USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 49 THR OG1 : rot -36:sc= 0.295 USER MOD Set 1.2: B 51 THR OG1 : rot 48:sc= 1.23 USER MOD Set 2.1: A 33 TYR OH : rot -130:sc= 0.522 USER MOD Set 2.2: B 11 THR OG1 : rot 137:sc= 0.585 USER MOD Set 3.1: B 8 ASN : amide:sc= 0.724 K(o=0.72,f=0.0039) USER MOD Set 3.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 51 THR OG1 : rot 62:sc= 1.2 USER MOD Set 5.1: A 28 LYS NZ :NH3+ -171:sc= 0.902 (180deg=0) USER MOD Set 5.2: A 32 GLN : amide:sc= 0.79 K(o=1.7,f=-1.9) USER MOD Set 6.1: A 11 THR OG1 : rot 180:sc= 0.0156 USER MOD Set 6.2: B 33 TYR OH : rot 180:sc= 0 USER MOD Set 7.1: A 8 ASN : amide:sc= 0.877 K(o=0.88,f=0) USER MOD Set 7.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.68 (180deg=0.652) USER MOD Single : A 2 GLN : amide:sc= 0.0958 X(o=0.096,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= 1 (180deg=0.88) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0805 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 92:sc= 1.2 USER MOD Single : A 25 THR OG1 : rot -140:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 155:sc= 1.23 (180deg=1.07) USER MOD Single : A 35 ASN : amide:sc= 1.56 K(o=1.6,f=-5.3!) USER MOD Single : A 37 ASN : amide:sc= 0.018 K(o=0.018,f=-3.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= 1.01 (180deg=0.77) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -175:sc= 1.82 (180deg=1.8) USER MOD Single : B 2 GLN : amide:sc= 0.434 X(o=0.43,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 166:sc= 0.942 (180deg=0.806) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot 87:sc= -0.0658 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 75:sc= 1.27 USER MOD Single : B 25 THR OG1 : rot -150:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 170:sc= 1.19 (180deg=0.965) USER MOD Single : B 32 GLN : amide:sc= 0.443 K(o=0.44,f=-0.16) USER MOD Single : B 35 ASN : amide:sc= 0.934 K(o=0.93,f=-0.052) USER MOD Single : B 37 ASN : amide:sc= 2.01 K(o=2,f=-1.9!) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot -151:sc= 1.24 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 -4.323 9.329 -16.921 1.00 0.00 N ATOM 2 CA MET A 1 -5.367 8.315 -16.622 1.00 0.00 C ATOM 3 C MET A 1 -5.138 7.701 -15.242 1.00 0.00 C ATOM 4 O MET A 1 -3.993 7.508 -14.838 1.00 0.00 O ATOM 5 CB MET A 1 -5.415 7.242 -17.729 1.00 0.00 C ATOM 6 CG MET A 1 -6.511 6.185 -17.533 1.00 0.00 C ATOM 7 SD MET A 1 -8.189 6.853 -17.337 1.00 0.00 S ATOM 8 CE MET A 1 -9.097 5.314 -17.028 1.00 0.00 C ATOM 0 H1 MET A 1 -4.433 9.662 -17.900 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.422 10.133 -16.268 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.382 8.903 -16.804 1.00 0.00 H new ATOM 0 HA MET A 1 -6.340 8.807 -16.604 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.568 7.734 -18.690 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.448 6.742 -17.777 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.502 5.510 -18.389 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.268 5.589 -16.654 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.154 5.538 -16.884 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.981 4.646 -17.881 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.703 4.832 -16.133 1.00 0.00 H new ATOM 20 N GLN A 2 -6.218 7.411 -14.510 1.00 0.00 N ATOM 21 CA GLN A 2 -6.179 6.690 -13.224 1.00 0.00 C ATOM 22 C GLN A 2 -5.877 5.189 -13.428 1.00 0.00 C ATOM 23 O GLN A 2 -6.493 4.534 -14.271 1.00 0.00 O ATOM 24 CB GLN A 2 -7.529 6.850 -12.495 1.00 0.00 C ATOM 25 CG GLN A 2 -7.441 6.558 -10.988 1.00 0.00 C ATOM 26 CD GLN A 2 -7.165 7.810 -10.185 1.00 0.00 C ATOM 27 OE1 GLN A 2 -8.075 8.522 -9.776 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.914 8.115 -9.931 1.00 0.00 N ATOM 0 H GLN A 2 -7.162 7.673 -14.795 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.379 7.120 -12.622 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.895 7.866 -12.641 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.260 6.180 -12.947 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.375 6.109 -10.650 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.652 5.828 -10.805 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.163 7.517 -10.275 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.693 8.950 -9.389 1.00 0.00 H new ATOM 37 N TYR A 3 -4.949 4.645 -12.641 1.00 0.00 N ATOM 38 CA TYR A 3 -4.642 3.211 -12.522 1.00 0.00 C ATOM 39 C TYR A 3 -4.731 2.727 -11.063 1.00 0.00 C ATOM 40 O TYR A 3 -4.590 3.531 -10.137 1.00 0.00 O ATOM 41 CB TYR A 3 -3.249 2.944 -13.103 1.00 0.00 C ATOM 42 CG TYR A 3 -3.127 3.217 -14.593 1.00 0.00 C ATOM 43 CD1 TYR A 3 -2.793 4.505 -15.054 1.00 0.00 C ATOM 44 CD2 TYR A 3 -3.349 2.182 -15.520 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.699 4.761 -16.434 1.00 0.00 C ATOM 46 CE2 TYR A 3 -3.261 2.443 -16.900 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.949 3.734 -17.356 1.00 0.00 C ATOM 48 OH TYR A 3 -2.893 3.993 -18.691 1.00 0.00 O ATOM 0 H TYR A 3 -4.359 5.217 -12.037 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.386 2.648 -13.086 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.523 3.560 -12.573 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.983 1.904 -12.914 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.608 5.299 -14.346 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.587 1.187 -15.172 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.434 5.748 -16.783 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.434 1.648 -17.610 1.00 0.00 H new ATOM 0 HH TYR A 3 -3.090 3.174 -19.192 1.00 0.00 H new ATOM 58 N LYS A 4 -4.898 1.419 -10.839 1.00 0.00 N ATOM 59 CA LYS A 4 -5.109 0.819 -9.507 1.00 0.00 C ATOM 60 C LYS A 4 -4.258 -0.455 -9.272 1.00 0.00 C ATOM 61 O LYS A 4 -3.907 -1.153 -10.221 1.00 0.00 O ATOM 62 CB LYS A 4 -6.619 0.537 -9.378 1.00 0.00 C ATOM 63 CG LYS A 4 -7.055 0.077 -7.980 1.00 0.00 C ATOM 64 CD LYS A 4 -8.558 -0.214 -7.919 1.00 0.00 C ATOM 65 CE LYS A 4 -8.881 -0.735 -6.516 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.293 -1.133 -6.371 1.00 0.00 N ATOM 0 H LYS A 4 -4.891 0.730 -11.591 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.776 1.512 -8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.170 1.441 -9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.898 -0.227 -10.103 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.500 -0.819 -7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.804 0.846 -7.250 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.130 0.689 -8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.835 -0.951 -8.673 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.242 -1.589 -6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.648 0.037 -5.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.412 -1.676 -5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.891 -0.283 -6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.573 -1.721 -7.182 1.00 0.00 H new ATOM 80 N LEU A 5 -3.969 -0.784 -8.008 1.00 0.00 N ATOM 81 CA LEU A 5 -3.149 -1.909 -7.532 1.00 0.00 C ATOM 82 C LEU A 5 -3.856 -2.653 -6.382 1.00 0.00 C ATOM 83 O LEU A 5 -4.194 -2.043 -5.366 1.00 0.00 O ATOM 84 CB LEU A 5 -1.806 -1.322 -7.049 1.00 0.00 C ATOM 85 CG LEU A 5 -0.599 -2.248 -6.809 1.00 0.00 C ATOM 86 CD1 LEU A 5 -0.760 -3.208 -5.632 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.229 -3.049 -8.052 1.00 0.00 C ATOM 0 H LEU A 5 -4.328 -0.230 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.990 -2.631 -8.333 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.499 -0.573 -7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.000 -0.795 -6.115 1.00 0.00 H new ATOM 0 HG LEU A 5 0.207 -1.559 -6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.136 -3.821 -5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.908 -2.638 -4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.623 -3.851 -5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.627 -3.687 -7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.075 -3.668 -8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.026 -2.366 -8.863 1.00 0.00 H new ATOM 99 N ILE A 6 -4.042 -3.967 -6.517 1.00 0.00 N ATOM 100 CA ILE A 6 -4.606 -4.856 -5.485 1.00 0.00 C ATOM 101 C ILE A 6 -3.484 -5.720 -4.889 1.00 0.00 C ATOM 102 O ILE A 6 -2.780 -6.420 -5.619 1.00 0.00 O ATOM 103 CB ILE A 6 -5.728 -5.743 -6.074 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.784 -4.889 -6.815 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.370 -6.587 -4.951 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.898 -5.700 -7.483 1.00 0.00 C ATOM 0 H ILE A 6 -3.798 -4.464 -7.374 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.048 -4.249 -4.695 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.292 -6.420 -6.809 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.233 -4.193 -6.106 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.281 -4.290 -7.575 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.160 -7.210 -5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.611 -7.222 -4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.793 -5.925 -4.195 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.594 -5.023 -7.979 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.464 -6.377 -8.219 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.430 -6.278 -6.728 1.00 0.00 H new ATOM 118 N LEU A 7 -3.324 -5.680 -3.568 1.00 0.00 N ATOM 119 CA LEU A 7 -2.208 -6.276 -2.833 1.00 0.00 C ATOM 120 C LEU A 7 -2.692 -7.439 -1.942 1.00 0.00 C ATOM 121 O LEU A 7 -3.486 -7.257 -1.016 1.00 0.00 O ATOM 122 CB LEU A 7 -1.514 -5.142 -2.058 1.00 0.00 C ATOM 123 CG LEU A 7 -0.226 -5.542 -1.322 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.877 -6.013 -2.270 1.00 0.00 C ATOM 125 CD2 LEU A 7 0.295 -4.321 -0.574 1.00 0.00 C ATOM 0 H LEU A 7 -3.993 -5.214 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.481 -6.730 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.279 -4.338 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.218 -4.738 -1.331 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.473 -6.368 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.762 -6.282 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.530 -6.882 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.127 -5.211 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.211 -4.583 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.503 -3.521 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.456 -3.985 0.141 1.00 0.00 H new ATOM 137 N ASN A 8 -2.209 -8.637 -2.264 1.00 0.00 N ATOM 138 CA ASN A 8 -2.514 -9.899 -1.591 1.00 0.00 C ATOM 139 C ASN A 8 -1.243 -10.559 -1.020 1.00 0.00 C ATOM 140 O ASN A 8 -0.373 -11.021 -1.762 1.00 0.00 O ATOM 141 CB ASN A 8 -3.298 -10.847 -2.514 1.00 0.00 C ATOM 142 CG ASN A 8 -4.391 -10.193 -3.336 1.00 0.00 C ATOM 143 OD1 ASN A 8 -5.566 -10.196 -2.990 1.00 0.00 O ATOM 144 ND2 ASN A 8 -4.010 -9.654 -4.471 1.00 0.00 N ATOM 0 H ASN A 8 -1.561 -8.761 -3.042 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.159 -9.675 -0.741 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.595 -11.330 -3.193 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.745 -11.633 -1.905 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.699 -9.224 -5.088 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.025 -9.665 -4.735 1.00 0.00 H new ATOM 151 N GLY A 9 -1.151 -10.627 0.303 1.00 0.00 N ATOM 152 CA GLY A 9 -0.062 -11.289 1.034 1.00 0.00 C ATOM 153 C GLY A 9 -0.434 -11.745 2.451 1.00 0.00 C ATOM 154 O GLY A 9 -1.501 -11.419 2.976 1.00 0.00 O ATOM 0 H GLY A 9 -1.849 -10.213 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.269 -12.156 0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.785 -10.606 1.096 1.00 0.00 H new ATOM 158 N LYS A 10 0.442 -12.534 3.067 1.00 0.00 N ATOM 159 CA LYS A 10 0.228 -13.145 4.389 1.00 0.00 C ATOM 160 C LYS A 10 0.479 -12.169 5.561 1.00 0.00 C ATOM 161 O LYS A 10 -0.242 -12.195 6.562 1.00 0.00 O ATOM 162 CB LYS A 10 1.134 -14.382 4.530 1.00 0.00 C ATOM 163 CG LYS A 10 0.780 -15.487 3.514 1.00 0.00 C ATOM 164 CD LYS A 10 1.691 -16.722 3.626 1.00 0.00 C ATOM 165 CE LYS A 10 1.622 -17.461 4.971 1.00 0.00 C ATOM 166 NZ LYS A 10 0.306 -18.095 5.207 1.00 0.00 N ATOM 0 H LYS A 10 1.344 -12.776 2.657 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.823 -13.430 4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.174 -14.085 4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.047 -14.780 5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.256 -15.792 3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.850 -15.081 2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.430 -17.421 2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.721 -16.412 3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.399 -18.224 5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.833 -16.759 5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.314 -18.579 6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.436 -17.366 5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.113 -18.786 4.454 1.00 0.00 H new ATOM 180 N THR A 11 1.473 -11.286 5.437 1.00 0.00 N ATOM 181 CA THR A 11 1.835 -10.264 6.445 1.00 0.00 C ATOM 182 C THR A 11 1.083 -8.933 6.281 1.00 0.00 C ATOM 183 O THR A 11 0.899 -8.186 7.247 1.00 0.00 O ATOM 184 CB THR A 11 3.331 -9.915 6.338 