USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 822 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 50 ZNZN :(H bumps) USER MOD NoAdj-H: B 40 HIS HD1 : B 40 HIS ND1 : B 150 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.136 (180deg=0.0439) USER MOD Single : A 3 TYR OH : rot 15:sc= -2.49! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 15 MET CE :methyl 138:sc= -1.23 (180deg=-1.69) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -84:sc= -2.01! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 84:sc= 0.448 USER MOD Single : A 48 ASN : amide:sc= -0.883 X(o=-0.88,f=-0.92) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 176:sc=-0.00462 (180deg=-0.019) USER MOD Single : B 3 TYR OH : rot 40:sc= 0.0885 USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : B 15 MET CE :methyl 179:sc= -0.417 (180deg=-0.419) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot -129:sc= 1.13 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 THR OG1 : rot 94:sc= 0.00144 USER MOD Single : B 48 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.502 -18.839 -4.669 1.00 0.00 N ATOM 2 CA MET A 1 -6.467 -18.645 -3.615 1.00 0.00 C ATOM 3 C MET A 1 -5.095 -18.329 -4.233 1.00 0.00 C ATOM 4 O MET A 1 -4.951 -18.302 -5.454 1.00 0.00 O ATOM 5 CB MET A 1 -6.385 -19.862 -2.659 1.00 0.00 C ATOM 6 CG MET A 1 -7.463 -19.864 -1.570 1.00 0.00 C ATOM 7 SD MET A 1 -9.097 -20.492 -2.052 1.00 0.00 S ATOM 8 CE MET A 1 -9.228 -21.883 -0.890 1.00 0.00 C ATOM 0 H1 MET A 1 -8.232 -19.494 -4.323 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.939 -17.924 -4.899 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.058 -19.235 -5.522 1.00 0.00 H new ATOM 0 HA MET A 1 -6.771 -17.785 -3.018 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.470 -20.778 -3.243 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.403 -19.876 -2.186 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.101 -20.460 -0.732 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.583 -18.844 -1.206 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.179 -22.394 -1.040 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.409 -22.581 -1.064 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.174 -21.509 0.133 1.00 0.00 H new ATOM 20 N ASP A 2 -4.084 -18.089 -3.385 1.00 0.00 N ATOM 21 CA ASP A 2 -2.664 -17.891 -3.739 1.00 0.00 C ATOM 22 C ASP A 2 -2.414 -16.802 -4.806 1.00 0.00 C ATOM 23 O ASP A 2 -1.759 -17.020 -5.830 1.00 0.00 O ATOM 24 CB ASP A 2 -2.011 -19.252 -4.045 1.00 0.00 C ATOM 25 CG ASP A 2 -0.470 -19.217 -4.006 1.00 0.00 C ATOM 26 OD1 ASP A 2 0.121 -18.329 -3.344 1.00 0.00 O ATOM 27 OD2 ASP A 2 0.162 -20.126 -4.598 1.00 0.00 O ATOM 0 H ASP A 2 -4.240 -18.024 -2.379 1.00 0.00 H new ATOM 0 HA ASP A 2 -2.160 -17.472 -2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.368 -19.988 -3.324 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.334 -19.588 -5.030 1.00 0.00 H new ATOM 32 N TYR A 3 -2.984 -15.619 -4.558 1.00 0.00 N ATOM 33 CA TYR A 3 -2.918 -14.443 -5.436 1.00 0.00 C ATOM 34 C TYR A 3 -2.878 -13.151 -4.614 1.00 0.00 C ATOM 35 O TYR A 3 -1.868 -12.446 -4.618 1.00 0.00 O ATOM 36 CB TYR A 3 -4.129 -14.464 -6.390 1.00 0.00 C ATOM 37 CG TYR A 3 -4.557 -13.101 -6.910 1.00 0.00 C ATOM 38 CD1 TYR A 3 -3.637 -12.278 -7.589 1.00 0.00 C ATOM 39 CD2 TYR A 3 -5.857 -12.625 -6.639 1.00 0.00 C ATOM 40 CE1 TYR A 3 -4.018 -10.989 -8.007 1.00 0.00 C ATOM 41 CE2 TYR A 3 -6.238 -11.335 -7.052 1.00 0.00 C ATOM 42 CZ TYR A 3 -5.325 -10.518 -7.749 1.00 0.00 C ATOM 43 OH TYR A 3 -5.706 -9.277 -8.152 1.00 0.00 O ATOM 0 H TYR A 3 -3.524 -15.446 -3.710 1.00 0.00 H new ATOM 0 HA TYR A 3 -2.001 -14.476 -6.024 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.892 -15.103 -7.240 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.973 -14.921 -5.873 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.638 -12.637 -7.789 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.562 -13.252 -6.113 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.310 -10.359 -8.526 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.231 -10.970 -6.835 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.060 -8.932 -8.803 1.00 0.00 H new ATOM 53 N LEU A 4 -3.941 -12.866 -3.851 1.00 0.00 N ATOM 54 CA LEU A 4 -4.055 -11.654 -3.051 1.00 0.00 C ATOM 55 C LEU A 4 -2.951 -11.532 -2.000 1.00 0.00 C ATOM 56 O LEU A 4 -2.583 -10.422 -1.652 1.00 0.00 O ATOM 57 CB LEU A 4 -5.468 -11.587 -2.460 1.00 0.00 C ATOM 58 CG LEU A 4 -5.624 -12.307 -1.113 1.00 0.00 C ATOM 59 CD1 LEU A 4 -5.700 -11.337 0.068 1.00 0.00 C ATOM 60 CD2 LEU A 4 -6.855 -13.184 -1.133 1.00 0.00 C ATOM 0 H LEU A 4 -4.751 -13.481 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.906 -10.786 -3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.747 -10.541 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.169 -12.020 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.732 -12.918 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.810 -11.900 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.787 -10.743 0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.557 -10.676 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.957 -13.690 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.737 -12.569 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.760 -13.926 -1.926 1.00 0.00 H new ATOM 72 N ARG A 5 -2.383 -12.645 -1.520 1.00 0.00 N ATOM 73 CA ARG A 5 -1.258 -12.640 -0.579 1.00 0.00 C ATOM 74 C ARG A 5 -0.066 -11.907 -1.161 1.00 0.00 C ATOM 75 O ARG A 5 0.454 -11.017 -0.500 1.00 0.00 O ATOM 76 CB ARG A 5 -0.871 -14.075 -0.189 1.00 0.00 C ATOM 77 CG ARG A 5 -1.300 -14.361 1.249 1.00 0.00 C ATOM 78 CD ARG A 5 -0.830 -15.753 1.691 1.00 0.00 C ATOM 79 NE ARG A 5 -0.518 -15.781 3.134 1.00 0.00 N ATOM 80 CZ ARG A 5 -1.362 -15.691 4.146 1.00 0.00 C ATOM 81 NH1 ARG A 5 -2.653 -15.648 3.979 1.00 0.00 N ATOM 82 NH2 ARG A 5 -0.908 -15.631 5.365 1.00 0.00 N ATOM 0 H ARG A 5 -2.694 -13.582 -1.776 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.574 -12.111 0.320 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -1.345 -14.785 -0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.206 -14.210 -0.289 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.885 -13.604 1.914 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -2.385 -14.296 1.329 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.604 -16.488 1.470 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.053 -16.039 1.120 1.00 0.00 H new ATOM 0 HE ARG A 5 0.467 -15.882 3.379 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.047 -15.684 3.039 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.270 -15.578 4.788 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.097 -15.654 5.537 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.558 -15.561 6.148 1.00 0.00 H new ATOM 96 N GLU A 6 0.293 -12.222 -2.407 1.00 0.00 N ATOM 97 CA GLU A 6 1.322 -11.541 -3.186 1.00 0.00 C ATOM 98 C GLU A 6 1.031 -10.054 -3.414 1.00 0.00 C ATOM 99 O GLU A 6 1.963 -9.302 -3.695 1.00 0.00 O ATOM 100 CB GLU A 6 1.523 -12.261 -4.531 1.00 0.00 C ATOM 101 CG GLU A 6 2.926 -12.880 -4.639 1.00 0.00 C ATOM 102 CD GLU A 6 3.692 -12.407 -5.889 1.00 0.00 C ATOM 103 OE1 GLU A 6 4.396 -11.372 -5.805 1.00 0.00 O ATOM 104 OE2 GLU A 6 3.627 -13.089 -6.940 1.00 0.00 O ATOM 0 H GLU A 6 -0.144 -12.989 -2.919 1.00 0.00 H new ATOM 0 HA GLU A 6 2.239 -11.584 -2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.771 -13.042 -4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.372 -11.555 -5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.500 -12.625 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.838 -13.966 -4.662 1.00 0.00 H new ATOM 111 N LEU A 7 -0.226 -9.617 -3.262 1.00 0.00 N ATOM 112 CA LEU A 7 -0.602 -8.213 -3.304 1.00 0.00 C ATOM 113 C LEU A 7 -0.587 -7.565 -1.912 1.00 0.00 C ATOM 114 O LEU A 7 -0.038 -6.484 -1.746 1.00 0.00 O ATOM 115 CB LEU A 7 -1.967 -8.049 -3.974 1.00 0.00 C ATOM 116 CG LEU A 7 -2.142 -8.710 -5.348 1.00 0.00 C ATOM 117 CD1 LEU A 7 -3.456 -8.216 -5.938 1.00 0.00 C ATOM 118 CD2 LEU A 7 -1.019 -8.422 -6.340 1.00 0.00 C ATOM 0 H LEU A 7 -1.015 -10.244 -3.105 1.00 0.00 H new ATOM 0 HA LEU A 7 0.146 -7.690 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.726 -8.451 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.168 -6.983 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.127 -9.788 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.608 -8.670 -6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.278 -8.493 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.423 -7.131 -6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.227 -8.929 -7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.953 -7.348 -6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.074 -8.783 -5.934 1.00 0.00 H new ATOM 130 N TYR A 8 -1.132 -8.211 -0.882 1.00 0.00 N ATOM 131 CA TYR A 8 -1.067 -7.765 0.515 1.00 0.00 C ATOM 132 C TYR A 8 0.368 -7.502 0.976 1.00 0.00 C ATOM 133 O TYR A 8 0.698 -6.394 1.399 1.00 0.00 O ATOM 134 CB TYR A 8 -1.766 -8.823 1.382 1.00 0.00 C ATOM 135 CG TYR A 8 -2.588 -8.251 2.523 1.00 0.00 C ATOM 136 CD1 TYR A 8 -3.890 -7.786 2.267 1.00 0.00 C ATOM 137 CD2 TYR A 8 -2.064 -8.167 3.827 1.00 0.00 C ATOM 138 CE1 TYR A 8 -4.655 -7.192 3.284 1.00 0.00 C ATOM 139 CE2 TYR A 8 -2.840 -7.603 4.861 1.00 0.00 C ATOM 140 CZ TYR A 8 -4.134 -7.103 4.591 1.00 0.00 C ATOM 141 OH TYR A 8 -4.870 -6.538 5.586 1.00 0.00 O ATOM 0 H TYR A 8 -1.646 -9.084 -0.996 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.579 -6.808 0.615 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.416 -9.425 0.747 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.012 -9.495 1.793 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.307 -7.887 1.276 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.070 -8.534 4.035 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.639 -6.805 3.066 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.443 -7.553 5.864 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.360 -6.560 6.423 1.00 0.00 H new ATOM 151 N LYS A 9 1.253 -8.482 0.763 1.00 0.00 N ATOM 152 CA LYS A 9 2.715 -8.370 0.979 1.00 0.00 C ATOM 153 C LYS A 9 3.440 -7.387 0.050 1.00 0.00 C ATOM 154 O LYS A 9 4.651 -7.218 0.175 1.00 0.00 O ATOM 155 CB LYS A 9 3.369 -9.767 0.939 1.00 0.00 C ATOM 156 CG LYS A 9 3.360 -10.393 -0.468 1.00 0.00 C ATOM 157 CD LYS A 9 4.586 -10.176 -1.361 1.00 0.00 C ATOM 158 CE LYS A 9 5.562 -11.357 -1.312 1.00 0.00 C ATOM 159 NZ LYS A 9 6.591 -11.238 -2.379 1.00 0.00 N ATOM 0 H LYS A 9 0.973 -9.403 0.426 1.00 0.00 H new ATOM 0 HA LYS A 9 2.830 -7.935 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.398 -9.691 1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.844 -10.428 1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.216 -11.467 -0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.489 -10.009 -0.998 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.260 -10.020 -2.389 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.103 -9.268 -1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.046 -11.394 -0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.015 -12.292 -1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.241 -12.048 -2.