USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 44 THR OG1 : rot 59:sc= 1.76 USER MOD Set 1.2: B 53 THR OG1 : rot 102:sc= 1.84 USER MOD Set 2.1: A 50 LYS NZ :NH3+ -179:sc= -2.06 (180deg=-0.648) USER MOD Set 2.2: B 1 MET CE :methyl 150:sc= -4.97! (180deg=-2.71!) USER MOD Set 2.3: B 3 TYR OH : rot 180:sc= -3.17 USER MOD Set 3.1: A 44 THR OG1 : rot 56:sc= 1.7 USER MOD Set 3.2: A 53 THR OG1 : rot 101:sc= 1.93 USER MOD Set 4.1: A 1 MET CE :methyl 151:sc= -5.1! (180deg=-2.76!) USER MOD Set 4.2: A 3 TYR OH : rot 173:sc= -3.29 USER MOD Set 4.3: B 50 LYS NZ :NH3+ -179:sc= -2.04 (180deg=-0.591) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.16 (180deg=1.1) USER MOD Single : A 2 GLN :FLIP amide:sc= -2.96! F(o=-3.6,f=-3!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -1.32 F(o=-4.6!,f=-1.3) USER MOD Single : A 10 LYS NZ :NH3+ -167:sc= -0.0251 (180deg=-0.21) USER MOD Single : A 11 THR OG1 : rot -164:sc= -3.75! USER MOD Single : A 13 LYS NZ :NH3+ -135:sc= -2.53! (180deg=-5.55!) USER MOD Single : A 16 THR OG1 : rot 179:sc= -5.2! USER MOD Single : A 17 THR OG1 : rot 29:sc= 0.338 USER MOD Single : A 18 THR OG1 : rot 28:sc= -0.714 USER MOD Single : A 25 THR OG1 : rot -39:sc= -1.81! USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0498 (180deg=-0.267) USER MOD Single : A 31 LYS NZ :NH3+ -114:sc= -3.2 (180deg=-6.56!) USER MOD Single : A 32 GLN :FLIP amide:sc= -3.13! F(o=-4.3,f=-3.1!) USER MOD Single : A 35 ASN : amide:sc= -2.48 K(o=-2.5,f=-4!) USER MOD Single : A 37 ASN : amide:sc= -7.89! C(o=-7.9!,f=-8.4!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -11:sc= 0.0945 USER MOD Single : A 51 THR OG1 : rot 65:sc= 0.998 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ 144:sc= 1.3 (180deg=1.11) USER MOD Single : B 2 GLN :FLIP amide:sc= -3.09! F(o=-3.8,f=-3.1!) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 ASN :FLIP amide:sc= -1.32 F(o=-4.6!,f=-1.3) USER MOD Single : B 10 LYS NZ :NH3+ -167:sc= -0.0273 (180deg=-0.215) USER MOD Single : B 11 THR OG1 : rot -167:sc= -3.74! USER MOD Single : B 13 LYS NZ :NH3+ -135:sc= -2.54! (180deg=-5.56!) USER MOD Single : B 16 THR OG1 : rot 164:sc= -5.24! USER MOD Single : B 17 THR OG1 : rot 29:sc= 0.341 USER MOD Single : B 18 THR OG1 : rot 29:sc= -0.709 USER MOD Single : B 25 THR OG1 : rot -37:sc= -1.64! USER MOD Single : B 28 LYS NZ :NH3+ 166:sc= -0.0441 (180deg=-0.261) USER MOD Single : B 31 LYS NZ :NH3+ -113:sc= -3.14! (180deg=-6.52!) USER MOD Single : B 32 GLN :FLIP amide:sc= -3.17! F(o=-4.4,f=-3.2!) USER MOD Single : B 35 ASN : amide:sc= -2.47 K(o=-2.5,f=-4.2!) USER MOD Single : B 37 ASN : amide:sc= -7.86! C(o=-7.9!,f=-8.2!) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot -27:sc= 0.0985 USER MOD Single : B 51 THR OG1 : rot 65:sc= 0.998 USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.413 -18.730 1.869 1.00 0.00 N ATOM 2 CA MET A 1 6.532 -18.051 1.166 1.00 0.00 C ATOM 3 C MET A 1 6.381 -16.534 1.233 1.00 0.00 C ATOM 4 O MET A 1 5.317 -16.019 1.576 1.00 0.00 O ATOM 5 CB MET A 1 6.558 -18.537 -0.286 1.00 0.00 C ATOM 6 CG MET A 1 7.720 -17.988 -1.099 1.00 0.00 C ATOM 7 SD MET A 1 8.041 -18.953 -2.588 1.00 0.00 S ATOM 8 CE MET A 1 6.460 -18.833 -3.421 1.00 0.00 C ATOM 0 H1 MET A 1 5.512 -19.760 1.765 1.00 0.00 H new ATOM 0 H2 MET A 1 5.434 -18.480 2.878 1.00 0.00 H new ATOM 0 H3 MET A 1 4.508 -18.426 1.456 1.00 0.00 H new ATOM 0 HA MET A 1 7.475 -18.299 1.653 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.605 -19.626 -0.294 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.623 -18.255 -0.770 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.508 -16.956 -1.378 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.617 -17.973 -0.480 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.611 -18.898 -4.499 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.814 -19.648 -3.095 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.992 -17.879 -3.177 1.00 0.00 H new ATOM 20 N GLN A 2 7.457 -15.825 0.908 1.00 0.00 N ATOM 21 CA GLN A 2 7.462 -14.368 0.936 1.00 0.00 C ATOM 22 C GLN A 2 7.203 -13.788 -0.451 1.00 0.00 C ATOM 23 O GLN A 2 7.836 -14.187 -1.428 1.00 0.00 O ATOM 24 CB GLN A 2 8.809 -13.861 1.461 1.00 0.00 C ATOM 25 CG GLN A 2 8.882 -12.349 1.623 1.00 0.00 C ATOM 26 CD GLN A 2 8.003 -11.803 2.743 1.00 0.00 C ATOM 27 OE1 GLN A 2 7.353 -12.685 3.501 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 7.923 -10.592 2.937 1.00 0.00 N flip ATOM 0 H GLN A 2 8.343 -16.241 0.620 1.00 0.00 H new ATOM 0 HA GLN A 2 6.662 -14.041 1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.011 -14.329 2.424 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.597 -14.181 0.779 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.916 -12.064 1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.591 -11.879 0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.434 -9.945 2.337 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.345 -10.234 3.698 1.00 0.00 H new ATOM 37 N TYR A 3 6.276 -12.839 -0.527 1.00 0.00 N ATOM 38 CA TYR A 3 5.939 -12.195 -1.791 1.00 0.00 C ATOM 39 C TYR A 3 6.101 -10.685 -1.682 1.00 0.00 C ATOM 40 O TYR A 3 5.766 -10.089 -0.660 1.00 0.00 O ATOM 41 CB TYR A 3 4.505 -12.536 -2.203 1.00 0.00 C ATOM 42 CG TYR A 3 4.289 -14.005 -2.493 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.187 -14.929 -1.460 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.184 -14.465 -3.799 1.00 0.00 C ATOM 45 CE1 TYR A 3 3.988 -16.271 -1.723 1.00 0.00 C ATOM 46 CE2 TYR A 3 3.985 -15.806 -4.069 1.00 0.00 C ATOM 47 CZ TYR A 3 3.887 -16.703 -3.028 1.00 0.00 C ATOM 48 OH TYR A 3 3.689 -18.041 -3.292 1.00 0.00 O ATOM 0 H TYR A 3 5.744 -12.498 0.274 1.00 0.00 H new ATOM 0 HA TYR A 3 6.622 -12.568 -2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.825 -12.228 -1.409 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.244 -11.957 -3.089 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.264 -14.593 -0.436 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.259 -13.764 -4.617 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.912 -16.978 -0.910 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.907 -16.149 -5.090 1.00 0.00 H new ATOM 0 HH TYR A 3 3.527 -18.165 -4.251 1.00 0.00 H new ATOM 58 N LYS A 4 6.622 -10.069 -2.739 1.00 0.00 N ATOM 59 CA LYS A 4 6.828 -8.626 -2.747 1.00 0.00 C ATOM 60 C LYS A 4 5.786 -7.935 -3.618 1.00 0.00 C ATOM 61 O LYS A 4 5.784 -8.087 -4.838 1.00 0.00 O ATOM 62 CB LYS A 4 8.236 -8.291 -3.249 1.00 0.00 C ATOM 63 CG LYS A 4 8.527 -6.799 -3.292 1.00 0.00 C ATOM 64 CD LYS A 4 9.940 -6.519 -3.781 1.00 0.00 C ATOM 65 CE LYS A 4 10.982 -7.132 -2.860 1.00 0.00 C ATOM 66 NZ LYS A 4 12.368 -6.837 -3.314 1.00 0.00 N ATOM 0 H LYS A 4 6.907 -10.544 -3.596 1.00 0.00 H new ATOM 0 HA LYS A 4 6.721 -8.263 -1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.968 -8.777 -2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.365 -8.707 -4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.810 -6.306 -3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.394 -6.373 -2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.063 -6.918 -4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.097 -5.442 -3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.842 -6.750 -1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.837 -8.211 -2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.048 -7.273 -2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.510 -7.224 -4.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.516 -5.808 -3.332 1.00 0.00 H new ATOM 80 N VAL A 5 4.905 -7.168 -2.985 1.00 0.00 N ATOM 81 CA VAL A 5 3.867 -6.453 -3.710 1.00 0.00 C ATOM 82 C VAL A 5 4.289 -5.011 -3.960 1.00 0.00 C ATOM 83 O VAL A 5 4.826 -4.343 -3.078 1.00 0.00 O ATOM 84 CB VAL A 5 2.520 -6.483 -2.955 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.440 -5.751 -3.742 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.099 -7.918 -2.674 1.00 0.00 C ATOM 0 H VAL A 5 4.891 -7.027 -1.975 1.00 0.00 H new ATOM 0 HA VAL A 5 3.729 -6.959 -4.666 1.00 0.00 H new ATOM 0 HB VAL A 5 2.651 -5.969 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.501 -5.786 -3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.737 -4.712 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.309 -6.230 -4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.148 -7.921 -2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.989 -8.456 -3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.858 -8.407 -2.063 1.00 0.00 H new ATOM 96 N ILE A 6 4.050 -4.542 -5.175 1.00 0.00 N ATOM 97 CA ILE A 6 4.402 -3.186 -5.566 1.00 0.00 C ATOM 98 C ILE A 6 3.151 -2.336 -5.753 1.00 0.00 C ATOM 99 O ILE A 6 2.246 -2.701 -6.503 1.00 0.00 O ATOM 100 CB ILE A 6 5.229 -3.186 -6.869 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.564 -3.899 -6.649 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.458 -1.767 -7.365 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.415 -3.988 -7.896 1.00 0.00 C ATOM 0 H ILE A 6 3.608 -5.088 -5.915 1.00 0.00 H new ATOM 0 HA ILE A 6 5.006 -2.757 -4.766 1.00 0.00 H new ATOM 0 HB ILE A 6 4.667 -3.724 -7.632 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.123 -3.375 -5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.372 -4.906 -6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.043 -1.793 -8.284 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.497 -1.290 -7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.998 -1.199 -6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.346 -4.506 -7.665 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.875 -4.539 -8.666 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.638 -2.984 -8.257 1.00 0.00 H new ATOM 115 N LEU A 7 3.101 -1.210 -5.056 1.00 0.00 N ATOM 116 CA LEU A 7 1.955 -0.317 -5.135 1.00 0.00 C ATOM 117 C LEU A 7 2.294 0.900 -5.998 1.00 0.00 C ATOM 118 O LEU A 7 2.811 1.903 -5.507 1.00 0.00 O ATOM 119 CB LEU A 7 1.542 0.107 -3.723 1.00 0.00 C ATOM 120 CG LEU A 7 1.616 -1.006 -2.680 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.079 -0.521 -1.342 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.865 -2.238 -3.162 1.00 0.00 C ATOM 0 H LEU A 7 3.841 -0.893 -4.429 1.00 0.00 H new ATOM 0 HA LEU A 7 1.118 -0.836 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.181 0.930 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.522 0.489 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 7 2.661 -1.284 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.140 -1.328 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.672 0.326 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.040 -0.213 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.928 -3.021 -2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.181 -1.983 -3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.309 -2.594 -4.092 1.00 0.00 H new ATOM 134 N ASN A 8 2.014 0.787 -7.295 1.00 0.00 N ATOM 135 CA ASN A 8 2.304 1.861 -8.244 1.00 0.00 C ATOM 136 C ASN A 8 1.074 2.710 -8.551 1.00 0.00 C ATOM 137 O ASN A 8 0.178 2.282 -9.272 1.00 0.00 O ATOM 138 CB ASN A 8 2.859 1.284 -9.550 1.00 0.00 C ATOM 139 CG ASN A 8 4.271 0.728 -9.421 1.00 0.00 C ATOM 140 OD1 ASN A 8 4.876 0.858 -8.244 1.00 0.00 O flip ATOM 141 ND2 ASN A 8 4.817 0.186 -10.382 1.00 0.00 N flip ATOM 0 H ASN A 8 1.586 -0.039 -7.714 1.00 0.00 H new ATOM 0 HA ASN A 8 3.049 2.504 -7.775 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.196 0.492 -9.898 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.853 2.063 -10.313 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.322 0.104 -11.270 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.764 -0.181 -10.290 1.00 0.00 H new ATOM 148 N GLY A 9 1.045 3.923 -8.015 1.00 0.00 N ATOM 149 CA GLY A 9 -0.076 4.808 -8.266 1.00 0.00 C ATOM 150 C GLY A 9 0.318 6.002 -9.108 1.00 0.00 C ATOM 151 O GLY A 9 1.431 6.060 -9.631 1.00 0.00 O ATOM 0 H GLY A 9 1.773 4.309 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.868 4.255 -8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.484 5.154 -7.316 1.00 0.00 H new ATOM 155 N LYS A 10 -0.591 6.960 -9.237 1.00 0.00 N ATOM 156 CA LYS A 10 -0.321 8.158 -10.017 1.00 0.00 C ATOM 157 C LYS A 10 0.584 9.112 -9.243 1.00 0.00 C ATOM 158 O LYS A 10 1.646 9.506 -9.722 1.00 0.00 O ATOM 159 CB LYS A 10 -1.629 8.863 -10.381 1.00 0.00 C ATOM 160 CG LYS A 10 -2.552 8.023 -11.248 1.00 0.00 C ATOM 161 CD LYS A 10 -3.847 8.758 -11.555 1.00 0.00 C ATOM 162 CE LYS A 10 -4.775 7.918 -12.417 1.00 0.00 C ATOM 163 NZ LYS A 10 -4.158 7.572 -13.728 1.00 0.00 N ATOM 0 H LYS A 10 -1.518 6.930 -8.813 1.00 0.00 H new ATOM 0 HA LYS A 10 0.188 7.859 -10.933 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.153 9.135 -9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.398 9.791 -10.904 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.047 7.769 -12.180 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.776 7.085 -10.741 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.349 9.016 -10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.623 9.694 -12.066 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.034 7.002 -11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.704 8.462 -12.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.888 7.195 -14.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.736 8.424 -14.