1.00 0.00 C ATOM 185 OG1 THR A 11 3.706 -9.666 5.000 1.00 0.00 O ATOM 186 CG2 THR A 11 4.232 -11.029 6.869 1.00 0.00 C ATOM 0 H THR A 11 2.071 -11.254 4.611 1.00 0.00 H new ATOM 0 HA THR A 11 1.569 -10.713 7.402 1.00 0.00 H new ATOM 0 HB THR A 11 3.464 -9.021 6.947 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.660 -9.445 4.963 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.276 -10.731 6.770 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.005 -11.211 7.919 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.059 -11.941 6.297 1.00 0.00 H new ATOM 194 N LEU A 12 0.664 -8.625 5.053 1.00 0.00 N ATOM 195 CA LEU A 12 -0.086 -7.418 4.694 1.00 0.00 C ATOM 196 C LEU A 12 -0.991 -7.650 3.462 1.00 0.00 C ATOM 197 O LEU A 12 -0.625 -8.386 2.544 1.00 0.00 O ATOM 198 CB LEU A 12 0.930 -6.265 4.539 1.00 0.00 C ATOM 199 CG LEU A 12 0.319 -4.877 4.267 1.00 0.00 C ATOM 200 CD1 LEU A 12 1.137 -3.782 4.947 1.00 0.00 C ATOM 201 CD2 LEU A 12 0.303 -4.570 2.773 1.00 0.00 C ATOM 0 H LEU A 12 0.843 -9.230 4.252 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.790 -7.144 5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.530 -6.207 5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.610 -6.510 3.723 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.697 -4.896 4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.687 -2.811 4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.152 -3.954 6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.157 -3.798 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.133 -3.585 2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.323 -4.584 2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.292 -5.321 2.254 1.00 0.00 H new ATOM 213 N LYS A 13 -2.142 -6.980 3.416 1.00 0.00 N ATOM 214 CA LYS A 13 -3.062 -6.919 2.266 1.00 0.00 C ATOM 215 C LYS A 13 -3.549 -5.472 2.057 1.00 0.00 C ATOM 216 O LYS A 13 -3.507 -4.681 2.999 1.00 0.00 O ATOM 217 CB LYS A 13 -4.281 -7.831 2.509 1.00 0.00 C ATOM 218 CG LYS A 13 -3.921 -9.315 2.666 1.00 0.00 C ATOM 219 CD LYS A 13 -5.178 -10.178 2.843 1.00 0.00 C ATOM 220 CE LYS A 13 -4.785 -11.651 3.016 1.00 0.00 C ATOM 221 NZ LYS A 13 -5.969 -12.515 3.206 1.00 0.00 N ATOM 0 H LYS A 13 -2.479 -6.439 4.212 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.528 -7.258 1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.801 -7.496 3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.977 -7.721 1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.367 -9.652 1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.265 -9.443 3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.742 -9.839 3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.830 -10.067 1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.228 -11.984 2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.120 -11.752 3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.663 -13.503 3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.486 -12.213 4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.591 -12.438 2.376 1.00 0.00 H new ATOM 235 N GLY A 14 -4.030 -5.097 0.870 1.00 0.00 N ATOM 236 CA GLY A 14 -4.521 -3.730 0.620 1.00 0.00 C ATOM 237 C GLY A 14 -4.935 -3.393 -0.818 1.00 0.00 C ATOM 238 O GLY A 14 -4.938 -4.250 -1.704 1.00 0.00 O ATOM 0 H GLY A 14 -4.092 -5.717 0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.378 -3.553 1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.742 -3.029 0.922 1.00 0.00 H new ATOM 242 N GLU A 15 -5.270 -2.118 -1.041 1.00 0.00 N ATOM 243 CA GLU A 15 -5.655 -1.518 -2.338 1.00 0.00 C ATOM 244 C GLU A 15 -5.149 -0.079 -2.462 1.00 0.00 C ATOM 245 O GLU A 15 -5.373 0.742 -1.572 1.00 0.00 O ATOM 246 CB GLU A 15 -7.183 -1.488 -2.514 1.00 0.00 C ATOM 247 CG GLU A 15 -7.806 -2.871 -2.690 1.00 0.00 C ATOM 248 CD GLU A 15 -9.318 -2.743 -2.814 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.800 -2.432 -3.926 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.019 -2.957 -1.800 1.00 0.00 O ATOM 0 H GLU A 15 -5.283 -1.433 -0.285 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.201 -2.144 -3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.631 -1.005 -1.646 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.428 -0.875 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.399 -3.353 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.554 -3.505 -1.840 1.00 0.00 H new ATOM 257 N THR A 16 -4.476 0.220 -3.573 1.00 0.00 N ATOM 258 CA THR A 16 -3.899 1.553 -3.853 1.00 0.00 C ATOM 259 C THR A 16 -4.164 2.056 -5.280 1.00 0.00 C ATOM 260 O THR A 16 -4.461 1.273 -6.183 1.00 0.00 O ATOM 261 CB THR A 16 -2.386 1.638 -3.545 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.594 1.095 -4.568 1.00 0.00 O ATOM 263 CG2 THR A 16 -1.952 0.919 -2.269 1.00 0.00 C ATOM 0 H THR A 16 -4.309 -0.457 -4.317 1.00 0.00 H new ATOM 0 HA THR A 16 -4.428 2.213 -3.165 1.00 0.00 H new ATOM 0 HB THR A 16 -2.233 2.712 -3.436 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.648 1.175 -4.326 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.876 1.033 -2.135 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.472 1.350 -1.414 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.198 -0.140 -2.347 1.00 0.00 H new ATOM 271 N THR A 17 -4.067 3.368 -5.491 1.00 0.00 N ATOM 272 CA THR A 17 -4.468 4.056 -6.731 1.00 0.00 C ATOM 273 C THR A 17 -3.529 5.233 -7.038 1.00 0.00 C ATOM 274 O THR A 17 -3.113 5.963 -6.129 1.00 0.00 O ATOM 275 CB THR A 17 -5.919 4.593 -6.631 1.00 0.00 C ATOM 276 OG1 THR A 17 -6.775 3.744 -5.890 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.581 4.777 -7.992 1.00 0.00 C ATOM 0 H THR A 17 -3.697 4.006 -4.787 1.00 0.00 H new ATOM 0 HA THR A 17 -4.408 3.322 -7.534 1.00 0.00 H new ATOM 0 HB THR A 17 -5.799 5.552 -6.127 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.674 4.133 -5.859 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.594 5.155 -7.856 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.005 5.489 -8.584 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.618 3.819 -8.511 1.00 0.00 H new ATOM 285 N THR A 18 -3.203 5.436 -8.319 1.00 0.00 N ATOM 286 CA THR A 18 -2.320 6.502 -8.832 1.00 0.00 C ATOM 287 C THR A 18 -2.833 7.032 -10.186 1.00 0.00 C ATOM 288 O THR A 18 -3.695 6.417 -10.818 1.00 0.00 O ATOM 289 CB THR A 18 -0.871 5.976 -9.000 1.00 0.00 C ATOM 290 OG1 THR A 18 0.047 7.031 -9.164 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.680 5.039 -10.201 1.00 0.00 C ATOM 0 H THR A 18 -3.561 4.838 -9.064 1.00 0.00 H new ATOM 0 HA THR A 18 -2.324 7.316 -8.107 1.00 0.00 H new ATOM 0 HB THR A 18 -0.687 5.420 -8.081 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.408 7.289 -8.290 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.360 4.715 -10.248 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.326 4.168 -10.090 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.938 5.567 -11.119 1.00 0.00 H new ATOM 299 N GLU A 19 -2.321 8.175 -10.642 1.00 0.00 N ATOM 300 CA GLU A 19 -2.597 8.789 -11.961 1.00 0.00 C ATOM 301 C GLU A 19 -1.297 8.951 -12.738 1.00 0.00 C ATOM 302 O GLU A 19 -0.349 9.569 -12.250 1.00 0.00 O ATOM 303 CB GLU A 19 -3.330 10.129 -11.804 1.00 0.00 C ATOM 304 CG GLU A 19 -3.724 10.746 -13.143 1.00 0.00 C ATOM 305 CD GLU A 19 -4.540 12.010 -12.913 1.00 0.00 C ATOM 306 OE1 GLU A 19 -3.936 13.065 -12.617 1.00 0.00 O ATOM 307 OE2 GLU A 19 -5.782 11.947 -13.052 1.00 0.00 O ATOM 0 H GLU A 19 -1.672 8.731 -10.085 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.255 8.129 -12.526 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.225 9.980 -11.200 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.692 10.826 -11.261 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.831 10.980 -13.722 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.303 10.030 -13.726 1.00 0.00 H new ATOM 314 N ALA A 20 -1.229 8.344 -13.922 1.00 0.00 N ATOM 315 CA ALA A 20 -0.033 8.212 -14.730 1.00 0.00 C ATOM 316 C ALA A 20 -0.325 8.506 -16.210 1.00 0.00 C ATOM 317 O ALA A 20 -1.480 8.504 -16.655 1.00 0.00 O ATOM 318 CB ALA A 20 0.477 6.784 -14.548 1.00 0.00 C ATOM 0 H ALA A 20 -2.046 7.914 -14.357 1.00 0.00 H new ATOM 0 HA ALA A 20 0.720 8.934 -14.413 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.380 6.642 -15.142 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.703 6.610 -13.496 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.288 6.080 -14.876 1.00 0.00 H new ATOM 324 N VAL A 21 0.740 8.723 -16.977 1.00 0.00 N ATOM 325 CA VAL A 21 0.630 8.900 -18.440 1.00 0.00 C ATOM 326 C VAL A 21 0.203 7.586 -19.118 1.00 0.00 C ATOM 327 O VAL A 21 -0.681 7.591 -19.981 1.00 0.00 O ATOM 328 CB VAL A 21 1.907 9.519 -19.033 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.154 8.706 -18.692 1.00 0.00 C ATOM 330 CG2 VAL A 21 1.830 9.735 -20.546 1.00 0.00 C ATOM 0 H VAL A 21 1.693 8.782 -16.619 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.161 9.620 -18.647 1.00 0.00 H new ATOM 0 HB VAL A 21 1.986 10.500 -18.564 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.030 9.182 -19.132 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.272 8.658 -17.610 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.051 7.697 -19.091 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.763 10.174 -20.899 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.669 8.778 -21.042 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.003 10.407 -20.776 1.00 0.00 H new ATOM 340 N ASP A 22 0.761 6.453 -18.665 1.00 0.00 N ATOM 341 CA ASP A 22 0.483 5.111 -19.195 1.00 0.00 C ATOM 342 C ASP A 22 0.625 4.009 -18.137 1.00 0.00 C ATOM 343 O ASP A 22 1.207 4.194 -17.068 1.00 0.00 O ATOM 344 CB ASP A 22 1.469 4.838 -20.351 1.00 0.00 C ATOM 345 CG ASP A 22 1.193 3.579 -21.197 1.00 0.00 C ATOM 346 OD1 ASP A 22 0.266 3.603 -22.042 1.00 0.00 O ATOM 347 OD2 ASP A 22 1.907 2.568 -21.000 1.00 0.00 O ATOM 0 H ASP A 22 1.436 6.446 -17.900 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.553 5.091 -19.534 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.468 5.703 -21.014 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.473 4.757 -19.934 1.00 0.00 H new ATOM 352 N ALA A 23 0.133 2.842 -18.520 1.00 0.00 N ATOM 353 CA ALA A 23 0.230 1.580 -17.784 1.00 0.00 C ATOM 354 C ALA A 23 1.687 1.224 -17.400 1.00 0.00 C ATOM 355 O ALA A 23 1.916 0.604 -16.366 1.00 0.00 O ATOM 356 CB ALA A 23 -0.422 0.459 -18.601 1.00 0.00 C ATOM 0 H ALA A 23 -0.373 2.738 -19.399 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.307 1.699 -16.843 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.350 -0.480 -18.053 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.471 0.698 -18.774 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.090 0.361 -19.558 1.00 0.00 H new ATOM 362 N ALA A 24 2.677 1.663 -18.186 1.00 0.00 N ATOM 363 CA ALA A 24 4.099 1.488 -17.941 1.00 0.00 C ATOM 364 C ALA A 24 4.600 2.412 -16.814 1.00 0.00 C ATOM 365 O ALA A 24 5.316 1.969 -15.920 1.00 0.00 O ATOM 366 CB ALA A 24 4.863 1.752 -19.242 1.00 0.00 C ATOM 0 H ALA A 24 2.491 2.173 -19.049 1.00 0.00 H new ATOM 0 HA ALA A 24 4.276 0.464 -17.612 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.931 1.623 -19.069 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.532 1.050 -20.007 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.670 2.771 -19.577 1.00 0.00 H new ATOM 372 N THR A 25 4.165 3.674 -16.773 1.00 0.00 N ATOM 373 CA THR A 25 4.419 4.602 -15.659 1.00 0.00 C ATOM 374 C THR A 25 3.674 4.197 -14.382 1.00 0.00 C ATOM 375 O THR A 25 4.280 4.120 -13.314 1.00 0.00 O ATOM 376 CB THR A 25 4.037 6.025 -16.074 1.00 0.00 C ATOM 377 OG1 THR A 25 4.656 6.346 -17.300 1.00 0.00 O ATOM 378 CG2 THR A 25 4.428 7.091 -15.050 1.00 0.00 C ATOM 0 H THR A 25 3.616 4.091 -17.525 1.00 0.00 H new ATOM 0 HA THR A 25 5.484 4.561 -15.430 1.00 0.00 H new ATOM 0 HB THR A 25 2.950 6.031 -16.156 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.970 7.274 -17.275 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.125 8.073 -15.413 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.930 6.885 -14.102 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.508 7.076 -14.903 1.00 0.00 H new ATOM 386 N ALA A 26 2.385 3.856 -14.467 1.00 0.00 N ATOM 387 CA ALA A 26 1.618 3.385 -13.308 1.00 0.00 C ATOM 388 C ALA A 26 2.173 2.084 -12.695 1.00 0.00 C ATOM 389 O ALA A 26 2.285 1.988 -11.471 1.00 0.00 O ATOM 390 CB ALA A 26 0.159 3.205 -13.710 1.00 0.00 C ATOM 0 H ALA A 26 1.847 3.898 -15.332 1.00 0.00 H new ATOM 0 HA ALA A 26 1.706 4.144 -12.531 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.414 2.855 -12.852 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.244 4.158 -14.052 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.091 2.473 -14.515 1.00 0.00 H new ATOM 396 N GLU A 27 2.624 1.141 -13.539 1.00 0.00 N ATOM 397 CA GLU A 27 3.354 -0.043 -13.041 1.00 0.00 C ATOM 398 C GLU A 27 4.739 0.301 -12.532 1.00 0.00 C ATOM 399 O GLU A 27 5.180 -0.337 -11.581 1.00 0.00 O ATOM 400 CB GLU A 27 3.438 -1.245 -13.992 1.00 0.00 C ATOM 401 CG GLU A 27 4.500 -1.190 -15.087 1.00 0.00 C ATOM 402 CD GLU A 27 4.553 -2.511 -15.839 1.00 0.00 C ATOM 403 OE1 GLU A 27 5.301 -3.406 -15.386 1.00 0.00 O ATOM 404 OE2 GLU A 27 3.877 -2.645 -16.882 1.00 0.00 O ATOM 0 H GLU A 27 2.501 1.170 -14.551 1.00 0.00 H new ATOM 0 HA GLU A 27 2.722 -0.370 -12.215 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.615 -2.139 -13.393 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.466 -1.368 -14.469 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.276 -0.378 -15.779 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.474 -0.975 -14.648 1.00 0.00 H new ATOM 411 N LYS A 28 5.424 1.313 -13.077 1.00 0.00 N ATOM 412 CA LYS A 28 6.686 1.768 -12.470 1.00 0.00 C ATOM 413 C LYS A 28 6.450 2.309 -11.045 1.00 0.00 C ATOM 414 O LYS A 28 7.126 1.878 -10.109 1.00 0.00 O ATOM 415 CB LYS A 28 7.354 2.798 -13.407 1.00 0.00 C ATOM 416 CG LYS A 28 8.769 3.260 -13.016 1.00 0.00 C ATOM 417 CD LYS A 28 8.809 4.433 -12.020 1.00 0.00 C ATOM 418 CE LYS A 28 10.252 4.939 -11.886 1.00 0.00 C ATOM 419 NZ LYS A 28 10.363 6.074 -10.947 1.00 0.00 N ATOM 0 H LYS A 28 5.139 1.822 -13.914 1.00 0.00 H new ATOM 0 HA LYS A 28 7.371 0.928 -12.357 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.399 2.371 -14.409 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.711 3.676 -13.464 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.306 2.416 -12.584 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.305 3.550 -13.920 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.160 5.238 -12.364 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.433 4.113 -11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.890 4.124 -11.545 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.620 5.243 -12.