USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 833 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 44 THR OG1 : rot 29:sc= 1.62! USER MOD Set 1.2: B 53 THR OG1 : rot 120:sc= 1.72! USER MOD Set 2.1: A 50 LYS NZ :NH3+ 173:sc= -1.57! (180deg=-1.93!) USER MOD Set 2.2: B 1 MET CE :methyl -157:sc= -4.88! (180deg=-6.7!) USER MOD Set 3.1: A 44 THR OG1 : rot 27:sc= 1.57! USER MOD Set 3.2: A 53 THR OG1 : rot 122:sc= 1.78 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 4 LYS NZ :NH3+ -138:sc= -4.5! (180deg=-9.79!) USER MOD Single : A 8 ASN :FLIP amide:sc= -1.25 F(o=-4.2!,f=-1.2) USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= -0.038 (180deg=-0.258) USER MOD Single : A 11 THR OG1 : rot -164:sc= -3.67! USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= -0.0166 (180deg=-0.248) USER MOD Single : A 16 THR OG1 : rot 168:sc= -5.03! USER MOD Single : A 17 THR OG1 : rot 28:sc= 0.416 USER MOD Single : A 18 THR OG1 : rot 30:sc= 0.204 USER MOD Single : A 25 THR OG1 : rot -34:sc= -0.786! USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0318 (180deg=-0.294) USER MOD Single : A 31 LYS NZ :NH3+ 178:sc= 0.928 (180deg=0.898) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.474 F(o=-2.5,f=-0.47) USER MOD Single : A 35 ASN : amide:sc= -3.74! C(o=-3.7!,f=-3.3!) USER MOD Single : A 37 ASN : amide:sc= -8.75! C(o=-8.7!,f=-10!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 63:sc= -0.163 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -132:sc= 1.25 (180deg=0.316) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 3 TYR OH : rot -84:sc= 0.371 USER MOD Single : B 4 LYS NZ :NH3+ -139:sc= -4.41! (180deg=-9.77!) USER MOD Single : B 8 ASN :FLIP amide:sc= -1.24 F(o=-4.3!,f=-1.2) USER MOD Single : B 10 LYS NZ :NH3+ -166:sc= -0.0449 (180deg=-0.268) USER MOD Single : B 11 THR OG1 : rot -169:sc= -3.69! USER MOD Single : B 13 LYS NZ :NH3+ 166:sc= -0.0227 (180deg=-0.253) USER MOD Single : B 16 THR OG1 : rot 160:sc= -5.01! USER MOD Single : B 17 THR OG1 : rot 30:sc= 0.426 USER MOD Single : B 18 THR OG1 : rot 31:sc= 0.197 USER MOD Single : B 25 THR OG1 : rot -33:sc= -0.727! USER MOD Single : B 28 LYS NZ :NH3+ 166:sc= -0.0257 (180deg=-0.278) USER MOD Single : B 31 LYS NZ :NH3+ 178:sc= 0.964 (180deg=0.752) USER MOD Single : B 32 GLN :FLIP amide:sc= -0.493 F(o=-2.4,f=-0.49) USER MOD Single : B 35 ASN : amide:sc= -3.74! C(o=-3.7!,f=-3.3!) USER MOD Single : B 37 ASN : amide:sc= -8.86! C(o=-8.9!,f=-10!) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 50 LYS NZ :NH3+ 173:sc= -1.55! (180deg=-1.89!) USER MOD Single : B 51 THR OG1 : rot 62:sc= -0.148 USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 7.459 -15.723 0.979 1.00 0.00 N ATOM 21 CA GLN A 2 7.312 -14.271 0.941 1.00 0.00 C ATOM 22 C GLN A 2 7.157 -13.772 -0.490 1.00 0.00 C ATOM 23 O GLN A 2 7.809 -14.274 -1.406 1.00 0.00 O ATOM 24 CB GLN A 2 8.518 -13.599 1.601 1.00 0.00 C ATOM 25 CG GLN A 2 8.439 -12.081 1.610 1.00 0.00 C ATOM 26 CD GLN A 2 9.647 -11.437 2.261 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.780 -11.623 1.817 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.412 -10.674 3.322 1.00 0.00 N ATOM 0 HA GLN A 2 6.410 -14.010 1.494 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.606 -13.956 2.627 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.425 -13.904 1.079 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.347 -11.720 0.586 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.538 -11.771 2.139 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.457 -10.546 3.657 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.186 -10.215 3.802 1.00 0.00 H new ATOM 37 N TYR A 3 6.294 -12.781 -0.676 1.00 0.00 N ATOM 38 CA TYR A 3 6.057 -12.211 -1.995 1.00 0.00 C ATOM 39 C TYR A 3 6.208 -10.695 -1.965 1.00 0.00 C ATOM 40 O TYR A 3 5.913 -10.052 -0.956 1.00 0.00 O ATOM 41 CB TYR A 3 4.659 -12.581 -2.495 1.00 0.00 C ATOM 42 CG TYR A 3 4.451 -14.068 -2.672 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.255 -14.899 -1.576 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.450 -14.642 -3.939 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.063 -16.259 -1.737 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.258 -16.000 -4.106 1.00 0.00 C ATOM 47 CZ TYR A 3 4.066 -16.803 -3.003 1.00 0.00 C ATOM 48 OH TYR A 3 3.874 -18.156 -3.167 1.00 0.00 O ATOM 0 H TYR A 3 5.746 -12.355 0.072 1.00 0.00 H new ATOM 0 HA TYR A 3 6.800 -12.623 -2.678 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.919 -12.201 -1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.479 -12.082 -3.447 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.253 -14.476 -0.582 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.602 -14.016 -4.806 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.911 -16.892 -0.875 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.258 -16.430 -5.097 1.00 0.00 H new ATOM 0 HH TYR A 3 3.903 -18.377 -4.121 1.00 0.00 H new ATOM 58 N LYS A 4 6.662 -10.128 -3.074 1.00 0.00 N ATOM 59 CA LYS A 4 6.843 -8.687 -3.176 1.00 0.00 C ATOM 60 C LYS A 4 5.616 -8.041 -3.805 1.00 0.00 C ATOM 61 O LYS A 4 5.082 -8.536 -4.796 1.00 0.00 O ATOM 62 CB LYS A 4 8.087 -8.363 -4.003 1.00 0.00 C ATOM 63 CG LYS A 4 8.354 -6.871 -4.143 1.00 0.00 C ATOM 64 CD LYS A 4 8.550 -6.189 -2.796 1.00 0.00 C ATOM 65 CE LYS A 4 9.885 -6.547 -2.153 1.00 0.00 C ATOM 66 NZ LYS A 4 9.956 -7.978 -1.744 1.00 0.00 N ATOM 0 H LYS A 4 6.912 -10.645 -3.917 1.00 0.00 H new ATOM 0 HA LYS A 4 6.975 -8.285 -2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.953 -8.837 -3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.977 -8.799 -4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.242 -6.719 -4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.521 -6.403 -4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.491 -5.108 -2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.739 -6.474 -2.126 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.691 -6.333 -2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.045 -5.915 -1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.407 -8.050 -0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.995 -8.373 -1.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.515 -8.511 -2.440 1.00 0.00 H new ATOM 80 N VAL A 5 5.168 -6.937 -3.224 1.00 0.00 N ATOM 81 CA VAL A 5 4.001 -6.232 -3.731 1.00 0.00 C ATOM 82 C VAL A 5 4.343 -4.788 -4.082 1.00 0.00 C ATOM 83 O VAL A 5 4.728 -3.999 -3.223 1.00 0.00 O ATOM 84 CB VAL A 5 2.848 -6.258 -2.708 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.605 -5.583 -3.271 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.541 -7.687 -2.287 1.00 0.00 C ATOM 0 H VAL A 5 5.595 -6.511 -2.402 1.00 0.00 H new ATOM 0 HA VAL A 5 3.679 -6.747 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 5 3.163 -5.700 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.806 -5.615 -2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.833 -4.545 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.284 -6.105 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.725 -7.686 -1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.251 -8.270 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.427 -8.131 -1.833 1.00 0.00 H new ATOM 96 N ILE A 6 4.201 -4.453 -5.356 1.00 0.00 N ATOM 97 CA ILE A 6 4.488 -3.112 -5.839 1.00 0.00 C ATOM 98 C ILE A 6 3.202 -2.300 -5.975 1.00 0.00 C ATOM 99 O ILE A 6 2.306 -2.660 -6.739 1.00 0.00 O ATOM 100 CB ILE A 6 5.217 -3.167 -7.198 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.604 -3.787 -7.031 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.321 -1.782 -7.816 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.368 -3.921 -8.330 1.00 0.00 C ATOM 0 H ILE A 6 3.886 -5.099 -6.079 1.00 0.00 H new ATOM 0 HA ILE A 6 5.136 -2.625 -5.110 1.00 0.00 H new ATOM 0 HB ILE A 6 4.634 -3.793 -7.873 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.185 -3.177 -6.339 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.500 -4.772 -6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.839 -1.848 -8.773 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.321 -1.377 -7.972 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.878 -1.126 -7.147 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.343 -4.368 -8.134 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.809 -4.556 -9.017 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.504 -2.936 -8.775 1.00 0.00 H new ATOM 115 N LEU A 7 3.113 -1.208 -5.229 1.00 0.00 N ATOM 116 CA LEU A 7 1.931 -0.354 -5.264 1.00 0.00 C ATOM 117 C LEU A 7 2.194 0.881 -6.125 1.00 0.00 C ATOM 118 O LEU A 7 2.643 1.915 -5.628 1.00 0.00 O ATOM 119 CB LEU A 7 1.544 0.050 -3.837 1.00 0.00 C ATOM 120 CG LEU A 7 1.682 -1.059 -2.796 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.160 -0.588 -1.446 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.956 -2.314 -3.256 1.00 0.00 C ATOM 0 H LEU A 7 3.844 -0.891 -4.592 1.00 0.00 H new ATOM 0 HA LEU A 7 1.103 -0.906 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.164 0.893 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.511 0.399 -3.841 1.00 0.00 H new ATOM 0 HG LEU A 7 2.738 -1.303 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.265 -1.390 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.732 0.280 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.108 -0.316 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.065 -3.094 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.102 -2.091 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.384 -2.657 -4.198 1.00 0.00 H new ATOM 134 N ASN A 8 1.928 0.756 -7.427 1.00 0.00 N ATOM 135 CA ASN A 8 2.152 1.851 -8.372 1.00 0.00 C ATOM 136 C ASN A 8 0.887 2.666 -8.625 1.00 0.00 C ATOM 137 O ASN A 8 -0.010 2.225 -9.337 1.00 0.00 O ATOM 138 CB ASN A 8 2.672 1.306 -9.708 1.00 0.00 C ATOM 139 CG ASN A 8 4.099 0.778 -9.643 1.00 0.00 C ATOM 140 OD1 ASN A 8 4.739 0.892 -8.484 1.00 0.00 O flip ATOM 141 ND2 ASN A 8 4.623 0.272 -10.635 1.00 0.00 N flip ATOM 0 H ASN A 8 1.557 -0.094 -7.851 1.00 0.00 H new ATOM 0 HA ASN A 8 2.895 2.509 -7.920 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.013 0.505 -10.044 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.621 2.096 -10.457 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.100 0.202 -11.508 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.580 -0.077 -10.584 1.00 0.00 H new ATOM 148 N GLY A 9 0.826 3.864 -8.055 1.00 0.00 N ATOM 149 CA GLY A 9 -0.331 4.719 -8.251 1.00 0.00 C ATOM 150 C GLY A 9 -0.012 5.927 -9.107 1.00 0.00 C ATOM 151 O GLY A 9 1.070 6.018 -9.686 1.00 0.00 O ATOM 0 H GLY A 9 1.556 4.259 -7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.130 4.144 -8.720 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.704 5.051 -7.282 1.00 0.00 H new ATOM 155 N LYS A 10 -0.957 6.856 -9.189 1.00 0.00 N ATOM 156 CA LYS A 10 -0.771 8.064 -9.985 1.00 0.00 C ATOM 157 C LYS A 10 0.193 9.030 -9.302 1.00 0.00 C ATOM 158 O LYS A 10 1.188 9.449 -9.894 1.00 0.00 O ATOM 159 CB LYS A 10 -2.116 8.754 -10.222 1.00 0.00 C ATOM 160 CG LYS A 10 -3.117 7.893 -10.976 1.00 0.00 C ATOM 161 CD LYS A 10 -4.431 8.627 -11.193 1.00 0.00 C ATOM 162 CE LYS A 10 -5.428 7.769 -11.955 1.00 0.00 C ATOM 163 NZ LYS A 10 -4.919 7.383 -13.299 1.00 0.00 N ATOM 0 H LYS A 10 -1.858 6.797 -8.715 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.342 7.772 -10.944 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.544 9.037 -9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.949 9.675 -10.780 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.697 7.604 -11.939 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.300 6.974 -10.419 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.854 8.910 -10.229 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.247 9.549 -11.744 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.648 6.870 -11.379 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.365 8.314 -12.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.702 7.009 -13.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.513 8.217 -13.