USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 49 THR OG1 : rot -63:sc= 0.355 USER MOD Set 1.2: B 51 THR OG1 : rot 58:sc= 0.739 USER MOD Set 2.1: B 44 THR OG1 : rot -16:sc= 1.86 USER MOD Set 2.2: B 53 THR OG1 : rot 100:sc= 1.24 USER MOD Set 3.1: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 3 TYR OH : rot 165:sc= -1.58 USER MOD Set 4.1: A 49 THR OG1 : rot -63:sc= 0.361 USER MOD Set 4.2: A 51 THR OG1 : rot 59:sc= 0.737 USER MOD Set 5.1: A 44 THR OG1 : rot -19:sc= 1.79 USER MOD Set 5.2: A 53 THR OG1 : rot 97:sc= 1.2 USER MOD Set 6.1: A 3 TYR OH : rot 180:sc= -1.56 USER MOD Set 6.2: B 50 LYS NZ :NH3+ 169:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 166:sc=-0.00113 (180deg=-0.208) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 136:sc= -0.584 (180deg=-2.59!) USER MOD Single : A 8 ASN :FLIP amide:sc= -1.52 F(o=-4.5!,f=-1.5) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -140:sc= -3.63! USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= -0.0456 (180deg=-0.243) USER MOD Single : A 16 THR OG1 : rot 179:sc= -5.45! USER MOD Single : A 17 THR OG1 : rot 28:sc= 0.406 USER MOD Single : A 18 THR OG1 : rot 33:sc= -0.512 USER MOD Single : A 25 THR OG1 : rot -8:sc= -0.799! USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.033 (180deg=-0.257) USER MOD Single : A 31 LYS NZ :NH3+ -172:sc=-0.00211 (180deg=-0.0668) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.926 F(o=-2.7,f=-0.93) USER MOD Single : A 35 ASN : amide:sc= -3.61! C(o=-3.6!,f=-3.6!) USER MOD Single : A 37 ASN :FLIP amide:sc= -4.26 F(o=-5.4!,f=-4.3) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 166:sc=-0.000234 (180deg=-0.21) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 LYS NZ :NH3+ 138:sc= -0.591 (180deg=-2.6!) USER MOD Single : B 8 ASN :FLIP amide:sc= -1.51 F(o=-4.5!,f=-1.5) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot -140:sc= -3.65! USER MOD Single : B 13 LYS NZ :NH3+ 166:sc= -0.0394 (180deg=-0.267) USER MOD Single : B 16 THR OG1 : rot 164:sc= -5.4! USER MOD Single : B 17 THR OG1 : rot 29:sc= 0.414 USER MOD Single : B 18 THR OG1 : rot 34:sc= -0.519 USER MOD Single : B 25 THR OG1 : rot -9:sc= -0.79! USER MOD Single : B 28 LYS NZ :NH3+ -167:sc= -0.0336 (180deg=-0.259) USER MOD Single : B 31 LYS NZ :NH3+ -172:sc= -0.006 (180deg=-0.0704) USER MOD Single : B 32 GLN :FLIP amide:sc= -0.896 F(o=-2.7,f=-0.9) USER MOD Single : B 35 ASN : amide:sc= -3.62! C(o=-3.6!,f=-3.7!) USER MOD Single : B 37 ASN :FLIP amide:sc= -4.33 F(o=-5.3!,f=-4.3) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.296 -18.979 1.832 1.00 0.00 N ATOM 2 CA MET A 1 6.805 -18.104 0.744 1.00 0.00 C ATOM 3 C MET A 1 6.454 -16.642 0.992 1.00 0.00 C ATOM 4 O MET A 1 5.333 -16.317 1.384 1.00 0.00 O ATOM 5 CB MET A 1 6.197 -18.563 -0.585 1.00 0.00 C ATOM 6 CG MET A 1 6.541 -17.653 -1.758 1.00 0.00 C ATOM 7 SD MET A 1 8.290 -17.691 -2.190 1.00 0.00 S ATOM 8 CE MET A 1 8.414 -19.307 -2.948 1.00 0.00 C ATOM 0 H1 MET A 1 6.552 -19.967 1.632 1.00 0.00 H new ATOM 0 H2 MET A 1 6.718 -18.689 2.737 1.00 0.00 H new ATOM 0 H3 MET A 1 5.261 -18.895 1.890 1.00 0.00 H new ATOM 0 HA MET A 1 7.892 -18.184 0.713 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.544 -19.573 -0.805 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.113 -18.614 -0.481 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.952 -17.950 -2.626 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.255 -16.630 -1.513 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.359 -19.385 -3.486 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.372 -20.075 -2.176 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.587 -19.447 -3.644 1.00 0.00 H new ATOM 20 N GLN A 2 7.416 -15.762 0.739 1.00 0.00 N ATOM 21 CA GLN A 2 7.211 -14.332 0.907 1.00 0.00 C ATOM 22 C GLN A 2 6.976 -13.681 -0.449 1.00 0.00 C ATOM 23 O GLN A 2 7.619 -14.036 -1.437 1.00 0.00 O ATOM 24 CB GLN A 2 8.418 -13.693 1.596 1.00 0.00 C ATOM 25 CG GLN A 2 8.272 -12.195 1.814 1.00 0.00 C ATOM 26 CD GLN A 2 9.477 -11.584 2.502 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.596 -11.651 1.994 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.250 -10.985 3.665 1.00 0.00 N ATOM 0 H GLN A 2 8.349 -16.017 0.415 1.00 0.00 H new ATOM 0 HA GLN A 2 6.334 -14.176 1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.575 -14.178 2.559 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.309 -13.879 0.996 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.121 -11.705 0.852 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.381 -12.004 2.413 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.305 -10.954 4.047 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.021 -10.555 4.176 1.00 0.00 H new ATOM 37 N TYR A 3 6.053 -12.729 -0.497 1.00 0.00 N ATOM 38 CA TYR A 3 5.738 -12.039 -1.741 1.00 0.00 C ATOM 39 C TYR A 3 5.857 -10.532 -1.573 1.00 0.00 C ATOM 40 O TYR A 3 5.497 -9.982 -0.533 1.00 0.00 O ATOM 41 CB TYR A 3 4.330 -12.407 -2.210 1.00 0.00 C ATOM 42 CG TYR A 3 4.176 -13.869 -2.564 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.032 -14.835 -1.575 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.178 -14.284 -3.889 1.00 0.00 C ATOM 45 CE1 TYR A 3 3.895 -16.172 -1.898 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.042 -15.620 -4.221 1.00 0.00 C ATOM 47 CZ TYR A 3 3.901 -16.558 -3.221 1.00 0.00 C ATOM 48 OH TYR A 3 3.767 -17.889 -3.545 1.00 0.00 O ATOM 0 H TYR A 3 5.511 -12.418 0.309 1.00 0.00 H new ATOM 0 HA TYR A 3 6.457 -12.357 -2.496 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.616 -12.154 -1.426 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.075 -11.802 -3.080 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.027 -14.536 -0.537 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.288 -13.551 -4.674 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.784 -16.910 -1.118 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.046 -15.926 -5.257 1.00 0.00 H new ATOM 0 HH TYR A 3 3.790 -17.992 -4.519 1.00 0.00 H new ATOM 58 N LYS A 4 6.363 -9.866 -2.606 1.00 0.00 N ATOM 59 CA LYS A 4 6.526 -8.418 -2.574 1.00 0.00 C ATOM 60 C LYS A 4 5.536 -7.747 -3.515 1.00 0.00 C ATOM 61 O LYS A 4 5.636 -7.884 -4.732 1.00 0.00 O ATOM 62 CB LYS A 4 7.956 -8.031 -2.957 1.00 0.00 C ATOM 63 CG LYS A 4 8.191 -6.529 -2.995 1.00 0.00 C ATOM 64 CD LYS A 4 9.609 -6.192 -3.433 1.00 0.00 C ATOM 65 CE LYS A 4 10.647 -6.747 -2.469 1.00 0.00 C ATOM 66 NZ LYS A 4 10.544 -6.130 -1.118 1.00 0.00 N ATOM 0 H LYS A 4 6.667 -10.306 -3.475 1.00 0.00 H new ATOM 0 HA LYS A 4 6.330 -8.076 -1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.648 -8.481 -2.245 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.187 -8.451 -3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.479 -6.067 -3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.005 -6.106 -2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.787 -6.596 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.720 -5.110 -3.503 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.522 -7.826 -2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.645 -6.572 -2.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.623 -6.870 -0.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.311 -5.439 -0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.626 -5.650 -1.025 1.00 0.00 H new ATOM 80 N VAL A 5 4.575 -7.031 -2.949 1.00 0.00 N ATOM 81 CA VAL A 5 3.567 -6.356 -3.752 1.00 0.00 C ATOM 82 C VAL A 5 3.966 -4.910 -4.028 1.00 0.00 C ATOM 83 O VAL A 5 4.237 -4.137 -3.108 1.00 0.00 O ATOM 84 CB VAL A 5 2.184 -6.393 -3.065 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.124 -5.734 -3.938 1.00 0.00 C ATOM 86 CG2 VAL A 5 1.793 -7.825 -2.732 1.00 0.00 C ATOM 0 H VAL A 5 4.472 -6.903 -1.942 1.00 0.00 H new ATOM 0 HA VAL A 5 3.498 -6.890 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 5 2.251 -5.829 -2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.160 -5.773 -3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.397 -4.694 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.056 -6.262 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.816 -7.832 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.749 -8.413 -3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.534 -8.257 -2.060 1.00 0.00 H new ATOM 96 N ILE A 6 3.997 -4.559 -5.305 1.00 0.00 N ATOM 97 CA ILE A 6 4.355 -3.212 -5.723 1.00 0.00 C ATOM 98 C ILE A 6 3.106 -2.363 -5.921 1.00 0.00 C ATOM 99 O ILE A 6 2.216 -2.713 -6.696 1.00 0.00 O ATOM 100 CB ILE A 6 5.195 -3.227 -7.020 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.582 -3.804 -6.739 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.316 -1.830 -7.610 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.426 -3.985 -7.983 1.00 0.00 C ATOM 0 H ILE A 6 3.777 -5.193 -6.074 1.00 0.00 H new ATOM 0 HA ILE A 6 4.962 -2.773 -4.931 1.00 0.00 H new ATOM 0 HB ILE A 6 4.686 -3.858 -7.749 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.107 -3.146 -6.047 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.472 -4.768 -6.241 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.912 -1.870 -8.522 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.323 -1.446 -7.843 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.800 -1.171 -6.889 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.396 -4.398 -7.707 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.923 -4.667 -8.668 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.568 -3.020 -8.470 1.00 0.00 H new ATOM 115 N LEU A 7 3.044 -1.252 -5.200 1.00 0.00 N ATOM 116 CA LEU A 7 1.902 -0.355 -5.277 1.00 0.00 C ATOM 117 C LEU A 7 2.246 0.871 -6.121 1.00 0.00 C ATOM 118 O LEU A 7 2.633 1.916 -5.596 1.00 0.00 O ATOM 119 CB LEU A 7 1.482 0.057 -3.863 1.00 0.00 C ATOM 120 CG LEU A 7 1.544 -1.067 -2.829 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.021 -0.584 -1.485 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.764 -2.279 -3.319 1.00 0.00 C ATOM 0 H LEU A 7 3.774 -0.951 -4.554 1.00 0.00 H new ATOM 0 HA LEU A 7 1.069 -0.869 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.123 0.874 -3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.464 0.445 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 7 2.584 -1.365 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.073 -1.397 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.629 0.251 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.014 -0.259 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.817 -3.072 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.278 -2.001 -3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.194 -2.634 -4.256 1.00 0.00 H new ATOM 134 N ASN A 8 2.120 0.725 -7.440 1.00 0.00 N ATOM 135 CA ASN A 8 2.434 1.806 -8.369 1.00 0.00 C ATOM 136 C ASN A 8 1.209 2.654 -8.701 1.00 0.00 C ATOM 137 O ASN A 8 0.335 2.229 -9.448 1.00 0.00 O ATOM 138 CB ASN A 8 3.026 1.241 -9.667 1.00 0.00 C ATOM 139 CG ASN A 8 4.438 0.694 -9.508 1.00 0.00 C ATOM 140 OD1 ASN A 8 5.022 0.840 -8.322 1.00 0.00 O flip ATOM 141 ND2 ASN A 8 5.006 0.150 -10.456 1.00 0.00 N flip ATOM 0 H ASN A 8 1.802 -0.134 -7.888 1.00 0.00 H new ATOM 0 HA ASN A 8 3.165 2.446 -7.875 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.377 0.447 -10.036 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.033 2.025 -10.424 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.527 0.055 -11.351 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.955 -0.206 -10.345 1.00 0.00 H new ATOM 148 N GLY A 9 1.163 3.865 -8.161 1.00 0.00 N ATOM 149 CA GLY A 9 0.049 4.754 -8.434 1.00 0.00 C ATOM 150 C GLY A 9 0.466 5.951 -9.260 1.00 0.00 C ATOM 151 O GLY A 9 1.595 6.013 -9.747 1.00 0.00 O ATOM 0 H GLY A 9 1.876 4.248 -7.540 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.732 4.205 -8.960 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.381 5.096 -7.492 1.00 0.00 H new ATOM 155 N LYS A 10 -0.440 6.907 -9.417 1.00 0.00 N ATOM 156 CA LYS A 10 -0.149 8.107 -10.188 1.00 0.00 C ATOM 157 C LYS A 10 0.682 9.083 -9.362 1.00 0.00 C ATOM 158 O LYS A 10 1.758 9.511 -9.783 1.00 0.00 O ATOM 159 CB LYS A 10 -1.448 8.778 -10.640 1.00 0.00 C ATOM 160 CG LYS A 10 -2.318 7.890 -11.516 1.00 0.00 C ATOM 161 CD LYS A 10 -3.580 8.609 -11.962 1.00 0.00 C ATOM 162 CE LYS A 10 -4.434 9.029 -10.775 1.00 0.00 C ATOM 163 NZ LYS A 10 -5.675 9.729 -11.204 1.00 0.00 N ATOM 0 H LYS A 10 -1.380 6.875 -9.022 1.00 0.00 H new ATOM 0 HA LYS A 10 0.423 7.818 -11.070 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.018 9.077 -9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.205 9.689 -11.187 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.751 7.573 -12.391 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.587 6.988 -10.967 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.311 9.489 -12.547 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.160 7.957 -12.615 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.698 8.149 -10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.854 9.684 -10.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.229 9.999 -10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.424 10.583 -11.