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.419 6.854 -13.585 1.00 0.00 H new ATOM 177 N THR A 11 0.146 9.481 -8.045 1.00 0.00 N ATOM 178 CA THR A 11 0.893 10.391 -7.193 1.00 0.00 C ATOM 179 C THR A 11 1.523 9.653 -6.018 1.00 0.00 C ATOM 180 O THR A 11 2.081 10.274 -5.114 1.00 0.00 O ATOM 181 CB THR A 11 -0.042 11.480 -6.673 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.278 10.924 -6.257 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.345 12.552 -7.691 1.00 0.00 C ATOM 0 H THR A 11 -0.733 9.158 -7.641 1.00 0.00 H new ATOM 0 HA THR A 11 1.694 10.837 -7.783 1.00 0.00 H new ATOM 0 HB THR A 11 0.490 11.937 -5.839 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.944 11.637 -6.169 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.015 13.292 -7.252 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.582 13.037 -7.995 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.822 12.102 -8.562 1.00 0.00 H new ATOM 191 N LEU A 12 1.418 8.330 -6.024 1.00 0.00 N ATOM 192 CA LEU A 12 1.967 7.525 -4.945 1.00 0.00 C ATOM 193 C LEU A 12 2.661 6.277 -5.483 1.00 0.00 C ATOM 194 O LEU A 12 2.162 5.614 -6.393 1.00 0.00 O ATOM 195 CB LEU A 12 0.853 7.143 -3.968 1.00 0.00 C ATOM 196 CG LEU A 12 1.285 6.267 -2.800 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.492 6.883 -2.117 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.139 6.084 -1.816 1.00 0.00 C ATOM 0 H LEU A 12 0.959 7.795 -6.762 1.00 0.00 H new ATOM 0 HA LEU A 12 2.717 8.117 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.411 8.057 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.070 6.624 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 12 1.561 5.282 -3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.798 6.253 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.312 6.963 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.234 7.875 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.467 5.455 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.170 7.056 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.702 5.609 -2.321 1.00 0.00 H new ATOM 210 N LYS A 13 3.818 5.963 -4.908 1.00 0.00 N ATOM 211 CA LYS A 13 4.589 4.794 -5.321 1.00 0.00 C ATOM 212 C LYS A 13 5.288 4.164 -4.121 1.00 0.00 C ATOM 213 O LYS A 13 5.719 4.869 -3.210 1.00 0.00 O ATOM 214 CB LYS A 13 5.622 5.187 -6.378 1.00 0.00 C ATOM 215 CG LYS A 13 5.006 5.792 -7.631 1.00 0.00 C ATOM 216 CD LYS A 13 6.063 6.312 -8.597 1.00 0.00 C ATOM 217 CE LYS A 13 6.954 5.198 -9.129 1.00 0.00 C ATOM 218 NZ LYS A 13 7.899 4.686 -8.097 1.00 0.00 N ATOM 0 H LYS A 13 4.243 6.502 -4.154 1.00 0.00 H new ATOM 0 HA LYS A 13 3.903 4.064 -5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.321 5.902 -5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.200 4.306 -6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.395 5.041 -8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.340 6.608 -7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.574 6.814 -9.432 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.678 7.057 -8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.331 4.378 -9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.519 5.566 -9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.847 4.586 -8.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.939 5.354 -7.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.572 3.760 -7.756 1.00 0.00 H new ATOM 232 N GLY A 14 5.395 2.838 -4.118 1.00 0.00 N ATOM 233 CA GLY A 14 6.043 2.165 -3.007 1.00 0.00 C ATOM 234 C GLY A 14 6.197 0.671 -3.219 1.00 0.00 C ATOM 235 O GLY A 14 5.838 0.141 -4.271 1.00 0.00 O ATOM 0 H GLY A 14 5.049 2.224 -4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.027 2.606 -2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.465 2.339 -2.099 1.00 0.00 H new ATOM 239 N GLU A 15 6.730 -0.006 -2.204 1.00 0.00 N ATOM 240 CA GLU A 15 6.932 -1.448 -2.259 1.00 0.00 C ATOM 241 C GLU A 15 6.541 -2.090 -0.932 1.00 0.00 C ATOM 242 O GLU A 15 6.828 -1.552 0.138 1.00 0.00 O ATOM 243 CB GLU A 15 8.390 -1.786 -2.588 1.00 0.00 C ATOM 244 CG GLU A 15 8.901 -1.148 -3.872 1.00 0.00 C ATOM 245 CD GLU A 15 9.520 0.221 -3.649 1.00 0.00 C ATOM 246 OE1 GLU A 15 8.822 1.116 -3.129 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.706 0.398 -3.998 1.00 0.00 O ATOM 0 H GLU A 15 7.030 0.426 -1.330 1.00 0.00 H new ATOM 0 HA GLU A 15 6.297 -1.845 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.022 -1.466 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.492 -2.868 -2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.641 -1.805 -4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.077 -1.057 -4.579 1.00 0.00 H new ATOM 254 N THR A 16 5.881 -3.238 -1.011 1.00 0.00 N ATOM 255 CA THR A 16 5.440 -3.953 0.178 1.00 0.00 C ATOM 256 C THR A 16 5.676 -5.456 0.034 1.00 0.00 C ATOM 257 O THR A 16 5.965 -5.942 -1.058 1.00 0.00 O ATOM 258 CB THR A 16 3.964 -3.657 0.454 1.00 0.00 C ATOM 259 OG1 THR A 16 3.406 -4.653 1.273 1.00 0.00 O ATOM 260 CG2 THR A 16 3.117 -3.556 -0.796 1.00 0.00 C ATOM 0 H THR A 16 5.639 -3.695 -1.890 1.00 0.00 H new ATOM 0 HA THR A 16 6.029 -3.606 1.027 1.00 0.00 H new ATOM 0 HB THR A 16 3.955 -2.685 0.947 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.467 -4.439 1.454 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.084 -3.345 -0.519 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.495 -2.752 -1.428 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.161 -4.498 -1.342 1.00 0.00 H new ATOM 268 N THR A 17 5.571 -6.183 1.145 1.00 0.00 N ATOM 269 CA THR A 17 5.792 -7.626 1.133 1.00 0.00 C ATOM 270 C THR A 17 4.860 -8.372 2.091 1.00 0.00 C ATOM 271 O THR A 17 4.848 -8.110 3.294 1.00 0.00 O ATOM 272 CB THR A 17 7.245 -7.931 1.493 1.00 0.00 C ATOM 273 OG1 THR A 17 7.577 -7.375 2.753 1.00 0.00 O ATOM 274 CG2 THR A 17 8.237 -7.403 0.479 1.00 0.00 C ATOM 0 H THR A 17 5.336 -5.798 2.060 1.00 0.00 H new ATOM 0 HA THR A 17 5.571 -7.975 0.125 1.00 0.00 H new ATOM 0 HB THR A 17 7.316 -9.019 1.512 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.773 -7.325 3.311 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.249 -7.654 0.796 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.039 -7.854 -0.493 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.138 -6.320 0.403 1.00 0.00 H new ATOM 282 N THR A 18 4.095 -9.314 1.546 1.00 0.00 N ATOM 283 CA THR A 18 3.169 -10.121 2.339 1.00 0.00 C ATOM 284 C THR A 18 3.707 -11.544 2.494 1.00 0.00 C ATOM 285 O THR A 18 4.256 -12.116 1.552 1.00 0.00 O ATOM 286 CB THR A 18 1.792 -10.161 1.673 1.00 0.00 C ATOM 287 OG1 THR A 18 0.862 -10.833 2.500 1.00 0.00 O ATOM 288 CG2 THR A 18 1.796 -10.851 0.327 1.00 0.00 C ATOM 0 H THR A 18 4.098 -9.539 0.551 1.00 0.00 H new ATOM 0 HA THR A 18 3.073 -9.666 3.325 1.00 0.00 H new ATOM 0 HB THR A 18 1.510 -9.119 1.523 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.125 -10.731 3.438 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.788 -10.844 -0.089 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.471 -10.326 -0.349 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.131 -11.881 0.447 1.00 0.00 H new ATOM 296 N GLU A 19 3.532 -12.112 3.680 1.00 0.00 N ATOM 297 CA GLU A 19 3.984 -13.472 3.958 1.00 0.00 C ATOM 298 C GLU A 19 2.804 -14.433 3.857 1.00 0.00 C ATOM 299 O GLU A 19 1.915 -14.414 4.707 1.00 0.00 O ATOM 300 CB GLU A 19 4.591 -13.546 5.361 1.00 0.00 C ATOM 301 CG GLU A 19 5.177 -14.905 5.710 1.00 0.00 C ATOM 302 CD GLU A 19 6.415 -15.233 4.899 1.00 0.00 C ATOM 303 OE1 GLU A 19 6.321 -15.256 3.656 1.00 0.00 O ATOM 304 OE2 GLU A 19 7.478 -15.467 5.511 1.00 0.00 O ATOM 0 H GLU A 19 3.079 -11.651 4.469 1.00 0.00 H new ATOM 0 HA GLU A 19 4.743 -13.752 3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.373 -12.791 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.823 -13.294 6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.426 -14.927 6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.424 -15.675 5.543 1.00 0.00 H new ATOM 311 N ALA A 20 2.782 -15.260 2.815 1.00 0.00 N ATOM 312 CA ALA A 20 1.682 -16.199 2.631 1.00 0.00 C ATOM 313 C ALA A 20 2.162 -17.530 2.057 1.00 0.00 C ATOM 314 O ALA A 20 3.138 -17.588 1.311 1.00 0.00 O ATOM 315 CB ALA A 20 0.622 -15.586 1.730 1.00 0.00 C ATOM 0 H ALA A 20 3.503 -15.299 2.095 1.00 0.00 H new ATOM 0 HA ALA A 20 1.250 -16.403 3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.196 -16.294 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.241 -14.672 2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.060 -15.352 0.760 1.00 0.00 H new ATOM 321 N VAL A 21 1.469 -18.600 2.437 1.00 0.00 N ATOM 322 CA VAL A 21 1.814 -19.949 1.995 1.00 0.00 C ATOM 323 C VAL A 21 1.980 -20.030 0.478 1.00 0.00 C ATOM 324 O VAL A 21 2.711 -20.881 -0.028 1.00 0.00 O ATOM 325 CB VAL A 21 0.741 -20.962 2.430 1.00 0.00 C ATOM 326 CG1 VAL A 21 1.181 -22.384 2.112 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.429 -20.806 3.911 1.00 0.00 C ATOM 0 H VAL A 21 0.659 -18.558 3.055 1.00 0.00 H new ATOM 0 HA VAL A 21 2.766 -20.194 2.465 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.171 -20.760 1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.407 -23.084 2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.343 -22.483 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.108 -22.605 2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.332 -21.531 4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.334 -20.978 4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.061 -19.798 4.101 1.00 0.00 H new ATOM 337 N ASP A 22 1.313 -19.137 -0.243 1.00 0.00 N ATOM 338 CA ASP A 22 1.413 -19.118 -1.701 1.00 0.00 C ATOM 339 C ASP A 22 1.030 -17.755 -2.267 1.00 0.00 C ATOM 340 O ASP A 22 0.630 -16.854 -1.530 1.00 0.00 O ATOM 341 CB ASP A 22 0.542 -20.215 -2.321 1.00 0.00 C ATOM 342 CG ASP A 22 -0.935 -20.024 -2.046 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.292 -19.015 -1.409 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.735 -20.881 -2.474 1.00 0.00 O ATOM 0 H ASP A 22 0.702 -18.422 0.151 1.00 0.00 H new ATOM 0 HA ASP A 22 2.454 -19.311 -1.961 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.706 -20.236 -3.398 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.856 -21.184 -1.932 1.00 0.00 H new ATOM 349 N ALA A 23 1.169 -17.607 -3.582 1.00 0.00 N ATOM 350 CA ALA A 23 0.851 -16.349 -4.249 1.00 0.00 C ATOM 351 C ALA A 23 -0.589 -15.931 -3.998 1.00 0.00 C ATOM 352 O ALA A 23 -0.867 -14.760 -3.743 1.00 0.00 O ATOM 353 CB ALA A 23 1.121 -16.460 -5.742 1.00 0.00 C ATOM 0 H ALA A 23 1.500 -18.343 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 23 1.496 -15.577 -3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.879 -15.514 -6.227 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.173 -16.693 -5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.504 -17.253 -6.165 1.00 0.00 H new ATOM 359 N ALA A 24 -1.503 -16.888 -4.061 1.00 0.00 N ATOM 360 CA ALA A 24 -2.912 -16.600 -3.827 1.00 0.00 C ATOM 361 C ALA A 24 -3.112 -16.078 -2.413 1.00 0.00 C ATOM 362 O ALA A 24 -3.644 -14.987 -2.216 1.00 0.00 O ATOM 363 CB ALA A 24 -3.761 -17.838 -4.073 1.00 0.00 C ATOM 0 H ALA A 24 -1.297 -17.865 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.232 -15.829 -4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.810 -17.602 -3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.635 -18.166 -5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.447 -18.634 -3.398 1.00 0.00 H new ATOM 369 N THR A 25 -2.653 -16.846 -1.429 1.00 0.00 N ATOM 370 CA THR A 25 -2.760 -16.434 -0.039 1.00 0.00 C ATOM 371 C THR A 25 -2.185 -15.034 0.116 1.00 0.00 C ATOM 372 O THR A 25 -2.805 -14.163 0.727 1.00 0.00 O ATOM 373 CB THR A 25 -2.021 -17.422 0.865 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.679 -17.586 0.445 1.00 0.00 O ATOM 375 CG2 THR A 25 -2.664 -18.791 0.910 1.00 0.00 C ATOM 0 H THR A 25 -2.206 -17.752 -1.570 1.00 0.00 H new ATOM 0 HA THR A 25 -3.809 -16.424 0.256 1.00 0.00 H new ATOM 0 HB THR A 25 -2.067 -16.986 1.863 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.643 -17.605 -0.534 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.089 -19.442 1.569 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.683 -18.702 1.286 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.684 -19.217 -0.093 1.00 0.00 H new ATOM 383 N ALA A 26 -1.013 -14.811 -0.476 1.00 0.00 N ATOM 384 CA ALA A 26 -0.389 -13.500 -0.433 1.00 0.00 C ATOM 385 C ALA A 26 -1.327 -12.493 -1.077 1.00 0.00 C ATOM 386 O ALA A 26 -1.720 -11.505 -0.458 1.00 0.00 O ATOM 387 CB ALA A 26 0.955 -13.521 -1.149 1.00 0.00 C ATOM 0 H ALA A 26 -0.484 -15.518 -0.986 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.205 -13.216 0.603 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.406 -12.530 -1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.614 -14.241 -0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.808 -13.807 -2.190 1.00 0.00 H new ATOM 393 N GLU A 27 -1.706 -12.774 -2.322 1.00 0.00 N ATOM 394 CA GLU A 27 -2.625 -11.925 -3.064 1.00 0.00 C ATOM 395 C GLU A 27 -3.844 -11.578 -2.213 1.00 0.00 C ATOM 396 O GLU A 27 -4.224 -10.414 -2.099 1.00 0.00 O ATOM 397 CB GLU A 27 -3.063 -12.650 -4.337 1.00 0.00 C ATOM 398 CG GLU A 27 -4.011 -11.845 -5.202 1.00 0.00 C ATOM 399 CD GLU A 27 -4.441 -12.592 -6.451 1.00 0.00 C ATOM 400 OE1 GLU A 27 -3.999 -13.746 -6.637 1.00 0.00 O ATOM 401 OE2 GLU A 27 -5.221 -12.023 -7.243 1.00 0.00 O ATOM 0 H GLU A 27 -1.385 -13.592 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.118 -10.996 -3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.179 -12.904 -4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.544 -13.589 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.894 -11.582 -4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.529 -10.911 -5.490 1.00 0.00 H new ATOM 408 N LYS A 28 -4.444 -12.602 -1.610 1.00 0.00 N ATOM 409 CA LYS A 28 -5.613 -12.410 -0.760 1.00 0.00 C ATOM 410 C LYS A 28 -5.276 -11.502 0.413 1.00 0.00 C ATOM 411 O LYS A 28 -6.043 -10.602 0.757 1.00 0.00 O ATOM 412 CB LYS A 28 -6.129 -13.754 -0.247 1.00 0.00 C ATOM 413 CG LYS A 28 -6.650 -14.661 -1.346 1.00 0.00 C ATOM 414 CD LYS A 28 -7.752 -13.982 -2.140 1.00 0.00 C ATOM 415 CE LYS A 28 -8.306 -14.896 -3.221 1.00 0.00 C ATOM 416 NZ LYS A 28 -8.882 -16.149 -2.652 1.00 0.00 N ATOM 0 H LYS A 28 -4.139 -13.572 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.394 -11.938 -1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.325 -14.264 0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.926 -13.577 0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.833 -14.935 -2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.029 -15.585 -0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.556 -13.684 -1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.364 -13.071 -2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.075 -14.367 -3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.512 -15.148 -3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.453 -16.629 -3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.112 -16.777 -2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.483 -15.915 -1.836 1.00 0.00 H new ATOM 430 N VAL A 29 -4.121 -11.741 1.018 1.00 0.00 N ATOM 431 CA VAL A 29 -3.673 -10.940 2.148 1.00 0.00 C ATOM 432 C VAL A 29 -3.665 -9.465 1.785 1.00 0.00 C ATOM 433 O VAL A 29 -4.061 -8.616 2.583 1.00 0.00 O ATOM 434 CB VAL A 29 -2.265 -11.364 2.610 1.00 0.00 C ATOM 435 CG1 VAL A 29 -1.749 -10.436 3.698 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.273 -12.808 3.091 1.00 0.00 C ATOM 0 H VAL A 29 -3.477 -12.483 0.745 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.373 -11.107 2.967 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.590 -11.290 1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.754 -10.756 4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.700 -9.417 3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.423 -10.469 4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.271 -13.090 3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.965 -12.909 3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.589 -13.461 2.277 1.00 0.00 H new ATOM 446 N VAL A 30 -3.226 -9.168 0.571 1.00 0.00 N ATOM 447 CA VAL A 30 -3.186 -7.794 0.104 1.00 0.00 C ATOM 448 C VAL A 30 -4.605 -7.227 0.065 1.00 0.00 C ATOM 449 O VAL A 30 -4.857 -6.134 0.568 1.00 0.00 O ATOM 450 CB VAL A 30 -2.543 -7.693 -1.288 1.00 0.00 C ATOM 451 CG1 VAL A 30 -2.371 -6.239 -1.692 1.00 0.00 C ATOM 452 CG2 VAL A 30 -1.206 -8.423 -1.316 1.00 0.00 C ATOM 0 H VAL A 30 -2.895 -9.857 -0.104 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.575 -7.215 0.797 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.207 -8.171 -2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.914 -6.188 -2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.345 -5.751 -1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.730 -5.734 -0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.767 -8.340 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.533 -7.978 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.361 -9.475 -1.074 1.00 0.00 H new ATOM 462 N LYS A 31 -5.546 -7.994 -0.502 1.00 0.00 N ATOM 463 CA LYS A 31 -6.942 -7.560 -0.553 1.00 0.00 C ATOM 464 C LYS A 31 -7.420 -7.086 0.811 1.00 0.00 C ATOM 465 O LYS A 31 -7.974 -5.995 0.935 1.00 0.00 O ATOM 466 CB LYS A 31 -7.874 -8.666 -1.064 1.00 0.00 C ATOM 467 CG LYS A 31 -7.945 -8.790 -2.579 1.00 0.00 C ATOM 468 CD LYS A 31 -6.604 -9.062 -3.233 1.00 0.00 C ATOM 469 CE LYS A 31 -6.751 -9.040 -4.748 1.00 0.00 C ATOM 470 NZ LYS A 31 -5.503 -9.433 -5.452 1.00 0.00 N ATOM 0 H LYS A 31 -5.367 -8.905 -0.925 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.980 -6.729 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.545 -9.619 -0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.878 -8.482 -0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.634 -9.594 -2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.360 -7.870 -2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.878 -8.312 -2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.222 -10.031 -2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.556 -9.714 -5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.043 -8.039 -5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.131 -8.618 -5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.796 -9.746 -4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.707 -10.210 -6.112 1.00 0.00 H new ATOM 484 N GLN A 32 -7.199 -7.901 1.833 1.00 0.00 N ATOM 485 CA GLN A 32 -7.609 -7.536 3.183 1.00 0.00 C ATOM 486 C GLN A 32 -6.838 -6.304 3.632 1.00 0.00 C ATOM 487 O GLN A 32 -7.384 -5.407 4.274 1.00 0.00 O ATOM 488 CB GLN A 32 -7.363 -8.697 4.150 1.00 0.00 C ATOM 489 CG GLN A 32 -7.863 -8.433 5.564 1.00 0.00 C ATOM 490 CD GLN A 32 -9.378 -8.292 5.666 1.00 0.00 C ATOM 491 OE1 GLN A 32 -10.098 -8.567 4.579 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -9.901 -7.951 6.726 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.743 -8.810 1.756 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.676 -7.312 3.182 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.852 -9.591 3.762 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.294 -8.908 4.186 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.539 -9.248 6.212 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.397 -7.522 5.940 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.320 -7.748 7.539 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.916 -7.872 6.792 1.00 0.00 H new ATOM 501 N PHE A 33 -5.561 -6.276 3.276 1.00 0.00 N ATOM 502 CA PHE A 33 -4.680 -5.167 3.617 1.00 0.00 C ATOM 503 C PHE A 33 -5.277 -3.838 3.148 1.00 0.00 C ATOM 504 O PHE A 33 -5.490 -2.926 3.943 1.00 0.00 O ATOM 505 CB PHE A 33 -3.310 -5.398 2.969 1.00 0.00 C ATOM 506 CG PHE A 33 -2.238 -4.463 3.445 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.599 -4.701 4.648 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.865 -3.356 2.695 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.610 -3.854 5.098 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.873 -2.505 3.146 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.248 -2.757 4.351 1.00 0.00 C ATOM 0 H PHE A 33 -5.107 -7.019 2.744 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.566 -5.118 4.700 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.996 -6.423 3.166 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.410 -5.297 1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.878 -5.560 5.241 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.353 -3.158 1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.118 -4.052 6.039 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.588 -1.646 2.557 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.525 -2.093 4.707 1.00 0.00 H new ATOM 521 N PHE A 34 -5.549 -3.752 1.852 1.00 0.00 N ATOM 522 CA PHE A 34 -6.126 -2.543 1.264 1.00 0.00 C ATOM 523 C PHE A 34 -7.606 -2.416 1.591 1.00 0.00 C ATOM 524 O PHE A 34 -8.093 -1.322 1.877 1.00 0.00 O ATOM 525 CB PHE A 34 -5.874 -2.517 -0.240 1.00 0.00 C ATOM 526 CG PHE A 34 -4.409 -2.461 -0.548 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.590 -1.579 0.139 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.845 -3.298 -1.493 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.237 -1.533 -0.109 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.487 -3.253 -1.749 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.685 -2.369 -1.053 1.00 0.00 C ATOM 0 H PHE A 34 -5.380 -4.505 1.185 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.633 -1.677 1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.310 -3.404 -0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.373 -1.653 -0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.019 -0.919 0.879 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.470 -3.992 -2.035 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.610 -0.843 0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.054 -3.907 -2.491 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.624 -2.334 -1.250 1.00 0.00 H new ATOM 541 N ASN A 35 -8.318 -3.534 1.576 1.00 0.00 N ATOM 542 CA ASN A 35 -9.739 -3.532 1.904 1.00 0.00 C ATOM 543 C ASN A 35 -9.969 -2.798 3.223 1.00 0.00 C ATOM 544 O ASN A 35 -10.958 -2.086 3.397 1.00 0.00 O ATOM 545 CB ASN A 35 -10.246 -4.970 2.026 1.00 0.00 C ATOM 546 CG ASN A 35 -11.688 -5.045 2.486 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.049 -4.509 3.533 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.513 -5.723 1.708 1.00 0.00 N ATOM 0 H ASN A 35 -7.938 -4.451 1.341 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.284 -3.022 1.109 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.151 -5.468 1.061 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.616 -5.515 2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.495 -5.819 1.967 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.168 -6.150 0.849 1.00 0.00 H new ATOM 555 N ASP A 36 -9.038 -2.999 4.148 1.00 0.00 N ATOM 556 CA ASP A 36 -9.112 -2.383 5.472 1.00 0.00 C ATOM 557 C ASP A 36 -8.334 -1.069 5.557 1.00 0.00 C ATOM 558 O ASP A 36 -8.664 -0.212 6.377 1.00 0.00 O ATOM 559 CB ASP A 36 -8.607 -3.356 6.539 1.00 0.00 C ATOM 560 CG ASP A 36 -9.418 -4.637 6.582 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.642 -4.557 6.813 1.00 0.00 O ATOM 562 OD2 ASP A 36 -8.827 -5.719 6.385 1.00 0.00 O ATOM 0 H ASP A 36 -8.217 -3.587 4.006 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.161 -2.149 5.652 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.562 -3.597 6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.644 -2.872 7.515 1.00 0.00 H new ATOM 567 N ASN A 37 -7.324 -0.888 4.707 1.00 0.00 N ATOM 568 CA ASN A 37 -6.562 0.358 4.723 1.00 0.00 C ATOM 569 C ASN A 37 -7.351 1.438 4.002 1.00 0.00 C ATOM 570 O ASN A 37 -7.489 2.557 4.493 1.00 0.00 O ATOM 571 CB ASN A 37 -5.188 0.194 4.060 1.00 0.00 C ATOM 572 CG ASN A 37 -4.259 -0.719 4.834 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.220 -0.687 6.064 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.476 -1.517 4.114 1.00 0.00 N ATOM 0 H ASN A 37 -7.020 -1.572 4.014 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.397 0.640 5.763 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.322 -0.203 3.054 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.722 1.174 3.957 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.811 -2.134 4.580 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.541 -1.512 3.096 1.00 0.00 H new ATOM 581 N GLY A 38 -7.870 1.059 2.835 1.00 0.00 N ATOM 582 CA GLY A 38 -8.670 1.940 1.995 1.00 0.00 C ATOM 583 C GLY A 38 -8.941 3.323 2.559 1.00 0.00 C ATOM 584 O GLY A 38 -8.025 4.122 2.758 1.00 0.00 O ATOM 0 H GLY A 38 -7.744 0.125 2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.166 2.052 1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.626 1.455 1.799 1.00 0.00 H new ATOM 588 N VAL A 39 -10.221 3.626 2.730 1.00 0.00 N ATOM 589 CA VAL A 39 -10.651 4.948 3.179 1.00 0.00 C ATOM 590 C VAL A 39 -10.599 5.172 4.692 1.00 0.00 C ATOM 591 O VAL A 39 -10.003 6.148 5.147 1.00 0.00 O ATOM 592 CB VAL A 39 -12.075 5.247 2.671 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.571 6.593 3.185 1.00 0.00 C ATOM 594 CG2 VAL A 39 -12.109 5.212 1.151 1.00 0.00 C ATOM 0 H VAL A 39 -10.985 2.971 2.564 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.924 5.637 2.750 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.742 4.476 3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.578 6.777 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.585 6.583 4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.905 7.383 2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.120 5.425 0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.424 5.962 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.807 4.224 0.803 1.00 0.00 H new ATOM 604 N ASP A 40 -11.255 4.324 5.470 1.00 0.00 N ATOM 605 CA ASP A 40 -11.298 4.517 6.921 1.00 0.00 C ATOM 606 C ASP A 40 -10.231 3.721 7.672 1.00 0.00 C ATOM 607 O ASP A 40 -10.433 3.356 8.830 1.00 0.00 O ATOM 608 CB ASP A 40 -12.681 4.144 7.455 1.00 0.00 C ATOM 609 CG ASP A 40 -13.780 4.997 6.851 1.00 0.00 C ATOM 610 OD1 ASP A 40 -13.736 6.233 7.028 1.00 0.00 O ATOM 611 OD2 ASP A 40 -14.684 4.429 6.203 1.00 0.00 O ATOM 0 H ASP A 40 -11.760 3.505 5.132 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.089 5.572 7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.880 3.094 7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.692 4.256 8.539 1.00 0.00 H new ATOM 616 N GLY A 41 -9.102 3.461 7.031 1.00 0.00 N ATOM 617 CA GLY A 41 -8.044 2.718 7.695 1.00 0.00 C ATOM 618 C GLY A 41 -7.441 3.489 8.860 1.00 0.00 C ATOM 619 O GLY A 41 -7.327 4.713 8.808 1.00 0.00 O ATOM 0 H GLY A 41 -8.897 3.746 6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.441 1.769 8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.261 2.482 6.974 1.00 0.00 H new ATOM 623 N GLU A 42 -7.049 2.768 9.909 1.00 0.00 N ATOM 624 CA GLU A 42 -6.447 3.390 11.089 1.00 0.00 C ATOM 625 C GLU A 42 -5.009 3.808 10.796 1.00 0.00 C ATOM 626 O GLU A 42 -4.091 2.990 10.874 1.00 0.00 O ATOM 627 CB GLU A 42 -6.478 2.424 12.275 1.00 0.00 C ATOM 628 CG GLU A 42 -7.881 1.998 12.680 1.00 0.00 C ATOM 629 CD GLU A 42 -8.747 3.171 13.097 1.00 0.00 C ATOM 630 OE1 GLU A 42 -8.373 3.869 14.064 1.00 0.00 O ATOM 631 OE2 GLU A 42 -9.798 3.392 12.461 1.00 0.00 O ATOM 0 H GLU A 42 -7.137 1.753 9.967 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.027 4.278 11.342 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.896 1.537 12.025 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.990 2.895 13.129 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.354 1.479 11.846 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.818 1.287 13.503 1.00 0.00 H new ATOM 638 N TRP A 43 -4.820 5.074 10.434 1.00 0.00 N ATOM 639 CA TRP A 43 -3.490 5.577 10.103 1.00 0.00 C ATOM 640 C TRP A 43 -2.948 6.524 11.169 1.00 0.00 C ATOM 641 O TRP A 43 -3.621 7.474 11.568 1.00 0.00 O ATOM 642 CB TRP A 43 -3.511 6.343 8.780 1.00 0.00 C ATOM 643 CG TRP A 43 -4.154 5.629 7.631 1.00 0.00 C ATOM 644 CD1 TRP A 43 -4.844 4.453 7.650 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.162 6.076 6.277 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.288 4.147 6.386 1.00 0.00 N ATOM 647 CE2 TRP A 43 -4.879 5.130 5.524 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.630 7.191 5.633 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -5.079 5.270 4.154 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.826 7.331 4.277 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.547 6.375 3.548 1.00 0.00 C ATOM 0 H TRP A 43 -5.566 5.766 10.363 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.847 4.699 10.035 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.032 7.288 8.936 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.485 6.587 8.505 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.016 3.850 8.530 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.833 3.323 6.131 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.074 7.932 6.