.183 1.944 -3.805 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.887 0.754 -5.345 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.806 0.013 -3.084 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.316 0.123 -2.150 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.160 -1.083 -3.450 1.00 0.00 H new ATOM 271 N THR A 17 -4.374 2.648 -5.861 1.00 0.00 N ATOM 272 CA THR A 17 -4.770 3.150 -7.175 1.00 0.00 C ATOM 273 C THR A 17 -3.994 4.420 -7.512 1.00 0.00 C ATOM 274 O THR A 17 -3.907 5.327 -6.690 1.00 0.00 O ATOM 275 CB THR A 17 -6.278 3.434 -7.203 1.00 0.00 C ATOM 276 OG1 THR A 17 -6.963 2.433 -6.462 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.788 3.432 -8.649 1.00 0.00 C ATOM 0 H THR A 17 -4.078 3.361 -5.195 1.00 0.00 H new ATOM 0 HA THR A 17 -4.541 2.389 -7.921 1.00 0.00 H new ATOM 0 HB THR A 17 -6.463 4.413 -6.760 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.926 2.615 -6.479 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.859 3.634 -8.657 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.269 4.202 -9.219 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.599 2.458 -9.100 1.00 0.00 H new ATOM 285 N THR A 18 -3.442 4.497 -8.724 1.00 0.00 N ATOM 286 CA THR A 18 -2.691 5.689 -9.129 1.00 0.00 C ATOM 287 C THR A 18 -2.832 5.935 -10.630 1.00 0.00 C ATOM 288 O THR A 18 -3.062 4.995 -11.396 1.00 0.00 O ATOM 289 CB THR A 18 -1.201 5.514 -8.748 1.00 0.00 C ATOM 290 OG1 THR A 18 -0.611 6.795 -8.590 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.413 4.734 -9.830 1.00 0.00 C ATOM 0 H THR A 18 -3.498 3.764 -9.431 1.00 0.00 H new ATOM 0 HA THR A 18 -3.097 6.556 -8.608 1.00 0.00 H new ATOM 0 HB THR A 18 -1.158 4.944 -7.820 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.333 6.693 -8.347 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.628 4.635 -9.521 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.850 3.744 -9.956 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.461 5.274 -10.775 1.00 0.00 H new ATOM 299 N GLU A 19 -2.652 7.190 -11.063 1.00 0.00 N ATOM 300 CA GLU A 19 -2.713 7.544 -12.473 1.00 0.00 C ATOM 301 C GLU A 19 -1.327 8.044 -12.863 1.00 0.00 C ATOM 302 O GLU A 19 -0.787 8.940 -12.218 1.00 0.00 O ATOM 303 CB GLU A 19 -3.756 8.656 -12.673 1.00 0.00 C ATOM 304 CG GLU A 19 -3.711 9.178 -14.110 1.00 0.00 C ATOM 305 CD GLU A 19 -4.801 10.221 -14.322 1.00 0.00 C ATOM 306 OE1 GLU A 19 -4.942 11.141 -13.484 1.00 0.00 O ATOM 307 OE2 GLU A 19 -5.576 10.034 -15.287 1.00 0.00 O ATOM 0 H GLU A 19 -2.462 7.978 -10.444 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.001 6.692 -13.088 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.752 8.274 -12.449 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.564 9.472 -11.977 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.734 9.615 -14.316 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.845 8.353 -14.809 1.00 0.00 H new ATOM 314 N ALA A 20 -0.732 7.448 -13.884 1.00 0.00 N ATOM 315 CA ALA A 20 0.628 7.824 -14.302 1.00 0.00 C ATOM 316 C ALA A 20 0.613 8.512 -15.653 1.00 0.00 C ATOM 317 O ALA A 20 -0.445 8.664 -16.264 1.00 0.00 O ATOM 318 CB ALA A 20 1.496 6.569 -14.345 1.00 0.00 C ATOM 0 H ALA A 20 -1.157 6.707 -14.441 1.00 0.00 H new ATOM 0 HA ALA A 20 1.042 8.531 -13.583 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.507 6.836 -14.654 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.527 6.114 -13.355 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.075 5.859 -15.057 1.00 0.00 H new ATOM 324 N VAL A 21 1.788 8.912 -16.141 1.00 0.00 N ATOM 325 CA VAL A 21 1.829 9.557 -17.436 1.00 0.00 C ATOM 326 C VAL A 21 1.265 8.595 -18.452 1.00 0.00 C ATOM 327 O VAL A 21 0.456 8.985 -19.296 1.00 0.00 O ATOM 328 CB VAL A 21 3.243 9.997 -17.817 1.00 0.00 C ATOM 329 CG1 VAL A 21 4.205 8.829 -17.694 1.00 0.00 C ATOM 330 CG2 VAL A 21 3.250 10.510 -19.266 1.00 0.00 C ATOM 0 H VAL A 21 2.688 8.803 -15.674 1.00 0.00 H new ATOM 0 HA VAL A 21 1.231 10.468 -17.404 1.00 0.00 H new ATOM 0 HB VAL A 21 3.558 10.793 -17.143 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.209 9.154 -17.968 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.209 8.467 -16.666 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.889 8.026 -18.360 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.258 10.823 -19.536 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.926 9.713 -19.936 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.571 11.358 -19.355 1.00 0.00 H new ATOM 340 N ASP A 22 1.656 7.318 -18.378 1.00 0.00 N ATOM 341 CA ASP A 22 1.133 6.344 -19.303 1.00 0.00 C ATOM 342 C ASP A 22 1.365 4.925 -18.775 1.00 0.00 C ATOM 343 O ASP A 22 1.941 4.707 -17.708 1.00 0.00 O ATOM 344 CB ASP A 22 1.805 6.488 -20.672 1.00 0.00 C ATOM 345 CG ASP A 22 1.153 5.519 -21.651 1.00 0.00 C ATOM 346 OD1 ASP A 22 0.073 5.844 -22.189 1.00 0.00 O ATOM 347 OD2 ASP A 22 1.643 4.368 -21.760 1.00 0.00 O ATOM 0 H ASP A 22 2.321 6.953 -17.696 1.00 0.00 H new ATOM 0 HA ASP A 22 0.062 6.520 -19.407 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.706 7.511 -21.034 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.872 6.280 -20.591 1.00 0.00 H new ATOM 352 N ALA A 23 0.834 3.994 -19.531 1.00 0.00 N ATOM 353 CA ALA A 23 0.891 2.589 -19.178 1.00 0.00 C ATOM 354 C ALA A 23 2.313 2.171 -18.748 1.00 0.00 C ATOM 355 O ALA A 23 2.502 1.497 -17.746 1.00 0.00 O ATOM 356 CB ALA A 23 0.438 1.743 -20.385 1.00 0.00 C ATOM 0 H ALA A 23 0.350 4.185 -20.408 1.00 0.00 H new ATOM 0 HA ALA A 23 0.225 2.420 -18.332 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.479 0.685 -20.124 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.584 2.011 -20.654 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.098 1.934 -21.231 1.00 0.00 H new ATOM 362 N ALA A 24 3.311 2.562 -19.498 1.00 0.00 N ATOM 363 CA ALA A 24 4.669 2.191 -19.161 1.00 0.00 C ATOM 364 C ALA A 24 5.089 2.751 -17.792 1.00 0.00 C ATOM 365 O ALA A 24 5.961 2.189 -17.134 1.00 0.00 O ATOM 366 CB ALA A 24 5.608 2.660 -20.279 1.00 0.00 C ATOM 0 H ALA A 24 3.215 3.132 -20.339 1.00 0.00 H new ATOM 0 HA ALA A 24 4.731 1.106 -19.077 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.633 2.384 -20.033 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.321 2.187 -21.218 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.538 3.743 -20.382 1.00 0.00 H new ATOM 372 N THR A 25 4.456 3.846 -17.357 1.00 0.00 N ATOM 373 CA THR A 25 4.787 4.448 -16.051 1.00 0.00 C ATOM 374 C THR A 25 3.970 3.844 -14.898 1.00 0.00 C ATOM 375 O THR A 25 4.541 3.363 -13.924 1.00 0.00 O ATOM 376 CB THR A 25 4.581 5.961 -16.100 1.00 0.00 C ATOM 377 OG1 THR A 25 5.216 6.465 -17.268 1.00 0.00 O ATOM 378 CG2 THR A 25 5.205 6.619 -14.849 1.00 0.00 C ATOM 0 H THR A 25 3.723 4.330 -17.876 1.00 0.00 H new ATOM 0 HA THR A 25 5.836 4.225 -15.855 1.00 0.00 H new ATOM 0 HB THR A 25 3.515 6.188 -16.122 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.003 6.989 -17.012 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.054 7.698 -14.892 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.729 6.221 -13.953 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.273 6.403 -14.819 1.00 0.00 H new ATOM 386 N ALA A 26 2.644 3.881 -14.993 1.00 0.00 N ATOM 387 CA ALA A 26 1.804 3.334 -13.923 1.00 0.00 C ATOM 388 C ALA A 26 2.248 1.927 -13.602 1.00 0.00 C ATOM 389 O ALA A 26 2.292 1.514 -12.471 1.00 0.00 O ATOM 390 CB ALA A 26 0.346 3.310 -14.373 1.00 0.00 C ATOM 0 H ALA A 26 2.132 4.275 -15.782 1.00 0.00 H new ATOM 0 HA ALA A 26 1.901 3.961 -13.037 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.275 2.903 -13.575 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.020 4.324 -14.605 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.250 2.686 -15.262 1.00 0.00 H new ATOM 396 N GLU A 27 2.665 1.257 -14.623 1.00 0.00 N ATOM 397 CA GLU A 27 3.191 -0.071 -14.463 1.00 0.00 C ATOM 398 C GLU A 27 4.519 0.030 -13.727 1.00 0.00 C ATOM 399 O GLU A 27 4.779 -0.698 -12.762 1.00 0.00 O ATOM 400 CB GLU A 27 3.369 -0.750 -15.822 1.00 0.00 C ATOM 401 CG GLU A 27 2.008 -1.171 -16.438 1.00 0.00 C ATOM 402 CD GLU A 27 0.878 -0.182 -16.100 1.00 0.00 C ATOM 403 OE1 GLU A 27 0.734 0.826 -16.828 1.00 0.00 O ATOM 404 OE2 GLU A 27 0.152 -0.420 -15.110 1.00 0.00 O ATOM 0 H GLU A 27 2.655 1.602 -15.583 1.00 0.00 H new ATOM 0 HA GLU A 27 2.495 -0.681 -13.887 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.882 -0.071 -16.503 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.004 -1.628 -15.709 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.110 -1.245 -17.521 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.739 -2.163 -16.075 1.00 0.00 H new ATOM 411 N LYS A 28 5.340 0.975 -14.167 1.00 0.00 N ATOM 412 CA LYS A 28 6.643 1.193 -13.538 1.00 0.00 C ATOM 413 C LYS A 28 6.523 1.572 -12.058 1.00 0.00 C ATOM 414 O LYS A 28 7.254 1.032 -11.229 1.00 0.00 O ATOM 415 CB LYS A 28 7.392 2.325 -14.253 1.00 0.00 C ATOM 416 CG LYS A 28 8.855 2.382 -13.771 1.00 0.00 C ATOM 417 CD LYS A 28 9.449 3.766 -14.051 1.00 0.00 C ATOM 418 CE LYS A 28 9.256 4.129 -15.524 1.00 0.00 C ATOM 419 NZ LYS A 28 10.041 5.357 -15.841 1.00 0.00 N ATOM 0 H LYS A 28 5.133 1.598 -14.948 1.00 0.00 H new ATOM 0 HA LYS A 28 7.185 0.250 -13.617 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.362 2.167 -15.331 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.899 3.277 -14.057 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.903 2.167 -12.704 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.443 1.616 -14.277 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.969 4.512 -13.418 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.510 3.773 -13.802 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.580 3.304 -16.158 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.199 4.296 -15.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.910 5.604 -16.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.712 6.143 -15.