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.241 9.096 -11.804 1.00 0.00 H new ATOM 177 N THR A 11 0.173 9.434 -8.187 1.00 0.00 N ATOM 178 CA THR A 11 0.846 10.357 -7.292 1.00 0.00 C ATOM 179 C THR A 11 1.465 9.618 -6.113 1.00 0.00 C ATOM 180 O THR A 11 2.019 10.235 -5.203 1.00 0.00 O ATOM 181 CB THR A 11 -0.157 11.387 -6.780 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.375 10.758 -6.426 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.475 12.471 -7.783 1.00 0.00 C ATOM 0 H THR A 11 -0.717 9.085 -7.832 1.00 0.00 H new ATOM 0 HA THR A 11 1.644 10.855 -7.842 1.00 0.00 H new ATOM 0 HB THR A 11 0.320 11.850 -5.916 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.127 11.319 -6.708 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.194 13.167 -7.351 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.438 13.007 -8.042 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.899 12.022 -8.681 1.00 0.00 H new ATOM 191 N LEU A 12 1.358 8.294 -6.125 1.00 0.00 N ATOM 192 CA LEU A 12 1.899 7.485 -5.050 1.00 0.00 C ATOM 193 C LEU A 12 2.599 6.243 -5.591 1.00 0.00 C ATOM 194 O LEU A 12 2.113 5.593 -6.515 1.00 0.00 O ATOM 195 CB LEU A 12 0.779 7.090 -4.084 1.00 0.00 C ATOM 196 CG LEU A 12 1.213 6.224 -2.910 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.439 6.824 -2.247 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.079 6.073 -1.908 1.00 0.00 C ATOM 0 H LEU A 12 0.902 7.763 -6.867 1.00 0.00 H new ATOM 0 HA LEU A 12 2.642 8.077 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.319 7.998 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.009 6.558 -4.643 1.00 0.00 H new ATOM 0 HG LEU A 12 1.469 5.232 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.742 6.198 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.253 6.881 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.204 7.825 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.409 5.451 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.209 7.055 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.777 5.605 -2.395 1.00 0.00 H new ATOM 210 N LYS A 13 3.743 5.922 -4.998 1.00 0.00 N ATOM 211 CA LYS A 13 4.521 4.756 -5.403 1.00 0.00 C ATOM 212 C LYS A 13 5.194 4.125 -4.191 1.00 0.00 C ATOM 213 O LYS A 13 5.600 4.829 -3.269 1.00 0.00 O ATOM 214 CB LYS A 13 5.572 5.150 -6.444 1.00 0.00 C ATOM 215 CG LYS A 13 4.977 5.735 -7.715 1.00 0.00 C ATOM 216 CD LYS A 13 6.060 6.113 -8.713 1.00 0.00 C ATOM 217 CE LYS A 13 5.465 6.690 -9.987 1.00 0.00 C ATOM 218 NZ LYS A 13 4.660 7.914 -9.722 1.00 0.00 N ATOM 0 H LYS A 13 4.154 6.455 -4.232 1.00 0.00 H new ATOM 0 HA LYS A 13 3.845 4.027 -5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.254 5.877 -6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.165 4.272 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.300 5.011 -8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.384 6.616 -7.469 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.734 6.842 -8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.657 5.234 -8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.267 6.928 -10.686 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.836 5.939 -10.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.472 8.407 -10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.758 7.647 -9.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.187 8.545 -9.084 1.00 0.00 H new ATOM 232 N GLY A 14 5.312 2.802 -4.187 1.00 0.00 N ATOM 233 CA GLY A 14 5.938 2.132 -3.062 1.00 0.00 C ATOM 234 C GLY A 14 6.099 0.639 -3.262 1.00 0.00 C ATOM 235 O GLY A 14 5.755 0.101 -4.315 1.00 0.00 O ATOM 0 H GLY A 14 4.989 2.187 -4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.918 2.575 -2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.342 2.309 -2.167 1.00 0.00 H new ATOM 239 N GLU A 15 6.615 -0.029 -2.235 1.00 0.00 N ATOM 240 CA GLU A 15 6.821 -1.471 -2.272 1.00 0.00 C ATOM 241 C GLU A 15 6.431 -2.094 -0.938 1.00 0.00 C ATOM 242 O GLU A 15 6.768 -1.573 0.125 1.00 0.00 O ATOM 243 CB GLU A 15 8.282 -1.810 -2.592 1.00 0.00 C ATOM 244 CG GLU A 15 8.753 -1.329 -3.956 1.00 0.00 C ATOM 245 CD GLU A 15 8.890 0.179 -4.035 1.00 0.00 C ATOM 246 OE1 GLU A 15 9.648 0.749 -3.222 1.00 0.00 O ATOM 247 OE2 GLU A 15 8.246 0.790 -4.914 1.00 0.00 O ATOM 0 H GLU A 15 6.900 0.411 -1.360 1.00 0.00 H new ATOM 0 HA GLU A 15 6.189 -1.880 -3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.921 -1.372 -1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.412 -2.891 -2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.714 -1.789 -4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.049 -1.665 -4.717 1.00 0.00 H new ATOM 254 N THR A 16 5.719 -3.210 -1.002 1.00 0.00 N ATOM 255 CA THR A 16 5.277 -3.909 0.197 1.00 0.00 C ATOM 256 C THR A 16 5.526 -5.411 0.080 1.00 0.00 C ATOM 257 O THR A 16 5.811 -5.916 -1.005 1.00 0.00 O ATOM 258 CB THR A 16 3.800 -3.611 0.467 1.00 0.00 C ATOM 259 OG1 THR A 16 3.241 -4.598 1.297 1.00 0.00 O ATOM 260 CG2 THR A 16 2.954 -3.526 -0.784 1.00 0.00 C ATOM 0 H THR A 16 5.434 -3.653 -1.876 1.00 0.00 H new ATOM 0 HA THR A 16 5.860 -3.547 1.044 1.00 0.00 H new ATOM 0 HB THR A 16 3.791 -2.633 0.948 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.301 -4.383 1.474 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.921 -3.312 -0.511 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.332 -2.730 -1.425 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.999 -4.475 -1.319 1.00 0.00 H new ATOM 268 N THR A 17 5.443 -6.120 1.208 1.00 0.00 N ATOM 269 CA THR A 17 5.690 -7.562 1.212 1.00 0.00 C ATOM 270 C THR A 17 4.781 -8.323 2.180 1.00 0.00 C ATOM 271 O THR A 17 4.822 -8.111 3.391 1.00 0.00 O ATOM 272 CB THR A 17 7.149 -7.836 1.570 1.00 0.00 C ATOM 273 OG1 THR A 17 7.471 -7.271 2.828 1.00 0.00 O ATOM 274 CG2 THR A 17 8.130 -7.288 0.556 1.00 0.00 C ATOM 0 H THR A 17 5.210 -5.725 2.119 1.00 0.00 H new ATOM 0 HA THR A 17 5.466 -7.921 0.208 1.00 0.00 H new ATOM 0 HB THR A 17 7.241 -8.922 1.589 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.665 -7.228 3.383 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.147 -7.518 0.873 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.941 -7.743 -0.416 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.009 -6.207 0.480 1.00 0.00 H new ATOM 282 N THR A 18 3.986 -9.236 1.626 1.00 0.00 N ATOM 283 CA THR A 18 3.083 -10.074 2.416 1.00 0.00 C ATOM 284 C THR A 18 3.627 -11.503 2.462 1.00 0.00 C ATOM 285 O THR A 18 4.223 -11.974 1.493 1.00 0.00 O ATOM 286 CB THR A 18 1.681 -10.070 1.804 1.00 0.00 C ATOM 287 OG1 THR A 18 0.775 -10.779 2.629 1.00 0.00 O ATOM 288 CG2 THR A 18 1.624 -10.688 0.423 1.00 0.00 C ATOM 0 H THR A 18 3.948 -9.416 0.623 1.00 0.00 H new ATOM 0 HA THR A 18 3.021 -9.675 3.428 1.00 0.00 H new ATOM 0 HB THR A 18 1.405 -9.019 1.722 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.036 -10.673 3.568 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.600 -10.651 0.050 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.276 -10.133 -0.251 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.954 -11.725 0.475 1.00 0.00 H new ATOM 296 N GLU A 19 3.426 -12.189 3.579 1.00 0.00 N ATOM 297 CA GLU A 19 3.906 -13.562 3.725 1.00 0.00 C ATOM 298 C GLU A 19 2.744 -14.549 3.691 1.00 0.00 C ATOM 299 O GLU A 19 1.850 -14.493 4.535 1.00 0.00 O ATOM 300 CB GLU A 19 4.684 -13.716 5.033 1.00 0.00 C ATOM 301 CG GLU A 19 5.242 -15.113 5.248 1.00 0.00 C ATOM 302 CD GLU A 19 6.025 -15.238 6.542 1.00 0.00 C ATOM 303 OE1 GLU A 19 6.132 -14.232 7.273 1.00 0.00 O ATOM 304 OE2 GLU A 19 6.532 -16.345 6.823 1.00 0.00 O ATOM 0 H GLU A 19 2.937 -11.822 4.395 1.00 0.00 H new ATOM 0 HA GLU A 19 4.570 -13.780 2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.506 -13.000 5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.030 -13.463 5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.422 -15.831 5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.888 -15.375 4.410 1.00 0.00 H new ATOM 311 N ALA A 20 2.753 -15.449 2.710 1.00 0.00 N ATOM 312 CA ALA A 20 1.689 -16.435 2.580 1.00 0.00 C ATOM 313 C ALA A 20 2.193 -17.743 1.972 1.00 0.00 C ATOM 314 O ALA A 20 3.167 -17.763 1.219 1.00 0.00 O ATOM 315 CB ALA A 20 0.552 -15.869 1.745 1.00 0.00 C ATOM 0 H ALA A 20 3.481 -15.514 1.999 1.00 0.00 H new ATOM 0 HA ALA A 20 1.324 -16.661 3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.238 -16.614 1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.155 -14.976 2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.923 -15.610 0.753 1.00 0.00 H new ATOM 321 N VAL A 21 1.521 -18.834 2.329 1.00 0.00 N ATOM 322 CA VAL A 21 1.887 -20.168 1.853 1.00 0.00 C ATOM 323 C VAL A 21 2.039 -20.205 0.332 1.00 0.00 C ATOM 324 O VAL A 21 2.795 -21.013 -0.205 1.00 0.00 O ATOM 325 CB VAL A 21 0.832 -21.211 2.267 1.00 0.00 C ATOM 326 CG1 VAL A 21 1.311 -22.618 1.942 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.497 -21.075 3.744 1.00 0.00 C ATOM 0 H VAL A 21 0.713 -18.821 2.952 1.00 0.00 H new ATOM 0 HA VAL A 21 2.846 -20.409 2.312 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.078 -21.026 1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.551 -23.339 2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.489 -22.703 0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.237 -22.821 2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.250 -21.820 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.398 -21.230 4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.102 -20.078 3.937 1.00 0.00 H new ATOM 337 N ASP A 22 1.321 -19.324 -0.356 1.00 0.00 N ATOM 338 CA ASP A 22 1.394 -19.262 -1.815 1.00 0.00 C ATOM 339 C ASP A 22 1.058 -17.870 -2.333 1.00 0.00 C ATOM 340 O ASP A 22 0.686 -16.982 -1.565 1.00 0.00 O ATOM 341 CB ASP A 22 0.464 -20.301 -2.446 1.00 0.00 C ATOM 342 CG ASP A 22 -0.942 -20.242 -1.886 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.107 -20.507 -0.678 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.876 -19.930 -2.654 1.00 0.00 O ATOM 0 H ASP A 22 0.686 -18.647 0.067 1.00 0.00 H new ATOM 0 HA ASP A 22 2.421 -19.488 -2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.428 -20.144 -3.524 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.875 -21.297 -2.282 1.00 0.00 H new ATOM 349 N ALA A 23 1.201 -17.683 -3.641 1.00 0.00 N ATOM 350 CA ALA A 23 0.923 -16.397 -4.266 1.00 0.00 C ATOM 351 C ALA A 23 -0.518 -15.969 -4.030 1.00 0.00 C ATOM 352 O ALA A 23 -0.784 -14.807 -3.722 1.00 0.00 O ATOM 353 CB ALA A 23 1.227 -16.456 -5.756 1.00 0.00 C ATOM 0 H ALA A 23 1.509 -18.408 -4.289 1.00 0.00 H new ATOM 0 HA ALA A 23 1.571 -15.651 -3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.014 -15.488 -6.209 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.278 -16.703 -5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.606 -17.220 -6.224 1.00 0.00 H new ATOM 359 N ALA A 24 -1.442 -16.908 -4.164 1.00 0.00 N ATOM 360 CA ALA A 24 -2.853 -16.614 -3.950 1.00 0.00 C ATOM 361 C ALA A 24 -3.078 -16.164 -2.517 1.00 0.00 C ATOM 362 O ALA A 24 -3.600 -15.077 -2.273 1.00 0.00 O ATOM 363 CB ALA A 24 -3.711 -17.825 -4.281 1.00 0.00 C ATOM 0 H ALA A 24 -1.243 -17.876 -4.419 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.148 -15.805 -4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.761 -17.584 -4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.564 -18.101 -5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.425 -18.660 -3.641 1.00 0.00 H new ATOM 369 N THR A 25 -2.656 -16.992 -1.564 1.00 0.00 N ATOM 370 CA THR A 25 -2.790 -16.652 -0.158 1.00 0.00 C ATOM 371 C THR A 25 -2.193 -15.276 0.085 1.00 0.00 C ATOM 372 O THR A 25 -2.803 -14.429 0.739 1.00 0.00 O ATOM 373 CB THR A 25 -2.106 -17.704 0.714 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.771 -17.927 0.295 1.00 0.00 O ATOM 375 CG2 THR A 25 -2.823 -19.037 0.715 1.00 0.00 C ATOM 0 H THR A 25 -2.221 -17.897 -1.743 1.00 0.00 H new ATOM 0 HA THR A 25 -3.846 -16.633 0.111 1.00 0.00 H new ATOM 0 HB THR A 25 -2.130 -17.296 1.724 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.611 -17.459 -0.551 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.286 -19.739 1.353 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.836 -18.905 1.094 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.864 -19.429 -0.301 1.00 0.00 H new ATOM 383 N ALA A 26 -1.010 -15.043 -0.481 1.00 0.00 N ATOM 384 CA ALA A 26 -0.359 -13.752 -0.355 1.00 0.00 C ATOM 385 C ALA A 26 -1.259 -12.686 -0.959 1.00 0.00 C ATOM 386 O ALA A 26 -1.595 -11.696 -0.311 1.00 0.00 O ATOM 387 CB ALA A 26 1.000 -13.768 -1.038 1.00 0.00 C ATOM 0 H ALA A 26 -0.490 -15.730 -1.027 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.193 -13.527 0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.472 -12.791 -0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.631 -14.527 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.873 -13.997 -2.096 1.00 0.00 H new ATOM 393 N GLU A 27 -1.663 -12.911 -2.209 1.00 0.00 N ATOM 394 CA GLU A 27 -2.542 -11.993 -2.917 1.00 0.00 C ATOM 395 C GLU A 27 -3.765 -11.649 -2.072 1.00 0.00 C ATOM 396 O GLU A 27 -4.098 -10.478 -1.893 1.00 0.00 O ATOM 397 CB GLU A 27 -2.988 -12.624 -4.236 1.00 0.00 C ATOM 398 CG GLU A 27 -3.850 -11.715 -5.095 1.00 0.00 C ATOM 399 CD GLU A 27 -3.091 -10.507 -5.609 1.00 0.00 C ATOM 400 OE1 GLU A 27 -2.564 -9.738 -4.778 1.00 0.00 O ATOM 401 OE2 GLU A 27 -3.022 -10.332 -6.843 1.00 0.00 O ATOM 0 H GLU A 27 -1.390 -13.730 -2.752 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.992 -11.073 -3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.105 -12.914 -4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.543 -13.537 -4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.239 -12.282 -5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.709 -11.380 -4.514 1.00 0.00 H new ATOM 408 N LYS A 28 -4.425 -12.682 -1.551 1.00 0.00 N ATOM 409 CA LYS A 28 -5.611 -12.493 -0.722 1.00 0.00 