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.186 6.653 -13.196 1.00 0.00 H new ATOM 177 N THR A 11 -0.113 9.389 -8.058 1.00 0.00 N ATOM 178 CA THR A 11 0.713 10.312 -7.297 1.00 0.00 C ATOM 179 C THR A 11 1.378 9.613 -6.120 1.00 0.00 C ATOM 180 O THR A 11 1.905 10.264 -5.219 1.00 0.00 O ATOM 181 CB THR A 11 -0.155 11.457 -6.785 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.399 10.966 -6.322 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.440 12.513 -7.826 1.00 0.00 C ATOM 0 H THR A 11 -0.934 9.050 -7.556 1.00 0.00 H new ATOM 0 HA THR A 11 1.496 10.696 -7.951 1.00 0.00 H new ATOM 0 HB THR A 11 0.420 11.916 -5.981 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.033 11.709 -6.237 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.062 13.295 -7.390 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.499 12.946 -8.171 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.963 12.061 -8.669 1.00 0.00 H new ATOM 191 N LEU A 12 1.338 8.287 -6.124 1.00 0.00 N ATOM 192 CA LEU A 12 1.924 7.514 -5.047 1.00 0.00 C ATOM 193 C LEU A 12 2.666 6.297 -5.591 1.00 0.00 C ATOM 194 O LEU A 12 2.191 5.621 -6.504 1.00 0.00 O ATOM 195 CB LEU A 12 0.827 7.097 -4.066 1.00 0.00 C ATOM 196 CG LEU A 12 1.283 6.234 -2.898 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.492 6.861 -2.234 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.151 6.054 -1.896 1.00 0.00 C ATOM 0 H LEU A 12 0.906 7.729 -6.861 1.00 0.00 H new ATOM 0 HA LEU A 12 2.653 8.130 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.359 7.997 -3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.059 6.555 -4.617 1.00 0.00 H new ATOM 0 HG LEU A 12 1.563 5.250 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.813 6.238 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.303 6.943 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.231 7.854 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.494 5.435 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.158 7.028 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.694 5.570 -2.385 1.00 0.00 H new ATOM 210 N LYS A 13 3.834 6.026 -5.017 1.00 0.00 N ATOM 211 CA LYS A 13 4.658 4.893 -5.432 1.00 0.00 C ATOM 212 C LYS A 13 5.304 4.239 -4.219 1.00 0.00 C ATOM 213 O LYS A 13 5.742 4.925 -3.300 1.00 0.00 O ATOM 214 CB LYS A 13 5.745 5.355 -6.409 1.00 0.00 C ATOM 215 CG LYS A 13 5.200 5.999 -7.673 1.00 0.00 C ATOM 216 CD LYS A 13 4.396 5.013 -8.503 1.00 0.00 C ATOM 217 CE LYS A 13 3.859 5.662 -9.768 1.00 0.00 C ATOM 218 NZ LYS A 13 4.956 6.157 -10.647 1.00 0.00 N ATOM 0 H LYS A 13 4.234 6.578 -4.259 1.00 0.00 H new ATOM 0 HA LYS A 13 4.018 4.165 -5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.397 6.066 -5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.360 4.499 -6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.571 6.849 -7.407 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.026 6.388 -8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.023 4.161 -8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.567 4.627 -7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.252 4.942 -10.316 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.205 6.492 -9.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.571 6.389 -11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.381 7.008 -10.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.683 5.419 -10.744 1.00 0.00 H new ATOM 232 N GLY A 14 5.363 2.911 -4.215 1.00 0.00 N ATOM 233 CA GLY A 14 5.962 2.217 -3.092 1.00 0.00 C ATOM 234 C GLY A 14 6.080 0.722 -3.301 1.00 0.00 C ATOM 235 O GLY A 14 5.741 0.202 -4.365 1.00 0.00 O ATOM 0 H GLY A 14 5.011 2.310 -4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.954 2.630 -2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.366 2.405 -2.199 1.00 0.00 H new ATOM 239 N GLU A 15 6.559 0.030 -2.273 1.00 0.00 N ATOM 240 CA GLU A 15 6.724 -1.415 -2.321 1.00 0.00 C ATOM 241 C GLU A 15 6.389 -2.035 -0.969 1.00 0.00 C ATOM 242 O GLU A 15 6.716 -1.480 0.079 1.00 0.00 O ATOM 243 CB GLU A 15 8.155 -1.792 -2.724 1.00 0.00 C ATOM 244 CG GLU A 15 8.565 -1.289 -4.101 1.00 0.00 C ATOM 245 CD GLU A 15 8.860 0.200 -4.128 1.00 0.00 C ATOM 246 OE1 GLU A 15 8.831 0.833 -3.052 1.00 0.00 O ATOM 247 OE2 GLU A 15 9.132 0.731 -5.225 1.00 0.00 O ATOM 0 H GLU A 15 6.842 0.453 -1.389 1.00 0.00 H new ATOM 0 HA GLU A 15 6.038 -1.805 -3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.847 -1.393 -1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.254 -2.877 -2.701 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.449 -1.834 -4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.770 -1.509 -4.813 1.00 0.00 H new ATOM 254 N THR A 16 5.732 -3.185 -1.005 1.00 0.00 N ATOM 255 CA THR A 16 5.343 -3.888 0.211 1.00 0.00 C ATOM 256 C THR A 16 5.586 -5.391 0.074 1.00 0.00 C ATOM 257 O THR A 16 5.869 -5.881 -1.016 1.00 0.00 O ATOM 258 CB THR A 16 3.875 -3.596 0.539 1.00 0.00 C ATOM 259 OG1 THR A 16 3.355 -4.583 1.395 1.00 0.00 O ATOM 260 CG2 THR A 16 2.979 -3.518 -0.678 1.00 0.00 C ATOM 0 H THR A 16 5.455 -3.654 -1.868 1.00 0.00 H new ATOM 0 HA THR A 16 5.960 -3.528 1.034 1.00 0.00 H new ATOM 0 HB THR A 16 3.879 -2.616 1.016 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.490 -4.287 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.956 -3.309 -0.364 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.327 -2.721 -1.336 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.007 -4.468 -1.212 1.00 0.00 H new ATOM 268 N THR A 17 5.497 -6.117 1.190 1.00 0.00 N ATOM 269 CA THR A 17 5.732 -7.562 1.176 1.00 0.00 C ATOM 270 C THR A 17 4.814 -8.318 2.139 1.00 0.00 C ATOM 271 O THR A 17 4.826 -8.079 3.348 1.00 0.00 O ATOM 272 CB THR A 17 7.188 -7.853 1.530 1.00 0.00 C ATOM 273 OG1 THR A 17 7.499 -7.365 2.822 1.00 0.00 O ATOM 274 CG2 THR A 17 8.170 -7.244 0.557 1.00 0.00 C ATOM 0 H THR A 17 5.266 -5.733 2.106 1.00 0.00 H new ATOM 0 HA THR A 17 5.508 -7.912 0.168 1.00 0.00 H new ATOM 0 HB THR A 17 7.285 -8.938 1.488 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.688 -7.357 3.373 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.187 -7.488 0.865 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.988 -7.643 -0.441 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.045 -6.161 0.543 1.00 0.00 H new ATOM 282 N THR A 18 4.035 -9.247 1.590 1.00 0.00 N ATOM 283 CA THR A 18 3.120 -10.071 2.381 1.00 0.00 C ATOM 284 C THR A 18 3.668 -11.489 2.512 1.00 0.00 C ATOM 285 O THR A 18 4.220 -12.041 1.560 1.00 0.00 O ATOM 286 CB THR A 18 1.738 -10.112 1.724 1.00 0.00 C ATOM 287 OG1 THR A 18 0.823 -10.828 2.532 1.00 0.00 O ATOM 288 CG2 THR A 18 1.743 -10.759 0.355 1.00 0.00 C ATOM 0 H THR A 18 4.019 -9.450 0.591 1.00 0.00 H new ATOM 0 HA THR A 18 3.028 -9.630 3.373 1.00 0.00 H new ATOM 0 HB THR A 18 1.439 -9.070 1.614 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.079 -10.739 3.474 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.732 -10.755 -0.053 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.404 -10.202 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.096 -11.787 0.440 1.00 0.00 H new ATOM 296 N GLU A 19 3.505 -12.079 3.688 1.00 0.00 N ATOM 297 CA GLU A 19 3.976 -13.440 3.935 1.00 0.00 C ATOM 298 C GLU A 19 2.811 -14.416 3.845 1.00 0.00 C ATOM 299 O GLU A 19 1.909 -14.392 4.683 1.00 0.00 O ATOM 300 CB GLU A 19 4.634 -13.528 5.314 1.00 0.00 C ATOM 301 CG GLU A 19 5.135 -14.919 5.668 1.00 0.00 C ATOM 302 CD GLU A 19 6.203 -15.417 4.714 1.00 0.00 C ATOM 303 OE1 GLU A 19 7.241 -14.734 4.578 1.00 0.00 O ATOM 304 OE2 GLU A 19 6.006 -16.490 4.110 1.00 0.00 O ATOM 0 H GLU A 19 3.050 -11.639 4.488 1.00 0.00 H new ATOM 0 HA GLU A 19 4.716 -13.702 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.471 -12.830 5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.917 -13.207 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.535 -14.909 6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.296 -15.615 5.663 1.00 0.00 H new ATOM 311 N ALA A 20 2.815 -15.269 2.821 1.00 0.00 N ATOM 312 CA ALA A 20 1.732 -16.227 2.641 1.00 0.00 C ATOM 313 C ALA A 20 2.218 -17.532 2.010 1.00 0.00 C ATOM 314 O ALA A 20 3.201 -17.557 1.269 1.00 0.00 O ATOM 315 CB ALA A 20 0.633 -15.606 1.797 1.00 0.00 C ATOM 0 H ALA A 20 3.548 -15.314 2.113 1.00 0.00 H new ATOM 0 HA ALA A 20 1.338 -16.475 3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.175 -16.326 1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.249 -14.717 2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.035 -15.329 0.823 1.00 0.00 H new ATOM 321 N VAL A 21 1.520 -18.615 2.340 1.00 0.00 N ATOM 322 CA VAL A 21 1.860 -19.950 1.849 1.00 0.00 C ATOM 323 C VAL A 21 2.028 -19.979 0.328 1.00 0.00 C ATOM 324 O VAL A 21 2.894 -20.679 -0.193 1.00 0.00 O ATOM 325 CB VAL A 21 0.778 -20.972 2.240 1.00 0.00 C ATOM 326 CG1 VAL A 21 1.232 -22.387 1.913 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.422 -20.839 3.713 1.00 0.00 C ATOM 0 H VAL A 21 0.705 -18.594 2.953 1.00 0.00 H new ATOM 0 HA VAL A 21 2.810 -20.214 2.314 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.119 -20.764 1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.453 -23.094 2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.424 -22.469 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.145 -22.613 2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.345 -21.570 3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.310 -21.016 4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.045 -19.835 3.907 1.00 0.00 H new ATOM 337 N ASP A 22 1.201 -19.215 -0.373 1.00 0.00 N ATOM 338 CA ASP A 22 1.277 -19.161 -1.830 1.00 0.00 C ATOM 339 C ASP A 22 0.972 -17.761 -2.349 1.00 0.00 C ATOM 340 O ASP A 22 0.557 -16.883 -1.590 1.00 0.00 O ATOM 341 CB ASP A 22 0.328 -20.186 -2.458 1.00 0.00 C ATOM 342 CG ASP A 22 -1.130 -19.883 -2.184 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.620 -18.848 -2.676 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.780 -20.680 -1.476 1.00 0.00 O ATOM 0 H ASP A 22 0.475 -18.628 0.038 1.00 0.00 H new ATOM 0 HA ASP A 22 2.298 -19.410 -2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.492 -20.214 -3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.566 -21.178 -2.074 1.00 0.00 H new ATOM 349 N ALA A 23 1.191 -17.555 -3.643 1.00 0.00 N ATOM 350 CA ALA A 23 0.954 -16.257 -4.264 1.00 0.00 C ATOM 351 C ALA A 23 -0.484 -15.800 -4.073 1.00 0.00 C ATOM 352 O ALA A 23 -0.737 -14.633 -3.774 1.00 0.00 O ATOM 353 CB ALA A 23 1.309 -16.307 -5.742 1.00 0.00 C ATOM 0 H ALA A 23 1.533 -18.272 -4.283 1.00 0.00 H new ATOM 0 HA ALA A 23 1.598 -15.528 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.127 -15.331 -6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.361 -16.569 -5.855 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.693 -17.057 -6.239 1.00 0.00 H new ATOM 359 N ALA A 24 -1.424 -16.720 -4.237 1.00 0.00 N ATOM 360 CA ALA A 24 -2.832 -16.392 -4.069 1.00 0.00 C ATOM 361 C ALA A 24 -3.097 -15.957 -2.636 1.00 0.00 C ATOM 362 O ALA A 24 -3.611 -14.866 -2.398 1.00 0.00 O ATOM 363 CB ALA A 24 -3.708 -17.578 -4.445 1.00 0.00 C ATOM 0 H ALA A 24 -1.239 -17.692 -4.484 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.082 -15.566 -4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.757 -17.312 -4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.530 -17.846 -5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.465 -18.427 -3.806 1.00 0.00 H new ATOM 369 N THR A 25 -2.716 -16.802 -1.681 1.00 0.00 N ATOM 370 CA THR A 25 -2.889 -16.480 -0.278 1.00 0.00 C ATOM 371 C THR A 25 -2.281 -15.114 -0.002 1.00 0.00 C ATOM 372 O THR A 25 -2.901 -14.262 0.634 1.00 0.00 O ATOM 373 CB THR A 25 -2.227 -17.548 0.591 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.848 -17.652 0.302 1.00 0.00 O ATOM 375 CG2 THR A 25 -2.838 -18.922 0.426 1.00 0.00 C ATOM 0 H THR A 25 -2.287 -17.710 -1.858 1.00 0.00 H new ATOM 0 HA THR A 25 -3.951 -16.455 -0.036 1.00 0.00 H new ATOM 0 HB THR A 25 -2.389 -17.219 1.618 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.701 -17.488 -0.653 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.320 -19.631 1.072 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.893 -18.886 0.699 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.743 -19.240 -0.612 1.00 0.00 H new ATOM 383 N ALA A 26 -1.075 -14.905 -0.521 1.00 0.00 N ATOM 384 CA ALA A 26 -0.401 -13.628 -0.368 1.00 0.00 C ATOM 385 C ALA A 26 -1.251 -12.533 -0.995 1.00 0.00 C ATOM 386 O ALA A 26 -1.553 -11.524 -0.359 1.00 0.00 O ATOM 387 CB ALA A 26 0.981 -13.673 -1.006 1.00 0.00 C ATOM 0 H ALA A 26 -0.549 -15.602 -1.048 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.270 -13.414 0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.471 -12.707 -0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.579 -14.448 -0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.884 -13.896 -2.068 1.00 0.00 H new ATOM 393 N GLU A 27 -1.650 -12.747 -2.248 1.00 0.00 N ATOM 394 CA GLU A 27 -2.481 -11.788 -2.962 1.00 0.00 C ATOM 395 C GLU A 27 -3.728 -11.444 -2.154 1.00 0.00 C ATOM 396 O GLU A 27 -4.056 -10.272 -1.974 1.00 0.00 O ATOM 397 CB GLU A 27 -2.887 -12.352 -4.325 1.00 0.00 C ATOM 398 CG GLU A 27 -3.750 -11.406 -5.144 1.00 0.00 C ATOM 399 CD GLU A 27 -4.137 -11.985 -6.489 1.00 0.00 C ATOM 400 OE1 GLU A 27 -4.789 -13.051 -6.512 1.00 0.00 O ATOM 401 OE2 GLU A 27 -3.788 -11.374 -7.521 1.00 0.00 O ATOM 0 H GLU A 27 -1.409 -13.578 -2.787 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.899 -10.878 -3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.987 -12.592 -4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.428 -13.286 -4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.653 -11.167 -4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.212 -10.470 -5.297 1.00 0.00 H new ATOM 408 N LYS A 28 -4.414 -12.476 -1.659 1.00 0.00 N ATOM 409 CA LYS A 28 -5.621 -12.279 -0.864 1.00 0.00 C ATOM 410 C LYS A 28 -5.332 -11.412 0.353 1.00 0.00 C ATOM 411 O LYS A 28 -6.135 -10.555 0.723 1.00 0.00 O ATOM 412 CB LYS A 28 -6.192 -13.627 -0.421 1.00 0.00 C ATOM 413 CG LYS A 28 -6.647 -14.502 -1.576 1.00 0.00 C ATOM 414 CD LYS A 28 -7.705 -13.807 -2.412 1.00 0.00 C ATOM 415 CE LYS A 28 -8.167 -14.682 -3.566 1.00 0.00 C ATOM 416 NZ LYS A 28 -8.742 -15.970 -3.091 1.00 0.00 N ATOM 0 H LYS A 28 -4.153 -13.453 -1.796 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.357 -11.769 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.436 -14.162 0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.036 -13.453 0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.792 -14.753 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.045 -15.440 -1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.558 -13.552 -1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.305 -12.871 -2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.913 -14.146 -4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.325 -14.883 -4.