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.049 5.182 -15.657 1.00 0.00 H new ATOM 433 N VAL A 29 5.647 2.520 -11.713 1.00 0.00 N ATOM 434 CA VAL A 29 5.561 2.931 -10.310 1.00 0.00 C ATOM 435 C VAL A 29 5.164 1.757 -9.422 1.00 0.00 C ATOM 436 O VAL A 29 5.895 1.422 -8.494 1.00 0.00 O ATOM 437 CB VAL A 29 4.618 4.130 -10.126 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.192 3.758 -10.486 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.679 4.615 -8.678 1.00 0.00 C ATOM 0 H VAL A 29 5.014 2.999 -12.353 1.00 0.00 H new ATOM 0 HA VAL A 29 6.553 3.260 -9.999 1.00 0.00 H new ATOM 0 HB VAL A 29 4.941 4.930 -10.793 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.544 4.624 -10.347 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.151 3.437 -11.527 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.854 2.945 -9.843 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.009 5.465 -8.551 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.373 3.809 -8.011 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.698 4.917 -8.438 1.00 0.00 H new ATOM 449 N PHE A 30 4.013 1.138 -9.672 1.00 0.00 N ATOM 450 CA PHE A 30 3.618 0.028 -8.798 1.00 0.00 C ATOM 451 C PHE A 30 4.787 -0.962 -8.718 1.00 0.00 C ATOM 452 O PHE A 30 5.026 -1.597 -7.679 1.00 0.00 O ATOM 453 CB PHE A 30 2.389 -0.769 -9.294 1.00 0.00 C ATOM 454 CG PHE A 30 1.120 0.050 -9.388 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.354 0.391 -8.253 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.719 0.510 -10.658 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.801 1.180 -8.393 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.435 1.302 -10.795 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.198 1.626 -9.661 1.00 0.00 C ATOM 0 H PHE A 30 3.366 1.365 -10.427 1.00 0.00 H new ATOM 0 HA PHE A 30 3.356 0.476 -7.840 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.612 -1.188 -10.275 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.218 -1.609 -8.621 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.656 0.045 -7.275 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.301 0.253 -11.531 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.383 1.443 -7.522 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.734 1.660 -11.769 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.093 2.221 -9.767 1.00 0.00 H new ATOM 469 N LYS A 31 5.511 -1.069 -9.837 1.00 0.00 N ATOM 470 CA LYS A 31 6.659 -1.972 -9.940 1.00 0.00 C ATOM 471 C LYS A 31 7.860 -1.475 -9.162 1.00 0.00 C ATOM 472 O LYS A 31 8.808 -2.223 -8.916 1.00 0.00 O ATOM 473 CB LYS A 31 7.022 -2.241 -11.400 1.00 0.00 C ATOM 474 CG LYS A 31 7.901 -3.486 -11.456 1.00 0.00 C ATOM 475 CD LYS A 31 8.140 -3.880 -12.900 1.00 0.00 C ATOM 476 CE LYS A 31 8.849 -5.234 -12.912 1.00 0.00 C ATOM 477 NZ LYS A 31 9.057 -5.678 -14.318 1.00 0.00 N ATOM 0 H LYS A 31 5.320 -0.538 -10.687 1.00 0.00 H new ATOM 0 HA LYS A 31 6.357 -2.915 -9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.120 -2.387 -11.994 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.548 -1.386 -11.824 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.852 -3.294 -10.960 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.422 -4.305 -10.920 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.195 -3.941 -13.439 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.747 -3.128 -13.404 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.808 -5.158 -12.399 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.255 -5.971 -12.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.539 -6.599 -14.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.137 -5.766 -14.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.641 -4.979 -14.820 1.00 0.00 H new ATOM 491 N GLN A 32 7.790 -0.238 -8.722 1.00 0.00 N ATOM 492 CA GLN A 32 8.859 0.306 -7.902 1.00 0.00 C ATOM 493 C GLN A 32 8.640 -0.190 -6.462 1.00 0.00 C ATOM 494 O GLN A 32 9.595 -0.526 -5.756 1.00 0.00 O ATOM 495 CB GLN A 32 8.864 1.860 -7.964 1.00 0.00 C ATOM 496 CG GLN A 32 10.304 2.434 -7.838 1.00 0.00 C ATOM 497 CD GLN A 32 10.968 2.634 -9.212 1.00 0.00 C ATOM 498 OE1 GLN A 32 10.271 2.506 -10.322 1.00 0.00 O flip ATOM 499 NE2 GLN A 32 12.183 2.488 -9.235 1.00 0.00 N flip ATOM 0 H GLN A 32 7.020 0.404 -8.912 1.00 0.00 H new ATOM 0 HA GLN A 32 9.829 -0.029 -8.270 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.422 2.188 -8.905 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.242 2.259 -7.163 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.269 3.387 -7.310 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.912 1.758 -7.237 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.725 2.587 -8.376 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.654 2.268 -10.113 1.00 0.00 H new ATOM 508 N TYR A 33 7.371 -0.173 -6.025 1.00 0.00 N ATOM 509 CA TYR A 33 7.024 -0.549 -4.648 1.00 0.00 C ATOM 510 C TYR A 33 7.024 -2.071 -4.384 1.00 0.00 C ATOM 511 O TYR A 33 7.735 -2.548 -3.502 1.00 0.00 O ATOM 512 CB TYR A 33 5.572 -0.062 -4.344 1.00 0.00 C ATOM 513 CG TYR A 33 5.452 1.460 -4.275 1.00 0.00 C ATOM 514 CD1 TYR A 33 5.873 2.270 -5.352 1.00 0.00 C ATOM 515 CD2 TYR A 33 4.910 2.076 -3.127 1.00 0.00 C ATOM 516 CE1 TYR A 33 5.769 3.671 -5.280 1.00 0.00 C ATOM 517 CE2 TYR A 33 4.800 3.481 -3.059 1.00 0.00 C ATOM 518 CZ TYR A 33 5.227 4.275 -4.136 1.00 0.00 C ATOM 519 OH TYR A 33 5.112 5.653 -4.069 1.00 0.00 O ATOM 0 H TYR A 33 6.574 0.095 -6.602 1.00 0.00 H new ATOM 0 HA TYR A 33 7.787 -0.090 -4.019 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.900 -0.439 -5.115 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.243 -0.490 -3.397 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.279 1.809 -6.240 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.578 1.470 -2.297 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.106 4.281 -6.105 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.387 3.947 -2.177 1.00 0.00 H new ATOM 0 HH TYR A 33 4.716 5.907 -3.209 1.00 0.00 H new ATOM 529 N PHE A 34 6.154 -2.806 -5.089 1.00 0.00 N ATOM 530 CA PHE A 34 6.006 -4.247 -4.795 1.00 0.00 C ATOM 531 C PHE A 34 7.032 -5.148 -5.461 1.00 0.00 C ATOM 532 O PHE A 34 6.693 -6.220 -5.968 1.00 0.00 O ATOM 533 CB PHE A 34 4.592 -4.751 -5.088 1.00 0.00 C ATOM 534 CG PHE A 34 3.596 -3.900 -4.335 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.334 -4.180 -2.979 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.919 -2.840 -4.968 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.424 -3.389 -2.256 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.008 -2.052 -4.245 1.00 0.00 C ATOM 539 CZ PHE A 34 1.764 -2.321 -2.886 1.00 0.00 C ATOM 0 H PHE A 34 5.561 -2.450 -5.839 1.00 0.00 H new ATOM 0 HA PHE A 34 6.199 -4.315 -3.724 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.391 -4.706 -6.158 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.496 -5.795 -4.789 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.834 -5.005 -2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.101 -2.632 -6.012 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.232 -3.603 -1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.494 -1.238 -4.734 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.071 -1.708 -2.329 1.00 0.00 H new ATOM 549 N ASN A 35 8.296 -4.745 -5.405 1.00 0.00 N ATOM 550 CA ASN A 35 9.367 -5.539 -5.943 1.00 0.00 C ATOM 551 C ASN A 35 10.349 -5.838 -4.775 1.00 0.00 C ATOM 552 O ASN A 35 11.380 -6.481 -4.973 1.00 0.00 O ATOM 553 CB ASN A 35 9.975 -4.759 -7.161 1.00 0.00 C ATOM 554 CG ASN A 35 11.425 -4.407 -6.950 1.00 0.00 C ATOM 555 OD1 ASN A 35 11.711 -3.780 -5.938 1.00 0.00 O ATOM 556 ND2 ASN A 35 12.331 -4.631 -7.878 1.00 0.00 N ATOM 0 H ASN A 35 8.594 -3.864 -4.987 1.00 0.00 H new ATOM 0 HA ASN A 35 9.057 -6.507 -6.337 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.878 -5.365 -8.062 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.403 -3.846 -7.327 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.282 -4.281 -7.758 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.083 -5.154 -8.717 1.00 0.00 H new ATOM 563 N ASP A 36 10.017 -5.369 -3.525 1.00 0.00 N ATOM 564 CA ASP A 36 10.927 -5.621 -2.367 1.00 0.00 C ATOM 565 C ASP A 36 10.343 -5.595 -0.934 1.00 0.00 C ATOM 566 O ASP A 36 10.697 -6.423 -0.176 1.00 0.00 O ATOM 567 CB ASP A 36 12.017 -4.591 -2.452 1.00 0.00 C ATOM 568 CG ASP A 36 12.921 -4.488 -1.206 1.00 0.00 C ATOM 569 OD1 ASP A 36 12.487 -3.504 -0.561 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.150 -4.665 -1.393 1.00 0.00 O ATOM 0 H ASP A 36 9.171 -4.843 -3.306 1.00 0.00 H new ATOM 0 HA ASP A 36 11.238 -6.660 -2.479 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.641 -4.816 -3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.562 -3.617 -2.633 1.00 0.00 H new ATOM 575 N ASN A 37 9.389 -4.763 -0.656 1.00 0.00 N ATOM 576 CA ASN A 37 8.683 -4.715 0.666 1.00 0.00 C ATOM 577 C ASN A 37 8.304 -6.136 1.165 1.00 0.00 C ATOM 578 O ASN A 37 7.145 -6.451 1.392 1.00 0.00 O ATOM 579 CB ASN A 37 7.433 -3.858 0.505 1.00 0.00 C ATOM 580 CG ASN A 37 7.050 -3.874 -0.943 1.00 0.00 C ATOM 581 OD1 ASN A 37 6.744 -5.001 -1.306 1.00 0.00 O ATOM 582 ND2 ASN A 37 6.499 -2.851 -1.552 1.00 0.00 N ATOM 0 H ASN A 37 9.045 -4.073 -1.324 1.00 0.00 H new ATOM 0 HA ASN A 37 9.349 -4.283 1.413 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.621 -4.248 1.119 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.624 -2.838 0.838 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.833 -3.006 -2.309 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.737 -1.900 -1.269 1.00 0.00 H new ATOM 589 N GLY A 38 9.315 -6.960 1.321 1.00 0.00 N ATOM 590 CA GLY A 38 9.170 -8.347 1.775 1.00 0.00 C ATOM 591 C GLY A 38 8.019 -9.077 1.074 1.00 0.00 C ATOM 592 O GLY A 38 7.738 -10.243 1.374 1.00 0.00 O ATOM 0 H GLY A 38 10.282 -6.692 1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.101 -8.884 1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.000 -8.358 2.852 1.00 0.00 H new ATOM 596 N VAL A 39 7.358 -8.406 0.133 1.00 0.00 N ATOM 597 CA VAL A 39 6.268 -9.026 -0.589 1.00 0.00 C ATOM 598 C VAL A 39 6.841 -9.765 -1.775 1.00 0.00 C ATOM 599 O VAL A 39 6.517 -10.931 -1.998 1.00 0.00 O ATOM 600 CB VAL A 39 5.243 -7.980 -1.060 1.00 0.00 C ATOM 601 CG1 VAL A 39 4.323 -8.596 -2.137 1.00 0.00 C ATOM 602 CG2 VAL A 39 4.400 -7.521 0.138 1.00 0.00 C ATOM 0 H VAL A 39 7.561 -7.444 -0.140 1.00 0.00 H new ATOM 0 HA VAL A 39 5.747 -9.718 0.073 1.00 0.00 H new ATOM 0 HB VAL A 39 5.768 -7.125 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.599 -7.851 -2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.924 -8.919 -2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.796 -9.453 -1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.672 -6.780 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.878 -8.377 0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.051 -7.080 0.893 1.00 0.00 H new ATOM 612 N ASP A 40 7.706 -9.068 -2.526 1.00 0.00 N ATOM 613 CA ASP A 40 8.353 -9.642 -3.706 1.00 0.00 C ATOM 614 C ASP A 40 7.447 -10.711 -4.329 1.00 0.00 C ATOM 615 O ASP A 40 7.893 -11.801 -4.676 1.00 0.00 O ATOM 616 CB ASP A 40 9.703 -10.240 -3.302 1.00 0.00 C ATOM 617 CG ASP A 40 9.521 -11.477 -2.427 1.00 0.00 C ATOM 618 OD1 ASP A 40 9.376 -11.331 -1.187 1.00 0.00 O ATOM 619 OD2 ASP A 40 9.561 -12.612 -2.960 1.00 0.00 O ATOM 0 H ASP A 40 7.972 -8.102 -2.333 1.00 0.00 H new ATOM 0 HA ASP A 40 8.522 -8.863 -4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.268 -10.504 -4.196 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.287 -9.494 -2.764 1.00 0.00 H new ATOM 624 N GLY A 41 6.152 -10.389 -4.380 1.00 0.00 N ATOM 625 CA GLY A 41 5.129 -11.318 -4.868 1.00 0.00 C ATOM 626 C GLY A 41 5.055 -11.424 -6.392 1.00 0.00 C ATOM 627 O GLY A 41 5.734 -10.697 -7.111 1.00 0.00 O ATOM 0 H GLY A 41 5.785 -9.484 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.326 -12.307 -4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.157 -11.002 -4.489 1.00 0.00 H new ATOM 631 N GLU A 42 4.216 -12.354 -6.873 1.00 0.00 N ATOM 632 CA GLU A 42 4.054 -12.567 -8.312 1.00 0.00 