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.633 4.534 3.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -3.418 8.191 3.767 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.685 6.514 2.486 1.00 0.00 H new ATOM 662 N THR A 44 -1.710 6.288 11.584 1.00 0.00 N ATOM 663 CA THR A 44 -1.051 7.150 12.556 1.00 0.00 C ATOM 664 C THR A 44 0.001 7.987 11.833 1.00 0.00 C ATOM 665 O THR A 44 0.688 7.487 10.943 1.00 0.00 O ATOM 666 CB THR A 44 -0.410 6.321 13.672 1.00 0.00 C ATOM 667 OG1 THR A 44 0.519 5.395 13.142 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.416 5.544 14.494 1.00 0.00 C ATOM 0 H THR A 44 -1.141 5.505 11.262 1.00 0.00 H new ATOM 0 HA THR A 44 -1.787 7.807 13.019 1.00 0.00 H new ATOM 0 HB THR A 44 0.083 7.045 14.320 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.189 5.872 12.609 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.895 4.979 15.267 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.117 6.236 14.961 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.961 4.857 13.847 1.00 0.00 H new ATOM 676 N TYR A 45 0.113 9.262 12.188 1.00 0.00 N ATOM 677 CA TYR A 45 1.073 10.144 11.530 1.00 0.00 C ATOM 678 C TYR A 45 2.205 10.550 12.466 1.00 0.00 C ATOM 679 O TYR A 45 1.982 10.845 13.640 1.00 0.00 O ATOM 680 CB TYR A 45 0.362 11.391 11.001 1.00 0.00 C ATOM 681 CG TYR A 45 1.267 12.329 10.230 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.244 11.836 9.374 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.142 13.707 10.358 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.071 12.689 8.667 1.00 0.00 C ATOM 685 CE2 TYR A 45 1.966 14.568 9.655 1.00 0.00 C ATOM 686 CZ TYR A 45 2.928 14.053 8.811 1.00 0.00 C ATOM 687 OH TYR A 45 3.749 14.905 8.110 1.00 0.00 O ATOM 0 H TYR A 45 -0.442 9.706 12.920 1.00 0.00 H new ATOM 0 HA TYR A 45 1.512 9.592 10.699 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.461 11.083 10.356 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.076 11.932 11.840 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.359 10.768 9.259 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.389 14.113 11.017 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.825 12.289 8.005 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.857 15.637 9.766 1.00 0.00 H new ATOM 0 HH TYR A 45 3.517 15.833 8.324 1.00 0.00 H new ATOM 697 N ASP A 46 3.422 10.581 11.929 1.00 0.00 N ATOM 698 CA ASP A 46 4.595 10.969 12.698 1.00 0.00 C ATOM 699 C ASP A 46 5.307 12.136 12.020 1.00 0.00 C ATOM 700 O ASP A 46 6.282 11.941 11.294 1.00 0.00 O ATOM 701 CB ASP A 46 5.552 9.784 12.850 1.00 0.00 C ATOM 702 CG ASP A 46 6.772 10.128 13.682 1.00 0.00 C ATOM 703 OD1 ASP A 46 7.522 11.044 13.283 1.00 0.00 O ATOM 704 OD2 ASP A 46 6.977 9.483 14.731 1.00 0.00 O ATOM 0 H ASP A 46 3.619 10.340 10.958 1.00 0.00 H new ATOM 0 HA ASP A 46 4.270 11.283 13.690 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.023 8.951 13.313 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.871 9.450 11.863 1.00 0.00 H new ATOM 709 N ASP A 47 4.812 13.348 12.256 1.00 0.00 N ATOM 710 CA ASP A 47 5.397 14.545 11.659 1.00 0.00 C ATOM 711 C ASP A 47 6.911 14.581 11.853 1.00 0.00 C ATOM 712 O ASP A 47 7.648 15.035 10.979 1.00 0.00 O ATOM 713 CB ASP A 47 4.766 15.800 12.265 1.00 0.00 C ATOM 714 CG ASP A 47 3.269 15.865 12.031 1.00 0.00 C ATOM 715 OD1 ASP A 47 2.557 14.943 12.481 1.00 0.00 O ATOM 716 OD2 ASP A 47 2.808 16.839 11.398 1.00 0.00 O ATOM 0 H ASP A 47 4.007 13.527 12.856 1.00 0.00 H new ATOM 0 HA ASP A 47 5.192 14.517 10.589 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.965 15.822 13.336 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.237 16.684 11.835 1.00 0.00 H new ATOM 721 N ALA A 48 7.365 14.104 13.007 1.00 0.00 N ATOM 722 CA ALA A 48 8.789 14.086 13.322 1.00 0.00 C ATOM 723 C ALA A 48 9.597 13.384 12.234 1.00 0.00 C ATOM 724 O ALA A 48 10.753 13.730 11.989 1.00 0.00 O ATOM 725 CB ALA A 48 9.020 13.415 14.667 1.00 0.00 C ATOM 0 H ALA A 48 6.767 13.724 13.741 1.00 0.00 H new ATOM 0 HA ALA A 48 9.132 15.119 13.374 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.087 13.407 14.891 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.490 13.965 15.444 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.650 12.391 14.631 1.00 0.00 H new ATOM 731 N THR A 49 8.990 12.393 11.587 1.00 0.00 N ATOM 732 CA THR A 49 9.668 11.644 10.531 1.00 0.00 C ATOM 733 C THR A 49 8.982 11.825 9.177 1.00 0.00 C ATOM 734 O THR A 49 9.316 11.139 8.212 1.00 0.00 O ATOM 735 CB THR A 49 9.721 10.158 10.888 1.00 0.00 C ATOM 736 OG1 THR A 49 8.415 9.616 10.980 1.00 0.00 O ATOM 737 CG2 THR A 49 10.424 9.882 12.200 1.00 0.00 C ATOM 0 H THR A 49 8.034 12.090 11.774 1.00 0.00 H new ATOM 0 HA THR A 49 10.681 12.037 10.450 1.00 0.00 H new ATOM 0 HB THR A 49 10.288 9.689 10.084 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.758 10.343 10.965 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.426 8.809 12.393 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.451 10.243 12.145 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.902 10.395 13.008 1.00 0.00 H new ATOM 745 N LYS A 50 8.025 12.750 9.106 1.00 0.00 N ATOM 746 CA LYS A 50 7.310 13.003 7.855 1.00 0.00 C ATOM 747 C LYS A 50 6.821 11.692 7.239 1.00 0.00 C ATOM 748 O LYS A 50 6.845 11.523 6.016 1.00 0.00 O ATOM 749 CB LYS A 50 8.233 13.714 6.864 1.00 0.00 C ATOM 750 CG LYS A 50 8.570 15.144 7.249 1.00 0.00 C ATOM 751 CD LYS A 50 7.400 16.083 7.004 1.00 0.00 C ATOM 752 CE LYS A 50 6.969 16.064 5.546 1.00 0.00 C ATOM 753 NZ LYS A 50 8.117 16.302 4.630 1.00 0.00 N ATOM 0 H LYS A 50 7.729 13.331 9.890 1.00 0.00 H new ATOM 0 HA LYS A 50 6.448 13.634 8.073 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.159 13.145 6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.762 13.715 5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.852 15.181 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.434 15.481 6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.561 15.794 7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.680 17.097 7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.512 15.102 5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.208 16.827 5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.782 16.299 3.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.548 17.223 4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.824 15.550 4.757 1.00 0.00 H new ATOM 767 N THR A 51 6.405 10.758 8.088 1.00 0.00 N ATOM 768 CA THR A 51 5.946 9.460 7.612 1.00 0.00 C ATOM 769 C THR A 51 4.635 9.045 8.273 1.00 0.00 C ATOM 770 O THR A 51 4.396 9.326 9.446 1.00 0.00 O ATOM 771 CB THR A 51 7.022 8.406 7.880 1.00 0.00 C ATOM 772 OG1 THR A 51 8.224 8.734 7.206 1.00 0.00 O ATOM 773 CG2 THR A 51 6.626 7.010 7.453 1.00 0.00 C ATOM 0 H THR A 51 6.376 10.875 9.101 1.00 0.00 H new ATOM 0 HA THR A 51 5.764 9.540 6.540 1.00 0.00 H new ATOM 0 HB THR A 51 7.157 8.409 8.962 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.593 9.562 7.579 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.438 6.318 7.674 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.731 6.704 7.994 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.423 7.001 6.382 1.00 0.00 H new ATOM 781 N PHE A 52 3.802 8.351 7.506 1.00 0.00 N ATOM 782 CA PHE A 52 2.522 7.860 7.995 1.00 0.00 C ATOM 783 C PHE A 52 2.579 6.341 8.119 1.00 0.00 C ATOM 784 O PHE A 52 3.222 5.684 7.311 1.00 0.00 O ATOM 785 CB PHE A 52 1.390 8.246 7.033 1.00 0.00 C ATOM 786 CG PHE A 52 1.353 9.705 6.659 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.407 10.289 5.971 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.254 10.488 6.979 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.367 11.624 5.616 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.210 11.824 6.622 1.00 0.00 C ATOM 791 CZ PHE A 52 1.267 12.391 5.942 1.00 0.00 C ATOM 0 H PHE A 52 3.995 8.114 6.533 1.00 0.00 H new ATOM 0 HA PHE A 52 2.324 8.310 8.968 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.487 7.654 6.123 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.437 7.977 7.488 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.269 9.693 5.710 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.577 10.050 7.513 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.196 12.067 5.084 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.652 12.423 6.876 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.234 13.434 5.665 1.00 0.00 H new ATOM 801 N THR A 53 1.907 5.779 9.116 1.00 0.00 N ATOM 802 CA THR A 53 1.906 4.327 9.292 1.00 0.00 C ATOM 803 C THR A 53 0.497 3.756 9.270 1.00 0.00 C ATOM 804 O THR A 53 -0.234 3.822 10.258 1.00 0.00 O ATOM 805 CB THR A 53 2.623 3.920 10.578 1.00 0.00 C ATOM 806 OG1 THR A 53 2.327 4.815 11.633 1.00 0.00 O ATOM 807 CG2 THR A 53 4.124 3.834 10.427 1.00 0.00 C ATOM 0 H THR A 53 1.362 6.295 9.807 1.00 0.00 H new ATOM 0 HA THR A 53 2.452 3.908 8.447 1.00 0.00 H new ATOM 0 HB THR A 53 2.250 2.922 10.810 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.644 4.421 12.215 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.569 3.540 11.378 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.371 3.093 9.666 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.516 4.806 10.128 1.00 0.00 H new ATOM 815 N VAL A 54 0.136 3.175 8.131 1.00 0.00 N ATOM 816 CA VAL A 54 -1.173 2.566 7.961 1.00 0.00 C ATOM 817 C VAL A 54 -1.167 1.154 8.533 1.00 0.00 C ATOM 818 O VAL A 54 -0.438 0.285 8.053 1.00 0.00 O ATOM 819 CB VAL A 54 -1.574 2.507 6.473 1.00 0.00 C ATOM 820 CG1 VAL A 54 -2.938 1.853 6.307 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.562 3.901 5.863 1.00 0.00 C ATOM 0 H VAL A 54 0.737 3.114 7.309 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.899 3.181 8.493 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.843 1.896 5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.200 1.822 5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.905 0.838 6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.687 2.430 6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.847 3.841 4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.269 4.537 6.395 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.561 4.325 5.943 1.00 0.00 H new ATOM 831 N THR A 55 -1.974 0.927 9.564 1.00 0.00 N ATOM 832 CA THR A 55 -2.037 -0.385 10.189 1.00 0.00 C ATOM 833 C THR A 55 -3.392 -1.038 9.949 1.00 0.00 C ATOM 834 O THR A 55 -4.431 -0.484 10.305 1.00 0.00 O ATOM 835 CB THR A 55 -1.753 -0.280 11.688 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.653 0.580 11.928 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.424 -1.615 12.320 1.00 0.00 C ATOM 0 H THR A 55 -2.587 1.628 9.980 1.00 0.00 H new ATOM 0 HA THR A 55 -1.271 -1.013 9.734 1.00 0.00 H new ATOM 0 HB THR A 55 -2.668 0.110 12.133 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.486 0.637 12.892 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.232 -1.476 13.384 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.264 -2.297 12.189 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.538 -2.035 11.843 1.00 0.00 H new ATOM 845 N GLU A 56 -3.372 -2.216 9.330 1.00 0.00 N ATOM 846 CA GLU A 56 -4.606 -2.934 9.030 1.00 0.00 C ATOM 847 C GLU A 56 -5.132 -3.651 10.270 1.00 0.00 C ATOM 848 O GLU A 56 -6.349 -3.924 10.322 1.00 0.00 O ATOM 849 CB GLU A 56 -4.375 -3.934 7.888 1.00 0.00 C ATOM 850 CG GLU A 56 -3.530 -5.140 8.271 1.00 0.00 C ATOM 851 CD GLU A 56 -4.360 -6.327 8.727 1.00 0.00 C ATOM 852 OE1 GLU A 56 -5.070 -6.207 9.746 1.00 0.00 O ATOM 853 OE2 GLU A 56 -4.299 -7.381 8.060 1.00 0.00 O ATOM 854 OXT GLU A 56 -4.321 -3.933 11.178 1.00 0.00 O ATOM 0 H GLU A 56 -2.521 -2.690 9.029 