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.319 6.479 -11.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.664 6.802 -11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.184 5.742 -9.978 1.00 0.00 H new ATOM 433 N VAL A 29 5.457 3.189 -10.842 1.00 0.00 N ATOM 434 CA VAL A 29 5.084 3.714 -9.506 1.00 0.00 C ATOM 435 C VAL A 29 4.717 2.579 -8.546 1.00 0.00 C ATOM 436 O VAL A 29 5.277 2.477 -7.455 1.00 0.00 O ATOM 437 CB VAL A 29 3.915 4.720 -9.608 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.378 5.169 -8.240 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.344 5.989 -10.358 1.00 0.00 C ATOM 0 H VAL A 29 4.884 3.562 -11.599 1.00 0.00 H new ATOM 0 HA VAL A 29 5.955 4.234 -9.108 1.00 0.00 H new ATOM 0 HB VAL A 29 3.130 4.185 -10.143 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.559 5.874 -8.384 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.017 4.301 -7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.177 5.651 -7.676 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.503 6.680 -10.415 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.168 6.465 -9.827 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.666 5.725 -11.365 1.00 0.00 H new ATOM 449 N PHE A 30 3.819 1.688 -8.961 1.00 0.00 N ATOM 450 CA PHE A 30 3.428 0.561 -8.115 1.00 0.00 C ATOM 451 C PHE A 30 4.602 -0.377 -7.766 1.00 0.00 C ATOM 452 O PHE A 30 4.725 -0.818 -6.620 1.00 0.00 O ATOM 453 CB PHE A 30 2.308 -0.246 -8.769 1.00 0.00 C ATOM 454 CG PHE A 30 0.986 0.477 -8.980 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.447 1.320 -7.984 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.275 0.282 -10.180 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.788 1.961 -8.194 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.955 0.928 -10.389 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.490 1.759 -9.391 1.00 0.00 C ATOM 0 H PHE A 30 3.352 1.722 -9.867 1.00 0.00 H new ATOM 0 HA PHE A 30 3.075 0.999 -7.181 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.662 -0.599 -9.737 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.121 -1.128 -8.157 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.983 1.473 -7.059 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.677 -0.367 -10.943 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.196 2.609 -7.432 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.489 0.786 -11.317 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.443 2.243 -9.546 1.00 0.00 H new ATOM 469 N LYS A 31 5.497 -0.640 -8.723 1.00 0.00 N ATOM 470 CA LYS A 31 6.702 -1.435 -8.470 1.00 0.00 C ATOM 471 C LYS A 31 7.721 -0.711 -7.575 1.00 0.00 C ATOM 472 O LYS A 31 8.546 -1.360 -6.928 1.00 0.00 O ATOM 473 CB LYS A 31 7.333 -1.919 -9.782 1.00 0.00 C ATOM 474 CG LYS A 31 6.469 -3.046 -10.362 1.00 0.00 C ATOM 475 CD LYS A 31 6.934 -3.511 -11.741 1.00 0.00 C ATOM 476 CE LYS A 31 6.054 -4.696 -12.161 1.00 0.00 C ATOM 477 NZ LYS A 31 6.387 -5.186 -13.511 1.00 0.00 N ATOM 0 H LYS A 31 5.409 -0.312 -9.685 1.00 0.00 H new ATOM 0 HA LYS A 31 6.385 -2.314 -7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.405 -1.095 -10.492 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.348 -2.275 -9.604 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.481 -3.894 -9.677 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.436 -2.705 -10.430 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.852 -2.700 -12.465 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.983 -3.807 -11.710 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.173 -5.507 -11.442 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.006 -4.396 -12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.109 -6.185 -13.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.876 -4.623 -14.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.411 -5.097 -13.670 1.00 0.00 H new ATOM 491 N GLN A 32 7.672 0.620 -7.451 1.00 0.00 N ATOM 492 CA GLN A 32 8.490 1.383 -6.492 1.00 0.00 C ATOM 493 C GLN A 32 8.028 1.189 -5.032 1.00 0.00 C ATOM 494 O GLN A 32 8.851 1.015 -4.133 1.00 0.00 O ATOM 495 CB GLN A 32 8.383 2.858 -6.923 1.00 0.00 C ATOM 496 CG GLN A 32 9.463 3.825 -6.447 1.00 0.00 C ATOM 497 CD GLN A 32 9.268 5.134 -7.182 1.00 0.00 C ATOM 498 OE1 GLN A 32 9.970 5.451 -8.136 1.00 0.00 O ATOM 499 NE2 GLN A 32 8.254 5.892 -6.825 1.00 0.00 N ATOM 0 H GLN A 32 7.059 1.206 -8.017 1.00 0.00 H new ATOM 0 HA GLN A 32 9.522 1.032 -6.509 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.366 2.887 -8.012 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.421 3.237 -6.579 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.392 3.977 -5.370 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.455 3.419 -6.647 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.672 5.625 -6.031 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.049 6.747 -7.342 1.00 0.00 H new ATOM 508 N TYR A 33 6.710 1.175 -4.800 1.00 0.00 N ATOM 509 CA TYR A 33 6.084 0.940 -3.480 1.00 0.00 C ATOM 510 C TYR A 33 5.975 -0.548 -3.072 1.00 0.00 C ATOM 511 O TYR A 33 5.939 -0.863 -1.882 1.00 0.00 O ATOM 512 CB TYR A 33 4.685 1.579 -3.478 1.00 0.00 C ATOM 513 CG TYR A 33 4.684 3.079 -3.226 1.00 0.00 C ATOM 514 CD1 TYR A 33 5.159 3.979 -4.202 1.00 0.00 C ATOM 515 CD2 TYR A 33 4.197 3.580 -2.003 1.00 0.00 C ATOM 516 CE1 TYR A 33 5.170 5.362 -3.944 1.00 0.00 C ATOM 517 CE2 TYR A 33 4.206 4.962 -1.746 1.00 0.00 C ATOM 518 CZ TYR A 33 4.698 5.849 -2.716 1.00 0.00 C ATOM 519 OH TYR A 33 4.722 7.186 -2.469 1.00 0.00 O ATOM 0 H TYR A 33 6.026 1.330 -5.540 1.00 0.00 H new ATOM 0 HA TYR A 33 6.741 1.397 -2.740 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.207 1.383 -4.438 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.077 1.093 -2.714 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.515 3.606 -5.151 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.814 2.898 -1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.542 6.048 -4.691 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.835 5.340 -0.805 1.00 0.00 H new ATOM 0 HH TYR A 33 5.140 7.350 -1.598 1.00 0.00 H new ATOM 529 N PHE A 34 5.948 -1.441 -4.061 1.00 0.00 N ATOM 530 CA PHE A 34 5.757 -2.894 -3.884 1.00 0.00 C ATOM 531 C PHE A 34 6.768 -3.719 -4.703 1.00 0.00 C ATOM 532 O PHE A 34 6.812 -3.624 -5.928 1.00 0.00 O ATOM 533 CB PHE A 34 4.290 -3.271 -4.156 1.00 0.00 C ATOM 534 CG PHE A 34 3.288 -2.400 -3.406 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.238 -2.427 -1.997 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.472 -1.490 -4.109 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.404 -1.532 -1.300 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.628 -0.606 -3.412 1.00 0.00 C ATOM 539 CZ PHE A 34 1.602 -0.622 -2.007 1.00 0.00 C ATOM 0 H PHE A 34 6.061 -1.173 -5.039 1.00 0.00 H new ATOM 0 HA PHE A 34 5.967 -3.150 -2.845 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.096 -3.195 -5.226 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.133 -4.313 -3.877 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.842 -3.137 -1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.495 -1.471 -5.189 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.381 -1.546 -0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.001 0.084 -3.956 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.965 0.066 -1.471 1.00 0.00 H new ATOM 549 N ASN A 35 7.618 -4.502 -4.026 1.00 0.00 N ATOM 550 CA ASN A 35 8.773 -5.183 -4.639 1.00 0.00 C ATOM 551 C ASN A 35 9.314 -6.350 -3.773 1.00 0.00 C ATOM 552 O ASN A 35 8.985 -7.506 -4.039 1.00 0.00 O ATOM 553 CB ASN A 35 9.862 -4.145 -5.001 1.00 0.00 C ATOM 554 CG ASN A 35 10.058 -3.024 -3.982 1.00 0.00 C ATOM 555 OD1 ASN A 35 10.357 -3.246 -2.815 1.00 0.00 O ATOM 556 ND2 ASN A 35 9.874 -1.790 -4.396 1.00 0.00 N ATOM 0 H ASN A 35 7.525 -4.684 -3.027 1.00 0.00 H new ATOM 0 HA ASN A 35 8.437 -5.657 -5.562 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.810 -4.667 -5.129 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.611 -3.699 -5.963 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.980 -1.012 -3.745 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.625 -1.610 -5.369 1.00 0.00 H new ATOM 563 N ASP A 36 10.090 -6.060 -2.721 1.00 0.00 N ATOM 564 CA ASP A 36 10.705 -7.028 -1.784 1.00 0.00 C ATOM 565 C ASP A 36 10.719 -6.559 -0.317 1.00 0.00 C ATOM 566 O ASP A 36 11.347 -7.174 0.547 1.00 0.00 O ATOM 567 CB ASP A 36 12.115 -7.419 -2.259 1.00 0.00 C ATOM 568 CG ASP A 36 13.192 -6.322 -2.084 1.00 0.00 C ATOM 569 OD1 ASP A 36 13.218 -5.362 -2.890 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.034 -6.438 -1.160 1.00 0.00 O ATOM 0 H ASP A 36 10.322 -5.096 -2.482 1.00 0.00 H new ATOM 0 HA ASP A 36 10.065 -7.910 -1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.432 -8.308 -1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.064 -7.692 -3.313 1.00 0.00 H new ATOM 575 N ASN A 37 9.995 -5.476 -0.041 1.00 0.00 N ATOM 576 CA ASN A 37 9.704 -5.002 1.316 1.00 0.00 C ATOM 577 C ASN A 37 8.988 -6.092 2.156 1.00 0.00 C ATOM 578 O ASN A 37 9.257 -6.259 3.348 1.00 0.00 O ATOM 579 CB ASN A 37 8.898 -3.689 1.244 1.00 0.00 C ATOM 580 CG ASN A 37 7.703 -3.647 0.293 1.00 0.00 C ATOM 581 OD1 ASN A 37 7.331 -4.613 -0.367 1.00 0.00 O ATOM 582 ND2 ASN A 37 7.097 -2.486 0.184 1.00 0.00 N ATOM 0 H ASN A 37 9.585 -4.889 -0.768 1.00 0.00 H new ATOM 0 HA ASN A 37 10.642 -4.794 1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.538 -3.460 2.247 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.582 -2.889 0.960 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.308 -2.380 -0.454 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.415 -1.691 0.738 1.00 0.00 H new ATOM 589 N GLY A 38 8.125 -6.866 1.492 1.00 0.00 N ATOM 590 CA GLY A 38 7.477 -8.046 2.083 1.00 0.00 C ATOM 591 C GLY A 38 6.697 -8.973 1.148 1.00 0.00 C ATOM 592 O GLY A 38 6.730 -10.189 1.345 1.00 0.00 O ATOM 0 H GLY A 38 7.853 -6.693 0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.247 -8.639 2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.794 -7.700 2.859 1.00 0.00 H new ATOM 596 N VAL A 39 6.008 -8.438 0.133 1.00 0.00 N ATOM 597 CA VAL A 39 5.111 -9.246 -0.719 1.00 0.00 C ATOM 598 C VAL A 39 5.858 -10.251 -1.616 1.00 0.00 C ATOM 599 O VAL A 39 5.494 -11.426 -1.630 1.00 0.00 O ATOM 600 CB VAL A 39 4.133 -8.358 -1.518 1.00 0.00 C ATOM 601 CG1 VAL A 39 4.800 -7.405 -2.520 1.00 0.00 C ATOM 602 CG2 VAL A 39 3.075 -9.194 -2.246 1.00 0.00 C ATOM 0 H VAL A 39 6.051 -7.451 -0.122 1.00 0.00 H new ATOM 0 HA VAL A 39 4.516 -9.856 -0.039 1.00 0.00 H new ATOM 0 HB VAL A 39 3.662 -7.735 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.035 -6.823 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.473 -6.732 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.367 -7.983 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.405 -8.534 -2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.565 -9.876 -2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.501 -9.768 -1.519 1.00 0.00 H new ATOM 612 N ASP A 40 6.921 -9.828 -2.321 1.00 0.00 N ATOM 613 CA ASP A 40 7.712 -10.629 -3.289 1.00 0.00 C ATOM 614 C ASP A 40 6.873 -11.613 -4.144 1.00 0.00 C ATOM 615 O ASP A 40 7.215 -12.787 -4.314 1.00 0.00 O ATOM 616 CB ASP A 40 8.891 -11.298 -2.546 1.00 0.00 C ATOM 617 CG ASP A 40 9.933 -11.978 -3.466 1.00 0.00 C ATOM 618 OD1 ASP A 40 10.278 -11.417 -4.535 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.447 -13.062 -3.092 1.00 0.00 O ATOM 0 H ASP A 40 7.274 -8.875 -2.232 1.00 0.00 H new ATOM 0 HA ASP A 40 8.114 -9.948 -4.039 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.397 -10.544 -1.942 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.493 -12.044 -1.858 1.00 0.00 H new ATOM 624 N GLY A 41 5.733 -11.130 -4.647 1.00 0.00 N ATOM 625 CA GLY A 41 4.689 -11.933 -5.300 1.00 0.00 C ATOM 626 C GLY A 41 4.641 -11.867 -6.835 1.00 0.00 C ATOM 627 O GLY A 41 5.385 -11.121 -7.479 1.00 0.00 O ATOM 0 H GLY A 41 5.502 -10.137 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.824 -12.974 -5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.721 -11.615 -4.913 1.00 0.00 H new ATOM 631 N GLU A 42 3.738 -12.659 -7.421 1.00 0.00 N ATOM 632 CA GLU A 42 3.400 -12.695 -8.859 1.00 0.00 C ATOM 633 C GLU A 42 2.463 -11.549 -9.251 1.00 0.00 C ATOM 634 O GLU A 42 1.464 -11.298 -8.576 1.00 0.00 O ATOM 635 CB GLU A 42 2.711 -14.030 -9.201 1.00 0.00 C ATOM 636 CG GLU A 42 2.403 -14.240 -10.687 1.00 0.00 C ATOM 637 CD GLU A 42 3.682 -14.362 -11.506 1.00 0.00 C ATOM 638 OE1 GLU A 42 4.175 -15.503 -11.667 1.00 0.00 O ATOM 639 OE2 GLU A 42 4.185 -13.327 -11.996 1.00 0.00 O ATOM 0 H GLU A 42 3.191 -13.330 -6.882 1.00 0.00 H new ATOM 0 HA GLU A 42 4.332 -12.590 -9.415 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.346 -14.847 -8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.779 -14.094 -8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.801 -15.140 -10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.809 -13.405 -11.059 1.00 0.00 H new ATOM 646 N TRP A 43 2.777 -10.878 -10.356 1.00 0.00 N ATOM 647 CA TRP A 43 2.010 -9.761 -10.919 1.00 0.00 C ATOM 648 C TRP A 43 1.015 -10.191 -12.020 1.00 0.00 C ATOM 649 O TRP A 43 1.268 -11.109 -12.807 1.00 0.00 O ATOM 650 CB TRP A 43 2.982 -8.690 -11.431 1.00 0.00 C ATOM 651 CG TRP A 43 3.665 -7.900 -10.351 1.00 0.00 C ATOM 652 CD1 TRP A 43 4.557 -8.388 -9.460 1.00 0.00 C ATOM 653 CD2 TRP A 43 3.493 -6.489 -10.003 1.00 0.00 C ATOM 654 NE1 TRP A 43 4.930 -7.397 -8.576 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.296 -6.207 -8.856 1.00 0.00 C ATOM 656 CE3 TRP A 43 2.732 -5.421 -10.532 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.332 -4.941 -8.256 1.00 0.00 C ATOM 658 CZ3 TRP A 43 2.773 -4.141 -9.945 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.566 -3.902 -8.808 1.00 0.00 C ATOM 0 H TRP A 43 3.604 -11.103 -10.908 1.00 0.00 H new ATOM 0 HA TRP A 43 1.393 -9.349 -10.120 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.742 -9.172 -12.047 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.437 -8.002 -12.077 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.923 -9.404 -9.443 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.592 -7.529 -7.811 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.110 -5.589 -11.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.941 -4.767 -7.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.191 -3.337 -10.371 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.586 -2.920 -8.360 1.00 0.00 H new ATOM 670 N THR A 44 -0.135 -9.520 -12.073 1.00 0.00 N ATOM 671 CA THR A 44 -1.157 -9.634 -13.135 1.00 0.00 C ATOM 672 C THR A 44 -1.711 -8.239 -13.487 1.00 0.00 C ATOM 673 O THR A 44 -1.669 -7.334 -12.648 1.00 0.00 O ATOM 674 CB THR A 44 -2.299 -10.581 -12.695 1.00 0.00 C ATOM 675 OG1 THR A 44 -1.799 -11.787 -12.149 1.00 0.00 O ATOM 676 CG2 THR A 44 -3.239 -10.989 -13.831 1.00 0.00 C ATOM 0 H THR A 44 -0.400 -8.851 -11.350 1.00 0.00 H new ATOM 0 HA THR A 44 -0.691 -10.059 -14.024 1.00 0.00 H new ATOM 0 HB THR A 44 -2.848 -9.997 -11.957 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.548 -12.360 -11.881 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.012 -11.652 -13.443 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.704 -10.099 -14.256 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.672 -11.506 -14.605 1.00 0.00 H new ATOM 684 N TYR A 45 -2.250 -8.039 -14.695 1.00 0.00 N ATOM 685 CA TYR A 45 -2.891 -6.783 -15.131 1.00 0.00 C ATOM 686 C TYR A 45 -4.107 -7.028 -16.043 1.00 0.00 C ATOM 687 O TYR A 45 -4.069 -7.888 -16.930 1.00 0.00 O ATOM 688 CB TYR A 45 -1.858 -5.916 -15.873 1.00 0.00 C ATOM 689 CG TYR A 45 -2.405 -4.620 -16.459 1.00 0.00 C ATOM 690 CD1 TYR A 45 -2.888 -3.609 -15.608 1.00 0.00 C ATOM 691 CD2 TYR A 45 -2.430 -4.418 -17.853 1.00 0.00 C ATOM 692 CE1 TYR A 45 -3.385 -2.405 -16.140 1.00 0.00 C ATOM 693 CE2 TYR A 45 -2.918 -3.209 -18.385 1.00 0.00 C ATOM 694 CZ TYR A 45 -3.394 -2.203 -17.528 1.00 0.00 C ATOM 695 OH TYR A 45 -3.860 -1.030 -18.039 1.00 0.00 O ATOM 0 H TYR A 45 -2.255 -8.760 -15.417 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.252 -6.271 -14.239 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.049 -5.672 -15.184 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.423 -6.506 -16.679 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.877 -3.758 -14.538 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -2.074 -5.193 -18.516 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.759 -1.637 -15.480 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.926 -3.055 -19.454 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.796 -1.051 -19.017 1.00 0.00 H new ATOM 705 N ASP A 46 -5.166 -6.239 -15.843 1.00 0.00 N ATOM 706 CA ASP A 46 -6.367 -6.151 -16.687 1.00 0.00 C ATOM 707 C ASP A 46 -6.518 -4.745 -17.269 1.00 0.00 C ATOM 708 O ASP A 46 -6.891 -3.796 -16.571 1.00 0.00 O ATOM 709 CB ASP A 46 -7.614 -6.565 -15.879 1.00 0.00 C ATOM 710 CG ASP A 46 -7.673 -8.075 -15.569 1.00 0.00 C ATOM 711 OD1 ASP A 46 -8.107 -8.855 -16.452 1.00 0.00 O ATOM 712 OD2 ASP A 46 -7.317 -8.481 -14.435 1.00 0.00 O ATOM 0 H ASP A 46 -5.214 -5.608 -15.043 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.261 -6.841 -17.524 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.631 -6.009 -14.942 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.508 -6.281 -16.434 1.00 0.00 H new ATOM 717 N ASP A 47 -6.241 -4.609 -18.567 1.00 0.00 N ATOM 718 CA ASP A 47 -6.407 -3.387 -19.360 1.00 0.00 C ATOM 719 C ASP A 47 -7.864 -2.912 -19.441 1.00 0.00 C ATOM 720 O ASP A 47 -8.135 -1.711 -19.456 1.00 0.00 O ATOM 721 CB ASP A 47 -5.832 -3.677 -20.760 1.00 0.00 C ATOM 722 CG ASP A 47 -6.675 -4.645 -21.622 1.00 0.00 C ATOM 723 OD1 ASP A 47 -6.710 -5.859 -21.307 1.00 0.00 O ATOM 724 OD2 ASP A 47 -7.308 -4.186 -22.603 1.00 0.00 O ATOM 0 H ASP A 47 -5.877 -5.384 -19.121 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.874 -2.568 -18.877 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.727 -2.734 -21.296 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.831 -4.093 -20.647 1.00 0.00 H new ATOM 729 N ALA A 48 -8.797 -3.862 -19.412 1.00 0.00 N ATOM 730 CA ALA A 48 -10.244 -3.627 -19.396 1.00 0.00 C ATOM 731 C ALA A 48 -10.705 -2.742 -18.220 1.00 0.00 C ATOM 732 O ALA A 48 -11.730 -2.061 -18.301 1.00 0.00 O ATOM 733 CB ALA A 48 -10.949 -4.982 -19.309 1.00 0.00 C ATOM 0 H ALA A 48 -8.560 -4.854 -19.398 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.501 -3.093 -20.311 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.028 -4.830 -19.296 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.678 -5.589 -20.173 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.643 -5.493 -18.396 1.00 0.00 H new ATOM 739 N THR A 49 -9.942 -2.771 -17.127 1.00 0.00 N ATOM 740 CA THR A 49 -10.286 -2.184 -15.828 1.00 0.00 C ATOM 741 C THR A 49 -9.175 -1.271 -15.274 1.00 0.00 C ATOM 742 O THR A 49 -9.236 -0.847 -14.118 1.00 0.00 O ATOM 743 CB THR A 49 -10.614 -3.308 -14.821 1.00 0.00 C ATOM 744 OG1 THR A 49 -9.451 -3.998 -14.432 1.00 0.00 O ATOM 745 CG2 THR A 49 -11.582 -4.365 -15.360 1.00 0.00 C ATOM 0 H THR A 49 -9.028 -3.223 -17.121 1.00 0.00 H new ATOM 0 HA THR A 49 -11.162 -1.553 -15.976 1.00 0.00 H new ATOM 0 HB THR A 49 -11.081 -2.788 -13.985 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.687 -4.703 -13.793 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.761 -5.119 -14.593 1.00 0.00 H new ATOM 0 HG22 THR A 49 -12.525 -3.890 -15.630 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.149 -4.839 -16.241 1.00 0.00 H new ATOM 753 N LYS A 50 -8.142 -0.970 -16.079 1.00 0.00 N ATOM 754 CA LYS A 50 -6.909 -0.256 -15.696 1.00 0.00 C ATOM 755 C LYS A 50 -6.358 -0.652 -14.305 1.00 0.00 C ATOM 756 O LYS A 50 -5.952 0.199 -13.507 1.00 0.00 O ATOM 757 CB LYS A 50 -7.107 1.262 -15.878 1.00 0.00 C ATOM 758 CG LYS A 50 -7.613 1.684 -17.271 1.00 0.00 C ATOM 759 CD LYS A 50 -6.711 1.197 -18.420 1.00 0.00 C ATOM 760 CE LYS A 50 -7.176 1.682 -19.799 1.00 0.00 C ATOM 761 NZ LYS A 50 -8.441 1.045 -20.223 1.00 0.00 N ATOM 0 H LYS A 50 -8.143 -1.231 -17.065 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.117 -0.575 -16.374 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.814 1.615 -15.127 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.159 1.764 -15.683 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.620 1.293 -17.418 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.684 2.771 -17.310 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.692 1.542 -18.245 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.684 0.107 -18.415 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.307 2.764 -19.776 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.401 1.471 -20.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.558 1.156 -21.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.417 0.033 -19.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.239 1.497 -19.733 1.00 0.00 H new ATOM 775 N THR A 51 -6.375 -1.954 -14.002 1.00 0.00 N ATOM 776 CA THR A 51 -6.060 -2.471 -12.653 1.00 0.00 C ATOM 777 C THR A 51 -5.014 -3.587 -12.679 1.00 0.00 C ATOM 778 O THR A 51 -5.084 -4.530 -13.471 1.00 0.00 O ATOM 779 CB THR A 51 -7.327 -2.936 -11.903 1.00 0.00 C ATOM 780 OG1 THR A 51 -8.266 -1.889 -11.775 1.00 0.00 O ATOM 781 CG2 THR A 51 -7.045 -3.408 -10.472 1.00 0.00 C ATOM 0 H THR A 51 -6.606 -2.682 -14.678 1.00 0.00 H new ATOM 0 HA THR A 51 -5.629 -1.632 -12.107 1.00 0.00 H new ATOM 0 HB THR A 51 -7.708 -3.760 -12.507 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.557 -1.600 -12.665 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.977 -3.721 -10.002 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.351 -4.248 -10.496 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.606 -2.591 -9.899 1.00 0.00 H new ATOM 789 N PHE A 52 -4.050 -3.477 -11.768 1.00 0.00 N ATOM 790 CA PHE A 52 -2.963 -4.408 -11.484 1.00 0.00 C ATOM 791 C PHE A 52 -3.287 -5.221 -10.220 1.00 0.00 C ATOM 792 O PHE A 52 -3.914 -4.720 -9.285 1.00 0.00 O ATOM 793 CB PHE A 52 -1.652 -3.636 -11.280 1.00 0.00 C ATOM 794 CG PHE A 52 -1.112 -2.965 -12.526 1.00 0.00 C ATOM 795 CD1 PHE A 52 -1.531 -1.665 -12.871 1.00 0.00 C ATOM 796 CD2 PHE A 52 -0.200 -3.648 -13.353 1.00 0.00 C ATOM 797 CE1 PHE A 52 -1.042 -1.049 -14.036 1.00 0.00 C ATOM 798 CE2 PHE A 52 0.274 -3.040 -14.527 1.00 0.00 C ATOM 799 CZ PHE A 52 -0.149 -1.744 -14.870 1.00 0.00 C ATOM 0 H PHE A 52 -4.007 -2.662 -11.156 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.850 -5.088 -12.328 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.809 -2.877 -10.514 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.897 -4.323 -10.898 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.231 -1.140 -12.238 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.135 -4.639 -13.085 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.351 -0.046 -14.289 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.964 -3.569 -15.167 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.213 -1.281 -15.776 1.00 0.00 H new ATOM 809 N THR A 53 -2.861 -6.477 -10.190 1.00 0.00 N ATOM 810 CA THR A 53 -2.957 -7.353 -9.011 1.00 0.00 C ATOM 811 C THR A 53 -1.574 -7.918 -8.660 1.00 0.00 C ATOM 812 O THR A 53 -0.761 -8.191 -9.547 1.00 0.00 O ATOM 813 CB THR A 53 -3.972 -8.489 -9.253 1.00 0.00 C ATOM 814 OG1 THR A 53 -5.219 -7.968 -9.665 1.00 0.00 O ATOM 815 CG2 THR A 53 -4.248 -9.339 -8.011 1.00 0.00 C ATOM 0 H THR A 53 -2.430 -6.932 -10.995 1.00 0.00 H new ATOM 0 HA THR A 53 -3.314 -6.763 -8.167 1.00 0.00 H new ATOM 0 HB THR A 53 -3.513 -9.112 -10.020 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.848 -8.705 -9.815 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.971 -10.117 -8.256 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.320 -9.799 -7.671 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.650 -8.707 -7.219 1.00 0.00 H new ATOM 823 N VAL A 54 -1.309 -8.080 -7.363 1.00 0.00 N ATOM 824 CA VAL A 54 -0.066 -8.632 -6.787 1.00 0.00 C ATOM 825 C VAL A 54 -0.431 -9.670 -5.722 1.00 0.00 C ATOM 826 O VAL A 54 -1.175 -9.363 -4.791 1.00 0.00 O ATOM 827 CB VAL A 54 0.835 -7.537 -6.178 1.00 0.00 C ATOM 828 CG1 VAL A 54 2.213 -8.110 -5.822 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.061 -6.370 -7.146 1.00 0.00 C ATOM 0 H VAL A 54 -1.984 -7.819 -6.644 1.00 0.00 H new ATOM 0 HA VAL A 54 0.504 -9.098 -7.591 1.00 0.00 H new ATOM 0 HB VAL A 54 0.318 -7.177 -5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.835 -7.324 -5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.096 -8.915 -5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.689 -8.499 -6.722 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.701 -5.624 -6.674 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.541 -6.737 -8.053 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.103 -5.917 -7.400 1.00 0.00 H new ATOM 839 N THR A 55 0.052 -10.897 -5.902 1.00 0.00 N ATOM 840 CA THR A 55 -0.313 -12.062 -5.066 1.00 0.00 C ATOM 841 C THR A 55 0.889 -12.919 -4.635 1.00 0.00 C ATOM 842 O THR A 55 1.785 -13.164 -5.446 1.00 0.00 O ATOM 843 CB THR A 55 -1.414 -12.890 -5.762 1.00 0.00 C ATOM 844 OG1 THR A 55 -2.543 -12.087 -6.043 1.00 0.00 O ATOM 845 CG2 THR A 55 -1.934 -14.065 -4.933 1.00 0.00 C ATOM 0 H THR A 55 0.718 -11.124 -6.640 1.00 0.00 H new ATOM 0 HA THR A 55 -0.714 -11.672 -4.130 1.00 0.00 H new ATOM 0 HB THR A 55 -0.932 -13.271 -6.662 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.229 -12.630 -6.485 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.704 -14.594 -5.494 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.113 -14.747 -4.713 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.356 -13.693 -4.000 1.00 0.00 H new ATOM 853 N GLU A 56 0.917 -13.404 -3.381 1.00 0.00 N ATOM 854 CA GLU A 56 1.892 -14.409 -2.896 1.00 0.00 C ATOM 855 C GLU A 56 1.514 -15.820 -3.355 1.00 0.00 C ATOM 856 O GLU A 56 0.381 -16.263 -3.065 1.00 0.00 O ATOM 857 CB GLU A 56 2.013 -14.397 -1.363 1.00 0.00 C ATOM 858 CG GLU A 56 2.969 -13.311 -0.866 1.00 0.00 C ATOM 859 CD GLU A 56 3.286 -13.518 0.608 1.00 0.00 C ATOM 860 OE1 GLU A 56 4.084 -14.427 0.926 1.00 0.00 O ATOM 861 OE2 GLU A 56 2.729 -12.773 1.444 1.00 0.00 O ATOM 862 OXT GLU A 56 2.364 -16.476 -3.994 1.00 0.00 O ATOM 0 H GLU A 56 0.256 -13.108 -2.663 1.00 0.00 H new ATOM 0 HA GLU A 56 2.855 -14.135 -3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.028 -14.240 -0.924 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.363 -15.371 -1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.890 -13.333 -1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.522 -12.328 -1.014 1.00 0.00 H new ATOM 870 N MET B 1 -3.854 -9.405 16.764 1.00 0.00 N ATOM 871 CA MET B 1 -5.040 -8.587 16.409 1.00 0.00 C ATOM 872 C MET B 1 -4.850 -7.928 15.046 1.00 0.00 C ATOM 873 O MET B 1 -3.720 -7.721 14.609 1.00 0.00 O ATOM 874 CB MET B 1 -5.333 -7.565 17.528 1.00 0.00 C ATOM 875 CG MET B 1 -6.601 -6.721 17.329 1.00 0.00 C ATOM 876 SD MET B 1 -8.131 -7.638 16.969 1.00 0.00 S ATOM 877 CE MET B 1 -8.361 -8.541 18.525 1.00 0.00 C ATOM 0 H1 MET B 1 -4.036 -9.912 17.653 1.00 0.00 H new ATOM 0 H2 MET B 1 -3.666 -10.092 16.006 1.00 0.00 H new ATOM 0 H3 MET B 1 -3.027 -8.785 16.882 1.00 0.00 H new ATOM 0 HA MET B 1 -5.914 -9.233 16.325 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.417 -8.100 18.474 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.479 -6.893 17.617 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.762 -6.127 18.229 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.422 -6.021 16.513 1.00 0.00 H new ATOM 0 HE1 MET B 1 -9.262 -9.151 18.462 1.00 0.00 H new ATOM 0 HE2 MET B 1 -7.499 -9.184 18.704 1.00 0.00 H new ATOM 0 HE3 MET B 1 -8.461 -7.831 19.346 1.00 0.00 H new ATOM 889 N GLN B 2 -5.953 -7.624 14.353 1.00 0.00 N ATOM 890 CA GLN B 2 -5.946 -6.912 13.064 1.00 0.00 C ATOM 891 C GLN B 2 -5.752 -5.393 13.263 1.00 0.00 C ATOM 892 O GLN B 2 -6.468 -4.772 14.052 1.00 0.00 O ATOM 893 CB GLN B 2 -7.272 -7.167 12.317 1.00 0.00 C ATOM 894 CG GLN B 2 -7.188 -6.839 10.817 1.00 0.00 C ATOM 895 CD GLN B 2 -6.890 -8.068 9.986 1.00 0.00 C ATOM 896 OE1 GLN B 2 -7.786 -8.778 9.549 1.00 0.00 O ATOM 897 NE2 GLN B 2 -5.632 -8.355 9.744 1.00 0.00 N ATOM 0 H GLN B 2 -6.890 -7.868 14.674 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.110 -7.291 12.475 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -7.557 -8.212 12.440 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.060 -6.566 12.771 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.129 -6.398 10.489 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -6.412 -6.092 10.652 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -4.892 -7.757 10.113 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.394 -9.176 9.187 1.00 0.00 H new ATOM 906 N TYR B 3 -4.816 -4.798 12.525 1.00 0.00 N ATOM 907 CA TYR B 3 -4.573 -3.347 12.435 1.00 0.00 C ATOM 908 C TYR B 3 -4.623 -2.848 10.977 1.00 0.00 C ATOM 909 O TYR B 3 -4.496 -3.646 10.045 1.00 0.00 O ATOM 910 CB TYR B 3 -3.227 -3.018 13.088 1.00 0.00 C ATOM 911 CG TYR B 3 -3.152 -3.316 14.577 1.00 0.00 C ATOM 912 CD1 TYR B 3 -2.753 -4.590 15.026 1.00 0.00 C ATOM 913 CD2 TYR B 3 -3.478 -2.319 15.517 1.00 0.00 C ATOM 914 CE1 TYR B 3 -2.691 -4.869 16.403 1.00 0.00 C ATOM 915 CE2 TYR B 3 -3.437 -2.606 16.894 1.00 0.00 C ATOM 916 CZ TYR B 3 -3.046 -3.881 17.335 1.00 0.00 C ATOM 917 OH TYR B 3 -3.012 -4.165 18.666 1.00 0.00 O ATOM 0 H TYR B 3 -4.172 -5.334 11.943 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.368 -2.827 12.970 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.445 -3.581 12.579 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.012 -1.961 12.932 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.494 -5.356 14.310 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -3.760 -1.332 15.180 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.371 -5.843 16.743 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -3.706 -1.846 17.612 1.00 0.00 H new ATOM 0 HH TYR B 3 -3.285 -3.374 19.176 1.00 0.00 H new ATOM 927 N LYS B 4 -4.791 -1.542 10.760 1.00 0.00 N ATOM 928 CA LYS B 4 -5.042 -0.930 9.441 1.00 0.00 C ATOM 929 C LYS B 4 -4.194 0.345 9.196 1.00 0.00 C ATOM 930 O LYS B 4 -3.811 1.023 10.147 1.00 0.00 O ATOM 931 CB LYS B 4 -6.554 -0.656 9.355 1.00 0.00 C ATOM 932 CG LYS B 4 -7.031 -0.218 7.964 1.00 0.00 C ATOM 933 CD LYS B 4 -8.535 0.070 7.940 1.00 0.00 C ATOM 934 CE LYS B 4 -8.892 0.566 6.536 1.00 0.00 C ATOM 935 NZ LYS B 4 -10.307 0.963 6.417 1.00 0.00 N ATOM 0 H LYS B 4 -4.756 -0.856 11.514 1.00 0.00 H new ATOM 0 HA LYS B 4 -4.733 -1.612 8.649 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.093 -1.558 9.645 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -6.814 0.118 10.077 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -6.486 0.675 7.658 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -6.799 -0.998 7.239 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.101 -0.830 8.183 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -8.793 0.820 8.688 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.258 1.416 6.283 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.677 -0.220 5.812 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.443 1.505 5.540 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -10.905 0.113 6.395 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.572 1.552 7.232 1.00 0.00 H new ATOM 949 N LEU B 5 -3.937 0.696 7.931 1.00 0.00 N ATOM 950 CA LEU B 5 -3.158 1.856 7.466 1.00 0.00 C ATOM 951 C LEU B 5 -3.888 2.579 6.315 1.00 0.00 C ATOM 952 O LEU B 5 -4.190 1.958 5.297 1.00 0.00 O ATOM 953 CB LEU B 5 -1.787 1.328 7.000 1.00 0.00 C ATOM 954 CG LEU B 5 -0.631 2.302 6.704 1.00 0.00 C ATOM 955 CD1 LEU B 5 -0.843 3.185 5.477 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.296 3.185 7.900 1.00 0.00 C ATOM 0 H LEU B 5 -4.290 0.142 7.151 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.034 2.582 8.270 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.434 0.633 7.762 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.958 0.747 6.094 1.00 0.00 H new ATOM 0 HG LEU B 5 0.209 1.642 6.487 1.00 0.00 H new ATOM 0 HD11 LEU B 5 0.020 3.838 5.345 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.962 2.558 4.593 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -1.739 3.791 5.615 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.525 3.853 7.640 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.171 3.774 8.174 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.002 2.560 8.743 1.00 0.00 H new ATOM 968 N ILE B 6 -4.134 3.881 6.442 1.00 0.00 N ATOM 969 CA ILE B 6 -4.705 4.752 5.392 1.00 0.00 C ATOM 970 C ILE B 6 -3.596 5.646 4.821 1.00 0.00 C ATOM 971 O ILE B 6 -2.907 6.323 5.587 1.00 0.00 O ATOM 972 CB ILE B 6 -5.841 5.628 5.978 1.00 0.00 C ATOM 973 CG1 ILE B 6 -6.918 4.755 6.660 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.447 6.532 4.881 1.00 0.00 C ATOM 975 CD1 ILE B 6 -8.045 5.547 7.335 1.00 0.00 C ATOM 0 H ILE B 6 -3.938 4.386 7.306 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.122 4.132 4.598 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.418 6.276 6.746 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.354 4.090 5.915 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.437 4.124 7.407 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.243 7.140 5.310 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.672 7.182 4.476 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -6.854 5.912 4.082 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.755 4.855 7.787 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.625 6.192 8.107 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.557 6.158 6.591 1.00 0.00 H new ATOM 987 N LEU B 7 -3.415 5.700 3.502 1.00 0.00 N ATOM 988 CA LEU B 7 -2.378 6.461 2.802 1.00 0.00 C ATOM 989 C LEU B 7 -3.003 7.639 2.025 1.00 0.00 C ATOM 990 O LEU B 7 -3.841 7.426 1.143 1.00 0.00 O ATOM 991 CB LEU B 7 -1.632 5.494 1.860 1.00 0.00 C ATOM 992 CG LEU B 7 -0.493 6.150 1.056 1.00 0.00 C ATOM 993 CD1 LEU B 7 0.634 6.673 1.950 1.00 0.00 C ATOM 994 CD2 LEU B 7 0.097 5.140 0.077 1.00 0.00 C ATOM 0 H LEU B 7 -4.018 5.188 2.859 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.673 6.890 3.514 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.221 4.675 2.450 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -2.348 5.057 1.164 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.929 6.998 0.529 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.409 7.125 1.331 1.00 0.00 H new ATOM 0 HD12 LEU B 7 0.237 7.420 2.637 1.00 0.00 H new ATOM 0 HD13 LEU B 7 1.060 5.847 2.519 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.902 5.609 -0.489 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.491 4.286 0.628 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.680 4.802 -0.609 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.601 8.867 2.355 1.00 0.00 N ATOM 1007 CA ASN B 8 -2.978 10.075 1.619 1.00 0.00 C ATOM 1008 C ASN B 8 -1.703 10.753 1.073 1.00 0.00 C ATOM 1009 O ASN B 8 -0.723 10.946 1.798 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.761 11.048 2.516 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.816 10.406 3.396 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -5.994 10.335 3.065 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -4.402 9.972 4.565 1.00 0.00 N ATOM 0 H ASN B 8 -1.995 9.053 3.154 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.628 9.796 0.790 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -3.054 11.580 3.153 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.243 11.793 1.883 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -5.067 9.564 5.222 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.416 10.043 4.815 1.00 0.00 H new ATOM 1020 N GLY B 9 -1.716 11.111 -0.206 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.557 11.663 -0.922 1.00 0.00 C ATOM 1022 C GLY B 9 -0.809 11.958 -2.402 1.00 0.00 C ATOM 1023 O GLY B 9 -1.929 11.817 -2.899 1.00 0.00 O ATOM 0 H GLY B 9 -2.547 11.026 -0.792 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.246 12.584 -0.429 1.00 0.00 H new ATOM 0 HA3 GLY B 9 0.273 10.961 -0.840 1.00 0.00 H new ATOM 1027 N LYS B 10 0.233 12.402 -3.100 1.00 0.00 N ATOM 1028 CA LYS B 10 0.166 12.926 -4.472 1.00 0.00 C ATOM 1029 C LYS B 10 0.752 11.949 -5.514 1.00 0.00 C ATOM 1030 O LYS B 10 0.284 11.903 -6.655 1.00 0.00 O ATOM 1031 CB LYS B 10 0.884 14.288 -4.514 1.00 0.00 C ATOM 1032 CG LYS B 10 0.357 15.323 -3.494 1.00 0.00 C ATOM 1033 CD LYS B 10 -1.135 15.684 -3.642 1.00 0.00 C ATOM 1034 CE LYS B 10 -1.533 16.217 -5.028 1.00 0.00 C ATOM 1035 NZ LYS B 10 -0.919 17.528 -5.332 1.00 0.00 N ATOM 0 H LYS B 10 1.179 12.410 -2.719 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.882 13.049 -4.744 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.947 14.129 -4.335 1.00 0.00 H new ATOM 0 HB3 LYS B 10 0.788 14.704 -5.517 1.00 0.00 H new ATOM 0 HG2 LYS B 10 0.524 14.937 -2.488 1.00 0.00 H new ATOM 0 HG3 LYS B 10 0.947 16.235 -3.587 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.732 14.799 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -1.389 16.434 -2.893 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -1.236 15.496 -5.789 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -2.618 16.307 -5.