C ATOM 633 C GLU A 42 3.452 -11.341 -8.968 1.00 0.00 C ATOM 634 O GLU A 42 2.636 -10.635 -8.372 1.00 0.00 O ATOM 635 CB GLU A 42 3.196 -13.831 -8.581 1.00 0.00 C ATOM 636 CG GLU A 42 1.702 -13.508 -8.887 1.00 0.00 C ATOM 637 CD GLU A 42 0.825 -14.711 -8.508 1.00 0.00 C ATOM 638 OE1 GLU A 42 1.303 -15.540 -7.702 1.00 0.00 O ATOM 639 OE2 GLU A 42 -0.296 -14.849 -9.047 1.00 0.00 O ATOM 0 H GLU A 42 3.645 -12.964 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 42 5.037 -12.731 -8.753 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.622 -14.379 -9.422 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.248 -14.489 -7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.388 -12.626 -8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.579 -13.275 -9.945 1.00 0.00 H new ATOM 646 N TRP A 43 3.876 -11.095 -10.200 1.00 0.00 N ATOM 647 CA TRP A 43 3.400 -9.945 -10.960 1.00 0.00 C ATOM 648 C TRP A 43 2.485 -10.289 -12.104 1.00 0.00 C ATOM 649 O TRP A 43 2.693 -11.237 -12.858 1.00 0.00 O ATOM 650 CB TRP A 43 4.596 -9.103 -11.458 1.00 0.00 C ATOM 651 CG TRP A 43 4.759 -8.021 -10.515 1.00 0.00 C ATOM 652 CD1 TRP A 43 5.110 -8.165 -9.217 1.00 0.00 C ATOM 653 CD2 TRP A 43 4.534 -6.588 -10.704 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.087 -6.938 -8.583 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.725 -5.933 -9.449 1.00 0.00 C ATOM 656 CE3 TRP A 43 4.173 -5.774 -11.803 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.545 -4.554 -9.285 1.00 0.00 C ATOM 658 CZ3 TRP A 43 4.009 -4.383 -11.653 1.00 0.00 C ATOM 659 CH2 TRP A 43 4.188 -3.777 -10.398 1.00 0.00 C ATOM 0 H TRP A 43 4.550 -11.677 -10.696 1.00 0.00 H new ATOM 0 HA TRP A 43 2.793 -9.362 -10.267 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.500 -9.709 -11.513 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.409 -8.718 -12.461 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.370 -9.101 -8.746 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.310 -6.796 -7.598 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.021 -6.226 -12.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.679 -4.095 -8.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.744 -3.779 -12.508 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.051 -2.711 -10.290 1.00 0.00 H new ATOM 670 N THR A 44 1.502 -9.413 -12.244 1.00 0.00 N ATOM 671 CA THR A 44 0.534 -9.472 -13.335 1.00 0.00 C ATOM 672 C THR A 44 0.266 -8.039 -13.741 1.00 0.00 C ATOM 673 O THR A 44 0.546 -7.144 -12.969 1.00 0.00 O ATOM 674 CB THR A 44 -0.776 -10.131 -12.884 1.00 0.00 C ATOM 675 OG1 THR A 44 -0.484 -11.270 -12.090 1.00 0.00 O ATOM 676 CG2 THR A 44 -1.597 -10.555 -14.108 1.00 0.00 C ATOM 0 H THR A 44 1.350 -8.635 -11.601 1.00 0.00 H new ATOM 0 HA THR A 44 0.926 -10.067 -14.160 1.00 0.00 H new ATOM 0 HB THR A 44 -1.353 -9.416 -12.298 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.321 -11.690 -11.801 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.525 -11.022 -13.779 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.826 -9.678 -14.714 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.023 -11.266 -14.702 1.00 0.00 H new ATOM 684 N TYR A 45 -0.260 -7.784 -14.922 1.00 0.00 N ATOM 685 CA TYR A 45 -0.537 -6.404 -15.313 1.00 0.00 C ATOM 686 C TYR A 45 -1.747 -6.372 -16.228 1.00 0.00 C ATOM 687 O TYR A 45 -1.877 -7.191 -17.135 1.00 0.00 O ATOM 688 CB TYR A 45 0.680 -5.772 -16.003 1.00 0.00 C ATOM 689 CG TYR A 45 0.307 -4.456 -16.671 1.00 0.00 C ATOM 690 CD1 TYR A 45 -0.547 -3.537 -16.038 1.00 0.00 C ATOM 691 CD2 TYR A 45 0.811 -4.160 -17.954 1.00 0.00 C ATOM 692 CE1 TYR A 45 -0.887 -2.324 -16.666 1.00 0.00 C ATOM 693 CE2 TYR A 45 0.480 -2.942 -18.577 1.00 0.00 C ATOM 694 CZ TYR A 45 -0.365 -2.024 -17.932 1.00 0.00 C ATOM 695 OH TYR A 45 -0.685 -0.827 -18.546 1.00 0.00 O ATOM 0 H TYR A 45 -0.502 -8.490 -15.617 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.748 -5.820 -14.417 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.469 -5.601 -15.271 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.079 -6.461 -16.747 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.946 -3.764 -15.060 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.451 -4.868 -18.459 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.548 -1.626 -16.174 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.877 -2.712 -19.555 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.233 -0.285 -17.941 1.00 0.00 H new ATOM 705 N ASP A 46 -2.602 -5.385 -16.024 1.00 0.00 N ATOM 706 CA ASP A 46 -3.774 -5.183 -16.863 1.00 0.00 C ATOM 707 C ASP A 46 -3.791 -3.720 -17.292 1.00 0.00 C ATOM 708 O ASP A 46 -4.002 -2.832 -16.464 1.00 0.00 O ATOM 709 CB ASP A 46 -5.033 -5.586 -16.083 1.00 0.00 C ATOM 710 CG ASP A 46 -6.177 -4.614 -16.331 1.00 0.00 C ATOM 711 OD1 ASP A 46 -6.292 -4.086 -17.464 1.00 0.00 O ATOM 712 OD2 ASP A 46 -6.888 -4.266 -15.357 1.00 0.00 O ATOM 0 H ASP A 46 -2.505 -4.701 -15.274 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.745 -5.805 -17.758 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.338 -6.591 -16.376 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.807 -5.619 -15.017 1.00 0.00 H new ATOM 717 N ASP A 47 -3.570 -3.462 -18.562 1.00 0.00 N ATOM 718 CA ASP A 47 -3.564 -2.090 -19.040 1.00 0.00 C ATOM 719 C ASP A 47 -4.976 -1.582 -19.340 1.00 0.00 C ATOM 720 O ASP A 47 -5.399 -0.536 -18.844 1.00 0.00 O ATOM 721 CB ASP A 47 -2.730 -2.079 -20.321 1.00 0.00 C ATOM 722 CG ASP A 47 -2.717 -0.712 -20.995 1.00 0.00 C ATOM 723 OD1 ASP A 47 -2.398 0.303 -20.334 1.00 0.00 O ATOM 724 OD2 ASP A 47 -2.902 -0.678 -22.234 1.00 0.00 O ATOM 0 H ASP A 47 -3.394 -4.169 -19.276 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.150 -1.433 -18.275 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.707 -2.376 -20.088 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.126 -2.820 -21.016 1.00 0.00 H new ATOM 729 N ALA A 48 -5.641 -2.283 -20.242 1.00 0.00 N ATOM 730 CA ALA A 48 -6.971 -1.895 -20.759 1.00 0.00 C ATOM 731 C ALA A 48 -8.124 -2.171 -19.821 1.00 0.00 C ATOM 732 O ALA A 48 -9.270 -1.845 -20.134 1.00 0.00 O ATOM 733 CB ALA A 48 -7.245 -2.656 -22.048 1.00 0.00 C ATOM 0 H ALA A 48 -5.282 -3.147 -20.649 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.921 -0.815 -20.900 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.224 -2.375 -22.435 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.480 -2.411 -22.785 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.227 -3.727 -21.849 1.00 0.00 H new ATOM 739 N THR A 49 -7.839 -2.729 -18.675 1.00 0.00 N ATOM 740 CA THR A 49 -8.873 -2.995 -17.687 1.00 0.00 C ATOM 741 C THR A 49 -8.353 -2.499 -16.359 1.00 0.00 C ATOM 742 O THR A 49 -8.867 -2.835 -15.292 1.00 0.00 O ATOM 743 CB THR A 49 -9.252 -4.494 -17.659 1.00 0.00 C ATOM 744 OG1 THR A 49 -8.674 -5.130 -16.537 1.00 0.00 O ATOM 745 CG2 THR A 49 -8.768 -5.183 -18.940 1.00 0.00 C ATOM 0 H THR A 49 -6.900 -3.012 -18.394 1.00 0.00 H new ATOM 0 HA THR A 49 -9.797 -2.473 -17.936 1.00 0.00 H new ATOM 0 HB THR A 49 -10.337 -4.572 -17.592 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.619 -4.494 -15.793 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.040 -6.238 -18.911 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.235 -4.712 -19.805 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.685 -5.089 -19.016 1.00 0.00 H new ATOM 753 N LYS A 50 -7.305 -1.667 -16.453 1.00 0.00 N ATOM 754 CA LYS A 50 -6.655 -1.069 -15.301 1.00 0.00 C ATOM 755 C LYS A 50 -6.708 -1.973 -14.098 1.00 0.00 C ATOM 756 O LYS A 50 -7.584 -1.855 -13.243 1.00 0.00 O ATOM 757 CB LYS A 50 -7.236 0.320 -14.982 1.00 0.00 C ATOM 758 CG LYS A 50 -8.716 0.449 -15.390 1.00 0.00 C ATOM 759 CD LYS A 50 -8.848 0.711 -16.907 1.00 0.00 C ATOM 760 CE LYS A 50 -10.168 1.435 -17.190 1.00 0.00 C ATOM 761 NZ LYS A 50 -10.268 1.724 -18.646 1.00 0.00 N ATOM 0 H LYS A 50 -6.889 -1.395 -17.344 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.605 -0.935 -15.560 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.139 0.514 -13.914 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.652 1.082 -15.499 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.251 -0.463 -15.126 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.181 1.263 -14.834 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.009 1.313 -17.257 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.814 -0.231 -17.453 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.009 0.820 -16.871 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.217 2.362 -16.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.163 2.216 -18.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.472 2.327 -18.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.239 0.832 -19.180 1.00 0.00 H new ATOM 775 N THR A 51 -5.706 -2.823 -14.010 1.00 0.00 N ATOM 776 CA THR A 51 -5.589 -3.705 -12.846 1.00 0.00 C ATOM 777 C THR A 51 -4.176 -4.258 -12.666 1.00 0.00 C ATOM 778 O THR A 51 -3.390 -4.369 -13.605 1.00 0.00 O ATOM 779 CB THR A 51 -6.648 -4.816 -12.863 1.00 0.00 C ATOM 780 OG1 THR A 51 -7.899 -4.251 -13.228 1.00 0.00 O ATOM 781 CG2 THR A 51 -6.785 -5.446 -11.470 1.00 0.00 C ATOM 0 H THR A 51 -4.971 -2.929 -14.709 1.00 0.00 H new ATOM 0 HA THR A 51 -5.787 -3.088 -11.969 1.00 0.00 H new ATOM 0 HB THR A 51 -6.346 -5.583 -13.576 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.896 -4.041 -14.185 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.540 -6.232 -11.499 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.828 -5.872 -11.168 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.084 -4.682 -10.753 1.00 0.00 H new ATOM 789 N PHE A 52 -3.914 -4.640 -11.434 1.00 0.00 N ATOM 790 CA PHE A 52 -2.656 -5.253 -11.018 1.00 0.00 C ATOM 791 C PHE A 52 -2.909 -6.369 -10.051 1.00 0.00 C ATOM 792 O PHE A 52 -3.845 -6.311 -9.267 1.00 0.00 O ATOM 793 CB PHE A 52 -1.685 -4.243 -10.398 1.00 0.00 C ATOM 794 CG PHE A 52 -0.667 -3.816 -11.384 1.00 0.00 C ATOM 795 CD1 PHE A 52 0.275 -4.768 -11.816 1.00 0.00 C ATOM 796 CD2 PHE A 52 -0.602 -2.495 -11.867 1.00 0.00 C ATOM 797 CE1 PHE A 52 1.281 -4.403 -12.729 1.00 0.00 C ATOM 798 CE2 PHE A 52 0.411 -2.127 -12.771 1.00 0.00 C ATOM 799 CZ PHE A 52 1.353 -3.079 -13.197 1.00 0.00 C ATOM 0 H PHE A 52 -4.582 -4.533 -10.670 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.188 -5.647 -11.920 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.237 -3.374 -10.040 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.195 -4.688 -9.532 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.225 -5.781 -11.446 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.329 -1.765 -11.544 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.996 -5.137 -13.069 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.465 -1.113 -13.138 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.134 -2.793 -13.886 1.00 0.00 H new ATOM 809 N THR A 53 -2.001 -7.337 -10.047 1.00 0.00 N ATOM 810 CA THR A 53 -2.083 -8.419 -9.082 1.00 0.00 C ATOM 811 C THR A 53 -0.711 -8.668 -8.479 1.00 0.00 C