USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 49 THR OG1 : rot -79:sc= 1.22 USER MOD Set 1.2: B 51 THR OG1 : rot 57:sc= 0.602 USER MOD Set 2.1: B 44 THR OG1 : rot 74:sc= 1.74 USER MOD Set 2.2: B 53 THR OG1 : rot 90:sc= 1.67! USER MOD Set 3.1: A 50 LYS NZ :NH3+ 135:sc= -0.335 (180deg=-0.209) USER MOD Set 3.2: B 1 MET CE :methyl -176:sc= -2.11 (180deg=-1.11) USER MOD Set 3.3: B 3 TYR OH : rot 180:sc= -2.24 USER MOD Set 4.1: A 49 THR OG1 : rot -86:sc= 1.23 USER MOD Set 4.2: A 51 THR OG1 : rot 59:sc= 0.604 USER MOD Set 5.1: A 44 THR OG1 : rot 65:sc= 1.73 USER MOD Set 5.2: A 53 THR OG1 : rot 93:sc= 1.84 USER MOD Set 6.1: A 1 MET CE :methyl -172:sc= -2.14 (180deg=-1.2) USER MOD Set 6.2: A 3 TYR OH : rot 180:sc= -2.09 USER MOD Set 6.3: B 50 LYS NZ :NH3+ 136:sc= -0.413 (180deg=-0.19) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.088) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.1 F(o=-0.92!,f=-0.1) USER MOD Single : A 4 LYS NZ :NH3+ 143:sc= -2.89! (180deg=-5.86!) USER MOD Single : A 8 ASN : amide:sc= -5.46! C(o=-5.5!,f=-11!) USER MOD Single : A 10 LYS NZ :NH3+ 166:sc= -0.231 (180deg=-0.743) USER MOD Single : A 11 THR OG1 : rot -137:sc= -3.22! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 160:sc= -4.84! USER MOD Single : A 17 THR OG1 : rot 28:sc= 0.399 USER MOD Single : A 18 THR OG1 : rot 35:sc= 0.794 USER MOD Single : A 25 THR OG1 : rot -14:sc= 0.756 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= 1.03 (180deg=0.671) USER MOD Single : A 32 GLN :FLIP amide:sc= -3.22! F(o=-4.3,f=-3.2!) USER MOD Single : A 35 ASN : amide:sc= -3.69! C(o=-3.7!,f=-3.7!) USER MOD Single : A 37 ASN : amide:sc= -5.49! X(o=-5.5!,f=-5.1) USER MOD Single : A 45 TYR OH : rot 57:sc= -1.44 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0864) USER MOD Single : B 2 GLN :FLIP amide:sc= -0.0975 F(o=-0.97!,f=-0.097) USER MOD Single : B 4 LYS NZ :NH3+ 141:sc= -2.89! (180deg=-5.91!) USER MOD Single : B 8 ASN : amide:sc= -5.47! C(o=-5.5!,f=-12!) USER MOD Single : B 10 LYS NZ :NH3+ 167:sc= -0.225 (180deg=-0.777) USER MOD Single : B 11 THR OG1 : rot -137:sc= -3.25! USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot -162:sc= -4.77! USER MOD Single : B 17 THR OG1 : rot 31:sc= 0.413 USER MOD Single : B 18 THR OG1 : rot 35:sc= 0.785 USER MOD Single : B 25 THR OG1 : rot -11:sc= 0.852 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 160:sc= 0.952 (180deg=0.823) USER MOD Single : B 32 GLN :FLIP amide:sc= -3.31! F(o=-4.4,f=-3.3!) USER MOD Single : B 35 ASN : amide:sc= -3.59! C(o=-3.6!,f=-3.7!) USER MOD Single : B 37 ASN : amide:sc= -5.55! X(o=-5.6!,f=-5.1) USER MOD Single : B 45 TYR OH : rot 59:sc= -1.47 USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.179 -18.806 1.973 1.00 0.00 N ATOM 2 CA MET A 1 6.724 -17.983 0.862 1.00 0.00 C ATOM 3 C MET A 1 6.445 -16.499 1.070 1.00 0.00 C ATOM 4 O MET A 1 5.334 -16.108 1.429 1.00 0.00 O ATOM 5 CB MET A 1 6.093 -18.448 -0.454 1.00 0.00 C ATOM 6 CG MET A 1 6.595 -19.798 -0.932 1.00 0.00 C ATOM 7 SD MET A 1 5.746 -20.366 -2.417 1.00 0.00 S ATOM 8 CE MET A 1 6.177 -19.064 -3.570 1.00 0.00 C ATOM 0 H1 MET A 1 6.530 -19.781 1.887 1.00 0.00 H new ATOM 0 H2 MET A 1 6.485 -18.407 2.883 1.00 0.00 H new ATOM 0 H3 MET A 1 5.140 -18.807 1.927 1.00 0.00 H new ATOM 0 HA MET A 1 7.806 -18.114 0.834 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.011 -18.497 -0.330 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.292 -17.703 -1.225 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.665 -19.734 -1.131 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.462 -20.533 -0.138 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.613 -19.194 -4.494 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.936 -18.095 -3.132 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.244 -19.109 -3.787 1.00 0.00 H new ATOM 20 N GLN A 2 7.457 -15.679 0.814 1.00 0.00 N ATOM 21 CA GLN A 2 7.326 -14.235 0.941 1.00 0.00 C ATOM 22 C GLN A 2 7.171 -13.619 -0.443 1.00 0.00 C ATOM 23 O GLN A 2 7.815 -14.054 -1.397 1.00 0.00 O ATOM 24 CB GLN A 2 8.545 -13.642 1.650 1.00 0.00 C ATOM 25 CG GLN A 2 8.467 -12.132 1.829 1.00 0.00 C ATOM 26 CD GLN A 2 9.672 -11.537 2.545 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.632 -12.376 2.933 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 9.740 -10.326 2.750 1.00 0.00 N flip ATOM 0 H GLN A 2 8.381 -15.992 0.516 1.00 0.00 H new ATOM 0 HA GLN A 2 6.443 -14.010 1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.651 -14.111 2.628 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.442 -13.887 1.081 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.370 -11.664 0.850 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.565 -11.888 2.390 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.986 -9.713 2.439 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.550 -9.935 3.231 1.00 0.00 H new ATOM 37 N TYR A 3 6.307 -12.621 -0.557 1.00 0.00 N ATOM 38 CA TYR A 3 6.074 -11.975 -1.842 1.00 0.00 C ATOM 39 C TYR A 3 6.302 -10.474 -1.767 1.00 0.00 C ATOM 40 O TYR A 3 6.024 -9.838 -0.750 1.00 0.00 O ATOM 41 CB TYR A 3 4.648 -12.253 -2.322 1.00 0.00 C ATOM 42 CG TYR A 3 4.352 -13.723 -2.520 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.123 -14.558 -1.435 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.301 -14.274 -3.795 1.00 0.00 C ATOM 45 CE1 TYR A 3 3.851 -15.901 -1.613 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.029 -15.616 -3.981 1.00 0.00 C ATOM 47 CZ TYR A 3 3.804 -16.425 -2.887 1.00 0.00 C ATOM 48 OH TYR A 3 3.533 -17.762 -3.067 1.00 0.00 O ATOM 0 H TYR A 3 5.760 -12.243 0.216 1.00 0.00 H new ATOM 0 HA TYR A 3 6.789 -12.391 -2.552 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.943 -11.843 -1.598 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.481 -11.727 -3.262 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.158 -14.151 -0.435 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.477 -13.643 -4.654 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.676 -16.537 -0.758 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.993 -16.029 -4.978 1.00 0.00 H new ATOM 0 HH TYR A 3 3.536 -17.970 -4.025 1.00 0.00 H new ATOM 58 N LYS A 4 6.794 -9.912 -2.865 1.00 0.00 N ATOM 59 CA LYS A 4 7.045 -8.483 -2.950 1.00 0.00 C ATOM 60 C LYS A 4 5.891 -7.805 -3.675 1.00 0.00 C ATOM 61 O LYS A 4 5.768 -7.907 -4.893 1.00 0.00 O ATOM 62 CB LYS A 4 8.360 -8.215 -3.688 1.00 0.00 C ATOM 63 CG LYS A 4 8.661 -6.738 -3.891 1.00 0.00 C ATOM 64 CD LYS A 4 8.874 -6.018 -2.570 1.00 0.00 C ATOM 65 CE LYS A 4 10.056 -6.594 -1.804 1.00 0.00 C ATOM 66 NZ LYS A 4 10.330 -5.841 -0.549 1.00 0.00 N ATOM 0 H LYS A 4 7.027 -10.430 -3.712 1.00 0.00 H new ATOM 0 HA LYS A 4 7.126 -8.076 -1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.178 -8.669 -3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.327 -8.706 -4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.551 -6.630 -4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.838 -6.270 -4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.042 -4.957 -2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.972 -6.096 -1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.858 -7.638 -1.564 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.942 -6.576 -2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.627 -6.504 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.087 -5.149 -0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.468 -5.344 -0.247 1.00 0.00 H new ATOM 80 N VAL A 5 5.044 -7.119 -2.922 1.00 0.00 N ATOM 81 CA VAL A 5 3.901 -6.438 -3.504 1.00 0.00 C ATOM 82 C VAL A 5 4.233 -4.980 -3.797 1.00 0.00 C ATOM 83 O VAL A 5 4.438 -4.175 -2.892 1.00 0.00 O ATOM 84 CB VAL A 5 2.667 -6.523 -2.583 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.479 -5.791 -3.196 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.315 -7.977 -2.303 1.00 0.00 C ATOM 0 H VAL A 5 5.127 -7.020 -1.910 1.00 0.00 H new ATOM 0 HA VAL A 5 3.663 -6.941 -4.441 1.00 0.00 H new ATOM 0 HB VAL A 5 2.911 -6.037 -1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.621 -5.866 -2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.735 -4.742 -3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.230 -6.242 -4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.442 -8.021 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.093 -8.485 -3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.157 -8.468 -1.815 1.00 0.00 H new ATOM 96 N ILE A 6 4.287 -4.661 -5.080 1.00 0.00 N ATOM 97 CA ILE A 6 4.594 -3.314 -5.534 1.00 0.00 C ATOM 98 C ILE A 6 3.311 -2.529 -5.794 1.00 0.00 C ATOM 99 O ILE A 6 2.416 -2.997 -6.494 1.00 0.00 O ATOM 100 CB ILE A 6 5.451 -3.352 -6.819 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.771 -4.080 -6.553 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.719 -1.951 -7.343 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.657 -4.188 -7.775 1.00 0.00 C ATOM 0 H ILE A 6 4.120 -5.327 -5.835 1.00 0.00 H new ATOM 0 HA ILE A 6 5.161 -2.816 -4.747 1.00 0.00 H new ATOM 0 HB ILE A 6 4.893 -3.895 -7.581 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.313 -3.556 -5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.556 -5.081 -6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.324 -2.010 -8.248 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.773 -1.461 -7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.253 -1.376 -6.587 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.575 -4.715 -7.514 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.133 -4.738 -8.557 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.902 -3.189 -8.136 1.00 0.00 H new ATOM 115 N LEU A 7 3.225 -1.338 -5.215 1.00 0.00 N ATOM 116 CA LEU A 7 2.048 -0.491 -5.376 1.00 0.00 C ATOM 117 C LEU A 7 2.389 0.725 -6.236 1.00 0.00 C ATOM 118 O LEU A 7 3.072 1.642 -5.780 1.00 0.00 O ATOM 119 CB LEU A 7 1.540 -0.046 -4.002 1.00 0.00 C ATOM 120 CG LEU A 7 1.524 -1.141 -2.940 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.026 -0.581 -1.615 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.659 -2.306 -3.396 1.00 0.00 C ATOM 0 H LEU A 7 3.957 -0.936 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 7 1.264 -1.059 -5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.164 0.775 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.529 0.347 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 7 2.540 -1.508 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.019 -1.372 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.686 0.223 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.016 -0.192 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.657 -3.080 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.360 -1.958 -3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.060 -2.716 -4.323 1.00 0.00 H new ATOM 134 N ASN A 8 1.935 0.721 -7.491 1.00 0.00 N ATOM 135 CA ASN A 8 2.228 1.820 -8.410 1.00 0.00 C ATOM 136 C ASN A 8 0.995 2.669 -8.711 1.00 0.00 C ATOM 137 O ASN A 8 0.092 2.240 -9.424 1.00 0.00 O ATOM 138 CB ASN A 8 2.791 1.272 -9.722 1.00 0.00 C ATOM 139 CG ASN A 8 4.034 0.434 -9.517 1.00 0.00 C ATOM 140 OD1 ASN A 8 3.993 -0.596 -8.848 1.00 0.00 O ATOM 141 ND2 ASN A 8 5.146 0.872 -10.093 1.00 0.00 N ATOM 0 H ASN A 8 1.367 -0.026 -7.891 1.00 0.00 H new ATOM 0 HA ASN A 8 2.964 2.457 -7.919 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.029 0.670 -10.217 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.023 2.103 -10.388 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.015 0.348 -9.989 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.132 1.733 -10.640 1.00 0.00 H new ATOM 148 N GLY A 9 0.970 3.886 -8.184 1.00 0.00 N ATOM 149 CA GLY A 9 -0.149 4.773 -8.436 1.00 0.00 C ATOM 150 C GLY A 9 0.259 5.971 -9.259 1.00 0.00 C ATOM 151 O GLY A 9 1.381 6.033 -9.763 1.00 0.00 O ATOM 0 H GLY A 9 1.702 4.274 -7.589 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.936 4.226 -8.955 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.567 5.109 -7.487 1.00 0.00 H new ATOM 155 N LYS A 10 -0.644 6.927 -9.392 1.00 0.00 N ATOM 156 CA LYS A 10 -0.362 8.129 -10.155 1.00 0.00 C ATOM 157 C LYS A 10 0.516 9.076 -9.345 1.00 0.00 C ATOM 158 O LYS A 10 1.557 9.536 -9.818 1.00 0.00 O ATOM 159 CB LYS A 10 -1.663 8.831 -10.551 1.00 0.00 C ATOM 160 CG LYS A 10 -2.580 7.977 -11.407 1.00 0.00 C ATOM 161 CD LYS A 10 -3.845 8.729 -11.788 1.00 0.00 C ATOM 162 CE LYS A 10 -4.760 7.879 -12.654 1.00 0.00 C ATOM 163 NZ LYS A 10 -5.184 6.634 -11.958 1.00 0.00 N ATOM 0 H LYS A 10 -1.577 6.894 -8.982 1.00 0.00 H new ATOM 0 HA LYS A 10 0.170 7.843 -11.062 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.196 9.127 -9.647 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.422 9.745 -11.093 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.053 7.668 -12.310 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.844 7.069 -10.865 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.375 9.032 -10.885 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.580 9.641 -12.323 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.641 8.459 -12.929 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.246 7.620 -13.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.980 6.204 -12.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.389 5.965 -11.