USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 874 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: A 56 THR OG1 : rot -93:sc= 0.845 USER MOD Set 1.2: A 59 GLN : amide:sc= -0.902 K(o=-0.057,f=-1.2) USER MOD Set 2.1: A 5 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 23 TYR OH : rot 30:sc= -0.082 USER MOD Set 3.2: A 45 GLN : amide:sc= -1.44 K(o=-1.7,f=-5.3!) USER MOD Set 3.3: A 66 SER OG : rot 72:sc= -0.18 USER MOD Set 4.1: A 9 ASN : amide:sc= -1.85! C(o=-0.066!,f=-7.6!) USER MOD Set 4.2: A 41 LYS NZ :NH3+ 148:sc= 1.79 (180deg=-1.03) USER MOD Single : A 1 TYR N :NH3+ 164:sc= 1.48 (180deg=1.34) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot -170:sc= -1.91! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.26) USER MOD Single : A 11 GLN :FLIP amide:sc= -2.34 F(o=-3.8,f=-2.3) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.688 F(o=-1.6,f=-0.69) USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= 1.05 (180deg=0.686) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -127:sc= 0 (180deg=-1.03) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc=-0.00874 (180deg=-0.132) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.07 USER MOD Single : A 38 LYS NZ :NH3+ 147:sc= -0.186 (180deg=-1.22) USER MOD Single : A 43 HIS : no HE2:sc=-0.000536 X(o=-0.00054,f=-0.38) USER MOD Single : A 50 THR OG1 : rot -34:sc= -0.971! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -150:sc= 1.82 (180deg=1.05) USER MOD Single : A 65 THR OG1 : rot 82:sc= 1.24 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 0.752 (180deg=0.731) USER MOD Single : A 73 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.66) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 71:sc= 0.593 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 167:sc= -0.0388 (180deg=-0.247) USER MOD Single : A 93 LYS NZ :NH3+ -159:sc= 1.15 (180deg=-0.0766) USER MOD Single : A 94 LYS NZ :NH3+ 177:sc= 2.12 (180deg=2.03) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -173:sc= 1.02 (180deg=0.858) USER MOD Single : A 102 LYS NZ :NH3+ 171:sc= 1.22 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -20.245 -4.172 5.573 1.00 0.00 N ATOM 2 CA TYR A 1 -20.821 -3.145 4.712 1.00 0.00 C ATOM 3 C TYR A 1 -19.740 -2.557 3.817 1.00 0.00 C ATOM 4 O TYR A 1 -19.764 -2.745 2.614 1.00 0.00 O ATOM 5 CB TYR A 1 -21.477 -2.029 5.550 1.00 0.00 C ATOM 6 CG TYR A 1 -22.519 -2.511 6.543 1.00 0.00 C ATOM 7 CD1 TYR A 1 -22.154 -2.898 7.831 1.00 0.00 C ATOM 8 CD2 TYR A 1 -23.861 -2.579 6.198 1.00 0.00 C ATOM 9 CE1 TYR A 1 -23.092 -3.335 8.737 1.00 0.00 C ATOM 10 CE2 TYR A 1 -24.810 -3.014 7.104 1.00 0.00 C ATOM 11 CZ TYR A 1 -24.418 -3.392 8.372 1.00 0.00 C ATOM 12 OH TYR A 1 -25.355 -3.827 9.276 1.00 0.00 O ATOM 0 H1 TYR A 1 -20.900 -4.377 6.354 1.00 0.00 H new ATOM 0 H2 TYR A 1 -20.083 -5.038 5.020 1.00 0.00 H new ATOM 0 H3 TYR A 1 -19.341 -3.834 5.959 1.00 0.00 H new ATOM 0 HA TYR A 1 -21.592 -3.605 4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -20.697 -1.495 6.093 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -21.943 -1.312 4.874 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -21.115 -2.854 8.123 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -24.169 -2.287 5.205 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -22.790 -3.632 9.730 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -25.851 -3.058 6.821 1.00 0.00 H new ATOM 0 HH TYR A 1 -26.243 -3.806 8.862 1.00 0.00 H new ATOM 24 N THR A 2 -18.760 -1.900 4.408 1.00 0.00 N ATOM 25 CA THR A 2 -17.709 -1.246 3.650 1.00 0.00 C ATOM 26 C THR A 2 -16.468 -2.155 3.529 1.00 0.00 C ATOM 27 O THR A 2 -15.332 -1.672 3.372 1.00 0.00 O ATOM 28 CB THR A 2 -17.318 0.075 4.347 1.00 0.00 C ATOM 29 OG1 THR A 2 -16.871 -0.186 5.684 1.00 0.00 O ATOM 30 CG2 THR A 2 -18.493 1.036 4.397 1.00 0.00 C ATOM 0 H THR A 2 -18.669 -1.805 5.419 1.00 0.00 H new ATOM 0 HA THR A 2 -18.083 -1.040 2.647 1.00 0.00 H new ATOM 0 HB THR A 2 -16.514 0.530 3.769 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.776 0.661 6.168 1.00 0.00 H new ATOM 0 HG21 THR A 2 -18.189 1.958 4.893 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.822 1.262 3.383 1.00 0.00 H new ATOM 0 HG23 THR A 2 -19.313 0.579 4.951 1.00 0.00 H new ATOM 38 N ASP A 3 -16.734 -3.462 3.482 1.00 0.00 N ATOM 39 CA ASP A 3 -15.722 -4.549 3.538 1.00 0.00 C ATOM 40 C ASP A 3 -14.766 -4.533 2.350 1.00 0.00 C ATOM 41 O ASP A 3 -13.697 -5.114 2.400 1.00 0.00 O ATOM 42 CB ASP A 3 -16.426 -5.919 3.566 1.00 0.00 C ATOM 43 CG ASP A 3 -17.490 -6.035 4.623 1.00 0.00 C ATOM 44 OD1 ASP A 3 -17.173 -6.271 5.804 1.00 0.00 O ATOM 45 OD2 ASP A 3 -18.699 -5.888 4.285 1.00 0.00 O ATOM 0 H ASP A 3 -17.687 -3.817 3.401 1.00 0.00 H new ATOM 0 HA ASP A 3 -15.141 -4.382 4.445 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -16.875 -6.106 2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -15.680 -6.697 3.728 1.00 0.00 H new ATOM 50 N LYS A 4 -15.160 -3.854 1.303 1.00 0.00 N ATOM 51 CA LYS A 4 -14.421 -3.766 0.053 1.00 0.00 C ATOM 52 C LYS A 4 -14.797 -2.472 -0.629 1.00 0.00 C ATOM 53 O LYS A 4 -15.917 -2.023 -0.471 1.00 0.00 O ATOM 54 CB LYS A 4 -14.655 -4.993 -0.880 1.00 0.00 C ATOM 55 CG LYS A 4 -13.888 -6.264 -0.463 1.00 0.00 C ATOM 56 CD LYS A 4 -14.087 -7.416 -1.444 1.00 0.00 C ATOM 57 CE LYS A 4 -13.105 -8.573 -1.173 1.00 0.00 C ATOM 58 NZ LYS A 4 -13.282 -9.204 0.154 1.00 0.00 N ATOM 0 H LYS A 4 -16.033 -3.326 1.289 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.354 -3.777 0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.721 -5.218 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.363 -4.723 -1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.825 -6.035 -0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.218 -6.574 0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.111 -7.783 -1.371 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.950 -7.054 -2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.229 -9.332 -1.946 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.085 -8.199 -1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.590 -9.972 0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.136 -8.493 0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.244 -9.591 0.229 1.00 0.00 H new ATOM 72 N TYR A 5 -13.842 -1.877 -1.360 1.00 0.00 N ATOM 73 CA TYR A 5 -13.924 -0.527 -2.023 1.00 0.00 C ATOM 74 C TYR A 5 -14.271 0.654 -1.129 1.00 0.00 C ATOM 75 O TYR A 5 -13.532 1.616 -1.095 1.00 0.00 O ATOM 76 CB TYR A 5 -14.658 -0.436 -3.395 1.00 0.00 C ATOM 77 CG TYR A 5 -16.075 -0.945 -3.462 1.00 0.00 C ATOM 78 CD1 TYR A 5 -16.341 -2.279 -3.730 1.00 0.00 C ATOM 79 CD2 TYR A 5 -17.145 -0.085 -3.281 1.00 0.00 C ATOM 80 CE1 TYR A 5 -17.633 -2.739 -3.811 1.00 0.00 C ATOM 81 CE2 TYR A 5 -18.440 -0.540 -3.358 1.00 0.00 C ATOM 82 CZ TYR A 5 -18.678 -1.868 -3.622 1.00 0.00 C ATOM 83 OH TYR A 5 -19.974 -2.321 -3.712 1.00 0.00 O ATOM 0 H TYR A 5 -12.942 -2.329 -1.524 1.00 0.00 H new ATOM 0 HA TYR A 5 -12.866 -0.426 -2.265 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -14.661 0.609 -3.706 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -14.068 -0.985 -4.129 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -15.521 -2.966 -3.877 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -16.959 0.959 -3.076 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -17.826 -3.780 -4.022 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -19.265 0.141 -3.212 1.00 0.00 H new ATOM 0 HH TYR A 5 -20.592 -1.578 -3.551 1.00 0.00 H new ATOM 93 N ASP A 6 -15.326 0.545 -0.384 1.00 0.00 N ATOM 94 CA ASP A 6 -15.859 1.628 0.420 1.00 0.00 C ATOM 95 C ASP A 6 -14.874 2.148 1.434 1.00 0.00 C ATOM 96 O ASP A 6 -14.408 3.291 1.335 1.00 0.00 O ATOM 97 CB ASP A 6 -17.128 1.218 1.178 1.00 0.00 C ATOM 98 CG ASP A 6 -18.401 1.119 0.366 1.00 0.00 C ATOM 99 OD1 ASP A 6 -18.692 0.044 -0.175 1.00 0.00 O ATOM 100 OD2 ASP A 6 -19.178 2.103 0.326 1.00 0.00 O ATOM 0 H ASP A 6 -15.863 -0.319 -0.308 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.087 2.414 -0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.947 0.251 1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.292 1.936 1.982 1.00 0.00 H new ATOM 105 N LYS A 7 -14.434 1.296 2.347 1.00 0.00 N ATOM 106 CA LYS A 7 -13.763 1.863 3.507 1.00 0.00 C ATOM 107 C LYS A 7 -12.843 0.937 4.267 1.00 0.00 C ATOM 108 O LYS A 7 -11.645 1.008 4.079 1.00 0.00 O ATOM 109 CB LYS A 7 -14.759 2.545 4.462 1.00 0.00 C ATOM 110 CG LYS A 7 -14.136 3.108 5.728 1.00 0.00 C ATOM 111 CD LYS A 7 -15.193 3.663 6.637 1.00 0.00 C ATOM 112 CE LYS A 7 -14.628 4.064 7.976 1.00 0.00 C ATOM 113 NZ LYS A 7 -15.648 4.716 8.813 1.00 0.00 N ATOM 0 H LYS A 7 -14.519 0.280 2.318 1.00 0.00 H new ATOM 0 HA LYS A 7 -13.098 2.609 3.072 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.259 3.353 3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -15.527 1.824 4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.579 2.326 6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.422 3.891 5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.659 4.528 6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.976 2.918 6.781 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.242 3.183 8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.787 4.742 7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.239 4.950 9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.973 5.588 8.