ATOM 812 O THR A 53 0.185 -9.229 -9.108 1.00 0.00 O ATOM 813 CB THR A 53 -2.615 -9.706 -9.731 1.00 0.00 C ATOM 814 OG1 THR A 53 -3.599 -9.369 -10.696 1.00 0.00 O ATOM 815 CG2 THR A 53 -3.248 -10.613 -8.663 1.00 0.00 C ATOM 0 H THR A 53 -1.212 -7.393 -10.691 1.00 0.00 H new ATOM 0 HA THR A 53 -2.781 -8.127 -8.297 1.00 0.00 H new ATOM 0 HB THR A 53 -1.789 -10.234 -10.207 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.941 -10.187 -11.114 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.622 -11.522 -9.133 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.498 -10.873 -7.916 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.073 -10.088 -8.182 1.00 0.00 H new ATOM 823 N VAL A 54 -0.595 -8.288 -7.226 1.00 0.00 N ATOM 824 CA VAL A 54 0.619 -8.502 -6.466 1.00 0.00 C ATOM 825 C VAL A 54 0.321 -9.754 -5.689 1.00 0.00 C ATOM 826 O VAL A 54 -0.732 -9.849 -5.095 1.00 0.00 O ATOM 827 CB VAL A 54 0.936 -7.299 -5.551 1.00 0.00 C ATOM 828 CG1 VAL A 54 2.049 -7.665 -4.556 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.419 -6.125 -6.416 1.00 0.00 C ATOM 0 H VAL A 54 -1.338 -7.822 -6.705 1.00 0.00 H new ATOM 0 HA VAL A 54 1.507 -8.602 -7.090 1.00 0.00 H new ATOM 0 HB VAL A 54 0.035 -7.026 -5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.262 -6.808 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.725 -8.504 -3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.950 -7.943 -5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.645 -5.271 -5.777 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.317 -6.419 -6.960 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.638 -5.851 -7.126 1.00 0.00 H new ATOM 839 N THR A 55 1.248 -10.684 -5.636 1.00 0.00 N ATOM 840 CA THR A 55 0.982 -11.902 -4.861 1.00 0.00 C ATOM 841 C THR A 55 2.168 -12.401 -4.076 1.00 0.00 C ATOM 842 O THR A 55 3.091 -13.000 -4.627 1.00 0.00 O ATOM 843 CB THR A 55 0.466 -13.005 -5.797 1.00 0.00 C ATOM 844 OG1 THR A 55 -0.360 -12.417 -6.792 1.00 0.00 O ATOM 845 CG2 THR A 55 -0.361 -14.041 -5.013 1.00 0.00 C ATOM 0 H THR A 55 2.158 -10.639 -6.094 1.00 0.00 H new ATOM 0 HA THR A 55 0.225 -11.639 -4.122 1.00 0.00 H new ATOM 0 HB THR A 55 1.320 -13.506 -6.253 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.302 -12.534 -6.547 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.717 -14.813 -5.695 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.262 -14.496 -4.242 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.214 -13.548 -4.546 1.00 0.00 H new ATOM 853 N GLU A 56 2.104 -12.190 -2.769 1.00 0.00 N ATOM 854 CA GLU A 56 3.158 -12.655 -1.882 1.00 0.00 C ATOM 855 C GLU A 56 3.498 -14.095 -2.260 1.00 0.00 C ATOM 856 O GLU A 56 2.571 -14.877 -2.402 1.00 0.00 O ATOM 857 CB GLU A 56 2.684 -12.582 -0.421 1.00 0.00 C ATOM 858 CG GLU A 56 3.873 -12.650 0.554 1.00 0.00 C ATOM 859 CD GLU A 56 4.632 -13.962 0.362 1.00 0.00 C ATOM 860 OE1 GLU A 56 3.967 -14.964 0.011 1.00 0.00 O ATOM 861 OE2 GLU A 56 5.879 -13.965 0.436 1.00 0.00 O ATOM 862 OXT GLU A 56 4.670 -14.393 -2.406 1.00 0.00 O ATOM 0 H GLU A 56 1.339 -11.703 -2.303 1.00 0.00 H new ATOM 0 HA GLU A 56 4.043 -12.027 -1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.132 -11.656 -0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.996 -13.403 -0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.541 -11.806 0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.516 -12.574 1.581 1.00 0.00 H new ATOM 870 N MET B 1 -4.783 -7.048 19.148 1.00 0.00 N ATOM 871 CA MET B 1 -5.902 -7.432 18.232 1.00 0.00 C ATOM 872 C MET B 1 -5.614 -6.935 16.829 1.00 0.00 C ATOM 873 O MET B 1 -4.474 -6.643 16.484 1.00 0.00 O ATOM 874 CB MET B 1 -7.235 -6.851 18.752 1.00 0.00 C ATOM 875 CG MET B 1 -7.416 -5.362 18.371 1.00 0.00 C ATOM 876 SD MET B 1 -5.839 -4.488 18.507 1.00 0.00 S ATOM 877 CE MET B 1 -5.855 -4.249 20.302 1.00 0.00 C ATOM 0 H1 MET B 1 -5.046 -7.270 20.129 1.00 0.00 H new ATOM 0 H2 MET B 1 -3.926 -7.578 18.891 1.00 0.00 H new ATOM 0 H3 MET B 1 -4.598 -6.028 19.062 1.00 0.00 H new ATOM 0 HA MET B 1 -5.986 -8.518 18.205 1.00 0.00 H new ATOM 0 HB2 MET B 1 -8.064 -7.431 18.346 1.00 0.00 H new ATOM 0 HB3 MET B 1 -7.275 -6.954 19.836 1.00 0.00 H new ATOM 0 HG2 MET B 1 -7.797 -5.283 17.353 1.00 0.00 H new ATOM 0 HG3 MET B 1 -8.155 -4.899 19.025 1.00 0.00 H new ATOM 0 HE1 MET B 1 -5.098 -3.515 20.578 1.00 0.00 H new ATOM 0 HE2 MET B 1 -6.837 -3.892 20.613 1.00 0.00 H new ATOM 0 HE3 MET B 1 -5.640 -5.196 20.797 1.00 0.00 H new ATOM 889 N GLN B 2 -6.660 -6.839 16.026 1.00 0.00 N ATOM 890 CA GLN B 2 -6.520 -6.369 14.668 1.00 0.00 C ATOM 891 C GLN B 2 -6.227 -4.880 14.704 1.00 0.00 C ATOM 892 O GLN B 2 -6.883 -4.159 15.426 1.00 0.00 O ATOM 893 CB GLN B 2 -7.830 -6.598 13.907 1.00 0.00 C ATOM 894 CG GLN B 2 -7.604 -6.315 12.421 1.00 0.00 C ATOM 895 CD GLN B 2 -6.815 -7.460 11.819 1.00 0.00 C ATOM 896 OE1 GLN B 2 -5.656 -7.235 11.243 1.00 0.00 O flip ATOM 897 NE2 GLN B 2 -7.282 -8.590 11.855 1.00 0.00 N flip ATOM 0 H GLN B 2 -7.613 -7.081 16.296 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.713 -6.907 14.171 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -8.171 -7.624 14.046 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.611 -5.946 14.299 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.560 -6.205 11.908 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -7.064 -5.377 12.294 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -8.183 -8.756 12.304 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -6.771 -9.367 11.436 1.00 0.00 H new ATOM 906 N TYR B 3 -5.253 -4.424 13.922 1.00 0.00 N ATOM 907 CA TYR B 3 -4.897 -2.998 13.873 1.00 0.00 C ATOM 908 C TYR B 3 -5.175 -2.493 12.463 1.00 0.00 C ATOM 909 O TYR B 3 -5.188 -3.312 11.550 1.00 0.00 O ATOM 910 CB TYR B 3 -3.419 -2.861 14.235 1.00 0.00 C ATOM 911 CG TYR B 3 -3.230 -3.271 15.678 1.00 0.00 C ATOM 912 CD1 TYR B 3 -3.474 -2.346 16.711 1.00 0.00 C ATOM 913 CD2 TYR B 3 -2.838 -4.585 16.000 1.00 0.00 C ATOM 914 CE1 TYR B 3 -3.342 -2.744 18.055 1.00 0.00 C ATOM 915 CE2 TYR B 3 -2.712 -4.982 17.344 1.00 0.00 C ATOM 916 CZ TYR B 3 -2.973 -4.060 18.371 1.00 0.00 C ATOM 917 OH TYR B 3 -2.847 -4.444 19.691 1.00 0.00 O ATOM 0 H TYR B 3 -4.692 -5.017 13.311 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.481 -2.407 14.579 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.811 -3.487 13.582 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.088 -1.833 14.089 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -3.762 -1.333 16.473 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -2.633 -5.292 15.210 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -3.526 -2.033 18.847 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -2.416 -5.992 17.585 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.987 -3.668 20.272 1.00 0.00 H new ATOM 927 N LYS B 4 -5.396 -1.180 12.221 1.00 0.00 N ATOM 928 CA LYS B 4 -5.661 -0.709 10.856 1.00 0.00 C ATOM 929 C LYS B 4 -4.790 0.508 10.547 1.00 0.00 C ATOM 930 O LYS B 4 -4.356 1.200 11.458 1.00 0.00 O ATOM 931 CB LYS B 4 -7.142 -0.323 10.714 1.00 0.00 C ATOM 932 CG LYS B 4 -7.368 0.413 9.383 1.00 0.00 C ATOM 933 CD LYS B 4 -8.852 0.373 8.985 1.00 0.00 C ATOM 934 CE LYS B 4 -9.750 0.737 10.176 1.00 0.00 C ATOM 935 NZ LYS B 4 -10.022 -0.483 10.991 1.00 0.00 N ATOM 0 H LYS B 4 -5.395 -0.452 12.935 1.00 0.00 H new ATOM 0 HA LYS B 4 -5.426 -1.510 10.156 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.765 -1.217 10.755 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -7.442 0.313 11.547 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -7.038 1.448 9.474 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -6.764 -0.046 8.601 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.031 1.067 8.164 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -9.108 -0.622 8.622 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -9.266 1.496 10.790 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -10.687 1.165 9.820 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -11.009 -0.469 11.318 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -9.861 -1.331 10.411 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -9.385 -0.500 11.813 1.00 0.00 H new ATOM 949 N LEU B 5 -4.543 0.740 9.254 1.00 0.00 N ATOM 950 CA LEU B 5 -3.713 1.864 8.779 1.00 0.00 C ATOM 951 C LEU B 5 -4.544 2.840 7.957 1.00 0.00 C ATOM 952 O LEU B 5 -5.072 2.450 6.935 1.00 0.00 O ATOM 953 CB LEU B 5 -2.588 1.296 7.874 1.00 0.00 C ATOM 954 CG LEU B 5 -1.425 2.302 7.591 1.00 0.00 C ATOM 955 CD1 LEU B 5 -1.932 3.686 7.143 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.500 2.455 8.826 1.00 0.00 C ATOM 0 H LEU B 5 -4.911 0.156 8.503 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.301 2.388 9.641 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -2.175 0.403 8.344 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -3.023 0.984 6.924 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.853 1.877 6.766 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.082 4.343 6.961 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -2.513 3.582 6.227 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.560 4.114 7.924 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.298 3.161 8.597 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.080 2.825 9.671 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.067 1.487 9.079 1.00 0.00 H new ATOM 968 N ILE B 6 -4.574 4.126 8.349 1.00 0.00 N ATOM 969 CA ILE B 6 -5.255 5.152 7.541 1.00 0.00 C ATOM 970 C ILE B 6 -4.158 5.934 6.850 1.00 0.00 C ATOM 971 O ILE B 6 -3.215 6.382 7.503 1.00 0.00 O ATOM 972 CB ILE B 6 -6.112 6.113 8.377 1.00 0.00 C ATOM 973 CG1 ILE B 6 -7.155 5.299 9.149 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.812 7.118 7.446 1.00 0.00 C ATOM 975 CD1 ILE B 6 -8.007 6.217 10.032 1.00 0.00 C ATOM 0 H ILE B 6 -4.143 4.475 9.205 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.940 4.666 6.847 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.484 6.661 9.079 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.795 4.761 8.450 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.657 4.551 9.766 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.421 7.801 8.039 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -6.063 7.686 6.894 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -7.449 6.581 6.744 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.742 5.622 10.573 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.365 6.735 10.744 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.521 6.948 9.408 1.00 0.00 H new ATOM 987 N LEU B 7 -4.242 6.059 5.529 1.00 0.00 N ATOM 988 CA LEU B 7 -3.198 6.746 4.770 1.00 0.00 C ATOM 989 C LEU B 7 -3.660 8.110 4.292 1.00 0.00 C ATOM 990 O LEU B 7 -4.650 8.238 3.572 1.00 0.00 O ATOM 991 CB LEU B 7 -2.757 5.886 3.578 1.00 0.00 C ATOM 992 CG LEU B 7 -1.517 6.502 2.910 1.00 0.00 C ATOM 993 CD1 LEU B 7 -0.329 6.525 3.896 1.00 0.00 C ATOM 994 CD2 LEU B 7 -1.151 5.668 1.675 1.00 0.00 C ATOM 0 H LEU B 7 -5.012 5.699 4.966 1.00 0.00 H new ATOM 0 