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.127 -11.226 -3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.126 -10.356 -2.248 1.00 0.00 H new ATOM 173 N LEU A 10 2.720 -6.746 -0.864 1.00 0.00 N ATOM 174 CA LEU A 10 3.178 -5.711 -1.774 1.00 0.00 C ATOM 175 C LEU A 10 2.681 -4.355 -1.259 1.00 0.00 C ATOM 176 O LEU A 10 3.479 -3.442 -1.127 1.00 0.00 O ATOM 177 CB LEU A 10 2.695 -6.121 -3.195 1.00 0.00 C ATOM 178 CG LEU A 10 2.057 -5.008 -4.034 1.00 0.00 C ATOM 179 CD1 LEU A 10 3.153 -4.214 -4.701 1.00 0.00 C ATOM 180 CD2 LEU A 10 1.011 -5.450 -5.045 1.00 0.00 C ATOM 0 H LEU A 10 1.730 -6.954 -0.995 1.00 0.00 H new ATOM 0 HA LEU A 10 4.262 -5.606 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.547 -6.521 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.973 -6.931 -3.092 1.00 0.00 H new ATOM 0 HG LEU A 10 1.489 -4.395 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.712 -3.418 -5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.801 -3.778 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.739 -4.871 -5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.630 -4.579 -5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.462 -6.143 -5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.190 -5.945 -4.526 1.00 0.00 H new ATOM 192 N GLU A 11 1.393 -4.212 -0.944 1.00 0.00 N ATOM 193 CA GLU A 11 0.746 -2.914 -0.722 1.00 0.00 C ATOM 194 C GLU A 11 1.012 -2.408 0.706 1.00 0.00 C ATOM 195 O GLU A 11 1.274 -1.224 0.906 1.00 0.00 O ATOM 196 CB GLU A 11 -0.765 -3.057 -0.988 1.00 0.00 C ATOM 197 CG GLU A 11 -1.160 -3.461 -2.424 1.00 0.00 C ATOM 198 CD GLU A 11 -1.101 -2.332 -3.450 1.00 0.00 C ATOM 199 OE1 GLU A 11 -0.180 -1.514 -3.619 1.00 0.00 O ATOM 200 OE2 GLU A 11 -2.061 -1.940 -4.133 1.00 0.00 O ATOM 0 H GLU A 11 0.760 -5.004 -0.834 1.00 0.00 H new ATOM 0 HA GLU A 11 1.163 -2.177 -1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.167 -3.799 -0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.247 -2.108 -0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.503 -4.266 -2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.173 -3.864 -2.407 1.00 0.00 H new ATOM 207 N GLN A 12 1.029 -3.312 1.695 1.00 0.00 N ATOM 208 CA GLN A 12 1.485 -3.040 3.064 1.00 0.00 C ATOM 209 C GLN A 12 3.008 -2.825 3.155 1.00 0.00 C ATOM 210 O GLN A 12 3.485 -2.091 4.022 1.00 0.00 O ATOM 211 CB GLN A 12 1.044 -4.209 3.960 1.00 0.00 C ATOM 212 CG GLN A 12 0.064 -3.761 5.042 1.00 0.00 C ATOM 213 CD GLN A 12 0.726 -3.046 6.223 1.00 0.00 C ATOM 214 OE1 GLN A 12 1.765 -3.444 6.737 1.00 0.00 O ATOM 215 NE2 GLN A 12 0.150 -1.968 6.711 1.00 0.00 N ATOM 0 H GLN A 12 0.719 -4.275 1.562 1.00 0.00 H new ATOM 0 HA GLN A 12 1.032 -2.107 3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.579 -4.981 3.347 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.920 -4.658 4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.675 -3.096 4.596 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.475 -4.633 5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.715 -1.620 6.297 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.569 -1.480 7.503 1.00 0.00 H new ATOM 224 N GLN A 13 3.778 -3.439 2.249 1.00 0.00 N ATOM 225 CA GLN A 13 5.222 -3.214 2.104 1.00 0.00 C ATOM 226 C GLN A 13 5.498 -1.832 1.488 1.00 0.00 C ATOM 227 O GLN A 13 6.201 -1.013 2.081 1.00 0.00 O ATOM 228 CB GLN A 13 5.815 -4.365 1.286 1.00 0.00 C ATOM 229 CG GLN A 13 6.783 -5.263 2.083 1.00 0.00 C ATOM 230 CD GLN A 13 8.184 -4.676 2.262 1.00 0.00 C ATOM 231 OE1 GLN A 13 8.654 -3.840 1.503 1.00 0.00 O ATOM 232 NE2 GLN A 13 8.924 -5.098 3.267 1.00 0.00 N ATOM 0 H GLN A 13 3.409 -4.118 1.584 1.00 0.00 H new ATOM 0 HA GLN A 13 5.708 -3.207 3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.002 -4.978 0.898 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.342 -3.953 0.426 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.354 -5.456 3.066 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.867 -6.225 1.578 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.555 -5.795 3.914 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.865 -4.728 3.398 1.00 0.00 H new ATOM 241 N ALA A 14 4.846 -1.540 0.358 1.00 0.00 N ATOM 242 CA ALA A 14 4.763 -0.264 -0.357 1.00 0.00 C ATOM 243 C ALA A 14 3.953 0.807 0.411 1.00 0.00 C ATOM 244 O ALA A 14 3.014 1.415 -0.105 1.00 0.00 O ATOM 245 CB ALA A 14 4.168 -0.548 -1.741 1.00 0.00 C ATOM 0 H ALA A 14 4.312 -2.262 -0.125 1.00 0.00 H new ATOM 0 HA ALA A 14 5.762 0.161 -0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.092 0.383 -2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.812 -1.244 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.176 -0.986 -1.628 1.00 0.00 H new ATOM 251 N MET A 15 4.321 1.019 1.673 1.00 0.00 N ATOM 252 CA MET A 15 3.645 1.871 2.635 1.00 0.00 C ATOM 253 C MET A 15 4.621 2.203 3.746 1.00 0.00 C ATOM 254 O MET A 15 4.871 3.382 3.948 1.00 0.00 O ATOM 255 CB MET A 15 2.385 1.192 3.211 1.00 0.00 C ATOM 256 CG MET A 15 1.630 2.104 4.187 1.00 0.00 C ATOM 257 SD MET A 15 1.145 3.716 3.516 1.00 0.00 S ATOM 258 CE MET A 15 0.158 3.203 2.077 1.00 0.00 C ATOM 0 H MET A 15 5.148 0.572 2.069 1.00 0.00 H new ATOM 0 HA MET A 15 3.315 2.781 2.135 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.721 0.909 2.394 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.671 0.273 3.723 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.734 1.584 4.526 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.255 2.267 5.065 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.734 3.825 2.007 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.751 3.316 1.170 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.136 2.159 2.191 1.00 0.00 H new ATOM 268 N LYS A 16 5.266 1.218 4.391 1.00 0.00 N ATOM 269 CA LYS A 16 6.265 1.503 5.436 1.00 0.00 C ATOM 270 C LYS A 16 7.398 2.397 4.924 1.00 0.00 C ATOM 271 O LYS A 16 7.761 3.353 5.599 1.00 0.00 O ATOM 272 CB LYS A 16 6.818 0.203 6.035 1.00 0.00 C ATOM 273 CG LYS A 16 7.578 0.503 7.344 1.00 0.00 C ATOM 274 CD LYS A 16 8.294 -0.720 7.931 1.00 0.00 C ATOM 275 CE LYS A 16 7.343 -1.624 8.722 1.00 0.00 C ATOM 276 NZ LYS A 16 8.014 -2.889 9.122 1.00 0.00 N ATOM 0 H LYS A 16 5.116 0.225 4.210 1.00 0.00 H new ATOM 0 HA LYS A 16 5.755 2.055 6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.002 -0.492 6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.485 -0.281 5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.311 1.288 7.157 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.876 0.891 8.082 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.750 -1.293 7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.102 -0.388 8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.992 -1.099 9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.465 -1.850 8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.347 -3.482 9.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.327 -3.400 8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.838 -2.671 9.718 1.00 0.00 H new ATOM 290 N LEU A 17 7.920 2.128 3.723 1.00 0.00 N ATOM 291 CA LEU A 17 8.989 2.912 3.109 1.00 0.00 C ATOM 292 C LEU A 17 8.427 4.128 2.376 1.00 0.00 C ATOM 293 O LEU A 17 9.033 5.197 2.401 1.00 0.00 O ATOM 294 CB LEU A 17 9.790 2.075 2.102 1.00 0.00 C ATOM 295 CG LEU A 17 9.966 0.590 2.457 1.00 0.00 C ATOM 296 CD1 LEU A 17 9.203 -0.246 1.437 1.00 0.00 C ATOM 297 CD2 LEU A 17 11.430 0.178 2.493 1.00 0.00 C ATOM 0 H LEU A 17 7.606 1.349 3.145 1.00 0.00 H new ATOM 0 HA LEU A 17 9.643 3.235 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.299 2.141 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.778 2.522 1.991 1.00 0.00 H new ATOM 0 HG LEU A 17 9.570 0.422 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.318 -1.304 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.146 0.020 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.598 -0.053 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.504 -0.879 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.880 0.348 1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.956 0.770 3.242 1.00 0.00 H new ATOM 309 N TYR A 18 7.251 3.962 1.756 1.00 0.00 N ATOM 310 CA TYR A 18 6.568 5.054 1.054 1.00 0.00 C ATOM 311 C TYR A 18 6.282 6.211 2.015 1.00 0.00 C ATOM 312 O TYR A 18 6.681 7.344 1.748 1.00 0.00 O ATOM 313 CB TYR A 18 5.276 4.541 0.404 1.00 0.00 C ATOM 314 CG TYR A 18 5.328 4.419 -1.105 1.00 0.00 C ATOM 315 CD1 TYR A 18 5.161 5.563 -1.909 1.00 0.00 C ATOM 316 CD2 TYR A 18 5.501 3.159 -1.706 1.00 0.00 C ATOM 317 CE1 TYR A 18 5.138 5.440 -3.312 1.00 0.00 C ATOM 318 CE2 TYR A 18 5.424 3.027 -3.104 1.00 0.00 C ATOM 319 CZ TYR A 18 5.236 4.166 -3.912 1.00 0.00 C ATOM 320 OH TYR A 18 5.162 4.022 -5.260 1.00 0.00 O ATOM 0 H TYR A 18 6.750 3.074 1.727 1.00 0.00 H new ATOM 0 HA TYR A 18 7.220 5.428 0.264 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.037 3.564 0.825 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.460 5.212 0.672 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.051 6.534 -1.450 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.693 2.291 -1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.045 6.321 -3.929 1.00 0.00 H new ATOM 0 HE2 TYR A 18 5.509 2.051 -3.559 1.00 0.00 H new ATOM 0 HH TYR A 18 4.222 3.991 -5.535 1.00 0.00 H new ATOM 330 N ARG A 19 5.676 5.925 3.181 1.00 0.00 N ATOM 331 CA ARG A 19 5.435 6.946 4.223 1.00 0.00 C ATOM 332 C ARG A 19 6.706 7.483 4.899 1.00 0.00 C ATOM 333 O ARG A 19 6.644 8.509 5.572 1.00 0.00 O ATOM 334 CB ARG A 19 4.396 6.444 5.246 1.00 0.00 C ATOM 335 CG ARG A 19 4.873 5.327 6.198 1.00 0.00 C ATOM 336 CD ARG A 19 4.903 5.714 7.680 1.00 0.00 C ATOM 337 NE ARG A 19 6.084 6.524 8.043 1.00 0.00 N ATOM 338 CZ ARG A 19 6.405 6.924 9.261 1.00 0.00 C ATOM 339 NH1 ARG A 19 5.645 6.676 10.291 1.00 0.00 N ATOM 340 NH2 ARG A 19 7.503 7.586 9.477 1.00 0.00 N ATOM 0 H ARG A 19 5.342 4.993 3.428 1.00 0.00 H new ATOM 0 HA ARG A 19 5.024 7.812 3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.068 7.292 5.847 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.524 6.083 4.701 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.221 4.462 6.076 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.874 5.016 5.898 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.999 6.272 7.922 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.891 4.808 8.286 1.00 0.00 H new ATOM 0 HE ARG A 19 6.708 6.799 7.285 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.774 6.159 10.169 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.921 6.999 11.218 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.129 7.803 8.701 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.738 7.889 10.422 1.00 0.00 H new ATOM 354 N GLU A 20 7.850 6.810 4.762 1.00 0.00 N ATOM 355 CA GLU A 20 9.137 7.210 5.360 1.00 0.00 C ATOM 356 C GLU A 20 9.875 8.209 4.470 1.00 0.00 C ATOM 357 O GLU A 20 10.126 9.346 4.863 1.00 0.00 O ATOM 358 CB GLU A 20 10.007 5.957 5.572 1.00 0.00 C ATOM 359 CG GLU A 20 11.069 6.086 6.669 1.00 0.00 C ATOM 360 CD GLU A 20 12.325 6.854 6.210 1.00 0.00 C ATOM 361 OE1 GLU A 20 13.113 6.306 5.402 1.00 0.00 O ATOM 362 OE2 GLU A 20 12.552 7.993 6.686 1.00 0.00 O ATOM 0 H GLU A 20 7.915 5.949 4.219 1.00 0.00 H new ATOM 0 HA GLU A 20 8.940 7.695 6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.356 5.117 5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.504 5.714 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.634 6.595 7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.361 5.090 7.002 1.00 0.00 H new ATOM 369 N ALA A 21 10.168 7.798 3.238 1.00 0.00 N ATOM 370 CA ALA A 21 10.842 8.641 2.258 1.00 0.00 C ATOM 371 C ALA A 21 10.028 9.904 1.925 1.00 0.00 C ATOM 372 O ALA A 21 10.610 10.983 1.825 1.00 0.00 O ATOM 373 CB ALA A 21 11.138 7.798 1.023 1.00 0.00 C ATOM 0 H ALA A 21 9.943 6.866 2.892 1.00 0.00 H new ATOM 0 HA ALA A 21 11.780 9.007 2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.643 8.411 0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.779 6.961 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.204 7.418 0.609 1.00 0.00 H new ATOM 379 N SER A 22 8.692 9.818 1.850 1.00 0.00 N ATOM 380 CA SER A 22 7.805 10.987 1.695 1.00 0.00 C ATOM 381 C SER A 22 8.028 12.063 2.755 1.00 0.00 C ATOM 382 O SER A 22 8.056 13.255 2.453 1.00 0.00 O ATOM 383 CB SER A 22 6.347 10.548 1.785 1.00 0.00 C ATOM 384 OG SER A 22 5.502 11.507 1.180 1.00 0.00 O ATOM 0 H SER A 22 8.190 8.931 1.895 1.00 0.00 H new ATOM 0 HA SER A 22 8.042 11.413 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.221 9.583 1.295 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.065 10.414 2.829 1.00 0.00 H new ATOM 0 HG SER A 22 4.570 11.210 1.245 1.00 0.00 H new ATOM 390 N GLU A 23 8.236 11.635 4.000 1.00 0.00 N ATOM 391 CA GLU A 23 8.528 12.518 5.140 1.00 0.00 C ATOM 392 C GLU A 23 9.811 13.353 4.932 1.00 0.00 C ATOM 393 O GLU A 23 9.826 14.553 5.219 1.00 0.00 O ATOM 394 CB GLU A 23 8.639 11.687 6.431 1.00 0.00 C ATOM 395 CG GLU A 23 8.293 12.509 7.680 1.00 0.00 C ATOM 396 CD GLU A 23 8.731 11.808 8.983 1.00 0.00 C ATOM 397 OE1 GLU A 23 8.526 10.579 9.134 1.00 0.00 O ATOM 398 OE2 GLU A 23 9.273 12.496 9.884 1.00 0.00 O ATOM 0 H GLU A 23 8.207 10.648 4.254 1.00 0.00 H new ATOM 0 HA GLU A 23 7.700 13.223 5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.971 10.828 6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.652 11.297 6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.775 13.484 