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.480 6.862 -10.988 1.00 0.00 H new ATOM 177 N THR A 11 0.079 9.371 -8.125 1.00 0.00 N ATOM 178 CA THR A 11 0.794 10.269 -7.237 1.00 0.00 C ATOM 179 C THR A 11 1.449 9.512 -6.088 1.00 0.00 C ATOM 180 O THR A 11 2.007 10.121 -5.175 1.00 0.00 O ATOM 181 CB THR A 11 -0.185 11.293 -6.673 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.391 10.660 -6.290 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.533 12.396 -7.644 1.00 0.00 C ATOM 0 H THR A 11 -0.781 8.992 -7.728 1.00 0.00 H new ATOM 0 HA THR A 11 1.580 10.764 -7.808 1.00 0.00 H new ATOM 0 HB THR A 11 0.323 11.740 -5.818 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.153 11.205 -6.579 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.233 13.087 -7.174 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.373 12.933 -7.925 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.990 11.966 -8.535 1.00 0.00 H new ATOM 191 N LEU A 12 1.370 8.186 -6.123 1.00 0.00 N ATOM 192 CA LEU A 12 1.951 7.378 -5.065 1.00 0.00 C ATOM 193 C LEU A 12 2.682 6.164 -5.623 1.00 0.00 C ATOM 194 O LEU A 12 2.200 5.497 -6.540 1.00 0.00 O ATOM 195 CB LEU A 12 0.863 6.939 -4.082 1.00 0.00 C ATOM 196 CG LEU A 12 1.355 6.093 -2.913 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.532 6.773 -2.241 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.231 5.851 -1.914 1.00 0.00 C ATOM 0 H LEU A 12 0.914 7.656 -6.865 1.00 0.00 H new ATOM 0 HA LEU A 12 2.684 7.991 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.372 7.828 -3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.108 6.374 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 12 1.681 5.125 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.877 6.162 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.341 6.895 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.225 7.751 -1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.603 5.245 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.127 6.807 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.588 5.328 -2.407 1.00 0.00 H new ATOM 210 N LYS A 13 3.845 5.879 -5.046 1.00 0.00 N ATOM 211 CA LYS A 13 4.656 4.742 -5.461 1.00 0.00 C ATOM 212 C LYS A 13 5.339 4.120 -4.247 1.00 0.00 C ATOM 213 O LYS A 13 5.750 4.832 -3.334 1.00 0.00 O ATOM 214 CB LYS A 13 5.710 5.168 -6.487 1.00 0.00 C ATOM 215 CG LYS A 13 5.143 5.953 -7.661 1.00 0.00 C ATOM 216 CD LYS A 13 5.032 7.441 -7.352 1.00 0.00 C ATOM 217 CE LYS A 13 6.399 8.075 -7.145 1.00 0.00 C ATOM 218 NZ LYS A 13 6.297 9.537 -6.875 1.00 0.00 N ATOM 0 H LYS A 13 4.248 6.425 -4.284 1.00 0.00 H new ATOM 0 HA LYS A 13 4.000 4.006 -5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.465 5.775 -5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.214 4.279 -6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.780 5.810 -8.534 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.159 5.561 -7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.517 7.945 -8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.426 7.583 -6.457 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.904 7.586 -6.312 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.013 7.911 -8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.249 9.932 -6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.838 10.008 -7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.732 9.693 -6.016 1.00 0.00 H new ATOM 232 N GLY A 14 5.459 2.797 -4.236 1.00 0.00 N ATOM 233 CA GLY A 14 6.094 2.136 -3.112 1.00 0.00 C ATOM 234 C GLY A 14 6.247 0.640 -3.296 1.00 0.00 C ATOM 235 O GLY A 14 5.898 0.092 -4.342 1.00 0.00 O ATOM 0 H GLY A 14 5.132 2.177 -4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.078 2.576 -2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.509 2.325 -2.212 1.00 0.00 H new ATOM 239 N GLU A 15 6.763 -0.020 -2.262 1.00 0.00 N ATOM 240 CA GLU A 15 6.962 -1.464 -2.283 1.00 0.00 C ATOM 241 C GLU A 15 6.579 -2.066 -0.936 1.00 0.00 C ATOM 242 O GLU A 15 6.909 -1.519 0.116 1.00 0.00 O ATOM 243 CB GLU A 15 8.421 -1.813 -2.606 1.00 0.00 C ATOM 244 CG GLU A 15 8.891 -1.350 -3.980 1.00 0.00 C ATOM 245 CD GLU A 15 8.989 0.158 -4.096 1.00 0.00 C ATOM 246 OE1 GLU A 15 9.708 0.772 -3.281 1.00 0.00 O ATOM 247 OE2 GLU A 15 8.352 0.725 -5.009 1.00 0.00 O ATOM 0 H GLU A 15 7.053 0.428 -1.393 1.00 0.00 H new ATOM 0 HA GLU A 15 6.324 -1.881 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.065 -1.369 -1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.547 -2.894 -2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.866 -1.789 -4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.202 -1.723 -4.738 1.00 0.00 H new ATOM 254 N THR A 16 5.878 -3.193 -0.976 1.00 0.00 N ATOM 255 CA THR A 16 5.446 -3.871 0.239 1.00 0.00 C ATOM 256 C THR A 16 5.651 -5.381 0.125 1.00 0.00 C ATOM 257 O THR A 16 5.937 -5.889 -0.955 1.00 0.00 O ATOM 258 CB THR A 16 3.985 -3.526 0.545 1.00 0.00 C ATOM 259 OG1 THR A 16 3.412 -4.493 1.389 1.00 0.00 O ATOM 260 CG2 THR A 16 3.109 -3.400 -0.684 1.00 0.00 C ATOM 0 H THR A 16 5.596 -3.657 -1.839 1.00 0.00 H new ATOM 0 HA THR A 16 6.059 -3.522 1.070 1.00 0.00 H new ATOM 0 HB THR A 16 4.023 -2.550 1.028 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.621 -4.117 1.828 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.091 -3.155 -0.382 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.497 -2.610 -1.328 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.108 -4.344 -1.228 1.00 0.00 H new ATOM 268 N THR A 17 5.538 -6.096 1.248 1.00 0.00 N ATOM 269 CA THR A 17 5.750 -7.544 1.244 1.00 0.00 C ATOM 270 C THR A 17 4.820 -8.295 2.197 1.00 0.00 C ATOM 271 O THR A 17 4.850 -8.087 3.412 1.00 0.00 O ATOM 272 CB THR A 17 7.199 -7.858 1.612 1.00 0.00 C ATOM 273 OG1 THR A 17 7.515 -7.337 2.891 1.00 0.00 O ATOM 274 CG2 THR A 17 8.200 -7.302 0.627 1.00 0.00 C ATOM 0 H THR A 17 5.304 -5.702 2.159 1.00 0.00 H new ATOM 0 HA THR A 17 5.522 -7.885 0.234 1.00 0.00 H new ATOM 0 HB THR A 17 7.271 -8.946 1.601 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.703 -7.297 3.438 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.209 -7.561 0.948 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.013 -7.726 -0.360 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.101 -6.217 0.581 1.00 0.00 H new ATOM 282 N THR A 18 4.019 -9.196 1.633 1.00 0.00 N ATOM 283 CA THR A 18 3.098 -10.023 2.412 1.00 0.00 C ATOM 284 C THR A 18 3.616 -11.462 2.457 1.00 0.00 C ATOM 285 O THR A 18 4.199 -11.947 1.488 1.00 0.00 O ATOM 286 CB THR A 18 1.698 -9.995 1.792 1.00 0.00 C ATOM 287 OG1 THR A 18 0.778 -10.685 2.615 1.00 0.00 O ATOM 288 CG2 THR A 18 1.634 -10.613 0.410 1.00 0.00 C ATOM 0 H THR A 18 3.989 -9.374 0.629 1.00 0.00 H new ATOM 0 HA THR A 18 3.038 -9.625 3.425 1.00 0.00 H new ATOM 0 HB THR A 18 1.442 -8.939 1.706 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.014 -10.547 3.556 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.613 -10.558 0.034 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.298 -10.070 -0.262 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.945 -11.656 0.463 1.00 0.00 H new ATOM 296 N GLU A 19 3.399 -12.143 3.576 1.00 0.00 N ATOM 297 CA GLU A 19 3.845 -13.525 3.723 1.00 0.00 C ATOM 298 C GLU A 19 2.655 -14.475 3.636 1.00 0.00 C ATOM 299 O GLU A 19 1.752 -14.422 4.471 1.00 0.00 O ATOM 300 CB GLU A 19 4.569 -13.713 5.059 1.00 0.00 C ATOM 301 CG GLU A 19 5.075 -15.130 5.287 1.00 0.00 C ATOM 302 CD GLU A 19 5.791 -15.287 6.612 1.00 0.00 C ATOM 303 OE1 GLU A 19 5.156 -15.049 7.661 1.00 0.00 O ATOM 304 OE2 GLU A 19 6.986 -15.647 6.603 1.00 0.00 O ATOM 0 H GLU A 19 2.919 -11.764 4.392 1.00 0.00 H new ATOM 0 HA GLU A 19 4.539 -13.753 2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.412 -13.024 5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.892 -13.444 5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.234 -15.823 5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.752 -15.405 4.478 1.00 0.00 H new ATOM 311 N ALA A 20 2.645 -15.335 2.620 1.00 0.00 N ATOM 312 CA ALA A 20 1.544 -16.272 2.442 1.00 0.00 C ATOM 313 C ALA A 20 2.005 -17.576 1.789 1.00 0.00 C ATOM 314 O ALA A 20 2.990 -17.609 1.053 1.00 0.00 O ATOM 315 CB ALA A 20 0.441 -15.626 1.619 1.00 0.00 C ATOM 0 H ALA A 20 3.380 -15.401 1.915 1.00 0.00 H new ATOM 0 HA ALA A 20 1.157 -16.524 3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.379 -16.333 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.076 -14.737 2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.834 -15.344 0.642 1.00 0.00 H new ATOM 321 N VAL A 21 1.282 -18.649 2.095 1.00 0.00 N ATOM 322 CA VAL A 21 1.598 -19.982 1.578 1.00 0.00 C ATOM 323 C VAL A 21 1.768 -19.982 0.059 1.00 0.00 C ATOM 324 O VAL A 21 2.627 -20.682 -0.476 1.00 0.00 O ATOM 325 CB VAL A 21 0.495 -20.989 1.948 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.921 -22.406 1.592 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.141 -20.879 3.424 1.00 0.00 C ATOM 0 H VAL A 21 0.465 -18.623 2.705 1.00 0.00 H new ATOM 0 HA VAL A 21 2.542 -20.276 2.038 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.397 -20.750 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.127 -23.103 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.112 -22.470 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.829 -22.661 2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.641 -21.599 3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.025 -21.087 4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.215 -19.871 3.639 1.00 0.00 H new ATOM 337 N ASP A 22 0.948 -19.198 -0.631 1.00 0.00 N ATOM 338 CA ASP A 22 1.023 -19.121 -2.088 1.00 0.00 C ATOM 339 C ASP A 22 0.727 -17.714 -2.591 1.00 0.00 C ATOM 340 O ASP A 22 0.301 -16.847 -1.827 1.00 0.00 O ATOM 341 CB ASP A 22 0.064 -20.126 -2.730 1.00 0.00 C ATOM 342 CG ASP A 22 -1.332 -20.049 -2.151 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.490 -20.354 -0.951 1.00 0.00 O ATOM 344 OD2 ASP A 22 -2.266 -19.684 -2.895 1.00 0.00 O ATOM 0 H ASP A 22 0.228 -18.610 -0.211 1.00 0.00 H new ATOM 0 HA ASP A 22 2.043 -19.372 -2.378 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.019 -19.944 -3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.455 -21.134 -2.593 1.00 0.00 H new ATOM 349 N ALA A 23 0.961 -17.495 -3.883 1.00 0.00 N ATOM 350 CA ALA A 23 0.726 -16.193 -4.492 1.00 0.00 C ATOM 351 C ALA A 23 -0.722 -15.763 -4.324 1.00 0.00 C ATOM 352 O ALA A 23 -1.001 -14.605 -4.019 1.00 0.00 O ATOM 353 CB ALA A 23 1.109 -16.218 -5.962 1.00 0.00 C ATOM 0 H ALA A 23 1.313 -18.204 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 23 1.354 -15.463 -3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.927 -15.237 -6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.165 -16.469 -6.059 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.510 -16.966 -6.482 1.00 0.00 H new ATOM 359 N ALA A 24 -1.641 -16.699 -4.513 1.00 0.00 N ATOM 360 CA ALA A 24 -3.058 -16.403 -4.367 1.00 0.00 C ATOM 361 C ALA A 24 -3.356 -15.996 -2.933 1.00 0.00 C ATOM 362 O ALA A 24 -3.867 -14.904 -2.684 1.00 0.00 O ATOM 363 CB ALA A 24 -3.904 -17.599 -4.779 1.00 0.00 C ATOM 0 H ALA A 24 -1.432 -17.665 -4.766 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.313 -15.573 -5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.960 -17.355 -4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.702 -17.846 -5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.657 -18.454 -4.149 1.00 0.00 H new ATOM 369 N THR A 25 -3.002 -16.861 -1.983 1.00 0.00 N ATOM 370 CA THR A 25 -3.208 -16.553 -0.580 1.00 0.00 C ATOM 371 C THR A 25 -2.581 -15.202 -0.273 1.00 0.00 C ATOM 372 O THR A 25 -3.189 -14.358 0.384 1.00 0.00 O ATOM 373 CB THR A 25 -2.607 -17.646 0.301 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.271 -17.915 -0.077 1.00 0.00 O ATOM 375 CG2 THR A 25 -3.382 -18.946 0.249 1.00 0.00 C ATOM 0 H THR A 25 -2.576 -17.770 -2.163 1.00 0.00 H new ATOM 0 HA THR A 25 -4.276 -16.508 -0.368 1.00 0.00 H new ATOM 0 HB THR A 25 -2.653 -17.260 1.319 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.092 -17.516 -0.954 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.904 -19.681 0.896 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.404 -18.774 0.588 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.397 -19.320 -0.775 1.00 0.00 H new ATOM 383 N ALA A 26 -1.372 -14.993 -0.791 1.00 0.00 N ATOM 384 CA ALA A 26 -0.682 -13.730 -0.605 1.00 0.00 C ATOM 385 C ALA A 26 -1.510 -12.611 -1.218 1.00 0.00 C ATOM 386 O ALA A 26 -1.819 -11.618 -0.559 1.00 0.00 O ATOM 387 CB ALA A 26 0.704 -13.779 -1.232 1.00 0.00 C ATOM 0 H ALA A 26 -0.857 -15.682 -1.339 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.559 -13.541 0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.205 -12.823 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.287 -14.572 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.613 -13.977 -2.300 1.00 0.00 H new ATOM 393 N GLU A 27 -1.888 -12.788 -2.486 1.00 0.00 N ATOM 394 CA GLU A 27 -2.703 -11.807 -3.188 1.00 0.00 C ATOM 395 C GLU A 27 -3.925 -11.441 -2.356 1.00 0.00 C ATOM 396 O GLU A 27 -4.234 -10.265 -2.168 1.00 0.00 O ATOM 397 CB GLU A 27 -3.144 -12.353 -4.548 1.00 0.00 C ATOM 398 CG GLU A 27 -4.001 -11.383 -5.346 1.00 0.00 C ATOM 399 CD GLU A 27 -4.430 -11.947 -6.687 1.00 0.00 C ATOM 400 OE1 GLU A 27 -5.109 -12.996 -6.699 1.00 0.00 O ATOM 401 OE2 GLU A 27 -4.090 -11.338 -7.723 1.00 0.00 O ATOM 0 H GLU A 27 -1.640 -13.605 -3.044 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.102 -10.912 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.259 -12.608 -5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.702 -13.277 -4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.886 -11.125 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.444 -10.460 -5.506 1.00 0.00 H new ATOM 408 N LYS A 28 -4.606 -12.463 -1.845 1.00 0.00 N ATOM 409 CA LYS A 28 -5.785 -12.253 -1.018 1.00 0.00 C ATOM 410 C LYS A 28 -5.407 -11.501 0.248 1.00 0.00 C ATOM 411 O LYS A 28 -6.075 -10.542 0.636 1.00 0.00 O ATOM 412 CB LYS A 28 -6.434 -13.593 -0.662 1.00 0.00 C ATOM 413 CG LYS A 28 -6.912 -14.368 -1.876 1.00 0.00 C ATOM 414 CD LYS A 28 -7.843 -13.529 -2.732 1.00 0.00 C ATOM 415 CE LYS A 28 -8.350 -14.305 -3.936 1.00 0.00 C ATOM 416 NZ LYS A 28 -9.289 -13.496 -4.762 1.00 0.00 N ATOM 0 H LYS A 28 -4.360 -13.442 -1.990 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.504 -11.658 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.717 -14.201 -0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.279 -13.415 0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.054 -14.684 -2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.427 -15.273 -1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.689 -13.196 -2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.320 -12.634 -3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.505 -14.618 -4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.852 -15.212 -3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.612 -14.061 -5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.108 -13.219 -4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.803 -12.643 -5.105 1.00 0.00 H new ATOM 430 N VAL A 29 -4.322 -11.932 0.877 1.00 0.00 N ATOM 431 CA VAL A 29 -3.841 -11.287 2.088 1.00 0.00 C ATOM 432 C VAL A 29 -3.549 -9.821 1.816 1.00 0.00 C ATOM 433 O VAL A 29 -3.854 -8.950 2.632 1.00 0.00 O ATOM 434 CB VAL A 29 -2.573 -11.975 2.629 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.045 -11.251 3.854 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.852 -13.436 2.945 1.00 0.00 C ATOM 0 H VAL A 29 -3.760 -12.725 0.568 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.623 -11.372 2.843 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.806 -11.932 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.150 -11.756 4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.800 -10.222 3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.806 -11.255 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.945 -13.906 3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.638 -13.502 3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.173 -13.949 2.039 1.00 0.00 H new ATOM 446 N VAL A 30 -2.979 -9.552 0.649 1.00 0.00 N ATOM 447 CA VAL A 30 -2.677 -8.188 0.257 1.00 0.00 C ATOM 448 C VAL A 30 -3.979 -7.434 0.019 1.00 0.00 C ATOM 449 O VAL A 30 -4.184 -6.350 0.559 1.00 0.00 O ATOM 450 CB VAL A 30 -1.806 -8.144 -1.010 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.428 -6.709 -1.352 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.561 -9.000 -0.833 1.00 0.00 C ATOM 0 H VAL A 30 -2.718 -10.259 -0.038 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.114 -7.716 1.062 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.386 -8.551 -1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.812 -6.699 -2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.332 -6.126 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.869 -6.273 -0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.043 -8.956 -1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.021 -8.626 0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.853 -10.032 -0.641 1.00 0.00 H new ATOM 462 N LYS A 31 -4.877 -8.022 -0.774 1.00 0.00 N ATOM 463 CA LYS A 31 -6.167 -7.391 -1.040 1.00 0.00 C ATOM 464 C LYS A 31 -6.835 -7.004 0.271 1.00 0.00 C ATOM 465 O LYS A 31 -7.372 -5.905 0.406 1.00 0.00 O ATOM 466 CB LYS A 31 -7.084 -8.316 -1.842 1.00 0.00 C ATOM 467 CG LYS A 31 -6.635 -8.516 -3.279 1.00 0.00 C ATOM 468 CD LYS A 31 -7.659 -9.303 -4.081 1.00 0.00 C ATOM 469 CE LYS A 31 -8.930 -8.500 -4.300 1.00 0.00 C ATOM 470 NZ LYS A 31 -8.673 -7.257 -5.078 1.00 0.00 N ATOM 0 H LYS A 31 -4.737 -8.920 -1.236 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.989 -6.495 -1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.132 -9.286 -1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.094 -7.906 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.472 -7.546 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.680 -9.041 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.232 -9.581 -5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.898 -10.229 -3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.661 -9.113 -4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.367 -8.241 -3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.571 -6.890 -5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.239 -6.543 -4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.029 -7.468 -5.867 1.00 0.00 H new ATOM 484 N GLN A 32 -6.774 -7.909 1.243 1.00 0.00 N ATOM 485 CA GLN A 32 -7.353 -7.652 2.554 1.00 0.00 C ATOM 486 C GLN A 32 -6.693 -6.422 3.165 1.00 0.00 C ATOM 487 O GLN A 32 -7.339 -5.614 3.833 1.00 0.00 O ATOM 488 CB GLN A 32 -7.169 -8.866 3.468 1.00 0.00 C ATOM 489 CG GLN A 32 -7.833 -8.714 4.828 1.00 0.00 C ATOM 490 CD GLN A 32 -9.352 -8.589 4.763 1.00 0.00 C ATOM 491 OE1 GLN A 32 -9.939 -8.820 3.588 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -9.998 -8.306 5.772 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.331 -8.823 1.147 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.422 -7.469 2.444 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.575 -9.748 2.972 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.103 -9.043 3.612 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.575 -9.574 5.446 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.426 -7.832 5.324 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.516 -8.135 6.655 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.015 -8.242 5.725 1.00 0.00 H new ATOM 501 N PHE A 33 -5.396 -6.289 2.909 1.00 0.00 N ATOM 502 CA PHE A 33 -4.611 -5.162 3.400 1.00 0.00 C ATOM 503 C PHE A 33 -5.271 -3.841 2.989 1.00 0.00 C ATOM 504 O PHE A 33 -5.711 -3.060 3.832 1.00 0.00 O ATOM 505 CB PHE A 33 -3.190 -5.264 2.830 1.00 0.00 C ATOM 506 CG PHE A 33 -2.202 -4.320 3.444 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.764 -4.512 4.743 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.705 -3.243 2.723 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.853 -3.646 5.311 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.793 -2.375 3.291 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.369 -2.581 4.591 1.00 0.00 C ATOM 0 H PHE A 33 -4.860 -6.958 2.356 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.563 -5.187 4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.831 -6.284 2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.229 -5.080 1.756 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.139 -5.347 5.317 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.035 -3.082 1.707 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.519 -3.806 6.326 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.413 -1.539 2.722 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.343 -1.904 5.040 1.00 0.00 H new ATOM 521 N PHE A 34 -5.342 -3.618 1.681 1.00 0.00 N ATOM 522 CA PHE A 34 -5.954 -2.409 1.127 1.00 0.00 C ATOM 523 C PHE A 34 -7.452 -2.400 1.382 1.00 0.00 C ATOM 524 O PHE A 34 -8.029 -1.366 1.719 1.00 0.00 O ATOM 525 CB PHE A 34 -5.647 -2.313 -0.360 1.00 0.00 C ATOM 526 CG PHE A 34 -4.177 -2.367 -0.610 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.329 -1.482 0.033 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.637 -3.319 -1.451 1.00 0.00 C ATOM 529 CE1 PHE A 34 -1.968 -1.547 -0.160 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.275 -3.386 -1.655 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.441 -2.499 -1.004 1.00 0.00 C ATOM 0 H PHE A 34 -4.981 -4.262 0.978 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.532 -1.536 1.624 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.139 -3.129 -0.889 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.053 -1.383 -0.759 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.740 -0.732 0.693 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.288 -4.019 -1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.315 -0.853 0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.862 -4.129 -2.321 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.373 -2.552 -1.157 1.00 0.00 H new ATOM 541 N ASN A 35 -8.071 -3.562 1.248 1.00 0.00 N ATOM 542 CA ASN A 35 -9.499 -3.705 1.495 1.00 0.00 C ATOM 543 C ASN A 35 -9.852 -3.083 2.845 1.00 0.00 C ATOM 544 O ASN A 35 -10.893 -2.445 3.008 1.00 0.00 O ATOM 545 CB ASN A 35 -9.855 -5.189 1.510 1.00 0.00 C ATOM 546 CG ASN A 35 -11.339 -5.440 1.638 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.003 -4.905 2.526 1.00 0.00 O ATOM 548 ND2 ASN A 35 -11.858 -6.278 0.756 1.00 0.00 N ATOM 0 H ASN A 35 -7.605 -4.425 0.968 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.059 -3.198 0.709 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.492 -5.653 0.593 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.338 -5.672 2.339 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.851 -6.507 0.793 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.265 -6.695 0.039 1.00 0.00 H new ATOM 555 N ASP A 36 -8.956 -3.294 3.805 1.00 0.00 N ATOM 556 CA ASP A 36 -9.124 -2.780 5.163 1.00 0.00 C ATOM 557 C ASP A 36 -8.424 -1.435 5.381 1.00 0.00 C ATOM 558 O ASP A 36 -8.816 -0.673 6.265 1.00 0.00 O ATOM 559 CB ASP A 36 -8.610 -3.802 6.180 1.00 0.00 C ATOM 560 CG ASP A 36 -9.386 -5.104 6.130 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.613 -5.074 6.359 1.00 0.00 O ATOM 562 OD2 ASP A 36 -8.765 -6.153 5.863 1.00 0.00 O ATOM 0 H ASP A 36 -8.096 -3.824 3.666 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.192 -2.614 5.307 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.556 -4.002 5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.678 -3.379 7.182 1.00 0.00 H new ATOM 567 N ASN A 37 -7.397 -1.133 4.585 1.00 0.00 N ATOM 568 CA ASN A 37 -6.684 0.137 4.729 1.00 0.00 C ATOM 569 C ASN A 37 -7.465 1.264 4.072 1.00 0.00 C ATOM 570 O ASN A 37 -7.586 2.359 4.624 1.00 0.00 O ATOM 571 CB ASN A 37 -5.280 0.067 4.115 1.00 0.00 C ATOM 572 CG ASN A 37 -4.366 -0.905 4.832 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.337 -0.953 6.063 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.586 -1.663 4.070 1.00 0.00 N ATOM 0 H ASN A 37 -7.044 -1.740 3.845 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.586 0.334 5.796 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.362 -0.225 3.068 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.831 1.060 4.135 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.931 -2.316 4.501 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.642 -1.592 3.054 1.00 0.00 H new ATOM 581 N GLY A 38 -7.987 0.962 2.883 1.00 0.00 N ATOM 582 CA GLY A 38 -8.768 1.904 2.095 1.00 0.00 C ATOM 583 C GLY A 38 -9.108 3.214 2.789 1.00 0.00 C ATOM 584 O GLY A 38 -8.234 4.047 3.033 1.00 0.00 O ATOM 0 H GLY A 38 -7.877 0.050 2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.219 2.129 1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.698 1.419 1.797 1.00 0.00 H new ATOM 588 N VAL A 39 -10.399 3.426 3.026 1.00 0.00 N ATOM 589 CA VAL A 39 -10.879 4.677 3.605 1.00 0.00 C ATOM 590 C VAL A 39 -10.864 4.752 5.134 1.00 0.00 C ATOM 591 O VAL A 39 -10.318 5.704 5.690 1.00 0.00 O ATOM 592 CB VAL A 39 -12.301 4.994 3.094 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.888 6.204 3.809 1.00 0.00 C ATOM 594 CG2 VAL A 39 -12.277 5.225 1.592 1.00 0.00 C ATOM 0 H VAL A 39 -11.133 2.747 2.826 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.158 5.423 3.270 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.939 4.137 3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.890 6.402 3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.941 6.004 4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.254 7.073 3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.285 5.448 1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.620 6.064 1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.909 4.329 1.092 1.00 0.00 H new ATOM 604 N ASP A 40 -11.500 3.813 5.821 1.00 0.00 N ATOM 605 CA ASP A 40 -11.577 3.878 7.284 1.00 0.00 C ATOM 606 C ASP A 40 -10.400 3.218 8.000 1.00 0.00 C ATOM 607 O ASP A 40 -10.531 2.812 9.155 1.00 0.00 O ATOM 608 CB ASP A 40 -12.881 3.237 7.766 1.00 0.00 C ATOM 609 CG ASP A 40 -14.110 3.964 7.259 1.00 0.00 C ATOM 610 OD1 ASP A 40 -13.952 4.988 6.561 1.00 0.00 O ATOM 611 OD2 ASP A 40 -15.234 3.511 7.563 1.00 0.00 O ATOM 0 H ASP A 40 -11.965 3.007 5.403 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.543 4.938 7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.915 2.199 7.435 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.894 3.225 8.856 1.00 0.00 H new ATOM 616 N GLY A 41 -9.252 3.127 7.345 1.00 0.00 N ATOM 617 CA GLY A 41 -8.099 2.531 7.997 1.00 0.00 C ATOM 618 C GLY A 41 -7.553 3.432 9.090 1.00 0.00 C ATOM 619 O GLY A 41 -7.910 4.609 9.157 1.00 0.00 O ATOM 0 H GLY A 41 -9.096 3.449 6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.378 1.567 8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.320 2.339 7.259 1.00 0.00 H new ATOM 623 N GLU A 42 -6.701 2.893 9.957 1.00 0.00 N ATOM 624 CA GLU A 42 -6.123 3.678 11.047 1.00 0.00 C ATOM 625 C GLU A 42 -4.835 4.362 10.593 1.00 0.00 C ATOM 626 O GLU A 42 -3.758 3.766 10.642 1.00 0.00 O ATOM 627 CB GLU A 42 -5.839 2.785 12.255 1.00 0.00 C ATOM 628 CG GLU A 42 -7.072 2.085 12.800 1.00 0.00 C ATOM 629 CD GLU A 42 -6.758 1.188 13.981 1.00 0.00 C ATOM 630 OE1 GLU A 42 -6.256 1.706 15.002 1.00 0.00 O ATOM 631 OE2 GLU A 42 -7.013 -0.031 13.886 1.00 0.00 O ATOM 0 H GLU A 42 -6.395 1.920 9.928 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.844 4.444 11.334 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.100 2.034 11.975 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.396 3.389 13.046 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.806 2.832 13.101 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.528 1.491 12.008 1.00 0.00 H new ATOM 638 N TRP A 43 -4.953 5.603 10.126 1.00 0.00 N ATOM 639 CA TRP A 43 -3.795 6.349 9.638 1.00 0.00 C ATOM 640 C TRP A 43 -3.167 7.233 10.712 1.00 0.00 C ATOM 641 O TRP A 43 -3.765 8.214 11.154 1.00 0.00 O ATOM 642 CB TRP A 43 -4.199 7.232 8.458 1.00 0.00 C ATOM 643 CG TRP A 43 -4.728 6.471 7.286 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.725 5.542 7.294 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.291 6.581 5.934 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.937 5.066 6.023 1.00 0.00 N ATOM 647 CE2 TRP A 43 -5.066 5.689 5.169 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.319 7.349 5.297 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.897 5.550 3.797 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.149 7.209 3.937 1.00 0.00 C ATOM 651 CH2 TRP A 43 -3.934 6.316 3.197 1.00 0.00 C ATOM 0 H TRP A 43 -5.835 6.112 10.075 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.056 5.608 9.334 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.957 7.941 8.790 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.334 7.815 8.140 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.269 5.226 8.172 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.629 4.365 5.759 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.710 8.041 5.