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.255 -16.430 -3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.976 -16.593 -2.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.398 -15.788 -2.305 1.00 0.00 H new ATOM 430 N VAL A 29 -4.177 -11.637 0.967 1.00 0.00 N ATOM 431 CA VAL A 29 -3.776 -10.872 2.138 1.00 0.00 C ATOM 432 C VAL A 29 -3.759 -9.383 1.829 1.00 0.00 C ATOM 433 O VAL A 29 -4.175 -8.564 2.647 1.00 0.00 O ATOM 434 CB VAL A 29 -2.384 -11.307 2.640 1.00 0.00 C ATOM 435 CG1 VAL A 29 -1.919 -10.424 3.787 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.405 -12.768 3.059 1.00 0.00 C ATOM 0 H VAL A 29 -3.503 -12.343 0.673 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.508 -11.069 2.921 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.674 -11.193 1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.935 -10.752 4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.861 -9.389 3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.627 -10.497 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.415 -13.060 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.130 -12.906 3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.684 -13.387 2.206 1.00 0.00 H new ATOM 446 N VAL A 30 -3.289 -9.043 0.638 1.00 0.00 N ATOM 447 CA VAL A 30 -3.239 -7.653 0.222 1.00 0.00 C ATOM 448 C VAL A 30 -4.658 -7.092 0.137 1.00 0.00 C ATOM 449 O VAL A 30 -4.941 -6.016 0.659 1.00 0.00 O ATOM 450 CB VAL A 30 -2.538 -7.498 -1.138 1.00 0.00 C ATOM 451 CG1 VAL A 30 -2.222 -6.037 -1.411 1.00 0.00 C ATOM 452 CG2 VAL A 30 -1.274 -8.344 -1.192 1.00 0.00 C ATOM 0 H VAL A 30 -2.939 -9.707 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.664 -7.098 0.963 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.215 -7.852 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.726 -5.946 -2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.147 -5.461 -1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.566 -5.654 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.794 -8.219 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.590 -8.026 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.532 -9.393 -1.047 1.00 0.00 H new ATOM 462 N LYS A 31 -5.560 -7.844 -0.507 1.00 0.00 N ATOM 463 CA LYS A 31 -6.957 -7.424 -0.627 1.00 0.00 C ATOM 464 C LYS A 31 -7.494 -6.967 0.723 1.00 0.00 C ATOM 465 O LYS A 31 -8.114 -5.910 0.831 1.00 0.00 O ATOM 466 CB LYS A 31 -7.832 -8.558 -1.174 1.00 0.00 C ATOM 467 CG LYS A 31 -7.766 -8.720 -2.684 1.00 0.00 C ATOM 468 CD LYS A 31 -6.345 -8.928 -3.171 1.00 0.00 C ATOM 469 CE LYS A 31 -6.288 -9.021 -4.689 1.00 0.00 C ATOM 470 NZ LYS A 31 -6.976 -7.874 -5.342 1.00 0.00 N ATOM 0 H LYS A 31 -5.347 -8.739 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.993 -6.591 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.529 -9.494 -0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.867 -8.376 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.380 -9.569 -2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.188 -7.836 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.718 -8.104 -2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.938 -9.840 -2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.247 -9.052 -5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.750 -9.954 -5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.885 -7.957 -6.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.983 -7.879 -5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.541 -6.983 -5.027 1.00 0.00 H new ATOM 484 N GLN A 32 -7.226 -7.760 1.752 1.00 0.00 N ATOM 485 CA GLN A 32 -7.664 -7.418 3.097 1.00 0.00 C ATOM 486 C GLN A 32 -6.868 -6.215 3.585 1.00 0.00 C ATOM 487 O GLN A 32 -7.395 -5.326 4.255 1.00 0.00 O ATOM 488 CB GLN A 32 -7.467 -8.605 4.043 1.00 0.00 C ATOM 489 CG GLN A 32 -8.033 -8.376 5.436 1.00 0.00 C ATOM 490 CD GLN A 32 -9.551 -8.229 5.468 1.00 0.00 C ATOM 491 OE1 GLN A 32 -10.220 -8.471 4.341 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -10.124 -7.915 6.512 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.711 -8.638 1.682 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.726 -7.172 3.081 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.939 -9.487 3.609 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.402 -8.821 4.124 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.745 -9.209 6.077 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.582 -7.478 5.858 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.582 -7.737 7.357 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.141 -7.833 6.531 1.00 0.00 H new ATOM 501 N PHE A 33 -5.589 -6.204 3.227 1.00 0.00 N ATOM 502 CA PHE A 33 -4.679 -5.128 3.597 1.00 0.00 C ATOM 503 C PHE A 33 -5.226 -3.770 3.143 1.00 0.00 C ATOM 504 O PHE A 33 -5.364 -2.848 3.943 1.00 0.00 O ATOM 505 CB PHE A 33 -3.306 -5.395 2.964 1.00 0.00 C ATOM 506 CG PHE A 33 -2.219 -4.468 3.423 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.592 -4.680 4.638 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.814 -3.393 2.639 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.585 -3.840 5.068 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.806 -2.551 3.068 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.193 -2.776 4.285 1.00 0.00 C ATOM 0 H PHE A 33 -5.154 -6.941 2.672 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.581 -5.098 4.682 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.010 -6.420 3.187 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.398 -5.318 1.881 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.894 -5.512 5.257 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.291 -3.215 1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.104 -4.017 6.019 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.498 -1.718 2.453 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.594 -2.118 4.623 1.00 0.00 H new ATOM 521 N PHE A 34 -5.548 -3.670 1.857 1.00 0.00 N ATOM 522 CA PHE A 34 -6.087 -2.432 1.295 1.00 0.00 C ATOM 523 C PHE A 34 -7.550 -2.249 1.659 1.00 0.00 C ATOM 524 O PHE A 34 -7.984 -1.143 1.982 1.00 0.00 O ATOM 525 CB PHE A 34 -5.882 -2.405 -0.217 1.00 0.00 C ATOM 526 CG PHE A 34 -4.430 -2.372 -0.580 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.557 -1.556 0.124 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.930 -3.166 -1.597 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.215 -1.533 -0.178 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.583 -3.140 -1.906 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.728 -2.324 -1.192 1.00 0.00 C ATOM 0 H PHE A 34 -5.446 -4.429 1.184 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.542 -1.594 1.729 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.348 -3.284 -0.663 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.382 -1.532 -0.636 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.935 -0.931 0.919 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.596 -3.810 -2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.546 -0.895 0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.200 -3.757 -2.705 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.675 -2.307 -1.430 1.00 0.00 H new ATOM 541 N ASN A 35 -8.304 -3.335 1.633 1.00 0.00 N ATOM 542 CA ASN A 35 -9.715 -3.287 1.991 1.00 0.00 C ATOM 543 C ASN A 35 -9.891 -2.573 3.329 1.00 0.00 C ATOM 544 O ASN A 35 -10.850 -1.830 3.538 1.00 0.00 O ATOM 545 CB ASN A 35 -10.274 -4.706 2.090 1.00 0.00 C ATOM 546 CG ASN A 35 -11.708 -4.736 2.576 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.018 -4.256 3.666 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.587 -5.306 1.771 1.00 0.00 N ATOM 0 H ASN A 35 -7.965 -4.260 1.368 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.256 -2.739 1.220 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.216 -5.184 1.112 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.652 -5.291 2.768 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.568 -5.361 2.044 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.284 -5.691 0.876 1.00 0.00 H new ATOM 555 N ASP A 36 -8.950 -2.822 4.229 1.00 0.00 N ATOM 556 CA ASP A 36 -8.973 -2.228 5.562 1.00 0.00 C ATOM 557 C ASP A 36 -8.149 -0.943 5.645 1.00 0.00 C ATOM 558 O ASP A 36 -8.425 -0.089 6.488 1.00 0.00 O ATOM 559 CB ASP A 36 -8.482 -3.235 6.604 1.00 0.00 C ATOM 560 CG ASP A 36 -9.339 -4.486 6.651 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.309 -4.572 5.869 1.00 0.00 O ATOM 562 OD2 ASP A 36 -9.038 -5.380 7.470 1.00 0.00 O ATOM 0 H ASP A 36 -8.154 -3.437 4.060 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.009 -1.962 5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.452 -3.512 6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.478 -2.764 7.587 1.00 0.00 H new ATOM 567 N ASN A 37 -7.162 -0.779 4.766 1.00 0.00 N ATOM 568 CA ASN A 37 -6.360 0.443 4.777 1.00 0.00 C ATOM 569 C ASN A 37 -7.149 1.563 4.125 1.00 0.00 C ATOM 570 O ASN A 37 -7.229 2.671 4.653 1.00 0.00 O ATOM 571 CB ASN A 37 -5.028 0.257 4.042 1.00 0.00 C ATOM 572 CG ASN A 37 -4.056 -0.635 4.791 1.00 0.00 C ATOM 573 OD1 ASN A 37 -3.927 -0.543 6.011 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.334 -1.475 4.056 1.00 0.00 N ATOM 0 H ASN A 37 -6.902 -1.460 4.052 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.134 0.691 5.814 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.219 -0.170 3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.568 1.232 3.883 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.640 -2.076 4.501 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.474 -1.519 3.047 1.00 0.00 H new ATOM 581 N GLY A 38 -7.736 1.236 2.973 1.00 0.00 N ATOM 582 CA GLY A 38 -8.547 2.162 2.196 1.00 0.00 C ATOM 583 C GLY A 38 -8.775 3.524 2.828 1.00 0.00 C ATOM 584 O GLY A 38 -7.832 4.275 3.079 1.00 0.00 O ATOM 0 H GLY A 38 -7.658 0.310 2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.072 2.307 1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.517 1.700 2.011 1.00 0.00 H new ATOM 588 N VAL A 39 -10.044 3.864 3.008 1.00 0.00 N ATOM 589 CA VAL A 39 -10.422 5.173 3.535 1.00 0.00 C ATOM 590 C VAL A 39 -11.044 5.123 4.930 1.00 0.00 C ATOM 591 O VAL A 39 -11.488 6.153 5.440 1.00 0.00 O ATOM 592 CB VAL A 39 -11.435 5.834 2.595 1.00 0.00 C ATOM 593 CG1 VAL A 39 -11.745 7.260 3.032 1.00 0.00 C ATOM 594 CG2 VAL A 39 -10.934 5.804 1.159 1.00 0.00 C ATOM 0 H VAL A 39 -10.832 3.252 2.797 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.495 5.742 3.605 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.362 5.263 2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.467 7.702 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.162 7.249 4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.829 7.850 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.668 6.278 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.988 6.342 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.786 4.770 0.847 1.00 0.00 H new ATOM 604 N ASP A 40 -11.090 3.958 5.555 1.00 0.00 N ATOM 605 CA ASP A 40 -11.683 3.855 6.890 1.00 0.00 C ATOM 606 C ASP A 40 -10.716 3.243 7.904 1.00 0.00 C ATOM 607 O ASP A 40 -11.124 2.855 8.999 1.00 0.00 O ATOM 608 CB ASP A 40 -12.963 3.020 6.831 1.00 0.00 C ATOM 609 CG ASP A 40 -14.008 3.624 5.912 1.00 0.00 C ATOM 610 OD1 ASP A 40 -13.720 3.778 4.707 1.00 0.00 O ATOM 611 OD2 ASP A 40 -15.113 3.942 6.398 1.00 0.00 O ATOM 0 H ASP A 40 -10.733 3.082 5.174 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.915 4.867 7.222 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.721 2.014 6.489 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.378 2.925 7.835 1.00 0.00 H new ATOM 616 N GLY A 41 -9.440 3.152 7.542 1.00 0.00 N ATOM 617 CA GLY A 41 -8.456 2.579 8.445 1.00 0.00 C ATOM 618 C GLY A 41 -7.949 3.571 9.478 1.00 0.00 C ATOM 619 O GLY A 41 -8.306 4.749 9.448 1.00 0.00 O ATOM 0 H GLY A 41 -9.070 3.463 6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.896 1.723 8.957 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.613 2.205 7.864 1.00 0.00 H new ATOM 623 N GLU A 42 -7.101 3.091 10.385 1.00 0.00 N ATOM 624 CA GLU A 42 -6.525 3.936 11.429 1.00 0.00 C ATOM 625 C GLU A 42 -5.141 4.415 11.008 1.00 0.00 C ATOM 626 O GLU A 42 -4.174 3.653 11.041 1.00 0.00 O ATOM 627 CB GLU A 42 -6.436 3.170 12.750 1.00 0.00 C ATOM 628 CG GLU A 42 -7.781 2.687 13.266 1.00 0.00 C ATOM 629 CD GLU A 42 -7.666 1.932 14.576 1.00 0.00 C ATOM 630 OE1 GLU A 42 -6.969 0.896 14.604 1.00 0.00 O ATOM 631 OE2 GLU A 42 -8.272 2.377 15.573 1.00 0.00 O ATOM 0 H GLU A 42 -6.797 2.118 10.418 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.172 4.801 11.573 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.777 2.312 12.619 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.977 3.812 13.502 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.443 3.543 13.401 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.242 2.042 12.518 1.00 0.00 H new ATOM 638 N TRP A 43 -5.058 5.671 10.578 1.00 0.00 N ATOM 639 CA TRP A 43 -3.797 6.234 10.112 1.00 0.00 C ATOM 640 C TRP A 43 -3.116 7.103 11.164 1.00 0.00 C ATOM 641 O TRP A 43 -3.664 8.116 11.601 1.00 0.00 O ATOM 642 CB TRP A 43 -4.039 7.078 8.865 1.00 0.00 C ATOM 643 CG TRP A 43 -4.649 6.326 7.725 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.601 5.346 7.786 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.351 6.509 6.340 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.908 4.911 6.520 1.00 0.00 N ATOM 647 CE2 TRP A 43 -5.154 5.610 5.616 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.482 7.350 5.646 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -5.110 5.527 4.228 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.439 7.269 4.271 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.251 6.364 3.572 1.00 0.00 C ATOM 0 H TRP A 43 -5.848 6.316 10.543 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.139 5.393 9.893 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.690 7.912 9.125 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.090 7.504 8.538 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.046 4.970 8.695 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.587 4.185 6.291 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.855 8.051 6.