C ATOM 410 C LYS A 28 -5.302 -11.609 0.479 1.00 0.00 C ATOM 411 O LYS A 28 -6.115 -10.772 0.871 1.00 0.00 O ATOM 412 CB LYS A 28 -6.151 -13.845 -0.252 1.00 0.00 C ATOM 413 CG LYS A 28 -6.620 -14.738 -1.387 1.00 0.00 C ATOM 414 CD LYS A 28 -7.688 -14.053 -2.223 1.00 0.00 C ATOM 415 CE LYS A 28 -8.168 -14.945 -3.355 1.00 0.00 C ATOM 416 NZ LYS A 28 -7.058 -15.323 -4.273 1.00 0.00 N ATOM 0 H LYS A 28 -4.158 -13.657 -1.689 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.370 -11.997 -1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.373 -14.363 0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.981 -13.677 0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.772 -15.001 -2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.015 -15.669 -0.981 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.532 -13.784 -1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.290 -13.125 -2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.619 -15.846 -2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.946 -14.430 -3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.452 -15.740 -5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.505 -14.476 -4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.441 -16.017 -3.805 1.00 0.00 H new ATOM 430 N VAL A 29 -4.122 -11.797 1.054 1.00 0.00 N ATOM 431 CA VAL A 29 -3.704 -11.012 2.208 1.00 0.00 C ATOM 432 C VAL A 29 -3.715 -9.527 1.885 1.00 0.00 C ATOM 433 O VAL A 29 -4.123 -8.706 2.707 1.00 0.00 O ATOM 434 CB VAL A 29 -2.297 -11.422 2.687 1.00 0.00 C ATOM 435 CG1 VAL A 29 -1.842 -10.545 3.842 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.275 -12.891 3.082 1.00 0.00 C ATOM 0 H VAL A 29 -3.438 -12.485 0.741 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.417 -11.211 3.008 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.600 -11.279 1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.847 -10.853 4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.813 -9.504 3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.539 -10.648 4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.274 -13.163 3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.987 -13.061 3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.548 -13.503 2.222 1.00 0.00 H new ATOM 446 N VAL A 30 -3.280 -9.186 0.681 1.00 0.00 N ATOM 447 CA VAL A 30 -3.259 -7.799 0.257 1.00 0.00 C ATOM 448 C VAL A 30 -4.686 -7.260 0.198 1.00 0.00 C ATOM 449 O VAL A 30 -4.978 -6.189 0.729 1.00 0.00 O ATOM 450 CB VAL A 30 -2.588 -7.644 -1.118 1.00 0.00 C ATOM 451 CG1 VAL A 30 -2.482 -6.178 -1.502 1.00 0.00 C ATOM 452 CG2 VAL A 30 -1.218 -8.304 -1.119 1.00 0.00 C ATOM 0 H VAL A 30 -2.939 -9.849 -0.015 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.678 -7.230 0.983 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.208 -8.144 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.004 -6.091 -2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.479 -5.740 -1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.886 -5.649 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.757 -8.185 -2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.588 -7.836 -0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.325 -9.365 -0.895 1.00 0.00 H new ATOM 462 N LYS A 31 -5.583 -8.023 -0.441 1.00 0.00 N ATOM 463 CA LYS A 31 -6.987 -7.628 -0.550 1.00 0.00 C ATOM 464 C LYS A 31 -7.520 -7.161 0.797 1.00 0.00 C ATOM 465 O LYS A 31 -8.214 -6.149 0.886 1.00 0.00 O ATOM 466 CB LYS A 31 -7.847 -8.783 -1.074 1.00 0.00 C ATOM 467 CG LYS A 31 -7.783 -8.965 -2.583 1.00 0.00 C ATOM 468 CD LYS A 31 -6.384 -9.322 -3.052 1.00 0.00 C ATOM 469 CE LYS A 31 -6.307 -9.382 -4.571 1.00 0.00 C ATOM 470 NZ LYS A 31 -7.176 -10.452 -5.134 1.00 0.00 N ATOM 0 H LYS A 31 -5.359 -8.913 -0.887 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.043 -6.803 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.528 -9.708 -0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.883 -8.613 -0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.478 -9.749 -2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.107 -8.047 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.674 -8.584 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.093 -10.285 -2.633 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.603 -8.419 -4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.275 -9.557 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.992 -10.548 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.969 -11.353 -4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.175 -10.203 -4.984 1.00 0.00 H new ATOM 484 N GLN A 32 -7.170 -7.894 1.846 1.00 0.00 N ATOM 485 CA GLN A 32 -7.600 -7.535 3.190 1.00 0.00 C ATOM 486 C GLN A 32 -6.826 -6.312 3.658 1.00 0.00 C ATOM 487 O GLN A 32 -7.361 -5.440 4.343 1.00 0.00 O ATOM 488 CB GLN A 32 -7.386 -8.702 4.156 1.00 0.00 C ATOM 489 CG GLN A 32 -7.869 -8.421 5.572 1.00 0.00 C ATOM 490 CD GLN A 32 -9.377 -8.219 5.681 1.00 0.00 C ATOM 491 OE1 GLN A 32 -10.113 -8.476 4.601 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -9.880 -7.850 6.742 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.594 -8.734 1.793 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.665 -7.303 3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.906 -9.580 3.772 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.324 -8.947 4.186 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.576 -9.249 6.217 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.365 -7.531 5.948 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.286 -7.662 7.550 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.891 -7.732 6.814 1.00 0.00 H new ATOM 501 N PHE A 33 -5.559 -6.259 3.267 1.00 0.00 N ATOM 502 CA PHE A 33 -4.680 -5.154 3.620 1.00 0.00 C ATOM 503 C PHE A 33 -5.281 -3.819 3.175 1.00 0.00 C ATOM 504 O PHE A 33 -5.495 -2.920 3.986 1.00 0.00 O ATOM 505 CB PHE A 33 -3.311 -5.368 2.964 1.00 0.00 C ATOM 506 CG PHE A 33 -2.241 -4.445 3.465 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.699 -4.630 4.725 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.773 -3.396 2.682 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.713 -3.790 5.199 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.785 -2.554 3.156 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.257 -2.753 4.417 1.00 0.00 C ATOM 0 H PHE A 33 -5.114 -6.979 2.698 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.563 -5.124 4.703 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.996 -6.398 3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.412 -5.239 1.886 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.052 -5.441 5.344 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.185 -3.238 1.696 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.299 -3.946 6.184 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.426 -1.742 2.542 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.514 -2.095 4.789 1.00 0.00 H new ATOM 521 N PHE A 34 -5.558 -3.711 1.880 1.00 0.00 N ATOM 522 CA PHE A 34 -6.137 -2.493 1.314 1.00 0.00 C ATOM 523 C PHE A 34 -7.601 -2.345 1.690 1.00 0.00 C ATOM 524 O PHE A 34 -8.056 -1.250 2.019 1.00 0.00 O ATOM 525 CB PHE A 34 -5.941 -2.473 -0.198 1.00 0.00 C ATOM 526 CG PHE A 34 -4.488 -2.433 -0.560 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.632 -1.572 0.107 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.973 -3.264 -1.538 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.290 -1.541 -0.191 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.626 -3.231 -1.847 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.787 -2.370 -1.168 1.00 0.00 C ATOM 0 H PHE A 34 -5.391 -4.452 1.200 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.615 -1.635 1.738 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.403 -3.357 -0.638 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.447 -1.605 -0.621 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.024 -0.917 0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.627 -3.943 -2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.633 -0.868 0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.231 -3.877 -2.617 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.733 -2.347 -1.404 1.00 0.00 H new ATOM 541 N ASN A 35 -8.336 -3.447 1.665 1.00 0.00 N ATOM 542 CA ASN A 35 -9.746 -3.422 2.030 1.00 0.00 C ATOM 543 C ASN A 35 -9.928 -2.706 3.365 1.00 0.00 C ATOM 544 O ASN A 35 -10.898 -1.977 3.575 1.00 0.00 O ATOM 545 CB ASN A 35 -10.283 -4.849 2.133 1.00 0.00 C ATOM 546 CG ASN A 35 -11.713 -4.899 2.628 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.022 -4.428 3.723 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.589 -5.475 1.824 1.00 0.00 N ATOM 0 H ASN A 35 -7.983 -4.366 1.397 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.300 -2.886 1.260 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.224 -5.327 1.155 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.649 -5.424 2.808 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.568 -5.543 2.102 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.286 -5.851 0.926 1.00 0.00 H new ATOM 555 N ASP A 36 -8.976 -2.934 4.260 1.00 0.00 N ATOM 556 CA ASP A 36 -9.001 -2.331 5.587 1.00 0.00 C ATOM 557 C ASP A 36 -8.193 -1.035 5.659 1.00 0.00 C ATOM 558 O ASP A 36 -8.452 -0.196 6.521 1.00 0.00 O ATOM 559 CB ASP A 36 -8.490 -3.324 6.632 1.00 0.00 C ATOM 560 CG ASP A 36 -9.345 -4.576 6.706 1.00 0.00 C ATOM 561 OD1 ASP A 36 -9.455 -5.279 5.680 1.00 0.00 O ATOM 562 OD2 ASP A 36 -9.903 -4.850 7.789 1.00 0.00 O ATOM 0 H ASP A 36 -8.171 -3.537 4.090 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.039 -2.077 5.799 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.463 -3.602 6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.471 -2.842 7.609 1.00 0.00 H new ATOM 567 N ASN A 37 -7.232 -0.848 4.754 1.00 0.00 N ATOM 568 CA ASN A 37 -6.445 0.383 4.759 1.00 0.00 C ATOM 569 C ASN A 37 -7.241 1.496 4.096 1.00 0.00 C ATOM 570 O ASN A 37 -7.336 2.601 4.624 1.00 0.00 O ATOM 571 CB ASN A 37 -5.106 0.205 4.033 1.00 0.00 C ATOM 572 CG ASN A 37 -4.142 -0.693 4.780 1.00 0.00 C ATOM 573 OD1 ASN A 37 -3.440 -1.553 4.046 1.00 0.00 O flip ATOM 574 ND2 ASN A 37 -4.000 -0.594 5.998 1.00 0.00 N flip ATOM 0 H ASN A 37 -6.984 -1.516 4.024 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.230 0.640 5.796 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.289 -0.212 3.043 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.645 1.182 3.888 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.558 0.079 6.524 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.324 -1.184 6.482 1.00 0.00 H new ATOM 581 N GLY A 38 -7.815 1.165 2.938 1.00 0.00 N ATOM 582 CA GLY A 38 -8.625 2.090 2.160 1.00 0.00 C ATOM 583 C GLY A 38 -8.889 3.438 2.809 1.00 0.00 C ATOM 584 O GLY A 38 -7.966 4.215 3.059 1.00 0.00 O ATOM 0 H GLY A 38 -7.727 0.241 2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.133 2.258 1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.583 1.616 1.947 1.00 0.00 H new ATOM 588 N VAL A 39 -10.166 3.740 3.005 1.00 0.00 N ATOM 589 CA VAL A 39 -10.574 5.033 3.547 1.00 0.00 C ATOM 590 C VAL A 39 -11.170 4.957 4.952 1.00 0.00 C ATOM 591 O VAL A 39 -11.617 5.974 5.483 1.00 0.00 O ATOM 592 CB VAL A 39 -11.621 5.675 2.628 1.00 0.00 C ATOM 593 CG1 VAL A 39 -11.951 7.092 3.079 1.00 0.00 C ATOM 594 CG2 VAL A 39 -11.148 5.659 1.181 1.00 0.00 C ATOM 0 H VAL A 39 -10.939 3.108 2.797 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.662 5.627 3.605 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.535 5.085 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.696 7.523 2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.347 7.068 4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.047 7.701 3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.905 6.119 0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.216 6.217 1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.984 4.629 0.863 1.00 0.00 H new ATOM 604 N ASP A 40 -11.191 3.784 5.563 1.00 0.00 N ATOM 605 CA ASP A 40 -11.755 3.657 6.907 1.00 0.00 C ATOM 606 C ASP A 40 -10.764 3.029 7.887 1.00 0.00 C ATOM 607 O ASP A 40 -11.145 2.621 8.985 1.00 0.00 O ATOM 608 CB ASP A 40 -13.036 2.821 6.863 1.00 0.00 C ATOM 609 CG ASP A 40 -14.102 3.442 5.982 1.00 0.00 C ATOM 610 OD1 ASP A 40 -14.519 4.583 6.270 1.00 0.00 O ATOM 611 OD2 ASP A 40 -14.519 2.789 5.002 1.00 0.00 O ATOM 0 H ASP A 40 -10.832 2.917 5.163 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.982 4.663 7.261 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.802 1.822 6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.426 2.706 7.874 1.00 0.00 H new ATOM 616 N GLY A 41 -9.496 2.946 7.493 1.00 0.00 N ATOM 617 CA GLY A 41 -8.491 2.356 8.362 1.00 0.00 C ATOM 618 C GLY A 41 -7.952 3.332 9.394 1.00 0.00 C ATOM 619 O GLY A 41 -8.302 4.512 9.389 1.00 0.00 O ATOM 0 H GLY A 41 -9.147 3.275 6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.921 1.495 8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.665 1.985 7.754 1.00 0.00 H new ATOM 623 N GLU A 42 -7.087 2.832 10.275 1.00 0.00 N ATOM 624 CA GLU A 42 -6.481 3.658 11.317 1.00 0.00 C ATOM 625 C GLU A 42 -5.094 4.116 10.883 1.00 0.00 C ATOM 626 O GLU A 42 -4.131 3.348 10.935 1.00 0.00 O ATOM 627 CB GLU A 42 -6.387 2.879 12.630 1.00 0.00 C ATOM 628 CG GLU A 42 -7.734 2.406 13.156 1.00 0.00 C ATOM 629 CD GLU A 42 -7.616 1.626 14.452 1.00 0.00 C ATOM 630 OE1 GLU A 42 -6.479 1.454 14.942 1.00 0.00 O ATOM 631 OE2 GLU A 42 -8.661 1.188 14.978 1.00 0.00 O ATOM 0 H GLU A 42 -6.790 1.856 10.287 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.111 4.533 11.475 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.740 2.014 12.484 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.913 3.509 13.383 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.381 3.269 13.314 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.214 1.781 12.403 1.00 0.00 H new ATOM 638 N TRP A 43 -5.000 5.360 10.427 1.00 0.00 N ATOM 639 CA TRP A 43 -3.733 5.906 9.952 1.00 0.00 C ATOM 640 C TRP A 43 -3.031 6.756 11.006 1.00 0.00 C ATOM 641 O TRP A 43 -3.568 7.764 11.465 1.00 0.00 O ATOM 642 CB TRP A 43 -3.968 6.765 8.712 1.00 0.00 C ATOM 643 CG TRP A 43 -4.553 6.024 7.550 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.282 4.868 7.574 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.456 6.408 6.179 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.643 4.514 6.294 1.00 0.00 N ATOM 647 CE2 TRP A 43 -5.146 5.446 5.422 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.848 7.478 5.522 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -5.245 5.523 4.036 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.945 7.556 4.150 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.640 6.583 3.417 1.00 0.00 C ATOM 0 H TRP A 43 -5.785 6.009 10.376 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.092 5.056 9.719 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.633 7.588 8.975 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.020 7.207 8.406 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.537 4.314 8.466 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.191 3.693 6.037 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.311 8.232 6.