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.503 4.863 3.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.397 7.798 3.433 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.777 6.230 2.132 1.00 0.00 H new ATOM 662 N THR A 44 -1.937 6.904 11.091 1.00 0.00 N ATOM 663 CA THR A 44 -1.199 7.689 12.071 1.00 0.00 C ATOM 664 C THR A 44 -0.062 8.425 11.364 1.00 0.00 C ATOM 665 O THR A 44 0.593 7.862 10.488 1.00 0.00 O ATOM 666 CB THR A 44 -0.654 6.793 13.184 1.00 0.00 C ATOM 667 OG1 THR A 44 0.154 5.764 12.649 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.740 6.142 14.015 1.00 0.00 C ATOM 0 H THR A 44 -1.429 6.095 10.732 1.00 0.00 H new ATOM 0 HA THR A 44 -1.869 8.415 12.531 1.00 0.00 H new ATOM 0 HB THR A 44 -0.074 7.454 13.828 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.950 6.156 12.234 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.285 5.520 14.786 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.351 6.913 14.484 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.367 5.523 13.373 1.00 0.00 H new ATOM 676 N TYR A 45 0.155 9.686 11.723 1.00 0.00 N ATOM 677 CA TYR A 45 1.199 10.483 11.085 1.00 0.00 C ATOM 678 C TYR A 45 2.323 10.830 12.059 1.00 0.00 C ATOM 679 O TYR A 45 2.082 11.079 13.241 1.00 0.00 O ATOM 680 CB TYR A 45 0.585 11.764 10.510 1.00 0.00 C ATOM 681 CG TYR A 45 1.551 12.616 9.718 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.542 12.038 8.934 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.469 14.001 9.752 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.423 12.817 8.208 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.346 14.788 9.029 1.00 0.00 C ATOM 686 CZ TYR A 45 3.320 14.190 8.258 1.00 0.00 C ATOM 687 OH TYR A 45 4.194 14.970 7.536 1.00 0.00 O ATOM 0 H TYR A 45 -0.372 10.176 12.446 1.00 0.00 H new ATOM 0 HA TYR A 45 1.635 9.889 10.282 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.254 11.495 9.868 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.181 12.359 11.329 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.625 10.962 8.891 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.706 14.472 10.354 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.188 12.352 7.604 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.269 15.865 9.068 1.00 0.00 H new ATOM 0 HH TYR A 45 4.149 14.721 6.589 1.00 0.00 H new ATOM 697 N ASP A 46 3.553 10.855 11.547 1.00 0.00 N ATOM 698 CA ASP A 46 4.720 11.182 12.359 1.00 0.00 C ATOM 699 C ASP A 46 5.478 12.362 11.754 1.00 0.00 C ATOM 700 O ASP A 46 6.443 12.179 11.014 1.00 0.00 O ATOM 701 CB ASP A 46 5.645 9.970 12.474 1.00 0.00 C ATOM 702 CG ASP A 46 6.864 10.249 13.334 1.00 0.00 C ATOM 703 OD1 ASP A 46 6.687 10.579 14.525 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.995 10.138 12.815 1.00 0.00 O ATOM 0 H ASP A 46 3.765 10.652 10.570 1.00 0.00 H new ATOM 0 HA ASP A 46 4.378 11.460 13.356 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.090 9.132 12.897 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.968 9.668 11.478 1.00 0.00 H new ATOM 709 N ASP A 47 5.027 13.575 12.068 1.00 0.00 N ATOM 710 CA ASP A 47 5.652 14.793 11.550 1.00 0.00 C ATOM 711 C ASP A 47 7.175 14.737 11.658 1.00 0.00 C ATOM 712 O ASP A 47 7.888 15.263 10.803 1.00 0.00 O ATOM 713 CB ASP A 47 5.129 16.016 12.307 1.00 0.00 C ATOM 714 CG ASP A 47 3.619 16.142 12.243 1.00 0.00 C ATOM 715 OD1 ASP A 47 2.974 15.258 11.640 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.081 17.121 12.799 1.00 0.00 O ATOM 0 H ASP A 47 4.229 13.742 12.680 1.00 0.00 H new ATOM 0 HA ASP A 47 5.390 14.873 10.495 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.440 15.953 13.350 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.583 16.916 11.892 1.00 0.00 H new ATOM 721 N ALA A 48 7.665 14.115 12.725 1.00 0.00 N ATOM 722 CA ALA A 48 9.102 14.005 12.964 1.00 0.00 C ATOM 723 C ALA A 48 9.856 13.488 11.740 1.00 0.00 C ATOM 724 O ALA A 48 10.998 13.882 11.498 1.00 0.00 O ATOM 725 CB ALA A 48 9.365 13.107 14.162 1.00 0.00 C ATOM 0 H ALA A 48 7.086 13.677 13.442 1.00 0.00 H new ATOM 0 HA ALA A 48 9.475 15.008 13.172 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.439 13.032 14.331 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.887 13.530 15.046 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.958 12.115 13.969 1.00 0.00 H new ATOM 731 N THR A 49 9.227 12.603 10.978 1.00 0.00 N ATOM 732 CA THR A 49 9.864 12.039 9.789 1.00 0.00 C ATOM 733 C THR A 49 8.979 12.167 8.550 1.00 0.00 C ATOM 734 O THR A 49 9.238 11.528 7.531 1.00 0.00 O ATOM 735 CB THR A 49 10.213 10.568 10.024 1.00 0.00 C ATOM 736 OG1 THR A 49 9.055 9.825 10.356 1.00 0.00 O ATOM 737 CG2 THR A 49 11.225 10.358 11.129 1.00 0.00 C ATOM 0 H THR A 49 8.283 12.260 11.158 1.00 0.00 H new ATOM 0 HA THR A 49 10.775 12.609 9.608 1.00 0.00 H new ATOM 0 HB THR A 49 10.649 10.224 9.086 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.894 9.885 11.321 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.426 9.292 11.241 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.150 10.877 10.878 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.829 10.753 12.065 1.00 0.00 H new ATOM 745 N LYS A 50 7.932 12.987 8.636 1.00 0.00 N ATOM 746 CA LYS A 50 7.026 13.168 7.505 1.00 0.00 C ATOM 747 C LYS A 50 6.547 11.814 6.990 1.00 0.00 C ATOM 748 O LYS A 50 6.294 11.645 5.796 1.00 0.00 O ATOM 749 CB LYS A 50 7.737 13.922 6.374 1.00 0.00 C ATOM 750 CG LYS A 50 8.145 15.344 6.728 1.00 0.00 C ATOM 751 CD LYS A 50 6.987 16.319 6.578 1.00 0.00 C ATOM 752 CE LYS A 50 7.384 17.720 7.010 1.00 0.00 C ATOM 753 NZ LYS A 50 8.528 18.244 6.216 1.00 0.00 N ATOM 0 H LYS A 50 7.693 13.530 9.466 1.00 0.00 H new ATOM 0 HA LYS A 50 6.166 13.748 7.840 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.627 13.363 6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.081 13.951 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.513 15.372 7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.968 15.656 6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.656 16.337 5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.142 15.978 7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.530 18.389 6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.650 17.712 8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.333 19.225 5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.393 18.217 6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.660 17.657 5.368 1.00 0.00 H new ATOM 767 N THR A 51 6.456 10.843 7.895 1.00 0.00 N ATOM 768 CA THR A 51 6.042 9.492 7.530 1.00 0.00 C ATOM 769 C THR A 51 4.688 9.127 8.136 1.00 0.00 C ATOM 770 O THR A 51 4.337 9.584 9.223 1.00 0.00 O ATOM 771 CB THR A 51 7.108 8.488 7.984 1.00 0.00 C ATOM 772 OG1 THR A 51 8.352 8.764 7.363 1.00 0.00 O ATOM 773 CG2 THR A 51 6.760 7.047 7.681 1.00 0.00 C ATOM 0 H THR A 51 6.663 10.967 8.886 1.00 0.00 H new ATOM 0 HA THR A 51 5.935 9.455 6.446 1.00 0.00 H new ATOM 0 HB THR A 51 7.163 8.607 9.066 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.636 9.674 7.589 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.562 6.398 8.032 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.831 6.783 8.187 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.635 6.921 6.605 1.00 0.00 H new ATOM 781 N PHE A 52 3.944 8.289 7.419 1.00 0.00 N ATOM 782 CA PHE A 52 2.633 7.837 7.871 1.00 0.00 C ATOM 783 C PHE A 52 2.613 6.318 8.016 1.00 0.00 C ATOM 784 O PHE A 52 3.144 5.604 7.172 1.00 0.00 O ATOM 785 CB PHE A 52 1.548 8.260 6.876 1.00 0.00 C ATOM 786 CG PHE A 52 1.549 9.728 6.551 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.619 10.303 5.886 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.472 10.527 6.901 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.616 11.651 5.577 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.463 11.874 6.593 1.00 0.00 C ATOM 791 CZ PHE A 52 1.536 12.437 5.930 1.00 0.00 C ATOM 0 H PHE A 52 4.230 7.908 6.517 1.00 0.00 H new ATOM 0 HA PHE A 52 2.434 8.296 8.840 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.677 7.695 5.953 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.573 7.990 7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.465 9.692 5.606 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.369 10.092 7.420 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.457 12.089 5.060 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.382 12.486 6.870 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.531 13.490 5.688 1.00 0.00 H new ATOM 801 N THR A 53 1.983 5.825 9.076 1.00 0.00 N ATOM 802 CA THR A 53 1.887 4.386 9.299 1.00 0.00 C ATOM 803 C THR A 53 0.441 3.917 9.229 1.00 0.00 C ATOM 804 O THR A 53 -0.421 4.400 9.963 1.00 0.00 O ATOM 805 CB THR A 53 2.508 3.994 10.640 1.00 0.00 C ATOM 806 OG1 THR A 53 2.197 4.945 11.642 1.00 0.00 O ATOM 807 CG2 THR A 53 4.010 3.840 10.584 1.00 0.00 C ATOM 0 H THR A 53 1.533 6.396 9.791 1.00 0.00 H new ATOM 0 HA THR A 53 2.447 3.892 8.505 1.00 0.00 H new ATOM 0 HB THR A 53 2.075 3.023 10.883 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.389 4.664 12.120 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.384 3.561 11.569 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.270 3.064 9.864 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.461 4.784 10.278 1.00 0.00 H new ATOM 815 N VAL A 54 0.185 2.965 8.338 1.00 0.00 N ATOM 816 CA VAL A 54 -1.153 2.416 8.166 1.00 0.00 C ATOM 817 C VAL A 54 -1.245 1.021 8.775 1.00 0.00 C ATOM 818 O VAL A 54 -0.708 0.057 8.228 1.00 0.00 O ATOM 819 CB VAL A 54 -1.556 2.359 6.677 1.00 0.00 C ATOM 820 CG1 VAL A 54 -2.960 1.791 6.519 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.464 3.742 6.050 1.00 0.00 C ATOM 0 H VAL A 54 0.889 2.557 7.723 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.844 3.081 8.683 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.862 1.697 6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.223 1.760 5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.993 0.782 6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.670 2.424 7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.751 3.685 5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.134 4.424 6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.441 4.109 6.127 1.00 0.00 H new ATOM 831 N THR A 55 -1.925 0.923 9.912 1.00 0.00 N ATOM 832 CA THR A 55 -2.086 -0.353 10.598 1.00 0.00 C ATOM 833 C THR A 55 -3.456 -0.950 10.312 1.00 0.00 C ATOM 834 O THR A 55 -4.480 -0.366 10.669 1.00 0.00 O ATOM 835 CB THR A 55 -1.894 -0.179 12.104 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.654 0.450 12.381 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.921 -1.487 12.861 1.00 0.00 C ATOM 0 H THR A 55 -2.373 1.712 10.378 1.00 0.00 H new ATOM 0 HA THR A 55 -1.325 -1.037 10.223 1.00 0.00 H new ATOM 0 HB THR A 55 -2.732 0.435 12.435 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.549 0.555 13.350 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.779 -1.295 13.925 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.882 -1.977 12.706 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.121 -2.133 12.499 1.00 0.00 H new ATOM 845 N GLU A 56 -3.478 -2.107 9.653 1.00 0.00 N ATOM 846 CA GLU A 56 -4.745 -2.749 9.319 1.00 0.00 C ATOM 847 C GLU A 56 -5.447 -3.253 10.577 1.00 0.00 C ATOM 848 O GLU A 56 -4.807 -3.255 11.651 1.00 0.00 O ATOM 849 CB GLU A 56 -4.536 -3.905 8.333 1.00 0.00 C ATOM 850 CG GLU A 56 -3.926 -5.152 8.954 1.00 0.00 C ATOM 851 CD GLU A 56 -3.960 -6.340 8.013 1.00 0.00 C ATOM 852 OE1 GLU A 56 -3.361 -6.252 6.922 1.00 0.00 O ATOM 853 OE2 GLU A 56 -4.586 -7.362 8.370 1.00 0.00 O ATOM 854 OXT GLU A 56 -6.631 -3.640 10.480 1.00 0.00 O ATOM 0 H GLU A 56 -2.647 -2.611 9.344 