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.731 4.827 3.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.768 7.914 3.722 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.197 6.328 2.494 1.00 0.00 H new ATOM 662 N THR A 44 -1.899 6.719 11.539 1.00 0.00 N ATOM 663 CA THR A 44 -1.119 7.481 12.504 1.00 0.00 C ATOM 664 C THR A 44 0.017 8.201 11.781 1.00 0.00 C ATOM 665 O THR A 44 0.676 7.618 10.920 1.00 0.00 O ATOM 666 CB THR A 44 -0.560 6.562 13.592 1.00 0.00 C ATOM 667 OG1 THR A 44 0.245 5.545 13.025 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.635 5.888 14.417 1.00 0.00 C ATOM 0 H THR A 44 -1.433 5.883 11.187 1.00 0.00 H new ATOM 0 HA THR A 44 -1.765 8.216 12.983 1.00 0.00 H new ATOM 0 HB THR A 44 0.024 7.211 14.245 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.625 5.862 12.179 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.170 5.251 15.170 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.245 6.646 14.909 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.265 5.281 13.767 1.00 0.00 H new ATOM 676 N TYR A 45 0.234 9.469 12.114 1.00 0.00 N ATOM 677 CA TYR A 45 1.282 10.253 11.465 1.00 0.00 C ATOM 678 C TYR A 45 2.421 10.569 12.431 1.00 0.00 C ATOM 679 O TYR A 45 2.198 10.798 13.620 1.00 0.00 O ATOM 680 CB TYR A 45 0.694 11.552 10.903 1.00 0.00 C ATOM 681 CG TYR A 45 1.665 12.354 10.064 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.587 11.725 9.237 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.656 13.742 10.097 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.472 12.454 8.467 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.539 14.480 9.329 1.00 0.00 C ATOM 686 CZ TYR A 45 3.444 13.831 8.516 1.00 0.00 C ATOM 687 OH TYR A 45 4.324 14.562 7.752 1.00 0.00 O ATOM 0 H TYR A 45 -0.297 9.974 12.824 1.00 0.00 H new ATOM 0 HA TYR A 45 1.690 9.658 10.648 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.180 11.311 10.298 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.348 12.171 11.731 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.612 10.646 9.195 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.948 14.254 10.732 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.182 11.948 7.830 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.520 15.559 9.366 1.00 0.00 H new ATOM 0 HH TYR A 45 4.171 15.518 7.902 1.00 0.00 H new ATOM 697 N ASP A 46 3.644 10.585 11.907 1.00 0.00 N ATOM 698 CA ASP A 46 4.823 10.879 12.713 1.00 0.00 C ATOM 699 C ASP A 46 5.591 12.063 12.130 1.00 0.00 C ATOM 700 O ASP A 46 6.557 11.884 11.386 1.00 0.00 O ATOM 701 CB ASP A 46 5.734 9.651 12.790 1.00 0.00 C ATOM 702 CG ASP A 46 6.971 9.893 13.636 1.00 0.00 C ATOM 703 OD1 ASP A 46 7.120 11.016 14.163 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.789 8.959 13.769 1.00 0.00 O ATOM 0 H ASP A 46 3.843 10.397 10.924 1.00 0.00 H new ATOM 0 HA ASP A 46 4.494 11.139 13.719 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.173 8.813 13.204 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.038 9.365 11.783 1.00 0.00 H new ATOM 709 N ASP A 47 5.154 13.274 12.470 1.00 0.00 N ATOM 710 CA ASP A 47 5.796 14.491 11.979 1.00 0.00 C ATOM 711 C ASP A 47 7.313 14.427 12.144 1.00 0.00 C ATOM 712 O ASP A 47 8.061 14.911 11.296 1.00 0.00 O ATOM 713 CB ASP A 47 5.251 15.712 12.724 1.00 0.00 C ATOM 714 CG ASP A 47 3.755 15.881 12.546 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.314 16.071 11.394 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.026 15.824 13.559 1.00 0.00 O ATOM 0 H ASP A 47 4.357 13.438 13.085 1.00 0.00 H new ATOM 0 HA ASP A 47 5.570 14.579 10.916 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.479 15.617 13.786 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.759 16.608 12.368 1.00 0.00 H new ATOM 721 N ALA A 48 7.755 13.834 13.247 1.00 0.00 N ATOM 722 CA ALA A 48 9.179 13.714 13.536 1.00 0.00 C ATOM 723 C ALA A 48 9.946 13.077 12.381 1.00 0.00 C ATOM 724 O ALA A 48 11.097 13.428 12.123 1.00 0.00 O ATOM 725 CB ALA A 48 9.389 12.910 14.811 1.00 0.00 C ATOM 0 H ALA A 48 7.146 13.428 13.957 1.00 0.00 H new ATOM 0 HA ALA A 48 9.571 14.722 13.673 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.456 12.827 15.017 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.897 13.413 15.643 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.965 11.914 14.687 1.00 0.00 H new ATOM 731 N THR A 49 9.312 12.132 11.695 1.00 0.00 N ATOM 732 CA THR A 49 9.953 11.446 10.577 1.00 0.00 C ATOM 733 C THR A 49 9.243 11.724 9.251 1.00 0.00 C ATOM 734 O THR A 49 9.532 11.078 8.245 1.00 0.00 O ATOM 735 CB THR A 49 9.990 9.940 10.836 1.00 0.00 C ATOM 736 OG1 THR A 49 8.681 9.425 10.994 1.00 0.00 O ATOM 737 CG2 THR A 49 10.784 9.564 12.069 1.00 0.00 C ATOM 0 H THR A 49 8.360 11.824 11.891 1.00 0.00 H new ATOM 0 HA THR A 49 10.969 11.832 10.498 1.00 0.00 H new ATOM 0 HB THR A 49 10.480 9.509 9.963 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.727 8.460 11.157 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.770 8.481 12.195 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.814 9.903 11.956 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.341 10.037 12.945 1.00 0.00 H new ATOM 745 N LYS A 50 8.319 12.683 9.247 1.00 0.00 N ATOM 746 CA LYS A 50 7.593 13.021 8.023 1.00 0.00 C ATOM 747 C LYS A 50 7.047 11.764 7.353 1.00 0.00 C ATOM 748 O LYS A 50 7.007 11.672 6.125 1.00 0.00 O ATOM 749 CB LYS A 50 8.525 13.754 7.054 1.00 0.00 C ATOM 750 CG LYS A 50 8.854 15.179 7.474 1.00 0.00 C ATOM 751 CD LYS A 50 7.745 16.151 7.096 1.00 0.00 C ATOM 752 CE LYS A 50 7.871 16.617 5.653 1.00 0.00 C ATOM 753 NZ LYS A 50 7.758 15.496 4.681 1.00 0.00 N ATOM 0 H LYS A 50 8.057 13.233 10.065 1.00 0.00 H new ATOM 0 HA LYS A 50 6.756 13.667 8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.453 13.190 6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.064 13.774 6.067 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.015 15.212 8.552 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.786 15.491 7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.777 15.672 7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.776 17.014 7.761 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.096 17.355 5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.831 17.116 5.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.731 15.877 3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.578 14.865 4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.885 14.962 4.867 1.00 0.00 H new ATOM 767 N THR A 51 6.645 10.790 8.163 1.00 0.00 N ATOM 768 CA THR A 51 6.124 9.534 7.634 1.00 0.00 C ATOM 769 C THR A 51 4.760 9.190 8.226 1.00 0.00 C ATOM 770 O THR A 51 4.483 9.473 9.391 1.00 0.00 O ATOM 771 CB THR A 51 7.108 8.400 7.919 1.00 0.00 C ATOM 772 OG1 THR A 51 8.383 8.693 7.377 1.00 0.00 O ATOM 773 CG2 THR A 51 6.666 7.067 7.354 1.00 0.00 C ATOM 0 H THR A 51 6.669 10.845 9.181 1.00 0.00 H new ATOM 0 HA THR A 51 6.001 9.656 6.558 1.00 0.00 H new ATOM 0 HB THR A 51 7.149 8.321 9.005 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.745 9.495 7.808 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.410 6.306 7.592 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.707 6.787 7.791 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.562 7.147 6.272 1.00 0.00 H new ATOM 781 N PHE A 52 3.920 8.560 7.409 1.00 0.00 N ATOM 782 CA PHE A 52 2.586 8.149 7.834 1.00 0.00 C ATOM 783 C PHE A 52 2.525 6.630 7.949 1.00 0.00 C ATOM 784 O PHE A 52 3.089 5.922 7.121 1.00 0.00 O ATOM 785 CB PHE A 52 1.531 8.617 6.829 1.00 0.00 C ATOM 786 CG PHE A 52 1.575 10.089 6.522 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.685 10.651 5.911 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.500 10.906 6.833 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.721 12.002 5.618 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.531 12.256 6.541 1.00 0.00 C ATOM 791 CZ PHE A 52 1.642 12.804 5.934 1.00 0.00 C ATOM 0 H PHE A 52 4.142 8.322 6.442 1.00 0.00 H new ATOM 0 HA PHE A 52 2.381 8.603 8.803 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.659 8.061 5.901 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.543 8.368 7.216 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.531 10.027 5.661 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.372 10.483 7.309 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.592 12.429 5.143 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.314 12.882 6.788 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.668 13.859 5.706 1.00 0.00 H new ATOM 801 N THR A 53 1.832 6.126 8.963 1.00 0.00 N ATOM 802 CA THR A 53 1.703 4.684 9.147 1.00 0.00 C ATOM 803 C THR A 53 0.250 4.235 9.117 1.00 0.00 C ATOM 804 O THR A 53 -0.595 4.755 9.847 1.00 0.00 O ATOM 805 CB THR A 53 2.360 4.228 10.451 1.00 0.00 C ATOM 806 OG1 THR A 53 2.121 5.156 11.493 1.00 0.00 O ATOM 807 CG2 THR A 53 3.852 4.010 10.334 1.00 0.00 C ATOM 0 H THR A 53 1.354 6.689 9.666 1.00 0.00 H new ATOM 0 HA THR A 53 2.221 4.216 8.310 1.00 0.00 H new ATOM 0 HB THR A 53 1.899 3.267 10.681 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.670 4.704 12.236 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.249 3.688 11.297 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.050 3.243 9.585 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.334 4.941 10.036 1.00 0.00 H new ATOM 815 N VAL A 54 -0.019 3.241 8.281 1.00 0.00 N ATOM 816 CA VAL A 54 -1.353 2.676 8.156 1.00 0.00 C ATOM 817 C VAL A 54 -1.369 1.292 8.788 1.00 0.00 C ATOM 818 O VAL A 54 -0.770 0.354 8.264 1.00 0.00 O ATOM 819 CB VAL A 54 -1.793 2.572 6.683 1.00 0.00 C ATOM 820 CG1 VAL A 54 -3.216 2.045 6.580 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.666 3.921 5.991 1.00 0.00 C ATOM 0 H VAL A 54 0.677 2.807 7.675 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.052 3.338 8.667 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.134 1.865 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.505 1.980 5.531 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.271 1.055 7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.893 2.721 7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.981 3.828 4.952 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.298 4.651 6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.628 4.252 6.027 1.00 0.00 H new ATOM 831 N THR A 55 -2.034 1.173 9.931 1.00 0.00 N ATOM 832 CA THR A 55 -2.088 -0.101 10.630 1.00 0.00 C ATOM 833 C THR A 55 -3.402 -0.826 10.363 1.00 0.00 C ATOM 834 O THR A 55 -4.468 -0.385 10.793 1.00 0.00 O ATOM 835 CB THR A 55 -1.882 0.100 12.129 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.886 1.080 12.369 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.440 -1.164 12.833 1.00 0.00 C ATOM 0 H THR A 55 -2.537 1.934 10.387 1.00 0.00 H new ATOM 0 HA THR A 55 -1.280 -0.724 10.248 1.00 0.00 H new ATOM 0 HB THR A 55 -2.851 0.411 12.520 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.768 1.197 13.335 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.309 -0.962 13.896 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.197 -1.937 12.701 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.495 -1.505 12.410 1.00 0.00 H new ATOM 845 N GLU A 56 -3.311 -1.943 9.651 1.00 0.00 N ATOM 846 CA GLU A 56 -4.480 -2.743 9.317 1.00 0.00 C ATOM 847 C GLU A 56 -5.133 -3.305 10.575 1.00 0.00 C ATOM 848 O GLU A 56 -4.407 -3.895 11.404 1.00 0.00 O ATOM 849 CB GLU A 56 -4.084 -3.882 8.375 1.00 0.00 C ATOM 850 CG GLU A 56 -5.243 -4.785 7.985 1.00 0.00 C ATOM 851 CD GLU A 56 -4.820 -5.913 7.062 1.00 0.00 C ATOM 852 OE1 GLU A 56 -3.620 -5.982 6.719 1.00 0.00 O ATOM 853 OE2 GLU A 56 -5.688 -6.725 6.680 1.00 0.00 O ATOM 854 OXT GLU A 56 -6.363 -3.153 10.722 1.00 0.00 O ATOM 0 H GLU A 56 -2.432 -2.316 9.292 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.204 -2.100 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.645 -3.458 7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.311 -4.484 8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.690 -5.206 8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.014 -4.190 7.495 1.00 0.00 H new ATOM 862 N MET B 1 6.561 18.565 -2.367 1.00 0.00 N ATOM 863 CA MET B 1 7.209 17.892 -1.212 1.00 0.00 C ATOM 864 C MET B 1 6.893 16.399 -1.215 1.00 0.00 C ATOM 