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -1.220 17.841 -6.277 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -1.222 18.226 -4.623 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 0.117 17.440 -5.310 1.00 0.00 H new ATOM 1049 N THR B 11 1.732 11.129 -5.125 1.00 0.00 N ATOM 1050 CA THR B 11 2.247 9.999 -5.926 1.00 0.00 C ATOM 1051 C THR B 11 1.283 8.799 -5.877 1.00 0.00 C ATOM 1052 O THR B 11 0.969 8.187 -6.903 1.00 0.00 O ATOM 1053 CB THR B 11 3.607 9.526 -5.378 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.551 9.380 -3.974 1.00 0.00 O ATOM 1055 CG2 THR B 11 4.735 10.510 -5.693 1.00 0.00 C ATOM 0 H THR B 11 2.204 11.229 -4.226 1.00 0.00 H new ATOM 0 HA THR B 11 2.348 10.354 -6.952 1.00 0.00 H new ATOM 0 HB THR B 11 3.815 8.573 -5.864 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.004 8.551 -3.713 1.00 0.00 H new ATOM 0 HG21 THR B 11 5.672 10.131 -5.286 1.00 0.00 H new ATOM 0 HG22 THR B 11 4.828 10.623 -6.773 1.00 0.00 H new ATOM 0 HG23 THR B 11 4.509 11.478 -5.245 1.00 0.00 H new ATOM 1063 N LEU B 12 0.785 8.488 -4.677 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.066 7.332 -4.385 1.00 0.00 C ATOM 1065 C LEU B 12 -1.103 7.626 -3.279 1.00 0.00 C ATOM 1066 O LEU B 12 -0.817 8.344 -2.317 1.00 0.00 O ATOM 1067 CB LEU B 12 0.865 6.167 -3.977 1.00 0.00 C ATOM 1068 CG LEU B 12 0.205 4.776 -3.997 1.00 0.00 C ATOM 1069 CD1 LEU B 12 -0.074 4.315 -5.425 1.00 0.00 C ATOM 1070 CD2 LEU B 12 1.121 3.733 -3.369 1.00 0.00 C ATOM 0 H LEU B 12 0.971 9.057 -3.851 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.647 7.075 -5.271 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.725 6.156 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU B 12 1.246 6.359 -2.974 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.725 4.867 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.540 3.330 -5.405 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.744 5.024 -5.912 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.863 4.262 -5.980 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.634 2.758 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU B 12 2.056 3.686 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.330 4.007 -2.335 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.286 7.020 -3.394 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.330 6.995 -2.354 1.00 0.00 C ATOM 1084 C LYS B 13 -3.816 5.549 -2.139 1.00 0.00 C ATOM 1085 O LYS B 13 -3.764 4.746 -3.072 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.514 7.884 -2.771 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.145 9.367 -2.924 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.379 10.197 -3.303 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.000 11.670 -3.495 1.00 0.00 C ATOM 1090 NZ LYS B 13 -6.166 12.493 -3.878 1.00 0.00 N ATOM 0 H LYS B 13 -2.558 6.516 -4.238 1.00 0.00 H new ATOM 0 HA LYS B 13 -2.911 7.377 -1.423 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -4.917 7.519 -3.716 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.307 7.790 -2.029 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -3.722 9.740 -1.991 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.377 9.479 -3.689 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -5.819 9.806 -4.221 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -6.136 10.109 -2.524 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.570 12.058 -2.572 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -4.231 11.750 -4.263 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.868 13.482 -3.998 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -6.562 12.139 -4.772 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -6.890 12.437 -3.133 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.296 5.187 -0.948 1.00 0.00 N ATOM 1105 CA GLY B 14 -4.749 3.810 -0.687 1.00 0.00 C ATOM 1106 C GLY B 14 -5.056 3.450 0.768 1.00 0.00 C ATOM 1107 O GLY B 14 -5.061 4.302 1.656 1.00 0.00 O ATOM 0 H GLY B 14 -4.383 5.819 -0.152 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -5.647 3.630 -1.278 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -3.984 3.125 -1.052 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.299 2.157 0.999 1.00 0.00 N ATOM 1112 CA GLU B 15 -5.608 1.530 2.302 1.00 0.00 C ATOM 1113 C GLU B 15 -5.035 0.114 2.383 1.00 0.00 C ATOM 1114 O GLU B 15 -5.206 -0.677 1.456 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.125 1.410 2.527 1.00 0.00 C ATOM 1116 CG GLU B 15 -7.849 2.746 2.670 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.344 2.506 2.828 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -9.791 2.258 3.969 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.067 2.566 1.809 1.00 0.00 O ATOM 0 H GLU B 15 -5.286 1.474 0.242 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.161 2.174 3.059 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -7.562 0.862 1.692 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.301 0.817 3.425 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.465 3.288 3.534 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.661 3.368 1.795 1.00 0.00 H new ATOM 1126 N THR B 16 -4.384 -0.219 3.495 1.00 0.00 N ATOM 1127 CA THR B 16 -3.819 -1.560 3.758 1.00 0.00 C ATOM 1128 C THR B 16 -4.117 -2.068 5.178 1.00 0.00 C ATOM 1129 O THR B 16 -4.532 -1.303 6.052 1.00 0.00 O ATOM 1130 CB THR B 16 -2.298 -1.638 3.485 1.00 0.00 C ATOM 1131 OG1 THR B 16 -1.525 -1.130 4.541 1.00 0.00 O ATOM 1132 CG2 THR B 16 -1.826 -0.895 2.237 1.00 0.00 C ATOM 0 H THR B 16 -4.226 0.440 4.258 1.00 0.00 H new ATOM 0 HA THR B 16 -4.326 -2.215 3.049 1.00 0.00 H new ATOM 0 HB THR B 16 -2.151 -2.710 3.352 1.00 0.00 H new ATOM 0 HG1 THR B 16 -1.365 -1.838 5.200 1.00 0.00 H new ATOM 0 HG21 THR B 16 -0.747 -1.009 2.132 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.322 -1.308 1.358 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.072 0.163 2.329 1.00 0.00 H new ATOM 1140 N THR B 17 -3.913 -3.361 5.422 1.00 0.00 N ATOM 1141 CA THR B 17 -4.296 -4.067 6.658 1.00 0.00 C ATOM 1142 C THR B 17 -3.268 -5.160 6.992 1.00 0.00 C ATOM 1143 O THR B 17 -2.706 -5.789 6.093 1.00 0.00 O ATOM 1144 CB THR B 17 -5.700 -4.712 6.522 1.00 0.00 C ATOM 1145 OG1 THR B 17 -6.599 -3.925 5.763 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.384 -4.945 7.866 1.00 0.00 C ATOM 0 H THR B 17 -3.460 -3.974 4.744 1.00 0.00 H new ATOM 0 HA THR B 17 -4.323 -3.332 7.462 1.00 0.00 H new ATOM 0 HB THR B 17 -5.494 -5.659 6.022 1.00 0.00 H new ATOM 0 HG1 THR B 17 -7.466 -4.379 5.709 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.362 -5.398 7.703 1.00 0.00 H new ATOM 0 HG22 THR B 17 -5.772 -5.611 8.475 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.507 -3.993 8.382 1.00 0.00 H new ATOM 1154 N THR B 18 -3.020 -5.400 8.280 1.00 0.00 N ATOM 1155 CA THR B 18 -2.042 -6.375 8.809 1.00 0.00 C ATOM 1156 C THR B 18 -2.573 -7.058 10.079 1.00 0.00 C ATOM 1157 O THR B 18 -3.538 -6.587 10.684 1.00 0.00 O ATOM 1158 CB THR B 18 -0.689 -5.682 9.107 1.00 0.00 C ATOM 1159 OG1 THR B 18 0.340 -6.618 9.336 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.713 -4.773 10.340 1.00 0.00 C ATOM 0 H THR B 18 -3.512 -4.903 9.022 1.00 0.00 H new ATOM 0 HA THR B 18 -1.888 -7.139 8.047 1.00 0.00 H new ATOM 0 HB THR B 18 -0.506 -5.085 8.214 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.614 -7.018 8.484 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.271 -4.325 10.481 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.453 -3.985 10.197 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.974 -5.361 11.220 1.00 0.00 H new ATOM 1168 N GLU B 19 -1.956 -8.162 10.509 1.00 0.00 N ATOM 1169 CA GLU B 19 -2.224 -8.858 11.785 1.00 0.00 C ATOM 1170 C GLU B 19 -0.919 -8.928 12.576 1.00 0.00 C ATOM 1171 O GLU B 19 0.098 -9.417 12.078 1.00 0.00 O ATOM 1172 CB GLU B 19 -2.866 -10.231 11.527 1.00 0.00 C ATOM 1173 CG GLU B 19 -3.547 -10.881 12.730 1.00 0.00 C ATOM 1174 CD GLU B 19 -2.560 -11.474 13.722 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -1.827 -12.417 13.354 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -2.564 -11.016 14.884 1.00 0.00 O ATOM 0 H GLU B 19 -1.227 -8.619 9.962 1.00 0.00 H new ATOM 0 HA GLU B 19 -2.949 -8.309 12.387 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -3.602 -10.123 10.730 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -2.095 -10.908 11.159 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -4.162 -10.138 13.238 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.218 -11.665 12.381 1.00 0.00 H new ATOM 1183 N ALA B 20 -0.936 -8.328 13.762 1.00 0.00 N ATOM 1184 CA ALA B 20 0.222 -8.075 14.603 1.00 0.00 C ATOM 1185 C ALA B 20 -0.047 -8.400 16.079 1.00 0.00 C ATOM 1186 O ALA B 20 -1.184 -8.332 16.560 1.00 0.00 O ATOM 1187 CB ALA B 20 0.605 -6.608 14.425 1.00 0.00 C ATOM 0 H ALA B 20 -1.802 -7.989 14.181 1.00 0.00 H new ATOM 0 HA ALA B 20 1.041 -8.728 14.301 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.473 -6.381 15.043 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.845 -6.419 13.379 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -0.230 -5.975 14.726 1.00 0.00 H new ATOM 1193 N VAL B 21 1.021 -8.701 16.817 1.00 0.00 N ATOM 1194 CA VAL B 21 0.946 -8.968 18.268 1.00 0.00 C ATOM 1195 C VAL B 21 0.494 -7.729 19.058 1.00 0.00 C ATOM 1196 O VAL B 21 -0.281 -7.857 20.010 1.00 0.00 O ATOM 1197 CB VAL B 21 2.275 -9.544 18.794 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.464 -8.657 18.423 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.279 -9.799 20.305 1.00 0.00 C ATOM 0 H VAL B 21 1.964 -8.769 16.435 1.00 0.00 H new ATOM 0 HA VAL B 21 0.179 -9.727 18.425 1.00 0.00 H new ATOM 0 HB VAL B 21 2.376 -10.511 18.300 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.382 -9.098 18.812 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.532 -8.575 17.338 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.327 -7.665 18.854 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.246 -10.204 20.603 1.00 0.00 H new ATOM 0 HG22 VAL B 21 2.100 -8.862 20.833 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.494 -10.513 20.556 1.00 0.00 H new ATOM 1209 N ASP B 22 0.895 -6.523 18.631 1.00 0.00 N ATOM 1210 CA ASP B 22 0.438 -5.227 19.153 1.00 0.00 C ATOM 1211 C ASP B 22 0.616 -4.123 18.095 1.00 0.00 C ATOM 1212 O ASP B 22 1.273 -4.314 17.066 1.00 0.00 O ATOM 1213 CB ASP B 22 1.253 -4.869 20.420 1.00 0.00 C ATOM 1214 CG ASP B 22 0.606 -3.849 21.388 1.00 0.00 C ATOM 1215 OD1 ASP B 22 -0.530 -3.378 21.138 1.00 0.00 O ATOM 1216 OD2 ASP B 22 1.257 -3.515 22.407 1.00 0.00 O ATOM 0 H ASP B 22 1.577 -6.420 17.879 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.621 -5.301 19.402 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.448 -5.788 20.972 1.00 0.00 H new ATOM 0 HB3 ASP B 22 2.220 -4.476 20.105 1.00 0.00 H new ATOM 1221 N ALA B 23 0.093 -2.945 18.405 1.00 0.00 N ATOM 1222 CA ALA B 23 0.154 -1.736 17.577 1.00 0.00 C ATOM 1223 C ALA B 23 1.598 -1.354 17.173 1.00 0.00 C ATOM 1224 O ALA B 23 1.830 -0.848 16.079 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.544 -0.591 18.319 1.00 0.00 C ATOM 0 H ALA B 23 -0.410 -2.793 19.279 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.365 -1.938 16.640 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.504 0.313 17.712 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.584 -0.858 18.504 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -0.040 -0.413 19.269 1.00 0.00 H new ATOM 1231 N ALA B 24 2.584 -1.671 18.019 1.00 0.00 N ATOM 1232 CA ALA B 24 4.011 -1.472 17.795 1.00 0.00 C ATOM 1233 C ALA B 24 4.569 -2.385 16.686 1.00 0.00 C ATOM 1234 O ALA B 24 5.416 -1.966 15.900 1.00 0.00 O ATOM 1235 CB ALA B 24 4.752 -1.712 19.115 1.00 0.00 C ATOM 0 H ALA B 24 2.392 -2.096 18.926 1.00 0.00 H new ATOM 0 HA ALA B 24 4.165 -0.448 17.454 1.00 0.00 H new ATOM 0 HB1 ALA B 24 5.822 -1.567 18.963 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.393 -1.009 19.867 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.569 -2.731 19.455 1.00 0.00 H new ATOM 1241 N THR B 25 4.065 -3.620 16.582 1.00 0.00 N ATOM 1242 CA THR B 25 4.385 -4.531 15.468 1.00 0.00 C ATOM 1243 C THR B 25 3.598 -4.166 14.200 1.00 0.00 C ATOM 1244 O THR B 25 4.167 -4.173 13.112 1.00 0.00 O ATOM 1245 CB THR B 25 4.189 -5.997 15.865 1.00 0.00 C ATOM 1246 OG1 THR B 25 5.060 -6.305 16.933 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.497 -6.994 14.745 1.00 0.00 C ATOM 0 H THR B 25 3.423 -4.020 17.266 1.00 0.00 H new ATOM 0 HA THR B 25 5.442 -4.406 15.234 1.00 0.00 H new ATOM 0 HB THR B 25 3.135 -6.095 16.126 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.308 -7.252 16.890 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.334 -8.009 15.107 1.00 0.00 H new ATOM 0 HG22 THR B 25 3.841 -6.801 13.896 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.536 -6.882 14.434 1.00 0.00 H new ATOM 1255 N ALA B 26 2.337 -3.732 14.302 1.00 0.00 N ATOM 1256 CA ALA B 26 1.591 -3.237 13.132 1.00 0.00 C ATOM 1257 C ALA B 26 2.211 -1.976 12.490 1.00 0.00 C ATOM 1258 O ALA B 26 2.380 -1.920 11.271 1.00 0.00 O ATOM 1259 CB ALA B 26 0.150 -2.956 13.544 1.00 0.00 C ATOM 0 H ALA B 26 1.811 -3.712 15.176 1.00 0.00 H new ATOM 0 HA ALA B 26 1.635 -4.016 12.371 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.409 -2.589 12.684 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.309 -3.874 13.911 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.137 -2.204 14.333 1.00 0.00 H new ATOM 1265 N GLU B 27 2.641 -1.023 13.328 1.00 0.00 N ATOM 1266 CA GLU B 27 3.434 0.135 12.853 1.00 0.00 C ATOM 1267 C GLU B 27 4.816 -0.267 12.363 1.00 0.00 C ATOM 1268 O GLU B 27 5.289 0.309 11.388 1.00 0.00 O ATOM 1269 CB GLU B 27 3.517 1.338 13.803 1.00 0.00 C ATOM 1270 CG GLU B 27 4.470 1.193 14.983 1.00 0.00 C ATOM 1271 CD GLU B 27 4.582 2.516 15.722 1.00 0.00 C ATOM 1272 OE1 GLU B 27 5.423 3.345 15.305 1.00 0.00 O ATOM 1273 OE2 GLU B 27 3.851 2.719 16.717 1.00 0.00 O ATOM 0 H GLU B 27 2.459 -1.024 14.332 1.00 0.00 H new ATOM 0 HA GLU B 27 2.848 0.494 12.007 1.00 0.00 H new ATOM 0 HB2 GLU B 27 3.817 2.212 13.225 1.00 0.00 H new ATOM 0 HB3 GLU B 27 2.518 1.539 14.191 1.00 0.00 H new ATOM 0 HG2 GLU B 27 4.110 0.418 15.659 1.00 0.00 H new ATOM 0 HG3 GLU B 27 5.453 0.878 14.632 1.00 0.00 H new ATOM 1280 N LYS B 28 5.435 -1.296 12.952 1.00 0.00 N ATOM 1281 CA LYS B 28 6.682 -1.851 12.392 1.00 0.00 C ATOM 1282 C LYS B 28 6.475 -2.422 10.971 1.00 0.00 C ATOM 1283 O LYS B 28 7.234 -2.085 10.058 1.00 0.00 O ATOM 1284 CB LYS B 28 7.275 -2.897 13.352 1.00 0.00 C ATOM 1285 CG LYS B 28 8.676 -3.386 12.947 1.00 0.00 C ATOM 1286 CD LYS B 28 9.170 -4.536 13.842 1.00 0.00 C