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.454 4.072 8.943 1.00 0.00 H new ATOM 127 N ILE A 8 -13.388 0.053 5.097 1.00 0.00 N ATOM 128 CA ILE A 8 -12.557 -0.732 6.032 1.00 0.00 C ATOM 129 C ILE A 8 -11.893 -1.921 5.364 1.00 0.00 C ATOM 130 O ILE A 8 -11.750 -2.999 5.944 1.00 0.00 O ATOM 131 CB ILE A 8 -13.364 -1.212 7.261 1.00 0.00 C ATOM 132 CG1 ILE A 8 -14.575 -2.044 6.826 1.00 0.00 C ATOM 133 CG2 ILE A 8 -13.794 -0.021 8.109 1.00 0.00 C ATOM 134 CD1 ILE A 8 -15.301 -2.716 7.965 1.00 0.00 C ATOM 0 H ILE A 8 -14.388 -0.143 5.149 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.775 -0.052 6.369 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.723 -1.851 7.869 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -15.274 -1.398 6.294 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.244 -2.806 6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -14.361 -0.374 8.971 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.911 0.519 8.452 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -14.417 0.645 7.512 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -16.145 -3.285 7.574 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.619 -3.389 8.484 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -15.665 -1.960 8.661 1.00 0.00 H new ATOM 146 N ASN A 9 -11.425 -1.695 4.199 1.00 0.00 N ATOM 147 CA ASN A 9 -10.724 -2.664 3.480 1.00 0.00 C ATOM 148 C ASN A 9 -9.312 -2.151 3.198 1.00 0.00 C ATOM 149 O ASN A 9 -9.118 -1.023 2.728 1.00 0.00 O ATOM 150 CB ASN A 9 -11.443 -2.991 2.168 1.00 0.00 C ATOM 151 CG ASN A 9 -11.412 -1.877 1.170 1.00 0.00 C ATOM 152 OD1 ASN A 9 -12.298 -1.014 1.097 1.00 0.00 O ATOM 153 ND2 ASN A 9 -10.368 -1.859 0.434 1.00 0.00 N ATOM 0 H ASN A 9 -11.525 -0.804 3.712 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.670 -3.579 4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -10.987 -3.876 1.725 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.481 -3.243 2.386 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.238 -1.112 -0.249 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.664 -2.591 0.529 1.00 0.00 H new ATOM 160 N LEU A 10 -8.354 -2.906 3.567 1.00 0.00 N ATOM 161 CA LEU A 10 -7.003 -2.646 3.240 1.00 0.00 C ATOM 162 C LEU A 10 -6.452 -3.913 2.663 1.00 0.00 C ATOM 163 O LEU A 10 -6.215 -4.024 1.466 1.00 0.00 O ATOM 164 CB LEU A 10 -6.235 -2.195 4.476 1.00 0.00 C ATOM 165 CG LEU A 10 -6.829 -0.965 5.157 1.00 0.00 C ATOM 166 CD1 LEU A 10 -6.372 -0.876 6.582 1.00 0.00 C ATOM 167 CD2 LEU A 10 -6.434 0.286 4.403 1.00 0.00 C ATOM 0 H LEU A 10 -8.488 -3.750 4.123 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.911 -1.837 2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.204 -3.016 5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.205 -1.980 4.193 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.915 -1.056 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.807 0.008 7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.692 -1.767 7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.285 -0.804 6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.862 1.159 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.348 0.374 4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.807 0.228 3.380 1.00 0.00 H new ATOM 179 N GLN A 11 -6.412 -4.920 3.509 1.00 0.00 N ATOM 180 CA GLN A 11 -5.840 -6.202 3.185 1.00 0.00 C ATOM 181 C GLN A 11 -6.798 -7.032 2.337 1.00 0.00 C ATOM 182 O GLN A 11 -6.364 -7.817 1.525 1.00 0.00 O ATOM 183 CB GLN A 11 -5.486 -6.963 4.465 1.00 0.00 C ATOM 184 CG GLN A 11 -4.598 -8.185 4.265 1.00 0.00 C ATOM 185 CD GLN A 11 -3.098 -7.873 4.243 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.703 -6.661 3.886 1.00 0.00 O flip ATOM 187 NE2 GLN A 11 -2.288 -8.717 4.607 1.00 0.00 N flip ATOM 0 H GLN A 11 -6.784 -4.866 4.457 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.932 -6.029 2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.986 -6.278 5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.410 -7.280 4.948 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.798 -8.900 5.063 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.871 -8.669 3.327 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.608 -9.647 4.879 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.294 -8.490 4.638 1.00 0.00 H new ATOM 196 N GLU A 12 -8.097 -6.788 2.468 1.00 0.00 N ATOM 197 CA GLU A 12 -9.101 -7.622 1.786 1.00 0.00 C ATOM 198 C GLU A 12 -9.236 -7.232 0.367 1.00 0.00 C ATOM 199 O GLU A 12 -9.965 -7.826 -0.402 1.00 0.00 O ATOM 200 CB GLU A 12 -10.470 -7.680 2.494 1.00 0.00 C ATOM 201 CG GLU A 12 -10.928 -6.422 3.205 1.00 0.00 C ATOM 202 CD GLU A 12 -10.128 -6.126 4.447 1.00 0.00 C ATOM 203 OE1 GLU A 12 -10.392 -6.729 5.501 1.00 0.00 O ATOM 204 OE2 GLU A 12 -9.212 -5.287 4.384 1.00 0.00 O ATOM 0 H GLU A 12 -8.484 -6.031 3.031 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.719 -8.642 1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.224 -7.945 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.441 -8.490 3.223 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.854 -5.577 2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.980 -6.524 3.472 1.00 0.00 H new ATOM 211 N ILE A 13 -8.587 -6.187 0.058 1.00 0.00 N ATOM 212 CA ILE A 13 -8.466 -5.756 -1.252 1.00 0.00 C ATOM 213 C ILE A 13 -7.062 -6.028 -1.744 1.00 0.00 C ATOM 214 O ILE A 13 -6.884 -6.623 -2.793 1.00 0.00 O ATOM 215 CB ILE A 13 -8.860 -4.303 -1.387 1.00 0.00 C ATOM 216 CG1 ILE A 13 -10.399 -4.162 -1.375 1.00 0.00 C ATOM 217 CG2 ILE A 13 -8.249 -3.686 -2.592 1.00 0.00 C ATOM 218 CD1 ILE A 13 -11.132 -4.926 -2.446 1.00 0.00 C ATOM 0 H ILE A 13 -8.112 -5.594 0.739 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.156 -6.315 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.471 -3.756 -0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.768 -4.490 -0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -10.650 -3.106 -1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.552 -2.641 -2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -7.163 -3.744 -2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.583 -4.219 -3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -12.204 -4.756 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.801 -4.585 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.922 -5.990 -2.342 1.00 0.00 H new ATOM 230 N LEU A 14 -6.069 -5.645 -0.913 1.00 0.00 N ATOM 231 CA LEU A 14 -4.630 -5.808 -1.204 1.00 0.00 C ATOM 232 C LEU A 14 -4.280 -7.262 -1.544 1.00 0.00 C ATOM 233 O LEU A 14 -3.275 -7.552 -2.184 1.00 0.00 O ATOM 234 CB LEU A 14 -3.833 -5.389 0.008 1.00 0.00 C ATOM 235 CG LEU A 14 -2.333 -5.317 -0.163 1.00 0.00 C ATOM 236 CD1 LEU A 14 -1.948 -4.191 -1.110 1.00 0.00 C ATOM 237 CD2 LEU A 14 -1.686 -5.141 1.169 1.00 0.00 C ATOM 0 H LEU A 14 -6.248 -5.208 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.388 -5.187 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.187 -4.409 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.051 -6.086 0.817 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.982 -6.250 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.864 -4.160 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.404 -4.364 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.300 -3.241 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.604 -5.089 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.043 -4.219 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.937 -5.986 1.810 1.00 0.00 H new ATOM 249 N GLU A 15 -5.121 -8.140 -1.081 1.00 0.00 N ATOM 250 CA GLU A 15 -5.039 -9.550 -1.286 1.00 0.00 C ATOM 251 C GLU A 15 -5.011 -9.953 -2.792 1.00 0.00 C ATOM 252 O GLU A 15 -4.433 -10.980 -3.142 1.00 0.00 O ATOM 253 CB GLU A 15 -6.181 -10.186 -0.488 1.00 0.00 C ATOM 254 CG GLU A 15 -6.434 -11.669 -0.684 1.00 0.00 C ATOM 255 CD GLU A 15 -7.648 -12.140 0.094 1.00 0.00 C ATOM 256 OE1 GLU A 15 -8.784 -11.929 -0.359 1.00 0.00 O ATOM 257 OE2 GLU A 15 -7.478 -12.724 1.189 1.00 0.00 O ATOM 0 H GLU A 15 -5.928 -7.871 -0.518 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.086 -9.932 -0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.987 -10.015 0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.100 -9.653 -0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.579 -11.876 -1.744 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.557 -12.233 -0.366 1.00 0.00 H new ATOM 264 N ASN A 16 -5.590 -9.150 -3.673 1.00 0.00 N ATOM 265 CA ASN A 16 -5.582 -9.462 -5.115 1.00 0.00 C ATOM 266 C ASN A 16 -5.637 -8.182 -5.914 1.00 0.00 C ATOM 267 O ASN A 16 -6.480 -7.366 -5.648 1.00 0.00 O ATOM 268 CB ASN A 16 -6.799 -10.314 -5.526 1.00 0.00 C ATOM 269 CG ASN A 16 -6.837 -11.720 -4.963 1.00 0.00 C ATOM 270 OD1 ASN A 16 -7.550 -11.912 -3.890 1.00 0.00 O flip ATOM 271 ND2 ASN A 16 -6.277 -12.636 -5.538 1.00 0.00 N flip ATOM 0 H ASN A 16 -6.070 -8.283 -3.429 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.667 -10.019 -5.315 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.705 -9.794 -5.216 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.824 -10.377 -6.614 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.726 -12.451 -6.376 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.359 -13.588 -5.181 1.00 0.00 H new ATOM 278 N LYS A 17 -4.775 -8.014 -6.931 1.00 0.00 N ATOM 279 CA LYS A 17 -4.781 -6.785 -7.767 1.00 0.00 C ATOM 280 C LYS A 17 -6.113 -6.541 -8.458 1.00 0.00 C ATOM 281 O LYS A 17 -6.429 -5.422 -8.842 1.00 0.00 O ATOM 282 CB LYS A 17 -3.617 -6.658 -8.781 1.00 0.00 C ATOM 283 CG LYS A 17 -3.570 -7.638 -9.953 1.00 0.00 C ATOM 284 CD LYS A 17 -3.004 -8.980 -9.572 1.00 0.00 C ATOM 285 CE LYS A 17 -2.704 -9.816 -10.789 1.00 0.00 C ATOM 286 NZ LYS A 17 -1.660 -9.210 -11.653 1.00 0.00 N ATOM 0 H LYS A 17 -4.070 -8.701 -7.198 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.619 -5.998 -7.031 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.642 -5.649 -9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.682 -6.754 -8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.577 -7.773 -10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.968 -7.210 -10.754 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.092 -8.840 -8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.712 -9.507 -8.932 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.379 -10.807 -10.473 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.618 -9.949 -11.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.285 -9.931 -12.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.074 -8.431 -12.