7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.218 12.686 7.709 1.00 0.00 H new ATOM 405 N ARG A 24 10.878 12.736 4.396 1.00 0.00 N ATOM 406 CA ARG A 24 12.147 13.405 4.043 1.00 0.00 C ATOM 407 C ARG A 24 12.027 14.248 2.764 1.00 0.00 C ATOM 408 O ARG A 24 12.554 15.361 2.715 1.00 0.00 O ATOM 409 CB ARG A 24 13.252 12.333 3.939 1.00 0.00 C ATOM 410 CG ARG A 24 14.651 12.869 3.562 1.00 0.00 C ATOM 411 CD ARG A 24 15.764 12.414 4.520 1.00 0.00 C ATOM 412 NE ARG A 24 15.933 13.353 5.650 1.00 0.00 N ATOM 413 CZ ARG A 24 16.640 13.157 6.750 1.00 0.00 C ATOM 414 NH1 ARG A 24 17.201 12.014 7.025 1.00 0.00 N ATOM 415 NH2 ARG A 24 16.807 14.127 7.604 1.00 0.00 N ATOM 0 H ARG A 24 10.885 11.737 4.191 1.00 0.00 H new ATOM 0 HA ARG A 24 12.409 14.115 4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.324 11.814 4.895 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.951 11.594 3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.896 12.541 2.552 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.621 13.958 3.545 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.530 11.421 4.904 1.00 0.00 H new ATOM 0 HD3 ARG A 24 16.703 12.331 3.973 1.00 0.00 H new ATOM 0 HE ARG A 24 15.452 14.249 5.572 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.103 11.229 6.381 1.00 0.00 H new ATOM 0 HH12 ARG A 24 17.739 11.904 7.885 1.00 0.00 H new ATOM 0 HH21 ARG A 24 16.392 15.041 7.425 1.00 0.00 H new ATOM 0 HH22 ARG A 24 17.353 13.972 8.451 1.00 0.00 H new ATOM 429 N VAL A 25 11.324 13.746 1.746 1.00 0.00 N ATOM 430 CA VAL A 25 11.107 14.416 0.447 1.00 0.00 C ATOM 431 C VAL A 25 10.268 15.696 0.596 1.00 0.00 C ATOM 432 O VAL A 25 10.655 16.751 0.090 1.00 0.00 O ATOM 433 CB VAL A 25 10.425 13.453 -0.545 1.00 0.00 C ATOM 434 CG1 VAL A 25 10.057 14.145 -1.861 1.00 0.00 C ATOM 435 CG2 VAL A 25 11.291 12.233 -0.905 1.00 0.00 C ATOM 0 H VAL A 25 10.873 12.833 1.798 1.00 0.00 H new ATOM 0 HA VAL A 25 12.085 14.702 0.060 1.00 0.00 H new ATOM 0 HB VAL A 25 9.530 13.121 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.579 13.428 -2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.370 14.967 -1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.960 14.534 -2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.751 11.597 -1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.221 12.569 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.515 11.667 -0.001 1.00 0.00 H new ATOM 445 N GLY A 26 9.128 15.614 1.291 1.00 0.00 N ATOM 446 CA GLY A 26 8.186 16.722 1.479 1.00 0.00 C ATOM 447 C GLY A 26 7.362 17.080 0.230 1.00 0.00 C ATOM 448 O GLY A 26 7.228 18.263 -0.087 1.00 0.00 O ATOM 0 H GLY A 26 8.828 14.754 1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.502 16.467 2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.742 17.604 1.797 1.00 0.00 H new ATOM 452 N ASP A 27 6.820 16.088 -0.492 1.00 0.00 N ATOM 453 CA ASP A 27 5.984 16.294 -1.693 1.00 0.00 C ATOM 454 C ASP A 27 4.497 15.958 -1.435 1.00 0.00 C ATOM 455 O ASP A 27 4.199 14.911 -0.849 1.00 0.00 O ATOM 456 CB ASP A 27 6.503 15.451 -2.875 1.00 0.00 C ATOM 457 CG ASP A 27 7.353 16.264 -3.868 1.00 0.00 C ATOM 458 OD1 ASP A 27 6.864 17.304 -4.367 1.00 0.00 O ATOM 459 OD2 ASP A 27 8.488 15.845 -4.192 1.00 0.00 O ATOM 0 H ASP A 27 6.950 15.104 -0.258 1.00 0.00 H new ATOM 0 HA ASP A 27 6.054 17.353 -1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.098 14.623 -2.490 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.655 15.016 -3.403 1.00 0.00 H new ATOM 464 N PRO A 28 3.542 16.788 -1.909 1.00 0.00 N ATOM 465 CA PRO A 28 2.117 16.586 -1.646 1.00 0.00 C ATOM 466 C PRO A 28 1.554 15.394 -2.423 1.00 0.00 C ATOM 467 O PRO A 28 0.803 14.591 -1.870 1.00 0.00 O ATOM 468 CB PRO A 28 1.437 17.899 -2.051 1.00 0.00 C ATOM 469 CG PRO A 28 2.361 18.491 -3.116 1.00 0.00 C ATOM 470 CD PRO A 28 3.748 17.980 -2.723 1.00 0.00 C ATOM 0 HA PRO A 28 1.938 16.349 -0.597 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.436 17.723 -2.446 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.330 18.571 -1.199 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.082 18.160 -4.116 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.322 19.580 -3.118 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.339 17.746 -3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.296 18.739 -2.165 1.00 0.00 H new ATOM 478 N VAL A 29 1.956 15.231 -3.688 1.00 0.00 N ATOM 479 CA VAL A 29 1.552 14.092 -4.524 1.00 0.00 C ATOM 480 C VAL A 29 2.097 12.762 -3.993 1.00 0.00 C ATOM 481 O VAL A 29 1.425 11.739 -4.085 1.00 0.00 O ATOM 482 CB VAL A 29 1.933 14.348 -5.995 1.00 0.00 C ATOM 483 CG1 VAL A 29 3.429 14.209 -6.306 1.00 0.00 C ATOM 484 CG2 VAL A 29 1.168 13.416 -6.924 1.00 0.00 C ATOM 0 H VAL A 29 2.574 15.888 -4.164 1.00 0.00 H new ATOM 0 HA VAL A 29 0.467 14.001 -4.476 1.00 0.00 H new ATOM 0 HB VAL A 29 1.663 15.390 -6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.601 14.407 -7.364 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.993 14.924 -5.707 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.758 13.197 -6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.454 13.616 -7.957 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.404 12.381 -6.676 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.097 13.582 -6.805 1.00 0.00 H new ATOM 494 N LEU A 30 3.275 12.773 -3.360 1.00 0.00 N ATOM 495 CA LEU A 30 3.878 11.590 -2.742 1.00 0.00 C ATOM 496 C LEU A 30 3.112 11.165 -1.476 1.00 0.00 C ATOM 497 O LEU A 30 2.829 9.983 -1.277 1.00 0.00 O ATOM 498 CB LEU A 30 5.361 11.892 -2.463 1.00 0.00 C ATOM 499 CG LEU A 30 6.301 10.721 -2.781 1.00 0.00 C ATOM 500 CD1 LEU A 30 7.734 11.147 -2.469 1.00 0.00 C ATOM 501 CD2 LEU A 30 5.980 9.436 -2.022 1.00 0.00 C ATOM 0 H LEU A 30 3.843 13.615 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 30 3.814 10.740 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.663 12.758 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.476 12.164 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 30 6.167 10.488 -3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.414 10.325 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.998 12.010 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.814 11.410 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.691 8.659 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.050 9.620 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.970 9.110 -2.269 1.00 0.00 H new ATOM 513 N ALA A 31 2.674 12.132 -0.665 1.00 0.00 N ATOM 514 CA ALA A 31 1.736 11.880 0.428 1.00 0.00 C ATOM 515 C ALA A 31 0.357 11.399 -0.091 1.00 0.00 C ATOM 516 O ALA A 31 -0.252 10.510 0.502 1.00 0.00 O ATOM 517 CB ALA A 31 1.636 13.141 1.297 1.00 0.00 C ATOM 0 H ALA A 31 2.960 13.108 -0.749 1.00 0.00 H new ATOM 0 HA ALA A 31 2.110 11.063 1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.939 12.964 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.618 13.382 1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.280 13.974 0.690 1.00 0.00 H new ATOM 523 N LYS A 32 -0.120 11.918 -1.234 1.00 0.00 N ATOM 524 CA LYS A 32 -1.360 11.464 -1.899 1.00 0.00 C ATOM 525 C LYS A 32 -1.263 10.028 -2.443 1.00 0.00 C ATOM 526 O LYS A 32 -2.232 9.274 -2.380 1.00 0.00 O ATOM 527 CB LYS A 32 -1.750 12.464 -3.004 1.00 0.00 C ATOM 528 CG LYS A 32 -3.198 12.296 -3.511 1.00 0.00 C ATOM 529 CD LYS A 32 -4.130 13.392 -2.972 1.00 0.00 C ATOM 530 CE LYS A 32 -5.583 13.201 -3.436 1.00 0.00 C ATOM 531 NZ LYS A 32 -5.841 13.802 -4.773 1.00 0.00 N ATOM 0 H LYS A 32 0.348 12.675 -1.732 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.147 11.436 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.623 13.478 -2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.065 12.349 -3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.205 12.319 -4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.576 11.319 -3.210 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.096 13.392 -1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.770 14.367 -3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.812 12.136 -3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.256 13.649 -2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.834 13.645 -5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.649 14.824 -4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.220 13.358 -5.479 1.00 0.00 H new ATOM 545 N ILE A 33 -0.091 9.603 -2.912 1.00 0.00 N ATOM 546 CA ILE A 33 0.173 8.213 -3.327 1.00 0.00 C ATOM 547 C ILE A 33 -0.050 7.230 -2.178 1.00 0.00 C ATOM 548 O ILE A 33 -0.772 6.251 -2.371 1.00 0.00 O ATOM 549 CB ILE A 33 1.582 8.098 -3.944 1.00 0.00 C ATOM 550 CG1 ILE A 33 1.547 8.657 -5.377 1.00 0.00 C ATOM 551 CG2 ILE A 33 2.103 6.650 -3.977 1.00 0.00 C ATOM 552 CD1 ILE A 33 2.901 9.200 -5.821 1.00 0.00 C ATOM 0 H ILE A 33 0.717 10.217 -3.018 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.545 7.938 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 33 2.263 8.671 -3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.231 7.871 -6.063 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.803 9.451 -5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.098 6.631 -4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.152 6.258 -2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.428 6.034 -4.572 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.824 9.583 -6.839 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.207 10.005 -5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.642 8.401 -5.789 1.00 0.00 H new ATOM 564 N LEU A 34 0.483 7.503 -0.980 1.00 0.00 N ATOM 565 CA LEU A 34 0.214 6.663 0.195 1.00 0.00 C ATOM 566 C LEU A 34 -1.301 6.620 0.520 1.00 0.00 C ATOM 567 O LEU A 34 -1.824 5.579 0.899 1.00 0.00 O ATOM 568 CB LEU A 34 1.152 7.058 1.371 1.00 0.00 C ATOM 569 CG LEU A 34 0.538 7.927 2.491 1.00 0.00 C ATOM 570 CD1 LEU A 34 -0.231 7.106 3.536 1.00 0.00 C ATOM 571 CD2 LEU A 34 1.597 8.764 3.226 1.00 0.00 C ATOM 0 H LEU A 34 1.100 8.295 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 34 0.463 5.624 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.534 6.143 1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.008 7.591 0.958 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.160 8.586 1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.638 7.774 4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.046 6.570 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.444 6.391 4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.116 9.357 4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.334 8.101 3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.092 9.428 2.517 1.00 0.00 H new ATOM 583 N GLU A 35 -2.043 7.706 0.296 1.00 0.00 N ATOM 584 CA GLU A 35 -3.495 7.770 0.493 1.00 0.00 C ATOM 585 C GLU A 35 -4.266 6.857 -0.474 1.00 0.00 C ATOM 586 O GLU A 35 -5.205 6.166 -0.076 1.00 0.00 O ATOM 587 CB GLU A 35 -3.924 9.237 0.321 1.00 0.00 C ATOM 588 CG GLU A 35 -4.299 9.924 1.634 1.00 0.00 C ATOM 589 CD GLU A 35 -5.818 10.146 1.774 1.00 0.00 C ATOM 590 OE1 GLU A 35 -6.595 9.162 1.727 1.00 0.00 O ATOM 591 OE2 GLU A 35 -6.248 11.314 1.946 1.00 0.00 O ATOM 0 H GLU A 35 -1.644 8.585 -0.034 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.734 7.409 1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.112 9.791 -0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.776 9.280 -0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.945 9.320 2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.788 10.885 1.696 1.00 0.00 H new ATOM 598 N ASP A 36 -3.857 6.800 -1.741 1.00 0.00 N ATOM 599 CA ASP A 36 -4.392 5.841 -2.710 1.00 0.00 C ATOM 600 C ASP A 36 -3.985 4.379 -2.399 1.00 0.00 C ATOM 601 O ASP A 36 -4.788 3.465 -2.592 1.00 0.00 O ATOM 602 CB ASP A 36 -3.946 6.270 -4.109 1.00 0.00 C ATOM 603 CG ASP A 36 -4.941 7.233 -4.780 1.00 0.00 C ATOM 604 OD1 ASP A 36 -4.880 8.460 -4.529 1.00 0.00 O ATOM 605 OD2 ASP A 36 -5.782 6.762 -5.580 1.00 0.00 O ATOM 0 H ASP A 36 -3.144 7.419 -2.126 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.480 5.851 -2.648 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.970 6.750 -4.043 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.825 5.386 -4.734 1.00 0.00 H new ATOM 610 N GLU A 37 -2.789 4.129 -1.845 1.00 0.00 N ATOM 611 CA GLU A 37 -2.343 2.792 -1.389 1.00 0.00 C ATOM 612 C GLU A 37 -3.109 2.215 -0.150 1.00 0.00 C ATOM 