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.357 -2.210 8.714 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.342 -4.283 7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.892 -3.416 7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.922 -5.436 7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.843 -4.857 9.068 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 5.892 18.645 -1.700 1.00 0.00 N ATOM 863 CA MET B 1 6.983 17.940 -0.982 1.00 0.00 C ATOM 864 C MET B 1 6.797 16.425 -1.051 1.00 0.00 C ATOM 865 O MET B 1 5.726 15.938 -1.409 1.00 0.00 O ATOM 866 CB MET B 1 7.002 18.424 0.471 1.00 0.00 C ATOM 867 CG MET B 1 8.138 17.847 1.300 1.00 0.00 C ATOM 868 SD MET B 1 8.461 18.805 2.795 1.00 0.00 S ATOM 869 CE MET B 1 6.867 18.724 3.605 1.00 0.00 C ATOM 0 H1 MET B 1 5.656 19.523 -1.196 1.00 0.00 H new ATOM 0 H2 MET B 1 6.203 18.873 -2.666 1.00 0.00 H new ATOM 0 H3 MET B 1 5.052 18.033 -1.742 1.00 0.00 H new ATOM 0 HA MET B 1 7.938 18.167 -1.457 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.075 19.511 0.480 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.054 18.165 0.942 1.00 0.00 H new ATOM 0 HG2 MET B 1 7.897 16.820 1.576 1.00 0.00 H new ATOM 0 HG3 MET B 1 9.043 17.810 0.694 1.00 0.00 H new ATOM 0 HE1 MET B 1 7.005 18.768 4.685 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.252 19.565 3.283 1.00 0.00 H new ATOM 0 HE3 MET B 1 6.371 17.790 3.340 1.00 0.00 H new ATOM 881 N GLN B 2 7.851 15.691 -0.711 1.00 0.00 N ATOM 882 CA GLN B 2 7.821 14.233 -0.739 1.00 0.00 C ATOM 883 C GLN B 2 7.528 13.662 0.644 1.00 0.00 C ATOM 884 O GLN B 2 8.158 14.045 1.631 1.00 0.00 O ATOM 885 CB GLN B 2 9.163 13.696 -1.245 1.00 0.00 C ATOM 886 CG GLN B 2 9.201 12.182 -1.405 1.00 0.00 C ATOM 887 CD GLN B 2 8.327 11.658 -2.538 1.00 0.00 C ATOM 888 OE1 GLN B 2 7.708 12.554 -3.305 1.00 0.00 O flip ATOM 889 NE2 GLN B 2 8.219 10.448 -2.733 1.00 0.00 N flip ATOM 0 H GLN B 2 8.743 16.085 -0.411 1.00 0.00 H new ATOM 0 HA GLN B 2 7.023 13.922 -1.414 1.00 0.00 H new ATOM 0 HB2 GLN B 2 9.390 14.159 -2.206 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.949 13.998 -0.552 1.00 0.00 H new ATOM 0 HG2 GLN B 2 10.231 11.871 -1.580 1.00 0.00 H new ATOM 0 HG3 GLN B 2 8.883 11.720 -0.471 1.00 0.00 H new ATOM 0 HE21 GLN B 2 8.707 9.788 -2.127 1.00 0.00 H new ATOM 0 HE22 GLN B 2 7.642 10.105 -3.501 1.00 0.00 H new ATOM 898 N TYR B 3 6.578 12.736 0.707 1.00 0.00 N ATOM 899 CA TYR B 3 6.207 12.101 1.967 1.00 0.00 C ATOM 900 C TYR B 3 6.335 10.586 1.859 1.00 0.00 C ATOM 901 O TYR B 3 5.998 9.998 0.831 1.00 0.00 O ATOM 902 CB TYR B 3 4.778 12.476 2.358 1.00 0.00 C ATOM 903 CG TYR B 3 4.592 13.949 2.645 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.527 14.875 1.611 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.480 14.412 3.950 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.358 16.222 1.870 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.310 15.757 4.216 1.00 0.00 C ATOM 908 CZ TYR B 3 4.248 16.658 3.174 1.00 0.00 C ATOM 909 OH TYR B 3 4.080 17.998 3.436 1.00 0.00 O ATOM 0 H TYR B 3 6.050 12.407 -0.101 1.00 0.00 H new ATOM 0 HA TYR B 3 6.887 12.458 2.740 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.102 12.184 1.554 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.490 11.904 3.240 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.610 14.537 0.589 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.527 13.710 4.769 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.312 16.930 1.055 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.226 16.101 5.236 1.00 0.00 H new ATOM 0 HH TYR B 3 4.019 18.137 4.404 1.00 0.00 H new ATOM 919 N LYS B 4 6.824 9.958 2.923 1.00 0.00 N ATOM 920 CA LYS B 4 6.997 8.510 2.935 1.00 0.00 C ATOM 921 C LYS B 4 5.925 7.845 3.790 1.00 0.00 C ATOM 922 O LYS B 4 5.910 7.997 5.010 1.00 0.00 O ATOM 923 CB LYS B 4 8.387 8.141 3.456 1.00 0.00 C ATOM 924 CG LYS B 4 8.642 6.643 3.502 1.00 0.00 C ATOM 925 CD LYS B 4 10.040 6.328 4.012 1.00 0.00 C ATOM 926 CE LYS B 4 11.111 6.915 3.104 1.00 0.00 C ATOM 927 NZ LYS B 4 12.483 6.588 3.579 1.00 0.00 N ATOM 0 H LYS B 4 7.106 10.426 3.784 1.00 0.00 H new ATOM 0 HA LYS B 4 6.898 8.149 1.911 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.140 8.610 2.822 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.512 8.553 4.457 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.903 6.167 4.147 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.514 6.221 2.505 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.159 6.725 5.020 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.169 5.248 4.078 1.00 0.00 H new ATOM 0 HE2 LYS B 4 10.977 6.534 2.092 1.00 0.00 H new ATOM 0 HE3 LYS B 4 10.992 7.997 3.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 13.183 7.006 2.933 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 12.620 6.973 4.535 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 12.606 5.556 3.601 1.00 0.00 H new ATOM 941 N VAL B 5 5.034 7.101 3.145 1.00 0.00 N ATOM 942 CA VAL B 5 3.970 6.411 3.855 1.00 0.00 C ATOM 943 C VAL B 5 4.353 4.958 4.111 1.00 0.00 C ATOM 944 O VAL B 5 4.886 4.278 3.235 1.00 0.00 O ATOM 945 CB VAL B 5 2.634 6.473 3.080 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.527 5.767 3.852 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.252 7.917 2.793 1.00 0.00 C ATOM 0 H VAL B 5 5.029 6.962 2.135 1.00 0.00 H new ATOM 0 HA VAL B 5 3.832 6.920 4.809 1.00 0.00 H new ATOM 0 HB VAL B 5 2.766 5.956 2.129 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.596 5.824 3.287 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.798 4.722 4.002 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.394 6.250 4.820 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.309 7.942 2.247 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.142 8.458 3.733 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.031 8.387 2.193 1.00 0.00 H new ATOM 957 N ILE B 6 4.085 4.496 5.321 1.00 0.00 N ATOM 958 CA ILE B 6 4.399 3.132 5.718 1.00 0.00 C ATOM 959 C ILE B 6 3.125 2.313 5.886 1.00 0.00 C ATOM 960 O ILE B 6 2.219 2.700 6.624 1.00 0.00 O ATOM 961 CB ILE B 6 5.207 3.112 7.031 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.562 3.793 6.831 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.395 1.689 7.532 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.396 3.862 8.091 1.00 0.00 C ATOM 0 H ILE B 6 3.645 5.053 6.054 1.00 0.00 H new ATOM 0 HA ILE B 6 5.004 2.688 4.928 1.00 0.00 H new ATOM 0 HB ILE B 6 4.646 3.664 7.785 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.120 3.255 6.065 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.400 4.804 6.457 1.00 0.00 H new ATOM 0 HG21 ILE B 6 5.968 1.702 8.459 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.421 1.236 7.714 1.00 0.00 H new ATOM 0 HG23 ILE B 6 5.931 1.107 6.782 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.343 4.357 7.874 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.858 4.426 8.853 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.590 2.853 8.455 1.00 0.00 H new ATOM 976 N LEU B 7 3.059 1.188 5.189 1.00 0.00 N ATOM 977 CA LEU B 7 1.890 0.322 5.252 1.00 0.00 C ATOM 978 C LEU B 7 2.186 -0.901 6.119 1.00 0.00 C ATOM 979 O LEU B 7 2.686 -1.916 5.634 1.00 0.00 O ATOM 980 CB LEU B 7 1.485 -0.092 3.833 1.00 0.00 C ATOM 981 CG LEU B 7 1.603 1.019 2.791 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.071 0.549 1.446 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.874 2.270 3.265 1.00 0.00 C ATOM 0 H LEU B 7 3.800 0.853 4.574 1.00 0.00 H new ATOM 0 HA LEU B 7 1.060 0.862 5.708 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.106 -0.932 3.522 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.455 -0.447 3.852 1.00 0.00 H new ATOM 0 HG LEU B 7 2.656 1.269 2.664 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.163 1.354 0.717 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.645 -0.314 1.109 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.022 0.270 1.547 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.967 3.053 2.512 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.180 2.040 3.421 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.313 2.614 4.202 1.00 0.00 H new ATOM 995 N ASN B 8 1.890 -0.782 7.412 1.00 0.00 N ATOM 996 CA ASN B 8 2.141 -1.863 8.364 1.00 0.00 C ATOM 997 C ASN B 8 0.887 -2.681 8.654 1.00 0.00 C ATOM 998 O ASN B 8 -0.010 -2.232 9.362 1.00 0.00 O ATOM 999 CB ASN B 8 2.693 -1.298 9.678 1.00 0.00 C ATOM 1000 CG ASN B 8 4.118 -0.778 9.569 1.00 0.00 C ATOM 1001 OD1 ASN B 8 4.737 -0.923 8.402 1.00 0.00 O flip ATOM 1002 ND2 ASN B 8 4.665 -0.250 10.538 1.00 0.00 N flip ATOM 0 H ASN B 8 1.475 0.053 7.825 1.00 0.00 H new ATOM 0 HA ASN B 8 2.875 -2.525 7.905 1.00 0.00 H new ATOM 0 HB2 ASN B 8 2.045 -0.489 10.016 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.657 -2.075 10.441 1.00 0.00 H new ATOM 0 HD21 ASN B 8 4.160 -0.155 11.419 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.623 0.092 10.459 1.00 0.00 H new ATOM 1009 N GLY B 9 0.836 -3.894 8.118 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.309 -4.750 8.354 1.00 0.00 C ATOM 1011 C GLY B 9 0.044 -5.955 9.200 1.00 0.00 C ATOM 1012 O GLY B 9 1.147 -6.039 9.738 1.00 0.00 O ATOM 0 H GLY B 9 1.563 -4.298 7.527 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -1.093 -4.177 8.849 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.714 -5.085 7.399 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.889 -6.889 9.316 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.661 -8.095 10.101 1.00 0.00 C ATOM 1018 C LYS B 10 0.231 -9.069 9.339 1.00 0.00 C ATOM 1019 O LYS B 10 1.278 -9.489 9.832 1.00 0.00 O ATOM 1020 CB LYS B 10 -1.989 -8.766 10.446 1.00 0.00 C ATOM 1021 CG LYS B 10 -2.905 -7.903 11.299 1.00 0.00 C ATOM 1022 CD LYS B 10 -4.221 -8.608 11.588 1.00 0.00 C ATOM 1023 CE LYS B 10 -5.142 -7.744 12.436 1.00 0.00 C ATOM 1024 NZ LYS B 10 -4.535 -7.413 13.756 1.00 0.00 N ATOM 0 H LYS B 10 -1.809 -6.836 8.878 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.159 -7.810 11.026 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.506 -9.026 9.522 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.789 -9.699 10.973 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -2.407 -7.659 12.238 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -3.100 -6.961 10.787 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -4.716 -8.856 10.649 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -4.026 -9.548 12.104 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -5.370 -6.823 11.900 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -6.087 -8.265 12.591 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -5.264 -7.018 14.384 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -4.141 -8.275 14.183 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -3.776 -6.714 13.624 1.00 0.00 H new ATOM 1038 N THR B 11 -0.199 -9.428 8.134 1.00 0.00 N ATOM 1039 CA THR B 11 0.538 -10.355 7.292 1.00 0.00 C ATOM 1040 C THR B 11 1.202 -9.634 6.126 1.00 0.00 C ATOM 1041 O THR B 11 1.758 -10.268 5.230 1.00 0.00 O ATOM 1042 CB THR B 11 -0.415 -11.422 6.758 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.631 -10.837 6.326 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.759 -12.486 7.772 1.00 0.00 C ATOM 0 H THR B 11 -1.065 -9.085 7.718 1.00 0.00 H new ATOM 0 HA THR B 11 1.319 -10.819 7.894 1.00 0.00 H new ATOM 0 HB THR B 11 0.118 -11.891 5.931 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.299 -11.539 6.182 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.439 -13.210 7.323 1.00 0.00 H new ATOM 0 HG22 THR B 11 0.152 -12.993 8.091 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.238 -12.024 8.635 1.00 0.00 H new ATOM 1052 N LEU B 12 1.130 -8.307 6.132 1.00 0.00 N ATOM 1053 CA LEU B 12 1.713 -7.516 5.061 1.00 0.00 C ATOM 1054 C LEU B 12 2.430 -6.286 5.609 1.00 0.00 C ATOM 1055 O LEU B 12 1.933 -5.612 6.510 1.00 0.00 O ATOM 1056 CB LEU B 12 0.624 -7.108 4.068 1.00 0.00 C ATOM 1057 CG LEU B 12 1.093 -6.244 2.905 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.293 -6.889 2.241 1.00 0.00 C ATOM 1059 CD2 LEU B 12 -0.035 -6.033 1.906 1.00 0.00 C ATOM 0 H LEU B 12 0.675 -7.761 6.864 1.00 0.00 H new ATOM 0 HA LEU B 12 2.455 -8.126 4.546 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.165 -8.011 3.666 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.154 -6.569 4.609 1.00 0.00 H new ATOM 0 HG LEU B 12 1.388 -5.266 3.284 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.626 -6.268 1.409 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.101 -6.988 2.966 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.017 -7.876 1.869 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.320 -5.413 1.082 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.364 -6.998 1.519 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.870 -5.537 2.400 1.00 0.00 H new ATOM 1071 N LYS B 13 3.603 -6.001 5.050 1.00 0.00 N ATOM 1072 CA LYS B 13 4.396 -4.851 5.474 1.00 0.00 C ATOM 1073 C LYS B 13 5.125 -4.238 4.283 1.00 0.00 C ATOM 1074 O LYS B 13 5.554 -4.953 3.379 1.00 0.00 O ATOM 1075 CB LYS B 13 5.403 -5.269 6.546 1.00 0.00 C ATOM 1076 CG LYS B 13 4.755 -5.856 7.789 1.00 0.00 C ATOM 1077 CD LYS B 13 5.786 -6.403 8.771 1.00 0.00 C ATOM 1078 CE LYS B 13 6.697 -5.311 9.316 1.00 0.00 C ATOM 1079 NZ LYS B 13 7.668 -4.821 8.297 1.00 0.00 N ATOM 0 H LYS B 13 4.025 -6.551 4.302 1.00 0.00 H new ATOM 0 HA LYS B 13 3.723 -4.103 5.894 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.089 -6.002 