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.888 -8.843 -11.060 1.00 0.00 H new ATOM 300 N ARG A 18 -6.891 -7.581 -8.607 1.00 0.00 N ATOM 301 CA ARG A 18 -8.225 -7.433 -9.143 1.00 0.00 C ATOM 302 C ARG A 18 -9.144 -6.764 -8.100 1.00 0.00 C ATOM 303 O ARG A 18 -9.981 -5.890 -8.412 1.00 0.00 O ATOM 304 CB ARG A 18 -8.796 -8.759 -9.732 1.00 0.00 C ATOM 305 CG ARG A 18 -8.641 -10.054 -8.901 1.00 0.00 C ATOM 306 CD ARG A 18 -7.254 -10.718 -9.083 1.00 0.00 C ATOM 307 NE ARG A 18 -7.195 -12.049 -8.468 1.00 0.00 N ATOM 308 CZ ARG A 18 -6.368 -13.049 -8.840 1.00 0.00 C ATOM 309 NH1 ARG A 18 -5.627 -12.947 -9.945 1.00 0.00 N ATOM 310 NH2 ARG A 18 -6.320 -14.157 -8.119 1.00 0.00 N ATOM 0 H ARG A 18 -6.629 -8.537 -8.367 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.175 -6.766 -10.003 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.859 -8.609 -9.920 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.322 -8.925 -10.699 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.794 -9.825 -7.846 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.419 -10.761 -9.189 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.028 -10.800 -10.146 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.487 -10.081 -8.643 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.833 -12.234 -7.694 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.681 -12.106 -10.520 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.006 -13.710 -10.215 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.905 -14.251 -7.289 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.698 -14.917 -8.393 1.00 0.00 H new ATOM 324 N LEU A 19 -8.896 -7.082 -6.853 1.00 0.00 N ATOM 325 CA LEU A 19 -9.597 -6.459 -5.773 1.00 0.00 C ATOM 326 C LEU A 19 -9.042 -5.043 -5.581 1.00 0.00 C ATOM 327 O LEU A 19 -9.745 -4.146 -5.125 1.00 0.00 O ATOM 328 CB LEU A 19 -9.470 -7.269 -4.485 1.00 0.00 C ATOM 329 CG LEU A 19 -10.090 -8.667 -4.467 1.00 0.00 C ATOM 330 CD1 LEU A 19 -9.848 -9.319 -3.118 1.00 0.00 C ATOM 331 CD2 LEU A 19 -11.586 -8.600 -4.753 1.00 0.00 C ATOM 0 H LEU A 19 -8.206 -7.776 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.659 -6.411 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.410 -7.368 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.920 -6.691 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.619 -9.265 -5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.292 -10.315 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.776 -9.398 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.303 -8.713 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.005 -9.606 -4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.075 -7.990 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.749 -8.156 -5.735 1.00 0.00 H new ATOM 343 N LEU A 20 -7.776 -4.838 -5.965 1.00 0.00 N ATOM 344 CA LEU A 20 -7.181 -3.504 -5.925 1.00 0.00 C ATOM 345 C LEU A 20 -7.934 -2.632 -6.845 1.00 0.00 C ATOM 346 O LEU A 20 -8.319 -1.557 -6.478 1.00 0.00 O ATOM 347 CB LEU A 20 -5.697 -3.476 -6.283 1.00 0.00 C ATOM 348 CG LEU A 20 -4.692 -3.723 -5.155 1.00 0.00 C ATOM 349 CD1 LEU A 20 -4.845 -5.059 -4.501 1.00 0.00 C ATOM 350 CD2 LEU A 20 -3.312 -3.566 -5.654 1.00 0.00 C ATOM 0 H LEU A 20 -7.153 -5.572 -6.303 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.244 -3.152 -4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.524 -4.224 -7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.476 -2.504 -6.723 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.903 -2.974 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.101 -5.165 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.843 -5.142 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.703 -5.845 -5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.609 -3.745 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.131 -4.283 -6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.176 -2.554 -6.036 1.00 0.00 H new ATOM 362 N GLU A 21 -8.206 -3.159 -8.026 1.00 0.00 N ATOM 363 CA GLU A 21 -9.034 -2.503 -9.009 1.00 0.00 C ATOM 364 C GLU A 21 -10.411 -2.135 -8.426 1.00 0.00 C ATOM 365 O GLU A 21 -11.030 -1.152 -8.855 1.00 0.00 O ATOM 366 CB GLU A 21 -9.171 -3.382 -10.241 1.00 0.00 C ATOM 367 CG GLU A 21 -7.940 -3.404 -11.136 1.00 0.00 C ATOM 368 CD GLU A 21 -7.641 -2.051 -11.756 1.00 0.00 C ATOM 369 OE1 GLU A 21 -8.371 -1.636 -12.688 1.00 0.00 O ATOM 370 OE2 GLU A 21 -6.690 -1.388 -11.337 1.00 0.00 O ATOM 0 H GLU A 21 -7.851 -4.066 -8.328 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.552 -1.570 -9.302 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.393 -4.401 -9.923 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.024 -3.038 -10.825 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.078 -3.730 -10.554 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.085 -4.138 -11.929 1.00 0.00 H new ATOM 377 N SER A 22 -10.883 -2.927 -7.463 1.00 0.00 N ATOM 378 CA SER A 22 -12.100 -2.604 -6.727 1.00 0.00 C ATOM 379 C SER A 22 -11.964 -1.298 -5.859 1.00 0.00 C ATOM 380 O SER A 22 -12.807 -0.415 -5.964 1.00 0.00 O ATOM 381 CB SER A 22 -12.559 -3.794 -5.880 1.00 0.00 C ATOM 382 OG SER A 22 -12.751 -4.943 -6.695 1.00 0.00 O ATOM 0 H SER A 22 -10.438 -3.799 -7.176 1.00 0.00 H new ATOM 0 HA SER A 22 -12.869 -2.395 -7.470 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.817 -4.007 -5.110 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.488 -3.546 -5.367 1.00 0.00 H new ATOM 0 HG SER A 22 -13.042 -5.694 -6.138 1.00 0.00 H new ATOM 388 N TYR A 23 -10.909 -1.145 -5.020 1.00 0.00 N ATOM 389 CA TYR A 23 -10.808 0.125 -4.215 1.00 0.00 C ATOM 390 C TYR A 23 -9.825 1.097 -4.889 1.00 0.00 C ATOM 391 O TYR A 23 -9.324 2.063 -4.281 1.00 0.00 O ATOM 392 CB TYR A 23 -10.429 -0.084 -2.679 1.00 0.00 C ATOM 393 CG TYR A 23 -8.927 -0.231 -2.291 1.00 0.00 C ATOM 394 CD1 TYR A 23 -7.929 -0.616 -3.190 1.00 0.00 C ATOM 395 CD2 TYR A 23 -8.537 0.051 -0.995 1.00 0.00 C ATOM 396 CE1 TYR A 23 -6.609 -0.719 -2.784 1.00 0.00 C ATOM 397 CE2 TYR A 23 -7.229 -0.048 -0.573 1.00 0.00 C ATOM 398 CZ TYR A 23 -6.270 -0.437 -1.476 1.00 0.00 C ATOM 399 OH TYR A 23 -4.984 -0.556 -1.073 1.00 0.00 O ATOM 0 H TYR A 23 -10.160 -1.823 -4.879 1.00 0.00 H new ATOM 0 HA TYR A 23 -11.812 0.549 -4.203 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -10.833 0.761 -2.121 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -10.949 -0.975 -2.329 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.190 -0.836 -4.215 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.288 0.362 -0.284 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.847 -1.019 -3.488 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.963 0.176 0.449 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.386 -0.374 -1.828 1.00 0.00 H new ATOM 409 N MET A 24 -9.575 0.851 -6.134 1.00 0.00 N ATOM 410 CA MET A 24 -8.599 1.593 -6.891 1.00 0.00 C ATOM 411 C MET A 24 -9.011 3.027 -7.076 1.00 0.00 C ATOM 412 O MET A 24 -8.199 3.864 -7.388 1.00 0.00 O ATOM 413 CB MET A 24 -8.273 0.922 -8.209 1.00 0.00 C ATOM 414 CG MET A 24 -6.889 1.262 -8.738 1.00 0.00 C ATOM 415 SD MET A 24 -5.585 0.872 -7.550 1.00 0.00 S ATOM 416 CE MET A 24 -4.121 1.215 -8.523 1.00 0.00 C ATOM 0 H MET A 24 -10.045 0.120 -6.668 1.00 0.00 H new ATOM 0 HA MET A 24 -7.679 1.598 -6.306 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.351 -0.158 -8.086 1.00 0.00 H new ATOM 0 HB3 MET A 24 -9.018 1.213 -8.950 1.00 0.00 H new ATOM 0 HG2 MET A 24 -6.711 0.713 -9.663 1.00 0.00 H new ATOM 0 HG3 MET A 24 -6.847 2.323 -8.984 1.00 0.00 H new ATOM 0 HE1 MET A 24 -3.460 0.348 -8.504 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.410 1.429 -9.552 1.00 0.00 H new ATOM 0 HE3 MET A 24 -3.601 2.077 -8.106 1.00 0.00 H new ATOM 426 N ASP A 25 -10.284 3.309 -6.941 1.00 0.00 N ATOM 427 CA ASP A 25 -10.734 4.686 -6.982 1.00 0.00 C ATOM 428 C ASP A 25 -10.236 5.437 -5.765 1.00 0.00 C ATOM 429 O ASP A 25 -9.952 6.621 -5.832 1.00 0.00 O ATOM 430 CB ASP A 25 -12.236 4.795 -7.092 1.00 0.00 C ATOM 431 CG ASP A 25 -12.688 6.214 -7.298 1.00 0.00 C ATOM 432 OD1 ASP A 25 -12.441 6.752 -8.390 1.00 0.00 O ATOM 433 OD2 ASP A 25 -13.292 6.810 -6.383 1.00 0.00 O ATOM 0 H ASP A 25 -11.021 2.617 -6.803 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.313 5.138 -7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.583 4.180 -7.922 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.695 4.397 -6.187 1.00 0.00 H new ATOM 438 N CYS A 26 -10.078 4.716 -4.674 1.00 0.00 N ATOM 439 CA CYS A 26 -9.585 5.285 -3.452 1.00 0.00 C ATOM 440 C CYS A 26 -8.134 5.636 -3.654 1.00 0.00 C ATOM 441 O CYS A 26 -7.688 6.733 -3.315 1.00 0.00 O ATOM 442 CB CYS A 26 -9.648 4.299 -2.252 1.00 0.00 C ATOM 443 SG CYS A 26 -11.238 3.485 -1.814 1.00 0.00 S ATOM 0 H CYS A 26 -10.290 3.720 -4.617 1.00 0.00 H new ATOM 0 HA CYS A 26 -10.211 6.147 -3.221 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -8.921 3.509 -2.443 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -9.307 4.840 -1.369 1.00 0.00 H new ATOM 448 N VAL A 27 -7.396 4.679 -4.199 1.00 0.00 N ATOM 449 CA VAL A 27 -5.977 4.852 -4.377 1.00 0.00 C ATOM 450 C VAL A 27 -5.619 5.673 -5.622 1.00 0.00 C ATOM 451 O VAL A 27 -4.923 6.671 -5.514 1.00 0.00 O ATOM 452 CB VAL A 27 -5.241 3.481 -4.416 1.00 0.00 C ATOM 453 CG1 VAL A 27 -3.733 3.660 -4.592 1.00 0.00 C ATOM 454 CG2 VAL A 27 -5.529 2.695 -3.148 1.00 0.00 C ATOM 0 H VAL A 27 -7.762 3.783 -4.521 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.638 5.418 -3.510 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.615 2.926 -5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.251 2.683 -4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.536 4.184 -5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.336 4.241 -3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.009 1.738 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.183 3.261 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.602 2.522 -3.063 1.00 0.00 H new ATOM 464 N LEU A 28 -6.098 5.276 -6.789 1.00 0.00 N ATOM 465 CA LEU A 28 -5.661 5.939 -7.993 1.00 0.00 C ATOM 466 C LEU A 28 -6.699 6.876 -8.569 1.00 0.00 C ATOM 467 O LEU A 28 -6.361 7.920 -9.127 1.00 0.00 O ATOM 468 CB LEU A 28 -5.180 4.928 -9.033 1.00 0.00 C ATOM 469 CG LEU A 28 -4.326 5.491 -10.173 1.00 0.00 C ATOM 470 CD1 LEU A 28 -3.020 6.052 -9.636 1.00 0.00 C ATOM 471 CD2 LEU A 28 -4.047 4.428 -11.212 1.00 0.00 C ATOM 0 H LEU A 28 -6.770 4.520 -6.922 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.817 6.567 -7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.604 4.157 -8.521 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.053 4.440 -9.467 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.886 6.298 -10.646 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.427 6.447 -10.461 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.232 6.851 -8.926 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.463 5.260 -9.135 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.439 4.851 -12.012 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.512 3.599 -10.749 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.989 4.067 -11.625 1.00 0.00 H new ATOM 483 N GLY A 29 -7.944 6.522 -8.423 1.00 0.00 N ATOM 484 CA GLY A 29 -8.992 7.279 -9.057 1.00 0.00 C ATOM 485 C GLY A 29 -9.417 6.564 -10.312 1.00 0.00 C ATOM 486 O GLY A 29 -8.884 6.807 -11.401 1.00 0.00 O ATOM 0 H GLY A 29 -8.259 5.721 -7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.839 7.390 -8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.641 8.283 -9.295 1.00 0.00 H new ATOM 490 N LYS A 30 -10.336 5.648 -10.151 1.00 0.00 N ATOM 491 CA LYS A 30 -10.797 4.781 -11.229 1.00 0.00 C ATOM 492 C LYS A 30 -12.286 4.480 -11.121 1.00 0.00 C ATOM 493 O LYS A 30 -13.090 4.993 -11.898 1.00 0.00 O ATOM 494 CB LYS A 30 -10.055 3.425 -11.264 1.00 0.00 C ATOM 495 CG LYS A 30 -8.595 3.454 -11.673 1.00 0.00 C ATOM 496 CD LYS A 30 -8.092 2.028 -11.856 1.00 0.00 C ATOM 497 CE LYS A 30 -6.663 1.964 -12.372 1.00 0.00 C ATOM 498 NZ LYS A 30 -6.542 2.535 -13.728 1.00 0.00 N ATOM 0 H LYS A 30 -10.798 5.473 -9.259 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.586 5.338 -12.142 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.121 2.976 -10.273 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.587 2.765 -11.949 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.477 4.015 -12.600 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.003 3.965 -10.914 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.152 1.502 -10.903 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.747 1.504 -12.551 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.006 2.505 -11.690 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.327 0.927 -12.