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.378 -2.001 8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.496 -4.167 7.889 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.892 -3.564 7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.894 -4.946 9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.465 -5.400 9.868 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 6.662 18.705 -1.789 1.00 0.00 N ATOM 863 CA MET B 1 7.171 17.867 -0.671 1.00 0.00 C ATOM 864 C MET B 1 6.858 16.391 -0.884 1.00 0.00 C ATOM 865 O MET B 1 5.744 16.026 -1.259 1.00 0.00 O ATOM 866 CB MET B 1 6.533 18.346 0.634 1.00 0.00 C ATOM 867 CG MET B 1 7.060 19.685 1.123 1.00 0.00 C ATOM 868 SD MET B 1 6.204 20.272 2.596 1.00 0.00 S ATOM 869 CE MET B 1 6.587 18.960 3.752 1.00 0.00 C ATOM 0 H1 MET B 1 7.036 19.671 -1.697 1.00 0.00 H new ATOM 0 H2 MET B 1 6.970 18.299 -2.695 1.00 0.00 H new ATOM 0 H3 MET B 1 5.623 18.732 -1.757 1.00 0.00 H new ATOM 0 HA MET B 1 8.255 17.970 -0.628 1.00 0.00 H new ATOM 0 HB2 MET B 1 5.455 18.421 0.494 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.703 17.596 1.406 1.00 0.00 H new ATOM 0 HG2 MET B 1 8.125 19.595 1.338 1.00 0.00 H new ATOM 0 HG3 MET B 1 6.956 20.424 0.328 1.00 0.00 H new ATOM 0 HE1 MET B 1 6.068 19.141 4.693 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.264 18.005 3.338 1.00 0.00 H new ATOM 0 HE3 MET B 1 7.662 18.934 3.930 1.00 0.00 H new ATOM 881 N GLN B 2 7.846 15.547 -0.614 1.00 0.00 N ATOM 882 CA GLN B 2 7.682 14.107 -0.743 1.00 0.00 C ATOM 883 C GLN B 2 7.493 13.495 0.639 1.00 0.00 C ATOM 884 O GLN B 2 8.133 13.913 1.603 1.00 0.00 O ATOM 885 CB GLN B 2 8.896 13.483 -1.435 1.00 0.00 C ATOM 886 CG GLN B 2 8.783 11.976 -1.614 1.00 0.00 C ATOM 887 CD GLN B 2 9.984 11.351 -2.314 1.00 0.00 C ATOM 888 OE1 GLN B 2 10.970 12.167 -2.688 1.00 0.00 O flip ATOM 889 NE2 GLN B 2 10.026 10.137 -2.517 1.00 0.00 N flip ATOM 0 H GLN B 2 8.773 15.838 -0.303 1.00 0.00 H new ATOM 0 HA GLN B 2 6.803 13.904 -1.354 1.00 0.00 H new ATOM 0 HB2 GLN B 2 9.027 13.948 -2.412 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.791 13.706 -0.853 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.661 11.511 -0.636 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.883 11.753 -2.187 1.00 0.00 H new ATOM 0 HE21 GLN B 2 9.253 9.543 -2.217 1.00 0.00 H new ATOM 0 HE22 GLN B 2 10.834 9.726 -2.985 1.00 0.00 H new ATOM 898 N TYR B 3 6.604 12.516 0.740 1.00 0.00 N ATOM 899 CA TYR B 3 6.336 11.877 2.022 1.00 0.00 C ATOM 900 C TYR B 3 6.530 10.370 1.947 1.00 0.00 C ATOM 901 O TYR B 3 6.251 9.742 0.927 1.00 0.00 O ATOM 902 CB TYR B 3 4.912 12.190 2.482 1.00 0.00 C ATOM 903 CG TYR B 3 4.648 13.665 2.677 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.454 14.506 1.588 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.592 14.217 3.950 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.212 15.855 1.764 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.350 15.566 4.134 1.00 0.00 C ATOM 908 CZ TYR B 3 4.162 16.379 3.036 1.00 0.00 C ATOM 909 OH TYR B 3 3.920 17.722 3.215 1.00 0.00 O ATOM 0 H TYR B 3 6.061 12.150 -0.042 1.00 0.00 H new ATOM 0 HA TYR B 3 7.048 12.276 2.744 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.208 11.798 1.748 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.719 11.668 3.419 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.493 14.099 0.588 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.740 13.582 4.811 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.063 16.496 0.907 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.309 15.980 5.131 1.00 0.00 H new ATOM 0 HH TYR B 3 3.916 17.929 4.173 1.00 0.00 H new ATOM 919 N LYS B 4 6.993 9.796 3.052 1.00 0.00 N ATOM 920 CA LYS B 4 7.208 8.361 3.140 1.00 0.00 C ATOM 921 C LYS B 4 6.027 7.712 3.848 1.00 0.00 C ATOM 922 O LYS B 4 5.889 7.815 5.064 1.00 0.00 O ATOM 923 CB LYS B 4 8.504 8.061 3.898 1.00 0.00 C ATOM 924 CG LYS B 4 8.766 6.576 4.103 1.00 0.00 C ATOM 925 CD LYS B 4 8.981 5.851 2.786 1.00 0.00 C ATOM 926 CE LYS B 4 10.186 6.399 2.038 1.00 0.00 C ATOM 927 NZ LYS B 4 10.459 5.640 0.786 1.00 0.00 N ATOM 0 H LYS B 4 7.227 10.308 3.902 1.00 0.00 H new ATOM 0 HA LYS B 4 7.294 7.953 2.133 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.342 8.496 3.353 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.467 8.552 4.871 1.00 0.00 H new ATOM 0 HG2 LYS B 4 9.644 6.446 4.736 1.00 0.00 H new ATOM 0 HG3 LYS B 4 7.924 6.128 4.630 1.00 0.00 H new ATOM 0 HD2 LYS B 4 9.122 4.787 2.974 1.00 0.00 H new ATOM 0 HD3 LYS B 4 8.090 5.950 2.165 1.00 0.00 H new ATOM 0 HE2 LYS B 4 10.016 7.448 1.796 1.00 0.00 H new ATOM 0 HE3 LYS B 4 11.063 6.359 2.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 10.749 6.300 0.036 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 11.221 4.953 0.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 9.598 5.137 0.490 1.00 0.00 H new ATOM 941 N VAL B 5 5.174 7.046 3.084 1.00 0.00 N ATOM 942 CA VAL B 5 4.006 6.393 3.649 1.00 0.00 C ATOM 943 C VAL B 5 4.299 4.927 3.947 1.00 0.00 C ATOM 944 O VAL B 5 4.498 4.118 3.044 1.00 0.00 O ATOM 945 CB VAL B 5 2.787 6.508 2.711 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.574 5.806 3.307 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.474 7.969 2.426 1.00 0.00 C ATOM 0 H VAL B 5 5.270 6.944 2.074 1.00 0.00 H new ATOM 0 HA VAL B 5 3.766 6.902 4.582 1.00 0.00 H new ATOM 0 HB VAL B 5 3.033 6.016 1.770 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.728 5.901 2.627 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.802 4.751 3.457 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.323 6.263 4.264 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.611 8.034 1.763 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.252 8.483 3.361 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.334 8.439 1.949 1.00 0.00 H new ATOM 957 N ILE B 6 4.326 4.608 5.231 1.00 0.00 N ATOM 958 CA ILE B 6 4.593 3.254 5.688 1.00 0.00 C ATOM 959 C ILE B 6 3.289 2.500 5.930 1.00 0.00 C ATOM 960 O ILE B 6 2.395 2.990 6.617 1.00 0.00 O ATOM 961 CB ILE B 6 5.433 3.272 6.986 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.774 3.965 6.739 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.659 1.864 7.513 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.645 4.054 7.973 1.00 0.00 C ATOM 0 H ILE B 6 4.164 5.278 5.983 1.00 0.00 H new ATOM 0 HA ILE B 6 5.157 2.742 4.908 1.00 0.00 H new ATOM 0 HB ILE B 6 4.878 3.830 7.740 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.314 3.426 5.961 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.590 4.971 6.361 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.253 1.908 8.426 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.698 1.397 7.727 1.00 0.00 H new ATOM 0 HG23 ILE B 6 6.189 1.276 6.764 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.579 4.557 7.723 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.124 4.619 8.746 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.860 3.050 8.340 1.00 0.00 H new ATOM 976 N LEU B 7 3.182 1.312 5.349 1.00 0.00 N ATOM 977 CA LEU B 7 1.984 0.494 5.495 1.00 0.00 C ATOM 978 C LEU B 7 2.282 -0.730 6.359 1.00 0.00 C ATOM 979 O LEU B 7 2.950 -1.664 5.912 1.00 0.00 O ATOM 980 CB LEU B 7 1.484 0.061 4.113 1.00 0.00 C ATOM 981 CG LEU B 7 1.509 1.156 3.050 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.018 0.607 1.719 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.666 2.342 3.496 1.00 0.00 C ATOM 0 H LEU B 7 3.911 0.893 4.772 1.00 0.00 H new ATOM 0 HA LEU B 7 1.208 1.082 5.986 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.093 -0.775 3.768 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.463 -0.307 4.211 1.00 0.00 H new ATOM 0 HG LEU B 7 2.535 1.500 2.918 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.040 1.397 0.969 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.664 -0.212 1.403 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.003 0.242 1.830 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.692 3.116 2.729 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.364 2.019 3.651 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.065 2.742 4.428 1.00 0.00 H new ATOM 995 N ASN B 8 1.812 -0.714 7.606 1.00 0.00 N ATOM 996 CA ASN B 8 2.063 -1.820 8.528 1.00 0.00 C ATOM 997 C ASN B 8 0.806 -2.640 8.813 1.00 0.00 C ATOM 998 O ASN B 8 -0.096 -2.189 9.513 1.00 0.00 O ATOM 999 CB ASN B 8 2.621 -1.286 9.849 1.00 0.00 C ATOM 1000 CG ASN B 8 3.887 -0.481 9.661 1.00 0.00 C ATOM 1001 OD1 ASN B 8 3.881 0.551 8.994 1.00 0.00 O ATOM 1002 ND2 ASN B 8 4.980 -0.947 10.255 1.00 0.00 N ATOM 0 H ASN B 8 1.259 0.048 7.999 1.00 0.00 H new ATOM 0 HA ASN B 8 2.788 -2.475 8.045 1.00 0.00 H new ATOM 0 HB2 ASN B 8 1.868 -0.664 10.333 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.822 -2.122 10.519 1.00 0.00 H new ATOM 0 HD21 ASN B 8 5.862 -0.443 10.167 1.00 0.00 H new ATOM 0 HD22 ASN B 8 4.937 -1.809 10.799 1.00 0.00 H new ATOM 1009 N GLY B 9 0.760 -3.855 8.284 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.385 -4.714 8.520 1.00 0.00 C ATOM 1011 C GLY B 9 -0.018 -5.922 9.348 1.00 0.00 C ATOM 1012 O GLY B 9 1.094 -6.013 9.868 1.00 0.00 O ATOM 0 H GLY B 9 1.490 -4.260 7.699 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -1.165 -4.148 9.029 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.798 -5.040 7.565 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.947 -6.856 9.468 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.703 -8.065 10.234 1.00 0.00 C ATOM 1018 C LYS B 10 0.164 -9.032 9.436 1.00 0.00 C ATOM 1019 O LYS B 10 1.185 -9.516 9.923 1.00 0.00 O ATOM 1020 CB LYS B 10 -2.026 -8.736 10.611 1.00 0.00 C ATOM 1021 CG LYS B 10 -2.935 -7.861 11.455 1.00 0.00 C ATOM 1022 CD LYS B 10 -4.224 -8.583 11.817 1.00 0.00 C ATOM 1023 CE LYS B 10 -5.131 -7.711 12.670 1.00 0.00 C ATOM 1024 NZ LYS B 10 -5.516 -6.456 11.967 1.00 0.00 N ATOM 0 H LYS B 10 -1.874 -6.800 9.046 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.176 -7.792 11.148 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.553 -9.019 9.699 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.814 -9.656 11.155 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -2.414 -7.565 12.366 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -3.170 -6.946 10.911 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -4.748 -8.873 10.906 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -3.989 -9.501 12.355 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -6.029 -8.270 12.933 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -4.624 -7.464 13.603 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -6.298 -5.998 12.478 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -4.700 -5.812 11.934 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -5.820 -6.680 10.998 1.00 0.00 H new ATOM 1038 N THR B 11 -0.265 -9.318 8.211 1.00 0.00 N ATOM 1039 CA THR B 11 0.441 -10.232 7.332 1.00 0.00 C ATOM 1040 C THR B 11 1.129 -9.492 6.193 1.00 0.00 C ATOM 1041 O THR B 11 1.687 -10.115 5.289 1.00 0.00 O ATOM 1042 CB THR B 11 -0.554 -11.232 6.755 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.740 -10.571 6.357 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.941 -12.328 7.720 1.00 0.00 C ATOM 0 H THR B 11 -1.112 -8.921 7.804 1.00 0.00 H new ATOM 0 HA THR B 11 1.208 -10.745 7.913 1.00 0.00 H new ATOM 0 HB THR B 11 -0.045 -11.690 5.907 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.518 -11.098 6.635 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.651 -13.001 7.240 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.052 -12.887 8.012 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.400 -11.888 8.605 1.00 0.00 H new ATOM 1052 N LEU B 12 1.083 -8.166 6.227 1.00 0.00 N ATOM 1053 CA LEU B 12 1.698 -7.370 5.179 1.00 0.00 C ATOM 1054 C LEU B 12 2.450 -6.173 5.748 1.00 0.00 C ATOM 1055 O LEU B 12 1.974 -5.497 6.659 1.00 0.00 O ATOM 1056 CB LEU B 12 0.636 -6.905 4.181 1.00 0.00 C ATOM 1057 CG LEU B 12 1.165 -6.072 3.019 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.335 -6.780 2.364 1.00 0.00 C ATOM 1059 CD2 LEU B 12 0.062 -5.803 2.004 1.00 0.00 C ATOM 0 H LEU B 12 0.630 -7.625 6.963 1.00 0.00 H new ATOM 0 HA LEU B 12 2.424 -8.000 4.664 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.129 -7.782 3.779 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.113 -6.321 4.716 1.00 0.00 H new ATOM 0 HG LEU B 12 1.509 -5.112 3.405 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.707 -6.178 1.535 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.131 -6.921 3.095 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.010 -7.751 1.990 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.461 -5.207 1.183 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.314 -6.750 1.616 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.751 -5.259 2.486 1.00 0.00 H new ATOM 1071 N LYS B 13 3.627 -5.920 5.187 1.00 0.00 N ATOM 1072 CA LYS B 13 4.461 -4.802 5.614 1.00 0.00 C ATOM 1073 C LYS B 13 5.176 -4.198 4.411 1.00 0.00 C ATOM 1074 O LYS B 13 5.584 -4.918 3.503 1.00 0.00 O ATOM 1075 CB LYS B 13 5.489 -5.254 6.656 1.00 0.00 C ATOM 1076 CG LYS B 13 4.886 -6.026 7.820 1.00 0.00 C ATOM 1077 CD LYS B 13 4.744 -7.510 7.508 1.00 0.00 C ATOM 1078 CE LYS B 13 6.097 -8.177 7.320 1.00 0.00 C ATOM 1079 NZ LYS B 13 5.964 -9.634 7.047 1.00 0.00 N ATOM 0 H LYS B 13 4.027 -6.477 4.432 1.00 0.00 H new ATOM 0 HA LYS B 13 3.818 -4.049 6.069 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.237 -5.878 6.167 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.009 -4.378 7.044 