HA LEU B 7 -2.348 6.899 5.436 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.533 4.873 3.914 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.569 5.810 2.855 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.739 7.527 2.614 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.541 6.964 3.407 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.593 7.120 4.770 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.095 5.507 4.207 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.272 6.097 1.194 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.935 4.644 1.979 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -1.986 5.670 0.974 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.875 9.118 4.659 1.00 0.00 N ATOM 1007 CA ASN B 8 -3.138 10.486 4.217 1.00 0.00 C ATOM 1008 C ASN B 8 -1.907 11.025 3.468 1.00 0.00 C ATOM 1009 O ASN B 8 -0.865 11.293 4.061 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.562 11.436 5.379 1.00 0.00 C ATOM 1011 CG ASN B 8 -3.464 10.840 6.783 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -3.198 11.618 7.692 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -3.564 9.548 6.987 1.00 0.00 N ATOM 0 H ASN B 8 -2.056 9.016 5.258 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.992 10.458 3.541 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -2.941 12.331 5.339 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.591 11.754 5.209 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -3.419 9.167 7.922 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.787 8.925 6.211 1.00 0.00 H new ATOM 1020 N GLY B 9 -2.034 11.180 2.152 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.920 11.678 1.348 1.00 0.00 C ATOM 1022 C GLY B 9 -1.393 12.184 -0.006 1.00 0.00 C ATOM 1023 O GLY B 9 -2.586 12.162 -0.305 1.00 0.00 O ATOM 0 H GLY B 9 -2.883 10.972 1.626 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.415 12.483 1.882 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.189 10.883 1.205 1.00 0.00 H new ATOM 1027 N LYS B 10 -0.448 12.654 -0.823 1.00 0.00 N ATOM 1028 CA LYS B 10 -0.775 13.179 -2.150 1.00 0.00 C ATOM 1029 C LYS B 10 -0.485 12.132 -3.213 1.00 0.00 C ATOM 1030 O LYS B 10 -1.342 11.812 -4.034 1.00 0.00 O ATOM 1031 CB LYS B 10 0.048 14.449 -2.429 1.00 0.00 C ATOM 1032 CG LYS B 10 0.171 15.293 -1.150 1.00 0.00 C ATOM 1033 CD LYS B 10 -1.213 15.763 -0.695 1.00 0.00 C ATOM 1034 CE LYS B 10 -1.075 16.594 0.579 1.00 0.00 C ATOM 1035 NZ LYS B 10 -2.433 16.974 1.066 1.00 0.00 N ATOM 0 H LYS B 10 0.545 12.682 -0.591 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.836 13.427 -2.179 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.040 14.177 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -0.428 15.034 -3.215 1.00 0.00 H new ATOM 0 HG2 LYS B 10 0.642 14.706 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS B 10 0.814 16.154 -1.333 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.684 16.356 -1.479 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -1.859 14.904 -0.514 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -0.548 16.024 1.344 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -0.483 17.488 0.382 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -2.345 17.540 1.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -2.920 17.532 0.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -2.982 16.114 1.268 1.00 0.00 H new ATOM 1049 N THR B 11 0.728 11.598 -3.191 1.00 0.00 N ATOM 1050 CA THR B 11 1.115 10.585 -4.159 1.00 0.00 C ATOM 1051 C THR B 11 0.459 9.247 -3.829 1.00 0.00 C ATOM 1052 O THR B 11 0.433 8.341 -4.659 1.00 0.00 O ATOM 1053 CB THR B 11 2.639 10.399 -4.180 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.272 11.646 -4.419 1.00 0.00 O ATOM 1055 CG2 THR B 11 3.030 9.406 -5.287 1.00 0.00 C ATOM 0 H THR B 11 1.454 11.847 -2.520 1.00 0.00 H new ATOM 0 HA THR B 11 0.780 10.925 -5.139 1.00 0.00 H new ATOM 0 HB THR B 11 2.961 10.008 -3.215 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.244 11.523 -4.430 1.00 0.00 H new ATOM 0 HG21 THR B 11 4.113 9.279 -5.296 1.00 0.00 H new ATOM 0 HG22 THR B 11 2.553 8.444 -5.098 1.00 0.00 H new ATOM 0 HG23 THR B 11 2.702 9.790 -6.253 1.00 0.00 H new ATOM 1063 N LEU B 12 -0.073 9.129 -2.611 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.722 7.882 -2.204 1.00 0.00 C ATOM 1065 C LEU B 12 -1.800 8.130 -1.158 1.00 0.00 C ATOM 1066 O LEU B 12 -1.674 9.005 -0.299 1.00 0.00 O ATOM 1067 CB LEU B 12 0.347 6.913 -1.667 1.00 0.00 C ATOM 1068 CG LEU B 12 -0.080 5.432 -1.809 1.00 0.00 C ATOM 1069 CD1 LEU B 12 -0.343 5.053 -3.295 1.00 0.00 C ATOM 1070 CD2 LEU B 12 1.054 4.553 -1.258 1.00 0.00 C ATOM 0 H LEU B 12 -0.069 9.864 -1.903 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.214 7.441 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.282 7.073 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.541 7.134 -0.617 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.006 5.277 -1.256 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.641 4.006 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -1.139 5.681 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.566 5.206 -3.876 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.776 3.503 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.966 4.737 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.225 4.795 -0.209 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.839 7.311 -1.223 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.948 7.366 -0.282 1.00 0.00 C ATOM 1084 C LYS B 13 -4.499 5.950 -0.125 1.00 0.00 C ATOM 1085 O LYS B 13 -4.424 5.165 -1.069 1.00 0.00 O ATOM 1086 CB LYS B 13 -5.053 8.271 -0.818 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.512 9.687 -1.044 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.652 10.591 -1.515 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.120 11.968 -1.894 1.00 0.00 C ATOM 1090 NZ LYS B 13 -4.918 12.779 -0.668 1.00 0.00 N ATOM 0 H LYS B 13 -2.937 6.586 -1.934 1.00 0.00 H new ATOM 0 HA LYS B 13 -3.603 7.762 0.673 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -5.442 7.868 -1.753 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.884 8.299 -0.113 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -4.081 10.076 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.714 9.670 -1.787 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -6.152 10.139 -2.372 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -6.397 10.687 -0.726 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.179 11.869 -2.436 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.821 12.469 -2.562 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -4.939 13.790 -0.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -5.676 12.572 0.014 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.998 12.545 -0.244 1.00 0.00 H new ATOM 1104 N GLY B 14 -5.068 5.612 1.032 1.00 0.00 N ATOM 1105 CA GLY B 14 -5.631 4.262 1.205 1.00 0.00 C ATOM 1106 C GLY B 14 -5.662 3.816 2.668 1.00 0.00 C ATOM 1107 O GLY B 14 -5.395 4.602 3.578 1.00 0.00 O ATOM 0 H GLY B 14 -5.153 6.226 1.842 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -6.644 4.241 0.802 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -5.042 3.551 0.625 1.00 0.00 H new ATOM 1111 N GLU B 15 -6.006 2.533 2.884 1.00 0.00 N ATOM 1112 CA GLU B 15 -6.079 1.970 4.235 1.00 0.00 C ATOM 1113 C GLU B 15 -5.568 0.520 4.250 1.00 0.00 C ATOM 1114 O GLU B 15 -6.066 -0.319 3.501 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.533 1.965 4.754 1.00 0.00 C ATOM 1116 CG GLU B 15 -8.133 3.374 4.712 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.638 3.291 4.947 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -10.058 3.042 6.100 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.393 3.408 3.955 1.00 0.00 O ATOM 0 H GLU B 15 -6.236 1.873 2.141 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.457 2.595 4.875 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -8.137 1.290 4.148 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.558 1.585 5.775 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.669 4.002 5.473 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.929 3.839 3.748 1.00 0.00 H new ATOM 1126 N THR B 16 -4.589 0.219 5.112 1.00 0.00 N ATOM 1127 CA THR B 16 -4.051 -1.160 5.209 1.00 0.00 C ATOM 1128 C THR B 16 -4.553 -1.781 6.503 1.00 0.00 C ATOM 1129 O THR B 16 -5.024 -1.059 7.376 1.00 0.00 O ATOM 1130 CB THR B 16 -2.511 -1.187 5.191 1.00 0.00 C ATOM 1131 OG1 THR B 16 -2.011 -1.009 6.504 1.00 0.00 O ATOM 1132 CG2 THR B 16 -1.959 -0.080 4.288 1.00 0.00 C ATOM 0 H THR B 16 -4.155 0.891 5.745 1.00 0.00 H new ATOM 0 HA THR B 16 -4.395 -1.724 4.342 1.00 0.00 H new ATOM 0 HB THR B 16 -2.191 -2.154 4.801 1.00 0.00 H new ATOM 0 HG1 THR B 16 -1.031 -1.029 6.486 1.00 0.00 H new ATOM 0 HG21 THR B 16 -0.870 -0.118 4.290 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.325 -0.224 3.271 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.289 0.890 4.659 1.00 0.00 H new ATOM 1140 N THR B 17 -4.444 -3.105 6.678 1.00 0.00 N ATOM 1141 CA THR B 17 -4.889 -3.719 7.929 1.00 0.00 C ATOM 1142 C THR B 17 -4.090 -4.993 8.218 1.00 0.00 C ATOM 1143 O THR B 17 -3.956 -5.852 7.354 1.00 0.00 O ATOM 1144 CB THR B 17 -6.387 -4.052 7.863 1.00 0.00 C ATOM 1145 OG1 THR B 17 -7.071 -3.023 7.162 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.965 -4.170 9.280 1.00 0.00 C ATOM 0 H THR B 17 -4.062 -3.753 5.989 1.00 0.00 H new ATOM 0 HA THR B 17 -4.719 -3.005 8.735 1.00 0.00 H new ATOM 0 HB THR B 17 -6.516 -5.002 7.344 1.00 0.00 H new ATOM 0 HG1 THR B 17 -8.027 -3.236 7.119 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.027 -4.406 9.221 1.00 0.00 H new ATOM 0 HG22 THR B 17 -6.446 -4.962 9.820 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.832 -3.225 9.807 1.00 0.00 H new ATOM 1154 N THR B 18 -3.562 -5.112 9.431 1.00 0.00 N ATOM 1155 CA THR B 18 -2.783 -6.303 9.797 1.00 0.00 C ATOM 1156 C THR B 18 -2.998 -6.661 11.261 1.00 0.00 C ATOM 1157 O THR B 18 -3.319 -5.787 12.070 1.00 0.00 O ATOM 1158 CB THR B 18 -1.287 -6.046 9.514 1.00 0.00 C ATOM 1159 OG1 THR B 18 -0.640 -7.291 9.301 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.587 -5.307 10.686 1.00 0.00 C ATOM 0 H THR B 18 -3.653 -4.415 10.170 1.00 0.00 H new ATOM 0 HA THR B 18 -3.121 -7.146 9.195 1.00 0.00 H new ATOM 0 HB THR B 18 -1.218 -5.410 8.631 1.00 0.00 H new ATOM 0 HG1 THR B 18 -0.351 -7.354 8.367 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.463 -5.149 10.441 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.071 -4.344 10.850 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.661 -5.909 11.592 1.00 0.00 H new ATOM 1168 N GLU B 19 -2.775 -7.927 11.635 1.00 0.00 N ATOM 1169 CA GLU B 19 -2.899 -8.364 13.016 1.00 0.00 C ATOM 1170 C GLU B 19 -1.519 -8.864 13.440 1.00 0.00 C ATOM 1171 O GLU B 19 -0.931 -9.708 12.768 1.00 0.00 O ATOM 1172 CB GLU B 19 -3.904 -9.527 13.086 1.00 0.00 C ATOM 1173 CG GLU B 19 -3.975 -10.105 14.511 1.00 0.00 C ATOM 1174 CD GLU B 19 -4.907 -11.308 