6.123 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.999 -4.402 6.831 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.157 -5.089 8.282 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.073 -6.655 7.498 1.00 0.00 H new ATOM 0 HD2 LYS B 13 5.273 -6.892 9.599 1.00 0.00 H new ATOM 0 HD3 LYS B 13 6.389 -7.164 8.276 1.00 0.00 H new ATOM 0 HE2 LYS B 13 6.090 -4.476 9.666 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.242 -5.693 10.179 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 8.612 -4.745 8.726 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.702 -5.489 7.501 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 7.368 -3.887 7.952 1.00 0.00 H new ATOM 1093 N GLY B 14 5.265 -2.915 4.281 1.00 0.00 N ATOM 1094 CA GLY B 14 5.946 -2.257 3.181 1.00 0.00 C ATOM 1095 C GLY B 14 6.133 -0.769 3.396 1.00 0.00 C ATOM 1096 O GLY B 14 5.772 -0.231 4.443 1.00 0.00 O ATOM 0 H GLY B 14 4.923 -2.293 5.013 1.00 0.00 H new ATOM 0 HA2 GLY B 14 6.921 -2.722 3.037 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.378 -2.416 2.264 1.00 0.00 H new ATOM 1100 N GLU B 15 6.696 -0.104 2.388 1.00 0.00 N ATOM 1101 CA GLU B 15 6.932 1.332 2.446 1.00 0.00 C ATOM 1102 C GLU B 15 6.576 1.982 1.113 1.00 0.00 C ATOM 1103 O GLU B 15 6.865 1.438 0.048 1.00 0.00 O ATOM 1104 CB GLU B 15 8.394 1.634 2.796 1.00 0.00 C ATOM 1105 CG GLU B 15 8.872 0.985 4.087 1.00 0.00 C ATOM 1106 CD GLU B 15 9.458 -0.399 3.873 1.00 0.00 C ATOM 1107 OE1 GLU B 15 8.746 -1.276 3.344 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.635 -0.605 4.239 1.00 0.00 O ATOM 0 H GLU B 15 6.998 -0.543 1.518 1.00 0.00 H new ATOM 0 HA GLU B 15 6.295 1.746 3.228 1.00 0.00 H new ATOM 0 HB2 GLU B 15 9.029 1.298 1.976 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.521 2.714 2.876 1.00 0.00 H new ATOM 0 HG2 GLU B 15 9.623 1.624 4.552 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.037 0.916 4.784 1.00 0.00 H new ATOM 1115 N THR B 16 5.943 3.147 1.184 1.00 0.00 N ATOM 1116 CA THR B 16 5.538 3.872 -0.011 1.00 0.00 C ATOM 1117 C THR B 16 5.806 5.368 0.137 1.00 0.00 C ATOM 1118 O THR B 16 6.092 5.848 1.232 1.00 0.00 O ATOM 1119 CB THR B 16 4.057 3.612 -0.308 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.536 4.620 -1.134 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.191 3.532 0.930 1.00 0.00 C ATOM 0 H THR B 16 5.699 3.610 2.060 1.00 0.00 H new ATOM 0 HA THR B 16 6.132 3.511 -0.850 1.00 0.00 H new ATOM 0 HB THR B 16 4.031 2.640 -0.801 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.688 4.319 -1.522 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.157 3.346 0.639 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.541 2.719 1.567 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.251 4.473 1.477 1.00 0.00 H new ATOM 1129 N THR B 17 5.735 6.098 -0.976 1.00 0.00 N ATOM 1130 CA THR B 17 5.992 7.536 -0.961 1.00 0.00 C ATOM 1131 C THR B 17 5.091 8.302 -1.932 1.00 0.00 C ATOM 1132 O THR B 17 5.090 8.043 -3.135 1.00 0.00 O ATOM 1133 CB THR B 17 7.456 7.804 -1.300 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.792 7.240 -2.555 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.421 7.254 -0.273 1.00 0.00 C ATOM 0 H THR B 17 5.503 5.719 -1.894 1.00 0.00 H new ATOM 0 HA THR B 17 5.767 7.893 0.044 1.00 0.00 H new ATOM 0 HB THR B 17 7.553 8.890 -1.317 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.995 7.210 -3.124 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.443 7.480 -0.577 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.221 7.711 0.696 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.295 6.174 -0.197 1.00 0.00 H new ATOM 1143 N THR B 18 4.340 9.264 -1.397 1.00 0.00 N ATOM 1144 CA THR B 18 3.448 10.094 -2.203 1.00 0.00 C ATOM 1145 C THR B 18 4.022 11.502 -2.350 1.00 0.00 C ATOM 1146 O THR B 18 4.571 12.061 -1.401 1.00 0.00 O ATOM 1147 CB THR B 18 2.063 10.167 -1.557 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.159 10.862 -2.397 1.00 0.00 O ATOM 1149 CG2 THR B 18 2.063 10.857 -0.209 1.00 0.00 C ATOM 0 H THR B 18 4.333 9.488 -0.402 1.00 0.00 H new ATOM 0 HA THR B 18 3.357 9.642 -3.191 1.00 0.00 H new ATOM 0 HB THR B 18 1.755 9.131 -1.413 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.423 10.741 -3.333 1.00 0.00 H new ATOM 0 HG21 THR B 18 1.049 10.873 0.191 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.715 10.316 0.477 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.424 11.879 -0.323 1.00 0.00 H new ATOM 1157 N GLU B 19 3.877 12.074 -3.538 1.00 0.00 N ATOM 1158 CA GLU B 19 4.366 13.423 -3.810 1.00 0.00 C ATOM 1159 C GLU B 19 3.208 14.412 -3.724 1.00 0.00 C ATOM 1160 O GLU B 19 2.332 14.416 -4.587 1.00 0.00 O ATOM 1161 CB GLU B 19 4.995 13.483 -5.205 1.00 0.00 C ATOM 1162 CG GLU B 19 5.617 14.828 -5.544 1.00 0.00 C ATOM 1163 CD GLU B 19 6.851 15.125 -4.717 1.00 0.00 C ATOM 1164 OE1 GLU B 19 6.741 15.150 -3.474 1.00 0.00 O ATOM 1165 OE2 GLU B 19 7.929 15.333 -5.312 1.00 0.00 O ATOM 0 H GLU B 19 3.423 11.624 -4.333 1.00 0.00 H new ATOM 0 HA GLU B 19 5.123 13.684 -3.070 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.760 12.711 -5.281 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.232 13.250 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.880 14.846 -6.602 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.880 15.615 -5.385 1.00 0.00 H new ATOM 1172 N ALA B 20 3.191 15.240 -2.683 1.00 0.00 N ATOM 1173 CA ALA B 20 2.112 16.205 -2.515 1.00 0.00 C ATOM 1174 C ALA B 20 2.616 17.525 -1.935 1.00 0.00 C ATOM 1175 O ALA B 20 3.583 17.558 -1.175 1.00 0.00 O ATOM 1176 CB ALA B 20 1.025 15.619 -1.629 1.00 0.00 C ATOM 0 H ALA B 20 3.903 15.262 -1.953 1.00 0.00 H new ATOM 0 HA ALA B 20 1.699 16.418 -3.501 1.00 0.00 H new ATOM 0 HB1 ALA B 20 0.222 16.347 -1.508 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.629 14.714 -2.090 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.444 15.375 -0.652 1.00 0.00 H new ATOM 1182 N VAL B 21 1.955 18.611 -2.322 1.00 0.00 N ATOM 1183 CA VAL B 21 2.327 19.952 -1.877 1.00 0.00 C ATOM 1184 C VAL B 21 2.473 20.029 -0.357 1.00 0.00 C ATOM 1185 O VAL B 21 3.217 20.862 0.159 1.00 0.00 O ATOM 1186 CB VAL B 21 1.284 20.990 -2.327 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.753 22.400 -2.002 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.990 20.841 -3.811 1.00 0.00 C ATOM 0 H VAL B 21 1.151 18.589 -2.949 1.00 0.00 H new ATOM 0 HA VAL B 21 3.291 20.174 -2.334 1.00 0.00 H new ATOM 0 HB VAL B 21 0.359 20.810 -1.779 1.00 0.00 H new ATOM 0 HG11 VAL B 21 1.001 23.118 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.902 22.495 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.692 22.599 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL B 21 0.250 21.583 -4.112 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.907 20.991 -4.381 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.601 19.842 -4.006 1.00 0.00 H new ATOM 1198 N ASP B 22 1.774 19.152 0.353 1.00 0.00 N ATOM 1199 CA ASP B 22 1.852 19.131 1.814 1.00 0.00 C ATOM 1200 C ASP B 22 1.428 17.777 2.374 1.00 0.00 C ATOM 1201 O ASP B 22 1.018 16.887 1.631 1.00 0.00 O ATOM 1202 CB ASP B 22 1.001 20.250 2.420 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.477 20.093 2.126 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -0.850 19.092 1.483 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.262 20.970 2.543 1.00 0.00 O ATOM 0 H ASP B 22 1.152 18.452 -0.051 1.00 0.00 H new ATOM 0 HA ASP B 22 2.893 19.298 2.090 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.151 20.270 3.499 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.343 21.210 2.033 1.00 0.00 H new ATOM 1210 N ALA B 23 1.546 17.626 3.690 1.00 0.00 N ATOM 1211 CA ALA B 23 1.188 16.377 4.353 1.00 0.00 C ATOM 1212 C ALA B 23 -0.259 15.993 4.082 1.00 0.00 C ATOM 1213 O ALA B 23 -0.560 14.829 3.822 1.00 0.00 O ATOM 1214 CB ALA B 23 1.439 16.481 5.849 1.00 0.00 C ATOM 0 H ALA B 23 1.887 18.354 4.318 1.00 0.00 H new ATOM 0 HA ALA B 23 1.821 15.590 3.942 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.167 15.541 6.330 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.494 16.688 6.027 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.836 17.289 6.264 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.150 16.973 4.132 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.562 16.720 3.878 1.00 0.00 C ATOM 1222 C ALA B 24 -2.753 16.201 2.462 1.00 0.00 C ATOM 1223 O ALA B 24 -3.310 15.125 2.257 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.384 17.978 4.111 1.00 0.00 C ATOM 0 H ALA B 24 -0.923 17.944 4.345 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.912 15.959 4.575 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.435 17.767 3.916 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.265 18.304 5.144 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.041 18.766 3.440 1.00 0.00 H new ATOM 1230 N THR B 25 -2.263 16.958 1.482 1.00 0.00 N ATOM 1231 CA THR B 25 -2.361 16.549 0.092 1.00 0.00 C ATOM 1232 C THR B 25 -1.818 15.134 -0.055 1.00 0.00 C ATOM 1233 O THR B 25 -2.450 14.278 -0.674 1.00 0.00 O ATOM 1234 CB THR B 25 -1.585 17.518 -0.801 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.245 17.650 -0.362 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.194 18.902 -0.855 1.00 0.00 C ATOM 0 H THR B 25 -1.797 17.853 1.629 1.00 0.00 H new ATOM 0 HA THR B 25 -3.406 16.565 -0.218 1.00 0.00 H new ATOM 0 HB THR B 25 -1.627 17.083 -1.799 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.219 17.637 0.618 1.00 0.00 H new ATOM 0 HG21 THR B 25 -1.594 19.538 -1.506 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.209 18.838 -1.246 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.218 19.328 0.148 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.660 14.884 0.554 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.066 13.558 0.520 1.00 0.00 C ATOM 1246 C ALA B 26 -1.038 12.575 1.149 1.00 0.00 C ATOM 1247 O ALA B 26 -1.446 11.595 0.524 1.00 0.00 O ATOM 1248 CB ALA B 26 1.266 13.547 1.253 1.00 0.00 C ATOM 0 H ALA B 26 -0.122 15.579 1.072 1.00 0.00 H new ATOM 0 HA ALA B 26 0.128 13.268 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.694 12.545 1.216 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.949 14.251 0.777 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.112 13.837 2.292 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.428 12.865 2.390 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.378 12.040 3.118 1.00 0.00 C ATOM 1256 C GLU B 27 -3.593 11.722 2.251 1.00 0.00 C ATOM 1257 O GLU B 27 -3.998 10.567 2.131 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.816 12.774 4.385 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.796 11.993 5.237 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.225 12.751 6.479 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -3.757 13.893 6.671 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -5.029 12.200 7.260 1.00 0.00 O ATOM 0 H GLU B 27 -1.094 13.675 2.912 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.897 11.099 3.387 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.934 13.006 4.982 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.270 13.724 4.104 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.676 11.751 4.642 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.341 11.047 5.532 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.159 12.759 1.639 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.320 12.595 0.772 1.00 0.00 C ATOM 1271 C LYS B 28 -4.989 11.680 -0.397 1.00 0.00 C ATOM 1272 O LYS B 28 -5.773 10.798 -0.751 1.00 0.00 O ATOM 1273 CB LYS B 28 -5.796 13.952 0.251 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.311 14.871 1.344 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.440 14.219 2.122 1.00 0.00 C ATOM 1276 CE LYS B 28 -7.986 15.146 3.195 1.00 0.00 C ATOM 1277 NZ LYS B 28 -8.523 16.411 2.618 1.00 0.00 N ATOM 0 H LYS B 28 -3.832 13.721 1.728 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.120 12.142 1.358 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -4.973 14.443 -0.268 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.586 13.794 -0.483 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.497 15.125 2.023 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.661 15.804 0.903 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.242 13.941 1.438 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.081 13.299 2.583 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.775 14.636 3.748 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.196 15.380 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.092 16.905 3.335 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.734 17.020 2.322 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.118 16.191 1.794 1.00 0.00 H new ATOM 1291 N VAL B 29 -3.820 11.890 -0.985 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.376 11.078 -2.107 1.00 0.00 C ATOM 1293 C VAL B 29 -3.408 9.603 -1.746 1.00 0.00 C ATOM 1294 O VAL B 29 -3.813 8.763 -2.549 1.00 0.00 O ATOM 1295 CB VAL B 29 -1.951 11.468 -2.551 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.443 10.527 -3.632 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -1.918 12.911 -3.032 1.00 0.00 C ATOM 0 H VAL B 29 -3.162 12.617 -0.703 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.061 11.262 -2.934 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.289 11.379 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.437 10.823 -3.928 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.423 