865 O MET B 1 5.800 15.988 -1.607 1.00 0.00 O ATOM 866 CB MET B 1 6.701 18.553 0.074 1.00 0.00 C ATOM 867 CG MET B 1 7.537 18.234 1.305 1.00 0.00 C ATOM 868 SD MET B 1 7.097 19.264 2.717 1.00 0.00 S ATOM 869 CE MET B 1 8.432 18.875 3.846 1.00 0.00 C ATOM 0 H1 MET B 1 7.255 19.172 -2.849 1.00 0.00 H new ATOM 0 H2 MET B 1 6.206 17.848 -3.032 1.00 0.00 H new ATOM 0 H3 MET B 1 5.768 19.147 -2.029 1.00 0.00 H new ATOM 0 HA MET B 1 8.292 17.996 -1.278 1.00 0.00 H new ATOM 0 HB2 MET B 1 6.680 19.633 -0.069 1.00 0.00 H new ATOM 0 HB3 MET B 1 5.674 18.235 0.253 1.00 0.00 H new ATOM 0 HG2 MET B 1 7.405 17.185 1.569 1.00 0.00 H new ATOM 0 HG3 MET B 1 8.592 18.374 1.071 1.00 0.00 H new ATOM 0 HE1 MET B 1 8.117 19.084 4.868 1.00 0.00 H new ATOM 0 HE2 MET B 1 8.690 17.820 3.754 1.00 0.00 H new ATOM 0 HE3 MET B 1 9.303 19.484 3.603 1.00 0.00 H new ATOM 881 N GLN B 2 7.852 15.589 -0.782 1.00 0.00 N ATOM 882 CA GLN B 2 7.669 14.143 -0.746 1.00 0.00 C ATOM 883 C GLN B 2 7.482 13.648 0.684 1.00 0.00 C ATOM 884 O GLN B 2 8.133 14.133 1.609 1.00 0.00 O ATOM 885 CB GLN B 2 8.867 13.440 -1.389 1.00 0.00 C ATOM 886 CG GLN B 2 8.751 11.924 -1.400 1.00 0.00 C ATOM 887 CD GLN B 2 9.953 11.252 -2.034 1.00 0.00 C ATOM 888 OE1 GLN B 2 11.084 11.412 -1.572 1.00 0.00 O ATOM 889 NE2 GLN B 2 9.715 10.494 -3.097 1.00 0.00 N ATOM 0 H GLN B 2 8.763 15.908 -0.451 1.00 0.00 H new ATOM 0 HA GLN B 2 6.768 13.905 -1.311 1.00 0.00 H new ATOM 0 HB2 GLN B 2 8.978 13.795 -2.414 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.773 13.723 -0.854 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.636 11.565 -0.377 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.850 11.636 -1.942 1.00 0.00 H new ATOM 0 HE21 GLN B 2 8.762 10.389 -3.446 1.00 0.00 H new ATOM 0 HE22 GLN B 2 10.485 10.016 -3.565 1.00 0.00 H new ATOM 898 N TYR B 3 6.592 12.677 0.856 1.00 0.00 N ATOM 899 CA TYR B 3 6.323 12.113 2.172 1.00 0.00 C ATOM 900 C TYR B 3 6.437 10.594 2.143 1.00 0.00 C ATOM 901 O TYR B 3 6.141 9.959 1.130 1.00 0.00 O ATOM 902 CB TYR B 3 4.927 12.517 2.652 1.00 0.00 C ATOM 903 CG TYR B 3 4.753 14.010 2.827 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.593 14.844 1.729 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.748 14.582 4.093 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.431 16.208 1.886 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.588 15.945 4.258 1.00 0.00 C ATOM 908 CZ TYR B 3 4.431 16.752 3.152 1.00 0.00 C ATOM 909 OH TYR B 3 4.269 18.110 3.314 1.00 0.00 O ATOM 0 H TYR B 3 6.045 12.265 0.100 1.00 0.00 H new ATOM 0 HA TYR B 3 7.066 12.507 2.865 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.188 12.155 1.937 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.721 12.022 3.601 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.595 14.420 0.736 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.871 13.952 4.962 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.305 16.843 1.022 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.586 16.375 5.249 1.00 0.00 H new ATOM 0 HH TYR B 3 5.134 18.558 3.207 1.00 0.00 H new ATOM 919 N LYS B 4 6.862 10.017 3.260 1.00 0.00 N ATOM 920 CA LYS B 4 7.008 8.571 3.362 1.00 0.00 C ATOM 921 C LYS B 4 5.756 7.955 3.975 1.00 0.00 C ATOM 922 O LYS B 4 5.221 8.463 4.958 1.00 0.00 O ATOM 923 CB LYS B 4 8.230 8.217 4.209 1.00 0.00 C ATOM 924 CG LYS B 4 8.459 6.719 4.351 1.00 0.00 C ATOM 925 CD LYS B 4 8.656 6.033 3.007 1.00 0.00 C ATOM 926 CE LYS B 4 10.010 6.359 2.384 1.00 0.00 C ATOM 927 NZ LYS B 4 10.121 7.785 1.976 1.00 0.00 N ATOM 0 H LYS B 4 7.111 10.528 4.107 1.00 0.00 H new ATOM 0 HA LYS B 4 7.146 8.167 2.359 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.115 8.671 3.763 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.113 8.654 5.201 1.00 0.00 H new ATOM 0 HG2 LYS B 4 9.335 6.546 4.976 1.00 0.00 H new ATOM 0 HG3 LYS B 4 7.608 6.271 4.863 1.00 0.00 H new ATOM 0 HD2 LYS B 4 8.568 4.954 3.136 1.00 0.00 H new ATOM 0 HD3 LYS B 4 7.862 6.339 2.326 1.00 0.00 H new ATOM 0 HE2 LYS B 4 10.800 6.126 3.098 1.00 0.00 H new ATOM 0 HE3 LYS B 4 10.169 5.722 1.514 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 10.603 7.846 1.056 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 9.170 8.198 1.897 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 10.668 8.309 2.689 1.00 0.00 H new ATOM 941 N VAL B 5 5.290 6.862 3.387 1.00 0.00 N ATOM 942 CA VAL B 5 4.099 6.187 3.877 1.00 0.00 C ATOM 943 C VAL B 5 4.400 4.734 4.233 1.00 0.00 C ATOM 944 O VAL B 5 4.778 3.936 3.379 1.00 0.00 O ATOM 945 CB VAL B 5 2.960 6.239 2.838 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.695 5.597 3.385 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.694 7.676 2.415 1.00 0.00 C ATOM 0 H VAL B 5 5.719 6.425 2.571 1.00 0.00 H new ATOM 0 HA VAL B 5 3.777 6.713 4.776 1.00 0.00 H new ATOM 0 HB VAL B 5 3.272 5.672 1.961 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.907 5.647 2.633 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.894 4.555 3.633 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.375 6.129 4.281 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.888 7.696 1.682 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.407 8.265 3.286 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.597 8.098 1.973 1.00 0.00 H new ATOM 957 N ILE B 6 4.232 4.404 5.505 1.00 0.00 N ATOM 958 CA ILE B 6 4.479 3.056 5.992 1.00 0.00 C ATOM 959 C ILE B 6 3.172 2.275 6.111 1.00 0.00 C ATOM 960 O ILE B 6 2.275 2.656 6.860 1.00 0.00 O ATOM 961 CB ILE B 6 5.190 3.094 7.361 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.595 3.679 7.213 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.252 1.707 7.980 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.343 3.795 8.523 1.00 0.00 C ATOM 0 H ILE B 6 3.923 5.058 6.224 1.00 0.00 H new ATOM 0 HA ILE B 6 5.124 2.553 5.272 1.00 0.00 H new ATOM 0 HB ILE B 6 4.613 3.735 8.028 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.170 3.054 6.530 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.522 4.666 6.757 1.00 0.00 H new ATOM 0 HG21 ILE B 6 5.758 1.761 8.944 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.241 1.326 8.122 1.00 0.00 H new ATOM 0 HG23 ILE B 6 5.802 1.038 7.319 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.331 4.217 8.341 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.790 4.444 9.202 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.447 2.807 8.971 1.00 0.00 H new ATOM 976 N LEU B 7 3.067 1.184 5.361 1.00 0.00 N ATOM 977 CA LEU B 7 1.866 0.360 5.380 1.00 0.00 C ATOM 978 C LEU B 7 2.086 -0.881 6.244 1.00 0.00 C ATOM 979 O LEU B 7 2.516 -1.925 5.754 1.00 0.00 O ATOM 980 CB LEU B 7 1.489 -0.034 3.948 1.00 0.00 C ATOM 981 CG LEU B 7 1.668 1.071 2.910 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.153 0.612 1.552 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.965 2.344 3.360 1.00 0.00 C ATOM 0 H LEU B 7 3.798 0.850 4.733 1.00 0.00 H new ATOM 0 HA LEU B 7 1.046 0.932 5.814 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.092 -0.892 3.652 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.448 -0.357 3.938 1.00 0.00 H new ATOM 0 HG LEU B 7 2.731 1.290 2.813 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.288 1.411 0.823 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.708 -0.269 1.231 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.094 0.366 1.629 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.103 3.121 2.608 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.099 2.146 3.487 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.387 2.677 4.308 1.00 0.00 H new ATOM 995 N ASN B 8 1.804 -0.749 7.543 1.00 0.00 N ATOM 996 CA ASN B 8 1.988 -1.849 8.490 1.00 0.00 C ATOM 997 C ASN B 8 0.700 -2.633 8.726 1.00 0.00 C ATOM 998 O ASN B 8 -0.196 -2.170 9.424 1.00 0.00 O ATOM 999 CB ASN B 8 2.503 -1.316 9.833 1.00 0.00 C ATOM 1000 CG ASN B 8 3.941 -0.822 9.789 1.00 0.00 C ATOM 1001 OD1 ASN B 8 4.595 -0.953 8.639 1.00 0.00 O flip ATOM 1002 ND2 ASN B 8 4.464 -0.330 10.788 1.00 0.00 N flip ATOM 0 H ASN B 8 1.447 0.110 7.962 1.00 0.00 H new ATOM 0 HA ASN B 8 2.720 -2.525 8.048 1.00 0.00 H new ATOM 0 HB2 ASN B 8 1.859 -0.500 10.160 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.423 -2.105 10.581 1.00 0.00 H new ATOM 0 HD21 ASN B 8 3.931 -0.246 11.654 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.431 -0.007 10.751 1.00 0.00 H new ATOM 1009 N GLY B 9 0.619 -3.829 8.154 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.562 -4.654 8.334 1.00 0.00 C ATOM 1011 C GLY B 9 -0.285 -5.871 9.193 1.00 0.00 C ATOM 1012 O GLY B 9 0.787 -5.988 9.790 1.00 0.00 O ATOM 0 H GLY B 9 1.347 -4.241 7.571 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -1.352 -4.059 8.793 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.930 -4.975 7.360 1.00 0.00 H new ATOM 1016 N LYS B 10 -1.252 -6.776 9.264 1.00 0.00 N ATOM 1017 CA LYS B 10 -1.108 -7.989 10.060 1.00 0.00 C ATOM 1018 C LYS B 10 -0.158 -8.978 9.391 1.00 0.00 C ATOM 1019 O LYS B 10 0.817 -9.420 9.997 1.00 0.00 O ATOM 1020 CB LYS B 10 -2.472 -8.645 10.280 1.00 0.00 C ATOM 1021 CG LYS B 10 -3.462 -7.761 11.020 1.00 0.00 C ATOM 1022 CD LYS B 10 -4.797 -8.461 11.217 1.00 0.00 C ATOM 1023 CE LYS B 10 -5.785 -7.578 11.965 1.00 0.00 C ATOM 1024 NZ LYS B 10 -5.284 -7.206 13.317 1.00 0.00 N ATOM 0 H LYS B 10 -2.146 -6.693 8.780 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.686 -7.708 11.025 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.894 -8.918 9.313 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -2.335 -9.570 10.840 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -3.049 -7.484 11.990 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -3.614 -6.837 10.462 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -5.213 -8.733 10.247 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -4.645 -9.388 11.770 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -5.974 -6.674 11.386 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -6.737 -8.100 12.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -6.065 -6.813 13.881 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -4.906 -8.051 13.791 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -4.531 -6.494 13.225 1.00 0.00 H new ATOM 1038 N THR B 11 -0.455 -9.330 8.144 1.00 0.00 N ATOM 1039 CA THR B 11 0.358 -10.273 7.394 1.00 0.00 C ATOM 1040 C THR B 11 1.058 -9.590 6.228 1.00 0.00 C ATOM 1041 O THR B 11 1.581 -10.254 5.333 1.00 0.00 O ATOM 1042 CB THR B 11 -0.529 -11.396 6.870 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.753 -10.874 6.388 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.854 -12.444 7.906 1.00 0.00 C ATOM 0 H THR B 11 -1.260 -8.971 7.631 1.00 0.00 H new ATOM 0 HA THR B 11 1.121 -10.677 8.059 1.00 0.00 H new ATOM 0 HB THR B 11 0.046 -11.870 6.074 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.378 -11.610 6.217 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.488 -13.211 7.461 1.00 0.00 H new ATOM 0 HG22 THR B 11 0.069 -12.900 8.265 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.378 -11.980 8.742 1.00 0.00 H new ATOM 1052 N LEU B 12 1.049 -8.265 6.231 1.00 0.00 N ATOM 1053 CA LEU B 12 1.670 -7.505 5.162 1.00 0.00 C ATOM 1054 C LEU B 12 2.434 -6.306 5.716 1.00 0.00 C ATOM 1055 O LEU B 12 1.962 -5.620 6.623 1.00 0.00 O ATOM 1056 CB LEU B 12 0.598 -7.062 4.165 1.00 0.00 C ATOM 1057 CG LEU B 12 1.089 -6.210 3.003 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.292 -6.867 2.357 1.00 0.00 C ATOM 1059 CD2 LEU B 12 -0.022 -6.004 1.986 1.00 0.00 C ATOM 0 H LEU B 12 0.619 -7.697 6.961 1.00 0.00 H new ATOM 0 HA LEU B 12 2.392 -8.139 4.647 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.114 -7.951 3.761 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.165 -6.502 4.705 1.00 0.00 H new ATOM 0 HG LEU B 12 1.385 -5.232 3.382 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.639 -6.253 1.526 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.090 -6.968 3.092 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.013 -7.854 1.987 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.347 -5.393 1.163 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.348 -6.971 1.602 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.863 -5.501 2.463 1.00 0.00 H new ATOM 1071 N LYS B 13 3.617 -6.065 5.160 1.00 0.00 N ATOM 1072 CA LYS B 13 4.462 -4.952 5.588 1.00 0.00 C ATOM 1073 C LYS B 13 5.139 -4.314 4.382 1.00 0.00 C ATOM 1074 O LYS B 13 5.573 -5.011 3.469 1.00 0.00 O ATOM 1075 CB LYS B 13 5.520 -5.440 6.578 1.00 0.00 C ATOM 1076 CG LYS B 13 4.943 -6.070 7.835 1.00 0.00 C ATOM 1077 CD LYS B 13 4.153 -5.063 8.654 1.00 0.00 C ATOM 1078 CE LYS B 13 3.582 -5.700 9.910 1.00 0.00 C ATOM 1079 NZ LYS B 13 4.653 -6.221 10.804 1.00 0.00 N ATOM 0 H LYS B 13 4.015 -6.628 4.408 1.00 0.00 H new ATOM 0 HA LYS B 13 3.835 -4.208 6.079 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.161 -6.167 6.080 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.153 -4.599 6.862 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.297 -6.904 7.561 1.00 0.00 H new ATOM 0 HG3 LYS B 13 5.751 -6.479 8.441 1.00 0.00 H new ATOM 0 HD2 LYS B 13 4.798 -4.228 8.928 1.00 0.00 H new ATOM 0 HD3 LYS B 13 3.343 -4.655 8.050 1.00 0.00 H new ATOM 0 HE2 LYS B 13 2.984 -4.966 10.450 1.00 0.00 H new ATOM 0 HE3 LYS B 13 2.913 -6.514 9.632 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 