14.526 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -4.403 -12.419 14.248 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -6.135 -11.134 14.689 1.00 0.00 O ATOM 0 H GLU B 19 -2.505 -8.667 10.987 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.245 -7.557 13.662 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.891 -9.179 12.780 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -3.611 -10.309 12.386 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -2.980 -10.398 14.846 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.334 -9.345 15.205 1.00 0.00 H new ATOM 1183 N ALA B 20 -0.978 -8.311 14.514 1.00 0.00 N ATOM 1184 CA ALA B 20 0.374 -8.681 14.959 1.00 0.00 C ATOM 1185 C ALA B 20 0.325 -9.461 16.261 1.00 0.00 C ATOM 1186 O ALA B 20 -0.751 -9.686 16.812 1.00 0.00 O ATOM 1187 CB ALA B 20 1.188 -7.409 15.134 1.00 0.00 C ATOM 0 H ALA B 20 -1.441 -7.611 15.094 1.00 0.00 H new ATOM 0 HA ALA B 20 0.839 -9.323 14.211 1.00 0.00 H new ATOM 0 HB1 ALA B 20 2.195 -7.664 15.464 1.00 0.00 H new ATOM 0 HB2 ALA B 20 1.241 -6.878 14.184 1.00 0.00 H new ATOM 0 HB3 ALA B 20 0.712 -6.772 15.880 1.00 0.00 H new ATOM 1193 N VAL B 21 1.489 -9.868 16.764 1.00 0.00 N ATOM 1194 CA VAL B 21 1.502 -10.605 18.012 1.00 0.00 C ATOM 1195 C VAL B 21 0.857 -9.744 19.079 1.00 0.00 C ATOM 1196 O VAL B 21 0.045 -10.228 19.867 1.00 0.00 O ATOM 1197 CB VAL B 21 2.918 -11.022 18.427 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.832 -9.811 18.433 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.885 -11.642 19.832 1.00 0.00 C ATOM 0 H VAL B 21 2.402 -9.705 16.340 1.00 0.00 H new ATOM 0 HA VAL B 21 0.940 -11.530 17.881 1.00 0.00 H new ATOM 0 HB VAL B 21 3.295 -11.755 17.714 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.836 -10.115 18.729 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.864 -9.374 17.435 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.453 -9.073 19.140 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.893 -11.937 20.123 1.00 0.00 H new ATOM 0 HG22 VAL B 21 2.501 -10.911 20.543 1.00 0.00 H new ATOM 0 HG23 VAL B 21 2.237 -12.519 19.828 1.00 0.00 H new ATOM 1209 N ASP B 22 1.181 -8.452 19.094 1.00 0.00 N ATOM 1210 CA ASP B 22 0.579 -7.564 20.062 1.00 0.00 C ATOM 1211 C ASP B 22 0.753 -6.111 19.648 1.00 0.00 C ATOM 1212 O ASP B 22 1.342 -5.798 18.621 1.00 0.00 O ATOM 1213 CB ASP B 22 1.186 -7.794 21.446 1.00 0.00 C ATOM 1214 CG ASP B 22 0.500 -6.899 22.468 1.00 0.00 C ATOM 1215 OD1 ASP B 22 0.988 -5.758 22.652 1.00 0.00 O ATOM 1216 OD2 ASP B 22 -0.542 -7.292 23.046 1.00 0.00 O ATOM 0 H ASP B 22 1.845 -8.012 18.457 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.488 -7.783 20.104 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.074 -8.840 21.732 1.00 0.00 H new ATOM 0 HB3 ASP B 22 2.255 -7.582 21.424 1.00 0.00 H new ATOM 1221 N ALA B 23 0.185 -5.247 20.454 1.00 0.00 N ATOM 1222 CA ALA B 23 0.204 -3.825 20.188 1.00 0.00 C ATOM 1223 C ALA B 23 1.628 -3.340 19.842 1.00 0.00 C ATOM 1224 O ALA B 23 1.839 -2.611 18.887 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.329 -3.085 21.432 1.00 0.00 C ATOM 0 H ALA B 23 -0.303 -5.507 21.311 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.430 -3.613 19.327 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.321 -2.011 21.248 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.348 -3.410 21.640 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.305 -3.311 22.289 1.00 0.00 H new ATOM 1231 N ALA B 24 2.601 -3.717 20.632 1.00 0.00 N ATOM 1232 CA ALA B 24 3.959 -3.275 20.390 1.00 0.00 C ATOM 1233 C ALA B 24 4.471 -3.735 19.014 1.00 0.00 C ATOM 1234 O ALA B 24 5.359 -3.113 18.451 1.00 0.00 O ATOM 1235 CB ALA B 24 4.864 -3.787 21.512 1.00 0.00 C ATOM 0 H ALA B 24 2.485 -4.324 21.443 1.00 0.00 H new ATOM 0 HA ALA B 24 3.974 -2.185 20.383 1.00 0.00 H new ATOM 0 HB1 ALA B 24 5.887 -3.456 21.334 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.517 -3.394 22.467 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.834 -4.876 21.536 1.00 0.00 H new ATOM 1241 N THR B 25 3.887 -4.804 18.468 1.00 0.00 N ATOM 1242 CA THR B 25 4.302 -5.300 17.137 1.00 0.00 C ATOM 1243 C THR B 25 3.515 -4.662 15.984 1.00 0.00 C ATOM 1244 O THR B 25 4.108 -4.118 15.054 1.00 0.00 O ATOM 1245 CB THR B 25 4.168 -6.821 17.070 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.771 -7.382 18.230 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.877 -7.359 15.811 1.00 0.00 C ATOM 0 H THR B 25 3.139 -5.339 18.909 1.00 0.00 H new ATOM 0 HA THR B 25 5.346 -5.011 17.013 1.00 0.00 H new ATOM 0 HB THR B 25 3.114 -7.094 17.024 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.594 -7.851 17.977 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.776 -8.444 15.772 1.00 0.00 H new ATOM 0 HG22 THR B 25 4.423 -6.920 14.922 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.934 -7.094 15.847 1.00 0.00 H new ATOM 1255 N ALA B 26 2.186 -4.723 16.037 1.00 0.00 N ATOM 1256 CA ALA B 26 1.376 -4.141 14.969 1.00 0.00 C ATOM 1257 C ALA B 26 1.786 -2.710 14.762 1.00 0.00 C ATOM 1258 O ALA B 26 1.884 -2.225 13.661 1.00 0.00 O ATOM 1259 CB ALA B 26 -0.099 -4.199 15.343 1.00 0.00 C ATOM 0 H ALA B 26 1.656 -5.160 16.791 1.00 0.00 H new ATOM 0 HA ALA B 26 1.531 -4.706 14.050 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.695 -3.763 14.541 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.396 -5.237 15.493 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -0.263 -3.638 16.263 1.00 0.00 H new ATOM 1265 N GLU B 27 2.098 -2.077 15.843 1.00 0.00 N ATOM 1266 CA GLU B 27 2.573 -0.721 15.792 1.00 0.00 C ATOM 1267 C GLU B 27 3.934 -0.735 15.102 1.00 0.00 C ATOM 1268 O GLU B 27 4.204 0.066 14.201 1.00 0.00 O ATOM 1269 CB GLU B 27 2.669 -0.139 17.202 1.00 0.00 C ATOM 1270 CG GLU B 27 1.269 0.174 17.787 1.00 0.00 C ATOM 1271 CD GLU B 27 0.197 -0.839 17.352 1.00 0.00 C ATOM 1272 OE1 GLU B 27 0.090 -1.890 18.021 1.00 0.00 O ATOM 1273 OE2 GLU B 27 -0.519 -0.582 16.360 1.00 0.00 O ATOM 0 H GLU B 27 2.035 -2.473 16.781 1.00 0.00 H new ATOM 0 HA GLU B 27 1.883 -0.089 15.233 1.00 0.00 H new ATOM 0 HB2 GLU B 27 3.186 -0.844 17.853 1.00 0.00 H new ATOM 0 HB3 GLU B 27 3.267 0.772 17.180 1.00 0.00 H new ATOM 0 HG2 GLU B 27 1.330 0.185 18.875 1.00 0.00 H new ATOM 0 HG3 GLU B 27 0.965 1.173 17.474 1.00 0.00 H new ATOM 1280 N LYS B 28 4.785 -1.659 15.537 1.00 0.00 N ATOM 1281 CA LYS B 28 6.129 -1.784 14.964 1.00 0.00 C ATOM 1282 C LYS B 28 6.105 -2.074 13.453 1.00 0.00 C ATOM 1283 O LYS B 28 6.879 -1.477 12.706 1.00 0.00 O ATOM 1284 CB LYS B 28 6.893 -2.930 15.636 1.00 0.00 C ATOM 1285 CG LYS B 28 8.377 -2.897 15.217 1.00 0.00 C ATOM 1286 CD LYS B 28 9.018 -4.274 15.424 1.00 0.00 C ATOM 1287 CE LYS B 28 8.774 -4.755 16.855 1.00 0.00 C ATOM 1288 NZ LYS B 28 9.598 -5.970 17.117 1.00 0.00 N ATOM 0 H LYS B 28 4.575 -2.328 16.277 1.00 0.00 H new ATOM 0 HA LYS B 28 6.618 -0.825 15.136 1.00 0.00 H new ATOM 0 HB2 LYS B 28 6.811 -2.845 16.720 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.450 -3.886 15.357 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.460 -2.603 14.171 1.00 0.00 H new ATOM 0 HG3 LYS B 28 8.911 -2.148 15.802 1.00 0.00 H new ATOM 0 HD2 LYS B 28 8.600 -4.989 14.715 1.00 0.00 H new ATOM 0 HD3 LYS B 28 10.089 -4.219 15.228 1.00 0.00 H new ATOM 0 HE2 LYS B 28 9.031 -3.968 17.564 1.00 0.00 H new ATOM 0 HE3 LYS B 28 7.717 -4.981 16.999 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 9.433 -6.298 18.090 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 9.332 -6.721 16.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 10.605 -5.739 16.996 1.00 0.00 H new ATOM 1302 N VAL B 29 5.263 -3.005 13.006 1.00 0.00 N ATOM 1303 CA VAL B 29 5.260 -3.334 11.574 1.00 0.00 C ATOM 1304 C VAL B 29 4.857 -2.125 10.738 1.00 0.00 C ATOM 1305 O VAL B 29 5.611 -1.708 9.863 1.00 0.00 O ATOM 1306 CB VAL B 29 4.382 -4.549 11.263 1.00 0.00 C ATOM 1307 CG1 VAL B 29 2.925 -4.259 11.571 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.536 -4.928 9.789 1.00 0.00 C ATOM 0 H VAL B 29 4.601 -3.526 13.581 1.00 0.00 H new ATOM 0 HA VAL B 29 6.280 -3.607 11.302 1.00 0.00 H new ATOM 0 HB VAL B 29 4.704 -5.379 11.891 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.323 -5.138 11.341 1.00 0.00 H new ATOM 0 HG12 VAL B 29 2.819 -4.012 12.627 1.00 0.00 H new ATOM 0 HG13 VAL B 29 2.586 -3.418 10.966 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.911 -5.793 9.568 1.00 0.00 H new ATOM 0 HG22 VAL B 29 4.229 -4.090 9.164 1.00 0.00 H new ATOM 0 HG23 VAL B 29 5.578 -5.172 9.583 1.00 0.00 H new ATOM 1318 N PHE B 30 3.679 -1.557 10.984 1.00 0.00 N ATOM 1319 CA PHE B 30 3.284 -0.406 10.169 1.00 0.00 C ATOM 1320 C PHE B 30 4.417 0.625 10.209 1.00 0.00 C ATOM 1321 O PHE B 30 4.693 1.321 9.219 1.00 0.00 O ATOM 1322 CB PHE B 30 2.007 0.309 10.665 1.00 0.00 C ATOM 1323 CG PHE B 30 0.767 -0.561 10.649 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.052 -0.850 9.466 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.330 -1.110 11.871 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -1.083 -1.679 9.506 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.809 -1.934 11.911 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.520 -2.210 10.730 1.00 0.00 C ATOM 0 H PHE B 30 3.013 -1.851 11.698 1.00 0.00 H new ATOM 0 HA PHE B 30 3.082 -0.793 9.170 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.175 0.666 11.681 1.00 0.00 H new ATOM 0 HB3 PHE B 30 1.830 1.187 10.044 1.00 0.00 H new ATOM 0 HD1 PHE B 30 0.379 -0.432 8.525 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.872 -0.897 12.781 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.618 -1.907 8.596 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.138 -2.355 12.850 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.403 -2.831 10.764 1.00 0.00 H new ATOM 1338 N LYS B 31 5.063 0.719 11.380 1.00 0.00 N ATOM 1339 CA LYS B 31 6.154 1.664 11.600 1.00 0.00 C ATOM 1340 C LYS B 31 7.399 1.290 10.847 1.00 0.00 C ATOM 1341 O LYS B 31 8.311 2.099 10.696 1.00 0.00 O ATOM 1342 CB LYS B 31 6.451 1.833 13.087 1.00 0.00 C ATOM 1343 CG LYS B 31 7.277 3.101 13.276 1.00 0.00 C ATOM 1344 CD LYS B 31 7.436 3.389 14.754 1.00 0.00 C ATOM 1345 CE LYS B 31 8.088 4.762 14.910 1.00 0.00 C ATOM 1346 NZ LYS B 31 8.204 5.093 16.357 1.00 0.00 N ATOM 0 H LYS B 31 4.842 0.144 12.193 1.00 0.00 H new ATOM 0 HA LYS B 31 5.817 2.623 11.206 1.00 0.00 H new ATOM 0 HB2 LYS B 31 5.522 1.898 13.653 1.00 0.00 H new ATOM 0 HB3 LYS B 31 6.995 0.967 13.465 1.00 0.00 H new ATOM 0 HG2 LYS B 31 8.256 2.982 12.811 1.00 0.00 H new ATOM 0 HG3 LYS B 31 6.790 3.941 12.782 1.00 0.00 H new ATOM 0 HD2 LYS B 31 6.466 3.371 15.250 1.00 0.00 H new ATOM 0 HD3 LYS B 31 8.050 2.622 15.226 1.00 0.00 H new ATOM 0 HE2 LYS B 31 9.074 4.764 14.445 1.00 0.00 H new ATOM 0 HE3 LYS B 31 7.493 5.519 14.399 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 8.648 6.027 16.465 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 7.257 5.108 16.787 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 8.788 4.375 16.831 1.00 