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.779 4.774 3.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -3.478 8.380 3.630 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.699 6.672 2.342 1.00 0.00 H new ATOM 662 N THR A 44 -1.815 6.357 11.365 1.00 0.00 N ATOM 663 CA THR A 44 -1.019 7.096 12.337 1.00 0.00 C ATOM 664 C THR A 44 0.062 7.897 11.613 1.00 0.00 C ATOM 665 O THR A 44 0.731 7.381 10.718 1.00 0.00 O ATOM 666 CB THR A 44 -0.380 6.139 13.345 1.00 0.00 C ATOM 667 OG1 THR A 44 0.460 5.206 12.687 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.392 5.357 14.152 1.00 0.00 C ATOM 0 H THR A 44 -1.359 5.523 10.996 1.00 0.00 H new ATOM 0 HA THR A 44 -1.671 7.781 12.879 1.00 0.00 H new ATOM 0 HB THR A 44 0.190 6.773 14.025 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.225 5.168 11.736 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.872 4.698 14.847 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.024 6.048 14.711 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.011 4.761 13.481 1.00 0.00 H new ATOM 676 N TYR A 45 0.222 9.163 11.989 1.00 0.00 N ATOM 677 CA TYR A 45 1.214 10.025 11.352 1.00 0.00 C ATOM 678 C TYR A 45 2.413 10.267 12.264 1.00 0.00 C ATOM 679 O TYR A 45 2.261 10.460 13.469 1.00 0.00 O ATOM 680 CB TYR A 45 0.578 11.363 10.962 1.00 0.00 C ATOM 681 CG TYR A 45 1.534 12.321 10.285 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.484 11.864 9.380 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.484 13.685 10.549 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.357 12.737 8.759 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.353 14.564 9.932 1.00 0.00 C ATOM 686 CZ TYR A 45 3.288 14.086 9.039 1.00 0.00 C ATOM 687 OH TYR A 45 4.156 14.958 8.422 1.00 0.00 O ATOM 0 H TYR A 45 -0.319 9.613 12.727 1.00 0.00 H new ATOM 0 HA TYR A 45 1.569 9.517 10.455 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.264 11.174 10.296 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.176 11.838 11.857 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.541 10.809 9.158 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.753 14.064 11.248 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.090 12.365 8.058 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.300 15.621 10.148 1.00 0.00 H new ATOM 0 HH TYR A 45 3.975 15.871 8.728 1.00 0.00 H new ATOM 697 N ASP A 46 3.606 10.267 11.673 1.00 0.00 N ATOM 698 CA ASP A 46 4.834 10.497 12.424 1.00 0.00 C ATOM 699 C ASP A 46 5.605 11.680 11.842 1.00 0.00 C ATOM 700 O ASP A 46 6.543 11.502 11.066 1.00 0.00 O ATOM 701 CB ASP A 46 5.710 9.242 12.410 1.00 0.00 C ATOM 702 CG ASP A 46 6.990 9.418 13.203 1.00 0.00 C ATOM 703 OD1 ASP A 46 7.787 10.314 12.853 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.196 8.660 14.174 1.00 0.00 O ATOM 0 H ASP A 46 3.746 10.110 10.675 1.00 0.00 H new ATOM 0 HA ASP A 46 4.567 10.728 13.455 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.145 8.404 12.819 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.957 8.987 11.379 1.00 0.00 H new ATOM 709 N ASP A 47 5.193 12.887 12.219 1.00 0.00 N ATOM 710 CA ASP A 47 5.832 14.109 11.733 1.00 0.00 C ATOM 711 C ASP A 47 7.352 14.030 11.854 1.00 0.00 C ATOM 712 O ASP A 47 8.080 14.557 11.011 1.00 0.00 O ATOM 713 CB ASP A 47 5.314 15.321 12.509 1.00 0.00 C ATOM 714 CG ASP A 47 3.815 15.498 12.372 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.069 14.574 12.759 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.385 16.560 11.876 1.00 0.00 O ATOM 0 H ASP A 47 4.417 13.047 12.862 1.00 0.00 H new ATOM 0 HA ASP A 47 5.580 14.218 10.678 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.569 15.210 13.563 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.817 16.220 12.152 1.00 0.00 H new ATOM 721 N ALA A 48 7.824 13.380 12.912 1.00 0.00 N ATOM 722 CA ALA A 48 9.256 13.244 13.157 1.00 0.00 C ATOM 723 C ALA A 48 10.002 12.742 11.922 1.00 0.00 C ATOM 724 O ALA A 48 11.169 13.076 11.714 1.00 0.00 O ATOM 725 CB ALA A 48 9.501 12.313 14.334 1.00 0.00 C ATOM 0 H ALA A 48 7.234 12.937 13.616 1.00 0.00 H new ATOM 0 HA ALA A 48 9.644 14.235 13.393 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.573 12.220 14.507 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.024 12.720 15.225 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.082 11.331 14.115 1.00 0.00 H new ATOM 731 N THR A 49 9.331 11.934 11.106 1.00 0.00 N ATOM 732 CA THR A 49 9.950 11.390 9.901 1.00 0.00 C ATOM 733 C THR A 49 9.106 11.662 8.656 1.00 0.00 C ATOM 734 O THR A 49 9.330 11.060 7.605 1.00 0.00 O ATOM 735 CB THR A 49 10.173 9.885 10.053 1.00 0.00 C ATOM 736 OG1 THR A 49 8.943 9.216 10.272 1.00 0.00 O ATOM 737 CG2 THR A 49 11.099 9.530 11.197 1.00 0.00 C ATOM 0 H THR A 49 8.365 11.643 11.255 1.00 0.00 H new ATOM 0 HA THR A 49 10.910 11.891 9.774 1.00 0.00 H new ATOM 0 HB THR A 49 10.636 9.565 9.120 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.552 9.520 11.118 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.214 8.447 11.249 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.073 9.991 11.033 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.677 9.895 12.133 1.00 0.00 H new ATOM 745 N LYS A 50 8.138 12.571 8.771 1.00 0.00 N ATOM 746 CA LYS A 50 7.273 12.908 7.641 1.00 0.00 C ATOM 747 C LYS A 50 6.728 11.638 6.991 1.00 0.00 C ATOM 748 O LYS A 50 6.630 11.542 5.765 1.00 0.00 O ATOM 749 CB LYS A 50 8.058 13.726 6.610 1.00 0.00 C ATOM 750 CG LYS A 50 8.706 14.974 7.189 1.00 0.00 C ATOM 751 CD LYS A 50 7.671 16.019 7.572 1.00 0.00 C ATOM 752 CE LYS A 50 7.046 16.662 6.344 1.00 0.00 C ATOM 753 NZ LYS A 50 5.994 17.651 6.709 1.00 0.00 N ATOM 0 H LYS A 50 7.934 13.084 9.629 1.00 0.00 H new ATOM 0 HA LYS A 50 6.435 13.501 8.007 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.831 13.096 6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.387 14.017 5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.294 14.705 8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.397 15.397 6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.892 15.556 8.178 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.139 16.787 8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.821 17.156 5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.613 15.888 5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.593 18.066 5.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.241 17.175 7.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.412 18.403 7.293 1.00 0.00 H new ATOM 767 N THR A 51 6.399 10.654 7.823 1.00 0.00 N ATOM 768 CA THR A 51 5.889 9.377 7.338 1.00 0.00 C ATOM 769 C THR A 51 4.507 9.072 7.913 1.00 0.00 C ATOM 770 O THR A 51 4.234 9.357 9.079 1.00 0.00 O ATOM 771 CB THR A 51 6.868 8.263 7.715 1.00 0.00 C ATOM 772 OG1 THR A 51 8.129 8.479 7.106 1.00 0.00 O ATOM 773 CG2 THR A 51 6.400 6.881 7.320 1.00 0.00 C ATOM 0 H THR A 51 6.477 10.718 8.838 1.00 0.00 H new ATOM 0 HA THR A 51 5.793 9.436 6.254 1.00 0.00 H new ATOM 0 HB THR A 51 6.937 8.302 8.802 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.488 9.344 7.395 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.146 6.145 7.620 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.454 6.662 7.815 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.262 6.839 6.240 1.00 0.00 H new ATOM 781 N PHE A 52 3.636 8.490 7.087 1.00 0.00 N ATOM 782 CA PHE A 52 2.287 8.152 7.530 1.00 0.00 C ATOM 783 C PHE A 52 2.099 6.646 7.681 1.00 0.00 C ATOM 784 O PHE A 52 1.794 5.940 6.721 1.00 0.00 O ATOM 785 CB PHE A 52 1.244 8.687 6.557 1.00 0.00 C ATOM 786 CG PHE A 52 1.248 10.183 6.415 1.00 0.00 C ATOM 787 CD1 PHE A 52 0.530 10.975 7.297 1.00 0.00 C ATOM 788 CD2 PHE A 52 1.965 10.794 5.400 1.00 0.00 C ATOM 789 CE1 PHE A 52 0.528 12.351 7.168 1.00 0.00 C ATOM 790 CE2 PHE A 52 1.966 12.169 5.266 1.00 0.00 C ATOM 791 CZ PHE A 52 1.246 12.948 6.151 1.00 0.00 C ATOM 0 H PHE A 52 3.840 8.246 6.118 1.00 0.00 H new ATOM 0 HA PHE A 52 2.152 8.620 8.505 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.413 8.239 5.578 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.256 8.367 6.888 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.034 10.512 8.093 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.529 10.189 4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.034 12.958 7.862 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.529 12.634 4.470 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.245 14.023 6.047 1.00 0.00 H new ATOM 801 N THR A 53 2.275 6.176 8.903 1.00 0.00 N ATOM 802 CA THR A 53 2.119 4.756 9.208 1.00 0.00 C ATOM 803 C THR A 53 0.652 4.354 9.282 1.00 0.00 C ATOM 804 O THR A 53 -0.147 4.983 9.973 1.00 0.00 O ATOM 805 CB THR A 53 2.832 4.369 10.504 1.00 0.00 C ATOM 806 OG1 THR A 53 2.690 5.378 11.488 1.00 0.00 O ATOM 807 CG2 THR A 53 4.305 4.070 10.317 1.00 0.00 C ATOM 0 H THR A 53 2.527 6.754 9.705 1.00 0.00 H new ATOM 0 HA THR A 53 2.585 4.212 8.386 1.00 0.00 H new ATOM 0 HB THR A 53 2.347 3.451 10.835 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.947 5.150 12.085 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.747 3.803 11.277 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.422 3.240 9.620 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.808 4.952 9.919 1.00 0.00 H new ATOM 815 N VAL A 54 0.322 3.284 8.572 1.00 0.00 N ATOM 816 CA VAL A 54 -1.032 2.754 8.550 1.00 0.00 C ATOM 817 C VAL A 54 -1.015 1.305 9.016 1.00 0.00 C ATOM 818 O VAL A 54 -0.243 0.494 8.506 1.00 0.00 O ATOM 819 CB VAL A 54 -1.653 2.834 7.141 1.00 0.00 C ATOM 820 CG1 VAL A 54 -3.082 2.310 7.151 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.608 4.263 6.620 1.00 0.00 C ATOM 0 H VAL A 54 0.983 2.761 7.998 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.642 3.360 9.220 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.066 2.205 6.471 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.501 2.376 6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.086 1.270 7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.684 2.908 7.835 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.050 4.301 5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.169 4.913 7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.572 4.600 6.570 1.00 0.00 H new ATOM 831 N THR A 55 -1.849 0.981 9.997 1.00 0.00 N ATOM 832 CA THR A 55 -1.887 -0.377 10.521 1.00 0.00 C ATOM 833 C THR A 55 -3.236 -1.038 10.273 1.00 0.00 C ATOM 834 O THR A 55 -4.280 -0.517 10.667 1.00 0.00 O ATOM 835 CB THR A 55 -1.561 -0.381 12.014 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.462 0.472 12.286 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.199 -1.755 12.533 1.00 0.00 C ATOM 0 H THR A 55 -2.499 1.630 10.440 1.00 0.00 H new ATOM 0 HA THR A 55 -1.132 -0.956 9.990 1.00 0.00 H new ATOM 0 HB THR A 55 -2.467 -0.037 12.514 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.268 0.459 13.246 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.978 -1.695 13.599 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.035 -2.436 12.374 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.323 -2.126 12.001 1.00 0.00 H new ATOM 845 N GLU A 56 -3.202 -2.192 9.614 1.00 0.00 N ATOM 846 CA GLU A 56 -4.416 -2.937 9.306 1.00 0.00 C ATOM 847 C GLU A 56 -5.146 -3.340 10.584 1.00 0.00 C ATOM 848 O GLU A 56 -4.467 -3.749 11.548 1.00 0.00 O ATOM 849 CB GLU A 56 -4.076 -4.182 8.482 1.00 0.00 C ATOM 850 CG GLU A 56 -5.286 -5.034 8.140 1.00 0.00 C ATOM 851 CD GLU A 56 -4.919 -6.287 7.368 1.00 0.00 C ATOM 852 OE1 GLU A 56 -4.122 -7.094 7.893 1.00 0.00 O ATOM 853 OE2 GLU A 56 -5.430 -6.464 6.243 1.00 0.00 O ATOM 854 OXT GLU A 56 -6.390 -3.240 10.608 1.00 0.00 O ATOM 0 H GLU A 56 -2.344 -2.632 9.282 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.074 -2.292 8.724 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.587 -3.874 7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.359 -4.789 9.035 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.799 -5.316 9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.988 -4.442 7.552 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 6.780 18.873 -1.650 1.00 0.00 N ATOM 863 CA MET B 1 7.254 17.986 -0.555 1.00 0.00 C ATOM 864 C MET B 1 6.870 16.532 -0.809 1.00 0.00 C ATOM 865 O MET B 1 5.747 16.235 -1.217 1.00 0.00 O ATOM 866 CB MET B 1 6.637 18.459 0.765 1.00 0.00 C ATOM 867 CG MET B 1 6.941 17.542 1.941 1.00 0.00 C ATOM 868 SD MET B 1 8.685 17.537 2.399 1.00 0.00 S ATOM 869 CE MET B 1 8.837 19.151 3.159 1.00 0.00 C ATOM 0 H1 MET B 1 7.057 19.854 -1.446 1.00 0.00 H new ATOM 0 H2 MET B 1 7.206 18.572 -2.550 1.00 0.00 H new ATOM 0 H3 MET B 1 5.744 18.814 -1.721 1.00 0.00 H new ATOM 0 HA MET B 1 8.342 18.040 -0.509 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.005 19.460 0.991 1.00 0.00 H new ATOM 0 HB3 MET B 1 5.556 18.536 0.645 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.346 17.853 2.800 1.00 0.00 H new ATOM 0 HG3 MET B 1 6.634 16.526 1.691 1.00 0.00 H new ATOM 0 HE1 MET B 1 9.775 19.206 3.711 1.00 0.00 H new ATOM 0 HE2 MET B 1 8.825 19.920 2.386 1.00 0.00 H new ATOM 0 HE3 MET B 1 8.004 19.311 3.843 1.00 0.00 H new ATOM 881 N GLN B 2 7.806 15.630 -0.542 1.00 0.00 N ATOM 882 CA GLN B 2 7.570 14.205 -0.714 1.00 0.00 C ATOM 883 C GLN B 2 7.299 13.559 0.639 1.00 0.00 C ATOM 884 O GLN B 2 7.936 13.899 1.636 1.00 0.00 O ATOM 885 CB GLN B 2 8.771 13.537 -1.385 1.00 0.00 C ATOM 886 CG GLN B 2 8.591 12.043 -1.605 1.00 0.00 C ATOM 887 CD GLN B 2 9.789 11.404 -2.277 1.00 0.00 C ATOM 888 OE1 GLN B 2 10.902 11.442 -1.753 1.00 0.00 O ATOM 889 NE2 GLN B 2 9.565 10.809 -3.444 1.00 0.00 N ATOM 0 H GLN B 2 8.740 15.863 -0.204 1.00 0.00 H new ATOM 0 HA GLN B 2 6.699 14.071 -1.356 1.00 0.00 H new ATOM 0 HB2 GLN B 2 8.954 14.018 -2.346 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.657 13.702 -0.772 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.415 11.557 -0.645 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.704 11.874 -2.215 1.00 0.00 H new ATOM 0 HE21 GLN B 2 8.625 10.802 -3.841 1.00 0.00 H new ATOM 0 HE22 GLN B 2 10.333 10.359 -3.943 1.00 0.00 H new ATOM 898 N TYR B 3 6.353 12.632 0.673 1.00 0.00 N ATOM 899 CA TYR B 3 6.004 11.948 1.913 1.00 0.00 C ATOM 900 C TYR B 3 6.089 10.439 1.747 1.00 0.00 C ATOM 901 O TYR B 3 5.730 9.899 0.701 1.00 0.00 O ATOM 902 CB TYR B 3 4.598 12.352 2.362 1.00 0.00 C ATOM 903 CG TYR B 3 4.475 13.817 2.714 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.368 14.786 1.724 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.469 14.232 4.041 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.260 16.125 2.045 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.360 15.570 4.369 1.00 0.00 C ATOM 908 CZ TYR B 3 4.256 16.512 3.367 1.00 0.00 C ATOM 909 OH TYR B 3 4.150 17.845 3.691 1.00 0.00 O ATOM 0 H TYR B 3 5.814 12.336 -0.140 1.00 0.00 H new ATOM 0 HA TYR B 3 6.721 12.246 2.678 1.00 0.00 H new ATOM 0 HB2 TYR B 3 3.890 12.117 1.567 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.316 11.753 3.228 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.369 14.487 0.686 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.551 13.497 4.828 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.179 16.865 1.263 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.356 15.876 5.405 1.00 0.00 H new ATOM 0 HH TYR B 3 3.924 17.934 4.640 1.00 0.00 H new ATOM 919 N LYS B 4 6.564 9.761 2.785 1.00 0.00 N ATOM 920 CA LYS B 4 6.692 8.309 2.756 1.00 0.00 C ATOM 921 C LYS B 4 5.673 7.664 3.684 1.00 0.00 C ATOM 922 O LYS B 4 5.759 7.797 4.902 1.00 0.00 O ATOM 923 CB LYS B 4 8.108 7.888 3.160 1.00 0.00 C ATOM 924 CG LYS B 4 8.304 6.380 3.200 1.00 0.00 C ATOM 925 CD LYS B 4 9.707 6.009 3.659 1.00 0.00 C ATOM 926 CE LYS B 4 10.772 6.540 2.710 1.00 0.00 C ATOM 927 NZ LYS B 4 10.673 5.925 1.357 1.00 0.00 N ATOM 0 H LYS B 4 6.867 10.194 3.658 1.00 0.00 H new ATOM 0 HA LYS B 4 6.502 7.970 1.738 1.00 0.00 H new ATOM 0 HB2 LYS B 4 8.821 8.321 2.459 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.335 8.302 4.142 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.571 5.935 3.873 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.122 5.963 2.210 1.00 0.00 H new ATOM 0 HD2 LYS B 4 9.880 6.408 4.659 1.00 0.00 H new ATOM 0 HD3 LYS B 4 9.791 4.925 3.730 1.00 0.00 H new ATOM 0 HE2 LYS B 4 10.673 7.622 2.624 1.00 0.00 H new ATOM 0 HE3 LYS B 4 11.760 6.342 3.127 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 10.813 6.657 0.632 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 11.404 5.192 1.255 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 9.733 5.496 1.239 1.00 0.00 H new ATOM 941 N VAL B 5 4.703 6.972 3.104 1.00 0.00 N ATOM 942 CA VAL B 5 3.668 6.321 3.892 1.00 0.00 C ATOM 943 C VAL B 5 4.028 4.865 4.172 1.00 0.00 C ATOM 944 O VAL B 5 4.291 4.086 3.258 1.00 0.00 O ATOM 945 CB VAL B 5 2.296 6.391 3.186 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.207 5.758 4.044 1.00 0.00 C ATOM 947 CG2 VAL B 5 1.944 7.834 2.848 1.00 0.00 C ATOM 0 H VAL B 5 4.611 6.847 2.096 1.00 0.00 H new ATOM 0 HA VAL B 5 3.599 6.857 4.839 1.00 0.00 H new ATOM 0 HB VAL B 5 2.363 5.825 2.257 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.251 5.821 3.524 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.452 4.712 4.229 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.138 6.288 4.994 1.00 0.00 H new ATOM 0 HG21 VAL B 5 0.974 7.865 2.351 1.00 0.00 H new ATOM 0 HG22 VAL B 5 1.901 8.422 3.765 1.00 0.00 H new ATOM 0 HG23 VAL B 5 2.704 8.249 2.186 1.00 0.00 H new ATOM 957 N ILE B 6 4.031 4.515 5.452 1.00 0.00 N ATOM 958 CA ILE B 6 4.351 3.158 5.874 1.00 0.00 C ATOM 959 C ILE B 6 3.079 2.339 6.053 1.00 0.00 C ATOM 960 O ILE B 6 2.187 2.712 6.816 1.00 0.00 O ATOM 961 CB ILE B 6 5.173 3.154 7.183 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.578 3.698 6.921 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.251 1.754 7.774 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.407 3.858 8.176 1.00 0.00 C ATOM 0 H ILE B 6 3.815 5.154 6.217 1.00 0.00 H new ATOM 0 HA ILE B 6 4.958 2.704 5.091 1.00 0.00 H new ATOM 0 HB ILE B 6 4.671 3.798 7.905 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.097 3.028 6.236 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.498 4.664 6.422 1.00 0.00 H new ATOM 0 HG21 ILE B 6 5.835 1.779 8.694 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.245 1.395 7.992 1.00 0.00 H new ATOM 0 HG23 ILE B 6 5.729 1.084 7.060 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.391 4.248 7.915 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.910 4.552 8.854 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.518 2.890 8.664 1.00 0.00 H new ATOM 976 N LEU B 7 3.000 1.231 5.333 1.00 0.00 N ATOM 977 CA LEU B 7 1.835 0.361 5.393 1.00 0.00 C ATOM 978 C LEU B 7 2.138 -0.872 6.242 1.00 0.00 C ATOM 979 O LEU B 7 2.506 -1.924 5.721 1.00 0.00 O ATOM 980 CB LEU B 7 1.425 -0.039 3.973 1.00 0.00 C ATOM 981 CG LEU B 7 1.529 1.082 2.941 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.014 0.612 1.589 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.774 2.314 3.419 1.00 0.00 C ATOM 0 H LEU B 7 3.732 0.912 4.698 1.00 0.00 H new ATOM 0 HA LEU B 7 1.007 0.894 5.860 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.050 -0.872 3.650 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.397 -0.401 3.994 1.00 0.00 H new ATOM 0 HG LEU B 7 2.578 1.353 2.824 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.096 1.424 0.866 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.607 -0.237 1.249 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.030 0.312 1.681 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.857 3.104 2.673 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.276 2.063 3.566 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.200 2.659 4.361 1.00 0.00 H new ATOM 995 N ASN B 8 1.996 -0.722 7.558 1.00 0.00 N ATOM 996 CA ASN B 8 2.271 -1.811 8.493 1.00 0.00 C ATOM 997 C ASN B 8 1.021 -2.628 8.806 1.00 0.00 C ATOM 998 O ASN B 8 0.147 -2.182 9.540 1.00 0.00 O ATOM 999 CB ASN B 8 2.858 -1.260 9.797 1.00 0.00 C ATOM 1000 CG ASN B 8 4.285 -0.747 9.660 1.00 0.00 C ATOM 1001 OD1 ASN B 8 4.882 -0.907 8.481 1.00 0.00 O flip ATOM 1002 ND2 ASN B 8 4.852 -0.217 10.615 1.00 0.00 N flip ATOM 0 H ASN B 8 1.692 0.145 8.001 1.00 0.00 H new ATOM 0 HA ASN B 8 2.994 -2.470 8.011 1.00 0.00 H new ATOM 0 HB2 ASN B 8 2.224 -0.450 10.156 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.835 -2.043 10.555 1.00 0.00 H new ATOM 0 HD21 ASN B 8 4.363 -0.111 11.504 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.811 0.117 10.518 1.00 0.00 H new ATOM 1009 N GLY B 9 0.954 -3.838 8.266 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.186 -4.699 8.522 1.00 0.00 C ATOM 1011 C GLY B 9 0.192 -5.907 9.355 1.00 0.00 C ATOM 1012 O GLY B 9 1.311 -5.995 9.858 1.00 0.00 O ATOM 0 H GLY B 9 1.667 -4.239 7.656 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.961 -4.131 9.037 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.610 -5.030 7.574 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.741 -6.840 9.498 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.490 -8.047 10.272 1.00 0.00 C ATOM 1018 C LYS B 10 0.329 -9.044 9.459 1.00 0.00 C ATOM 1019 O LYS B 10 1.388 -9.498 9.895 1.00 0.00 O ATOM 1020 CB LYS B 10 -1.812 -8.686 10.707 1.00 0.00 C ATOM 1021 CG LYS B 10 -2.670 -7.776 11.571 1.00 0.00 C ATOM 1022 CD LYS B 10 -3.958 -8.464 11.998 1.00 0.00 C ATOM 1023 CE LYS B 10 -4.804 -8.864 10.800 1.00 0.00 C ATOM 1024 NZ LYS B 10 -6.067 -9.535 11.211 1.00 0.00 N ATOM 0 H LYS B 10 -1.674 -6.784 9.090 1.00 0.00 H new ATOM 0 HA LYS B 10 0.078 -7.772 11.161 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.378 -8.971 9.820 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.600 -9.602 11.258 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -2.107 -7.475 12.454 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -2.908 -6.867 11.019 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -3.720 -9.349 12.587 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -4.531 -7.797 12.642 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -5.039 -7.978 10.210 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -4.230 -9.532 10.158 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -6.615 -9.792 10.365 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -5.843 -10.394 11.753 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -6.627 -8.889 11.803 1.00 0.00 H new ATOM 1038 N THR B 11 -0.172 -9.381 8.276 1.00 0.00 N ATOM 1039 CA THR B 11 0.491 -10.320 7.390 1.00 0.00 C ATOM 1040 C THR B 11 1.144 -9.597 6.221 1.00 0.00 C ATOM 1041 O THR B 11 1.696 -10.227 5.319 1.00 0.00 O ATOM 1042 CB THR B 11 -0.529 -11.326 6.864 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.726 -10.667 6.494 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.888 -12.402 7.862 1.00 0.00 C ATOM 0 H THR B 11 -1.048 -9.010 7.908 1.00 0.00 H new ATOM 0 HA THR B 11 1.269 -10.837 7.951 1.00 0.00 H new ATOM 0 HB THR B 11 -0.051 -11.801 6.007 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.496 -11.210 6.766 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.617 -13.080 7.419 1.00 0.00 H new ATOM 0 HG22 THR B 11 0.008 -12.960 8.134 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.314 -11.943 8.754 1.00 0.00 H new ATOM 1052 N LEU B 12 1.070 -8.270 6.232 1.00 0.00 N ATOM 1053 CA LEU B 12 1.646 -7.475 5.165 1.00 0.00 C ATOM 1054 C LEU B 12 2.368 -6.251 5.716 1.00 0.00 C ATOM 1055 O LEU B 12 1.885 -5.589 6.633 1.00 0.00 O ATOM 1056 CB LEU B 12 0.550 -7.055 4.183 1.00 0.00 C ATOM 1057 CG LEU B 12 1.021 -6.197 3.015 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.241 -6.827 2.370 1.00 0.00 C ATOM 1059 CD2 LEU B 12 -0.096 -6.020 1.997 1.00 0.00 C ATOM 0 H LEU B 12 0.617 -7.728 6.968 1.00 0.00 H new ATOM 0 HA LEU B 12 2.382 -8.084 4.641 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.076 -7.953 3.786 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.216 -6.506 4.731 1.00 0.00 H new ATOM 0 HG LEU B 12 1.294 -5.211 3.390 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.572 -6.208 1.536 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.042 -6.904 3.105 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.987 -7.822 2.005 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.259 -5.405 1.170 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.401 -6.995 1.618 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.948 -5.533 2.472 1.00 0.00 H new ATOM 1071 N LYS B 13 3.527 -5.958 5.139 1.00 0.00 N ATOM 1072 CA LYS B 13 4.327 -4.810 5.555 1.00 0.00 C ATOM 1073 C LYS B 13 5.033 -4.196 4.352 1.00 0.00 C ATOM 1074 O LYS B 13 5.435 -4.910 3.436 1.00 0.00 O ATOM 1075 CB LYS B 13 5.353 -5.230 6.610 1.00 0.00 C ATOM 1076 CG LYS B 13 4.727 -5.799 7.873 1.00 0.00 C ATOM 1077 CD LYS B 13 5.785 -6.204 8.886 1.00 0.00 C ATOM 1078 CE LYS B 13 5.160 -6.766 10.152 1.00 0.00 C ATOM 1079 NZ LYS B 13 4.328 -7.970 9.876 1.00 0.00 N ATOM 0 H LYS B 13 3.936 -6.501 4.379 1.00 0.00 H new ATOM 0 HA LYS B 13 3.663 -4.064 5.992 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.022 -5.975 6.178 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.965 -4.367 6.874 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.062 -5.058 8.316 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.115 -6.664 7.619 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.446 -6.949 8.444 1.00 0.00 H new ATOM 0 HD3 LYS B 13 6.400 -5.340 9.136 1.00 0.00 H new ATOM 0 HE2 LYS B 13 5.947 -7.024 10.861 1.00 0.00 H new ATOM 0 HE3 LYS B 13 4.544 -6.000 10.623 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 4.116 -8.458 10.