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.513 -5.899 8.703 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.908 -5.611 8.062 1.00 0.00 H new ATOM 0 HD2 LYS B 13 4.205 -8.002 8.318 1.00 0.00 H new ATOM 0 HD3 LYS B 13 4.147 -7.636 6.605 1.00 0.00 H new ATOM 0 HE2 LYS B 13 6.626 -7.700 6.495 1.00 0.00 H new ATOM 0 HE3 LYS B 13 6.702 -8.029 8.214 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 6.908 -10.052 6.925 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 5.482 -10.094 7.846 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.408 -9.775 6.179 1.00 0.00 H new ATOM 1093 N GLY B 14 5.328 -2.876 4.401 1.00 0.00 N ATOM 1094 CA GLY B 14 5.996 -2.231 3.285 1.00 0.00 C ATOM 1095 C GLY B 14 6.181 -0.740 3.474 1.00 0.00 C ATOM 1096 O GLY B 14 5.832 -0.183 4.514 1.00 0.00 O ATOM 0 H GLY B 14 5.005 -2.247 5.136 1.00 0.00 H new ATOM 0 HA2 GLY B 14 6.971 -2.695 3.138 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.420 -2.406 2.376 1.00 0.00 H new ATOM 1100 N GLU B 15 6.728 -0.094 2.448 1.00 0.00 N ATOM 1101 CA GLU B 15 6.963 1.345 2.471 1.00 0.00 C ATOM 1102 C GLU B 15 6.613 1.957 1.118 1.00 0.00 C ATOM 1103 O GLU B 15 6.945 1.402 0.071 1.00 0.00 O ATOM 1104 CB GLU B 15 8.424 1.659 2.814 1.00 0.00 C ATOM 1105 CG GLU B 15 8.863 1.186 4.194 1.00 0.00 C ATOM 1106 CD GLU B 15 8.923 -0.324 4.310 1.00 0.00 C ATOM 1107 OE1 GLU B 15 9.639 -0.956 3.505 1.00 0.00 O ATOM 1108 OE2 GLU B 15 8.259 -0.878 5.214 1.00 0.00 O ATOM 0 H GLU B 15 7.019 -0.550 1.583 1.00 0.00 H new ATOM 0 HA GLU B 15 6.325 1.777 3.242 1.00 0.00 H new ATOM 0 HB2 GLU B 15 9.067 1.199 2.064 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.577 2.736 2.747 1.00 0.00 H new ATOM 0 HG2 GLU B 15 9.845 1.602 4.419 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.173 1.575 4.942 1.00 0.00 H new ATOM 1115 N THR B 16 5.940 3.100 1.149 1.00 0.00 N ATOM 1116 CA THR B 16 5.541 3.789 -0.072 1.00 0.00 C ATOM 1117 C THR B 16 5.782 5.294 0.046 1.00 0.00 C ATOM 1118 O THR B 16 6.065 5.796 1.131 1.00 0.00 O ATOM 1119 CB THR B 16 4.075 3.480 -0.398 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.539 4.461 -1.250 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.181 3.375 0.818 1.00 0.00 C ATOM 0 H THR B 16 5.658 3.571 2.009 1.00 0.00 H new ATOM 0 HA THR B 16 6.156 3.425 -0.895 1.00 0.00 H new ATOM 0 HB THR B 16 4.094 2.503 -0.881 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.560 4.420 -1.221 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.161 3.155 0.502 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.541 2.576 1.466 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.196 4.319 1.363 1.00 0.00 H new ATOM 1129 N THR B 17 5.702 6.012 -1.079 1.00 0.00 N ATOM 1130 CA THR B 17 5.948 7.453 -1.072 1.00 0.00 C ATOM 1131 C THR B 17 5.050 8.227 -2.039 1.00 0.00 C ATOM 1132 O THR B 17 5.092 8.018 -3.251 1.00 0.00 O ATOM 1133 CB THR B 17 7.409 7.733 -1.419 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.731 7.205 -2.692 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.383 7.152 -0.420 1.00 0.00 C ATOM 0 H THR B 17 5.472 5.623 -1.993 1.00 0.00 H new ATOM 0 HA THR B 17 5.714 7.799 -0.065 1.00 0.00 H new ATOM 0 HB THR B 17 7.506 8.819 -1.406 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.937 7.228 -3.266 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.402 7.387 -0.726 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.192 7.579 0.565 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.258 6.070 -0.377 1.00 0.00 H new ATOM 1143 N THR B 18 4.265 9.148 -1.485 1.00 0.00 N ATOM 1144 CA THR B 18 3.374 9.998 -2.275 1.00 0.00 C ATOM 1145 C THR B 18 3.929 11.424 -2.312 1.00 0.00 C ATOM 1146 O THR B 18 4.510 11.894 -1.335 1.00 0.00 O ATOM 1147 CB THR B 18 1.965 10.002 -1.674 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.075 10.714 -2.511 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.896 10.624 -0.293 1.00 0.00 C ATOM 0 H THR B 18 4.227 9.327 -0.481 1.00 0.00 H new ATOM 0 HA THR B 18 3.316 9.603 -3.289 1.00 0.00 H new ATOM 0 HB THR B 18 1.683 8.953 -1.589 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.321 10.570 -3.448 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.869 10.592 0.069 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.539 10.068 0.389 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.231 11.660 -0.343 1.00 0.00 H new ATOM 1157 N GLU B 19 3.743 12.110 -3.433 1.00 0.00 N ATOM 1158 CA GLU B 19 4.225 13.483 -3.574 1.00 0.00 C ATOM 1159 C GLU B 19 3.058 14.459 -3.504 1.00 0.00 C ATOM 1160 O GLU B 19 2.164 14.428 -4.351 1.00 0.00 O ATOM 1161 CB GLU B 19 4.972 13.653 -4.898 1.00 0.00 C ATOM 1162 CG GLU B 19 5.515 15.056 -5.117 1.00 0.00 C ATOM 1163 CD GLU B 19 6.254 15.195 -6.433 1.00 0.00 C ATOM 1164 OE1 GLU B 19 5.628 14.973 -7.492 1.00 0.00 O ATOM 1165 OE2 GLU B 19 7.457 15.526 -6.407 1.00 0.00 O ATOM 0 H GLU B 19 3.265 11.742 -4.255 1.00 0.00 H new ATOM 0 HA GLU B 19 4.913 13.695 -2.755 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.799 12.943 -4.932 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.301 13.400 -5.719 1.00 0.00 H new ATOM 0 HG2 GLU B 19 4.691 15.769 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU B 19 6.187 15.314 -4.298 1.00 0.00 H new ATOM 1172 N ALA B 20 3.053 15.319 -2.486 1.00 0.00 N ATOM 1173 CA ALA B 20 1.973 16.284 -2.323 1.00 0.00 C ATOM 1174 C ALA B 20 2.454 17.575 -1.665 1.00 0.00 C ATOM 1175 O ALA B 20 3.430 17.585 -0.914 1.00 0.00 O ATOM 1176 CB ALA B 20 0.844 15.664 -1.517 1.00 0.00 C ATOM 0 H ALA B 20 3.778 15.366 -1.770 1.00 0.00 H new ATOM 0 HA ALA B 20 1.607 16.546 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA B 20 0.040 16.390 -1.399 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.465 14.785 -2.038 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.216 15.371 -0.535 1.00 0.00 H new ATOM 1182 N VAL B 21 1.764 18.665 -1.982 1.00 0.00 N ATOM 1183 CA VAL B 21 2.104 19.989 -1.459 1.00 0.00 C ATOM 1184 C VAL B 21 2.251 19.986 0.062 1.00 0.00 C ATOM 1185 O VAL B 21 3.121 20.665 0.610 1.00 0.00 O ATOM 1186 CB VAL B 21 1.031 21.025 -1.845 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.485 22.430 -1.481 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.695 20.924 -3.324 1.00 0.00 C ATOM 0 H VAL B 21 0.957 18.659 -2.605 1.00 0.00 H new ATOM 0 HA VAL B 21 3.062 20.258 -1.905 1.00 0.00 H new ATOM 0 HB VAL B 21 0.125 20.808 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.713 23.146 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.661 22.489 -0.407 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.407 22.664 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.065 21.664 -3.576 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.592 21.109 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.316 19.926 -3.544 1.00 0.00 H new ATOM 1198 N ASP B 22 1.404 19.222 0.739 1.00 0.00 N ATOM 1199 CA ASP B 22 1.456 19.144 2.198 1.00 0.00 C ATOM 1200 C ASP B 22 1.118 17.745 2.695 1.00 0.00 C ATOM 1201 O ASP B 22 0.683 16.887 1.926 1.00 0.00 O ATOM 1202 CB ASP B 22 0.514 20.172 2.828 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.875 20.129 2.229 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.010 20.439 1.027 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.829 19.785 2.960 1.00 0.00 O ATOM 0 H ASP B 22 0.677 18.651 0.308 1.00 0.00 H new ATOM 0 HA ASP B 22 2.478 19.371 2.502 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.449 19.991 3.901 1.00 0.00 H new ATOM 0 HB3 ASP B 22 0.932 21.170 2.698 1.00 0.00 H new ATOM 1210 N ALA B 23 1.329 17.519 3.991 1.00 0.00 N ATOM 1211 CA ALA B 23 1.053 16.225 4.595 1.00 0.00 C ATOM 1212 C ALA B 23 -0.403 15.829 4.407 1.00 0.00 C ATOM 1213 O ALA B 23 -0.706 14.679 4.099 1.00 0.00 O ATOM 1214 CB ALA B 23 1.416 16.240 6.071 1.00 0.00 C ATOM 0 H ALA B 23 1.690 18.218 4.640 1.00 0.00 H new ATOM 0 HA ALA B 23 1.669 15.480 4.091 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.203 15.264 6.508 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.477 16.464 6.183 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.828 17.002 6.582 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.301 16.789 4.584 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.722 16.527 4.418 1.00 0.00 C ATOM 1222 C ALA B 24 -3.010 16.126 2.979 1.00 0.00 C ATOM 1223 O ALA B 24 -3.544 15.048 2.724 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.545 17.743 4.819 1.00 0.00 C ATOM 0 H ALA B 24 -1.072 17.749 4.841 1.00 0.00 H new ATOM 0 HA ALA B 24 -3.006 15.703 5.072 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.605 17.525 4.687 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.352 17.985 5.864 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.269 18.592 4.193 1.00 0.00 H new ATOM 1230 N THR B 25 -2.620 16.982 2.035 1.00 0.00 N ATOM 1231 CA THR B 25 -2.814 16.680 0.630 1.00 0.00 C ATOM 1232 C THR B 25 -2.215 15.315 0.331 1.00 0.00 C ATOM 1233 O THR B 25 -2.834 14.484 -0.336 1.00 0.00 O ATOM 1234 CB THR B 25 -2.176 17.757 -0.242 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.837 17.994 0.152 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.918 19.077 -0.202 1.00 0.00 C ATOM 0 H THR B 25 -2.173 17.880 2.221 1.00 0.00 H new ATOM 0 HA THR B 25 -3.880 16.662 0.404 1.00 0.00 H new ATOM 0 HB THR B 25 -2.220 17.370 -1.260 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.665 17.552 1.010 1.00 0.00 H new ATOM 0 HG21 THR B 25 -2.412 19.798 -0.843 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.939 18.931 -0.555 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.938 19.452 0.821 1.00 0.00 H new ATOM 1244 N ALA B 26 -1.019 15.077 0.864 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.356 13.796 0.689 1.00 0.00 C ATOM 1246 C ALA B 26 -1.220 12.697 1.290 1.00 0.00 C ATOM 1247 O ALA B 26 -1.542 11.712 0.625 1.00 0.00 O ATOM 1248 CB ALA B 26 1.022 13.812 1.335 1.00 0.00 C ATOM 0 H ALA B 26 -0.494 15.754 1.418 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.222 13.604 -0.375 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.502 12.844 1.193 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.631 14.590 0.874 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.922 14.014 2.401 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.613 12.884 2.552 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.460 11.921 3.242 1.00 0.00 C ATOM 1256 C GLU B 27 -3.678 11.585 2.392 1.00 0.00 C ATOM 1257 O GLU B 27 -4.013 10.417 2.200 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.908 12.478 4.597 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.797 11.528 5.382 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.233 12.102 6.716 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -4.886 13.166 6.720 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -3.921 11.485 7.756 1.00 0.00 O ATOM 0 H GLU B 27 -1.355 13.696 3.113 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.883 11.012 3.409 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -2.026 12.713 5.193 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.443 13.414 4.437 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.679 11.289 4.788 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.263 10.593 5.551 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.328 12.623 1.872 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.500 12.442 1.028 1.00 0.00 C ATOM 1271 C LYS B 28 -5.123 11.681 -0.231 1.00 0.00 C ATOM 1272 O LYS B 28 -5.808 10.738 -0.630 1.00 0.00 O ATOM 1273 CB LYS B 28 -6.111 13.795 0.665 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.588 14.583 1.873 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.552 13.766 2.715 1.00 0.00 C ATOM 1276 CE LYS B 28 -8.056 14.554 3.914 1.00 0.00 C ATOM 1277 NZ LYS B 28 -9.026 13.770 4.726 1.00 0.00 N ATOM 0 H LYS B 28 -4.061 13.596 2.022 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.242 11.865 1.580 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.372 14.386 0.123 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.951 13.637 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.732 14.878 2.479 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.076 15.500 1.543 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.398 13.455 2.102 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.056 12.858 3.058 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -7.211 14.845 4.539 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.530 15.474 3.571 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.345 14.342 5.533 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.844 13.514 4.138 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.567 12.905 5.075 1.00 0.00 H new ATOM 1291 N VAL B 29 -4.018 12.085 -0.845 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.536 11.427 -2.049 1.00 0.00 C ATOM 1293 C VAL B 29 -3.282 9.954 -1.774 1.00 0.00 C ATOM 1294 O VAL B 29 -3.598 9.094 -2.595 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.243 12.087 -2.571 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.715 11.350 -3.790 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.483 13.554 -2.890 1.00 0.00 C ATOM 0 H VAL B 29 -3.441 12.864 -0.528 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.305 11.529 -2.814 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.488 12.027 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.803 11.833 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.498 10.315 -3.524 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.464 11.372 -4.581 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.560 