4.252 -6.429 11.741 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 5.052 -7.091 10.397 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.404 -5.507 10.899 1.00 0.00 H new ATOM 1093 N GLY B 14 5.231 -2.988 4.379 1.00 0.00 N ATOM 1094 CA GLY B 14 5.861 -2.307 3.264 1.00 0.00 C ATOM 1095 C GLY B 14 6.013 -0.816 3.477 1.00 0.00 C ATOM 1096 O GLY B 14 5.672 -0.289 4.536 1.00 0.00 O ATOM 0 H GLY B 14 4.885 -2.379 5.120 1.00 0.00 H new ATOM 0 HA2 GLY B 14 6.845 -2.744 3.090 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.272 -2.479 2.363 1.00 0.00 H new ATOM 1100 N GLU B 15 6.524 -0.137 2.454 1.00 0.00 N ATOM 1101 CA GLU B 15 6.722 1.305 2.505 1.00 0.00 C ATOM 1102 C GLU B 15 6.422 1.931 1.149 1.00 0.00 C ATOM 1103 O GLU B 15 6.750 1.368 0.106 1.00 0.00 O ATOM 1104 CB GLU B 15 8.156 1.646 2.929 1.00 0.00 C ATOM 1105 CG GLU B 15 8.535 1.134 4.312 1.00 0.00 C ATOM 1106 CD GLU B 15 8.794 -0.361 4.342 1.00 0.00 C ATOM 1107 OE1 GLU B 15 8.764 -0.994 3.266 1.00 0.00 O ATOM 1108 OE2 GLU B 15 9.036 -0.898 5.443 1.00 0.00 O ATOM 0 H GLU B 15 6.810 -0.568 1.575 1.00 0.00 H new ATOM 0 HA GLU B 15 6.034 1.713 3.246 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.848 1.230 2.197 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.282 2.728 2.907 1.00 0.00 H new ATOM 0 HG2 GLU B 15 9.427 1.658 4.655 1.00 0.00 H new ATOM 0 HG3 GLU B 15 7.735 1.372 5.013 1.00 0.00 H new ATOM 1115 N THR B 16 5.794 3.098 1.176 1.00 0.00 N ATOM 1116 CA THR B 16 5.439 3.810 -0.045 1.00 0.00 C ATOM 1117 C THR B 16 5.716 5.307 0.095 1.00 0.00 C ATOM 1118 O THR B 16 5.996 5.790 1.190 1.00 0.00 O ATOM 1119 CB THR B 16 3.969 3.553 -0.395 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.485 4.552 -1.257 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.055 3.497 0.809 1.00 0.00 C ATOM 0 H THR B 16 5.518 3.574 2.035 1.00 0.00 H new ATOM 0 HA THR B 16 6.059 3.435 -0.859 1.00 0.00 H new ATOM 0 HB THR B 16 3.957 2.574 -0.873 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.686 4.225 -1.720 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.032 3.312 0.481 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.375 2.693 1.471 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.099 4.446 1.343 1.00 0.00 H new ATOM 1129 N THR B 17 5.659 6.035 -1.022 1.00 0.00 N ATOM 1130 CA THR B 17 5.930 7.473 -1.004 1.00 0.00 C ATOM 1131 C THR B 17 5.045 8.252 -1.981 1.00 0.00 C ATOM 1132 O THR B 17 5.069 8.012 -3.188 1.00 0.00 O ATOM 1133 CB THR B 17 7.397 7.730 -1.338 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.716 7.233 -2.626 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.351 7.096 -0.351 1.00 0.00 C ATOM 0 H THR B 17 5.430 5.657 -1.941 1.00 0.00 H new ATOM 0 HA THR B 17 5.701 7.826 0.001 1.00 0.00 H new ATOM 0 HB THR B 17 7.518 8.812 -1.295 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.922 7.274 -3.198 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.377 7.316 -0.645 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.165 7.498 0.645 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.200 6.017 -0.341 1.00 0.00 H new ATOM 1143 N THR B 18 4.281 9.199 -1.441 1.00 0.00 N ATOM 1144 CA THR B 18 3.397 10.043 -2.246 1.00 0.00 C ATOM 1145 C THR B 18 3.981 11.449 -2.369 1.00 0.00 C ATOM 1146 O THR B 18 4.533 11.988 -1.409 1.00 0.00 O ATOM 1147 CB THR B 18 2.008 10.119 -1.608 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.121 10.857 -2.429 1.00 0.00 O ATOM 1149 CG2 THR B 18 2.009 10.766 -0.240 1.00 0.00 C ATOM 0 H THR B 18 4.256 9.403 -0.442 1.00 0.00 H new ATOM 0 HA THR B 18 3.309 9.602 -3.239 1.00 0.00 H new ATOM 0 HB THR B 18 1.683 9.084 -1.501 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.378 10.749 -3.368 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.993 10.787 0.153 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.647 10.193 0.433 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.388 11.785 -0.320 1.00 0.00 H new ATOM 1157 N GLU B 19 3.849 12.043 -3.547 1.00 0.00 N ATOM 1158 CA GLU B 19 4.356 13.390 -3.787 1.00 0.00 C ATOM 1159 C GLU B 19 3.215 14.396 -3.713 1.00 0.00 C ATOM 1160 O GLU B 19 2.324 14.393 -4.564 1.00 0.00 O ATOM 1161 CB GLU B 19 5.035 13.463 -5.157 1.00 0.00 C ATOM 1162 CG GLU B 19 5.575 14.842 -5.502 1.00 0.00 C ATOM 1163 CD GLU B 19 6.643 15.313 -4.534 1.00 0.00 C ATOM 1164 OE1 GLU B 19 7.661 14.606 -4.383 1.00 0.00 O ATOM 1165 OE2 GLU B 19 6.463 16.392 -3.932 1.00 0.00 O ATOM 0 H GLU B 19 3.395 11.614 -4.353 1.00 0.00 H new ATOM 0 HA GLU B 19 5.091 13.632 -3.019 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.855 12.745 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.321 13.161 -5.923 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.988 14.824 -6.511 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.753 15.558 -5.507 1.00 0.00 H new ATOM 1172 N ALA B 20 3.224 15.248 -2.688 1.00 0.00 N ATOM 1173 CA ALA B 20 2.163 16.233 -2.524 1.00 0.00 C ATOM 1174 C ALA B 20 2.671 17.525 -1.886 1.00 0.00 C ATOM 1175 O ALA B 20 3.644 17.526 -1.132 1.00 0.00 O ATOM 1176 CB ALA B 20 1.036 15.638 -1.696 1.00 0.00 C ATOM 0 H ALA B 20 3.946 15.274 -1.968 1.00 0.00 H new ATOM 0 HA ALA B 20 1.791 16.492 -3.515 1.00 0.00 H new ATOM 0 HB1 ALA B 20 0.244 16.377 -1.575 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.638 14.759 -2.202 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.417 15.351 -0.716 1.00 0.00 H new ATOM 1182 N VAL B 21 2.005 18.624 -2.225 1.00 0.00 N ATOM 1183 CA VAL B 21 2.371 19.952 -1.730 1.00 0.00 C ATOM 1184 C VAL B 21 2.517 19.976 -0.208 1.00 0.00 C ATOM 1185 O VAL B 21 3.394 20.656 0.327 1.00 0.00 O ATOM 1186 CB VAL B 21 1.319 21.001 -2.136 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.803 22.403 -1.803 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.981 20.873 -3.613 1.00 0.00 C ATOM 0 H VAL B 21 1.198 18.622 -2.849 1.00 0.00 H new ATOM 0 HA VAL B 21 3.333 20.194 -2.182 1.00 0.00 H new ATOM 0 HB VAL B 21 0.409 20.818 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL B 21 1.045 23.129 -2.098 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.983 22.481 -0.731 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.729 22.606 -2.341 1.00 0.00 H new ATOM 0 HG21 VAL B 21 0.236 21.622 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.882 21.027 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.582 19.878 -3.810 1.00 0.00 H new ATOM 1198 N ASP B 22 1.663 19.232 0.482 1.00 0.00 N ATOM 1199 CA ASP B 22 1.717 19.177 1.941 1.00 0.00 C ATOM 1200 C ASP B 22 1.369 17.785 2.455 1.00 0.00 C ATOM 1201 O ASP B 22 0.944 16.917 1.691 1.00 0.00 O ATOM 1202 CB ASP B 22 0.784 20.225 2.555 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.677 19.957 2.261 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.199 18.934 2.746 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.298 20.769 1.544 1.00 0.00 O ATOM 0 H ASP B 22 0.929 18.662 0.061 1.00 0.00 H new ATOM 0 HA ASP B 22 2.739 19.401 2.246 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.934 20.250 3.634 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.051 21.210 2.174 1.00 0.00 H new ATOM 1210 N ALA B 23 1.566 17.574 3.752 1.00 0.00 N ATOM 1211 CA ALA B 23 1.288 16.282 4.368 1.00 0.00 C ATOM 1212 C ALA B 23 -0.157 15.860 4.158 1.00 0.00 C ATOM 1213 O ALA B 23 -0.436 14.700 3.856 1.00 0.00 O ATOM 1214 CB ALA B 23 1.623 16.323 5.851 1.00 0.00 C ATOM 0 H ALA B 23 1.917 18.282 4.397 1.00 0.00 H new ATOM 0 HA ALA B 23 1.920 15.538 3.883 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.411 15.352 6.299 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.680 16.559 5.979 1.00 0.00 H new ATOM 0 HB3 ALA B 23 1.019 17.088 6.339 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.077 16.803 4.309 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.490 16.509 4.120 1.00 0.00 C ATOM 1222 C ALA B 24 -2.745 16.082 2.685 1.00 0.00 C ATOM 1223 O ALA B 24 -3.283 15.002 2.437 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.342 17.716 4.484 1.00 0.00 C ATOM 0 H ALA B 24 -0.872 17.770 4.560 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.769 15.689 4.781 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.395 17.476 4.336 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.173 17.979 5.528 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.069 18.559 3.849 1.00 0.00 H new ATOM 1230 N THR B 25 -2.329 16.916 1.735 1.00 0.00 N ATOM 1231 CA THR B 25 -2.491 16.597 0.330 1.00 0.00 C ATOM 1232 C THR B 25 -1.914 15.219 0.061 1.00 0.00 C ATOM 1233 O THR B 25 -2.544 14.380 -0.583 1.00 0.00 O ATOM 1234 CB THR B 25 -1.790 17.649 -0.531 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.414 17.720 -0.221 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.371 19.038 -0.374 1.00 0.00 C ATOM 0 H THR B 25 -1.879 17.813 1.917 1.00 0.00 H new ATOM 0 HA THR B 25 -3.551 16.597 0.075 1.00 0.00 H new ATOM 0 HB THR B 25 -1.944 17.324 -1.560 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.284 17.536 0.733 1.00 0.00 H new ATOM 0 HG21 THR B 25 -1.827 19.734 -1.012 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.422 19.027 -0.662 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.283 19.354 0.665 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.721 14.979 0.598 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.074 13.687 0.454 1.00 0.00 C ATOM 1246 C ALA B 26 -0.960 12.612 1.068 1.00 0.00 C ATOM 1247 O ALA B 26 -1.276 11.610 0.427 1.00 0.00 O ATOM 1248 CB ALA B 26 1.299 13.698 1.111 1.00 0.00 C ATOM 0 H ALA B 26 -0.187 15.663 1.135 1.00 0.00 H new ATOM 0 HA ALA B 26 0.068 13.471 -0.605 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.767 12.721 0.992 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.922 14.458 0.640 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.193 13.923 2.172 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.372 12.836 2.317 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.236 11.899 3.017 1.00 0.00 C ATOM 1256 C GLU B 27 -3.479 11.586 2.192 1.00 0.00 C ATOM 1257 O GLU B 27 -3.833 10.422 2.009 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.646 12.473 4.376 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.544 11.547 5.180 1.00 0.00 C ATOM 1260 CD GLU B 27 -3.935 12.136 6.521 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -4.563 13.216 6.536 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -3.616 11.516 7.557 1.00 0.00 O ATOM 0 H GLU B 27 -1.118 13.661 2.861 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.680 10.974 3.170 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.749 12.689 4.956 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.161 13.421 4.221 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.445 11.331 4.605 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.032 10.598 5.339 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.133 12.632 1.688 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.333 12.465 0.876 1.00 0.00 C ATOM 1271 C LYS B 28 -5.048 11.591 -0.338 1.00 0.00 C ATOM 1272 O LYS B 28 -5.865 10.753 -0.719 1.00 0.00 O ATOM 1273 CB LYS B 28 -5.865 13.826 0.425 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.314 14.713 1.573 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.401 14.043 2.395 1.00 0.00 C ATOM 1276 CE LYS B 28 -7.857 14.929 3.543 1.00 0.00 C ATOM 1277 NZ LYS B 28 -8.394 16.232 3.060 1.00 0.00 N ATOM 0 H LYS B 28 -3.851 13.602 1.829 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.089 11.973 1.488 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.088 14.342 -0.139 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.704 13.672 -0.254 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.462 14.944 2.212 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.684 15.660 1.180 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.251 13.809 1.754 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.030 13.097 2.789 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.624 14.411 4.119 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.020 15.109 4.217 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -8.906 16.704 3.832 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.608 16.836 2.745 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.043 16.066 2.265 1.00 0.00 H new ATOM 1291 N VAL B 29 -3.879 11.787 -0.935 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.479 11.012 -2.100 1.00 0.00 C ATOM 1293 C VAL B 29 -3.504 9.525 -1.790 1.00 0.00 C ATOM 1294 O VAL B 29 -3.928 8.714 -2.615 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.071 11.413 -2.582 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.611 10.519 -3.722 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.051 12.876 -3.002 1.00 0.00 C ATOM 0 H VAL B 29 -3.192 12.477 -0.631 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.194 11.226 -2.895 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.376 11.282 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.615 10.823 -4.044 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.583 9.483 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.305 10.609 -4.558 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.050 13.144 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -2.762 13.031 -3.814 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.327 13.502 -2.153 1.00 0.00 H new ATOM 1307 N VAL B 30 -3.060 9.172 -0.594 1.00 0.00 N ATOM 1308 CA VAL B 30 -3.047 7.782 -0.176 1.00 0.00 C ATOM 1309 C VAL B 30 -4.481 7.256 -0.112 1.00 0.00 C ATOM 1310 O VAL B 30 -4.783 6.187 -0.639 1.00 0.00 O ATOM 1311 CB VAL B 30 -2.371 7.611 1.193 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -2.093 6.143 1.471 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -1.087 8.425 1.265 1.00 0.00 C ATOM 0 H VAL B 30 -2.705 9.828 0.102 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.473 7.213 -0.907 1.00 0.00 H new ATOM 0 HB VAL B 30 -3.051 7.982 1.960 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.614 6.041 2.445 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -3.031 5.588 1.468 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.434 5.745 0.699 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.625 8.289 2.243 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.399 8.089 0.489 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.316 9.480 1.115 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.374 8.029 0.520 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.783 7.643 0.618 1.00 0.00 C ATOM 1325 C LYS B 31 -7.311 7.200 -0.738 1.00 0.00 C ATOM 1326 O LYS B 31 -7.957 6.158 -0.856 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.638 8.799 1.154 1.00 0.00 C ATOM 1328 CG LYS B 31 -7.589 8.960 2.666 1.00 0.00 C ATOM 1329 CD LYS B 31 -6.170 9.133 3.173 1.00 0.00 C ATOM 1330 CE LYS B 31 -6.132 9.224 4.690 1.00 0.00 C ATOM 1331 NZ LYS B 31 -6.857 8.094 5.333 1.00 0.00 N ATOM 0 H LYS B 31 -5.146 8.917 0.967 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.850 6.810 1.317 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.306 9.728 0.690 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.673 8.643 0.850 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -8.186 9.824 2.958 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -8.039 8.087 3.138 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.558 8.294 2.842 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.735 10.034 2.742 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -5.096 9.229 5.027 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -6.575 10.168 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -6.779 8.175 6.367 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -7.860 8.124 5.058 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -6.440 7.193 5.024 1.00 0.00 H new ATOM 1345 N GLN B 32 -7.010 7.986 -1.764 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.436 7.655 -3.114 1.00 0.00 C ATOM 1347 C GLN B 32 -6.664 6.432 -3.591 1.00 0.00 C ATOM 1348 O GLN B 32 -7.202 5.557 -4.268 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.198 8.836 -4.057 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.750 8.620 -5.459 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.270 8.510 -5.512 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.948 8.769 -4.395 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -9.834 8.209 -6.564 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.476 8.851 -1.686 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.504 7.435 -3.113 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.655 9.729 -3.630 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.127 9.027 -4.123 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.432 9.446 -6.096 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.315 7.711 -5.875 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.284 8.017 -7.401 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.852 8.152 -6.599 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.390 6.390 -3.216 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.501 5.291 -3.573 1.00 0.00 C ATOM 1364 C PHE B 33 -5.087 3.948 -3.127 1.00 0.00 C ATOM 1365 O PHE B 33 -5.237 3.029 -3.929 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.131 5.524 -2.921 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.061 4.573 -3.363 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.412 4.769 -4.569 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.694 3.487 -2.574 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.421 3.906 -4.986 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.701 2.622 -2.990 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.065 2.832 -4.197 1.00 0.00 C ATOM 0 H PHE B 33 -4.945 7.117 -2.656 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.388 5.259 -4.657 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.807 6.542 -3.140 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.241 5.450 -1.839 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -1.685 5.608 -5.191 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -2.190 3.319 -1.629 1.00 0.00 H new ATOM 0 HE1 PHE B 33 0.077 4.071 -5.930 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.422 1.782 -2.371 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.711 2.156 -4.523 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.429 3.856 -1.846 1.00 0.00 N ATOM 1383 CA PHE B 34 -6.007 2.631 -1.289 1.00 0.00 C ATOM 1384 C PHE B 34 -7.469 2.483 -1.676 1.00 0.00 C ATOM 1385 O PHE B 34 -7.924 1.389 -2.006 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.825 2.598 0.224 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.379 2.531 0.607 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.517 1.695 -0.085 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.873 3.313 1.632 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.180 1.640 0.235 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.533 3.256 1.960 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.689 2.419 1.258 1.00 0.00 C ATOM 0 H PHE B 34 -5.317 4.613 -1.172 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.475 1.779 -1.713 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.277 3.487 0.664 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.351 1.736 0.635 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.900 1.079 -0.885 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.531 3.972 2.179 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.518 0.988 -0.315 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -2.146 3.865 2.764 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.640 2.375 1.512 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.196 3.589 -1.661 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.603 3.575 -2.039 1.00 0.00 C ATOM 1404 C ASN B 35 -9.778 2.865 -3.378 1.00 0.00 C ATOM 1405 O ASN B 35 -10.752 2.145 -3.601 1.00 0.00 O ATOM 1406 CB ASN B 35 -10.127 5.008 -2.144 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.552 5.071 -2.652 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.858 4.599 -3.746 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -12.429 5.662 -1.859 1.00 0.00 N ATOM 0 H ASN B 35 -7.838 4.506 -1.392 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.168 3.040 -1.276 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -10.073 5.483 -1.165 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.482 5.579 -2.812 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -13.405 5.741 -2.146 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -12.130 6.039 -0.960 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.817 3.091 -4.266 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.837 2.497 -5.599 1.00 0.00 C ATOM 1418 C ASP B 36 -8.044 1.193 -5.670 1.00 0.00 C ATOM 1419 O ASP B 36 -8.328 0.346 -6.517 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.308 3.491 -6.633 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.132 4.763 -6.693 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.111 4.874 -5.924 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.798 5.650 -7.506 1.00 0.00 O ATOM 0 H ASP B 36 -8.008 3.686 -4.086 1.00 0.00 H new ATOM 0 HA ASP B 36 -9.876 2.256 -5.824 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.275 3.743 -6.394 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.302 3.019 -7.616 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.073 1.006 -4.777 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.302 -0.235 -4.777 1.00 0.00 C ATOM 1430 C ASN B 37 -7.126 -1.338 -4.135 1.00 0.00 C ATOM 1431 O ASN B 37 -7.225 -2.442 -4.665 1.00 0.00 O ATOM 1432 CB ASN B 37 -4.973 -0.082 -4.022 1.00 0.00 C ATOM 1433 CG ASN B 37 -3.971 0.784 -4.757 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -3.828 0.689 -5.977 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.240 1.608 -4.013 1.00 0.00 N ATOM 0 H ASN B 37 -6.806 1.681 -4.060 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.070 -0.487 -5.812 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.167 0.350 -3.040 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.540 -1.068 -3.856 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.528 2.193 -4.450 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.391 1.655 -3.005 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.721 -0.995 -2.992 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.565 -1.901 -2.227 1.00 0.00 C ATOM 1444 C GLY B 38 -8.817 -3.257 -2.863 1.00 0.00 C ATOM 1445 O GLY B 38 -7.889 -4.031 -3.101 1.00 0.00 O ATOM 0 H GLY B 38 -7.627 -0.071 -2.571 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.108 -2.057 -1.250 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.526 -1.416 -2.055 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.092 -3.567 -3.061 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.494 -4.866 -3.594 1.00 0.00 C ATOM 1451 C VAL B 39 -11.095 -4.803 -4.998 1.00 0.00 C ATOM 1452 O VAL B 39 -11.557 -5.820 -5.514 1.00 0.00 O ATOM 1453 CB VAL B 39 -11.536 -5.502 -2.667 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -11.875 -6.920 -3.111 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -11.053 -5.485 -1.225 1.00 0.00 C ATOM 0 H VAL B 39 -10.868 -2.936 -2.861 1.00 0.00 H new ATOM 0 HA VAL B 39 -9.580 -5.457 -3.653 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.448 -4.908 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -12.616 -7.346 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.278 -6.898 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -10.973 -7.532 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -11.807 -5.941 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -10.122 -6.047 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -10.883 -4.455 -0.910 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.104 -3.636 -5.624 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.676 -3.519 -6.965 1.00 0.00 C ATOM 1467 C ASP B 40 -10.679 -2.931 -7.966 1.00 0.00 C ATOM 1468 O ASP B 40 -11.062 -2.534 -9.067 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.936 -2.653 -6.926 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.007 -3.232 -6.021 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -13.739 -3.392 -4.812 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -15.113 -3.521 -6.522 1.00 0.00 O ATOM 0 H ASP B 40 -10.730 -2.769 -5.238 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.929 -4.526 -7.298 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.675 -1.652 -6.582 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.334 -2.549 -7.935 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.406 -2.872 -7.586 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.396 -2.322 -8.475 1.00 0.00 C ATOM 1479 C GLY B 41 -7.898 -3.326 -9.501 1.00 0.00 C ATOM 1480 O GLY B 41 -8.286 -4.494 -9.476 1.00 0.00 O ATOM 0 H GLY B 41 -9.056 -3.193 -6.683 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.808 -1.456 -8.993 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.553 -1.967 -7.883 1.00 0.00 H new ATOM 1484 N GLU B 42 -7.027 -2.866 -10.396 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.456 -3.726 -11.432 1.00 0.00 C ATOM 1486 C GLU B 42 -5.091 -4.239 -10.991 1.00 0.00 C ATOM 1487 O GLU B 42 -4.106 -3.501 -11.010 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.329 -2.961 -12.750 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.656 -2.447 -13.286 1.00 0.00 C ATOM 1490 CD GLU B 42 -7.504 -1.696 -14.593 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -6.782 -0.677 -14.612 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -8.107 -2.126 -15.600 1.00 0.00 O ATOM 0 H GLU B 42 -6.700 -1.900 -10.425 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.121 -4.576 -11.586 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.653 -2.118 -12.607 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.873 -3.612 -13.496 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -8.335 -3.287 -13.431 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -8.113 -1.791 -12.545 1.00 0.00 H new ATOM 1499 N TRP B 43 -5.043 -5.495 -10.560 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.805 -6.090 -10.076 1.00 0.00 C ATOM 1501 C TRP B 43 -3.129 -6.975 -11.119 1.00 0.00 C ATOM 1502 O TRP B 43 -3.696 -7.973 -11.563 1.00 0.00 O ATOM 1503 CB TRP B 43 -4.083 -6.927 -8.833 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.692 -6.161 -7.701 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.619 -5.158 -7.777 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.418 -6.350 -6.314 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.932 -4.714 -6.513 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.208 -5.432 -5.600 