0.00 H new ATOM 1360 N GLN B 32 7.419 0.098 10.319 1.00 0.00 N ATOM 1361 CA GLN B 32 8.559 -0.297 9.526 1.00 0.00 C ATOM 1362 C GLN B 32 8.374 0.242 8.108 1.00 0.00 C ATOM 1363 O GLN B 32 9.340 0.634 7.453 1.00 0.00 O ATOM 1364 CB GLN B 32 8.711 -1.824 9.506 1.00 0.00 C ATOM 1365 CG GLN B 32 10.224 -2.219 9.449 1.00 0.00 C ATOM 1366 CD GLN B 32 10.736 -2.823 10.778 1.00 0.00 C ATOM 1367 OE1 GLN B 32 11.549 -3.707 10.532 1.00 0.00 O ATOM 1368 NE2 GLN B 32 9.931 -2.917 11.814 1.00 0.00 N ATOM 0 H GLN B 32 6.684 -0.602 10.416 1.00 0.00 H new ATOM 0 HA GLN B 32 9.468 0.116 9.964 1.00 0.00 H new ATOM 0 HB2 GLN B 32 8.249 -2.254 10.395 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.188 -2.237 8.644 1.00 0.00 H new ATOM 0 HG2 GLN B 32 10.377 -2.939 8.645 1.00 0.00 H new ATOM 0 HG3 GLN B 32 10.816 -1.337 9.204 1.00 0.00 H new ATOM 0 HE21 GLN B 32 9.259 -2.174 12.007 1.00 0.00 H new ATOM 0 HE22 GLN B 32 9.978 -3.733 12.424 1.00 0.00 H new ATOM 1377 N TYR B 33 7.127 0.213 7.623 1.00 0.00 N ATOM 1378 CA TYR B 33 6.846 0.653 6.260 1.00 0.00 C ATOM 1379 C TYR B 33 6.775 2.183 6.105 1.00 0.00 C ATOM 1380 O TYR B 33 7.528 2.747 5.317 1.00 0.00 O ATOM 1381 CB TYR B 33 5.464 0.117 5.810 1.00 0.00 C ATOM 1382 CG TYR B 33 5.428 -1.396 5.634 1.00 0.00 C ATOM 1383 CD1 TYR B 33 5.809 -2.253 6.689 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.919 -1.961 4.445 1.00 0.00 C ATOM 1385 CE1 TYR B 33 5.714 -3.649 6.545 1.00 0.00 C ATOM 1386 CE2 TYR B 33 4.826 -3.359 4.304 1.00 0.00 C ATOM 1387 CZ TYR B 33 5.229 -4.204 5.352 1.00 0.00 C ATOM 1388 OH TYR B 33 5.153 -5.571 5.192 1.00 0.00 O ATOM 0 H TYR B 33 6.312 -0.106 8.147 1.00 0.00 H new ATOM 0 HA TYR B 33 7.671 0.270 5.660 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.713 0.407 6.545 1.00 0.00 H new ATOM 0 HB3 TYR B 33 5.188 0.591 4.868 1.00 0.00 H new ATOM 0 HD1 TYR B 33 6.176 -1.834 7.614 1.00 0.00 H new ATOM 0 HD2 TYR B 33 4.599 -1.318 3.639 1.00 0.00 H new ATOM 0 HE1 TYR B 33 6.016 -4.296 7.356 1.00 0.00 H new ATOM 0 HE2 TYR B 33 4.444 -3.783 3.387 1.00 0.00 H new ATOM 0 HH TYR B 33 4.793 -5.777 4.304 1.00 0.00 H new ATOM 1398 N PHE B 34 5.835 2.850 6.806 1.00 0.00 N ATOM 1399 CA PHE B 34 5.658 4.311 6.596 1.00 0.00 C ATOM 1400 C PHE B 34 6.642 5.196 7.361 1.00 0.00 C ATOM 1401 O PHE B 34 6.261 6.231 7.908 1.00 0.00 O ATOM 1402 CB PHE B 34 4.200 4.764 6.861 1.00 0.00 C ATOM 1403 CG PHE B 34 3.265 3.919 6.018 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.087 4.193 4.646 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.641 2.793 6.589 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.300 3.343 3.850 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.856 1.942 5.790 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.685 2.217 4.422 1.00 0.00 C ATOM 0 H PHE B 34 5.210 2.429 7.493 1.00 0.00 H new ATOM 0 HA PHE B 34 5.889 4.456 5.541 1.00 0.00 H new ATOM 0 HB2 PHE B 34 3.957 4.655 7.918 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.082 5.819 6.614 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.557 5.060 4.205 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.765 2.583 7.641 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.168 3.555 2.799 1.00 0.00 H new ATOM 0 HE2 PHE B 34 1.384 1.075 6.229 1.00 0.00 H new ATOM 0 HZ PHE B 34 1.081 1.563 3.811 1.00 0.00 H new ATOM 1418 N ASN B 35 7.919 4.805 7.366 1.00 0.00 N ATOM 1419 CA ASN B 35 8.956 5.577 8.014 1.00 0.00 C ATOM 1420 C ASN B 35 9.932 6.026 6.916 1.00 0.00 C ATOM 1421 O ASN B 35 10.807 6.867 7.116 1.00 0.00 O ATOM 1422 CB ASN B 35 9.579 4.676 9.126 1.00 0.00 C ATOM 1423 CG ASN B 35 11.118 4.682 9.157 1.00 0.00 C ATOM 1424 OD1 ASN B 35 11.707 5.399 8.355 1.00 0.00 O ATOM 1425 ND2 ASN B 35 11.662 4.353 10.309 1.00 0.00 N ATOM 0 H ASN B 35 8.251 3.949 6.921 1.00 0.00 H new ATOM 0 HA ASN B 35 8.605 6.481 8.512 1.00 0.00 H new ATOM 0 HB2 ASN B 35 9.206 5.006 10.096 1.00 0.00 H new ATOM 0 HB3 ASN B 35 9.234 3.652 8.983 1.00 0.00 H new ATOM 0 HD21 ASN B 35 12.592 4.696 10.550 1.00 0.00 H new ATOM 0 HD22 ASN B 35 11.154 3.755 10.961 1.00 0.00 H new ATOM 1432 N ASP B 36 9.709 5.484 5.726 1.00 0.00 N ATOM 1433 CA ASP B 36 10.485 5.803 4.538 1.00 0.00 C ATOM 1434 C ASP B 36 9.426 5.873 3.430 1.00 0.00 C ATOM 1435 O ASP B 36 8.577 6.714 3.533 1.00 0.00 O ATOM 1436 CB ASP B 36 11.601 4.726 4.359 1.00 0.00 C ATOM 1437 CG ASP B 36 12.677 5.291 3.446 1.00 0.00 C ATOM 1438 OD1 ASP B 36 12.430 5.195 2.223 1.00 0.00 O ATOM 1439 OD2 ASP B 36 13.254 6.284 3.948 1.00 0.00 O ATOM 0 H ASP B 36 8.972 4.800 5.558 1.00 0.00 H new ATOM 0 HA ASP B 36 11.038 6.742 4.560 1.00 0.00 H new ATOM 0 HB2 ASP B 36 12.027 4.458 5.326 1.00 0.00 H new ATOM 0 HB3 ASP B 36 11.182 3.815 3.932 1.00 0.00 H new ATOM 1444 N ASN B 37 9.505 5.190 2.321 1.00 0.00 N ATOM 1445 CA ASN B 37 8.515 5.346 1.212 1.00 0.00 C ATOM 1446 C ASN B 37 8.198 6.788 0.881 1.00 0.00 C ATOM 1447 O ASN B 37 7.068 7.119 0.536 1.00 0.00 O ATOM 1448 CB ASN B 37 7.189 4.568 1.438 1.00 0.00 C ATOM 1449 CG ASN B 37 7.322 3.705 2.633 1.00 0.00 C ATOM 1450 OD1 ASN B 37 8.295 2.964 2.545 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.326 3.415 3.441 1.00 0.00 N ATOM 0 H ASN B 37 10.239 4.507 2.130 1.00 0.00 H new ATOM 0 HA ASN B 37 9.026 4.902 0.358 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.363 5.267 1.571 1.00 0.00 H new ATOM 0 HB3 ASN B 37 6.956 3.962 0.562 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.357 2.565 4.004 1.00 0.00 H new ATOM 0 HD22 ASN B 37 5.522 4.040 3.505 1.00 0.00 H new ATOM 1458 N GLY B 38 9.190 7.636 0.947 1.00 0.00 N ATOM 1459 CA GLY B 38 8.993 9.042 0.614 1.00 0.00 C ATOM 1460 C GLY B 38 7.749 9.629 1.290 1.00 0.00 C ATOM 1461 O GLY B 38 7.420 10.799 1.078 1.00 0.00 O ATOM 0 H GLY B 38 10.140 7.391 1.225 1.00 0.00 H new ATOM 0 HA2 GLY B 38 9.872 9.612 0.917 1.00 0.00 H new ATOM 0 HA3 GLY B 38 8.901 9.148 -0.467 1.00 0.00 H new ATOM 1465 N VAL B 39 7.060 8.843 2.117 1.00 0.00 N ATOM 1466 CA VAL B 39 5.895 9.356 2.806 1.00 0.00 C ATOM 1467 C VAL B 39 6.372 10.035 4.072 1.00 0.00 C ATOM 1468 O VAL B 39 5.976 11.162 4.366 1.00 0.00 O ATOM 1469 CB VAL B 39 4.899 8.240 3.154 1.00 0.00 C ATOM 1470 CG1 VAL B 39 3.896 8.740 4.220 1.00 0.00 C ATOM 1471 CG2 VAL B 39 4.142 7.831 1.890 1.00 0.00 C ATOM 0 H VAL B 39 7.288 7.869 2.318 1.00 0.00 H new ATOM 0 HA VAL B 39 5.372 10.057 2.155 1.00 0.00 H new ATOM 0 HB VAL B 39 5.441 7.383 3.553 1.00 0.00 H new ATOM 0 HG11 VAL B 39 3.193 7.942 4.461 1.00 0.00 H new ATOM 0 HG12 VAL B 39 4.437 9.031 5.120 1.00 0.00 H new ATOM 0 HG13 VAL B 39 3.350 9.599 3.831 1.00 0.00 H new ATOM 0 HG21 VAL B 39 3.433 7.039 2.131 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.603 8.692 1.494 1.00 0.00 H new ATOM 0 HG23 VAL B 39 4.849 7.470 1.143 1.00 0.00 H new ATOM 1481 N ASP B 40 7.240 9.320 4.806 1.00 0.00 N ATOM 1482 CA ASP B 40 7.809 9.821 6.058 1.00 0.00 C ATOM 1483 C ASP B 40 6.834 10.802 6.722 1.00 0.00 C ATOM 1484 O ASP B 40 7.220 11.867 7.197 1.00 0.00 O ATOM 1485 CB ASP B 40 9.146 10.495 5.750 1.00 0.00 C ATOM 1486 CG ASP B 40 8.962 11.775 4.943 1.00 0.00 C ATOM 1487 OD1 ASP B 40 8.853 11.683 3.695 1.00 0.00 O ATOM 1488 OD2 ASP B 40 8.993 12.887 5.526 1.00 0.00 O ATOM 0 H ASP B 40 7.562 8.387 4.548 1.00 0.00 H new ATOM 0 HA ASP B 40 7.976 8.998 6.754 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.661 10.724 6.683 1.00 0.00 H new ATOM 0 HB3 ASP B 40 9.782 9.804 5.196 1.00 0.00 H new ATOM 1493 N GLY B 41 5.550 10.439 6.663 1.00 0.00 N ATOM 1494 CA GLY B 41 4.465 11.278 7.171 1.00 0.00 C ATOM 1495 C GLY B 41 4.320 11.261 8.692 1.00 0.00 C ATOM 1496 O GLY B 41 5.010 10.519 9.386 1.00 0.00 O ATOM 0 H GLY B 41 5.235 9.556 6.262 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.631 12.305 6.845 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.527 10.949 6.724 1.00 0.00 H new ATOM 1500 N GLU B 42 3.406 12.106 9.197 1.00 0.00 N ATOM 1501 CA GLU B 42 3.165 12.200 10.636 1.00 0.00 C ATOM 1502 C GLU B 42 2.582 10.906 11.175 1.00 0.00 C ATOM 1503 O GLU B 42 1.806 10.223 10.507 1.00 0.00 O ATOM 1504 CB GLU B 42 2.252 13.414 10.962 1.00 0.00 C ATOM 1505 CG GLU B 42 0.757 13.020 11.173 1.00 0.00 C ATOM 1506 CD GLU B 42 -0.142 14.214 10.832 1.00 0.00 C ATOM 1507 OE1 GLU B 42 0.313 15.067 10.037 1.00 0.00 O ATOM 1508 OE2 GLU B 42 -1.262 14.317 11.379 1.00 0.00 O ATOM 0 H GLU B 42 2.829 12.727 8.630 1.00 0.00 H new ATOM 0 HA GLU B 42 4.122 12.360 11.133 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.621 13.907 11.861 1.00 0.00 H new ATOM 0 HB3 GLU B 42 2.319 14.139 10.151 1.00 0.00 H new ATOM 0 HG2 GLU B 42 0.502 12.168 10.542 1.00 0.00 H new ATOM 0 HG3 GLU B 42 0.594 12.712 12.206 1.00 0.00 H new ATOM 1515 N TRP B 43 2.990 10.596 12.392 1.00 0.00 N ATOM 1516 CA TRP B 43 2.542 9.380 13.067 1.00 0.00 C ATOM 1517 C TRP B 43 1.537 9.616 14.159 1.00 0.00 C ATOM 1518 O TRP B 43 1.647 10.530 14.973 1.00 0.00 O ATOM 1519 CB TRP B 43 3.748 8.556 13.575 1.00 0.00 C ATOM 1520 CG TRP B 43 3.998 7.555 12.560 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.374 7.825 11.289 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.825 6.102 12.618 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.424 6.658 10.556 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.079 5.566 11.319 1.00 0.00 C ATOM 1525 CE3 TRP B 43 3.470 5.182 13.631 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 3.973 4.196 11.034 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 3.362 3.804 13.356 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.604 3.313 12.061 1.00 0.00 C ATOM 0 H TRP B 43 3.633 11.168 12.939 1.00 0.00 H new ATOM 0 HA TRP B 43 2.011 8.800 12.313 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.622 9.191 13.721 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.527 8.092 14.536 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.601 8.809 10.905 1.00 0.00 H new ATOM 0 HE1 TRP B 43 4.684 6.610 9.571 1.00 0.00 H new ATOM 0 HE3 TRP B 43 3.279 5.541 14.631 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 4.172 3.826 10.039 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 3.091 3.120 14.146 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.506 2.257 11.856 1.00 0.00 H new ATOM 1539 N THR B 44 0.605 8.673 14.206 1.00 0.00 N ATOM 1540 CA THR B 44 -0.415 8.616 15.243 1.00 0.00 C ATOM 1541 C THR B 44 -0.619 7.140 15.540 1.00 0.00 C ATOM 1542 O THR B 44 -0.258 6.312 14.723 1.00 0.00 O ATOM 1543 CB THR B 44 -1.735 9.246 14.774 1.00 0.00 C ATOM 1544 OG1 THR B 44 -1.459 10.452 14.076 1.00 0.00 O ATOM 1545 CG2 THR B 44 -2.628 9.554 15.983 1.00 0.00 C ATOM 0 H THR B 44 0.536 7.921 13.520 1.00 0.00 H new ATOM 0 HA THR B 44 -0.101 9.176 16.124 1.00 0.00 H new ATOM 0 HB THR B 44 -2.251 8.547 14.116 1.00 0.00 H new ATOM 0 HG1 THR B 44 -2.300 10.855 13.774 1.00 0.00 H new ATOM 0 HG21 THR B 44 -3.562 10.000 15.641 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.843 8.631 16.521 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.115 10.250 16.647 1.00 0.00 H new ATOM 1553 N TYR B 45 -1.204 6.786 16.665 1.00 0.00 N