613 O GLU A 37 -2.777 1.136 0.338 1.00 0.00 O ATOM 614 CB GLU A 37 -0.816 2.766 -1.132 1.00 0.00 C ATOM 615 CG GLU A 37 0.165 2.895 -2.314 1.00 0.00 C ATOM 616 CD GLU A 37 0.041 1.830 -3.413 1.00 0.00 C ATOM 617 OE1 GLU A 37 -0.911 1.018 -3.460 1.00 0.00 O ATOM 618 OE2 GLU A 37 0.795 1.838 -4.417 1.00 0.00 O ATOM 0 H GLU A 37 -2.090 4.857 -1.696 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.594 2.131 -2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.591 3.572 -0.434 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.589 1.830 -0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.027 3.876 -2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.181 2.866 -1.921 1.00 0.00 H new ATOM 625 N GLU A 38 -4.170 2.868 0.337 1.00 0.00 N ATOM 626 CA GLU A 38 -4.996 2.522 1.504 1.00 0.00 C ATOM 627 C GLU A 38 -6.265 1.813 1.011 1.00 0.00 C ATOM 628 O GLU A 38 -6.568 0.703 1.444 1.00 0.00 O ATOM 629 CB GLU A 38 -5.434 3.781 2.289 1.00 0.00 C ATOM 630 CG GLU A 38 -4.316 4.580 2.981 1.00 0.00 C ATOM 631 CD GLU A 38 -4.235 4.278 4.490 1.00 0.00 C ATOM 632 OE1 GLU A 38 -3.837 3.149 4.868 1.00 0.00 O ATOM 633 OE2 GLU A 38 -4.574 5.166 5.312 1.00 0.00 O ATOM 0 H GLU A 38 -4.502 3.723 -0.110 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.402 1.886 2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.955 4.448 1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.156 3.477 3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.360 4.345 2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.489 5.646 2.834 1.00 0.00 H new ATOM 640 N LYS A 39 -6.978 2.385 0.024 1.00 0.00 N ATOM 641 CA LYS A 39 -8.089 1.688 -0.654 1.00 0.00 C ATOM 642 C LYS A 39 -7.635 0.364 -1.276 1.00 0.00 C ATOM 643 O LYS A 39 -8.326 -0.652 -1.208 1.00 0.00 O ATOM 644 CB LYS A 39 -8.730 2.613 -1.703 1.00 0.00 C ATOM 645 CG LYS A 39 -9.843 3.478 -1.097 1.00 0.00 C ATOM 646 CD LYS A 39 -9.376 4.812 -0.496 1.00 0.00 C ATOM 647 CE LYS A 39 -10.476 5.329 0.442 1.00 0.00 C ATOM 648 NZ LYS A 39 -10.434 6.805 0.608 1.00 0.00 N ATOM 0 H LYS A 39 -6.805 3.329 -0.323 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.842 1.439 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.964 3.257 -2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.138 2.012 -2.516 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.583 3.685 -1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.346 2.903 -0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.443 4.676 0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.179 5.536 -1.286 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.450 5.038 0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.371 4.854 1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.196 7.104 1.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.515 7.083 1.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.561 7.262 -0.317 1.00 0.00 H new ATOM 662 N HIS A 40 -6.399 0.371 -1.765 1.00 0.00 N ATOM 663 CA HIS A 40 -5.617 -0.764 -2.252 1.00 0.00 C ATOM 664 C HIS A 40 -5.309 -1.893 -1.264 1.00 0.00 C ATOM 665 O HIS A 40 -4.737 -2.877 -1.715 1.00 0.00 O ATOM 666 CB HIS A 40 -4.300 -0.185 -2.767 1.00 0.00 C ATOM 667 CG HIS A 40 -4.327 0.273 -4.199 1.00 0.00 C ATOM 668 ND1 HIS A 40 -3.193 0.618 -4.947 1.00 0.00 N ATOM 669 CD2 HIS A 40 -5.444 0.478 -4.950 1.00 0.00 C ATOM 670 CE1 HIS A 40 -3.684 1.079 -6.117 1.00 0.00 C ATOM 671 NE2 HIS A 40 -5.012 0.949 -6.159 1.00 0.00 N ATOM 0 H HIS A 40 -5.874 1.242 -1.837 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.236 -1.254 -3.004 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -4.019 0.658 -2.136 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -3.521 -0.939 -2.656 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -6.467 0.303 -4.651 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.084 1.497 -6.912 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -5.606 1.165 -6.960 1.00 0.00 H new ATOM 679 N ILE A 41 -5.663 -1.806 0.022 1.00 0.00 N ATOM 680 CA ILE A 41 -5.473 -2.872 1.028 1.00 0.00 C ATOM 681 C ILE A 41 -6.811 -3.294 1.663 1.00 0.00 C ATOM 682 O ILE A 41 -6.990 -4.446 2.057 1.00 0.00 O ATOM 683 CB ILE A 41 -4.407 -2.455 2.075 1.00 0.00 C ATOM 684 CG1 ILE A 41 -3.847 -3.685 2.836 1.00 0.00 C ATOM 685 CG2 ILE A 41 -4.861 -1.351 3.058 1.00 0.00 C ATOM 686 CD1 ILE A 41 -2.438 -4.060 2.379 1.00 0.00 C ATOM 0 H ILE A 41 -6.103 -0.971 0.409 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.089 -3.759 0.524 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.605 -2.005 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.835 -3.473 3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.513 -4.535 2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.051 -1.126 3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.122 -0.452 2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.731 -1.696 3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.091 -4.927 2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.452 -4.300 1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.764 -3.221 2.553 1.00 0.00 H new ATOM 698 N GLU A 42 -7.791 -2.387 1.691 1.00 0.00 N ATOM 699 CA GLU A 42 -9.139 -2.637 2.210 1.00 0.00 C ATOM 700 C GLU A 42 -9.935 -3.553 1.266 1.00 0.00 C ATOM 701 O GLU A 42 -10.461 -4.593 1.674 1.00 0.00 O ATOM 702 CB GLU A 42 -9.840 -1.275 2.402 1.00 0.00 C ATOM 703 CG GLU A 42 -10.537 -1.183 3.762 1.00 0.00 C ATOM 704 CD GLU A 42 -11.050 0.246 4.040 1.00 0.00 C ATOM 705 OE1 GLU A 42 -11.835 0.792 3.226 1.00 0.00 O ATOM 706 OE2 GLU A 42 -10.683 0.830 5.089 1.00 0.00 O ATOM 0 H GLU A 42 -7.666 -1.436 1.345 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.080 -3.155 3.167 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.107 -0.473 2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.571 -1.127 1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.372 -1.883 3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.843 -1.481 4.548 1.00 0.00 H new ATOM 713 N TRP A 43 -9.954 -3.211 -0.026 1.00 0.00 N ATOM 714 CA TRP A 43 -10.539 -4.044 -1.078 1.00 0.00 C ATOM 715 C TRP A 43 -9.701 -5.292 -1.381 1.00 0.00 C ATOM 716 O TRP A 43 -10.247 -6.306 -1.801 1.00 0.00 O ATOM 717 CB TRP A 43 -10.695 -3.206 -2.346 1.00 0.00 C ATOM 718 CG TRP A 43 -11.541 -1.974 -2.223 1.00 0.00 C ATOM 719 CD1 TRP A 43 -12.652 -1.835 -1.460 1.00 0.00 C ATOM 720 CD2 TRP A 43 -11.371 -0.695 -2.909 1.00 0.00 C ATOM 721 NE1 TRP A 43 -13.171 -0.566 -1.620 1.00 0.00 N ATOM 722 CE2 TRP A 43 -12.444 0.167 -2.533 1.00 0.00 C ATOM 723 CE3 TRP A 43 -10.448 -0.197 -3.855 1.00 0.00 C ATOM 724 CZ2 TRP A 43 -12.600 1.452 -3.073 1.00 0.00 C ATOM 725 CZ3 TRP A 43 -10.612 1.078 -4.429 1.00 0.00 C ATOM 726 CH2 TRP A 43 -11.680 1.905 -4.035 1.00 0.00 C ATOM 0 H TRP A 43 -9.559 -2.337 -0.373 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.509 -4.393 -0.723 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.703 -2.908 -2.685 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.121 -3.838 -3.125 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -13.069 -2.601 -0.823 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.990 -0.215 -1.124 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.603 -0.804 -4.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -13.415 2.085 -2.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.913 1.424 -5.177 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.793 2.887 -4.471 1.00 0.00 H new ATOM 737 N LEU A 44 -8.390 -5.234 -1.138 1.00 0.00 N ATOM 738 CA LEU A 44 -7.451 -6.348 -1.292 1.00 0.00 C ATOM 739 C LEU A 44 -7.865 -7.587 -0.486 1.00 0.00 C ATOM 740 O LEU A 44 -8.045 -8.663 -1.047 1.00 0.00 O ATOM 741 CB LEU A 44 -6.085 -5.827 -0.832 1.00 0.00 C ATOM 742 CG LEU A 44 -4.857 -6.464 -1.470 1.00 0.00 C ATOM 743 CD1 LEU A 44 -3.607 -5.867 -0.848 1.00 0.00 C ATOM 744 CD2 LEU A 44 -4.830 -7.984 -1.402 1.00 0.00 C ATOM 0 H LEU A 44 -7.936 -4.379 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.429 -6.675 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.049 -4.754 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.016 -5.962 0.247 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.900 -6.235 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.724 -6.319 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.593 -4.791 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.605 -6.062 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.922 -8.353 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.847 -8.302 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.701 -8.387 -1.919 1.00 0.00 H new ATOM 756 N GLU A 45 -8.054 -7.443 0.826 1.00 0.00 N ATOM 757 CA GLU A 45 -8.543 -8.548 1.672 1.00 0.00 C ATOM 758 C GLU A 45 -9.952 -8.994 1.254 1.00 0.00 C ATOM 759 O GLU A 45 -10.238 -10.186 1.164 1.00 0.00 O ATOM 760 CB GLU A 45 -8.535 -8.146 3.153 1.00 0.00 C ATOM 761 CG GLU A 45 -8.542 -9.366 4.096 1.00 0.00 C ATOM 762 CD GLU A 45 -9.850 -9.481 4.906 1.00 0.00 C ATOM 763 OE1 GLU A 45 -10.848 -10.041 4.393 1.00 0.00 O ATOM 764 OE2 GLU A 45 -9.882 -9.029 6.077 1.00 0.00 O ATOM 0 H GLU A 45 -7.878 -6.575 1.332 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.865 -9.390 1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.653 -7.539 3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.405 -7.524 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.400 -10.274 3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.699 -9.295 4.783 1.00 0.00 H new ATOM 771 N THR A 46 -10.808 -8.033 0.903 1.00 0.00 N ATOM 772 CA THR A 46 -12.148 -8.289 0.340 1.00 0.00 C ATOM 773 C THR A 46 -12.099 -9.098 -0.977 1.00 0.00 C ATOM 774 O THR A 46 -13.035 -9.842 -1.278 1.00 0.00 O ATOM 775 CB THR A 46 -12.931 -6.972 0.180 1.00 0.00 C ATOM 776 OG1 THR A 46 -12.961 -6.255 1.401 1.00 0.00 O ATOM 777 CG2 THR A 46 -14.396 -7.165 -0.213 1.00 0.00 C ATOM 0 H THR A 46 -10.594 -7.040 1.000 1.00 0.00 H new ATOM 0 HA THR A 46 -12.684 -8.916 1.053 1.00 0.00 H new ATOM 0 HB THR A 46 -12.404 -6.441 -0.613 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.138 -5.730 1.493 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.879 -6.192 -0.306 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.451 -7.690 -1.167 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.904 -7.751 0.553 1.00 0.00 H new ATOM 785 N ILE A 47 -10.988 -9.051 -1.730 1.00 0.00 N ATOM 786 CA ILE A 47 -10.750 -9.839 -2.957 1.00 0.00 C ATOM 787 C ILE A 47 -10.571 -11.352 -2.708 1.00 0.00 C ATOM 788 O ILE A 47 -10.595 -12.156 -3.641 1.00 0.00 O ATOM 789 CB ILE A 47 -9.611 -9.188 -3.807 1.00 0.00 C ATOM 790 CG1 ILE A 47 -10.076 -8.793 -5.230 1.00 0.00 C ATOM 791 CG2 ILE A 47 -8.323 -10.024 -3.913 1.00 0.00 C ATOM 792 CD1 ILE A 47 -10.408 -7.299 -5.340 1.00 0.00 C ATOM 0 H ILE A 47 -10.202 -8.444 -1.496 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.661 -9.799 -3.554 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.366 -8.290 -3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.295 -9.043 -5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.955 -9.379 -5.498 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.592 -9.491 -4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.914 -10.190 -2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.550 -10.984 -4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.729 -7.072 -6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.209 -7.052 -4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.523 -6.711 -5.099 1.00 0.00 H new ATOM 804 N ASN A 48 -10.456 -11.755 -1.439 1.00 0.00 N ATOM 805 CA ASN A 48 -10.417 -13.154 -0.975 1.00 0.00 C ATOM 806 C ASN A 48 -11.784 -13.879 -1.082 1.00 0.00 C ATOM 807 O ASN A 48 -11.867 -15.093 -0.877 1.00 0.00 O ATOM 808 CB ASN A 48 -9.867 -13.178 0.472 1.00 0.00 C ATOM 809 CG ASN A 48 -9.162 -14.465 0.891 1.00 0.00 C ATOM 810 OD1 ASN A 48 -9.176 -15.495 0.232 1.00 0.00 O ATOM 811 ND2 ASN A 48 -8.438 -14.420 1.989 1.00 0.00 N ATOM 0 H ASN A 48 -10.384 -11.089 -0.670 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.754 -13.713 -1.636 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.170 -12.349 0.590 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.694 -12.999 1.159 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.900 -15.236 2.279 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.415 -13.569 2.550 1.00 0.00 H new ATOM 818 N