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.605 2.308 -14.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.279 2.132 -14.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.656 3.568 -13.681 1.00 0.00 H new ATOM 512 N GLY A 31 -12.646 3.661 -10.146 1.00 0.00 N ATOM 513 CA GLY A 31 -14.028 3.168 -10.075 1.00 0.00 C ATOM 514 C GLY A 31 -14.890 3.805 -9.002 1.00 0.00 C ATOM 515 O GLY A 31 -15.372 4.930 -9.164 1.00 0.00 O ATOM 0 H GLY A 31 -12.027 3.326 -9.408 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.504 3.329 -11.043 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.004 2.091 -9.907 1.00 0.00 H new ATOM 519 N LYS A 32 -15.099 3.088 -7.919 1.00 0.00 N ATOM 520 CA LYS A 32 -15.934 3.561 -6.832 1.00 0.00 C ATOM 521 C LYS A 32 -15.242 3.350 -5.499 1.00 0.00 C ATOM 522 O LYS A 32 -14.494 2.386 -5.336 1.00 0.00 O ATOM 523 CB LYS A 32 -17.339 2.922 -6.874 1.00 0.00 C ATOM 524 CG LYS A 32 -17.359 1.400 -6.881 1.00 0.00 C ATOM 525 CD LYS A 32 -18.778 0.871 -7.034 1.00 0.00 C ATOM 526 CE LYS A 32 -18.810 -0.649 -7.053 1.00 0.00 C ATOM 527 NZ LYS A 32 -20.180 -1.171 -7.271 1.00 0.00 N ATOM 0 H LYS A 32 -14.697 2.163 -7.766 1.00 0.00 H new ATOM 0 HA LYS A 32 -16.083 4.634 -6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -17.906 3.273 -6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.857 3.280 -7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.739 1.029 -7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.925 1.023 -5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -19.394 1.238 -6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -19.213 1.256 -7.956 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -18.152 -1.016 -7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -18.422 -1.032 -6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -20.158 -2.211 -7.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -20.803 -0.842 -6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -20.542 -0.827 -8.183 1.00 0.00 H new ATOM 541 N CYS A 33 -15.529 4.246 -4.577 1.00 0.00 N ATOM 542 CA CYS A 33 -14.888 4.385 -3.266 1.00 0.00 C ATOM 543 C CYS A 33 -15.540 5.483 -2.492 1.00 0.00 C ATOM 544 O CYS A 33 -16.297 6.290 -3.046 1.00 0.00 O ATOM 545 CB CYS A 33 -13.406 4.698 -3.390 1.00 0.00 C ATOM 546 SG CYS A 33 -12.307 3.271 -3.504 1.00 0.00 S ATOM 0 H CYS A 33 -16.259 4.943 -4.722 1.00 0.00 H new ATOM 0 HA CYS A 33 -15.002 3.431 -2.750 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -13.258 5.318 -4.274 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -13.107 5.295 -2.528 1.00 0.00 H new ATOM 551 N THR A 34 -15.274 5.498 -1.223 1.00 0.00 N ATOM 552 CA THR A 34 -15.840 6.446 -0.345 1.00 0.00 C ATOM 553 C THR A 34 -14.732 7.433 0.109 1.00 0.00 C ATOM 554 O THR A 34 -13.619 6.987 0.373 1.00 0.00 O ATOM 555 CB THR A 34 -16.456 5.674 0.824 1.00 0.00 C ATOM 556 OG1 THR A 34 -17.194 4.560 0.278 1.00 0.00 O ATOM 557 CG2 THR A 34 -17.422 6.528 1.552 1.00 0.00 C ATOM 0 H THR A 34 -14.645 4.835 -0.770 1.00 0.00 H new ATOM 0 HA THR A 34 -16.621 7.039 -0.821 1.00 0.00 H new ATOM 0 HB THR A 34 -15.664 5.352 1.501 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.599 4.046 1.008 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.852 5.966 2.381 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.910 7.409 1.938 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.216 6.839 0.873 1.00 0.00 H new ATOM 565 N PRO A 35 -15.012 8.770 0.185 1.00 0.00 N ATOM 566 CA PRO A 35 -14.014 9.821 0.555 1.00 0.00 C ATOM 567 C PRO A 35 -13.192 9.483 1.812 1.00 0.00 C ATOM 568 O PRO A 35 -11.958 9.457 1.770 1.00 0.00 O ATOM 569 CB PRO A 35 -14.892 11.065 0.810 1.00 0.00 C ATOM 570 CG PRO A 35 -16.298 10.552 0.820 1.00 0.00 C ATOM 571 CD PRO A 35 -16.308 9.387 -0.102 1.00 0.00 C ATOM 0 HA PRO A 35 -13.266 9.945 -0.228 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.638 11.539 1.758 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.751 11.814 0.031 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.600 10.258 1.825 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.997 11.320 0.488 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.138 8.710 0.102 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.394 9.691 -1.145 1.00 0.00 H new ATOM 579 N GLU A 36 -13.887 9.182 2.899 1.00 0.00 N ATOM 580 CA GLU A 36 -13.265 8.817 4.174 1.00 0.00 C ATOM 581 C GLU A 36 -12.361 7.598 3.993 1.00 0.00 C ATOM 582 O GLU A 36 -11.234 7.533 4.539 1.00 0.00 O ATOM 583 CB GLU A 36 -14.364 8.523 5.181 1.00 0.00 C ATOM 584 CG GLU A 36 -13.900 8.067 6.543 1.00 0.00 C ATOM 585 CD GLU A 36 -15.056 7.887 7.482 1.00 0.00 C ATOM 586 OE1 GLU A 36 -15.853 6.941 7.298 1.00 0.00 O ATOM 587 OE2 GLU A 36 -15.197 8.675 8.426 1.00 0.00 O ATOM 0 H GLU A 36 -14.907 9.183 2.927 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.648 9.640 4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.967 9.422 5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.017 7.756 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.356 7.127 6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.204 8.798 6.956 1.00 0.00 H new ATOM 594 N GLY A 37 -12.842 6.665 3.188 1.00 0.00 N ATOM 595 CA GLY A 37 -12.100 5.488 2.879 1.00 0.00 C ATOM 596 C GLY A 37 -10.836 5.824 2.133 1.00 0.00 C ATOM 597 O GLY A 37 -9.789 5.264 2.408 1.00 0.00 O ATOM 0 H GLY A 37 -13.757 6.716 2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.853 4.958 3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.712 4.815 2.278 1.00 0.00 H new ATOM 601 N LYS A 38 -10.928 6.778 1.219 1.00 0.00 N ATOM 602 CA LYS A 38 -9.784 7.182 0.421 1.00 0.00 C ATOM 603 C LYS A 38 -8.692 7.782 1.288 1.00 0.00 C ATOM 604 O LYS A 38 -7.523 7.557 1.032 1.00 0.00 O ATOM 605 CB LYS A 38 -10.146 8.185 -0.696 1.00 0.00 C ATOM 606 CG LYS A 38 -11.286 7.776 -1.610 1.00 0.00 C ATOM 607 CD LYS A 38 -11.252 8.480 -2.999 1.00 0.00 C ATOM 608 CE LYS A 38 -11.360 10.021 -2.973 1.00 0.00 C ATOM 609 NZ LYS A 38 -10.121 10.706 -2.523 1.00 0.00 N ATOM 0 H LYS A 38 -11.787 7.288 1.012 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.423 6.269 -0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.401 9.138 -0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.259 8.355 -1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.253 6.697 -1.758 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.233 8.002 -1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.323 8.208 -3.501 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.069 8.087 -3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.616 10.374 -3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.180 10.306 -2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.028 11.616 -3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.170 10.874 -1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.297 10.109 -2.737 1.00 0.00 H new ATOM 623 N GLU A 39 -9.081 8.458 2.360 1.00 0.00 N ATOM 624 CA GLU A 39 -8.128 9.164 3.195 1.00 0.00 C ATOM 625 C GLU A 39 -7.328 8.186 3.997 1.00 0.00 C ATOM 626 O GLU A 39 -6.086 8.280 4.087 1.00 0.00 O ATOM 627 CB GLU A 39 -8.842 10.122 4.135 1.00 0.00 C ATOM 628 CG GLU A 39 -9.590 11.237 3.449 1.00 0.00 C ATOM 629 CD GLU A 39 -10.293 12.124 4.436 1.00 0.00 C ATOM 630 OE1 GLU A 39 -9.613 12.833 5.202 1.00 0.00 O ATOM 631 OE2 GLU A 39 -11.540 12.150 4.453 1.00 0.00 O ATOM 0 H GLU A 39 -10.050 8.531 2.669 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.464 9.736 2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.544 9.554 4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.109 10.558 4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.894 11.831 2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.318 10.815 2.756 1.00 0.00 H new ATOM 638 N LEU A 40 -8.028 7.221 4.552 1.00 0.00 N ATOM 639 CA LEU A 40 -7.403 6.237 5.378 1.00 0.00 C ATOM 640 C LEU A 40 -6.458 5.365 4.546 1.00 0.00 C ATOM 641 O LEU A 40 -5.321 5.095 4.950 1.00 0.00 O ATOM 642 CB LEU A 40 -8.471 5.429 6.168 1.00 0.00 C ATOM 643 CG LEU A 40 -9.388 4.421 5.427 1.00 0.00 C ATOM 644 CD1 LEU A 40 -8.708 3.059 5.230 1.00 0.00 C ATOM 645 CD2 LEU A 40 -10.696 4.255 6.171 1.00 0.00 C ATOM 0 H LEU A 40 -9.035 7.105 4.439 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.782 6.727 6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.947 4.877 6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.119 6.150 6.667 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.588 4.830 4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.387 2.386 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.800 3.188 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.454 2.635 6.202 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.329 3.545 5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.498 3.883 7.176 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.204 5.218 6.234 1.00 0.00 H new ATOM 657 N LYS A 41 -6.906 5.008 3.355 1.00 0.00 N ATOM 658 CA LYS A 41 -6.138 4.172 2.456 1.00 0.00 C ATOM 659 C LYS A 41 -4.957 4.910 1.871 1.00 0.00 C ATOM 660 O LYS A 41 -3.888 4.342 1.762 1.00 0.00 O ATOM 661 CB LYS A 41 -7.028 3.626 1.356 1.00 0.00 C ATOM 662 CG LYS A 41 -8.044 2.639 1.848 1.00 0.00 C ATOM 663 CD LYS A 41 -9.257 2.613 0.960 1.00 0.00 C ATOM 664 CE LYS A 41 -10.295 1.682 1.519 1.00 0.00 C ATOM 665 NZ LYS A 41 -11.550 1.695 0.747 1.00 0.00 N ATOM 0 H LYS A 41 -7.814 5.291 2.986 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.742 3.339 3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.543 4.455 0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.406 3.149 0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.599 1.645 1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.341 2.896 2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.671 3.617 0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.975 2.293 -0.043 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.895 0.668 1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.506 1.959 2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.990 0.753 0.