14.002 -3.257 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.256 13.639 -3.654 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.806 14.074 -1.988 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.737 9.673 -0.600 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.473 8.303 -0.203 1.00 0.00 C ATOM 1309 C VAL B 30 -3.797 7.580 0.016 1.00 0.00 C ATOM 1310 O VAL B 30 -4.022 6.501 -0.526 1.00 0.00 O ATOM 1311 CB VAL B 30 -1.622 8.238 1.076 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.284 6.795 1.423 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.355 9.064 0.916 1.00 0.00 C ATOM 0 H VAL B 30 -2.471 10.375 0.091 1.00 0.00 H new ATOM 0 HA VAL B 30 -1.909 7.817 -0.999 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.203 8.658 1.897 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -0.681 6.771 2.331 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.205 6.234 1.583 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -0.723 6.345 0.603 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.235 9.006 1.831 1.00 0.00 H new ATOM 0 HG22 VAL B 30 0.230 8.676 0.082 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.620 10.103 0.720 1.00 0.00 H new ATOM 1323 N LYS B 31 -4.693 8.189 0.797 1.00 0.00 N ATOM 1324 CA LYS B 31 -5.999 7.590 1.044 1.00 0.00 C ATOM 1325 C LYS B 31 -6.659 7.220 -0.275 1.00 0.00 C ATOM 1326 O LYS B 31 -7.222 6.136 -0.419 1.00 0.00 O ATOM 1327 CB LYS B 31 -6.905 8.538 1.834 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.472 8.726 3.277 1.00 0.00 C ATOM 1329 CD LYS B 31 -7.487 9.539 4.066 1.00 0.00 C ATOM 1330 CE LYS B 31 -8.780 8.766 4.266 1.00 0.00 C ATOM 1331 NZ LYS B 31 -8.566 7.517 5.047 1.00 0.00 N ATOM 0 H LYS B 31 -4.538 9.084 1.262 1.00 0.00 H new ATOM 0 HA LYS B 31 -5.850 6.690 1.640 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -6.922 9.509 1.339 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -7.925 8.153 1.816 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.341 7.752 3.748 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -5.504 9.226 3.305 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.067 9.806 5.036 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -7.696 10.471 3.541 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -9.504 9.397 4.782 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -9.208 8.518 3.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -9.471 7.200 5.450 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -8.187 6.777 4.422 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -7.890 7.700 5.816 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.561 8.123 -1.247 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.130 7.879 -2.565 1.00 0.00 C ATOM 1347 C GLN B 32 -6.490 6.635 -3.168 1.00 0.00 C ATOM 1348 O GLN B 32 -7.147 5.843 -3.845 1.00 0.00 O ATOM 1349 CB GLN B 32 -6.902 9.089 -3.476 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.551 8.954 -4.847 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.073 8.866 -4.800 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.670 9.111 -3.635 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -9.711 8.599 -5.820 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.095 9.025 -1.146 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.204 7.721 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.292 9.981 -2.985 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -5.830 9.239 -3.604 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.264 9.808 -5.460 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.160 8.063 -5.338 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.220 8.417 -6.695 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.730 8.560 -5.789 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.200 6.470 -2.894 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.438 5.325 -3.375 1.00 0.00 C ATOM 1364 C PHE B 33 -5.134 4.020 -2.972 1.00 0.00 C ATOM 1365 O PHE B 33 -5.581 3.249 -3.822 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.021 5.390 -2.785 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.047 4.425 -3.385 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.587 4.605 -4.677 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.587 3.336 -2.656 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.690 3.718 -5.234 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.689 2.448 -3.213 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.240 2.640 -4.504 1.00 0.00 C ATOM 0 H PHE B 33 -4.655 7.125 -2.333 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.377 5.351 -4.463 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.635 6.401 -2.913 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.080 5.205 -1.712 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -1.934 5.449 -5.255 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -1.935 3.183 -1.645 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.340 3.869 -6.244 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.338 1.603 -2.639 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.463 1.946 -4.941 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.229 3.799 -1.666 1.00 0.00 N ATOM 1383 CA PHE B 34 -5.877 2.605 -1.121 1.00 0.00 C ATOM 1384 C PHE B 34 -7.371 2.630 -1.397 1.00 0.00 C ATOM 1385 O PHE B 34 -7.969 1.612 -1.740 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.593 2.501 0.371 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.127 2.520 0.641 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.293 1.614 0.010 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.575 3.458 1.490 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -1.932 1.646 0.220 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.215 3.492 1.712 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.393 2.583 1.073 1.00 0.00 C ATOM 0 H PHE B 34 -4.863 4.435 -0.957 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.468 1.723 -1.613 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.073 3.328 0.894 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.026 1.581 0.764 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.714 0.874 -0.654 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.215 4.173 1.985 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.290 0.938 -0.283 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.793 4.226 2.383 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.327 2.608 1.243 1.00 0.00 H new ATOM 1402 N ASN B 35 -7.964 3.809 -1.274 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.384 3.986 -1.539 1.00 0.00 C ATOM 1404 C ASN B 35 -9.733 3.374 -2.895 1.00 0.00 C ATOM 1405 O ASN B 35 -10.786 2.763 -3.074 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.704 5.478 -1.558 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.179 5.765 -1.708 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.845 5.241 -2.601 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -11.689 6.621 -0.838 1.00 0.00 N ATOM 0 H ASN B 35 -7.480 4.661 -0.991 1.00 0.00 H new ATOM 0 HA ASN B 35 -9.967 3.492 -0.761 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.343 5.933 -0.635 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.163 5.949 -2.378 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.676 6.873 -0.890 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.095 7.029 -0.116 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.817 3.563 -3.841 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.979 3.055 -5.204 1.00 0.00 C ATOM 1418 C ASP B 36 -8.309 1.692 -5.411 1.00 0.00 C ATOM 1419 O ASP B 36 -8.707 0.940 -6.302 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.429 4.063 -6.212 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.171 5.384 -6.171 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.395 5.383 -6.418 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.529 6.417 -5.895 1.00 0.00 O ATOM 0 H ASP B 36 -7.945 4.070 -3.688 1.00 0.00 H new ATOM 0 HA ASP B 36 -10.048 2.917 -5.365 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.372 4.236 -6.009 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.496 3.643 -7.216 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.303 1.366 -4.600 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.618 0.078 -4.736 1.00 0.00 C ATOM 1430 C ASN B 37 -7.436 -1.028 -4.088 1.00 0.00 C ATOM 1431 O ASN B 37 -7.576 -2.121 -4.643 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.223 0.113 -4.100 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.277 1.063 -4.805 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -4.228 1.108 -6.035 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.487 1.801 -4.029 1.00 0.00 N ATOM 0 H ASN B 37 -6.948 1.963 -3.854 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.509 -0.121 -5.802 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.313 0.408 -3.054 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.798 -0.891 -4.113 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.808 2.435 -4.449 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.561 1.733 -3.014 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.965 -0.715 -2.907 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.779 -1.636 -2.130 1.00 0.00 C ATOM 1444 C GLY B 38 -9.141 -2.940 -2.828 1.00 0.00 C ATOM 1445 O GLY B 38 -8.284 -3.792 -3.059 1.00 0.00 O ATOM 0 H GLY B 38 -7.837 0.194 -2.462 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.249 -1.873 -1.208 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.701 -1.128 -1.846 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.433 -3.118 -3.083 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.936 -4.358 -3.669 1.00 0.00 C ATOM 1451 C VAL B 39 -10.900 -4.433 -5.199 1.00 0.00 C ATOM 1452 O VAL B 39 -10.367 -5.399 -5.748 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.372 -4.640 -3.182 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.975 -5.835 -3.910 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -12.381 -4.875 -1.681 1.00 0.00 C ATOM 0 H VAL B 39 -11.152 -2.420 -2.893 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.240 -5.121 -3.321 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.984 -3.766 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.987 -6.010 -3.546 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -13.004 -5.632 -4.981 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -12.365 -6.719 -3.725 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -13.400 -5.073 -1.350 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.749 -5.731 -1.443 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -12.000 -3.990 -1.172 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.504 -3.480 -5.894 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.562 -3.541 -7.358 1.00 0.00 C ATOM 1467 C ASP B 40 -10.360 -2.910 -8.057 1.00 0.00 C ATOM 1468 O ASP B 40 -10.466 -2.501 -9.214 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.845 -2.874 -7.857 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.097 -3.572 -7.363 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -13.970 -4.596 -6.661 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -15.206 -3.097 -7.686 1.00 0.00 O ATOM 0 H ASP B 40 -11.956 -2.664 -5.481 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.548 -4.601 -7.613 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.860 -1.834 -7.530 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -12.845 -2.865 -8.947 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.221 -2.847 -7.388 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.044 -2.280 -8.021 1.00 0.00 C ATOM 1479 C GLY B 41 -7.507 -3.195 -9.107 1.00 0.00 C ATOM 1480 O GLY B 41 -7.890 -4.362 -9.178 1.00 0.00 O ATOM 0 H GLY B 41 -9.087 -3.173 -6.431 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.291 -1.309 -8.450 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.272 -2.110 -7.271 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.627 -2.676 -9.961 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.055 -3.478 -11.042 1.00 0.00 C ATOM 1486 C GLU B 42 -4.789 -4.192 -10.572 1.00 0.00 C ATOM 1487 O GLU B 42 -3.699 -3.621 -10.602 1.00 0.00 O ATOM 1488 CB GLU B 42 -5.730 -2.591 -12.246 1.00 0.00 C ATOM 1489 CG GLU B 42 -6.938 -1.862 -12.809 1.00 0.00 C ATOM 1490 CD GLU B 42 -6.585 -0.972 -13.986 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -6.080 -1.501 -14.998 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -6.811 0.252 -13.893 1.00 0.00 O ATOM 0 H GLU B 42 -6.296 -1.712 -9.927 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.791 -4.226 -11.337 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -4.978 -1.858 -11.954 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.289 -3.206 -13.031 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.685 -2.592 -13.121 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.391 -1.257 -12.024 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.944 -5.431 -10.108 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.811 -6.204 -9.604 1.00 0.00 C ATOM 1501 C TRP B 43 -3.189 -7.103 -10.668 1.00 0.00 C ATOM 1502 O TRP B 43 -3.806 -8.069 -11.120 1.00 0.00 O ATOM 1503 CB TRP B 43 -4.252 -7.077 -8.430 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.782 -6.303 -7.265 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.754 -5.350 -7.285 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.366 -6.425 -5.907 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.973 -4.869 -6.018 