GLY A 49 -12.858 -13.143 -1.402 1.00 0.00 N ATOM 819 CA GLY A 49 -14.239 -13.643 -1.522 1.00 0.00 C ATOM 820 C GLY A 49 -15.159 -13.201 -0.380 1.00 0.00 C ATOM 821 O GLY A 49 -16.387 -13.156 -0.612 1.00 0.00 O ATOM 822 OXT GLY A 49 -14.667 -12.928 0.738 1.00 0.00 O ATOM 0 H GLY A 49 -12.788 -12.143 -1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.659 -13.300 -2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.219 -14.732 -1.559 1.00 0.00 H new TER 826 GLY A 49 ATOM 827 N MET B 1 19.323 8.377 -6.431 1.00 0.00 N ATOM 828 CA MET B 1 18.391 7.251 -6.700 1.00 0.00 C ATOM 829 C MET B 1 18.699 6.065 -5.786 1.00 0.00 C ATOM 830 O MET B 1 19.813 5.546 -5.784 1.00 0.00 O ATOM 831 CB MET B 1 18.321 6.858 -8.194 1.00 0.00 C ATOM 832 CG MET B 1 19.625 6.375 -8.852 1.00 0.00 C ATOM 833 SD MET B 1 19.837 4.574 -8.966 1.00 0.00 S ATOM 834 CE MET B 1 21.404 4.532 -9.879 1.00 0.00 C ATOM 0 H1 MET B 1 19.142 9.147 -7.107 1.00 0.00 H new ATOM 0 H2 MET B 1 19.176 8.725 -5.462 1.00 0.00 H new ATOM 0 H3 MET B 1 20.304 8.048 -6.536 1.00 0.00 H new ATOM 0 HA MET B 1 17.387 7.600 -6.460 1.00 0.00 H new ATOM 0 HB2 MET B 1 17.575 6.070 -8.302 1.00 0.00 H new ATOM 0 HB3 MET B 1 17.958 7.720 -8.754 1.00 0.00 H new ATOM 0 HG2 MET B 1 19.678 6.792 -9.858 1.00 0.00 H new ATOM 0 HG3 MET B 1 20.465 6.786 -8.292 1.00 0.00 H new ATOM 0 HE1 MET B 1 21.700 3.496 -10.046 1.00 0.00 H new ATOM 0 HE2 MET B 1 21.279 5.033 -10.839 1.00 0.00 H new ATOM 0 HE3 MET B 1 22.175 5.041 -9.301 1.00 0.00 H new ATOM 846 N ASP B 2 17.716 5.682 -4.967 1.00 0.00 N ATOM 847 CA ASP B 2 17.801 4.625 -3.942 1.00 0.00 C ATOM 848 C ASP B 2 16.416 4.363 -3.319 1.00 0.00 C ATOM 849 O ASP B 2 15.893 3.254 -3.420 1.00 0.00 O ATOM 850 CB ASP B 2 18.837 4.974 -2.844 1.00 0.00 C ATOM 851 CG ASP B 2 18.626 6.335 -2.150 1.00 0.00 C ATOM 852 OD1 ASP B 2 18.725 7.393 -2.818 1.00 0.00 O ATOM 853 OD2 ASP B 2 18.350 6.350 -0.927 1.00 0.00 O ATOM 0 H ASP B 2 16.794 6.117 -4.998 1.00 0.00 H new ATOM 0 HA ASP B 2 18.140 3.714 -4.435 1.00 0.00 H new ATOM 0 HB2 ASP B 2 18.817 4.191 -2.086 1.00 0.00 H new ATOM 0 HB3 ASP B 2 19.832 4.962 -3.289 1.00 0.00 H new ATOM 858 N TYR B 3 15.779 5.403 -2.764 1.00 0.00 N ATOM 859 CA TYR B 3 14.432 5.333 -2.190 1.00 0.00 C ATOM 860 C TYR B 3 13.378 5.084 -3.274 1.00 0.00 C ATOM 861 O TYR B 3 12.690 4.065 -3.232 1.00 0.00 O ATOM 862 CB TYR B 3 14.145 6.625 -1.405 1.00 0.00 C ATOM 863 CG TYR B 3 12.674 6.890 -1.122 1.00 0.00 C ATOM 864 CD1 TYR B 3 11.880 5.911 -0.490 1.00 0.00 C ATOM 865 CD2 TYR B 3 12.090 8.106 -1.535 1.00 0.00 C ATOM 866 CE1 TYR B 3 10.505 6.141 -0.288 1.00 0.00 C ATOM 867 CE2 TYR B 3 10.717 8.339 -1.333 1.00 0.00 C ATOM 868 CZ TYR B 3 9.920 7.352 -0.714 1.00 0.00 C ATOM 869 OH TYR B 3 8.594 7.569 -0.508 1.00 0.00 O ATOM 0 H TYR B 3 16.194 6.332 -2.701 1.00 0.00 H new ATOM 0 HA TYR B 3 14.380 4.488 -1.504 1.00 0.00 H new ATOM 0 HB2 TYR B 3 14.680 6.583 -0.457 1.00 0.00 H new ATOM 0 HB3 TYR B 3 14.550 7.469 -1.963 1.00 0.00 H new ATOM 0 HD1 TYR B 3 12.326 4.984 -0.161 1.00 0.00 H new ATOM 0 HD2 TYR B 3 12.699 8.862 -2.008 1.00 0.00 H new ATOM 0 HE1 TYR B 3 9.898 5.389 0.194 1.00 0.00 H new ATOM 0 HE2 TYR B 3 10.274 9.271 -1.651 1.00 0.00 H new ATOM 0 HH TYR B 3 8.339 7.225 0.374 1.00 0.00 H new ATOM 879 N LEU B 4 13.284 5.964 -4.283 1.00 0.00 N ATOM 880 CA LEU B 4 12.286 5.865 -5.340 1.00 0.00 C ATOM 881 C LEU B 4 12.435 4.582 -6.171 1.00 0.00 C ATOM 882 O LEU B 4 11.444 4.053 -6.658 1.00 0.00 O ATOM 883 CB LEU B 4 12.320 7.163 -6.176 1.00 0.00 C ATOM 884 CG LEU B 4 13.217 7.141 -7.427 1.00 0.00 C ATOM 885 CD1 LEU B 4 12.707 8.123 -8.471 1.00 0.00 C ATOM 886 CD2 LEU B 4 14.675 7.447 -7.097 1.00 0.00 C ATOM 0 H LEU B 4 13.906 6.766 -4.382 1.00 0.00 H new ATOM 0 HA LEU B 4 11.293 5.775 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU B 4 11.302 7.397 -6.488 1.00 0.00 H new ATOM 0 HB3 LEU B 4 12.651 7.977 -5.531 1.00 0.00 H new ATOM 0 HG LEU B 4 13.173 6.129 -7.830 1.00 0.00 H new ATOM 0 HD11 LEU B 4 13.355 8.092 -9.347 1.00 0.00 H new ATOM 0 HD12 LEU B 4 11.692 7.852 -8.761 1.00 0.00 H new ATOM 0 HD13 LEU B 4 12.708 9.130 -8.054 1.00 0.00 H new ATOM 0 HD21 LEU B 4 15.268 7.420 -8.011 1.00 0.00 H new ATOM 0 HD22 LEU B 4 14.746 8.437 -6.647 1.00 0.00 H new ATOM 0 HD23 LEU B 4 15.053 6.703 -6.397 1.00 0.00 H new ATOM 898 N ARG B 5 13.663 4.064 -6.310 1.00 0.00 N ATOM 899 CA ARG B 5 13.964 2.786 -6.974 1.00 0.00 C ATOM 900 C ARG B 5 13.277 1.633 -6.266 1.00 0.00 C ATOM 901 O ARG B 5 12.556 0.876 -6.909 1.00 0.00 O ATOM 902 CB ARG B 5 15.490 2.569 -6.985 1.00 0.00 C ATOM 903 CG ARG B 5 16.171 3.122 -8.240 1.00 0.00 C ATOM 904 CD ARG B 5 16.109 2.110 -9.393 1.00 0.00 C ATOM 905 NE ARG B 5 16.996 2.514 -10.500 1.00 0.00 N ATOM 906 CZ ARG B 5 16.721 3.332 -11.498 1.00 0.00 C ATOM 907 NH1 ARG B 5 15.546 3.874 -11.654 1.00 0.00 N ATOM 908 NH2 ARG B 5 17.643 3.627 -12.369 1.00 0.00 N ATOM 0 H ARG B 5 14.496 4.533 -5.955 1.00 0.00 H new ATOM 0 HA ARG B 5 13.590 2.822 -7.997 1.00 0.00 H new ATOM 0 HB2 ARG B 5 15.924 3.044 -6.105 1.00 0.00 H new ATOM 0 HB3 ARG B 5 15.699 1.502 -6.907 1.00 0.00 H new ATOM 0 HG2 ARG B 5 15.687 4.051 -8.541 1.00 0.00 H new ATOM 0 HG3 ARG B 5 17.211 3.362 -8.018 1.00 0.00 H new ATOM 0 HD2 ARG B 5 16.399 1.123 -9.032 1.00 0.00 H new ATOM 0 HD3 ARG B 5 15.084 2.028 -9.755 1.00 0.00 H new ATOM 0 HE ARG B 5 17.934 2.113 -10.493 1.00 0.00 H new ATOM 0 HH11 ARG B 5 14.798 3.671 -10.991 1.00 0.00 H new ATOM 0 HH12 ARG B 5 15.374 4.502 -12.439 1.00 0.00 H new ATOM 0 HH21 ARG B 5 18.576 3.226 -12.279 1.00 0.00 H new ATOM 0 HH22 ARG B 5 17.432 4.259 -13.141 1.00 0.00 H new ATOM 922 N GLU B 6 13.433 1.553 -4.944 1.00 0.00 N ATOM 923 CA GLU B 6 12.722 0.622 -4.076 1.00 0.00 C ATOM 924 C GLU B 6 11.195 0.739 -4.152 1.00 0.00 C ATOM 925 O GLU B 6 10.516 -0.183 -3.705 1.00 0.00 O ATOM 926 CB GLU B 6 13.202 0.796 -2.623 1.00 0.00 C ATOM 927 CG GLU B 6 13.924 -0.454 -2.099 1.00 0.00 C ATOM 928 CD GLU B 6 13.370 -0.922 -0.738 1.00 0.00 C ATOM 929 OE1 GLU B 6 13.701 -0.306 0.304 1.00 0.00 O ATOM 930 OE2 GLU B 6 12.618 -1.927 -0.701 1.00 0.00 O ATOM 0 H GLU B 6 14.079 2.155 -4.434 1.00 0.00 H new ATOM 0 HA GLU B 6 12.960 -0.379 -4.437 1.00 0.00 H new ATOM 0 HB2 GLU B 6 13.873 1.653 -2.564 1.00 0.00 H new ATOM 0 HB3 GLU B 6 12.347 1.015 -1.983 1.00 0.00 H new ATOM 0 HG2 GLU B 6 13.824 -1.260 -2.826 1.00 0.00 H new ATOM 0 HG3 GLU B 6 14.989 -0.242 -2.002 1.00 0.00 H new ATOM 937 N LEU B 7 10.654 1.822 -4.732 1.00 0.00 N ATOM 938 CA LEU B 7 9.235 1.975 -5.009 1.00 0.00 C ATOM 939 C LEU B 7 8.878 1.604 -6.452 1.00 0.00 C ATOM 940 O LEU B 7 7.958 0.832 -6.671 1.00 0.00 O ATOM 941 CB LEU B 7 8.781 3.396 -4.676 1.00 0.00 C ATOM 942 CG LEU B 7 9.175 3.968 -3.305 1.00 0.00 C ATOM 943 CD1 LEU B 7 8.491 5.321 -3.088 1.00 0.00 C ATOM 944 CD2 LEU B 7 8.928 3.041 -2.116 1.00 0.00 C ATOM 0 H LEU B 7 11.210 2.626 -5.023 1.00 0.00 H new ATOM 0 HA LEU B 7 8.699 1.275 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU B 7 9.175 4.063 -5.443 1.00 0.00 H new ATOM 0 HB3 LEU B 7 7.694 3.428 -4.753 1.00 0.00 H new ATOM 0 HG LEU B 7 10.258 4.088 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU B 7 8.775 5.720 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU B 7 8.801 6.015 -3.869 1.00 0.00 H new ATOM 0 HD13 LEU B 7 7.409 5.192 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU B 7 9.239 3.537 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.867 2.800 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU B 7 9.502 2.123 -2.245 1.00 0.00 H new ATOM 956 N TYR B 8 9.622 2.069 -7.451 1.00 0.00 N ATOM 957 CA TYR B 8 9.479 1.681 -8.859 1.00 0.00 C ATOM 958 C TYR B 8 9.464 0.162 -9.065 1.00 0.00 C ATOM 959 O TYR B 8 8.525 -0.387 -9.644 1.00 0.00 O ATOM 960 CB TYR B 8 10.629 2.349 -9.629 1.00 0.00 C ATOM 961 CG TYR B 8 10.259 2.896 -10.992 1.00 0.00 C ATOM 962 CD1 TYR B 8 10.195 2.046 -12.114 1.00 0.00 C ATOM 963 CD2 TYR B 8 9.972 4.268 -11.136 1.00 0.00 C ATOM 964 CE1 TYR B 8 9.833 2.568 -13.373 1.00 0.00 C ATOM 965 CE2 TYR B 8 9.590 4.786 -12.385 1.00 0.00 C ATOM 966 CZ TYR B 8 9.523 3.938 -13.511 1.00 0.00 C ATOM 967 OH TYR B 8 9.167 4.437 -14.726 1.00 0.00 O ATOM 0 H TYR B 8 10.367 2.749 -7.302 1.00 0.00 H new ATOM 0 HA TYR B 8 8.513 2.018 -9.234 1.00 0.00 H new ATOM 0 HB2 TYR B 8 11.026 3.164 -9.023 1.00 0.00 H new ATOM 0 HB3 TYR B 8 11.433 1.623 -9.752 1.00 0.00 H new ATOM 0 HD1 TYR B 8 10.423 0.995 -12.010 1.00 0.00 H new ATOM 0 HD2 TYR B 8 10.046 4.925 -10.282 1.00 0.00 H new ATOM 0 HE1 TYR B 8 9.793 1.918 -14.234 1.00 0.00 H new ATOM 0 HE2 TYR B 8 9.347 5.834 -12.483 1.00 0.00 H new ATOM 0 HH TYR B 8 8.986 5.397 -14.645 1.00 0.00 H new ATOM 977 N LYS B 9 10.453 -0.521 -8.482 1.00 0.00 N ATOM 978 CA LYS B 9 10.574 -1.993 -8.436 1.00 0.00 C ATOM 979 C LYS B 9 9.651 -2.671 -7.408 1.00 0.00 C ATOM 980 O LYS B 9 9.851 -3.832 -7.058 1.00 0.00 O ATOM 981 CB LYS B 9 12.057 -2.359 -8.273 1.00 0.00 C ATOM 982 CG LYS B 9 12.563 -2.331 -6.821 1.00 0.00 C ATOM 983 CD LYS B 9 14.073 -2.076 -6.799 1.00 0.00 C ATOM 984 CE LYS B 9 14.694 -2.493 -5.460 1.00 0.00 C ATOM 985 NZ LYS B 9 15.527 -3.716 -5.613 1.00 0.00 N ATOM 0 H LYS B 9 11.225 -0.052 -8.009 1.00 0.00 H new ATOM 0 HA LYS B 9 10.213 -2.397 -9.382 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.220 -3.356 -8.682 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.656 -1.669 -8.867 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.046 -1.551 -6.262 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.338 -3.278 -6.330 1.00 0.00 H new ATOM 0 HD2 LYS B 9 14.548 -2.629 -7.609 1.00 0.00 H new ATOM 0 HD3 LYS B 9 14.267 -1.018 -6.978 1.00 0.00 H new ATOM 0 HE2 LYS B 9 15.306 -1.679 -5.070 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.905 -2.676 -4.731 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.935 -3.976 -4.692 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 14.936 -4.497 -5.963 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 16.293 -3.531 -6.291 1.00 0.00 H new ATOM 999 N LEU B 10 8.629 -1.954 -6.945 1.00 0.00 N ATOM 1000 CA LEU B 10 7.557 -2.398 -6.071 1.00 0.00 C ATOM 1001 C LEU B 10 6.201 -2.155 -6.775 1.00 0.00 C ATOM 1002 O LEU B 10 5.362 -3.051 -6.818 1.00 0.00 O ATOM 1003 CB LEU B 10 7.804 -1.670 -4.728 1.00 0.00 C ATOM 1004 CG LEU B 10 6.571 -1.081 -4.060 1.00 0.00 C ATOM 1005 CD1 LEU B 10 5.788 -2.171 -3.371 1.00 0.00 C ATOM 1006 CD2 LEU B 10 6.891 0.007 -3.039 1.00 0.00 C ATOM 0 H LEU B 10 8.526 -0.970 -7.194 1.00 0.00 H new ATOM 0 HA LEU B 10 7.533 -3.466 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU B 10 8.269 -2.372 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU B 10 8.521 -0.867 -4.898 1.00 0.00 H new ATOM 0 HG LEU B 10 5.989 -0.620 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU B 10 4.907 -1.741 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.478 -2.915 -4.104 1.00 0.00 H new ATOM 0 HD13 LEU B 10 6.413 -2.646 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU B 10 5.964 0.381 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU B 10 7.521 -0.407 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU B 10 7.416 0.825 -3.532 1.00 0.00 H new ATOM 1018 N GLU B 11 6.008 -0.990 -7.402 1.00 0.00 N ATOM 1019 CA GLU B 11 4.746 -0.575 -8.023 1.00 0.00 C ATOM 1020 C GLU B 11 4.567 -1.261 -9.389 1.00 0.00 C ATOM 1021 O GLU B 11 3.555 -1.924 -9.615 1.00 0.00 O ATOM 1022 CB GLU B 11 4.733 0.962 -8.161 1.00 0.00 C ATOM 1023 CG GLU B 11 4.868 1.756 -6.841 1.00 0.00 C ATOM 1024 CD GLU B 11 3.555 1.911 -6.079 1.00 0.00 C ATOM 1025 OE1 GLU B 11 2.760 1.001 -5.785 1.00 0.00 O ATOM 1026 OE2 GLU B 11 2.969 2.990 -5.873 1.00 0.00 O ATOM 0 H GLU B 11 6.745 -0.291 -7.494 1.00 0.00 H new ATOM 0 HA GLU B 11 3.909 -0.879 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU B 11 5.546 1.255 -8.825 1.00 0.00 H new ATOM 0 HB3 GLU B 11 3.803 1.257 -8.647 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.593 1.255 -6.199 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.268 2.746 -7.062 1.00 0.00 H new ATOM 1033 N GLN B 12 5.579 -1.205 -10.270 1.00 0.00 N ATOM 1034 CA GLN B 12 5.617 -1.961 -11.535 1.00 0.00 C ATOM 1035 C GLN B 12 5.772 -3.486 -11.311 1.00 0.00 C ATOM 1036 O GLN B 12 5.355 -4.298 -12.134 1.00 0.00 O ATOM 1037 CB GLN B 12 6.743 -1.393 -12.423 1.00 0.00 C ATOM 1038 CG GLN B 12 6.222 -0.688 -13.684 1.00 0.00 C ATOM 1039 CD GLN B 12 5.895 -1.612 -14.863 1.00 