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.201 2.397 1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.347 1.944 -0.242 1.00 0.00 H new ATOM 679 N ASP A 42 -5.143 6.175 1.518 1.00 0.00 N ATOM 680 CA ASP A 42 -4.061 6.981 0.924 1.00 0.00 C ATOM 681 C ASP A 42 -2.876 7.081 1.855 1.00 0.00 C ATOM 682 O ASP A 42 -1.760 6.771 1.463 1.00 0.00 O ATOM 683 CB ASP A 42 -4.538 8.383 0.535 1.00 0.00 C ATOM 684 CG ASP A 42 -3.420 9.249 -0.026 1.00 0.00 C ATOM 685 OD1 ASP A 42 -3.071 9.114 -1.224 1.00 0.00 O ATOM 686 OD2 ASP A 42 -2.866 10.084 0.718 1.00 0.00 O ATOM 0 H ASP A 42 -6.027 6.673 1.628 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.751 6.464 0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.333 8.299 -0.205 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.967 8.872 1.410 1.00 0.00 H new ATOM 691 N HIS A 43 -3.136 7.461 3.103 1.00 0.00 N ATOM 692 CA HIS A 43 -2.074 7.612 4.117 1.00 0.00 C ATOM 693 C HIS A 43 -1.393 6.284 4.417 1.00 0.00 C ATOM 694 O HIS A 43 -0.173 6.213 4.602 1.00 0.00 O ATOM 695 CB HIS A 43 -2.628 8.174 5.438 1.00 0.00 C ATOM 696 CG HIS A 43 -3.066 9.597 5.396 1.00 0.00 C ATOM 697 ND1 HIS A 43 -4.349 10.004 5.686 1.00 0.00 N ATOM 698 CD2 HIS A 43 -2.369 10.721 5.145 1.00 0.00 C ATOM 699 CE1 HIS A 43 -4.416 11.310 5.609 1.00 0.00 C ATOM 700 NE2 HIS A 43 -3.230 11.768 5.285 1.00 0.00 N ATOM 0 H HIS A 43 -4.073 7.673 3.446 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.350 8.310 3.695 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.474 7.561 5.747 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.862 8.070 6.206 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -5.125 9.386 5.923 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.323 10.782 4.882 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.298 11.908 5.783 1.00 0.00 H new ATOM 709 N LEU A 44 -2.178 5.251 4.454 1.00 0.00 N ATOM 710 CA LEU A 44 -1.717 3.944 4.831 1.00 0.00 C ATOM 711 C LEU A 44 -0.923 3.257 3.711 1.00 0.00 C ATOM 712 O LEU A 44 0.212 2.821 3.923 1.00 0.00 O ATOM 713 CB LEU A 44 -2.927 3.154 5.296 1.00 0.00 C ATOM 714 CG LEU A 44 -2.728 1.744 5.775 1.00 0.00 C ATOM 715 CD1 LEU A 44 -3.822 1.411 6.746 1.00 0.00 C ATOM 716 CD2 LEU A 44 -2.785 0.780 4.612 1.00 0.00 C ATOM 0 H LEU A 44 -3.170 5.289 4.221 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.000 4.013 5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.397 3.714 6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.640 3.125 4.472 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.752 1.658 6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.692 0.390 7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.781 2.099 7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.789 1.502 6.250 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.639 -0.237 4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.757 0.855 4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.000 1.026 3.897 1.00 0.00 H new ATOM 728 N GLN A 45 -1.499 3.175 2.526 1.00 0.00 N ATOM 729 CA GLN A 45 -0.806 2.580 1.388 1.00 0.00 C ATOM 730 C GLN A 45 0.458 3.418 1.024 1.00 0.00 C ATOM 731 O GLN A 45 1.401 2.923 0.423 1.00 0.00 O ATOM 732 CB GLN A 45 -1.752 2.368 0.190 1.00 0.00 C ATOM 733 CG GLN A 45 -2.978 1.447 0.474 1.00 0.00 C ATOM 734 CD GLN A 45 -2.621 0.017 0.937 1.00 0.00 C ATOM 735 OE1 GLN A 45 -1.571 -0.499 0.605 1.00 0.00 O ATOM 736 NE2 GLN A 45 -3.547 -0.657 1.647 1.00 0.00 N ATOM 0 H GLN A 45 -2.441 3.510 2.322 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.463 1.585 1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.116 3.340 -0.143 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.180 1.942 -0.635 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.598 1.917 1.237 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.582 1.381 -0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.419 -0.199 1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.376 -1.625 1.919 1.00 0.00 H new ATOM 745 N GLU A 46 0.436 4.701 1.386 1.00 0.00 N ATOM 746 CA GLU A 46 1.613 5.576 1.285 1.00 0.00 C ATOM 747 C GLU A 46 2.721 5.074 2.214 1.00 0.00 C ATOM 748 O GLU A 46 3.891 4.953 1.817 1.00 0.00 O ATOM 749 CB GLU A 46 1.216 6.979 1.705 1.00 0.00 C ATOM 750 CG GLU A 46 2.350 7.960 1.863 1.00 0.00 C ATOM 751 CD GLU A 46 1.909 9.277 2.429 1.00 0.00 C ATOM 752 OE1 GLU A 46 1.206 10.025 1.736 1.00 0.00 O ATOM 753 OE2 GLU A 46 2.268 9.587 3.587 1.00 0.00 O ATOM 0 H GLU A 46 -0.393 5.165 1.757 1.00 0.00 H new ATOM 0 HA GLU A 46 1.978 5.574 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.517 7.375 0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.679 6.917 2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.110 7.527 2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.818 8.126 0.893 1.00 0.00 H new ATOM 760 N ALA A 47 2.325 4.754 3.441 1.00 0.00 N ATOM 761 CA ALA A 47 3.226 4.278 4.491 1.00 0.00 C ATOM 762 C ALA A 47 3.832 2.943 4.128 1.00 0.00 C ATOM 763 O ALA A 47 4.850 2.546 4.676 1.00 0.00 O ATOM 764 CB ALA A 47 2.472 4.149 5.798 1.00 0.00 C ATOM 0 H ALA A 47 1.352 4.818 3.742 1.00 0.00 H new ATOM 0 HA ALA A 47 4.031 5.005 4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.149 3.794 6.575 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.070 5.121 6.083 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.654 3.439 5.678 1.00 0.00 H new ATOM 770 N LEU A 48 3.174 2.260 3.218 1.00 0.00 N ATOM 771 CA LEU A 48 3.610 0.977 2.732 1.00 0.00 C ATOM 772 C LEU A 48 4.978 1.114 2.076 1.00 0.00 C ATOM 773 O LEU A 48 5.881 0.347 2.388 1.00 0.00 O ATOM 774 CB LEU A 48 2.568 0.432 1.722 1.00 0.00 C ATOM 775 CG LEU A 48 2.648 -1.037 1.218 1.00 0.00 C ATOM 776 CD1 LEU A 48 1.485 -1.293 0.295 1.00 0.00 C ATOM 777 CD2 LEU A 48 3.943 -1.359 0.476 1.00 0.00 C ATOM 0 H LEU A 48 2.308 2.588 2.790 1.00 0.00 H new ATOM 0 HA LEU A 48 3.696 0.275 3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.584 0.564 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.605 1.076 0.843 1.00 0.00 H new ATOM 0 HG LEU A 48 2.620 -1.678 2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.527 -2.320 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.551 -1.137 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.534 -0.608 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.929 -2.400 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.034 -0.711 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.793 -1.196 1.139 1.00 0.00 H new ATOM 789 N GLU A 49 5.134 2.081 1.171 1.00 0.00 N ATOM 790 CA GLU A 49 6.378 2.153 0.438 1.00 0.00 C ATOM 791 C GLU A 49 7.298 3.327 0.833 1.00 0.00 C ATOM 792 O GLU A 49 7.918 3.306 1.888 1.00 0.00 O ATOM 793 CB GLU A 49 6.159 1.963 -1.103 1.00 0.00 C ATOM 794 CG GLU A 49 7.410 2.046 -2.000 1.00 0.00 C ATOM 795 CD GLU A 49 8.598 1.286 -1.450 1.00 0.00 C ATOM 796 OE1 GLU A 49 8.563 0.044 -1.406 1.00 0.00 O ATOM 797 OE2 GLU A 49 9.570 1.934 -1.010 1.00 0.00 O ATOM 0 H GLU A 49 4.441 2.793 0.941 1.00 0.00 H new ATOM 0 HA GLU A 49 6.967 1.293 0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.691 0.991 -1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.449 2.718 -1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.165 1.657 -2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.686 3.092 -2.129 1.00 0.00 H new ATOM 804 N THR A 50 7.324 4.364 0.050 1.00 0.00 N ATOM 805 CA THR A 50 8.315 5.410 0.253 1.00 0.00 C ATOM 806 C THR A 50 7.659 6.628 0.898 1.00 0.00 C ATOM 807 O THR A 50 8.201 7.742 0.903 1.00 0.00 O ATOM 808 CB THR A 50 8.953 5.797 -1.107 1.00 0.00 C ATOM 809 OG1 THR A 50 9.168 4.612 -1.894 1.00 0.00 O ATOM 810 CG2 THR A 50 10.302 6.484 -0.908 1.00 0.00 C ATOM 0 H THR A 50 6.684 4.519 -0.729 1.00 0.00 H new ATOM 0 HA THR A 50 9.097 5.042 0.917 1.00 0.00 H new ATOM 0 HB THR A 50 8.271 6.481 -1.612 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.401 3.865 -1.304 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.725 6.743 -1.879 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.165 7.390 -0.318 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.980 5.809 -0.385 1.00 0.00 H new ATOM 818 N GLY A 51 6.512 6.402 1.472 1.00 0.00 N ATOM 819 CA GLY A 51 5.781 7.458 2.071 1.00 0.00 C ATOM 820 C GLY A 51 6.218 7.729 3.479 1.00 0.00 C ATOM 821 O GLY A 51 7.282 8.297 3.705 1.00 0.00 O ATOM 0 H GLY A 51 6.068 5.485 1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.901 8.363 1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.719 7.211 2.064 1.00 0.00 H new ATOM 825 N CYS A 52 5.437 7.312 4.424 1.00 0.00 N ATOM 826 CA CYS A 52 5.759 7.572 5.798 1.00 0.00 C ATOM 827 C CYS A 52 5.305 6.434 6.699 1.00 0.00 C ATOM 828 O CYS A 52 4.164 6.411 7.176 1.00 0.00 O ATOM 829 CB CYS A 52 5.168 8.910 6.235 1.00 0.00 C ATOM 830 SG CYS A 52 5.498 9.368 7.959 1.00 0.00 S ATOM 0 H CYS A 52 4.573 6.791 4.274 1.00 0.00 H new ATOM 0 HA CYS A 52 6.843 7.635 5.892 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.560 9.693 5.586 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.089 8.880 6.083 1.00 0.00 H new ATOM 835 N GLU A 53 6.198 5.481 6.895 1.00 0.00 N ATOM 836 CA GLU A 53 5.946 4.292 7.711 1.00 0.00 C ATOM 837 C GLU A 53 5.767 4.660 9.192 1.00 0.00 C ATOM 838 O GLU A 53 4.871 4.182 9.860 1.00 0.00 O ATOM 839 CB GLU A 53 7.113 3.295 7.526 1.00 0.00 C ATOM 840 CG GLU A 53 8.493 3.925 7.725 1.00 0.00 C ATOM 841 CD GLU A 53 9.632 2.957 7.581 1.00 0.00 C ATOM 842 OE1 GLU A 53 10.034 2.334 8.590 1.00 0.00 O ATOM 843 OE2 GLU A 53 10.190 2.833 6.487 1.00 0.00 O ATOM 0 H GLU A 53 7.134 5.505 6.489 1.00 0.00 H new ATOM 0 HA GLU A 53 5.017 3.826 7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.993 2.473 8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.059 2.867 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.621 4.731 7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.536 4.376 8.716 1.00 0.00 H new ATOM 850 N LYS A 54 6.581 5.580 9.658 1.00 0.00 N ATOM 851 CA LYS A 54 6.608 5.985 11.064 1.00 0.00 C ATOM 852 C LYS A 54 5.646 7.121 11.397 1.00 0.00 C ATOM 853 O LYS A 54 5.805 7.787 12.418 1.00 0.00 O ATOM 854 CB LYS A 54 8.056 6.296 11.523 1.00 0.00 C ATOM 855 CG LYS A 54 8.933 7.073 10.521 1.00 0.00 C ATOM 856 CD LYS A 54 8.478 8.505 10.256 1.00 0.00 C ATOM 857 CE LYS A 54 8.648 9.404 11.471 1.00 0.00 C ATOM 858 NZ LYS A 54 8.297 10.807 11.170 1.00 0.00 N ATOM 0 H LYS A 54 7.253 6.079 9.075 1.00 0.00 H new ATOM 0 HA LYS A 54 6.244 5.131 11.635 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.007 6.867 12.450 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.552 5.354 11.755 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.957 7.094 10.895 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.950 6.530 9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.047 8.915 9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.430 8.500 9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.020 9.039 12.284 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.680 9.354 11.