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.129 -5.515 -5.151 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.420 -7.217 -5.256 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -4.974 -5.379 -3.777 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.266 -7.080 -3.894 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.039 -6.169 -3.164 1.00 0.00 C ATOM 0 H TRP B 43 -5.839 -5.919 -10.071 1.00 0.00 H new ATOM 0 HA TRP B 43 -3.059 -5.480 -9.290 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -5.020 -7.770 -8.773 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -3.405 -7.679 -8.099 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -6.277 -5.020 -8.170 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.651 -4.151 -5.764 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -2.820 -7.924 -5.809 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.569 -4.676 -3.213 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.535 -7.687 -3.380 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -3.895 -6.088 -2.097 1.00 0.00 H new ATOM 1523 N THR B 44 -1.948 -6.803 -11.031 1.00 0.00 N ATOM 1524 CA THR B 44 -1.215 -7.606 -12.000 1.00 0.00 C ATOM 1525 C THR B 44 -0.106 -8.368 -11.278 1.00 0.00 C ATOM 1526 O THR B 44 0.550 -7.823 -10.392 1.00 0.00 O ATOM 1527 CB THR B 44 -0.633 -6.724 -13.106 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.193 -5.714 -12.558 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.689 -6.046 -13.952 1.00 0.00 C ATOM 0 H THR B 44 -1.427 -6.006 -10.667 1.00 0.00 H new ATOM 0 HA THR B 44 -1.896 -8.316 -12.469 1.00 0.00 H new ATOM 0 HB THR B 44 -0.062 -7.400 -13.743 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.040 -6.109 -12.261 1.00 0.00 H new ATOM 0 HG21 THR B 44 -1.207 -5.437 -14.716 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.312 -6.801 -14.430 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.309 -5.411 -13.320 1.00 0.00 H new ATOM 1537 N TYR B 45 0.084 -9.634 -11.635 1.00 0.00 N ATOM 1538 CA TYR B 45 1.100 -10.458 -10.982 1.00 0.00 C ATOM 1539 C TYR B 45 2.228 -10.833 -11.939 1.00 0.00 C ATOM 1540 O TYR B 45 1.998 -11.076 -13.124 1.00 0.00 O ATOM 1541 CB TYR B 45 0.445 -11.723 -10.415 1.00 0.00 C ATOM 1542 CG TYR B 45 1.381 -12.598 -9.610 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.374 -12.044 -8.812 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.266 -13.982 -9.647 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.226 -12.845 -8.075 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.112 -14.789 -8.912 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.090 -14.216 -8.128 1.00 0.00 C ATOM 1548 OH TYR B 45 3.936 -15.015 -7.395 1.00 0.00 O ATOM 0 H TYR B 45 -0.445 -10.110 -12.365 1.00 0.00 H new ATOM 0 HA TYR B 45 1.540 -9.875 -10.173 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.395 -11.432 -9.784 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.037 -12.308 -11.239 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.482 -10.970 -8.767 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.502 -14.435 -10.261 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.994 -12.399 -7.461 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.008 -15.863 -8.951 1.00 0.00 H new ATOM 0 HH TYR B 45 3.860 -14.787 -6.445 1.00 0.00 H new ATOM 1558 N ASP B 46 3.450 -10.888 -11.410 1.00 0.00 N ATOM 1559 CA ASP B 46 4.620 -11.244 -12.205 1.00 0.00 C ATOM 1560 C ASP B 46 5.340 -12.443 -11.591 1.00 0.00 C ATOM 1561 O ASP B 46 6.300 -12.282 -10.834 1.00 0.00 O ATOM 1562 CB ASP B 46 5.576 -10.054 -12.308 1.00 0.00 C ATOM 1563 CG ASP B 46 6.800 -10.364 -13.150 1.00 0.00 C ATOM 1564 OD1 ASP B 46 6.631 -10.688 -14.343 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.926 -10.280 -12.616 1.00 0.00 O ATOM 0 H ASP B 46 3.654 -10.689 -10.430 1.00 0.00 H new ATOM 0 HA ASP B 46 4.285 -11.514 -13.207 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.048 -9.204 -12.740 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.892 -9.758 -11.308 1.00 0.00 H new ATOM 1570 N ASP B 47 4.864 -13.643 -11.910 1.00 0.00 N ATOM 1571 CA ASP B 47 5.452 -14.875 -11.384 1.00 0.00 C ATOM 1572 C ASP B 47 6.978 -14.857 -11.471 1.00 0.00 C ATOM 1573 O ASP B 47 7.666 -15.399 -10.605 1.00 0.00 O ATOM 1574 CB ASP B 47 4.910 -16.085 -12.150 1.00 0.00 C ATOM 1575 CG ASP B 47 3.397 -16.174 -12.109 1.00 0.00 C ATOM 1576 OD1 ASP B 47 2.766 -15.275 -11.514 1.00 0.00 O ATOM 1577 OD2 ASP B 47 2.843 -17.139 -12.674 1.00 0.00 O ATOM 0 H ASP B 47 4.070 -13.791 -12.533 1.00 0.00 H new ATOM 0 HA ASP B 47 5.174 -14.948 -10.333 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.239 -16.030 -13.188 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.335 -16.996 -11.729 1.00 0.00 H new ATOM 1582 N ALA B 48 7.498 -14.247 -12.530 1.00 0.00 N ATOM 1583 CA ALA B 48 8.940 -14.173 -12.749 1.00 0.00 C ATOM 1584 C ALA B 48 9.690 -13.674 -11.516 1.00 0.00 C ATOM 1585 O ALA B 48 10.818 -14.095 -11.257 1.00 0.00 O ATOM 1586 CB ALA B 48 9.241 -13.282 -13.945 1.00 0.00 C ATOM 0 H ALA B 48 6.940 -13.794 -13.254 1.00 0.00 H new ATOM 0 HA ALA B 48 9.291 -15.185 -12.950 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.319 -13.233 -14.100 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.765 -13.694 -14.835 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.856 -12.280 -13.758 1.00 0.00 H new ATOM 1592 N THR B 49 9.072 -12.772 -10.761 1.00 0.00 N ATOM 1593 CA THR B 49 9.706 -12.224 -9.565 1.00 0.00 C ATOM 1594 C THR B 49 8.802 -12.330 -8.339 1.00 0.00 C ATOM 1595 O THR B 49 9.062 -11.698 -7.316 1.00 0.00 O ATOM 1596 CB THR B 49 10.093 -10.761 -9.795 1.00 0.00 C ATOM 1597 OG1 THR B 49 8.958 -9.991 -10.143 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.125 -10.577 -10.886 1.00 0.00 C ATOM 0 H THR B 49 8.139 -12.406 -10.953 1.00 0.00 H new ATOM 0 HA THR B 49 10.601 -12.816 -9.373 1.00 0.00 H new ATOM 0 HB THR B 49 10.524 -10.426 -8.851 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.742 -10.135 -11.088 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.353 -9.517 -10.996 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.034 -11.118 -10.622 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.733 -10.963 -11.827 1.00 0.00 H new ATOM 1606 N LYS B 50 7.736 -13.123 -8.439 1.00 0.00 N ATOM 1607 CA LYS B 50 6.809 -13.284 -7.321 1.00 0.00 C ATOM 1608 C LYS B 50 6.357 -11.917 -6.811 1.00 0.00 C ATOM 1609 O LYS B 50 6.091 -11.742 -5.622 1.00 0.00 O ATOM 1610 CB LYS B 50 7.485 -14.055 -6.179 1.00 0.00 C ATOM 1611 CG LYS B 50 7.864 -15.486 -6.529 1.00 0.00 C ATOM 1612 CD LYS B 50 6.681 -16.432 -6.393 1.00 0.00 C ATOM 1613 CE LYS B 50 7.047 -17.844 -6.821 1.00 0.00 C ATOM 1614 NZ LYS B 50 8.170 -18.394 -6.013 1.00 0.00 N ATOM 0 H LYS B 50 7.495 -13.658 -9.273 1.00 0.00 H new ATOM 0 HA LYS B 50 5.941 -13.844 -7.670 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.383 -13.518 -5.875 1.00 0.00 H new ATOM 0 HB3 LYS B 50 6.815 -14.069 -5.319 1.00 0.00 H new ATOM 0 HG2 LYS B 50 8.243 -15.522 -7.550 1.00 0.00 H new ATOM 0 HG3 LYS B 50 8.672 -15.818 -5.877 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.338 -16.441 -5.358 1.00 0.00 H new ATOM 0 HD3 LYS B 50 5.852 -16.070 -7.001 1.00 0.00 H new ATOM 0 HE2 LYS B 50 6.176 -18.491 -6.720 1.00 0.00 H new ATOM 0 HE3 LYS B 50 7.324 -17.844 -7.875 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 7.955 -19.375 -5.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 9.045 -18.373 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 8.295 -17.819 -5.156 1.00 0.00 H new ATOM 1628 N THR B 51 6.302 -10.946 -7.718 1.00 0.00 N ATOM 1629 CA THR B 51 5.916 -9.584 -7.358 1.00 0.00 C ATOM 1630 C THR B 51 4.580 -9.187 -7.983 1.00 0.00 C ATOM 1631 O THR B 51 4.231 -9.634 -9.076 1.00 0.00 O ATOM 1632 CB THR B 51 7.012 -8.606 -7.796 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.240 -8.913 -7.159 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.694 -7.158 -7.499 1.00 0.00 C ATOM 0 H THR B 51 6.519 -11.076 -8.706 1.00 0.00 H new ATOM 0 HA THR B 51 5.796 -9.544 -6.275 1.00 0.00 H new ATOM 0 HB THR B 51 7.080 -8.726 -8.877 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.488 -9.840 -7.356 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.516 -6.528 -7.838 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.780 -6.872 -8.019 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.556 -7.029 -6.426 1.00 0.00 H new ATOM 1642 N PHE B 52 3.847 -8.331 -7.277 1.00 0.00 N ATOM 1643 CA PHE B 52 2.553 -7.848 -7.747 1.00 0.00 C ATOM 1644 C PHE B 52 2.572 -6.328 -7.892 1.00 0.00 C ATOM 1645 O PHE B 52 3.109 -5.627 -7.039 1.00 0.00 O ATOM 1646 CB PHE B 52 1.445 -8.245 -6.767 1.00 0.00 C ATOM 1647 CG PHE B 52 1.404 -9.711 -6.443 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.450 -10.313 -5.764 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.313 -10.483 -6.807 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.411 -11.659 -5.456 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.267 -11.830 -6.500 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.317 -12.418 -5.824 1.00 0.00 C ATOM 0 H PHE B 52 4.130 -7.956 -6.372 1.00 0.00 H new ATOM 0 HA PHE B 52 2.356 -8.302 -8.718 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.576 -7.684 -5.842 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.483 -7.950 -7.186 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.306 -9.723 -5.472 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.511 -10.027 -7.336 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.234 -12.117 -4.928 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.589 -12.421 -6.789 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.283 -13.470 -5.583 1.00 0.00 H new ATOM 1662 N THR B 53 1.971 -5.820 -8.960 1.00 0.00 N ATOM 1663 CA THR B 53 1.913 -4.380 -9.184 1.00 0.00 C ATOM 1664 C THR B 53 0.477 -3.874 -9.134 1.00 0.00 C ATOM 1665 O THR B 53 -0.385 -4.337 -9.881 1.00 0.00 O ATOM 1666 CB THR B 53 2.561 -4.003 -10.517 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.241 -4.945 -11.523 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.066 -3.886 -10.439 1.00 0.00 C ATOM 0 H THR B 53 1.518 -6.380 -9.682 1.00 0.00 H new ATOM 0 HA THR B 53 2.474 -3.901 -8.381 1.00 0.00 H new ATOM 0 HB THR B 53 2.155 -3.023 -10.766 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.419 -4.669 -11.980 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.461 -3.616 -11.418 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.334 -3.116 -9.715 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.489 -4.841 -10.127 1.00 0.00 H new ATOM 1676 N VAL B 54 0.231 -2.917 -8.246 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.095 -2.336 -8.094 1.00 0.00 C ATOM 1678 C VAL B 54 -1.143 -0.939 -8.703 1.00 0.00 C ATOM 1679 O VAL B 54 -0.592 0.012 -8.148 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.518 -2.269 -6.609 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.909 -1.667 -6.473 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.470 -3.653 -5.982 1.00 0.00 C ATOM 0 H VAL B 54 0.935 -2.527 -7.620 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.795 -2.984 -8.622 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.816 -1.625 -6.080 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.188 -1.629 -5.420 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.911 -0.658 -6.886 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.626 -2.282 -7.016 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.771 -3.589 -4.936 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.150 -4.318 -6.515 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.455 -4.046 -6.045 1.00 0.00 H new ATOM 1692 N THR B 55 -1.806 -0.825 -9.849 1.00 0.00 N ATOM 1693 CA THR B 55 -1.925 0.455 -10.537 1.00 0.00 C ATOM 1694 C THR B 55 -3.285 1.085 -10.269 1.00 0.00 C ATOM 1695 O THR B 55 -4.318 0.526 -10.641 1.00 0.00 O ATOM 1696 CB THR B 55 -1.717 0.276 -12.039 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.488 -0.380 -12.299 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.702 1.585 -12.796 1.00 0.00 C ATOM 0 H THR B 55 -2.268 -1.602 -10.320 1.00 0.00 H new ATOM 0 HA THR B 55 -1.152 1.120 -10.153 1.00 0.00 H new ATOM 0 HB THR B 55 -2.564 -0.318 -12.382 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.373 -0.487 -13.266 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.551 1.390 -13.858 1.00 0.00 H new ATOM 0 HG22 THR B 55 -2.653 2.099 -12.654 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.892 2.212 -12.423 1.00 0.00 H new ATOM 1706 N GLU B 56 -3.289 2.242 -9.611 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.546 2.916 -9.295 1.00 0.00 C ATOM 1708 C GLU B 56 -5.216 3.436 -10.563 1.00 0.00 C ATOM 1709 O GLU B 56 -4.561 3.422 -11.626 1.00 0.00 O ATOM 1710 CB GLU B 56 -4.322 4.066 -8.305 1.00 0.00 C ATOM 1711 CG GLU B 56 -3.673 5.298 -8.917 1.00 0.00 C ATOM 1712 CD GLU B 56 -3.690 6.488 -7.977 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -3.110 6.383 -6.877 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -4.286 7.523 -8.342 1.00 0.00 O ATOM 1715 OXT GLU B 56 -6.391 3.852 -10.482 1.00 0.00 O ATOM 0 H GLU B 56 -2.450 2.726 -9.291 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.205 2.185 -8.828 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -5.281 4.351 -7.873 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.698 3.709 -7.486 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -2.643 5.066 -9.187 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -4.193 5.559 -9.839 1.00 0.00 H new TER 1722 GLU B 56