ATOM 1287 CE LYS B 28 9.255 -4.143 15.324 1.00 0.00 C ATOM 1288 NZ LYS B 28 9.782 -5.244 16.156 1.00 0.00 N ATOM 0 H LYS B 28 5.105 -1.757 13.800 1.00 0.00 H new ATOM 0 HA LYS B 28 7.400 -1.037 12.290 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.325 -2.470 14.354 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.602 -3.753 13.403 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.657 -3.718 11.909 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.380 -2.555 13.004 1.00 0.00 H new ATOM 0 HD2 LYS B 28 8.498 -5.388 13.735 1.00 0.00 H new ATOM 0 HD3 LYS B 28 10.153 -4.860 13.500 1.00 0.00 H new ATOM 0 HE2 LYS B 28 9.896 -3.268 15.431 1.00 0.00 H new ATOM 0 HE3 LYS B 28 8.265 -3.859 15.682 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 9.824 -4.939 17.149 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 9.157 -6.071 16.074 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 10.737 -5.498 15.831 1.00 0.00 H new ATOM 1302 N VAL B 29 5.433 -3.231 10.742 1.00 0.00 N ATOM 1303 CA VAL B 29 5.082 -3.745 9.397 1.00 0.00 C ATOM 1304 C VAL B 29 4.751 -2.603 8.422 1.00 0.00 C ATOM 1305 O VAL B 29 5.357 -2.503 7.354 1.00 0.00 O ATOM 1306 CB VAL B 29 3.923 -4.765 9.452 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.476 -5.221 8.055 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.346 -6.031 10.212 1.00 0.00 C ATOM 0 H VAL B 29 4.805 -3.552 11.479 1.00 0.00 H new ATOM 0 HA VAL B 29 5.964 -4.265 9.023 1.00 0.00 H new ATOM 0 HB VAL B 29 3.104 -4.251 9.954 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.660 -5.937 8.150 1.00 0.00 H new ATOM 0 HG12 VAL B 29 3.137 -4.358 7.482 1.00 0.00 H new ATOM 0 HG13 VAL B 29 4.314 -5.692 7.541 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.514 -6.735 10.238 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.195 -6.492 9.707 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.629 -5.766 11.231 1.00 0.00 H new ATOM 1318 N PHE B 30 3.847 -1.694 8.792 1.00 0.00 N ATOM 1319 CA PHE B 30 3.451 -0.578 7.924 1.00 0.00 C ATOM 1320 C PHE B 30 4.602 0.388 7.586 1.00 0.00 C ATOM 1321 O PHE B 30 4.689 0.867 6.455 1.00 0.00 O ATOM 1322 CB PHE B 30 2.288 0.200 8.551 1.00 0.00 C ATOM 1323 CG PHE B 30 0.972 -0.556 8.676 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.478 -1.323 7.600 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.212 -0.456 9.859 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.753 -1.994 7.711 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -1.023 -1.120 9.966 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.508 -1.882 8.888 1.00 0.00 C ATOM 0 H PHE B 30 3.371 -1.708 9.694 1.00 0.00 H new ATOM 0 HA PHE B 30 3.139 -1.030 6.982 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.591 0.530 9.545 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.114 1.097 7.957 1.00 0.00 H new ATOM 0 HD1 PHE B 30 1.048 -1.395 6.686 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.580 0.133 10.686 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.117 -2.595 6.891 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.599 -1.045 10.876 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.462 -2.381 8.966 1.00 0.00 H new ATOM 1338 N LYS B 31 5.526 0.633 8.518 1.00 0.00 N ATOM 1339 CA LYS B 31 6.743 1.408 8.235 1.00 0.00 C ATOM 1340 C LYS B 31 7.722 0.646 7.320 1.00 0.00 C ATOM 1341 O LYS B 31 8.370 1.258 6.470 1.00 0.00 O ATOM 1342 CB LYS B 31 7.405 1.854 9.550 1.00 0.00 C ATOM 1343 CG LYS B 31 6.595 3.005 10.172 1.00 0.00 C ATOM 1344 CD LYS B 31 7.094 3.399 11.567 1.00 0.00 C ATOM 1345 CE LYS B 31 6.304 4.622 12.049 1.00 0.00 C ATOM 1346 NZ LYS B 31 6.677 5.019 13.420 1.00 0.00 N ATOM 0 H LYS B 31 5.456 0.305 9.481 1.00 0.00 H new ATOM 0 HA LYS B 31 6.453 2.301 7.681 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.457 1.016 10.245 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.429 2.177 9.362 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.644 3.874 9.515 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.547 2.712 10.236 1.00 0.00 H new ATOM 0 HD2 LYS B 31 6.965 2.569 12.262 1.00 0.00 H new ATOM 0 HD3 LYS B 31 8.160 3.627 11.536 1.00 0.00 H new ATOM 0 HE2 LYS B 31 6.479 5.457 11.370 1.00 0.00 H new ATOM 0 HE3 LYS B 31 5.237 4.401 12.014 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 6.249 5.940 13.643 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 6.333 4.305 14.094 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 7.712 5.091 13.491 1.00 0.00 H new ATOM 1360 N GLN B 32 7.784 -0.685 7.399 1.00 0.00 N ATOM 1361 CA GLN B 32 8.563 -1.502 6.448 1.00 0.00 C ATOM 1362 C GLN B 32 8.079 -1.343 4.991 1.00 0.00 C ATOM 1363 O GLN B 32 8.895 -1.342 4.067 1.00 0.00 O ATOM 1364 CB GLN B 32 8.565 -2.981 6.887 1.00 0.00 C ATOM 1365 CG GLN B 32 9.953 -3.499 7.291 1.00 0.00 C ATOM 1366 CD GLN B 32 10.680 -2.649 8.318 1.00 0.00 C ATOM 1367 OE1 GLN B 32 11.844 -2.306 8.143 1.00 0.00 O ATOM 1368 NE2 GLN B 32 10.050 -2.286 9.415 1.00 0.00 N ATOM 0 H GLN B 32 7.303 -1.229 8.115 1.00 0.00 H new ATOM 0 HA GLN B 32 9.589 -1.133 6.466 1.00 0.00 H new ATOM 0 HB2 GLN B 32 7.882 -3.103 7.727 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.180 -3.594 6.072 1.00 0.00 H new ATOM 0 HG2 GLN B 32 9.846 -4.509 7.687 1.00 0.00 H new ATOM 0 HG3 GLN B 32 10.572 -3.571 6.397 1.00 0.00 H new ATOM 0 HE21 GLN B 32 9.082 -2.569 9.564 1.00 0.00 H new ATOM 0 HE22 GLN B 32 10.530 -1.721 10.116 1.00 0.00 H new ATOM 1377 N TYR B 33 6.773 -1.149 4.783 1.00 0.00 N ATOM 1378 CA TYR B 33 6.175 -0.886 3.463 1.00 0.00 C ATOM 1379 C TYR B 33 6.122 0.607 3.042 1.00 0.00 C ATOM 1380 O TYR B 33 6.187 0.875 1.844 1.00 0.00 O ATOM 1381 CB TYR B 33 4.751 -1.472 3.430 1.00 0.00 C ATOM 1382 CG TYR B 33 4.663 -2.969 3.158 1.00 0.00 C ATOM 1383 CD1 TYR B 33 5.062 -3.907 4.131 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.138 -3.430 1.932 1.00 0.00 C ATOM 1385 CE1 TYR B 33 4.923 -5.286 3.887 1.00 0.00 C ATOM 1386 CE2 TYR B 33 4.001 -4.809 1.689 1.00 0.00 C ATOM 1387 CZ TYR B 33 4.381 -5.736 2.673 1.00 0.00 C ATOM 1388 OH TYR B 33 4.209 -7.069 2.463 1.00 0.00 O ATOM 0 H TYR B 33 6.087 -1.170 5.538 1.00 0.00 H new ATOM 0 HA TYR B 33 6.835 -1.367 2.742 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.270 -1.265 4.386 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.179 -0.947 2.665 1.00 0.00 H new ATOM 0 HD1 TYR B 33 5.476 -3.566 5.068 1.00 0.00 H new ATOM 0 HD2 TYR B 33 3.839 -2.720 1.175 1.00 0.00 H new ATOM 0 HE1 TYR B 33 5.234 -6.000 4.636 1.00 0.00 H new ATOM 0 HE2 TYR B 33 3.604 -5.154 0.746 1.00 0.00 H new ATOM 0 HH TYR B 33 3.822 -7.213 1.574 1.00 0.00 H new ATOM 1398 N PHE B 34 6.027 1.544 3.999 1.00 0.00 N ATOM 1399 CA PHE B 34 5.743 2.975 3.714 1.00 0.00 C ATOM 1400 C PHE B 34 6.592 4.090 4.390 1.00 0.00 C ATOM 1401 O PHE B 34 6.240 5.265 4.250 1.00 0.00 O ATOM 1402 CB PHE B 34 4.246 3.233 3.987 1.00 0.00 C ATOM 1403 CG PHE B 34 3.273 2.386 3.186 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.109 2.624 1.808 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.508 1.386 3.818 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.190 1.862 1.064 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.594 0.620 3.072 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.435 0.860 1.695 1.00 0.00 C ATOM 0 H PHE B 34 6.143 1.340 4.992 1.00 0.00 H new ATOM 0 HA PHE B 34 6.046 3.077 2.672 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.055 3.067 5.047 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.035 4.283 3.786 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.690 3.393 1.321 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.623 1.207 4.877 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.065 2.048 0.007 1.00 0.00 H new ATOM 0 HE2 PHE B 34 1.015 -0.152 3.556 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.732 0.273 1.123 1.00 0.00 H new ATOM 1418 N ASN B 35 7.688 3.818 5.113 1.00 0.00 N ATOM 1419 CA ASN B 35 8.374 4.883 5.884 1.00 0.00 C ATOM 1420 C ASN B 35 9.093 5.989 5.057 1.00 0.00 C ATOM 1421 O ASN B 35 9.213 7.118 5.542 1.00 0.00 O ATOM 1422 CB ASN B 35 9.318 4.296 6.951 1.00 0.00 C ATOM 1423 CG ASN B 35 10.671 3.842 6.419 1.00 0.00 C ATOM 1424 OD1 ASN B 35 11.655 4.567 6.480 1.00 0.00 O ATOM 1425 ND2 ASN B 35 10.769 2.639 5.898 1.00 0.00 N ATOM 0 H ASN B 35 8.116 2.895 5.185 1.00 0.00 H new ATOM 0 HA ASN B 35 7.549 5.407 6.367 1.00 0.00 H new ATOM 0 HB2 ASN B 35 9.480 5.045 7.726 1.00 0.00 H new ATOM 0 HB3 ASN B 35 8.826 3.447 7.426 1.00 0.00 H new ATOM 0 HD21 ASN B 35 11.666 2.308 5.544 1.00 0.00 H new ATOM 0 HD22 ASN B 35 9.948 2.036 5.848 1.00 0.00 H new ATOM 1432 N ASP B 36 9.578 5.689 3.840 1.00 0.00 N ATOM 1433 CA ASP B 36 10.464 6.581 3.042 1.00 0.00 C ATOM 1434 C ASP B 36 10.437 6.307 1.525 1.00 0.00 C ATOM 1435 O ASP B 36 11.415 6.523 0.808 1.00 0.00 O ATOM 1436 CB ASP B 36 11.900 6.448 3.583 1.00 0.00 C ATOM 1437 CG ASP B 36 12.907 7.513 3.085 1.00 0.00 C ATOM 1438 OD1 ASP B 36 12.579 8.725 3.105 1.00 0.00 O ATOM 1439 OD2 ASP B 36 14.051 7.140 2.725 1.00 0.00 O ATOM 0 H ASP B 36 9.368 4.809 3.368 1.00 0.00 H new ATOM 0 HA ASP B 36 10.087 7.597 3.156 1.00 0.00 H new ATOM 0 HB2 ASP B 36 11.864 6.490 4.672 1.00 0.00 H new ATOM 0 HB3 ASP B 36 12.280 5.462 3.315 1.00 0.00 H new ATOM 1444 N ASN B 37 9.313 5.795 1.029 1.00 0.00 N ATOM 1445 CA ASN B 37 9.122 5.490 -0.400 1.00 0.00 C ATOM 1446 C ASN B 37 9.260 6.774 -1.264 1.00 0.00 C ATOM 1447 O ASN B 37 9.805 6.767 -2.370 1.00 0.00 O ATOM 1448 CB ASN B 37 7.743 4.825 -0.578 1.00 0.00 C ATOM 1449 CG ASN B 37 7.582 3.491 0.147 1.00 0.00 C ATOM 1450 OD1 ASN B 37 8.283 3.150 1.094 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.618 2.703 -0.264 1.00 0.00 N ATOM 0 H ASN B 37 8.500 5.576 1.605 1.00 0.00 H new ATOM 0 HA ASN B 37 9.895 4.802 -0.741 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.975 5.512 -0.223 1.00 0.00 H new ATOM 0 HB3 ASN B 37 7.564 4.669 -1.642 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.454 1.811 0.203 1.00 0.00 H new ATOM 0 HD22 ASN B 37 6.032 2.982 -1.051 1.00 0.00 H new ATOM 1458 N GLY B 38 8.769 7.877 -0.689 1.00 0.00 N ATOM 1459 CA GLY B 38 8.859 9.236 -1.252 1.00 0.00 C ATOM 1460 C GLY B 38 7.983 10.317 -0.618 1.00 0.00 C ATOM 1461 O GLY B 38 8.286 11.504 -0.749 1.00 0.00 O ATOM 0 H GLY B 38 8.283 7.852 0.207 1.00 0.00 H new ATOM 0 HA2 GLY B 38 9.897 9.561 -1.185 1.00 0.00 H new ATOM 0 HA3 GLY B 38 8.611 9.179 -2.312 1.00 0.00 H new ATOM 1465 N VAL B 39 6.905 9.929 0.069 1.00 0.00 N ATOM 1466 CA VAL B 39 5.985 10.873 0.734 1.00 0.00 C ATOM 1467 C VAL B 39 6.588 11.578 1.960 1.00 0.00 C ATOM 1468 O VAL B 39 6.257 12.737 2.213 1.00 0.00 O ATOM 1469 CB VAL B 39 4.662 10.190 1.148 1.00 0.00 C ATOM 1470 CG1 VAL B 39 3.829 9.843 -0.088 1.00 0.00 C ATOM 1471 CG2 VAL B 39 4.835 8.905 1.974 1.00 0.00 C ATOM 0 H VAL B 39 6.640 8.951 0.183 1.00 0.00 H new ATOM 0 HA VAL B 39 5.790 11.636 -0.019 1.00 0.00 H new ATOM 0 HB VAL B 39 4.162 10.922 1.783 1.00 0.00 H new ATOM 0 HG11 VAL B 39 2.901 9.363 0.222 1.00 0.00 H new ATOM 0 HG12 VAL B 39 3.599 10.755 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL B 39 4.393 9.164 -0.728 1.00 0.00 H new ATOM 0 HG21 VAL B 39 3.855 8.495 2.219 1.00 0.00 H new ATOM 0 HG22 VAL B 39 5.400 8.174 1.395 1.00 0.00 H new ATOM 0 HG23 VAL B 39 5.373 9.134 2.894 1.00 0.00 H new ATOM 1481 N ASP B 40 7.453 10.885 2.723 1.00 0.00 N ATOM 1482 CA ASP B 40 7.991 11.279 4.050 1.00 0.00 C ATOM 1483 C ASP B 40 6.979 12.021 4.959 1.00 0.00 C ATOM 1484 O ASP B 40 7.314 12.958 5.685 1.00 0.00 O ATOM 1485 CB ASP B 40 9.369 11.971 3.906 1.00 0.00 C ATOM 1486 CG ASP B 40 9.385 13.345 3.191 1.00 0.00 C ATOM 1487 OD1 ASP B 40 9.544 13.380 1.947 1.00 0.00 O ATOM 1488 OD2 ASP B 40 9.339 14.396 3.875 1.00 0.00 O ATOM 0 H ASP B 40 7.820 9.983 2.418 1.00 0.00 H new ATOM 0 HA ASP B 40 8.166 10.359 4.607 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.791 12.101 4.903 1.00 0.00 H new ATOM 0 HB3 ASP B 40 10.033 11.298 3.364 1.00 0.00 H new ATOM 1493 N GLY B 41 5.716 11.588 4.896 1.00 0.00 N ATOM 1494 CA GLY B 41 4.558 12.261 5.497 1.00 0.00 C ATOM 1495 C GLY B 41 4.418 12.142 7.020 1.00 0.00 C ATOM 1496 O GLY B 41 5.162 11.425 7.694 1.00 0.00 O ATOM 0 H GLY B 41 5.462 10.729 4.408 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.605 13.319 5.239 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.654 11.861 5.038 1.00 0.00 H new ATOM 1500 N GLU B 42 3.419 12.848 7.557 1.00 0.00 N ATOM 1501 CA GLU B 42 2.968 12.773 8.962 1.00 0.00 C ATOM 1502 C GLU B 42 2.253 11.450 9.246 1.00 0.00 C ATOM 1503 O GLU B 42 1.395 11.039 8.467 1.00 0.00 O ATOM 1504 CB GLU B 42 2.012 13.944 9.247 1.00 0.00 C ATOM 1505 CG GLU B 42 1.558 14.014 10.704 1.00 0.00 C ATOM 1506 CD GLU B 42 0.752 15.285 10.932 1.00 0.00 C ATOM 1507 OE1 GLU B 42 -0.452 15.299 10.593 1.00 0.00 O ATOM 1508 OE2 GLU B 42 1.326 16.266 11.457 1.00 0.00 O ATOM 0 H GLU B 42 2.877 13.516 7.009 1.00 0.00 H new ATOM 0 HA GLU B 42 3.843 12.832 9.610 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.505 14.879 8.982 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.136 13.853 8.605 1.00 0.00 H new ATOM 0 HG2 GLU B 42 0.954 13.140 10.949 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.424 13.998 11.366 1.00 0.00 H new ATOM 1515 N TRP B 43 2.572 10.822 10.377 1.00 0.00 N ATOM 1516 CA TRP B 43 1.902 9.617 10.894 1.00 0.00 C ATOM 1517 C TRP B 43 0.957 