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.426 11.388 12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.913 11.164 10.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.305 10.858 10.863 1.00 0.00 H new ATOM 872 N CYS A 55 4.658 7.329 10.558 1.00 0.00 N ATOM 873 CA CYS A 55 3.692 8.396 10.766 1.00 0.00 C ATOM 874 C CYS A 55 2.731 8.197 11.952 1.00 0.00 C ATOM 875 O CYS A 55 3.120 8.356 13.114 1.00 0.00 O ATOM 876 CB CYS A 55 2.959 8.750 9.500 1.00 0.00 C ATOM 877 SG CYS A 55 3.716 10.102 8.551 1.00 0.00 S ATOM 0 H CYS A 55 4.497 6.773 9.718 1.00 0.00 H new ATOM 0 HA CYS A 55 4.301 9.252 11.057 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.903 7.865 8.867 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.935 9.027 9.752 1.00 0.00 H new ATOM 882 N THR A 56 1.506 7.828 11.687 1.00 0.00 N ATOM 883 CA THR A 56 0.530 7.679 12.731 1.00 0.00 C ATOM 884 C THR A 56 0.475 6.228 13.168 1.00 0.00 C ATOM 885 O THR A 56 1.207 5.395 12.616 1.00 0.00 O ATOM 886 CB THR A 56 -0.850 8.150 12.230 1.00 0.00 C ATOM 887 OG1 THR A 56 -1.181 7.449 11.019 1.00 0.00 O ATOM 888 CG2 THR A 56 -0.836 9.650 11.954 1.00 0.00 C ATOM 0 H THR A 56 1.160 7.624 10.750 1.00 0.00 H new ATOM 0 HA THR A 56 0.812 8.293 13.586 1.00 0.00 H new ATOM 0 HB THR A 56 -1.593 7.940 13.000 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.894 7.978 10.246 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.818 9.964 11.601 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.591 10.186 12.871 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.089 9.873 11.192 1.00 0.00 H new ATOM 896 N GLU A 57 -0.371 5.908 14.128 1.00 0.00 N ATOM 897 CA GLU A 57 -0.508 4.540 14.572 1.00 0.00 C ATOM 898 C GLU A 57 -1.233 3.754 13.489 1.00 0.00 C ATOM 899 O GLU A 57 -0.913 2.604 13.215 1.00 0.00 O ATOM 900 CB GLU A 57 -1.242 4.414 15.945 1.00 0.00 C ATOM 901 CG GLU A 57 -2.726 4.835 15.979 1.00 0.00 C ATOM 902 CD GLU A 57 -2.965 6.320 15.847 1.00 0.00 C ATOM 903 OE1 GLU A 57 -2.837 6.867 14.727 1.00 0.00 O ATOM 904 OE2 GLU A 57 -3.278 6.982 16.864 1.00 0.00 O ATOM 0 H GLU A 57 -0.971 6.576 14.612 1.00 0.00 H new ATOM 0 HA GLU A 57 0.489 4.131 14.736 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.175 3.377 16.273 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.701 5.015 16.676 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.253 4.323 15.174 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.165 4.492 16.916 1.00 0.00 H new ATOM 911 N ALA A 58 -2.183 4.431 12.845 1.00 0.00 N ATOM 912 CA ALA A 58 -2.946 3.866 11.752 1.00 0.00 C ATOM 913 C ALA A 58 -2.024 3.561 10.586 1.00 0.00 C ATOM 914 O ALA A 58 -2.069 2.474 10.011 1.00 0.00 O ATOM 915 CB ALA A 58 -4.040 4.830 11.328 1.00 0.00 C ATOM 0 H ALA A 58 -2.440 5.391 13.074 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.413 2.938 12.082 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.608 4.396 10.505 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.706 5.018 12.170 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.592 5.769 11.004 1.00 0.00 H new ATOM 921 N GLN A 59 -1.169 4.516 10.262 1.00 0.00 N ATOM 922 CA GLN A 59 -0.213 4.344 9.195 1.00 0.00 C ATOM 923 C GLN A 59 0.819 3.289 9.510 1.00 0.00 C ATOM 924 O GLN A 59 1.099 2.473 8.665 1.00 0.00 O ATOM 925 CB GLN A 59 0.448 5.653 8.805 1.00 0.00 C ATOM 926 CG GLN A 59 -0.453 6.581 8.015 1.00 0.00 C ATOM 927 CD GLN A 59 0.152 7.952 7.823 1.00 0.00 C ATOM 928 OE1 GLN A 59 -0.079 8.854 8.617 1.00 0.00 O ATOM 929 NE2 GLN A 59 0.977 8.111 6.822 1.00 0.00 N ATOM 0 H GLN A 59 -1.122 5.422 10.729 1.00 0.00 H new ATOM 0 HA GLN A 59 -0.782 3.992 8.334 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.779 6.165 9.708 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.339 5.438 8.215 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.659 6.139 7.040 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.409 6.678 8.529 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.150 7.341 6.176 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.448 9.005 6.687 1.00 0.00 H new ATOM 938 N GLU A 60 1.381 3.294 10.720 1.00 0.00 N ATOM 939 CA GLU A 60 2.396 2.281 11.052 1.00 0.00 C ATOM 940 C GLU A 60 1.840 0.833 11.018 1.00 0.00 C ATOM 941 O GLU A 60 2.385 -0.006 10.315 1.00 0.00 O ATOM 942 CB GLU A 60 3.230 2.631 12.324 1.00 0.00 C ATOM 943 CG GLU A 60 2.526 2.579 13.679 1.00 0.00 C ATOM 944 CD GLU A 60 2.708 1.254 14.395 1.00 0.00 C ATOM 945 OE1 GLU A 60 3.834 0.965 14.867 1.00 0.00 O ATOM 946 OE2 GLU A 60 1.747 0.503 14.550 1.00 0.00 O ATOM 0 H GLU A 60 1.165 3.958 11.463 1.00 0.00 H new ATOM 0 HA GLU A 60 3.127 2.311 10.244 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.081 1.951 12.363 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.631 3.636 12.194 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.907 3.382 14.311 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.461 2.764 13.536 1.00 0.00 H new ATOM 953 N LYS A 61 0.700 0.581 11.703 1.00 0.00 N ATOM 954 CA LYS A 61 0.022 -0.756 11.693 1.00 0.00 C ATOM 955 C LYS A 61 -0.354 -1.140 10.261 1.00 0.00 C ATOM 956 O LYS A 61 -0.257 -2.318 9.818 1.00 0.00 O ATOM 957 CB LYS A 61 -1.308 -0.691 12.503 1.00 0.00 C ATOM 958 CG LYS A 61 -1.206 -0.517 14.028 1.00 0.00 C ATOM 959 CD LYS A 61 -1.187 -1.856 14.791 1.00 0.00 C ATOM 960 CE LYS A 61 0.022 -2.709 14.471 1.00 0.00 C ATOM 961 NZ LYS A 61 1.278 -2.062 14.870 1.00 0.00 N ATOM 0 H LYS A 61 0.223 1.280 12.272 1.00 0.00 H new ATOM 0 HA LYS A 61 0.709 -1.481 12.129 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.901 0.135 12.110 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.866 -1.606 12.306 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.300 0.041 14.264 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.048 0.081 14.376 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.209 -1.656 15.862 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.092 -2.415 14.552 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.068 -3.669 14.979 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.046 -2.916 13.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.043 -2.367 14.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.171 -1.029 14.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.512 -2.330 15.847 1.00 0.00 H new ATOM 975 N GLY A 62 -0.735 -0.138 9.542 1.00 0.00 N ATOM 976 CA GLY A 62 -1.261 -0.293 8.231 1.00 0.00 C ATOM 977 C GLY A 62 -0.194 -0.567 7.243 1.00 0.00 C ATOM 978 O GLY A 62 -0.395 -1.365 6.313 1.00 0.00 O ATOM 0 H GLY A 62 -0.688 0.831 9.857 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.983 -1.109 8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.799 0.611 7.945 1.00 0.00 H new ATOM 982 N ALA A 63 0.938 0.086 7.432 1.00 0.00 N ATOM 983 CA ALA A 63 2.105 -0.127 6.624 1.00 0.00 C ATOM 984 C ALA A 63 2.478 -1.569 6.709 1.00 0.00 C ATOM 985 O ALA A 63 2.545 -2.226 5.713 1.00 0.00 O ATOM 986 CB ALA A 63 3.262 0.736 7.099 1.00 0.00 C ATOM 0 H ALA A 63 1.065 0.786 8.163 1.00 0.00 H new ATOM 0 HA ALA A 63 1.886 0.150 5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.133 0.555 6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.981 1.787 7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.502 0.486 8.132 1.00 0.00 H new ATOM 992 N GLU A 64 2.625 -2.064 7.937 1.00 0.00 N ATOM 993 CA GLU A 64 2.998 -3.468 8.204 1.00 0.00 C ATOM 994 C GLU A 64 2.104 -4.431 7.425 1.00 0.00 C ATOM 995 O GLU A 64 2.574 -5.366 6.777 1.00 0.00 O ATOM 996 CB GLU A 64 2.818 -3.801 9.679 1.00 0.00 C ATOM 997 CG GLU A 64 3.366 -2.782 10.632 1.00 0.00 C ATOM 998 CD GLU A 64 3.375 -3.277 12.044 1.00 0.00 C ATOM 999 OE1 GLU A 64 3.895 -4.377 12.304 1.00 0.00 O ATOM 1000 OE2 GLU A 64 2.864 -2.610 12.914 1.00 0.00 O ATOM 0 H GLU A 64 2.490 -1.509 8.782 1.00 0.00 H new ATOM 0 HA GLU A 64 4.039 -3.579 7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.754 -3.928 9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.297 -4.759 9.880 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.381 -2.518 10.335 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.769 -1.872 10.571 1.00 0.00 H new ATOM 1007 N THR A 65 0.826 -4.177 7.505 1.00 0.00 N ATOM 1008 CA THR A 65 -0.186 -5.004 6.888 1.00 0.00 C ATOM 1009 C THR A 65 -0.110 -4.941 5.350 1.00 0.00 C ATOM 1010 O THR A 65 -0.095 -5.988 4.651 1.00 0.00 O ATOM 1011 CB THR A 65 -1.562 -4.545 7.422 1.00 0.00 C ATOM 1012 OG1 THR A 65 -1.509 -4.535 8.873 1.00 0.00 O ATOM 1013 CG2 THR A 65 -2.675 -5.477 6.979 1.00 0.00 C ATOM 0 H THR A 65 0.448 -3.375 8.009 1.00 0.00 H new ATOM 0 HA THR A 65 -0.024 -6.050 7.147 1.00 0.00 H new ATOM 0 HB THR A 65 -1.774 -3.552 7.025 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.093 -3.702 9.179 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.626 -5.121 7.374 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.720 -5.499 5.890 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.479 -6.482 7.354 1.00 0.00 H new ATOM 1021 N SER A 66 -0.033 -3.763 4.834 1.00 0.00 N ATOM 1022 CA SER A 66 0.007 -3.579 3.421 1.00 0.00 C ATOM 1023 C SER A 66 1.344 -4.015 2.783 1.00 0.00 C ATOM 1024 O SER A 66 1.361 -4.562 1.682 1.00 0.00 O ATOM 1025 CB SER A 66 -0.388 -2.177 3.103 1.00 0.00 C ATOM 1026 OG SER A 66 -1.618 -1.911 3.753 1.00 0.00 O ATOM 0 H SER A 66 0.004 -2.900 5.377 1.00 0.00 H new ATOM 0 HA SER A 66 -0.718 -4.249 2.959 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.379 -1.479 3.439 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.490 -2.045 2.026 1.00 0.00 H new ATOM 0 HG SER A 66 -1.467 -1.831 4.718 1.00 0.00 H new ATOM 1032 N ILE A 67 2.433 -3.818 3.492 1.00 0.00 N ATOM 1033 CA ILE A 67 3.746 -4.273 3.055 1.00 0.00 C ATOM 1034 C ILE A 67 3.719 -5.795 2.923 1.00 0.00 C ATOM 1035 O ILE A 67 4.270 -6.362 