0.00 C ATOM 1040 OE1 GLN B 12 5.638 -2.800 -14.734 1.00 0.00 O ATOM 1041 NE2 GLN B 12 5.913 -1.106 -16.079 1.00 0.00 N ATOM 0 H GLN B 12 6.406 -0.626 -10.123 1.00 0.00 H new ATOM 0 HA GLN B 12 4.660 -1.838 -12.043 1.00 0.00 H new ATOM 0 HB2 GLN B 12 7.336 -0.689 -11.840 1.00 0.00 H new ATOM 0 HB3 GLN B 12 7.409 -2.204 -12.717 1.00 0.00 H new ATOM 0 HG2 GLN B 12 5.324 -0.128 -13.423 1.00 0.00 H new ATOM 0 HG3 GLN B 12 6.967 0.038 -14.009 1.00 0.00 H new ATOM 0 HE21 GLN B 12 6.124 -0.118 -16.217 1.00 0.00 H new ATOM 0 HE22 GLN B 12 5.716 -1.702 -16.883 1.00 0.00 H new ATOM 1050 N GLN B 13 6.328 -3.900 -10.168 1.00 0.00 N ATOM 1051 CA GLN B 13 6.442 -5.308 -9.770 1.00 0.00 C ATOM 1052 C GLN B 13 5.084 -5.900 -9.378 1.00 0.00 C ATOM 1053 O GLN B 13 4.708 -6.967 -9.864 1.00 0.00 O ATOM 1054 CB GLN B 13 7.460 -5.429 -8.637 1.00 0.00 C ATOM 1055 CG GLN B 13 8.661 -6.325 -8.979 1.00 0.00 C ATOM 1056 CD GLN B 13 8.415 -7.799 -8.654 1.00 0.00 C ATOM 1057 OE1 GLN B 13 8.179 -8.183 -7.515 1.00 0.00 O ATOM 1058 NE2 GLN B 13 8.474 -8.690 -9.621 1.00 0.00 N ATOM 0 H GLN B 13 6.719 -3.255 -9.481 1.00 0.00 H new ATOM 0 HA GLN B 13 6.792 -5.889 -10.624 1.00 0.00 H new ATOM 0 HB2 GLN B 13 7.822 -4.434 -8.378 1.00 0.00 H new ATOM 0 HB3 GLN B 13 6.961 -5.827 -7.753 1.00 0.00 H new ATOM 0 HG2 GLN B 13 8.892 -6.226 -10.040 1.00 0.00 H new ATOM 0 HG3 GLN B 13 9.535 -5.978 -8.429 1.00 0.00 H new ATOM 0 HE21 GLN B 13 8.669 -8.393 -10.577 1.00 0.00 H new ATOM 0 HE22 GLN B 13 8.325 -9.678 -9.414 1.00 0.00 H new ATOM 1067 N ALA B 14 4.308 -5.183 -8.561 1.00 0.00 N ATOM 1068 CA ALA B 14 2.933 -5.557 -8.261 1.00 0.00 C ATOM 1069 C ALA B 14 1.997 -5.415 -9.463 1.00 0.00 C ATOM 1070 O ALA B 14 1.092 -6.231 -9.623 1.00 0.00 O ATOM 1071 CB ALA B 14 2.439 -4.724 -7.091 1.00 0.00 C ATOM 0 H ALA B 14 4.618 -4.331 -8.093 1.00 0.00 H new ATOM 0 HA ALA B 14 2.924 -6.615 -8.000 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.410 -4.997 -6.859 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.069 -4.909 -6.221 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.484 -3.667 -7.353 1.00 0.00 H new ATOM 1077 N MET B 15 2.231 -4.430 -10.338 1.00 0.00 N ATOM 1078 CA MET B 15 1.475 -4.247 -11.581 1.00 0.00 C ATOM 1079 C MET B 15 1.395 -5.528 -12.418 1.00 0.00 C ATOM 1080 O MET B 15 0.319 -5.860 -12.913 1.00 0.00 O ATOM 1081 CB MET B 15 2.091 -3.101 -12.393 1.00 0.00 C ATOM 1082 CG MET B 15 1.310 -2.792 -13.677 1.00 0.00 C ATOM 1083 SD MET B 15 0.990 -1.033 -13.942 1.00 0.00 S ATOM 1084 CE MET B 15 -0.180 -0.794 -12.582 1.00 0.00 C ATOM 0 H MET B 15 2.960 -3.730 -10.200 1.00 0.00 H new ATOM 0 HA MET B 15 0.450 -3.994 -11.311 1.00 0.00 H new ATOM 0 HB2 MET B 15 2.132 -2.205 -11.774 1.00 0.00 H new ATOM 0 HB3 MET B 15 3.119 -3.357 -12.651 1.00 0.00 H new ATOM 0 HG2 MET B 15 1.866 -3.182 -14.530 1.00 0.00 H new ATOM 0 HG3 MET B 15 0.358 -3.323 -13.647 1.00 0.00 H new ATOM 0 HE1 MET B 15 -0.496 0.249 -12.553 1.00 0.00 H new ATOM 0 HE2 MET B 15 -1.050 -1.433 -12.734 1.00 0.00 H new ATOM 0 HE3 MET B 15 0.301 -1.054 -11.639 1.00 0.00 H new ATOM 1094 N LYS B 16 2.494 -6.289 -12.515 1.00 0.00 N ATOM 1095 CA LYS B 16 2.523 -7.611 -13.160 1.00 0.00 C ATOM 1096 C LYS B 16 1.516 -8.587 -12.549 1.00 0.00 C ATOM 1097 O LYS B 16 0.721 -9.168 -13.277 1.00 0.00 O ATOM 1098 CB LYS B 16 3.960 -8.158 -13.148 1.00 0.00 C ATOM 1099 CG LYS B 16 4.694 -7.703 -14.420 1.00 0.00 C ATOM 1100 CD LYS B 16 6.204 -7.553 -14.213 1.00 0.00 C ATOM 1101 CE LYS B 16 6.834 -6.970 -15.488 1.00 0.00 C ATOM 1102 NZ LYS B 16 7.989 -6.089 -15.178 1.00 0.00 N ATOM 0 H LYS B 16 3.399 -6.001 -12.144 1.00 0.00 H new ATOM 0 HA LYS B 16 2.208 -7.494 -14.197 1.00 0.00 H new ATOM 0 HB2 LYS B 16 4.488 -7.802 -12.264 1.00 0.00 H new ATOM 0 HB3 LYS B 16 3.945 -9.247 -13.094 1.00 0.00 H new ATOM 0 HG2 LYS B 16 4.511 -8.424 -15.217 1.00 0.00 H new ATOM 0 HG3 LYS B 16 4.281 -6.750 -14.751 1.00 0.00 H new ATOM 0 HD2 LYS B 16 6.403 -6.900 -13.363 1.00 0.00 H new ATOM 0 HD3 LYS B 16 6.649 -8.521 -13.983 1.00 0.00 H new ATOM 0 HE2 LYS B 16 7.160 -7.783 -16.137 1.00 0.00 H new ATOM 0 HE3 LYS B 16 6.083 -6.404 -16.039 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 8.387 -5.715 -16.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 7.673 -5.300 -14.580 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 8.717 -6.635 -14.674 1.00 0.00 H new ATOM 1116 N LEU B 17 1.464 -8.717 -11.225 1.00 0.00 N ATOM 1117 CA LEU B 17 0.541 -9.608 -10.527 1.00 0.00 C ATOM 1118 C LEU B 17 -0.909 -9.126 -10.684 1.00 0.00 C ATOM 1119 O LEU B 17 -1.813 -9.934 -10.898 1.00 0.00 O ATOM 1120 CB LEU B 17 0.929 -9.660 -9.042 1.00 0.00 C ATOM 1121 CG LEU B 17 2.399 -10.047 -8.805 1.00 0.00 C ATOM 1122 CD1 LEU B 17 2.910 -9.512 -7.467 1.00 0.00 C ATOM 1123 CD2 LEU B 17 2.632 -11.558 -8.867 1.00 0.00 C ATOM 0 H LEU B 17 2.074 -8.196 -10.596 1.00 0.00 H new ATOM 0 HA LEU B 17 0.608 -10.606 -10.961 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.741 -8.686 -8.591 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.286 -10.377 -8.532 1.00 0.00 H new ATOM 0 HG LEU B 17 2.959 -9.586 -9.618 1.00 0.00 H new ATOM 0 HD11 LEU B 17 3.952 -9.804 -7.332 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.834 -8.425 -7.457 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.310 -9.925 -6.657 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.687 -11.771 -8.693 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.031 -12.050 -8.103 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.344 -11.930 -9.850 1.00 0.00 H new ATOM 1135 N TYR B 18 -1.108 -7.803 -10.646 1.00 0.00 N ATOM 1136 CA TYR B 18 -2.394 -7.137 -10.838 1.00 0.00 C ATOM 1137 C TYR B 18 -3.013 -7.371 -12.224 1.00 0.00 C ATOM 1138 O TYR B 18 -4.237 -7.424 -12.336 1.00 0.00 O ATOM 1139 CB TYR B 18 -2.213 -5.628 -10.602 1.00 0.00 C ATOM 1140 CG TYR B 18 -2.394 -5.165 -9.172 1.00 0.00 C ATOM 1141 CD1 TYR B 18 -3.570 -5.510 -8.480 1.00 0.00 C ATOM 1142 CD2 TYR B 18 -1.422 -4.357 -8.548 1.00 0.00 C ATOM 1143 CE1 TYR B 18 -3.752 -5.101 -7.151 1.00 0.00 C ATOM 1144 CE2 TYR B 18 -1.602 -3.942 -7.214 1.00 0.00 C ATOM 1145 CZ TYR B 18 -2.761 -4.330 -6.510 1.00 0.00 C ATOM 1146 OH TYR B 18 -2.926 -3.960 -5.216 1.00 0.00 O ATOM 0 H TYR B 18 -0.347 -7.146 -10.474 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.088 -7.572 -10.118 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.215 -5.343 -10.934 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -2.923 -5.092 -11.232 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -4.334 -6.091 -8.974 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.539 -4.056 -9.093 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -4.651 -5.376 -6.619 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -0.855 -3.329 -6.732 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.780 -2.995 -5.131 1.00 0.00 H new ATOM 1156 N ARG B 19 -2.194 -7.531 -13.274 1.00 0.00 N ATOM 1157 CA ARG B 19 -2.671 -7.854 -14.631 1.00 0.00 C ATOM 1158 C ARG B 19 -2.790 -9.365 -14.868 1.00 0.00 C ATOM 1159 O ARG B 19 -3.572 -9.787 -15.717 1.00 0.00 O ATOM 1160 CB ARG B 19 -1.805 -7.159 -15.705 1.00 0.00 C ATOM 1161 CG ARG B 19 -0.350 -7.650 -15.746 1.00 0.00 C ATOM 1162 CD ARG B 19 0.406 -7.313 -17.041 1.00 0.00 C ATOM 1163 NE ARG B 19 0.982 -8.533 -17.646 1.00 0.00 N ATOM 1164 CZ ARG B 19 0.314 -9.527 -18.210 1.00 0.00 C ATOM 1165 NH1 ARG B 19 -0.972 -9.471 -18.416 1.00 0.00 N ATOM 1166 NH2 ARG B 19 0.927 -10.616 -18.570 1.00 0.00 N ATOM 0 H ARG B 19 -1.180 -7.440 -13.208 1.00 0.00 H new ATOM 0 HA ARG B 19 -3.683 -7.458 -14.720 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -2.259 -7.318 -16.683 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -1.810 -6.084 -15.522 1.00 0.00 H new ATOM 0 HG2 ARG B 19 0.189 -7.217 -14.904 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -0.342 -8.731 -15.608 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -0.271 -6.836 -17.749 1.00 0.00 H new ATOM 0 HD3 ARG B 19 1.200 -6.598 -16.828 1.00 0.00 H new ATOM 0 HE ARG B 19 1.998 -8.617 -17.627 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -1.497 -8.641 -18.140 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -1.453 -10.257 -18.853 1.00 0.00 H new ATOM 0 HH21 ARG B 19 1.931 -10.710 -18.419 1.00 0.00 H new ATOM 0 HH22 ARG B 19 0.403 -11.376 -19.004 1.00 0.00 H new ATOM 1180 N GLU B 20 -2.030 -10.177 -14.129 1.00 0.00 N ATOM 1181 CA GLU B 20 -1.976 -11.637 -14.290 1.00 0.00 C ATOM 1182 C GLU B 20 -3.179 -12.318 -13.630 1.00 0.00 C ATOM 1183 O GLU B 20 -4.016 -12.936 -14.293 1.00 0.00 O ATOM 1184 CB GLU B 20 -0.658 -12.144 -13.673 1.00 0.00 C ATOM 1185 CG GLU B 20 -0.210 -13.510 -14.210 1.00 0.00 C ATOM 1186 CD GLU B 20 1.298 -13.509 -14.539 1.00 0.00 C ATOM 1187 OE1 GLU B 20 1.689 -12.962 -15.600 1.00 0.00 O ATOM 1188 OE2 GLU B 20 2.101 -14.065 -13.750 1.00 0.00 O ATOM 0 H GLU B 20 -1.421 -9.833 -13.386 1.00 0.00 H new ATOM 0 HA GLU B 20 -2.013 -11.885 -15.351 1.00 0.00 H new ATOM 0 HB2 GLU B 20 0.127 -11.413 -13.865 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -0.775 -12.210 -12.591 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -0.424 -14.283 -13.472 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -0.781 -13.758 -15.105 1.00 0.00 H new ATOM 1195 N ALA B 21 -3.307 -12.129 -12.318 1.00 0.00 N ATOM 1196 CA ALA B 21 -4.433 -12.586 -11.507 1.00 0.00 C ATOM 1197 C ALA B 21 -5.595 -11.572 -11.551 1.00 0.00 C ATOM 1198 O ALA B 21 -5.977 -10.980 -10.543 1.00 0.00 O ATOM 1199 CB ALA B 21 -3.930 -12.902 -10.099 1.00 0.00 C ATOM 0 H ALA B 21 -2.603 -11.635 -11.770 1.00 0.00 H new ATOM 0 HA ALA B 21 -4.851 -13.507 -11.914 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -4.762 -13.244 -9.484 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -3.171 -13.683 -10.150 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -3.497 -12.004 -9.657 1.00 0.00 H new ATOM 1205 N SER B 22 -6.153 -11.375 -12.749 1.00 0.00 N ATOM 1206 CA SER B 22 -7.284 -10.469 -13.009 1.00 0.00 C ATOM 1207 C SER B 22 -8.434 -11.209 -13.689 1.00 0.00 C ATOM 1208 O SER B 22 -9.561 -11.221 -13.193 1.00 0.00 O ATOM 1209 CB SER B 22 -6.810 -9.309 -13.890 1.00 0.00 C ATOM 1210 OG SER B 22 -7.733 -8.236 -13.836 1.00 0.00 O ATOM 0 H SER B 22 -5.825 -11.852 -13.589 1.00 0.00 H new ATOM 0 HA SER B 22 -7.650 -10.083 -12.058 1.00 0.00 H new ATOM 0 HB2 SER B 22 -5.829 -8.970 -13.558 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.698 -9.649 -14.920 1.00 0.00 H new ATOM 0 HG SER B 22 -7.415 -7.502 -14.403 1.00 0.00 H new ATOM 1216 N GLU B 23 -8.122 -11.930 -14.768 1.00 0.00 N ATOM 1217 CA GLU B 23 -9.062 -12.788 -15.506 1.00 0.00 C ATOM 1218 C GLU B 23 -9.505 -14.014 -14.681 1.00 0.00 C ATOM 1219 O GLU B 23 -10.648 -14.464 -14.791 1.00 0.00 O ATOM 1220 CB GLU B 23 -8.386 -13.234 -16.815 1.00 0.00 C ATOM 1221 CG GLU B 23 -8.222 -12.077 -17.822 1.00 0.00 C ATOM 1222 CD GLU B 23 -6.876 -12.123 -18.576 1.00 0.00 C ATOM 1223 OE1 GLU B 23 -6.493 -13.195 -19.107 1.00 0.00 O ATOM 1224 OE2 GLU B 23 -6.197 -11.071 -18.666 1.00 0.00 O ATOM 0 H GLU B 23 -7.183 -11.936 -15.167 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.965 -12.216 -15.718 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.407 -13.655 -16.589 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -8.976 -14.028 -17.272 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -9.038 -12.112 -18.544 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -8.304 -11.127 -17.293 1.00 0.00 H new ATOM 1231 N ARG B 24 -8.614 -14.527 -13.815 1.00 0.00 N ATOM 1232 CA ARG B 24 -8.890 -15.598 -12.838 1.00 0.00 C ATOM 1233 C ARG B 24 -9.787 -15.144 -11.682 1.00 0.00 C ATOM 1234 O ARG B 24 -10.687 -15.882 -11.282 1.00 0.00 O ATOM 1235 CB ARG B 24 -7.550 -16.142 -12.294 1.00 0.00 C ATOM 1236 CG ARG B 24 -7.171 -17.497 -12.909 1.00 0.00 C ATOM 1237 CD ARG B 24 -7.972 -18.671 -12.307 1.00 0.00 C ATOM 1238 NE ARG B 24 -8.902 -19.307 -13.265 1.00 0.00 N ATOM 1239 CZ ARG B 24 -8.588 -20.043 -14.320 1.00 0.00 C ATOM 1240 NH1 ARG B 24 -7.355 -20.224 -14.704 1.00 0.00 N ATOM 1241 NH2 ARG B 24 -9.521 -20.623 -15.019 1.00 0.00 N ATOM 0 H ARG B 24 -7.650 -14.198 -13.773 1.00 0.00 H new ATOM 0 HA ARG B 24 -9.439 -16.383 -13.359 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -6.759 -15.420 -12.498 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -7.616 -16.244 -11.211 