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 3.439 -7.681 9.421 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 4.847 -8.613 9.245 1.00 0.00 H new ATOM 1093 N GLY B 14 5.182 -2.875 4.350 1.00 0.00 N ATOM 1094 CA GLY B 14 5.841 -2.222 3.236 1.00 0.00 C ATOM 1095 C GLY B 14 6.035 -0.735 3.438 1.00 0.00 C ATOM 1096 O GLY B 14 5.690 -0.188 4.486 1.00 0.00 O ATOM 0 H GLY B 14 4.862 -2.252 5.091 1.00 0.00 H new ATOM 0 HA2 GLY B 14 6.813 -2.689 3.075 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.255 -2.385 2.331 1.00 0.00 H new ATOM 1100 N GLU B 15 6.583 -0.079 2.417 1.00 0.00 N ATOM 1101 CA GLU B 15 6.822 1.358 2.458 1.00 0.00 C ATOM 1102 C GLU B 15 6.466 1.990 1.118 1.00 0.00 C ATOM 1103 O GLU B 15 6.805 1.461 0.059 1.00 0.00 O ATOM 1104 CB GLU B 15 8.286 1.662 2.798 1.00 0.00 C ATOM 1105 CG GLU B 15 8.725 1.169 4.169 1.00 0.00 C ATOM 1106 CD GLU B 15 8.826 -0.342 4.250 1.00 0.00 C ATOM 1107 OE1 GLU B 15 9.581 -0.930 3.448 1.00 0.00 O ATOM 1108 OE2 GLU B 15 8.154 -0.936 5.119 1.00 0.00 O ATOM 0 H GLU B 15 6.871 -0.526 1.546 1.00 0.00 H new ATOM 0 HA GLU B 15 6.189 1.782 3.237 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.925 1.209 2.040 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.443 2.739 2.745 1.00 0.00 H new ATOM 0 HG2 GLU B 15 9.693 1.606 4.414 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.017 1.521 4.920 1.00 0.00 H new ATOM 1115 N THR B 16 5.781 3.124 1.173 1.00 0.00 N ATOM 1116 CA THR B 16 5.373 3.833 -0.034 1.00 0.00 C ATOM 1117 C THR B 16 5.656 5.328 0.088 1.00 0.00 C ATOM 1118 O THR B 16 5.938 5.826 1.177 1.00 0.00 O ATOM 1119 CB THR B 16 3.893 3.571 -0.324 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.370 4.570 -1.161 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.028 3.506 0.916 1.00 0.00 C ATOM 0 H THR B 16 5.495 3.574 2.042 1.00 0.00 H new ATOM 0 HA THR B 16 5.959 3.457 -0.873 1.00 0.00 H new ATOM 0 HB THR B 16 3.866 2.593 -0.805 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.520 4.265 -1.543 1.00 0.00 H new ATOM 0 HG21 THR B 16 1.994 3.318 0.629 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.378 2.700 1.562 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.089 4.453 1.452 1.00 0.00 H new ATOM 1129 N THR B 17 5.607 6.039 -1.040 1.00 0.00 N ATOM 1130 CA THR B 17 5.888 7.473 -1.040 1.00 0.00 C ATOM 1131 C THR B 17 5.012 8.257 -2.022 1.00 0.00 C ATOM 1132 O THR B 17 5.067 8.043 -3.232 1.00 0.00 O ATOM 1133 CB THR B 17 7.359 7.712 -1.378 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.685 7.139 -2.632 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.313 7.141 -0.351 1.00 0.00 C ATOM 0 H THR B 17 5.378 5.650 -1.955 1.00 0.00 H new ATOM 0 HA THR B 17 5.658 7.837 -0.039 1.00 0.00 H new ATOM 0 HB THR B 17 7.477 8.795 -1.395 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.890 7.130 -3.204 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.340 7.347 -0.654 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.122 7.601 0.619 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.166 6.064 -0.277 1.00 0.00 H new ATOM 1143 N THR B 18 4.231 9.189 -1.479 1.00 0.00 N ATOM 1144 CA THR B 18 3.361 10.048 -2.282 1.00 0.00 C ATOM 1145 C THR B 18 3.940 11.464 -2.319 1.00 0.00 C ATOM 1146 O THR B 18 4.533 11.920 -1.343 1.00 0.00 O ATOM 1147 CB THR B 18 1.949 10.077 -1.689 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.073 10.809 -2.527 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.888 10.699 -0.308 1.00 0.00 C ATOM 0 H THR B 18 4.183 9.370 -0.476 1.00 0.00 H new ATOM 0 HA THR B 18 3.304 9.651 -3.296 1.00 0.00 H new ATOM 0 HB THR B 18 1.647 9.033 -1.611 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.335 10.684 -3.463 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.859 10.687 0.051 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.518 10.130 0.376 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.243 11.728 -0.357 1.00 0.00 H new ATOM 1157 N GLU B 19 3.771 12.155 -3.439 1.00 0.00 N ATOM 1158 CA GLU B 19 4.287 13.515 -3.578 1.00 0.00 C ATOM 1159 C GLU B 19 3.149 14.529 -3.561 1.00 0.00 C ATOM 1160 O GLU B 19 2.265 14.495 -4.417 1.00 0.00 O ATOM 1161 CB GLU B 19 5.086 13.650 -4.875 1.00 0.00 C ATOM 1162 CG GLU B 19 5.681 15.033 -5.082 1.00 0.00 C ATOM 1163 CD GLU B 19 6.485 15.140 -6.364 1.00 0.00 C ATOM 1164 OE1 GLU B 19 6.578 14.131 -7.094 1.00 0.00 O ATOM 1165 OE2 GLU B 19 7.023 16.234 -6.637 1.00 0.00 O ATOM 0 H GLU B 19 3.283 11.800 -4.262 1.00 0.00 H new ATOM 0 HA GLU B 19 4.945 13.717 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.890 12.914 -4.875 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.437 13.413 -5.718 1.00 0.00 H new ATOM 0 HG2 GLU B 19 4.878 15.770 -5.099 1.00 0.00 H new ATOM 0 HG3 GLU B 19 6.322 15.279 -4.235 1.00 0.00 H new ATOM 1172 N ALA B 20 3.167 15.430 -2.578 1.00 0.00 N ATOM 1173 CA ALA B 20 2.124 16.442 -2.463 1.00 0.00 C ATOM 1174 C ALA B 20 2.650 17.737 -1.848 1.00 0.00 C ATOM 1175 O ALA B 20 3.614 17.734 -1.083 1.00 0.00 O ATOM 1176 CB ALA B 20 0.962 15.903 -1.644 1.00 0.00 C ATOM 0 H ALA B 20 3.887 15.478 -1.857 1.00 0.00 H new ATOM 0 HA ALA B 20 1.779 16.676 -3.470 1.00 0.00 H new ATOM 0 HB1 ALA B 20 0.188 16.667 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.551 15.020 -2.133 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.313 15.636 -0.647 1.00 0.00 H new ATOM 1182 N VAL B 21 2.011 18.844 -2.214 1.00 0.00 N ATOM 1183 CA VAL B 21 2.402 20.168 -1.734 1.00 0.00 C ATOM 1184 C VAL B 21 2.533 20.201 -0.211 1.00 0.00 C ATOM 1185 O VAL B 21 3.303 20.992 0.336 1.00 0.00 O ATOM 1186 CB VAL B 21 1.379 21.236 -2.163 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.888 22.631 -1.831 1.00 0.00 C ATOM 1188 CG2 VAL B 21 1.062 21.109 -3.644 1.00 0.00 C ATOM 0 H VAL B 21 1.212 18.851 -2.848 1.00 0.00 H new ATOM 0 HA VAL B 21 3.372 20.387 -2.180 1.00 0.00 H new ATOM 0 HB VAL B 21 0.457 21.073 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL B 21 1.151 23.371 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL B 21 2.053 22.712 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.826 22.811 -2.356 1.00 0.00 H new ATOM 0 HG21 VAL B 21 0.337 21.872 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.975 21.242 -4.224 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.646 20.122 -3.844 1.00 0.00 H new ATOM 1198 N ASP B 22 1.786 19.338 0.468 1.00 0.00 N ATOM 1199 CA ASP B 22 1.835 19.276 1.927 1.00 0.00 C ATOM 1200 C ASP B 22 1.459 17.892 2.439 1.00 0.00 C ATOM 1201 O ASP B 22 1.075 17.013 1.667 1.00 0.00 O ATOM 1202 CB ASP B 22 0.921 20.338 2.545 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.476 20.312 1.966 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -0.618 20.580 0.755 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.428 20.023 2.720 1.00 0.00 O ATOM 0 H ASP B 22 1.142 18.675 0.036 1.00 0.00 H new ATOM 0 HA ASP B 22 2.862 19.478 2.230 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.867 20.183 3.622 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.357 21.324 2.387 1.00 0.00 H new ATOM 1210 N ALA B 23 1.578 17.702 3.751 1.00 0.00 N ATOM 1211 CA ALA B 23 1.259 16.423 4.370 1.00 0.00 C ATOM 1212 C ALA B 23 -0.186 16.029 4.113 1.00 0.00 C ATOM 1213 O ALA B 23 -0.477 14.875 3.801 1.00 0.00 O ATOM 1214 CB ALA B 23 1.545 16.475 5.864 1.00 0.00 C ATOM 0 H ALA B 23 1.893 18.419 4.404 1.00 0.00 H new ATOM 0 HA ALA B 23 1.894 15.661 3.918 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.302 15.513 6.315 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.600 16.695 6.025 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.938 17.254 6.324 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.090 16.991 4.235 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.503 16.731 4.002 1.00 0.00 C ATOM 1222 C ALA B 24 -2.721 16.288 2.565 1.00 0.00 C ATOM 1223 O ALA B 24 -3.263 15.213 2.314 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.337 17.963 4.320 1.00 0.00 C ATOM 0 H ALA B 24 -0.872 17.953 4.493 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.824 15.929 4.666 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.390 17.746 4.139 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.198 18.237 5.366 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.022 18.790 3.683 1.00 0.00 H new ATOM 1230 N THR B 25 -2.265 17.105 1.618 1.00 0.00 N ATOM 1231 CA THR B 25 -2.387 16.767 0.212 1.00 0.00 C ATOM 1232 C THR B 25 -1.820 15.377 -0.025 1.00 0.00 C ATOM 1233 O THR B 25 -2.440 14.545 -0.687 1.00 0.00 O ATOM 1234 CB THR B 25 -1.665 17.803 -0.652 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.331 17.993 -0.213 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.349 19.152 -0.662 1.00 0.00 C ATOM 0 H THR B 25 -1.811 18.000 1.802 1.00 0.00 H new ATOM 0 HA THR B 25 -3.440 16.772 -0.069 1.00 0.00 H new ATOM 0 HB THR B 25 -1.685 17.397 -1.663 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.200 17.534 0.643 1.00 0.00 H new ATOM 0 HG21 THR B 25 -1.787 19.840 -1.293 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.360 19.044 -1.054 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.394 19.545 0.354 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.651 15.116 0.559 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.030 13.810 0.441 1.00 0.00 C ATOM 1246 C ALA B 26 -0.964 12.766 1.034 1.00 0.00 C ATOM 1247 O ALA B 26 -1.316 11.783 0.380 1.00 0.00 O ATOM 1248 CB ALA B 26 1.320 13.793 1.145 1.00 0.00 C ATOM 0 H ALA B 26 -0.123 15.790 1.113 1.00 0.00 H new ATOM 0 HA ALA B 26 0.145 13.582 -0.610 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.770 12.805 1.045 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.975 14.538 0.693 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.182 14.024 2.201 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.379 13.000 2.278 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.291 12.104 2.972 1.00 0.00 C ATOM 1256 C GLU B 27 -3.509 11.790 2.110 1.00 0.00 C ATOM 1257 O GLU B 27 -3.869 10.628 1.925 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.739 12.746 4.286 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.636 11.858 5.131 1.00 0.00 C ATOM 1260 CD GLU B 27 -2.914 10.633 5.655 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -2.394 9.852 4.832 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -2.867 10.456 6.891 1.00 0.00 O ATOM 0 H GLU B 27 -1.093 13.811 2.826 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.768 11.170 3.178 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.857 13.013 4.868 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.267 13.673 4.064 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.024 12.434 5.971 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -4.494 11.543 4.537 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.138 12.839 1.580 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.315 12.679 0.734 1.00 0.00 C ATOM 1271 C LYS B 28 -5.012 11.788 -0.462 1.00 0.00 C ATOM 1272 O LYS B 28 -5.839 10.970 -0.866 1.00 0.00 O ATOM 1273 CB LYS B 28 -5.816 14.043 0.256 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.279 14.946 1.386 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.375 14.288 2.206 1.00 0.00 C ATOM 1276 CE LYS B 28 -7.848 15.192 3.332 1.00 0.00 C ATOM 1277 NZ LYS B 28 -6.743 15.544 4.264 1.00 0.00 N ATOM 0 H LYS B 28 -3.850 13.807 1.723 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.094 12.202 1.329 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.018 14.542 -0.294 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.640 13.895 -0.442 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.434 15.187 2.031 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.645 15.887 0.975 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.216 14.041 1.559 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.006 13.350 2.622 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.272 16.104 2.911 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.645 14.695 3.885 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.139 15.970 5.126 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -6.213 14.685 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -6.104 16.223 3.804 1.00 0.00 H new ATOM 1291 N VAL B 29 -3.819 11.946 -1.021 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.404 11.150 -2.170 1.00 0.00 C ATOM 1293 C VAL B 29 -3.455 9.666 -1.847 1.00 0.00 C ATOM 1294 O VAL B 29 -3.871 8.856 -2.674 1.00 0.00 O ATOM 1295 CB VAL B 29 -1.981 11.528 -2.627 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.531 10.639 -3.776 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -1.918 12.995 -3.022 1.00 0.00 C ATOM 0 H VAL B 29 -3.122 12.617 -0.698 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.100 11.364 -2.981 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.300 11.371 -1.791 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.524 10.923 -4.083 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.532 9.598 -3.453 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.214 10.758 -4.617 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -0.906 