9.507 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.105 10.575 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -0.905 13.168 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -2.596 13.028 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.229 13.571 -2.223 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.994 9.296 -0.526 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.995 7.923 -0.057 1.00 0.00 C ATOM 1309 C VAL B 30 -4.427 7.389 -0.040 1.00 0.00 C ATOM 1310 O VAL B 30 -4.698 6.303 -0.547 1.00 0.00 O ATOM 1311 CB VAL B 30 -2.373 7.806 1.342 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -2.243 6.347 1.749 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -1.019 8.503 1.389 1.00 0.00 C ATOM 0 H VAL B 30 -2.655 9.977 0.153 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.389 7.329 -0.741 1.00 0.00 H new ATOM 0 HB VAL B 30 -3.034 8.301 2.053 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.800 6.285 2.743 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -3.229 5.883 1.761 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.606 5.825 1.035 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.596 8.408 2.389 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.347 8.042 0.665 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.144 9.558 1.147 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.356 8.179 0.516 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.764 7.780 0.544 1.00 0.00 C ATOM 1325 C LYS B 31 -7.234 7.317 -0.824 1.00 0.00 C ATOM 1326 O LYS B 31 -7.812 6.239 -0.956 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.675 8.908 1.044 1.00 0.00 C ATOM 1328 CG LYS B 31 -7.766 9.033 2.557 1.00 0.00 C ATOM 1329 CD LYS B 31 -6.427 9.274 3.230 1.00 0.00 C ATOM 1330 CE LYS B 31 -6.596 9.254 4.743 1.00 0.00 C ATOM 1331 NZ LYS B 31 -5.348 9.617 5.464 1.00 0.00 N ATOM 0 H LYS B 31 -5.160 9.083 0.945 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.833 6.949 1.246 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.316 9.853 0.637 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.677 8.750 0.646 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -8.440 9.853 2.805 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -8.208 8.123 2.962 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.714 8.508 2.925 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -6.019 10.234 2.914 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -7.389 9.947 5.025 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -6.916 8.260 5.056 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -4.993 8.788 5.983 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -4.630 9.930 4.780 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -5.546 10.387 6.135 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.978 8.125 -1.844 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.377 7.771 -3.199 1.00 0.00 C ATOM 1347 C GLN B 32 -6.630 6.521 -3.638 1.00 0.00 C ATOM 1348 O GLN B 32 -7.189 5.637 -4.288 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.092 8.926 -4.163 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.577 8.673 -5.584 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.092 8.569 -5.708 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.822 8.862 -4.631 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -9.607 8.240 -6.776 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.500 9.022 -1.761 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.449 7.573 -3.213 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.567 9.830 -3.782 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.018 9.114 -4.183 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.224 9.479 -6.227 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.128 7.751 -5.952 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.019 8.023 -7.580 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.622 8.185 -6.857 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.360 6.461 -3.264 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.502 5.331 -3.592 1.00 0.00 C ATOM 1364 C PHE B 33 -5.137 4.017 -3.132 1.00 0.00 C ATOM 1365 O PHE B 33 -5.362 3.110 -3.930 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.136 5.529 -2.924 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.081 4.569 -3.387 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.418 4.792 -4.580 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.745 3.452 -2.631 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.444 3.919 -5.017 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.767 2.578 -3.068 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.119 2.815 -4.264 1.00 0.00 C ATOM 0 H PHE B 33 -4.896 7.193 -2.726 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.375 5.279 -4.673 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.795 6.546 -3.115 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.254 5.429 -1.845 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -1.665 5.658 -5.175 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -2.252 3.266 -1.696 1.00 0.00 H new ATOM 0 HE1 PHE B 33 0.064 4.103 -5.952 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.511 1.712 -2.476 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.644 2.133 -4.609 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.431 3.939 -1.841 1.00 0.00 N ATOM 1383 CA PHE B 34 -6.044 2.744 -1.261 1.00 0.00 C ATOM 1384 C PHE B 34 -7.523 2.653 -1.608 1.00 0.00 C ATOM 1385 O PHE B 34 -8.031 1.570 -1.901 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.814 2.712 0.246 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.356 2.620 0.576 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.549 1.718 -0.099 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.783 3.444 1.528 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.201 1.640 0.167 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.432 3.364 1.804 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.641 2.461 1.118 1.00 0.00 C ATOM 0 H PHE B 34 -5.256 4.689 -1.172 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.565 1.866 -1.695 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.235 3.610 0.699 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.340 1.861 0.678 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.984 1.068 -0.844 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.397 4.156 2.060 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.584 0.935 -0.370 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.994 4.006 2.554 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.584 2.400 1.329 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.206 3.787 -1.604 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.622 3.821 -1.951 1.00 0.00 C ATOM 1404 C ASN B 35 -9.851 3.091 -3.274 1.00 0.00 C ATOM 1405 O ASN B 35 -10.856 2.404 -3.462 1.00 0.00 O ATOM 1406 CB ASN B 35 -10.091 5.270 -2.081 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.525 5.379 -2.561 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.885 4.852 -3.613 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -12.346 6.078 -1.794 1.00 0.00 N ATOM 0 H ASN B 35 -7.806 4.695 -1.365 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.191 3.327 -1.163 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.997 5.766 -1.115 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.438 5.798 -2.776 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -13.321 6.197 -2.067 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -12.003 6.497 -0.930 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.903 3.269 -4.187 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.973 2.655 -5.510 1.00 0.00 C ATOM 1418 C ASP B 36 -8.226 1.323 -5.585 1.00 0.00 C ATOM 1419 O ASP B 36 -8.564 0.474 -6.410 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.431 3.615 -6.570 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.208 4.915 -6.624 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.431 4.866 -6.873 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.594 5.984 -6.419 1.00 0.00 O ATOM 0 H ASP B 36 -8.070 3.838 -4.034 1.00 0.00 H new ATOM 0 HA ASP B 36 -10.025 2.446 -5.704 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.383 3.830 -6.360 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.468 3.132 -7.546 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.234 1.118 -4.721 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.501 -0.147 -4.726 1.00 0.00 C ATOM 1430 C ASN B 37 -7.327 -1.206 -4.016 1.00 0.00 C ATOM 1431 O ASN B 37 -7.485 -2.322 -4.509 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.134 -0.017 -4.043 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.171 0.875 -4.805 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -4.116 0.840 -6.033 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.380 1.652 -4.074 1.00 0.00 N ATOM 0 H ASN B 37 -6.924 1.794 -4.023 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.327 -0.433 -5.763 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.273 0.383 -3.038 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.693 -1.008 -3.934 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.692 2.252 -4.529 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.460 1.649 -3.057 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.853 -0.816 -2.855 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.685 -1.677 -2.028 1.00 0.00 C ATOM 1444 C GLY B 38 -8.981 -3.054 -2.597 1.00 0.00 C ATOM 1445 O GLY B 38 -8.082 -3.873 -2.782 1.00 0.00 O ATOM 0 H GLY B 38 -7.710 0.115 -2.463 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.198 -1.801 -1.061 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.632 -1.169 -1.845 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.267 -3.325 -2.786 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.723 -4.636 -3.241 1.00 0.00 C ATOM 1451 C VAL B 39 -10.655 -4.861 -4.751 1.00 0.00 C ATOM 1452 O VAL B 39 -10.075 -5.851 -5.199 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.160 -4.901 -2.751 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.680 -6.233 -3.274 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -12.215 -4.863 -1.235 1.00 0.00 C ATOM 0 H VAL B 39 -11.017 -2.651 -2.631 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.019 -5.343 -2.802 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.804 -4.114 -3.143 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.696 -6.394 -2.913 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.680 -6.221 -4.364 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -12.037 -7.039 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -13.236 -5.052 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.554 -5.628 -0.828 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.895 -3.882 -0.884 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.278 -3.998 -5.540 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.304 -4.189 -6.992 1.00 0.00 C ATOM 1467 C ASP B 40 -10.209 -3.420 -7.727 1.00 0.00 C ATOM 1468 O ASP B 40 -10.386 -3.050 -8.888 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.671 -3.783 -7.545 1.00 0.00 C ATOM 1470 CG ASP B 40 -13.800 -4.610 -6.959 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -13.783 -5.846 -7.132 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.698 -4.019 -6.323 1.00 0.00 O ATOM 0 H ASP B 40 -11.768 -3.167 -5.210 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.117 -5.249 -7.167 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.848 -2.729 -7.332 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -12.669 -3.893 -8.629 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.082 -3.186 -7.069 1.00 0.00 N ATOM 1478 CA GLY B 41 -7.999 -2.470 -7.720 1.00 0.00 C ATOM 1479 C GLY B 41 -7.397 -3.256 -8.875 1.00 0.00 C ATOM 1480 O GLY B 41 -7.313 -4.482 -8.822 1.00 0.00 O ATOM 0 H GLY B 41 -8.897 -3.474 -6.108 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.369 -1.513 -8.089 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.221 -2.250 -6.989 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.974 -2.545 -9.919 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.370 -3.181 -11.091 1.00 0.00 C ATOM 1486 C GLU B 42 -4.947 -3.632 -10.778 1.00 0.00 C ATOM 1487 O GLU B 42 -4.008 -2.840 -10.842 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.362 -2.216 -12.276 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.747 -1.756 -12.701 1.00 0.00 C ATOM 1490 CD GLU B 42 -8.635 -2.908 -13.131 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -8.266 -3.615 -14.093 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -9.700 -3.101 -12.509 1.00 0.00 O ATOM 0 H GLU B 42 -7.038 -1.529 -9.978 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.966 -4.055 -11.352 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.763 -1.343 -12.018 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.874 -2.699 -13.123 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -8.220 -1.226 -11.874 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.654 -1.046 -13.523 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.794 -4.904 -10.412 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.481 -5.439 -10.063 1.00 0.00 C ATOM 1501 C TRP B 43 -2.947 -6.400 -11.121 1.00 0.00 C ATOM 1502 O TRP B 43 -3.636 -7.334 -11.531 1.00 0.00 O ATOM 1503 CB TRP B 43 -3.540 -6.205 -8.741 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.180 -5.476 -7.600 