ATOM 1554 CA TYR B 45 -1.441 5.372 16.948 1.00 0.00 C ATOM 1555 C TYR B 45 -2.707 5.231 17.772 1.00 0.00 C ATOM 1556 O TYR B 45 -2.939 5.992 18.709 1.00 0.00 O ATOM 1557 CB TYR B 45 -0.229 4.737 17.644 1.00 0.00 C ATOM 1558 CG TYR B 45 -0.575 3.360 18.192 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -1.374 2.456 17.466 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -0.091 2.988 19.462 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -1.686 1.194 18.000 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -0.401 1.720 19.993 1.00 0.00 C ATOM 1563 CZ TYR B 45 -1.200 0.826 19.264 1.00 0.00 C ATOM 1564 OH TYR B 45 -1.490 -0.416 19.782 1.00 0.00 O ATOM 0 H TYR B 45 -1.520 7.433 17.387 1.00 0.00 H new ATOM 0 HA TYR B 45 -1.578 4.834 16.010 1.00 0.00 H new ATOM 0 HB2 TYR B 45 0.598 4.654 16.939 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.108 5.382 18.456 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -1.750 2.734 16.492 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.519 3.676 20.029 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -2.300 0.507 17.437 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -0.023 1.436 20.964 1.00 0.00 H new ATOM 0 HH TYR B 45 -1.956 -0.952 19.106 1.00 0.00 H new ATOM 1574 N ASP B 46 -3.488 4.205 17.465 1.00 0.00 N ATOM 1575 CA ASP B 46 -4.696 3.889 18.209 1.00 0.00 C ATOM 1576 C ASP B 46 -4.680 2.393 18.545 1.00 0.00 C ATOM 1577 O ASP B 46 -4.816 1.550 17.659 1.00 0.00 O ATOM 1578 CB ASP B 46 -5.924 4.301 17.386 1.00 0.00 C ATOM 1579 CG ASP B 46 -7.045 3.286 17.547 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -7.177 2.717 18.661 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -7.727 2.961 16.546 1.00 0.00 O ATOM 0 H ASP B 46 -3.300 3.568 16.691 1.00 0.00 H new ATOM 0 HA ASP B 46 -4.743 4.443 19.147 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -6.269 5.284 17.706 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -5.651 4.385 16.334 1.00 0.00 H new ATOM 1586 N ASP B 47 -4.494 2.076 19.805 1.00 0.00 N ATOM 1587 CA ASP B 47 -4.445 0.678 20.218 1.00 0.00 C ATOM 1588 C ASP B 47 -5.836 0.070 20.436 1.00 0.00 C ATOM 1589 O ASP B 47 -6.178 -0.970 19.868 1.00 0.00 O ATOM 1590 CB ASP B 47 -3.655 0.610 21.520 1.00 0.00 C ATOM 1591 CG ASP B 47 -3.640 -0.799 22.103 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -3.293 -1.773 21.395 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -3.920 -0.924 23.317 1.00 0.00 O ATOM 0 H ASP B 47 -4.375 2.752 20.560 1.00 0.00 H new ATOM 0 HA ASP B 47 -3.974 0.101 19.422 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -2.632 0.940 21.341 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -4.090 1.298 22.245 1.00 0.00 H new ATOM 1598 N ALA B 48 -6.586 0.697 21.323 1.00 0.00 N ATOM 1599 CA ALA B 48 -7.919 0.220 21.745 1.00 0.00 C ATOM 1600 C ALA B 48 -9.038 0.517 20.768 1.00 0.00 C ATOM 1601 O ALA B 48 -10.182 0.122 20.999 1.00 0.00 O ATOM 1602 CB ALA B 48 -8.285 0.875 23.068 1.00 0.00 C ATOM 0 H ALA B 48 -6.298 1.560 21.783 1.00 0.00 H new ATOM 0 HA ALA B 48 -7.831 -0.864 21.814 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.268 0.528 23.386 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -7.545 0.609 23.823 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -8.305 1.958 22.945 1.00 0.00 H new ATOM 1608 N THR B 49 -8.721 1.167 19.674 1.00 0.00 N ATOM 1609 CA THR B 49 -9.726 1.462 18.659 1.00 0.00 C ATOM 1610 C THR B 49 -9.138 1.070 17.320 1.00 0.00 C ATOM 1611 O THR B 49 -9.626 1.445 16.253 1.00 0.00 O ATOM 1612 CB THR B 49 -10.170 2.941 18.722 1.00 0.00 C ATOM 1613 OG1 THR B 49 -9.571 3.684 17.681 1.00 0.00 O ATOM 1614 CG2 THR B 49 -9.777 3.550 20.073 1.00 0.00 C ATOM 0 H THR B 49 -7.783 1.504 19.457 1.00 0.00 H new ATOM 0 HA THR B 49 -10.638 0.890 18.829 1.00 0.00 H new ATOM 0 HB THR B 49 -11.253 2.979 18.606 1.00 0.00 H new ATOM 0 HG1 THR B 49 -9.356 3.086 16.935 1.00 0.00 H new ATOM 0 HG21 THR B 49 -10.094 4.592 20.108 1.00 0.00 H new ATOM 0 HG22 THR B 49 -10.262 2.996 20.877 1.00 0.00 H new ATOM 0 HG23 THR B 49 -8.695 3.495 20.196 1.00 0.00 H new ATOM 1622 N LYS B 50 -8.050 0.299 17.414 1.00 0.00 N ATOM 1623 CA LYS B 50 -7.316 -0.196 16.259 1.00 0.00 C ATOM 1624 C LYS B 50 -7.350 0.789 15.115 1.00 0.00 C ATOM 1625 O LYS B 50 -8.173 0.692 14.207 1.00 0.00 O ATOM 1626 CB LYS B 50 -7.819 -1.579 15.810 1.00 0.00 C ATOM 1627 CG LYS B 50 -9.311 -1.800 16.129 1.00 0.00 C ATOM 1628 CD LYS B 50 -9.502 -2.178 17.614 1.00 0.00 C ATOM 1629 CE LYS B 50 -10.802 -2.972 17.780 1.00 0.00 C ATOM 1630 NZ LYS B 50 -10.956 -3.371 19.205 1.00 0.00 N ATOM 0 H LYS B 50 -7.655 0.001 18.306 1.00 0.00 H new ATOM 0 HA LYS B 50 -6.278 -0.310 16.570 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.661 -1.688 14.737 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -7.228 -2.353 16.300 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -9.874 -0.894 15.904 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -9.711 -2.590 15.493 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -8.655 -2.771 17.960 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -9.533 -1.278 18.228 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -11.653 -2.368 17.466 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -10.786 -3.856 17.143 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -11.838 -3.910 19.321 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -10.149 -3.962 19.489 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -10.989 -2.520 19.802 1.00 0.00 H new ATOM 1644 N THR B 51 -6.390 1.693 15.141 1.00 0.00 N ATOM 1645 CA THR B 51 -6.260 2.664 14.051 1.00 0.00 C ATOM 1646 C THR B 51 -4.863 3.286 13.971 1.00 0.00 C ATOM 1647 O THR B 51 -4.116 3.349 14.947 1.00 0.00 O ATOM 1648 CB THR B 51 -7.368 3.728 14.098 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.606 3.086 14.359 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.469 4.452 12.748 1.00 0.00 C ATOM 0 H THR B 51 -5.698 1.783 15.885 1.00 0.00 H new ATOM 0 HA THR B 51 -6.392 2.105 13.125 1.00 0.00 H new ATOM 0 HB THR B 51 -7.134 4.452 14.879 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.650 2.832 15.305 1.00 0.00 H new ATOM 0 HG21 THR B 51 -8.258 5.203 12.796 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.519 4.937 12.523 1.00 0.00 H new ATOM 0 HG23 THR B 51 -7.702 3.731 11.965 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.562 3.773 12.784 1.00 0.00 N ATOM 1659 CA PHE B 52 -3.311 4.458 12.478 1.00 0.00 C ATOM 1660 C PHE B 52 -3.557 5.633 11.580 1.00 0.00 C ATOM 1661 O PHE B 52 -4.450 5.595 10.744 1.00 0.00 O ATOM 1662 CB PHE B 52 -2.277 3.527 11.834 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.284 3.071 12.832 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -0.391 4.027 13.356 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -1.207 1.733 13.258 1.00 0.00 C ATOM 1666 CE1 PHE B 52 0.591 3.641 14.286 1.00 0.00 C ATOM 1667 CE2 PHE B 52 -0.222 1.346 14.182 1.00 0.00 C ATOM 1668 CZ PHE B 52 0.682 2.297 14.685 1.00 0.00 C ATOM 0 H PHE B 52 -5.191 3.705 11.984 1.00 0.00 H new ATOM 0 HA PHE B 52 -2.903 4.802 13.428 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.780 2.665 11.396 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.770 4.047 11.021 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -0.461 5.058 13.043 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -1.905 1.003 12.875 1.00 0.00 H new ATOM 0 HE1 PHE B 52 1.272 4.375 14.692 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.160 0.318 14.506 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.450 1.993 15.381 1.00 0.00 H new ATOM 1678 N THR B 53 -2.696 6.641 11.700 1.00 0.00 N ATOM 1679 CA THR B 53 -2.783 7.789 10.811 1.00 0.00 C ATOM 1680 C THR B 53 -1.402 8.162 10.289 1.00 0.00 C ATOM 1681 O THR B 53 -0.566 8.730 10.990 1.00 0.00 O ATOM 1682 CB THR B 53 -3.413 8.997 11.527 1.00 0.00 C ATOM 1683 OG1 THR B 53 -4.423 8.541 12.412 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.036 9.952 10.497 1.00 0.00 C ATOM 0 H THR B 53 -1.946 6.684 12.390 1.00 0.00 H new ATOM 0 HA THR B 53 -3.421 7.514 9.971 1.00 0.00 H new ATOM 0 HB THR B 53 -2.640 9.526 12.085 1.00 0.00 H new ATOM 0 HG1 THR B 53 -4.826 9.307 12.871 1.00 0.00 H new ATOM 0 HG21 THR B 53 -4.480 10.804 11.012 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.264 10.304 9.813 1.00 0.00 H new ATOM 0 HG23 THR B 53 -4.808 9.427 9.934 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.216 7.855 9.023 1.00 0.00 N ATOM 1693 CA VAL B 54 0.017 8.169 8.330 1.00 0.00 C ATOM 1694 C VAL B 54 -0.293 9.458 7.624 1.00 0.00 C ATOM 1695 O VAL B 54 -1.314 9.549 6.976 1.00 0.00 O ATOM 1696 CB VAL B 54 0.425 7.051 7.350 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.567 7.529 6.440 1.00 0.00 C ATOM 1698 CG2 VAL B 54 0.916 5.839 8.155 1.00 0.00 C ATOM 0 H VAL B 54 -1.912 7.382 8.446 1.00 0.00 H new ATOM 0 HA VAL B 54 0.869 8.259 9.004 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.436 6.784 6.738 1.00 0.00 H new ATOM 0 HG11 VAL B 54 1.844 6.729 5.754 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.239 8.398 5.870 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.429 7.799 7.050 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.207 5.042 7.471 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.774 6.128 8.761 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.115 5.485 8.805 1.00 0.00 H new ATOM 1708 N THR B 55 0.588 10.436 7.703 1.00 0.00 N ATOM 1709 CA THR B 55 0.305 11.698 7.009 1.00 0.00 C ATOM 1710 C THR B 55 1.500 12.321 6.318 1.00 0.00 C ATOM 1711 O THR B 55 2.370 12.917 6.950 1.00 0.00 O ATOM 1712 CB THR B 55 -0.304 12.700 7.995 1.00 0.00 C ATOM 1713 OG1 THR B 55 -1.152 12.005 8.900 1.00 0.00 O ATOM 1714 CG2 THR B 55 -1.133 13.763 7.248 1.00 0.00 C ATOM 0 H THR B 55 1.470 10.398 8.214 1.00 0.00 H new ATOM 0 HA THR B 55 -0.399 11.450 6.214 1.00 0.00 H new ATOM 0 HB THR B 55 0.503 13.196 8.534 1.00 0.00 H new ATOM 0 HG1 THR B 55 -1.884 11.582 8.404 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.557 14.465 7.966 1.00 0.00 H new ATOM 0 HG22 THR B 55 -0.491 14.301 6.550 1.00 0.00 H new ATOM 0 HG23 THR B 55 -1.938 13.276 6.698 1.00 0.00 H new ATOM 1722 N GLU B 56 1.501 12.181 5.002 1.00 0.00 N ATOM 1723 CA GLU B 56 2.564 12.745 4.186 1.00 0.00 C ATOM 1724 C GLU B 56 2.839 14.165 4.682 1.00 0.00 C ATOM 1725 O GLU B 56 1.880 14.903 4.836 1.00 0.00 O ATOM 1726 CB GLU B 56 2.156 12.766 2.709 1.00 0.00 C ATOM 1727 CG GLU B 56 3.384 12.948 1.802 1.00 0.00 C ATOM 1728 CD GLU B 56 4.100 14.260 2.121 1.00 0.00 C ATOM 1729 OE1 GLU B 56 3.419 15.226 2.528 1.00 0.00 O ATOM 1730 OE2 GLU B 56 5.348 14.294 2.038 1.00 0.00 O ATOM 1731 OXT GLU B 56 3.992 14.487 4.909 1.00 0.00 O ATOM 0 H GLU B 56 0.781 11.684 4.478 1.00 0.00 H new ATOM 0 HA GLU B 56 3.463 12.135 4.272 1.00 0.00 H new ATOM 0 HB2 GLU B 56 1.646 11.836 2.455 1.00 0.00 H new ATOM 0 HB3 GLU B 56 1.447 13.576 2.535 1.00 0.00 H new ATOM 0 HG2 GLU B 56 4.070 12.111 1.937 1.00 0.00 H new ATOM 0 HG3 GLU B 56 3.075 12.941 0.757 1.00 0.00 H new