13.243 -3.342 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -2.613 13.181 -3.841 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.190 13.614 -2.167 1.00 0.00 H new ATOM 1307 N VAL B 30 -3.046 9.315 -0.638 1.00 0.00 N ATOM 1308 CA VAL B 30 -3.065 7.928 -0.212 1.00 0.00 C ATOM 1309 C VAL B 30 -4.507 7.425 -0.173 1.00 0.00 C ATOM 1310 O VAL B 30 -4.816 6.361 -0.707 1.00 0.00 O ATOM 1311 CB VAL B 30 -2.417 7.757 1.171 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -2.352 6.289 1.558 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -1.031 8.384 1.191 1.00 0.00 C ATOM 0 H VAL B 30 -2.698 9.970 0.062 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.488 7.344 -0.928 1.00 0.00 H new ATOM 0 HB VAL B 30 -3.036 8.272 1.906 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.890 6.192 2.540 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -3.360 5.876 1.589 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.759 5.745 0.823 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.587 8.254 2.178 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.402 7.901 0.443 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.110 9.448 0.966 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.392 8.210 0.453 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.806 7.847 0.542 1.00 0.00 C ATOM 1325 C LYS B 31 -7.332 7.393 -0.813 1.00 0.00 C ATOM 1326 O LYS B 31 -8.051 6.400 -0.911 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.646 9.023 1.054 1.00 0.00 C ATOM 1328 CG LYS B 31 -7.598 9.205 2.563 1.00 0.00 C ATOM 1329 CD LYS B 31 -6.198 9.527 3.053 1.00 0.00 C ATOM 1330 CE LYS B 31 -6.140 9.586 4.572 1.00 0.00 C ATOM 1331 NZ LYS B 31 -6.991 10.677 5.122 1.00 0.00 N ATOM 0 H LYS B 31 -5.153 9.094 0.902 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.890 7.023 1.251 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.299 9.939 0.576 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.682 8.877 0.748 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -8.277 10.007 2.853 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.952 8.296 3.049 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.501 8.771 2.690 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.877 10.482 2.638 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -6.465 8.631 4.984 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -5.108 9.736 4.890 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -6.819 10.770 6.143 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -6.756 11.573 4.648 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -7.993 10.451 4.959 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.950 8.117 -1.858 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.368 7.769 -3.206 1.00 0.00 C ATOM 1347 C GLN B 32 -6.618 6.528 -3.663 1.00 0.00 C ATOM 1348 O GLN B 32 -7.164 5.669 -4.357 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.112 8.931 -4.171 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.582 8.661 -5.592 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.093 8.496 -5.722 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.839 8.771 -4.652 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -9.590 8.139 -6.790 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.355 8.943 -1.797 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.439 7.564 -3.202 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.615 9.822 -3.795 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.044 9.150 -4.186 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.259 9.481 -6.233 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.095 7.758 -5.960 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -8.990 7.936 -7.589 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.602 8.046 -6.876 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.358 6.444 -3.254 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.502 5.317 -3.595 1.00 0.00 C ATOM 1364 C PHE B 33 -5.141 3.999 -3.159 1.00 0.00 C ATOM 1365 O PHE B 33 -5.366 3.104 -3.973 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.137 5.500 -2.920 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.083 4.549 -3.406 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.520 4.722 -4.658 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.652 3.490 -2.617 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.547 3.859 -5.118 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.678 2.624 -3.077 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.128 2.811 -4.330 1.00 0.00 C ATOM 0 H PHE B 33 -4.903 7.153 -2.679 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.371 5.282 -4.677 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.795 6.521 -3.087 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.256 5.375 -1.844 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -1.846 5.541 -5.282 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -2.081 3.342 -1.637 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.114 4.006 -6.096 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.348 1.803 -2.458 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.632 2.134 -4.692 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.438 3.897 -1.869 1.00 0.00 N ATOM 1383 CA PHE B 34 -6.056 2.694 -1.312 1.00 0.00 C ATOM 1384 C PHE B 34 -7.518 2.581 -1.708 1.00 0.00 C ATOM 1385 O PHE B 34 -7.994 1.497 -2.043 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.882 2.668 0.203 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.436 2.594 0.587 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.591 1.713 -0.070 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.912 3.412 1.573 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.254 1.649 0.249 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.574 3.348 1.899 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.745 2.466 1.233 1.00 0.00 C ATOM 0 H PHE B 34 -5.261 4.633 -1.186 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.549 1.824 -1.730 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.330 3.562 0.637 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.414 1.811 0.617 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.987 1.069 -0.841 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.557 4.106 2.091 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.606 0.960 -0.271 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -2.175 3.986 2.673 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.696 2.417 1.485 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.226 3.701 -1.692 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.631 3.710 -2.078 1.00 0.00 C ATOM 1404 C ASN B 35 -9.810 2.998 -3.416 1.00 0.00 C ATOM 1405 O ASN B 35 -10.795 2.293 -3.640 1.00 0.00 O ATOM 1406 CB ASN B 35 -10.131 5.150 -2.188 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.551 5.234 -2.704 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.857 4.770 -3.803 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -12.425 5.832 -1.912 1.00 0.00 N ATOM 0 H ASN B 35 -7.854 4.610 -1.418 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.210 3.187 -1.317 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -10.075 5.626 -1.209 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.473 5.710 -2.853 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -13.398 5.924 -2.204 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -12.126 6.202 -1.010 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.841 3.203 -4.295 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.861 2.601 -5.625 1.00 0.00 C ATOM 1418 C ASP B 36 -8.084 1.286 -5.685 1.00 0.00 C ATOM 1419 O ASP B 36 -8.353 0.453 -6.549 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.312 3.582 -6.662 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.135 4.853 -6.747 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -9.244 5.559 -5.723 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -9.670 5.141 -7.838 1.00 0.00 O ATOM 0 H ASP B 36 -8.024 3.786 -4.112 1.00 0.00 H new ATOM 0 HA ASP B 36 -9.902 2.372 -5.854 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.282 3.835 -6.409 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.291 3.100 -7.639 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.143 1.076 -4.766 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.385 -0.175 -4.760 1.00 0.00 C ATOM 1430 C ASN B 37 -7.216 -1.267 -4.109 1.00 0.00 C ATOM 1431 O ASN B 37 -7.331 -2.370 -4.639 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.053 -0.030 -4.015 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.056 0.846 -4.748 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -3.344 1.688 -4.005 1.00 0.00 O flip ATOM 1435 ND2 ASN B 37 -3.900 0.742 -5.965 1.00 0.00 N flip ATOM 0 H ASN B 37 -6.891 1.738 -4.032 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.162 -0.437 -5.794 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.240 0.390 -3.027 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.618 -1.018 -3.864 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -4.468 0.083 -6.497 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.203 1.315 -6.441 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.799 -0.922 -2.960 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.643 -1.828 -2.192 1.00 0.00 C ATOM 1444 C GLY B 38 -8.929 -3.169 -2.845 1.00 0.00 C ATOM 1445 O GLY B 38 -8.023 -3.968 -3.081 1.00 0.00 O ATOM 0 H GLY B 38 -7.696 0.000 -2.537 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.169 -2.008 -1.227 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.592 -1.331 -1.993 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.211 -3.439 -3.059 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.643 -4.722 -3.607 1.00 0.00 C ATOM 1451 C VAL B 39 -11.217 -4.632 -5.020 1.00 0.00 C ATOM 1452 O VAL B 39 -11.682 -5.638 -5.558 1.00 0.00 O ATOM 1453 CB VAL B 39 -11.718 -5.338 -2.703 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.076 -6.747 -3.159 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -11.265 -5.334 -1.250 1.00 0.00 C ATOM 0 H VAL B 39 -10.971 -2.788 -2.862 1.00 0.00 H new ATOM 0 HA VAL B 39 -9.745 -5.338 -3.653 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.616 -4.726 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -12.840 -7.159 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.457 -6.713 -4.180 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.188 -7.378 -3.124 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -12.042 -5.775 -0.625 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -10.348 -5.915 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.080 -4.309 -0.929 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.199 -3.460 -5.632 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.742 -3.318 -6.984 1.00 0.00 C ATOM 1467 C ASP B 40 -10.722 -2.715 -7.950 1.00 0.00 C ATOM 1468 O ASP B 40 -11.077 -2.298 -9.053 1.00 0.00 O ATOM 1469 CB ASP B 40 -13.002 -2.452 -6.957 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.095 -3.047 -6.091 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -14.536 -4.178 -6.385 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.510 -2.383 -5.118 1.00 0.00 O ATOM 0 H ASP B 40 -10.822 -2.603 -5.228 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.990 -4.317 -7.342 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.749 -1.459 -6.586 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.375 -2.327 -7.973 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.458 -2.663 -7.537 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.426 -2.098 -8.392 1.00 0.00 C ATOM 1479 C GLY B 41 -7.896 -3.085 -9.417 1.00 0.00 C ATOM 1480 O GLY B 41 -8.275 -4.257 -9.417 1.00 0.00 O ATOM 0 H GLY B 41 -9.131 -3.000 -6.631 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.828 -1.227 -8.909 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.600 -1.748 -7.772 1.00 0.00 H new ATOM 1484 N GLU B 42 -7.008 -2.608 -10.286 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.407 -3.448 -11.318 1.00 0.00 C ATOM 1486 C GLU B 42 -5.036 -3.940 -10.865 1.00 0.00 C ATOM 1487 O GLU B 42 -4.057 -3.195 -10.903 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.277 -2.672 -12.630 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.604 -2.168 -13.175 1.00 0.00 C ATOM 1490 CD GLU B 42 -7.449 -1.391 -14.469 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -6.301 -1.246 -14.942 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -8.475 -0.927 -15.009 1.00 0.00 O ATOM 0 H GLU B 42 -6.688 -1.640 -10.295 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.055 -4.309 -11.484 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.612 -1.823 -12.475 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.808 -3.313 -13.376 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -8.269 -3.016 -13.342 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -8.080 -1.532 -12.429 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.981 -5.187 -10.408 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.734 -5.763 -9.915 1.00 0.00 C ATOM 1501 C TRP B 43 -3.038 -6.629 -10.960 1.00 0.00 C ATOM 1502 O TRP B 43 -3.594 -7.626 -11.426 1.00 0.00 O ATOM 1503 CB TRP B 43 -4.007 -6.615 -8.679 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.590 -5.861 -7.525 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.292 -4.686 -7.559 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.522 -6.245 -6.154 