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -4.843 -4.283 -7.629 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.220 -5.922 -6.247 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.295 -3.966 -6.372 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -4.924 -4.959 -5.504 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.724 -7.049 -5.595 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.146 -5.092 -4.138 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.942 -7.184 -4.242 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.649 -6.211 -3.523 1.00 0.00 C ATOM 0 H TRP B 43 -5.557 -5.578 -10.350 1.00 0.00 H new ATOM 0 HA TRP B 43 -2.818 -4.577 -9.987 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.083 -7.136 -8.905 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -2.524 -6.475 -8.452 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -4.990 -3.678 -8.511 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -5.821 -3.128 -6.125 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -3.178 -7.804 -6.141 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.690 -4.342 -3.583 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -3.562 -8.054 -3.727 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.805 -6.346 -2.463 1.00 0.00 H new ATOM 1523 N THR B 44 -1.698 -6.193 -11.519 1.00 0.00 N ATOM 1524 CA THR B 44 -1.047 -7.071 -12.481 1.00 0.00 C ATOM 1525 C THR B 44 -0.026 -7.934 -11.744 1.00 0.00 C ATOM 1526 O THR B 44 0.661 -7.450 -10.843 1.00 0.00 O ATOM 1527 CB THR B 44 -0.371 -6.260 -13.588 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.572 -5.357 -13.045 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.345 -5.458 -14.424 1.00 0.00 C ATOM 0 H THR B 44 -1.115 -5.423 -11.189 1.00 0.00 H new ATOM 0 HA THR B 44 -1.793 -7.710 -12.953 1.00 0.00 H new ATOM 0 HB THR B 44 0.112 -6.997 -14.229 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.250 -5.855 -12.543 1.00 0.00 H new ATOM 0 HG21 THR B 44 -0.799 -4.907 -15.190 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.057 -6.132 -14.900 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.881 -4.756 -13.785 1.00 0.00 H new ATOM 1537 N TYR B 45 0.060 -9.212 -12.098 1.00 0.00 N ATOM 1538 CA TYR B 45 0.989 -10.116 -11.426 1.00 0.00 C ATOM 1539 C TYR B 45 2.124 -10.551 -12.347 1.00 0.00 C ATOM 1540 O TYR B 45 1.910 -10.839 -13.524 1.00 0.00 O ATOM 1541 CB TYR B 45 0.241 -11.347 -10.906 1.00 0.00 C ATOM 1542 CG TYR B 45 1.112 -12.305 -10.124 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.089 -11.836 -9.253 1.00 0.00 C ATOM 1544 CD2 TYR B 45 0.956 -13.679 -10.255 1.00 0.00 C ATOM 1545 CE1 TYR B 45 2.884 -12.709 -8.537 1.00 0.00 C ATOM 1546 CE2 TYR B 45 1.747 -14.559 -9.540 1.00 0.00 C ATOM 1547 CZ TYR B 45 2.710 -14.069 -8.683 1.00 0.00 C ATOM 1548 OH TYR B 45 3.499 -14.940 -7.970 1.00 0.00 O ATOM 0 H TYR B 45 -0.495 -9.642 -12.838 1.00 0.00 H new ATOM 0 HA TYR B 45 1.428 -9.573 -10.589 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.583 -11.019 -10.272 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -0.199 -11.877 -11.751 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.228 -10.772 -9.134 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.204 -14.066 -10.927 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.639 -12.328 -7.865 1.00 0.00 H new ATOM 0 HE2 TYR B 45 1.611 -15.625 -9.652 1.00 0.00 H new ATOM 0 HH TYR B 45 3.247 -15.862 -8.187 1.00 0.00 H new ATOM 1558 N ASP B 46 3.332 -10.610 -11.791 1.00 0.00 N ATOM 1559 CA ASP B 46 4.506 -11.027 -12.545 1.00 0.00 C ATOM 1560 C ASP B 46 5.181 -12.210 -11.859 1.00 0.00 C ATOM 1561 O ASP B 46 6.149 -12.039 -11.117 1.00 0.00 O ATOM 1562 CB ASP B 46 5.493 -9.866 -12.684 1.00 0.00 C ATOM 1563 CG ASP B 46 6.717 -10.240 -13.497 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.439 -11.172 -13.088 1.00 0.00 O ATOM 1565 OD2 ASP B 46 6.952 -9.599 -14.543 1.00 0.00 O ATOM 0 H ASP B 46 3.521 -10.373 -10.817 1.00 0.00 H new ATOM 0 HA ASP B 46 4.186 -11.333 -13.541 1.00 0.00 H new ATOM 0 HB2 ASP B 46 4.991 -9.021 -13.156 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.805 -9.538 -11.693 1.00 0.00 H new ATOM 1570 N ASP B 47 4.659 -13.410 -12.099 1.00 0.00 N ATOM 1571 CA ASP B 47 5.207 -14.622 -11.494 1.00 0.00 C ATOM 1572 C ASP B 47 6.720 -14.693 -11.667 1.00 0.00 C ATOM 1573 O ASP B 47 7.436 -15.166 -10.783 1.00 0.00 O ATOM 1574 CB ASP B 47 4.553 -15.861 -12.109 1.00 0.00 C ATOM 1575 CG ASP B 47 3.052 -15.889 -11.896 1.00 0.00 C ATOM 1576 OD1 ASP B 47 2.369 -14.950 -12.357 1.00 0.00 O ATOM 1577 OD2 ASP B 47 2.559 -16.851 -11.271 1.00 0.00 O ATOM 0 H ASP B 47 3.857 -13.570 -12.708 1.00 0.00 H new ATOM 0 HA ASP B 47 4.989 -14.591 -10.427 1.00 0.00 H new ATOM 0 HB2 ASP B 47 4.766 -15.888 -13.178 1.00 0.00 H new ATOM 0 HB3 ASP B 47 4.996 -16.756 -11.673 1.00 0.00 H new ATOM 1582 N ALA B 48 7.203 -14.229 -12.815 1.00 0.00 N ATOM 1583 CA ALA B 48 8.632 -14.244 -13.109 1.00 0.00 C ATOM 1584 C ALA B 48 9.441 -13.562 -12.009 1.00 0.00 C ATOM 1585 O ALA B 48 10.585 -13.937 -11.750 1.00 0.00 O ATOM 1586 CB ALA B 48 8.897 -13.579 -14.451 1.00 0.00 C ATOM 0 H ALA B 48 6.625 -13.837 -13.558 1.00 0.00 H new ATOM 0 HA ALA B 48 8.952 -15.285 -13.155 1.00 0.00 H new ATOM 0 HB1 ALA B 48 9.967 -13.596 -14.660 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.365 -14.118 -15.235 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.549 -12.546 -14.420 1.00 0.00 H new ATOM 1592 N THR B 49 8.850 -12.557 -11.371 1.00 0.00 N ATOM 1593 CA THR B 49 9.530 -11.824 -10.306 1.00 0.00 C ATOM 1594 C THR B 49 8.821 -11.989 -8.961 1.00 0.00 C ATOM 1595 O THR B 49 9.158 -11.311 -7.990 1.00 0.00 O ATOM 1596 CB THR B 49 9.623 -10.340 -10.663 1.00 0.00 C ATOM 1597 OG1 THR B 49 8.333 -9.765 -10.773 1.00 0.00 O ATOM 1598 CG2 THR B 49 10.352 -10.083 -11.963 1.00 0.00 C ATOM 0 H THR B 49 7.904 -12.231 -11.571 1.00 0.00 H new ATOM 0 HA THR B 49 10.533 -12.241 -10.210 1.00 0.00 H new ATOM 0 HB THR B 49 10.188 -9.884 -9.850 1.00 0.00 H new ATOM 0 HG1 THR B 49 7.686 -10.458 -11.023 1.00 0.00 H new ATOM 0 HG21 THR B 49 10.383 -9.011 -12.157 1.00 0.00 H new ATOM 0 HG22 THR B 49 11.369 -10.468 -11.892 1.00 0.00 H new ATOM 0 HG23 THR B 49 9.830 -10.585 -12.778 1.00 0.00 H new ATOM 1606 N LYS B 50 7.840 -12.889 -8.904 1.00 0.00 N ATOM 1607 CA LYS B 50 7.101 -13.124 -7.664 1.00 0.00 C ATOM 1608 C LYS B 50 6.638 -11.804 -7.054 1.00 0.00 C ATOM 1609 O LYS B 50 6.646 -11.635 -5.832 1.00 0.00 O ATOM 1610 CB LYS B 50 7.993 -13.859 -6.659 1.00 0.00 C ATOM 1611 CG LYS B 50 8.301 -15.297 -7.040 1.00 0.00 C ATOM 1612 CD LYS B 50 7.104 -16.207 -6.813 1.00 0.00 C ATOM 1613 CE LYS B 50 6.654 -16.177 -5.361 1.00 0.00 C ATOM 1614 NZ LYS B 50 7.784 -16.443 -4.428 1.00 0.00 N ATOM 0 H LYS B 50 7.541 -13.462 -9.693 1.00 0.00 H new ATOM 0 HA LYS B 50 6.227 -13.732 -7.896 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.931 -13.313 -6.554 1.00 0.00 H new ATOM 0 HB3 LYS B 50 7.508 -13.849 -5.683 1.00 0.00 H new ATOM 0 HG2 LYS B 50 8.598 -15.340 -8.088 1.00 0.00 H new ATOM 0 HG3 LYS B 50 9.147 -15.656 -6.454 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.281 -15.897 -7.457 1.00 0.00 H new ATOM 0 HD3 LYS B 50 7.362 -17.228 -7.095 1.00 0.00 H new ATOM 0 HE2 LYS B 50 6.217 -15.204 -5.135 1.00 0.00 H new ATOM 0 HE3 LYS B 50 5.872 -16.921 -5.207 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 7.435 -16.431 -3.448 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 8.196 -17.375 -4.638 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 8.511 -15.709 -4.545 1.00 0.00 H new ATOM 1628 N THR B 51 6.255 -10.859 -7.909 1.00 0.00 N ATOM 1629 CA THR B 51 5.821 -9.551 -7.439 1.00 0.00 C ATOM 1630 C THR B 51 4.530 -9.103 -8.118 1.00 0.00 C ATOM 1631 O THR B 51 4.301 -9.380 -9.296 1.00 0.00 O ATOM 1632 CB THR B 51 6.927 -8.523 -7.692 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.111 -8.880 -7.002 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.557 -7.117 -7.270 1.00 0.00 C ATOM 0 H THR B 51 6.237 -10.975 -8.922 1.00 0.00 H new ATOM 0 HA THR B 51 5.621 -9.627 -6.370 1.00 0.00 H new ATOM 0 HB THR B 51 7.079 -8.529 -8.771 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.464 -9.717 -7.370 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.388 -6.444 -7.479 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.677 -6.790 -7.824 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.339 -7.103 -6.202 1.00 0.00 H new ATOM 1642 N PHE B 52 3.703 -8.390 -7.362 1.00 0.00 N ATOM 1643 CA PHE B 52 2.442 -7.869 -7.872 1.00 0.00 C ATOM 1644 C PHE B 52 2.537 -6.350 -7.994 1.00 0.00 C ATOM 1645 O PHE B 52 3.186 -5.709 -7.177 1.00 0.00 O ATOM 1646 CB PHE B 52 1.288 -8.226 -6.924 1.00 0.00 C ATOM 1647 CG PHE B 52 1.211 -9.683 -6.551 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.241 -10.294 -5.848 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.098 -10.440 -6.887 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.163 -11.627 -5.494 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.016 -11.774 -6.532 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.049 -12.368 -5.836 1.00 0.00 C ATOM 0 H PHE B 52 3.886 -8.159 -6.386 1.00 0.00 H new ATOM 0 HA PHE B 52 2.248 -8.314 -8.848 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.388 -7.636 -6.013 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.348 -7.934 -7.391 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.114 -9.720 -5.575 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.714 -9.982 -7.432 1.00 0.00 H new ATOM 0 HE1 PHE B 52 2.973 -12.090 -4.950 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.857 -12.351 -6.800 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.986 -13.410 -5.559 1.00 0.00 H new ATOM 1662 N THR B 53 1.895 -5.772 -9.000 1.00 0.00 N ATOM 1663 CA THR B 53 1.931 -4.321 -9.174 1.00 0.00 C ATOM 1664 C THR B 53 0.537 -3.716 -9.173 1.00 0.00 C ATOM 1665 O THR B 53 -0.181 -3.765 -10.172 1.00 0.00 O ATOM 1666 CB THR B 53 2.676 -3.932 -10.451 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.373 -4.821 -11.510 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.178 -3.883 -10.279 1.00 0.00 C ATOM 0 H THR B 53 1.350 -6.274 -9.700 1.00 0.00 H new ATOM 0 HA THR B 53 2.473 -3.915 -8.320 1.00 0.00 H new ATOM 0 HB THR B 53 2.331 -2.926 -10.689 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.721 -4.404 -12.111 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.643 -3.601 -11.223 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.433 -3.149 -9.515 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.542 -4.864 -9.974 1.00 0.00 H new ATOM 1676 N VAL B 54 0.173 -3.127 -8.040 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.122 -2.484 -7.888 1.00 0.00 C ATOM 1678 C VAL B 54 -1.074 -1.074 -8.460 1.00 0.00 C ATOM 1679 O VAL B 54 -0.331 -0.223 -7.969 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.543 -2.417 -6.406 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.892 -1.731 -6.257 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.573 -3.810 -5.796 1.00 0.00 C ATOM 0 H VAL B 54 0.763 -3.083 -7.209 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.856 -3.080 -8.431 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.804 -1.824 -5.867 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.168 -1.696 -5.203 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.830 -0.716 -6.650 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.647 -2.289 -6.811 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.872 -3.743 -4.750 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.287 -4.429 -6.339 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.581 -4.257 -5.862 1.00 0.00 H new ATOM 1692 N THR B 55 -1.859 -0.828 -9.501 1.00 0.00 N ATOM 1693 CA THR B 55 -1.883 0.485 -10.127 1.00 0.00 C ATOM 1694 C THR B 55 -3.225 1.171 -9.906 1.00 0.00 C ATOM 1695 O THR B 55 -4.272 0.643 -10.278 1.00 0.00 O ATOM 1696 CB THR B 55 -1.580 0.373 -11.621 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.499 -0.513 -11.846 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.210 1.699 -12.249 1.00 0.00 C ATOM 0 H THR B 55 -2.482 -1.515 -9.926 1.00 0.00 H new ATOM 0 HA THR B 55 -1.110 1.095 -9.660 1.00 0.00 H new ATOM 0 HB THR B 55 -2.499 0.006 -12.079 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.320 -0.574 -12.808 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.006 1.555 -13.310 1.00 0.00 H new ATOM 0 HG22 THR B 55 -2.035 2.401 -12.130 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.321 2.098 -11.760 1.00 0.00 H new ATOM 1706 N GLU B 56 -3.186 2.348 -9.287 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.405 3.097 -9.005 1.00 0.00 C ATOM 1708 C GLU B 56 -4.895 3.825 -10.251 1.00 0.00 C ATOM 1709 O GLU B 56 -6.106 4.128 -10.321 1.00 0.00 O ATOM 1710 CB GLU B 56 -4.167 4.089 -7.859 1.00 0.00 C ATOM 1711 CG GLU B 56 -3.288 5.275 -8.231 1.00 0.00 C ATOM 1712 CD GLU B 56 -4.081 6.482 -8.697 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -4.779 6.380 -9.726 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -4.004 7.535 -8.030 1.00 0.00 O ATOM 1715 OXT GLU B 56 -4.066 4.086 -11.148 1.00 0.00 O ATOM 0 H GLU B 56 -2.328 2.801 -8.973 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.178 2.392 -8.700 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -5.130 4.461 -7.510 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.708 3.559 -7.024 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -2.684 5.556 -7.369 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -2.598 4.975 -9.020 1.00 0.00 H new TER 1722 GLU B 56