9.955 12.068 1.00 0.00 C ATOM 1518 O TRP B 43 1.276 10.788 12.921 1.00 0.00 O ATOM 1519 CB TRP B 43 2.953 8.572 11.308 1.00 0.00 C ATOM 1520 CG TRP B 43 3.690 7.905 10.180 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.587 8.502 9.363 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.599 6.519 9.713 1.00 0.00 C ATOM 1523 NE1 TRP B 43 5.033 7.605 8.414 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.448 6.369 8.573 1.00 0.00 C ATOM 1525 CE3 TRP B 43 2.871 5.379 10.121 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.551 5.164 7.863 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 2.973 4.161 9.420 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.801 4.056 8.288 1.00 0.00 C ATOM 0 H TRP B 43 3.327 11.144 10.982 1.00 0.00 H new ATOM 0 HA TRP B 43 1.285 9.197 10.099 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.682 9.055 11.958 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.459 7.802 11.900 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.907 9.530 9.442 1.00 0.00 H new ATOM 0 HE1 TRP B 43 5.711 7.830 7.686 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.226 5.442 10.985 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 5.198 5.089 7.002 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.411 3.301 9.755 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.860 3.124 7.746 1.00 0.00 H new ATOM 1539 N THR B 44 -0.212 9.313 12.112 1.00 0.00 N ATOM 1540 CA THR B 44 -1.261 9.446 13.148 1.00 0.00 C ATOM 1541 C THR B 44 -1.840 8.057 13.483 1.00 0.00 C ATOM 1542 O THR B 44 -1.771 7.154 12.642 1.00 0.00 O ATOM 1543 CB THR B 44 -2.400 10.364 12.642 1.00 0.00 C ATOM 1544 OG1 THR B 44 -1.898 11.569 12.103 1.00 0.00 O ATOM 1545 CG2 THR B 44 -3.417 10.759 13.715 1.00 0.00 C ATOM 0 H THR B 44 -0.476 8.645 11.387 1.00 0.00 H new ATOM 0 HA THR B 44 -0.817 9.885 14.041 1.00 0.00 H new ATOM 0 HB THR B 44 -2.899 9.758 11.886 1.00 0.00 H new ATOM 0 HG1 THR B 44 -2.644 12.124 11.792 1.00 0.00 H new ATOM 0 HG21 THR B 44 -4.179 11.402 13.275 1.00 0.00 H new ATOM 0 HG22 THR B 44 -3.887 9.862 14.118 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.910 11.295 14.517 1.00 0.00 H new ATOM 1553 N TYR B 45 -2.443 7.860 14.662 1.00 0.00 N ATOM 1554 CA TYR B 45 -3.095 6.601 15.075 1.00 0.00 C ATOM 1555 C TYR B 45 -4.363 6.844 15.920 1.00 0.00 C ATOM 1556 O TYR B 45 -4.372 7.697 16.814 1.00 0.00 O ATOM 1557 CB TYR B 45 -2.083 5.760 15.870 1.00 0.00 C ATOM 1558 CG TYR B 45 -2.616 4.454 16.443 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -3.020 3.412 15.586 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -2.686 4.267 17.837 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -3.491 2.196 16.115 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -3.155 3.049 18.366 1.00 0.00 C ATOM 1563 CZ TYR B 45 -3.562 2.016 17.506 1.00 0.00 C ATOM 1564 OH TYR B 45 -4.036 0.846 18.018 1.00 0.00 O ATOM 0 H TYR B 45 -2.495 8.587 15.376 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.413 6.071 14.177 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -1.238 5.532 15.220 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.700 6.366 16.691 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -2.968 3.547 14.516 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.379 5.060 18.503 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.798 1.401 15.451 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -3.202 2.909 19.436 1.00 0.00 H new ATOM 0 HH TYR B 45 -4.443 1.013 18.894 1.00 0.00 H new ATOM 1574 N ASP B 46 -5.421 6.073 15.648 1.00 0.00 N ATOM 1575 CA ASP B 46 -6.681 5.993 16.406 1.00 0.00 C ATOM 1576 C ASP B 46 -6.875 4.576 16.957 1.00 0.00 C ATOM 1577 O ASP B 46 -7.125 3.633 16.195 1.00 0.00 O ATOM 1578 CB ASP B 46 -7.866 6.403 15.511 1.00 0.00 C ATOM 1579 CG ASP B 46 -7.857 7.894 15.119 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -8.306 8.735 15.938 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -7.431 8.227 13.986 1.00 0.00 O ATOM 0 H ASP B 46 -5.424 5.447 14.842 1.00 0.00 H new ATOM 0 HA ASP B 46 -6.635 6.684 17.248 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -7.852 5.798 14.605 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -8.798 6.178 16.030 1.00 0.00 H new ATOM 1586 N ASP B 47 -6.745 4.400 18.277 1.00 0.00 N ATOM 1587 CA ASP B 47 -6.762 3.078 18.929 1.00 0.00 C ATOM 1588 C ASP B 47 -8.150 2.427 18.948 1.00 0.00 C ATOM 1589 O ASP B 47 -8.274 1.231 18.711 1.00 0.00 O ATOM 1590 CB ASP B 47 -6.199 3.218 20.355 1.00 0.00 C ATOM 1591 CG ASP B 47 -5.919 1.858 21.026 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -5.007 1.135 20.557 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -6.601 1.530 22.027 1.00 0.00 O ATOM 0 H ASP B 47 -6.624 5.174 18.930 1.00 0.00 H new ATOM 0 HA ASP B 47 -6.135 2.409 18.339 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -5.276 3.797 20.321 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -6.906 3.780 20.966 1.00 0.00 H new ATOM 1598 N ALA B 48 -9.209 3.225 19.102 1.00 0.00 N ATOM 1599 CA ALA B 48 -10.628 2.804 19.103 1.00 0.00 C ATOM 1600 C ALA B 48 -11.129 2.156 17.784 1.00 0.00 C ATOM 1601 O ALA B 48 -12.226 1.599 17.713 1.00 0.00 O ATOM 1602 CB ALA B 48 -11.472 4.045 19.423 1.00 0.00 C ATOM 0 H ALA B 48 -9.105 4.231 19.236 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.728 2.017 19.850 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -12.528 3.774 19.433 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -11.188 4.436 20.400 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.300 4.808 18.663 1.00 0.00 H new ATOM 1608 N THR B 49 -10.303 2.272 16.747 1.00 0.00 N ATOM 1609 CA THR B 49 -10.467 1.616 15.439 1.00 0.00 C ATOM 1610 C THR B 49 -9.221 0.853 14.934 1.00 0.00 C ATOM 1611 O THR B 49 -9.149 0.469 13.766 1.00 0.00 O ATOM 1612 CB THR B 49 -11.095 2.617 14.446 1.00 0.00 C ATOM 1613 OG1 THR B 49 -11.539 2.018 13.249 1.00 0.00 O ATOM 1614 CG2 THR B 49 -10.190 3.802 14.124 1.00 0.00 C ATOM 0 H THR B 49 -9.463 2.849 16.791 1.00 0.00 H new ATOM 0 HA THR B 49 -11.169 0.790 15.551 1.00 0.00 H new ATOM 0 HB THR B 49 -11.969 2.995 14.977 1.00 0.00 H new ATOM 0 HG1 THR B 49 -10.928 1.293 13.000 1.00 0.00 H new ATOM 0 HG21 THR B 49 -10.694 4.465 13.421 1.00 0.00 H new ATOM 0 HG22 THR B 49 -9.966 4.348 15.040 1.00 0.00 H new ATOM 0 HG23 THR B 49 -9.262 3.441 13.681 1.00 0.00 H new ATOM 1622 N LYS B 50 -8.206 0.630 15.788 1.00 0.00 N ATOM 1623 CA LYS B 50 -6.927 -0.039 15.460 1.00 0.00 C ATOM 1624 C LYS B 50 -6.282 0.460 14.139 1.00 0.00 C ATOM 1625 O LYS B 50 -5.631 -0.298 13.413 1.00 0.00 O ATOM 1626 CB LYS B 50 -7.106 -1.578 15.485 1.00 0.00 C ATOM 1627 CG LYS B 50 -7.331 -2.221 16.865 1.00 0.00 C ATOM 1628 CD LYS B 50 -8.720 -1.960 17.463 1.00 0.00 C ATOM 1629 CE LYS B 50 -8.954 -2.840 18.697 1.00 0.00 C ATOM 1630 NZ LYS B 50 -10.215 -2.495 19.386 1.00 0.00 N ATOM 0 H LYS B 50 -8.253 0.921 16.765 1.00 0.00 H new ATOM 0 HA LYS B 50 -6.213 0.239 16.236 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.953 -1.833 14.848 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -6.222 -2.032 15.037 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -7.181 -3.297 16.780 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -6.575 -1.847 17.555 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -8.812 -0.909 17.737 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -9.487 -2.162 16.715 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -8.979 -3.888 18.397 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -8.119 -2.726 19.388 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -10.338 -3.111 20.215 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -10.182 -1.502 19.695 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -11.014 -2.628 18.734 1.00 0.00 H new ATOM 1644 N THR B 51 -6.476 1.740 13.806 1.00 0.00 N ATOM 1645 CA THR B 51 -6.107 2.287 12.478 1.00 0.00 C ATOM 1646 C THR B 51 -5.067 3.406 12.557 1.00 0.00 C ATOM 1647 O THR B 51 -5.183 4.340 13.352 1.00 0.00 O ATOM 1648 CB THR B 51 -7.343 2.776 11.693 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.290 1.743 11.507 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.019 3.287 10.286 1.00 0.00 C ATOM 0 H THR B 51 -6.889 2.428 14.436 1.00 0.00 H new ATOM 0 HA THR B 51 -5.654 1.454 11.940 1.00 0.00 H new ATOM 0 HB THR B 51 -7.732 3.587 12.309 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.443 1.282 12.358 1.00 0.00 H new ATOM 0 HG21 THR B 51 -7.937 3.613 9.797 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.327 4.126 10.354 1.00 0.00 H new ATOM 0 HG23 THR B 51 -6.563 2.486 9.704 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.062 3.332 11.685 1.00 0.00 N ATOM 1659 CA PHE B 52 -3.014 4.316 11.435 1.00 0.00 C ATOM 1660 C PHE B 52 -3.341 5.124 10.165 1.00 0.00 C ATOM 1661 O PHE B 52 -3.920 4.593 9.216 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.673 3.593 11.233 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.114 2.933 12.477 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -0.275 3.666 13.337 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -1.434 1.595 12.781 1.00 0.00 C ATOM 1666 CE1 PHE B 52 0.227 3.069 14.506 1.00 0.00 C ATOM 1667 CE2 PHE B 52 -0.925 0.996 13.948 1.00 0.00 C ATOM 1668 CZ PHE B 52 -0.102 1.737 14.813 1.00 0.00 C ATOM 0 H PHE B 52 -3.953 2.513 11.087 1.00 0.00 H new ATOM 0 HA PHE B 52 -2.951 4.991 12.289 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -1.798 2.834 10.461 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -0.942 4.310 10.859 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -0.017 4.687 13.099 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -2.071 1.029 12.118 1.00 0.00 H new ATOM 0 HE1 PHE B 52 0.866 3.634 15.169 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -1.166 -0.031 14.178 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.279 1.282 15.716 1.00 0.00 H new ATOM 1678 N THR B 53 -2.985 6.404 10.132 1.00 0.00 N ATOM 1679 CA THR B 53 -3.128 7.265 8.944 1.00 0.00 C ATOM 1680 C THR B 53 -1.796 7.945 8.599 1.00 0.00 C ATOM 1681 O THR B 53 -1.090 8.420 9.491 1.00 0.00 O ATOM 1682 CB THR B 53 -4.220 8.330 9.167 1.00 0.00 C ATOM 1683 OG1 THR B 53 -5.447 7.726 9.525 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.498 9.190 7.933 1.00 0.00 C ATOM 0 H THR B 53 -2.583 6.887 10.936 1.00 0.00 H new ATOM 0 HA THR B 53 -3.424 6.631 8.108 1.00 0.00 H new ATOM 0 HB THR B 53 -3.831 8.964 9.963 1.00 0.00 H new ATOM 0 HG1 THR B 53 -6.125 8.420 9.663 1.00 0.00 H new ATOM 0 HG21 THR B 53 -5.277 9.917 8.164 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.588 9.714 7.642 1.00 0.00 H new ATOM 0 HG23 THR B 53 -4.828 8.553 7.112 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.466 8.009 7.307 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.282 8.684 6.734 1.00 0.00 C ATOM 1694 C VAL B 54 -0.739 9.771 5.761 1.00 0.00 C ATOM 1695 O VAL B 54 -1.565 9.504 4.885 1.00 0.00 O ATOM 1696 CB VAL B 54 0.651 7.695 6.004 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.859 8.395 5.358 1.00 0.00 C ATOM 1698 CG2 VAL B 54 1.197 6.654 6.985 1.00 0.00 C ATOM 0 H VAL B 54 -2.043 7.571 6.589 1.00 0.00 H new ATOM 0 HA VAL B 54 0.282 9.124 7.556 1.00 0.00 H new ATOM 0 HB VAL B 54 0.048 7.228 5.225 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.484 7.655 4.858 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.509 9.127 4.630 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.442 8.900 6.128 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.853 5.964 6.455 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.759 7.156 7.773 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.368 6.100 7.426 1.00 0.00 H new ATOM 1708 N THR B 55 -0.212 10.986 5.903 1.00 0.00 N ATOM 1709 CA THR B 55 -0.561 12.134 5.046 1.00 0.00 C ATOM 1710 C THR B 55 0.695 12.902 4.597 1.00 0.00 C ATOM 1711 O THR B 55 1.477 13.366 5.434 1.00 0.00 O ATOM 1712 CB THR B 55 -1.585 13.055 5.739 1.00 0.00 C ATOM 1713 OG1 THR B 55 -2.774 12.348 6.028 1.00 0.00 O ATOM 1714 CG2 THR B 55 -1.995 14.254 4.881 1.00 0.00 C ATOM 0 H THR B 55 0.477 11.211 6.621 1.00 0.00 H new ATOM 0 HA THR B 55 -1.035 11.746 4.144 1.00 0.00 H new ATOM 0 HB THR B 55 -1.086 13.407 6.642 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.412 12.947 6.469 1.00 0.00 H new ATOM 0 HG21 THR B 55 -2.717 14.862 5.426 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.115 14.855 4.651 1.00 0.00 H new ATOM 0 HG23 THR B 55 -2.445 13.901 3.953 1.00 0.00 H new ATOM 1722 N GLU B 56 0.891 13.000 3.274 1.00 0.00 N ATOM 1723 CA GLU B 56 1.989 13.729 2.608 1.00 0.00 C ATOM 1724 C GLU B 56 2.026 15.216 2.994 1.00 0.00 C ATOM 1725 O GLU B 56 0.994 15.905 2.837 1.00 0.00 O ATOM 1726 CB GLU B 56 1.895 13.556 1.088 1.00 0.00 C ATOM 1727 CG GLU B 56 3.229 13.877 0.424 1.00 0.00 C ATOM 1728 CD GLU B 56 3.103 13.933 -1.090 1.00 0.00 C ATOM 1729 OE1 GLU B 56 2.612 12.949 -1.687 1.00 0.00 O ATOM 1730 OE2 GLU B 56 3.506 14.963 -1.675 1.00 0.00 O ATOM 1731 OXT GLU B 56 3.092 15.678 3.454 1.00 0.00 O ATOM 0 H GLU B 56 0.262 12.554 2.606 1.00 0.00 H new ATOM 0 HA GLU B 56 2.927 13.295 2.956 1.00 0.00 H new ATOM 0 HB2 GLU B 56 1.602 12.533 0.851 1.00 0.00 H new ATOM 0 HB3 GLU B 56 1.119 14.210 0.690 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.599 14.833 0.794 1.00 0.00 H new ATOM 0 HG3 GLU B 56 3.965 13.122 0.701 1.00 0.00 H new