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.662 -4.324 -6.286 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.198 -5.267 -5.406 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.950 -7.329 -5.488 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.320 -5.343 -4.022 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -4.068 -7.405 -4.117 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.749 -6.417 -3.394 1.00 0.00 C ATOM 0 H TRP B 43 -5.782 -5.817 -10.369 1.00 0.00 H new ATOM 0 HA TRP B 43 -3.076 -4.929 -9.672 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.688 -7.421 -8.952 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -3.074 -7.080 -8.360 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -5.521 -4.126 -8.454 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.194 -3.490 -6.037 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -3.424 -8.096 -6.037 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.846 -4.583 -3.464 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -3.628 -8.240 -3.591 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.825 -6.504 -2.320 1.00 0.00 H new ATOM 1523 N THR B 44 -1.807 -6.260 -11.301 1.00 0.00 N ATOM 1524 CA THR B 44 -1.016 -7.019 -12.261 1.00 0.00 C ATOM 1525 C THR B 44 0.034 -7.846 -11.523 1.00 0.00 C ATOM 1526 O THR B 44 0.703 -7.345 -10.618 1.00 0.00 O ATOM 1527 CB THR B 44 -0.339 -6.078 -13.260 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.512 -5.165 -12.591 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.322 -5.270 -14.082 1.00 0.00 C ATOM 0 H THR B 44 -1.335 -5.437 -10.925 1.00 0.00 H new ATOM 0 HA THR B 44 -1.677 -7.688 -12.812 1.00 0.00 H new ATOM 0 HB THR B 44 0.225 -6.726 -13.930 1.00 0.00 H new ATOM 0 HG1 THR B 44 0.296 -5.157 -11.635 1.00 0.00 H new ATOM 0 HG21 THR B 44 -0.776 -4.624 -14.770 1.00 0.00 H new ATOM 0 HG22 THR B 44 -1.963 -5.945 -14.649 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.935 -4.659 -13.419 1.00 0.00 H new ATOM 1537 N TYR B 45 0.168 -9.115 -11.896 1.00 0.00 N ATOM 1538 CA TYR B 45 1.130 -10.001 -11.245 1.00 0.00 C ATOM 1539 C TYR B 45 2.336 -10.272 -12.141 1.00 0.00 C ATOM 1540 O TYR B 45 2.196 -10.462 -13.349 1.00 0.00 O ATOM 1541 CB TYR B 45 0.456 -11.323 -10.866 1.00 0.00 C ATOM 1542 CG TYR B 45 1.378 -12.304 -10.174 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.328 -11.870 -9.256 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.299 -13.665 -10.440 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.171 -12.763 -8.623 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.138 -14.566 -9.811 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.072 -14.110 -8.904 1.00 0.00 C ATOM 1548 OH TYR B 45 3.909 -15.004 -8.276 1.00 0.00 O ATOM 0 H TYR B 45 -0.374 -9.552 -12.642 1.00 0.00 H new ATOM 0 HA TYR B 45 1.485 -9.502 -10.343 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.392 -11.114 -10.214 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.057 -11.788 -11.768 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.408 -10.816 -9.034 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.570 -14.026 -11.150 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.903 -12.409 -7.912 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.063 -15.621 -10.029 1.00 0.00 H new ATOM 0 HH TYR B 45 3.708 -15.912 -8.585 1.00 0.00 H new ATOM 1558 N ASP B 46 3.521 -10.301 -11.533 1.00 0.00 N ATOM 1559 CA ASP B 46 4.752 -10.561 -12.266 1.00 0.00 C ATOM 1560 C ASP B 46 5.485 -11.762 -11.675 1.00 0.00 C ATOM 1561 O ASP B 46 6.417 -11.608 -10.884 1.00 0.00 O ATOM 1562 CB ASP B 46 5.658 -9.328 -12.239 1.00 0.00 C ATOM 1563 CG ASP B 46 6.945 -9.535 -13.015 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.715 -10.449 -12.655 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.182 -8.782 -13.983 1.00 0.00 O ATOM 0 H ASP B 46 3.651 -10.147 -10.533 1.00 0.00 H new ATOM 0 HA ASP B 46 4.493 -10.786 -13.301 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.120 -8.477 -12.655 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.897 -9.079 -11.205 1.00 0.00 H new ATOM 1570 N ASP B 47 5.051 -12.959 -12.057 1.00 0.00 N ATOM 1571 CA ASP B 47 5.653 -14.195 -11.561 1.00 0.00 C ATOM 1572 C ASP B 47 7.176 -14.153 -11.661 1.00 0.00 C ATOM 1573 O ASP B 47 7.879 -14.699 -10.810 1.00 0.00 O ATOM 1574 CB ASP B 47 5.117 -15.395 -12.346 1.00 0.00 C ATOM 1575 CG ASP B 47 3.611 -15.535 -12.229 1.00 0.00 C ATOM 1576 OD1 ASP B 47 2.894 -14.592 -12.627 1.00 0.00 O ATOM 1577 OD2 ASP B 47 3.150 -16.587 -11.741 1.00 0.00 O ATOM 0 H ASP B 47 4.281 -13.101 -12.711 1.00 0.00 H new ATOM 0 HA ASP B 47 5.383 -14.297 -10.510 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.389 -15.290 -13.396 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.593 -16.306 -11.983 1.00 0.00 H new ATOM 1582 N ALA B 48 7.678 -13.515 -12.714 1.00 0.00 N ATOM 1583 CA ALA B 48 9.118 -13.415 -12.938 1.00 0.00 C ATOM 1584 C ALA B 48 9.856 -12.929 -11.692 1.00 0.00 C ATOM 1585 O ALA B 48 11.011 -13.293 -11.468 1.00 0.00 O ATOM 1586 CB ALA B 48 9.401 -12.490 -14.111 1.00 0.00 C ATOM 0 H ALA B 48 7.109 -13.059 -13.427 1.00 0.00 H new ATOM 0 HA ALA B 48 9.487 -14.415 -13.168 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.477 -12.422 -14.270 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.926 -12.885 -15.009 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.003 -11.498 -13.897 1.00 0.00 H new ATOM 1592 N THR B 49 9.193 -12.106 -10.886 1.00 0.00 N ATOM 1593 CA THR B 49 9.810 -11.578 -9.672 1.00 0.00 C ATOM 1594 C THR B 49 8.941 -11.830 -8.439 1.00 0.00 C ATOM 1595 O THR B 49 9.165 -11.232 -7.387 1.00 0.00 O ATOM 1596 CB THR B 49 10.070 -10.078 -9.822 1.00 0.00 C ATOM 1597 OG1 THR B 49 8.860 -9.380 -10.057 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.020 -9.746 -10.952 1.00 0.00 C ATOM 0 H THR B 49 8.236 -11.792 -11.048 1.00 0.00 H new ATOM 0 HA THR B 49 10.756 -12.101 -9.530 1.00 0.00 H new ATOM 0 HB THR B 49 10.527 -9.768 -8.882 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.473 -9.674 -10.908 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.161 -8.666 -11.003 1.00 0.00 H new ATOM 0 HG22 THR B 49 11.981 -10.229 -10.774 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.604 -10.103 -11.894 1.00 0.00 H new ATOM 1606 N LYS B 50 7.953 -12.714 -8.568 1.00 0.00 N ATOM 1607 CA LYS B 50 7.065 -13.029 -7.451 1.00 0.00 C ATOM 1608 C LYS B 50 6.541 -11.745 -6.807 1.00 0.00 C ATOM 1609 O LYS B 50 6.428 -11.648 -5.583 1.00 0.00 O ATOM 1610 CB LYS B 50 7.815 -13.865 -6.409 1.00 0.00 C ATOM 1611 CG LYS B 50 8.441 -15.130 -6.978 1.00 0.00 C ATOM 1612 CD LYS B 50 7.387 -16.150 -7.377 1.00 0.00 C ATOM 1613 CE LYS B 50 6.728 -16.777 -6.157 1.00 0.00 C ATOM 1614 NZ LYS B 50 5.657 -17.739 -6.538 1.00 0.00 N ATOM 0 H LYS B 50 7.748 -13.222 -9.429 1.00 0.00 H new ATOM 0 HA LYS B 50 6.218 -13.601 -7.829 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.597 -13.253 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS B 50 7.126 -14.138 -5.610 1.00 0.00 H new ATOM 0 HG2 LYS B 50 9.049 -14.876 -7.847 1.00 0.00 H new ATOM 0 HG3 LYS B 50 9.110 -15.569 -6.238 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.629 -15.669 -7.994 1.00 0.00 H new ATOM 0 HD3 LYS B 50 7.845 -16.930 -7.985 1.00 0.00 H new ATOM 0 HE2 LYS B 50 7.482 -17.291 -5.561 1.00 0.00 H new ATOM 0 HE3 LYS B 50 6.305 -15.993 -5.529 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 5.362 -18.280 -5.700 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 4.842 -17.218 -6.919 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 6.019 -18.393 -7.262 1.00 0.00 H new ATOM 1628 N THR B 51 6.248 -10.754 -7.643 1.00 0.00 N ATOM 1629 CA THR B 51 5.762 -9.466 -7.167 1.00 0.00 C ATOM 1630 C THR B 51 4.396 -9.129 -7.760 1.00 0.00 C ATOM 1631 O THR B 51 4.134 -9.406 -8.931 1.00 0.00 O ATOM 1632 CB THR B 51 6.774 -8.376 -7.529 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.021 -8.622 -6.904 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.334 -6.983 -7.140 1.00 0.00 C ATOM 0 H THR B 51 6.339 -10.820 -8.657 1.00 0.00 H new ATOM 0 HA THR B 51 5.648 -9.521 -6.084 1.00 0.00 H new ATOM 0 HB THR B 51 6.857 -8.417 -8.615 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.355 -9.502 -7.176 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.102 -6.265 -7.428 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.401 -6.741 -7.649 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.181 -6.938 -6.062 1.00 0.00 H new ATOM 1642 N PHE B 52 3.528 -8.525 -6.946 1.00 0.00 N ATOM 1643 CA PHE B 52 2.194 -8.155 -7.409 1.00 0.00 C ATOM 1644 C PHE B 52 2.045 -6.644 -7.563 1.00 0.00 C ATOM 1645 O PHE B 52 1.744 -5.929 -6.606 1.00 0.00 O ATOM 1646 CB PHE B 52 1.125 -8.663 -6.452 1.00 0.00 C ATOM 1647 CG PHE B 52 1.091 -10.158 -6.310 1.00 0.00 C ATOM 1648 CD1 PHE B 52 0.367 -10.933 -7.201 1.00 0.00 C ATOM 1649 CD2 PHE B 52 1.778 -10.786 -5.284 1.00 0.00 C ATOM 1650 CE1 PHE B 52 0.329 -12.308 -7.071 1.00 0.00 C ATOM 1651 CE2 PHE B 52 1.743 -12.162 -5.150 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.018 -12.923 -6.045 1.00 0.00 C ATOM 0 H PHE B 52 3.724 -8.285 -5.974 1.00 0.00 H new ATOM 0 HA PHE B 52 2.062 -8.621 -8.386 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.290 -8.219 -5.470 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.150 -8.319 -6.797 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -0.174 -10.457 -8.006 1.00 0.00 H new ATOM 0 HD2 PHE B 52 2.347 -10.195 -4.582 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -0.240 -12.901 -7.772 1.00 0.00 H new ATOM 0 HE2 PHE B 52 2.282 -12.641 -4.346 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.990 -13.998 -5.943 1.00 0.00 H new ATOM 1662 N THR B 53 2.251 -6.178 -8.781 1.00 0.00 N ATOM 1663 CA THR B 53 2.133 -4.755 -9.088 1.00 0.00 C ATOM 1664 C THR B 53 0.678 -4.318 -9.183 1.00 0.00 C ATOM 1665 O THR B 53 -0.128 -4.927 -9.886 1.00 0.00 O ATOM 1666 CB THR B 53 2.874 -4.386 -10.375 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.720 -5.391 -11.360 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.350 -4.123 -10.167 1.00 0.00 C ATOM 0 H THR B 53 2.502 -6.762 -9.579 1.00 0.00 H new ATOM 0 HA THR B 53 2.600 -4.222 -8.260 1.00 0.00 H new ATOM 0 HB THR B 53 2.417 -3.456 -10.713 1.00 0.00 H new ATOM 0 HG1 THR B 53 2.024 -5.123 -11.995 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.812 -3.867 -11.121 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.477 -3.296 -9.469 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.825 -5.016 -9.762 1.00 0.00 H new ATOM 1676 N VAL B 54 0.364 -3.240 -8.478 1.00 0.00 N ATOM 1677 CA VAL B 54 -0.977 -2.676 -8.475 1.00 0.00 C ATOM 1678 C VAL B 54 -0.920 -1.229 -8.940 1.00 0.00 C ATOM 1679 O VAL B 54 -0.135 -0.436 -8.418 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.620 -2.741 -7.074 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -3.036 -2.183 -7.104 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.617 -4.171 -6.552 1.00 0.00 C ATOM 0 H VAL B 54 1.030 -2.734 -7.894 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.591 -3.267 -9.155 1.00 0.00 H new ATOM 0 HB VAL B 54 -1.027 -2.126 -6.396 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.470 -2.239 -6.106 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -3.011 -1.144 -7.431 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.642 -2.767 -7.797 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -2.074 -4.198 -5.563 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.184 -4.808 -7.231 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.591 -4.533 -6.487 1.00 0.00 H new ATOM 1692 N THR B 55 -1.732 -0.884 -9.933 1.00 0.00 N ATOM 1693 CA THR B 55 -1.728 0.473 -10.457 1.00 0.00 C ATOM 1694 C THR B 55 -3.065 1.167 -10.228 1.00 0.00 C ATOM 1695 O THR B 55 -4.115 0.672 -10.637 1.00 0.00 O ATOM 1696 CB THR B 55 -1.380 0.469 -11.945 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.300 -0.410 -12.203 1.00 0.00 O ATOM 1698 CG2 THR B 55 -0.979 1.834 -12.459 1.00 0.00 C ATOM 0 H THR B 55 -2.392 -1.517 -10.385 1.00 0.00 H new ATOM 0 HA THR B 55 -0.966 1.034 -9.916 1.00 0.00 H new ATOM 0 HB THR B 55 -2.287 0.147 -12.457 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.092 -0.401 -13.161 1.00 0.00 H new ATOM 0 HG21 THR B 55 -0.744 1.768 -13.521 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.802 2.534 -12.312 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.103 2.185 -11.914 1.00 0.00 H new ATOM 1706 N GLU B 56 -3.011 2.320 -9.568 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.211 3.094 -9.277 1.00 0.00 C ATOM 1708 C GLU B 56 -4.913 3.514 -10.565 1.00 0.00 C ATOM 1709 O GLU B 56 -4.211 3.908 -11.520 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.853 4.331 -8.449 1.00 0.00 C ATOM 1711 CG GLU B 56 -5.047 5.214 -8.122 1.00 0.00 C ATOM 1712 CD GLU B 56 -4.659 6.456 -7.347 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -3.837 7.245 -7.859 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -5.182 6.646 -6.229 1.00 0.00 O ATOM 1715 OXT GLU B 56 -6.160 3.445 -10.608 1.00 0.00 O ATOM 0 H GLU B 56 -2.147 2.739 -9.224 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.892 2.465 -8.704 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.383 4.011 -7.519 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.115 4.920 -8.993 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -5.541 5.508 -9.048 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -5.771 4.640 -7.543 1.00 0.00 H new TER 1722 GLU B 56