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -7.339 -17.462 -13.985 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -6.106 -17.674 -12.758 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -7.275 -19.423 -11.936 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -8.539 -18.311 -11.448 1.00 0.00 H new ATOM 0 HE ARG B 24 -9.897 -19.162 -13.094 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -6.591 -19.791 -14.186 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -7.155 -20.799 -15.523 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -10.500 -20.512 -14.755 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -9.273 -21.189 -15.831 1.00 0.00 H new ATOM 1255 N VAL B 25 -9.539 -13.947 -11.141 1.00 0.00 N ATOM 1256 CA VAL B 25 -10.287 -13.384 -9.999 1.00 0.00 C ATOM 1257 C VAL B 25 -11.678 -12.889 -10.418 1.00 0.00 C ATOM 1258 O VAL B 25 -12.668 -13.234 -9.770 1.00 0.00 O ATOM 1259 CB VAL B 25 -9.465 -12.270 -9.325 1.00 0.00 C ATOM 1260 CG1 VAL B 25 -10.282 -11.426 -8.344 1.00 0.00 C ATOM 1261 CG2 VAL B 25 -8.266 -12.860 -8.564 1.00 0.00 C ATOM 0 H VAL B 25 -8.804 -13.329 -11.485 1.00 0.00 H new ATOM 0 HA VAL B 25 -10.447 -14.179 -9.271 1.00 0.00 H new ATOM 0 HB VAL B 25 -9.130 -11.624 -10.137 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -9.644 -10.660 -7.904 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -11.108 -10.951 -8.873 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -10.677 -12.066 -7.555 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -7.700 -12.055 -8.096 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -8.624 -13.546 -7.796 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -7.623 -13.399 -9.260 1.00 0.00 H new ATOM 1271 N GLY B 26 -11.774 -12.128 -11.514 1.00 0.00 N ATOM 1272 CA GLY B 26 -13.046 -11.620 -12.038 1.00 0.00 C ATOM 1273 C GLY B 26 -13.676 -10.491 -11.203 1.00 0.00 C ATOM 1274 O GLY B 26 -14.890 -10.496 -10.991 1.00 0.00 O ATOM 0 H GLY B 26 -10.964 -11.845 -12.066 1.00 0.00 H new ATOM 0 HA2 GLY B 26 -12.887 -11.258 -13.054 1.00 0.00 H new ATOM 0 HA3 GLY B 26 -13.754 -12.446 -12.101 1.00 0.00 H new ATOM 1278 N ASP B 27 -12.875 -9.528 -10.728 1.00 0.00 N ATOM 1279 CA ASP B 27 -13.344 -8.366 -9.950 1.00 0.00 C ATOM 1280 C ASP B 27 -13.265 -7.061 -10.775 1.00 0.00 C ATOM 1281 O ASP B 27 -12.255 -6.821 -11.445 1.00 0.00 O ATOM 1282 CB ASP B 27 -12.541 -8.221 -8.645 1.00 0.00 C ATOM 1283 CG ASP B 27 -13.241 -8.909 -7.461 1.00 0.00 C ATOM 1284 OD1 ASP B 27 -13.304 -10.159 -7.419 1.00 0.00 O ATOM 1285 OD2 ASP B 27 -13.753 -8.186 -6.574 1.00 0.00 O ATOM 0 H ASP B 27 -11.866 -9.532 -10.874 1.00 0.00 H new ATOM 0 HA ASP B 27 -14.390 -8.543 -9.700 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -11.549 -8.651 -8.780 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -12.402 -7.164 -8.420 1.00 0.00 H new ATOM 1290 N PRO B 28 -14.291 -6.183 -10.722 1.00 0.00 N ATOM 1291 CA PRO B 28 -14.340 -4.965 -11.534 1.00 0.00 C ATOM 1292 C PRO B 28 -13.404 -3.874 -10.997 1.00 0.00 C ATOM 1293 O PRO B 28 -12.680 -3.231 -11.757 1.00 0.00 O ATOM 1294 CB PRO B 28 -15.808 -4.520 -11.488 1.00 0.00 C ATOM 1295 CG PRO B 28 -16.323 -5.052 -10.149 1.00 0.00 C ATOM 1296 CD PRO B 28 -15.499 -6.318 -9.917 1.00 0.00 C ATOM 0 HA PRO B 28 -13.999 -5.150 -12.553 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -15.897 -3.435 -11.546 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -16.375 -4.931 -12.324 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -16.177 -4.327 -9.348 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -17.390 -5.271 -10.190 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -15.251 -6.430 -8.862 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -16.061 -7.205 -10.208 1.00 0.00 H new ATOM 1304 N VAL B 29 -13.372 -3.698 -9.672 1.00 0.00 N ATOM 1305 CA VAL B 29 -12.476 -2.758 -8.985 1.00 0.00 C ATOM 1306 C VAL B 29 -10.996 -3.117 -9.147 1.00 0.00 C ATOM 1307 O VAL B 29 -10.149 -2.234 -9.114 1.00 0.00 O ATOM 1308 CB VAL B 29 -12.893 -2.615 -7.511 1.00 0.00 C ATOM 1309 CG1 VAL B 29 -12.749 -3.911 -6.699 1.00 0.00 C ATOM 1310 CG2 VAL B 29 -12.126 -1.499 -6.811 1.00 0.00 C ATOM 0 H VAL B 29 -13.978 -4.213 -9.034 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.582 -1.785 -9.464 1.00 0.00 H new ATOM 0 HB VAL B 29 -13.953 -2.365 -7.547 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -13.061 -3.732 -5.670 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -13.375 -4.687 -7.139 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.708 -4.234 -6.711 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -12.450 -1.431 -5.772 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -11.058 -1.715 -6.845 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -12.321 -0.552 -7.315 1.00 0.00 H new ATOM 1320 N LEU B 30 -10.656 -4.380 -9.416 1.00 0.00 N ATOM 1321 CA LEU B 30 -9.295 -4.817 -9.742 1.00 0.00 C ATOM 1322 C LEU B 30 -8.745 -4.115 -11.002 1.00 0.00 C ATOM 1323 O LEU B 30 -7.614 -3.621 -11.004 1.00 0.00 O ATOM 1324 CB LEU B 30 -9.343 -6.346 -9.878 1.00 0.00 C ATOM 1325 CG LEU B 30 -8.061 -7.068 -9.452 1.00 0.00 C ATOM 1326 CD1 LEU B 30 -8.359 -8.564 -9.434 1.00 0.00 C ATOM 1327 CD2 LEU B 30 -6.874 -6.783 -10.368 1.00 0.00 C ATOM 0 H LEU B 30 -11.332 -5.143 -9.413 1.00 0.00 H new ATOM 0 HA LEU B 30 -8.597 -4.536 -8.953 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -10.172 -6.724 -9.280 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -9.558 -6.598 -10.917 1.00 0.00 H new ATOM 0 HG LEU B 30 -7.772 -6.701 -8.467 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -7.464 -9.110 -9.134 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -9.162 -8.766 -8.726 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -8.664 -8.886 -10.430 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -5.999 -7.325 -10.009 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -7.111 -7.106 -11.382 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -6.663 -5.714 -10.368 1.00 0.00 H new ATOM 1339 N ALA B 31 -9.576 -3.967 -12.039 1.00 0.00 N ATOM 1340 CA ALA B 31 -9.237 -3.204 -13.243 1.00 0.00 C ATOM 1341 C ALA B 31 -9.028 -1.694 -12.965 1.00 0.00 C ATOM 1342 O ALA B 31 -8.228 -1.045 -13.642 1.00 0.00 O ATOM 1343 CB ALA B 31 -10.326 -3.454 -14.294 1.00 0.00 C ATOM 0 H ALA B 31 -10.510 -4.377 -12.066 1.00 0.00 H new ATOM 0 HA ALA B 31 -8.275 -3.551 -13.620 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -10.093 -2.894 -15.200 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -10.370 -4.518 -14.526 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -11.290 -3.127 -13.904 1.00 0.00 H new ATOM 1349 N LYS B 32 -9.692 -1.139 -11.938 1.00 0.00 N ATOM 1350 CA LYS B 32 -9.480 0.227 -11.424 1.00 0.00 C ATOM 1351 C LYS B 32 -8.239 0.339 -10.521 1.00 0.00 C ATOM 1352 O LYS B 32 -7.538 1.348 -10.549 1.00 0.00 O ATOM 1353 CB LYS B 32 -10.748 0.664 -10.670 1.00 0.00 C ATOM 1354 CG LYS B 32 -10.717 2.137 -10.240 1.00 0.00 C ATOM 1355 CD LYS B 32 -11.817 2.413 -9.212 1.00 0.00 C ATOM 1356 CE LYS B 32 -11.652 3.829 -8.644 1.00 0.00 C ATOM 1357 NZ LYS B 32 -12.965 4.477 -8.386 1.00 0.00 N ATOM 0 H LYS B 32 -10.415 -1.644 -11.425 1.00 0.00 H new ATOM 0 HA LYS B 32 -9.293 0.888 -12.270 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -11.617 0.496 -11.306 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -10.873 0.037 -9.787 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -9.743 2.378 -9.814 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -10.853 2.780 -11.110 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -12.797 2.310 -9.678 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -11.768 1.680 -8.407 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -11.080 3.784 -7.717 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -11.078 4.437 -9.344 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -12.812 5.432 -8.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -13.500 4.543 -9.275 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -13.503 3.911 -7.699 1.00 0.00 H new ATOM 1371 N ILE B 33 -7.928 -0.696 -9.745 1.00 0.00 N ATOM 1372 CA ILE B 33 -6.754 -0.749 -8.861 1.00 0.00 C ATOM 1373 C ILE B 33 -5.452 -0.637 -9.661 1.00 0.00 C ATOM 1374 O ILE B 33 -4.591 0.172 -9.309 1.00 0.00 O ATOM 1375 CB ILE B 33 -6.808 -1.998 -7.961 1.00 0.00 C ATOM 1376 CG1 ILE B 33 -7.804 -1.740 -6.812 1.00 0.00 C ATOM 1377 CG2 ILE B 33 -5.428 -2.339 -7.375 1.00 0.00 C ATOM 1378 CD1 ILE B 33 -8.384 -3.032 -6.243 1.00 0.00 C ATOM 0 H ILE B 33 -8.495 -1.543 -9.708 1.00 0.00 H new ATOM 0 HA ILE B 33 -6.774 0.115 -8.197 1.00 0.00 H new ATOM 0 HB ILE B 33 -7.129 -2.845 -8.568 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -7.302 -1.189 -6.017 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -8.616 -1.109 -7.173 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -5.509 -3.226 -6.746 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.726 -2.532 -8.186 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -5.070 -1.501 -6.777 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -9.079 -2.795 -5.437 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -8.911 -3.572 -7.030 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -7.577 -3.653 -5.855 1.00 0.00 H new ATOM 1390 N LEU B 34 -5.333 -1.379 -10.768 1.00 0.00 N ATOM 1391 CA LEU B 34 -4.185 -1.270 -11.681 1.00 0.00 C ATOM 1392 C LEU B 34 -4.069 0.149 -12.295 1.00 0.00 C ATOM 1393 O LEU B 34 -2.969 0.642 -12.525 1.00 0.00 O ATOM 1394 CB LEU B 34 -4.227 -2.437 -12.703 1.00 0.00 C ATOM 1395 CG LEU B 34 -4.825 -2.107 -14.085 1.00 0.00 C ATOM 1396 CD1 LEU B 34 -3.811 -1.420 -15.014 1.00 0.00 C ATOM 1397 CD2 LEU B 34 -5.337 -3.370 -14.782 1.00 0.00 C ATOM 0 H LEU B 34 -6.026 -2.070 -11.057 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.252 -1.383 -11.129 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.211 -2.803 -12.848 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.801 -3.254 -12.267 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.651 -1.421 -13.896 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.282 -1.209 -15.974 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.477 -0.487 -14.561 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -2.954 -2.077 -15.167 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.753 -3.106 -15.754 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.513 -4.070 -14.918 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.110 -3.835 -14.171 1.00 0.00 H new ATOM 1409 N GLU B 35 -5.193 0.840 -12.504 1.00 0.00 N ATOM 1410 CA GLU B 35 -5.269 2.220 -12.995 1.00 0.00 C ATOM 1411 C GLU B 35 -4.808 3.252 -11.953 1.00 0.00 C ATOM 1412 O GLU B 35 -4.080 4.188 -12.274 1.00 0.00 O ATOM 1413 CB GLU B 35 -6.730 2.483 -13.401 1.00 0.00 C ATOM 1414 CG GLU B 35 -6.952 2.510 -14.913 1.00 0.00 C ATOM 1415 CD GLU B 35 -7.197 3.940 -15.431 1.00 0.00 C ATOM 1416 OE1 GLU B 35 -6.244 4.756 -15.450 1.00 0.00 O ATOM 1417 OE2 GLU B 35 -8.345 4.258 -15.831 1.00 0.00 O ATOM 0 H GLU B 35 -6.113 0.437 -12.329 1.00 0.00 H new ATOM 0 HA GLU B 35 -4.593 2.332 -13.842 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -7.364 1.712 -12.963 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -7.049 3.436 -12.979 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -6.083 2.086 -15.415 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -7.805 1.881 -15.166 1.00 0.00 H new ATOM 1424 N ASP B 36 -5.169 3.077 -10.683 1.00 0.00 N ATOM 1425 CA ASP B 36 -4.642 3.870 -9.576 1.00 0.00 C ATOM 1426 C ASP B 36 -3.131 3.634 -9.357 1.00 0.00 C ATOM 1427 O ASP B 36 -2.401 4.580 -9.058 1.00 0.00 O ATOM 1428 CB ASP B 36 -5.447 3.521 -8.323 1.00 0.00 C ATOM 1429 CG ASP B 36 -6.819 4.218 -8.197 1.00 0.00 C ATOM 1430 OD1 ASP B 36 -7.143 5.140 -8.986 1.00 0.00 O ATOM 1431 OD2 ASP B 36 -7.589 3.821 -7.291 1.00 0.00 O ATOM 0 H ASP B 36 -5.845 2.371 -10.391 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.746 4.930 -9.809 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.604 2.443 -8.302 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -4.849 3.773 -7.447 1.00 0.00 H new ATOM 1436 N GLU B 37 -2.623 2.410 -9.575 1.00 0.00 N ATOM 1437 CA GLU B 37 -1.171 2.152 -9.625 1.00 0.00 C ATOM 1438 C GLU B 37 -0.457 2.805 -10.845 1.00 0.00 C ATOM 1439 O GLU B 37 0.774 2.811 -10.892 1.00 0.00 O ATOM 1440 CB GLU B 37 -0.831 0.645 -9.541 1.00 0.00 C ATOM 1441 