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.580 -7.212 -5.606 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.184 -5.351 -4.212 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.554 -7.133 -4.231 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.353 -6.206 -3.545 1.00 0.00 C ATOM 0 H TRP B 43 -5.849 -6.120 -10.536 1.00 0.00 H new ATOM 0 HA TRP B 43 -3.130 -5.265 -9.847 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.749 -7.747 -9.102 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -3.149 -7.374 -8.493 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -6.042 -4.772 -8.693 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.595 -3.971 -6.292 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -2.962 -7.929 -6.127 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.799 -4.639 -3.681 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.909 -7.795 -3.672 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.310 -6.167 -2.467 1.00 0.00 H new ATOM 1523 N THR B 44 -1.898 -6.621 -11.475 1.00 0.00 N ATOM 1524 CA THR B 44 -1.122 -7.401 -12.431 1.00 0.00 C ATOM 1525 C THR B 44 -0.015 -8.148 -11.692 1.00 0.00 C ATOM 1526 O THR B 44 0.645 -7.581 -10.821 1.00 0.00 O ATOM 1527 CB THR B 44 -0.526 -6.496 -13.510 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.296 -5.499 -12.931 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.574 -5.797 -14.349 1.00 0.00 C ATOM 0 H THR B 44 -1.416 -5.797 -11.115 1.00 0.00 H new ATOM 0 HA THR B 44 -1.779 -8.120 -12.921 1.00 0.00 H new ATOM 0 HB THR B 44 0.052 -7.157 -14.155 1.00 0.00 H new ATOM 0 HG1 THR B 44 0.679 -5.836 -12.094 1.00 0.00 H new ATOM 0 HG21 THR B 44 -1.085 -5.171 -15.095 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.194 -6.540 -14.850 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.199 -5.176 -13.707 1.00 0.00 H new ATOM 1537 N TYR B 45 0.175 -9.421 -12.021 1.00 0.00 N ATOM 1538 CA TYR B 45 1.194 -10.231 -11.358 1.00 0.00 C ATOM 1539 C TYR B 45 2.339 -10.574 -12.308 1.00 0.00 C ATOM 1540 O TYR B 45 2.127 -10.798 -13.500 1.00 0.00 O ATOM 1541 CB TYR B 45 0.568 -11.514 -10.805 1.00 0.00 C ATOM 1542 CG TYR B 45 1.506 -12.340 -9.952 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.432 -11.733 -9.113 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.464 -13.728 -9.985 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.288 -12.484 -8.330 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.318 -14.487 -9.206 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.227 -13.860 -8.381 1.00 0.00 C ATOM 1548 OH TYR B 45 4.078 -14.611 -7.603 1.00 0.00 O ATOM 0 H TYR B 45 -0.359 -9.913 -12.738 1.00 0.00 H new ATOM 0 HA TYR B 45 1.604 -9.646 -10.535 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.309 -11.252 -10.213 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.219 -12.124 -11.638 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.484 -10.655 -9.072 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.753 -14.223 -10.630 1.00 0.00 H new ATOM 0 HE1 TYR B 45 4.001 -11.996 -7.682 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.273 -15.565 -9.244 1.00 0.00 H new ATOM 0 HH TYR B 45 3.906 -15.564 -7.755 1.00 0.00 H new ATOM 1558 N ASP B 46 3.554 -10.619 -11.767 1.00 0.00 N ATOM 1559 CA ASP B 46 4.736 -10.943 -12.555 1.00 0.00 C ATOM 1560 C ASP B 46 5.468 -12.145 -11.963 1.00 0.00 C ATOM 1561 O ASP B 46 6.425 -11.990 -11.206 1.00 0.00 O ATOM 1562 CB ASP B 46 5.677 -9.736 -12.620 1.00 0.00 C ATOM 1563 CG ASP B 46 6.920 -10.009 -13.447 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.049 -11.136 -13.973 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.763 -9.096 -13.569 1.00 0.00 O ATOM 0 H ASP B 46 3.744 -10.434 -10.782 1.00 0.00 H new ATOM 0 HA ASP B 46 4.414 -11.197 -13.565 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.143 -8.886 -13.044 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.972 -9.455 -11.609 1.00 0.00 H new ATOM 1570 N ASP B 47 5.006 -13.344 -12.309 1.00 0.00 N ATOM 1571 CA ASP B 47 5.611 -14.578 -11.810 1.00 0.00 C ATOM 1572 C ASP B 47 7.130 -14.549 -11.953 1.00 0.00 C ATOM 1573 O ASP B 47 7.855 -15.053 -11.093 1.00 0.00 O ATOM 1574 CB ASP B 47 5.047 -15.784 -12.563 1.00 0.00 C ATOM 1575 CG ASP B 47 3.545 -15.918 -12.405 1.00 0.00 C ATOM 1576 OD1 ASP B 47 3.082 -16.096 -11.260 1.00 0.00 O ATOM 1577 OD2 ASP B 47 2.832 -15.843 -13.428 1.00 0.00 O ATOM 0 H ASP B 47 4.213 -13.488 -12.934 1.00 0.00 H new ATOM 0 HA ASP B 47 5.368 -14.663 -10.751 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.291 -15.694 -13.622 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.529 -16.692 -12.201 1.00 0.00 H new ATOM 1582 N ALA B 48 7.603 -13.969 -13.050 1.00 0.00 N ATOM 1583 CA ALA B 48 9.035 -13.883 -13.318 1.00 0.00 C ATOM 1584 C ALA B 48 9.799 -13.263 -12.152 1.00 0.00 C ATOM 1585 O ALA B 48 10.938 -13.643 -11.878 1.00 0.00 O ATOM 1586 CB ALA B 48 9.280 -13.085 -14.590 1.00 0.00 C ATOM 0 H ALA B 48 7.015 -13.550 -13.770 1.00 0.00 H new ATOM 0 HA ALA B 48 9.407 -14.899 -13.448 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.351 -13.026 -14.782 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.788 -13.577 -15.429 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.877 -12.079 -14.472 1.00 0.00 H new ATOM 1592 N THR B 49 9.178 -12.305 -11.475 1.00 0.00 N ATOM 1593 CA THR B 49 9.820 -11.634 -10.346 1.00 0.00 C ATOM 1594 C THR B 49 9.086 -11.893 -9.032 1.00 0.00 C ATOM 1595 O THR B 49 9.376 -11.255 -8.021 1.00 0.00 O ATOM 1596 CB THR B 49 9.897 -10.129 -10.606 1.00 0.00 C ATOM 1597 OG1 THR B 49 8.603 -9.581 -10.782 1.00 0.00 O ATOM 1598 CG2 THR B 49 10.717 -9.774 -11.827 1.00 0.00 C ATOM 0 H THR B 49 8.236 -11.975 -11.685 1.00 0.00 H new ATOM 0 HA THR B 49 10.825 -12.045 -10.251 1.00 0.00 H new ATOM 0 HB THR B 49 10.385 -9.710 -9.726 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.675 -8.617 -10.946 1.00 0.00 H new ATOM 0 HG21 THR B 49 10.731 -8.691 -11.954 1.00 0.00 H new ATOM 0 HG22 THR B 49 11.737 -10.137 -11.699 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.275 -10.237 -12.709 1.00 0.00 H new ATOM 1606 N LYS B 50 8.139 -12.831 -9.042 1.00 0.00 N ATOM 1607 CA LYS B 50 7.387 -13.151 -7.828 1.00 0.00 C ATOM 1608 C LYS B 50 6.862 -11.881 -7.164 1.00 0.00 C ATOM 1609 O LYS B 50 6.808 -11.788 -5.939 1.00 0.00 O ATOM 1610 CB LYS B 50 8.287 -13.906 -6.845 1.00 0.00 C ATOM 1611 CG LYS B 50 8.587 -15.338 -7.261 1.00 0.00 C ATOM 1612 CD LYS B 50 7.450 -16.282 -6.899 1.00 0.00 C ATOM 1613 CE LYS B 50 7.544 -16.752 -5.455 1.00 0.00 C ATOM 1614 NZ LYS B 50 7.445 -15.628 -4.484 1.00 0.00 N ATOM 0 H LYS B 50 7.877 -13.376 -9.864 1.00 0.00 H new ATOM 0 HA LYS B 50 6.538 -13.776 -8.105 1.00 0.00 H new ATOM 0 HB2 LYS B 50 9.227 -13.364 -6.738 1.00 0.00 H new ATOM 0 HB3 LYS B 50 7.811 -13.915 -5.865 1.00 0.00 H new ATOM 0 HG2 LYS B 50 8.762 -15.375 -8.336 1.00 0.00 H new ATOM 0 HG3 LYS B 50 9.505 -15.672 -6.777 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.496 -15.779 -7.056 1.00 0.00 H new ATOM 0 HD3 LYS B 50 7.469 -17.145 -7.564 1.00 0.00 H new ATOM 0 HE2 LYS B 50 6.748 -17.470 -5.257 1.00 0.00 H new ATOM 0 HE3 LYS B 50 8.489 -17.274 -5.307 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 7.395 -16.008 -3.517 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 8.282 -15.017 -4.573 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 6.589 -15.072 -4.682 1.00 0.00 H new ATOM 1628 N THR B 51 6.494 -10.896 -7.980 1.00 0.00 N ATOM 1629 CA THR B 51 5.998 -9.629 -7.460 1.00 0.00 C ATOM 1630 C THR B 51 4.652 -9.251 -8.070 1.00 0.00 C ATOM 1631 O THR B 51 4.384 -9.528 -9.239 1.00 0.00 O ATOM 1632 CB THR B 51 7.013 -8.519 -7.731 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.273 -8.843 -7.171 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.596 -7.177 -7.171 1.00 0.00 C ATOM 0 H THR B 51 6.530 -10.952 -8.998 1.00 0.00 H new ATOM 0 HA THR B 51 5.857 -9.749 -6.386 1.00 0.00 H new ATOM 0 HB THR B 51 7.071 -8.441 -8.817 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.614 -9.663 -7.585 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.361 -6.434 -7.398 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.650 -6.873 -7.620 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.476 -7.255 -6.090 1.00 0.00 H new ATOM 1642 N PHE B 52 3.815 -8.601 -7.264 1.00 0.00 N ATOM 1643 CA PHE B 52 2.498 -8.157 -7.709 1.00 0.00 C ATOM 1644 C PHE B 52 2.475 -6.637 -7.825 1.00 0.00 C ATOM 1645 O PHE B 52 3.046 -5.944 -6.989 1.00 0.00 O ATOM 1646 CB PHE B 52 1.418 -8.601 -6.719 1.00 0.00 C ATOM 1647 CG PHE B 52 1.422 -10.072 -6.412 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.508 -10.662 -5.786 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.331 -10.863 -6.738 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.507 -12.012 -5.492 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.324 -12.213 -6.445 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.415 -12.789 -5.822 1.00 0.00 C ATOM 0 H PHE B 52 4.028 -8.370 -6.294 1.00 0.00 H new ATOM 0 HA PHE B 52 2.296 -8.605 -8.682 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.546 -8.048 -5.788 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.442 -8.329 -7.120 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.365 -10.060 -5.525 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.523 -10.419 -7.227 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.360 -12.459 -5.004 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.533 -12.818 -6.702 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.413 -13.845 -5.594 1.00 0.00 H new ATOM 1662 N THR B 53 1.809 -6.118 -8.848 1.00 0.00 N ATOM 1663 CA THR B 53 1.718 -4.673 -9.033 1.00 0.00 C ATOM 1664 C THR B 53 0.275 -4.189 -9.024 1.00 0.00 C ATOM 1665 O THR B 53 -0.572 -4.688 -9.765 1.00 0.00 O ATOM 1666 CB THR B 53 2.403 -4.233 -10.329 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.158 -5.155 -11.373 1.00 0.00 O ATOM 1668 CG2 THR B 53 3.900 -4.052 -10.190 1.00 0.00 C ATOM 0 H THR B 53 1.327 -6.669 -9.558 1.00 0.00 H new ATOM 0 HA THR B 53 2.236 -4.218 -8.189 1.00 0.00 H new ATOM 0 HB THR B 53 1.968 -3.262 -10.566 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.700 -4.700 -12.110 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.319 -3.740 -11.147 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.106 -3.291 -9.438 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.354 -4.995 -9.886 1.00 0.00 H new ATOM 1676 N VAL B 54 0.019 -3.189 -8.191 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.302 -2.591 -8.085 1.00 0.00 C ATOM 1678 C VAL B 54 -1.276 -1.209 -8.719 1.00 0.00 C ATOM 1679 O VAL B 54 -0.662 -0.284 -8.184 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.761 -2.476 -6.618 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -3.173 -1.914 -6.537 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.676 -3.827 -5.924 1.00 0.00 C ATOM 0 H VAL B 54 0.717 -2.773 -7.574 1.00 0.00 H new ATOM 0 HA VAL B 54 -2.010 -3.236 -8.606 1.00 0.00 H new ATOM 0 HB VAL B 54 -1.093 -1.785 -6.103 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.476 -1.842 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -3.197 -0.924 -6.991 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.858 -2.574 -7.069 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -2.004 -3.726 -4.889 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.317 -4.542 -6.440 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.646 -4.183 -5.945 1.00 0.00 H new ATOM 1692 N THR B 55 -1.921 -1.072 -9.869 1.00 0.00 N ATOM 1693 CA THR B 55 -1.935 0.202 -10.568 1.00 0.00 C ATOM 1694 C THR B 55 -3.234 0.959 -10.321 1.00 0.00 C ATOM 1695 O THR B 55 -4.305 0.544 -10.766 1.00 0.00 O ATOM 1696 CB THR B 55 -1.712 -0.004 -12.066 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.737 -1.007 -12.290 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.231 1.249 -12.762 1.00 0.00 C ATOM 0 H THR B 55 -2.436 -1.820 -10.333 1.00 0.00 H new ATOM 0 HA THR B 55 -1.118 0.805 -10.173 1.00 0.00 H new ATOM 0 HB THR B 55 -2.681 -0.292 -12.473 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.607 -1.128 -13.254 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.089 1.044 -13.823 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.971 2.040 -12.641 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.285 1.568 -12.325 1.00 0.00 H new ATOM 1706 N GLU B 56 -3.126 2.073 -9.606 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.281 2.901 -9.289 1.00 0.00 C ATOM 1708 C GLU B 56 -4.902 3.481 -10.557 1.00 0.00 C ATOM 1709 O GLU B 56 -4.150 4.052 -11.375 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.869 4.033 -8.343 1.00 0.00 C ATOM 1711 CG GLU B 56 -5.012 4.963 -7.968 1.00 0.00 C ATOM 1712 CD GLU B 56 -4.575 6.079 -7.038 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -3.379 6.120 -6.678 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -5.428 6.912 -6.669 1.00 0.00 O ATOM 1715 OXT GLU B 56 -6.133 3.358 -10.720 1.00 0.00 O ATOM 0 H GLU B 56 -2.244 2.424 -9.233 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.027 2.275 -8.799 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.451 3.601 -7.434 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.077 4.616 -8.812 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -5.436 5.395 -8.874 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -5.803 4.386 -7.490 1.00 0.00 H new