CG GLU B 37 -1.034 -0.092 -8.200 1.00 0.00 C ATOM 1442 CD GLU B 37 -0.313 0.493 -6.972 1.00 0.00 C ATOM 1443 OE1 GLU B 37 0.482 1.457 -7.033 1.00 0.00 O ATOM 1444 OE2 GLU B 37 -0.575 0.088 -5.811 1.00 0.00 O ATOM 0 H GLU B 37 -3.197 1.580 -9.720 1.00 0.00 H new ATOM 0 HA GLU B 37 -0.779 2.640 -8.733 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -1.428 0.130 -10.294 1.00 0.00 H new ATOM 0 HB3 GLU B 37 0.214 0.527 -9.827 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.102 -0.120 -7.986 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -0.707 -1.124 -8.326 1.00 0.00 H new ATOM 1451 N GLU B 38 -1.170 3.391 -11.818 1.00 0.00 N ATOM 1452 CA GLU B 38 -0.563 4.125 -12.951 1.00 0.00 C ATOM 1453 C GLU B 38 -0.051 5.516 -12.537 1.00 0.00 C ATOM 1454 O GLU B 38 1.115 5.860 -12.754 1.00 0.00 O ATOM 1455 CB GLU B 38 -1.587 4.252 -14.094 1.00 0.00 C ATOM 1456 CG GLU B 38 -0.967 4.566 -15.467 1.00 0.00 C ATOM 1457 CD GLU B 38 -1.157 6.036 -15.905 1.00 0.00 C ATOM 1458 OE1 GLU B 38 -0.877 6.966 -15.114 1.00 0.00 O ATOM 1459 OE2 GLU B 38 -1.581 6.269 -17.065 1.00 0.00 O ATOM 0 H GLU B 38 -2.189 3.372 -11.846 1.00 0.00 H new ATOM 0 HA GLU B 38 0.301 3.554 -13.291 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -2.150 3.322 -14.167 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -2.300 5.037 -13.842 1.00 0.00 H new ATOM 0 HG2 GLU B 38 0.099 4.339 -15.437 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -1.412 3.911 -16.216 1.00 0.00 H new ATOM 1466 N LYS B 39 -0.890 6.302 -11.848 1.00 0.00 N ATOM 1467 CA LYS B 39 -0.481 7.608 -11.287 1.00 0.00 C ATOM 1468 C LYS B 39 0.728 7.466 -10.351 1.00 0.00 C ATOM 1469 O LYS B 39 1.649 8.283 -10.359 1.00 0.00 O ATOM 1470 CB LYS B 39 -1.662 8.277 -10.564 1.00 0.00 C ATOM 1471 CG LYS B 39 -2.621 9.061 -11.475 1.00 0.00 C ATOM 1472 CD LYS B 39 -3.517 8.181 -12.362 1.00 0.00 C ATOM 1473 CE LYS B 39 -4.831 8.906 -12.698 1.00 0.00 C ATOM 1474 NZ LYS B 39 -5.985 8.341 -11.946 1.00 0.00 N ATOM 0 H LYS B 39 -1.863 6.059 -11.662 1.00 0.00 H new ATOM 0 HA LYS B 39 -0.177 8.247 -12.116 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -2.230 7.509 -10.039 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -1.268 8.955 -9.807 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -3.255 9.695 -10.855 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -2.036 9.723 -12.114 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -2.990 7.928 -13.282 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -3.734 7.243 -11.851 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -4.730 9.966 -12.466 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -5.023 8.831 -13.768 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -6.851 8.857 -12.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -6.097 7.336 -12.187 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -5.813 8.435 -10.925 1.00 0.00 H new ATOM 1488 N HIS B 40 0.759 6.357 -9.615 1.00 0.00 N ATOM 1489 CA HIS B 40 1.822 5.897 -8.713 1.00 0.00 C ATOM 1490 C HIS B 40 3.182 5.556 -9.341 1.00 0.00 C ATOM 1491 O HIS B 40 4.108 5.255 -8.588 1.00 0.00 O ATOM 1492 CB HIS B 40 1.290 4.644 -8.022 1.00 0.00 C ATOM 1493 CG HIS B 40 0.426 4.887 -6.820 1.00 0.00 C ATOM 1494 ND1 HIS B 40 0.040 3.898 -5.905 1.00 0.00 N ATOM 1495 CD2 HIS B 40 -0.184 6.062 -6.505 1.00 0.00 C ATOM 1496 CE1 HIS B 40 -0.853 4.515 -5.100 1.00 0.00 C ATOM 1497 NE2 HIS B 40 -0.946 5.810 -5.400 1.00 0.00 N ATOM 0 H HIS B 40 -0.021 5.700 -9.633 1.00 0.00 H new ATOM 0 HA HIS B 40 2.038 6.738 -8.055 1.00 0.00 H new ATOM 0 HB2 HIS B 40 0.719 4.065 -8.747 1.00 0.00 H new ATOM 0 HB3 HIS B 40 2.138 4.029 -7.720 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -0.085 7.004 -7.024 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -1.415 4.025 -4.319 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -1.496 6.500 -4.888 1.00 0.00 H new ATOM 1505 N ILE B 41 3.336 5.600 -10.666 1.00 0.00 N ATOM 1506 CA ILE B 41 4.619 5.372 -11.351 1.00 0.00 C ATOM 1507 C ILE B 41 5.032 6.594 -12.190 1.00 0.00 C ATOM 1508 O ILE B 41 6.218 6.915 -12.265 1.00 0.00 O ATOM 1509 CB ILE B 41 4.593 4.038 -12.140 1.00 0.00 C ATOM 1510 CG1 ILE B 41 6.021 3.538 -12.462 1.00 0.00 C ATOM 1511 CG2 ILE B 41 3.745 4.064 -13.421 1.00 0.00 C ATOM 1512 CD1 ILE B 41 6.430 2.389 -11.535 1.00 0.00 C ATOM 0 H ILE B 41 2.566 5.797 -11.305 1.00 0.00 H new ATOM 0 HA ILE B 41 5.405 5.260 -10.604 1.00 0.00 H new ATOM 0 HB ILE B 41 4.102 3.336 -11.466 1.00 0.00 H new ATOM 0 HG12 ILE B 41 6.067 3.206 -13.499 1.00 0.00 H new ATOM 0 HG13 ILE B 41 6.729 4.361 -12.359 1.00 0.00 H new ATOM 0 HG21 ILE B 41 3.787 3.088 -13.905 1.00 0.00 H new ATOM 0 HG22 ILE B 41 2.711 4.300 -13.168 1.00 0.00 H new ATOM 0 HG23 ILE B 41 4.134 4.823 -14.100 1.00 0.00 H new ATOM 0 HD11 ILE B 41 7.438 2.060 -11.787 1.00 0.00 H new ATOM 0 HD12 ILE B 41 6.407 2.731 -10.500 1.00 0.00 H new ATOM 0 HD13 ILE B 41 5.736 1.558 -11.658 1.00 0.00 H new ATOM 1524 N GLU B 42 4.068 7.352 -12.730 1.00 0.00 N ATOM 1525 CA GLU B 42 4.339 8.632 -13.401 1.00 0.00 C ATOM 1526 C GLU B 42 4.862 9.687 -12.409 1.00 0.00 C ATOM 1527 O GLU B 42 5.919 10.290 -12.622 1.00 0.00 O ATOM 1528 CB GLU B 42 3.064 9.135 -14.103 1.00 0.00 C ATOM 1529 CG GLU B 42 3.396 10.268 -15.087 1.00 0.00 C ATOM 1530 CD GLU B 42 2.142 10.918 -15.710 1.00 0.00 C ATOM 1531 OE1 GLU B 42 1.245 10.196 -16.209 1.00 0.00 O ATOM 1532 OE2 GLU B 42 2.064 12.170 -15.743 1.00 0.00 O ATOM 0 H GLU B 42 3.081 7.097 -12.714 1.00 0.00 H new ATOM 0 HA GLU B 42 5.117 8.469 -14.147 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.588 8.312 -14.636 1.00 0.00 H new ATOM 0 HB3 GLU B 42 2.350 9.490 -13.360 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.975 11.033 -14.569 1.00 0.00 H new ATOM 0 HG3 GLU B 42 4.028 9.875 -15.884 1.00 0.00 H new ATOM 1539 N TRP B 43 4.155 9.870 -11.288 1.00 0.00 N ATOM 1540 CA TRP B 43 4.579 10.766 -10.210 1.00 0.00 C ATOM 1541 C TRP B 43 5.839 10.271 -9.493 1.00 0.00 C ATOM 1542 O TRP B 43 6.608 11.080 -8.984 1.00 0.00 O ATOM 1543 CB TRP B 43 3.435 10.934 -9.211 1.00 0.00 C ATOM 1544 CG TRP B 43 2.170 11.547 -9.741 1.00 0.00 C ATOM 1545 CD1 TRP B 43 2.070 12.443 -10.751 1.00 0.00 C ATOM 1546 CD2 TRP B 43 0.807 11.358 -9.247 1.00 0.00 C ATOM 1547 NE1 TRP B 43 0.745 12.790 -10.933 1.00 0.00 N ATOM 1548 CE2 TRP B 43 -0.069 12.195 -9.998 1.00 0.00 C ATOM 1549 CE3 TRP B 43 0.230 10.603 -8.205 1.00 0.00 C ATOM 1550 CZ2 TRP B 43 -1.441 12.290 -9.724 1.00 0.00 C ATOM 1551 CZ3 TRP B 43 -1.142 10.703 -7.902 1.00 0.00 C ATOM 1552 CH2 TRP B 43 -1.978 11.542 -8.662 1.00 0.00 C ATOM 0 H TRP B 43 3.270 9.398 -11.104 1.00 0.00 H new ATOM 0 HA TRP B 43 4.830 11.727 -10.659 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.194 9.954 -8.800 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.791 11.548 -8.384 1.00 0.00 H new ATOM 0 HD1 TRP B 43 2.899 12.828 -11.326 1.00 0.00 H new ATOM 0 HE1 TRP B 43 0.412 13.411 -11.670 1.00 0.00 H new ATOM 0 HE3 TRP B 43 0.852 9.935 -7.628 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -2.076 12.929 -10.320 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -1.554 10.133 -7.083 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -3.030 11.611 -8.430 1.00 0.00 H new ATOM 1563 N LEU B 44 6.074 8.955 -9.481 1.00 0.00 N ATOM 1564 CA LEU B 44 7.254 8.327 -8.884 1.00 0.00 C ATOM 1565 C LEU B 44 8.569 8.809 -9.511 1.00 0.00 C ATOM 1566 O LEU B 44 9.446 9.314 -8.819 1.00 0.00 O ATOM 1567 CB LEU B 44 7.119 6.812 -9.067 1.00 0.00 C ATOM 1568 CG LEU B 44 7.733 5.959 -7.960 1.00 0.00 C ATOM 1569 CD1 LEU B 44 7.819 4.509 -8.392 1.00 0.00 C ATOM 1570 CD2 LEU B 44 9.091 6.432 -7.458 1.00 0.00 C ATOM 0 H LEU B 44 5.431 8.281 -9.897 1.00 0.00 H new ATOM 0 HA LEU B 44 7.296 8.604 -7.831 1.00 0.00 H new ATOM 0 HB2 LEU B 44 6.060 6.566 -9.146 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.582 6.535 -10.014 1.00 0.00 H new ATOM 0 HG LEU B 44 7.054 6.068 -7.114 1.00 0.00 H new ATOM 0 HD11 LEU B 44 8.259 3.916 -7.590 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.819 4.135 -8.613 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.441 4.431 -9.284 1.00 0.00 H new ATOM 0 HD21 LEU B 44 9.443 5.762 -6.674 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.804 6.432 -8.282 1.00 0.00 H new ATOM 0 HD23 LEU B 44 8.999 7.442 -7.058 1.00 0.00 H new ATOM 1582 N GLU B 45 8.709 8.690 -10.830 1.00 0.00 N ATOM 1583 CA GLU B 45 9.891 9.220 -11.533 1.00 0.00 C ATOM 1584 C GLU B 45 10.001 10.747 -11.375 1.00 0.00 C ATOM 1585 O GLU B 45 11.077 11.287 -11.125 1.00 0.00 O ATOM 1586 CB GLU B 45 9.850 8.870 -13.025 1.00 0.00 C ATOM 1587 CG GLU B 45 11.260 8.955 -13.643 1.00 0.00 C ATOM 1588 CD GLU B 45 11.250 9.521 -15.077 1.00 0.00 C ATOM 1589 OE1 GLU B 45 10.905 10.714 -15.260 1.00 0.00 O ATOM 1590 OE2 GLU B 45 11.623 8.790 -16.027 1.00 0.00 O ATOM 0 H GLU B 45 8.027 8.235 -11.437 1.00 0.00 H new ATOM 0 HA GLU B 45 10.765 8.753 -11.079 1.00 0.00 H new ATOM 0 HB2 GLU B 45 9.450 7.865 -13.157 1.00 0.00 H new ATOM 0 HB3 GLU B 45 9.178 9.552 -13.545 1.00 0.00 H new ATOM 0 HG2 GLU B 45 11.890 9.583 -13.014 1.00 0.00 H new ATOM 0 HG3 GLU B 45 11.708 7.961 -13.652 1.00 0.00 H new ATOM 1597 N THR B 46 8.863 11.443 -11.441 1.00 0.00 N ATOM 1598 CA THR B 46 8.756 12.887 -11.162 1.00 0.00 C ATOM 1599 C THR B 46 9.207 13.261 -9.733 1.00 0.00 C ATOM 1600 O THR B 46 9.628 14.396 -9.502 1.00 0.00 O ATOM 1601 CB THR B 46 7.327 13.364 -11.479 1.00 0.00 C ATOM 1602 OG1 THR B 46 7.120 13.333 -12.878 1.00 0.00 O ATOM 1603 CG2 THR B 46 6.974 14.779 -11.024 1.00 0.00 C ATOM 0 H THR B 46 7.972 11.016 -11.694 1.00 0.00 H new ATOM 0 HA THR B 46 9.451 13.414 -11.816 1.00 0.00 H new ATOM 0 HB THR B 46 6.691 12.678 -10.919 1.00 0.00 H new ATOM 0 HG1 THR B 46 6.706 12.481 -13.129 1.00 0.00 H new ATOM 0 HG21 THR B 46 5.944 15.004 -11.301 1.00 0.00 H new ATOM 0 HG22 THR B 46 7.082 14.851 -9.942 1.00 0.00 H new ATOM 0 HG23 THR B 46 7.643 15.493 -11.504 1.00 0.00 H new ATOM 1611 N ILE B 47 9.215 12.314 -8.783 1.00 0.00 N ATOM 1612 CA ILE B 47 9.712 12.493 -7.408 1.00 0.00 C ATOM 1613 C ILE B 47 11.243 12.655 -7.301 1.00 0.00 C ATOM 1614 O ILE B 47 11.760 13.073 -6.264 1.00 0.00 O ATOM 1615 CB ILE B 47 9.117 11.389 -6.478 1.00 0.00 C ATOM 1616 CG1 ILE B 47 8.279 11.994 -5.336 1.00 0.00 C ATOM 1617 CG2 ILE B 47 10.138 10.401 -5.885 1.00 0.00 C ATOM 1618 CD1 ILE B 47 6.876 12.410 -5.797 1.00 0.00 C ATOM 0 H ILE B 47 8.865 11.372 -8.955 1.00 0.00 H new ATOM 0 HA ILE B 47 9.348 13.456 -7.051 1.00 0.00 H new ATOM 0 HB ILE B 47 8.484 10.809 -7.150 1.00 0.00 H new ATOM 0 HG12 ILE B 47 8.192 11.267 -4.528 1.00 0.00 H new ATOM 0 HG13 ILE B 47 8.797 12.862 -4.929 1.00 0.00 H new ATOM 0 HG21 ILE B 47 9.621 9.677 -5.256 1.00 0.00 H new ATOM 0 HG22 ILE B 47 10.650 9.879 -6.693 1.00 0.00 H new ATOM 0 HG23 ILE B 47 10.867 10.947 -5.286 1.00 0.00 H new ATOM 0 HD11 ILE B 47 6.326 12.830 -4.955 1.00 0.00 H new ATOM 0 HD12 ILE B 47 6.959 13.158 -6.586 1.00 0.00 H new ATOM 0 HD13 ILE B 47 6.345 11.538 -6.178 1.00 0.00 H new ATOM 1630 N ASN B 48 11.963 12.367 -8.387 1.00 0.00 N ATOM 1631 CA ASN B 48 13.418 12.541 -8.518 1.00 0.00 C ATOM 1632 C ASN B 48 13.812 13.988 -8.866 1.00 0.00 C ATOM 1633 O ASN B 48 14.277 14.751 -8.014 1.00 0.00 O ATOM 1634 CB ASN B 48 13.964 11.519 -9.541 1.00 0.00 C ATOM 1635 CG ASN B 48 15.460 11.623 -9.799 1.00 0.00 C ATOM 1636 OD1 ASN B 48 16.246 12.043 -8.963 1.00 0.00 O ATOM 1637 ND2 ASN B 48 15.898 11.238 -10.977 1.00 0.00 N ATOM 0 H ASN B 48 11.536 11.992 -9.234 1.00 0.00 H new ATOM 0 HA ASN B 48 13.879 12.346 -7.549 1.00 0.00 H new ATOM 0 HB2 ASN B 48 13.738 10.513 -9.187 1.00 0.00 H new ATOM 0 HB3 ASN B 48 13.435 11.651 -10.485 1.00 0.00 H new ATOM 0 HD21 ASN B 48 16.894 11.290 -11.193 1.00 0.00 H new ATOM 0 HD22 ASN B 48 15.242 10.887 -11.675 1.00 0.00 H new ATOM 1644 N GLY B 49 13.623 14.345 -10.136 1.00 0.00 N ATOM 1645 CA GLY B 49 14.105 15.586 -10.767 1.00 0.00 C ATOM 1646 C GLY B 49 13.549 15.797 -12.174 1.00 0.00 C ATOM 1647 O GLY B 49 13.898 15.002 -13.074 1.00 0.00 O ATOM 1648 OXT GLY B 49 12.775 16.761 -12.367 1.00 0.00 O ATOM 0 H GLY B 49 13.107 13.754 -10.788 1.00 0.00 H new ATOM 0 HA2 GLY B 49 13.829 16.435 -10.142 1.00 0.00 H new ATOM 0 HA3 GLY B 49 15.194 15.565 -10.812 1.00 0.00 H new TER 1652 GLY B 49 HETATM 1653 ZN ZN A 50 -1.370 -0.339 -4.527 1.00 0.00 ZN HETATM 1654 ZN ZN B 150 1.344 2.250 -5.662 1.00 0.00 ZN