1.971 1.00 0.00 O ATOM 1036 CB ILE A 67 4.858 -3.817 4.076 1.00 0.00 C ATOM 1037 CG1 ILE A 67 5.004 -2.286 4.046 1.00 0.00 C ATOM 1038 CG2 ILE A 67 6.201 -4.487 3.802 1.00 0.00 C ATOM 1039 CD1 ILE A 67 5.917 -1.704 5.114 1.00 0.00 C ATOM 0 H ILE A 67 2.439 -3.337 4.391 1.00 0.00 H new ATOM 0 HA ILE A 67 3.986 -3.830 2.088 1.00 0.00 H new ATOM 0 HB ILE A 67 4.541 -4.131 5.071 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.382 -1.992 3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.015 -1.840 4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.935 -4.142 4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.091 -5.568 3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.538 -4.230 2.798 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.954 -0.620 5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.532 -1.960 6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.920 -2.114 4.998 1.00 0.00 H new ATOM 1051 N ASP A 68 3.005 -6.429 3.844 1.00 0.00 N ATOM 1052 CA ASP A 68 2.903 -7.875 3.872 1.00 0.00 C ATOM 1053 C ASP A 68 2.212 -8.429 2.619 1.00 0.00 C ATOM 1054 O ASP A 68 2.842 -9.130 1.842 1.00 0.00 O ATOM 1055 CB ASP A 68 2.150 -8.342 5.137 1.00 0.00 C ATOM 1056 CG ASP A 68 2.107 -9.859 5.316 1.00 0.00 C ATOM 1057 OD1 ASP A 68 1.309 -10.548 4.649 1.00 0.00 O ATOM 1058 OD2 ASP A 68 2.854 -10.397 6.159 1.00 0.00 O ATOM 0 H ASP A 68 2.486 -5.957 4.585 1.00 0.00 H new ATOM 0 HA ASP A 68 3.920 -8.266 3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.623 -7.897 6.013 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.129 -7.963 5.099 1.00 0.00 H new ATOM 1063 N TYR A 69 0.974 -8.033 2.328 1.00 0.00 N ATOM 1064 CA TYR A 69 0.314 -8.722 1.206 1.00 0.00 C ATOM 1065 C TYR A 69 0.846 -8.275 -0.168 1.00 0.00 C ATOM 1066 O TYR A 69 0.892 -9.073 -1.111 1.00 0.00 O ATOM 1067 CB TYR A 69 -1.240 -8.711 1.240 1.00 0.00 C ATOM 1068 CG TYR A 69 -1.807 -10.028 0.794 1.00 0.00 C ATOM 1069 CD1 TYR A 69 -1.921 -10.349 -0.542 1.00 0.00 C ATOM 1070 CD2 TYR A 69 -2.199 -10.971 1.727 1.00 0.00 C ATOM 1071 CE1 TYR A 69 -2.410 -11.575 -0.932 1.00 0.00 C ATOM 1072 CE2 TYR A 69 -2.691 -12.193 1.340 1.00 0.00 C ATOM 1073 CZ TYR A 69 -2.795 -12.489 0.008 1.00 0.00 C ATOM 1074 OH TYR A 69 -3.281 -13.720 -0.388 1.00 0.00 O ATOM 0 H TYR A 69 0.440 -7.304 2.802 1.00 0.00 H new ATOM 0 HA TYR A 69 0.595 -9.765 1.354 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.582 -8.490 2.251 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.614 -7.915 0.596 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.623 -9.630 -1.291 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.117 -10.742 2.779 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.490 -11.815 -1.982 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.994 -12.916 2.082 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.508 -14.252 0.403 1.00 0.00 H new ATOM 1084 N LEU A 70 1.304 -7.043 -0.265 1.00 0.00 N ATOM 1085 CA LEU A 70 1.774 -6.515 -1.522 1.00 0.00 C ATOM 1086 C LEU A 70 3.052 -7.222 -1.962 1.00 0.00 C ATOM 1087 O LEU A 70 3.124 -7.738 -3.051 1.00 0.00 O ATOM 1088 CB LEU A 70 2.019 -5.019 -1.403 1.00 0.00 C ATOM 1089 CG LEU A 70 2.265 -4.306 -2.709 1.00 0.00 C ATOM 1090 CD1 LEU A 70 0.999 -4.237 -3.534 1.00 0.00 C ATOM 1091 CD2 LEU A 70 2.845 -2.935 -2.496 1.00 0.00 C ATOM 0 H LEU A 70 1.359 -6.390 0.517 1.00 0.00 H new ATOM 0 HA LEU A 70 1.007 -6.691 -2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.158 -4.563 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.878 -4.858 -0.751 1.00 0.00 H new ATOM 0 HG LEU A 70 3.002 -4.887 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.203 -3.718 -4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.648 -5.247 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.232 -3.696 -2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.007 -2.455 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.154 -2.335 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.795 -3.020 -1.968 1.00 0.00 H new ATOM 1103 N ILE A 71 4.023 -7.304 -1.089 1.00 0.00 N ATOM 1104 CA ILE A 71 5.298 -7.908 -1.461 1.00 0.00 C ATOM 1105 C ILE A 71 5.156 -9.433 -1.631 1.00 0.00 C ATOM 1106 O ILE A 71 5.848 -10.060 -2.442 1.00 0.00 O ATOM 1107 CB ILE A 71 6.403 -7.582 -0.415 1.00 0.00 C ATOM 1108 CG1 ILE A 71 6.550 -6.060 -0.265 1.00 0.00 C ATOM 1109 CG2 ILE A 71 7.742 -8.203 -0.822 1.00 0.00 C ATOM 1110 CD1 ILE A 71 7.566 -5.635 0.776 1.00 0.00 C ATOM 0 H ILE A 71 3.968 -6.969 -0.127 1.00 0.00 H new ATOM 0 HA ILE A 71 5.598 -7.479 -2.417 1.00 0.00 H new ATOM 0 HB ILE A 71 6.107 -8.010 0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.834 -5.637 -1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.580 -5.636 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.498 -7.961 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.635 -9.285 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.048 -7.806 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.609 -4.547 0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.274 -6.026 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.547 -6.026 0.508 1.00 0.00 H new ATOM 1122 N LYS A 72 4.229 -10.014 -0.907 1.00 0.00 N ATOM 1123 CA LYS A 72 4.068 -11.456 -0.914 1.00 0.00 C ATOM 1124 C LYS A 72 3.101 -11.947 -1.967 1.00 0.00 C ATOM 1125 O LYS A 72 2.966 -13.161 -2.161 1.00 0.00 O ATOM 1126 CB LYS A 72 3.664 -11.916 0.455 1.00 0.00 C ATOM 1127 CG LYS A 72 4.686 -11.494 1.474 1.00 0.00 C ATOM 1128 CD LYS A 72 4.173 -11.592 2.908 1.00 0.00 C ATOM 1129 CE LYS A 72 3.581 -12.937 3.236 1.00 0.00 C ATOM 1130 NZ LYS A 72 2.929 -12.914 4.554 1.00 0.00 N ATOM 0 H LYS A 72 3.574 -9.515 -0.305 1.00 0.00 H new ATOM 0 HA LYS A 72 5.030 -11.893 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.691 -11.499 0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.559 -13.001 0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.575 -12.116 1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.990 -10.467 1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.994 -11.386 3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.420 -10.821 3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.856 -13.216 2.472 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.363 -13.696 3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.618 -13.874 4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.602 -12.571 5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.105 -12.280 4.523 1.00 0.00 H new ATOM 1144 N ASN A 73 2.425 -11.047 -2.635 1.00 0.00 N ATOM 1145 CA ASN A 73 1.539 -11.459 -3.715 1.00 0.00 C ATOM 1146 C ASN A 73 1.630 -10.513 -4.878 1.00 0.00 C ATOM 1147 O ASN A 73 2.003 -10.910 -5.973 1.00 0.00 O ATOM 1148 CB ASN A 73 0.059 -11.550 -3.283 1.00 0.00 C ATOM 1149 CG ASN A 73 -0.815 -12.243 -4.348 1.00 0.00 C ATOM 1150 OD1 ASN A 73 -0.367 -13.175 -5.013 1.00 0.00 O ATOM 1151 ND2 ASN A 73 -2.049 -11.798 -4.541 1.00 0.00 N ATOM 0 H ASN A 73 2.463 -10.042 -2.462 1.00 0.00 H new ATOM 0 HA ASN A 73 1.876 -12.455 -4.003 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.011 -12.099 -2.344 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.326 -10.548 -3.095 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.642 -12.230 -5.250 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.405 -11.024 -3.981 1.00 0.00 H new ATOM 1158 N GLU A 74 1.394 -9.243 -4.622 1.00 0.00 N ATOM 1159 CA GLU A 74 1.200 -8.300 -5.734 1.00 0.00 C ATOM 1160 C GLU A 74 2.416 -7.422 -5.989 1.00 0.00 C ATOM 1161 O GLU A 74 2.469 -6.230 -5.649 1.00 0.00 O ATOM 1162 CB GLU A 74 -0.105 -7.506 -5.594 1.00 0.00 C ATOM 1163 CG GLU A 74 -1.349 -8.387 -5.367 1.00 0.00 C ATOM 1164 CD GLU A 74 -1.658 -9.398 -6.486 1.00 0.00 C ATOM 1165 OE1 GLU A 74 -0.742 -9.873 -7.194 1.00 0.00 O ATOM 1166 OE2 GLU A 74 -2.850 -9.748 -6.659 1.00 0.00 O ATOM 0 H GLU A 74 1.331 -8.837 -3.689 1.00 0.00 H new ATOM 0 HA GLU A 74 1.093 -8.902 -6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.008 -6.810 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.254 -6.908 -6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.220 -8.934 -4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.215 -7.737 -5.239 1.00 0.00 H new ATOM 1173 N LEU A 75 3.395 -8.049 -6.563 1.00 0.00 N ATOM 1174 CA LEU A 75 4.697 -7.459 -6.819 1.00 0.00 C ATOM 1175 C LEU A 75 4.678 -6.370 -7.906 1.00 0.00 C ATOM 1176 O LEU A 75 5.395 -5.373 -7.791 1.00 0.00 O ATOM 1177 CB LEU A 75 5.706 -8.559 -7.172 1.00 0.00 C ATOM 1178 CG LEU A 75 7.170 -8.127 -7.360 1.00 0.00 C ATOM 1179 CD1 LEU A 75 7.737 -7.536 -6.074 1.00 0.00 C ATOM 1180 CD2 LEU A 75 8.007 -9.307 -7.812 1.00 0.00 C ATOM 0 H LEU A 75 3.320 -9.015 -6.881 1.00 0.00 H new ATOM 0 HA LEU A 75 5.000 -6.957 -5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.673 -9.314 -6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.374 -9.041 -8.091 1.00 0.00 H new ATOM 0 HG LEU A 75 7.202 -7.354 -8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.773 -7.239 -6.236 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.151 -6.664 -5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.693 -8.282 -5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.042 -8.990 -7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.960 -10.095 -7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.621 -9.685 -8.759 1.00 0.00 H new ATOM 1192 N GLU A 76 3.847 -6.521 -8.933 1.00 0.00 N ATOM 1193 CA GLU A 76 3.845 -5.541 -10.025 1.00 0.00 C ATOM 1194 C GLU A 76 3.202 -4.259 -9.547 1.00 0.00 C ATOM 1195 O GLU A 76 3.579 -3.156 -9.966 1.00 0.00 O ATOM 1196 CB GLU A 76 3.152 -6.046 -11.332 1.00 0.00 C ATOM 1197 CG GLU A 76 1.623 -6.212 -11.285 1.00 0.00 C ATOM 1198 CD GLU A 76 1.168 -7.350 -10.428 1.00 0.00 C ATOM 1199 OE1 GLU A 76 1.241 -7.252 -9.201 1.00 0.00 O ATOM 1200 OE2 GLU A 76 0.749 -8.389 -10.976 1.00 0.00 O ATOM 0 H GLU A 76 3.182 -7.288 -9.036 1.00 0.00 H new ATOM 0 HA GLU A 76 4.887 -5.369 -10.295 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.394 -5.351 -12.136 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.590 -7.007 -11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.177 -5.289 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.251 -6.361 -12.299 1.00 0.00 H new ATOM 1207 N ILE A 77 2.249 -4.414 -8.651 1.00 0.00 N ATOM 1208 CA ILE A 77 1.582 -3.292 -8.051 1.00 0.00 C ATOM 1209 C ILE A 77 2.579 -2.496 -7.239 1.00 0.00 C ATOM 1210 O ILE A 77 2.594 -1.272 -7.306 1.00 0.00 O ATOM 1211 CB ILE A 77 0.423 -3.732 -7.143 1.00 0.00 C ATOM 1212 CG1 ILE A 77 -0.623 -4.539 -7.937 1.00 0.00 C ATOM 1213 CG2 ILE A 77 -0.216 -2.514 -6.471 1.00 0.00 C ATOM 1214 CD1 ILE A 77 -1.390 -3.735 -8.969 1.00 0.00 C ATOM 0 H ILE A 77 1.920 -5.322 -8.323 1.00 0.00 H new ATOM 0 HA ILE A 77 1.165 -2.682 -8.852 1.00 0.00 H new ATOM 0 HB ILE A 77 0.822 -4.383 -6.365 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.120 -5.365 -8.440 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.333 -4.977 -7.236 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.036 -2.840 -5.831 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.531 -1.997 -5.869 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.599 -1.837 -7.234 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.103 -4.383 -9.479 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.925 -2.925 -8.474 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.694 -3.319 -9.697 1.00 0.00 H new ATOM 1226 N TRP A 78 3.434 -3.205 -6.499 1.00 0.00 N ATOM 1227 CA TRP A 78 4.489 -2.573 -5.718 1.00 0.00 C ATOM 1228 C TRP A 78 5.318 -1.661 -6.594 1.00 0.00 C ATOM 1229 O TRP A 78 5.542 -0.496 -6.259 1.00 0.00 O ATOM 1230 CB TRP A 78 5.388 -3.625 -5.029 1.00 0.00 C ATOM 1231 CG TRP A 78 6.630 -3.019 -4.443 1.00 0.00 C ATOM 1232 CD1 TRP A 78 6.711 -2.220 -3.347 1.00 0.00 C ATOM 1233 CD2 TRP A 78 7.970 -3.150 -4.945 1.00 0.00 C ATOM 1234 NE1 TRP A 78 8.002 -1.824 -3.157 1.00 0.00 N ATOM 1235 CE2 TRP A 78 8.797 -2.385 -4.114 1.00 0.00 C ATOM 1236 CE3 TRP A 78 8.543 -3.834 -6.020 1.00 0.00 C ATOM 1237 CZ2 TRP A 78 10.173 -2.280 -4.320 1.00 0.00 C ATOM 1238 CZ3 TRP A 78 9.906 -3.733 -6.224 1.00 0.00 C ATOM 1239 CH2 TRP A 78 10.708 -2.962 -5.377 1.00 0.00 C ATOM 0 H TRP A 78 3.412 -4.222 -6.427 1.00 0.00 H new ATOM 0 HA TRP A 78 4.016 -1.977 -4.937 1.00 0.00 H new ATOM 0 HB2 TRP A 78 4.823 -4.122 -4.241 1.00 0.00 H new ATOM 0 HB3 TRP A 78 5.667 -4.391 -5.753 1.00 0.00 H new ATOM 0 HD1 TRP A 78 5.877 -1.940 -2.720 1.00 0.00 H new ATOM 0 HE1 TRP A 78 8.324 -1.204 -2.414 1.00 0.00 H new ATOM 0 HE3 TRP A 78 7.931 -4.431 -6.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 10.793 -1.682 -3.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 10.359 -4.258 -7.052 1.00 0.00 H new ATOM 0 HH2 TRP A 78 11.771 -2.904 -5.561 1.00 0.00 H new ATOM 1250 N LYS A 79 5.692 -2.179 -7.740 1.00 0.00 N ATOM 1251 CA LYS A 79 6.521 -1.472 -8.689 1.00 0.00 C ATOM 1252 C LYS A 79 5.847 -0.189 -9.177 1.00 0.00 C ATOM 1253 O LYS A 79 6.526 0.808 -9.450 1.00 0.00 O ATOM 1254 CB LYS A 79 6.865 -2.391 -9.845 1.00 0.00 C ATOM 1255 CG LYS A 79 7.546 -3.674 -9.384 1.00 0.00 C ATOM 1256 CD LYS A 79 7.893 -4.592 -10.527 1.00 0.00 C ATOM 1257 CE LYS A 79 9.036 -4.054 -11.358 1.00 0.00 C ATOM 1258 NZ LYS A 79 9.295 -4.908 -12.523 1.00 0.00 N ATOM 0 H LYS A 79 5.426 -3.116 -8.044 1.00 0.00 H new ATOM 0 HA LYS A 79 7.443 -1.172 -8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.955 -2.642 -10.390 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.519 -1.866 -10.541 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.455 -3.422 -8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.891 -4.198 -8.688 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.160 -5.574 -10.136 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.017 -4.729 -11.161 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.802 -3.043 -11.690 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.935 -3.989 -10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.084 -4.514 -13.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.541 -5.866 -12.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.444 -4.950 -13.119 1.00 0.00 H new ATOM 1272 N GLU A 80 4.518 -0.208 -9.256 1.00 0.00 N ATOM 1273 CA GLU A 80 3.762 0.979 -9.628 1.00 0.00 C ATOM 1274 C GLU A 80 3.866 2.057 -8.545 1.00 0.00 C ATOM 1275 O GLU A 80 4.018 3.251 -8.855 1.00 0.00 O ATOM 1276 CB GLU A 80 2.302 0.656 -9.921 1.00 0.00 C ATOM 1277 CG GLU A 80 2.102 -0.274 -11.101 1.00 0.00 C ATOM 1278 CD GLU A 80 0.654 -0.432 -11.475 1.00 0.00 C ATOM 1279 OE1 GLU A 80 0.095 0.494 -12.120 1.00 0.00 O ATOM 1280 OE2 GLU A 80 0.053 -1.470 -11.177 1.00 0.00 O ATOM 0 H GLU A 80 3.946 -1.032 -9.067 1.00 0.00 H new ATOM 0 HA GLU A 80 4.204 1.365 -10.547 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.856 0.204 -9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.765 1.586 -10.109 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.655 0.109 -11.959 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.521 -1.252 -10.863 1.00 0.00 H new ATOM 1287 N LEU A 81 3.804 1.641 -7.277 1.00 0.00 N ATOM 1288 CA LEU A 81 3.971 2.580 -6.159 1.00 0.00 C ATOM 1289 C LEU A 81 5.370 3.124 -6.162 1.00 0.00 C ATOM 1290 O LEU A 81 5.577 4.324 -5.964 1.00 0.00 O ATOM 1291 CB LEU A 81 3.673 1.960 -4.780 1.00 0.00 C ATOM 1292 CG LEU A 81 2.207 1.744 -4.379 1.00 0.00 C ATOM 1293 CD1 LEU A 81 1.443 3.061 -4.321 1.00 0.00 C ATOM 1294 CD2 LEU A 81 1.490 0.754 -5.271 1.00 0.00 C ATOM 0 H LEU A 81 3.642 0.673 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 81 3.240 3.374 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.176 0.994 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.134 2.595 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 81 2.232 1.312 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.409 2.869 -4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.907 3.719 -3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.465 3.538 -5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.458 0.644 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.502 1.116 -6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.993 -0.212 -5.220 1.00 0.00 H new ATOM 1306 N THR A 82 6.317 2.239 -6.388 1.00 0.00 N ATOM 1307 CA THR A 82 7.723 2.606 -6.533 1.00 0.00 C ATOM 1308 C THR A 82 7.856 3.694 -7.601 1.00 0.00 C ATOM 1309 O THR A 82 8.363 4.760 -7.329 1.00 0.00 O ATOM 1310 CB THR A 82 8.574 1.382 -6.942 1.00 0.00 C ATOM 1311 OG1 THR A 82 8.281 0.278 -6.082 1.00 0.00 O ATOM 1312 CG2 THR A 82 10.063 1.693 -6.851 1.00 0.00 C ATOM 0 H THR A 82 6.140 1.238 -6.478 1.00 0.00 H new ATOM 0 HA THR A 82 8.085 2.975 -5.573 1.00 0.00 H new ATOM 0 HB THR A 82 8.327 1.133 -7.974 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.384 -0.062 -6.281 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.637 0.814 -7.144 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.303 2.522 -7.517 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.316 1.966 -5.826 1.00 0.00 H new ATOM 1320 N ALA A 83 7.300 3.439 -8.779 1.00 0.00 N ATOM 1321 CA ALA A 83 7.350 4.383 -9.890 1.00 0.00 C ATOM 1322 C ALA A 83 6.647 5.713 -9.558 1.00 0.00 C ATOM 1323 O ALA A 83 6.936 6.743 -10.160 1.00 0.00 O ATOM 1324 CB ALA A 83 6.758 3.759 -11.147 1.00 0.00 C ATOM 0 H ALA A 83 6.803 2.574 -8.991 1.00 0.00 H new ATOM 0 HA ALA A 83 8.400 4.614 -10.071 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.803 4.477 -11.966 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.327 2.868 -11.414 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.719 3.484 -10.962 1.00 0.00 H new ATOM 1330 N HIS A 84 5.726 5.673 -8.615 1.00 0.00 N ATOM 1331 CA HIS A 84 4.980 6.851 -8.201 1.00 0.00 C ATOM 1332 C HIS A 84 5.789 7.689 -7.206 1.00 0.00 C ATOM 1333 O HIS A 84 5.818 8.905 -7.317 1.00 0.00 O ATOM 1334 CB HIS A 84 3.607 6.444 -7.602 1.00 0.00 C ATOM 1335 CG HIS A 84 2.695 7.590 -7.201 1.00 0.00 C ATOM 1336 ND1 HIS A 84 1.659 8.043 -7.988 1.00 0.00 N ATOM 1337 CD2 HIS A 84 2.642 8.335 -6.067 1.00 0.00 C ATOM 1338 CE1 HIS A 84 1.017 9.006 -7.358 1.00 0.00 C ATOM 1339 NE2 HIS A 84 1.594 9.199 -6.196 1.00 0.00 N ATOM 0 H HIS A 84 5.472 4.823 -8.112 1.00 0.00 H new ATOM 0 HA HIS A 84 4.796 7.467 -9.081 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.083 5.825 -8.331 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.785 5.822 -6.725 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.307 8.258 -5.219 1.00 0.00 H new ATOM 0 HE1 HIS A 84 0.160 9.545 -7.735 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.305 9.886 -5.499 1.00 0.00 H new ATOM 1348 N PHE A 85 6.438 7.038 -6.250 1.00 0.00 N ATOM 1349 CA PHE A 85 7.186 7.763 -5.222 1.00 0.00 C ATOM 1350 C PHE A 85 8.646 7.965 -5.612 1.00 0.00 C ATOM 1351 O PHE A 85 9.088 9.087 -5.836 1.00 0.00 O ATOM 1352 CB PHE A 85 7.111 7.065 -3.858 1.00 0.00 C ATOM 1353 CG PHE A 85 5.728 6.943 -3.273 1.00 0.00 C ATOM 1354 CD1 PHE A 85 5.022 8.069 -2.891 1.00 0.00 C ATOM 1355 CD2 PHE A 85 5.143 5.702 -3.099 1.00 0.00 C ATOM 1356 CE1 PHE A 85 3.754 7.960 -2.349 1.00 0.00 C ATOM 1357 CE2 PHE A 85 3.880 5.583 -2.555 1.00 0.00 C ATOM 1358 CZ PHE A 85 3.184 6.714 -2.179 1.00 0.00 C ATOM 0 H PHE A 85 6.465 6.022 -6.161 1.00 0.00 H new ATOM 0 HA PHE A 85 6.711 8.740 -5.139 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.536 6.066 -3.956 1.00 0.00 H new ATOM 0 HB3 PHE A 85 7.739 7.611 -3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.466 9.045 -3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.682 4.813 -3.393 1.00 0.00 H new ATOM 0 HE1 PHE A 85 3.211 8.848 -2.059 1.00 0.00 H new ATOM 0 HE2 PHE A 85 3.437 4.607 -2.424 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.196 6.625 -1.753 1.00 0.00 H new ATOM 1368 N ASP A 86 9.380 6.886 -5.714 1.00 0.00 N ATOM 1369 CA ASP A 86 10.792 6.945 -6.033 1.00 0.00 C ATOM 1370 C ASP A 86 11.056 5.990 -7.170 1.00 0.00 C ATOM 1371 O ASP A 86 11.349 4.809 -6.966 1.00 0.00 O ATOM 1372 CB ASP A 86 11.675 6.592 -4.822 1.00 0.00 C ATOM 1373 CG ASP A 86 13.159 6.762 -5.108 1.00 0.00 C ATOM 1374 OD1 ASP A 86 13.782 5.851 -5.697 1.00 0.00 O ATOM 1375 OD2 ASP A 86 13.722 7.820 -4.751 1.00 0.00 O ATOM 0 H ASP A 86 9.020 5.941 -5.579 1.00 0.00 H new ATOM 0 HA ASP A 86 11.047 7.965 -6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.397 7.224 -3.978 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.482 5.561 -4.525 1.00 0.00 H new ATOM 1380 N PRO A 87 10.880 6.455 -8.402 1.00 0.00 N ATOM 1381 CA PRO A 87 11.022 5.610 -9.578 1.00 0.00 C ATOM 1382 C PRO A 87 12.476 5.269 -9.884 1.00 0.00 C ATOM 1383 O PRO A 87 12.769 4.476 -10.792 1.00 0.00 O ATOM 1384 CB PRO A 87 10.397 6.453 -10.682 1.00 0.00 C ATOM 1385 CG PRO A 87 10.620 7.857 -10.241 1.00 0.00 C ATOM 1386 CD PRO A 87 10.497 7.842 -8.755 1.00 0.00 C ATOM 0 HA PRO A 87 10.546 4.638 -9.453 1.00 0.00 H new ATOM 0 HB2 PRO A 87 10.868 6.259 -11.646 1.00 0.00 H new ATOM 0 HB3 PRO A 87 9.335 6.235 -10.796 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.604 8.211 -10.548 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.886 8.528 -10.687 1.00 0.00 H new ATOM 0 HD2 PRO A 87 11.156 8.574 -8.288 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.482 8.075 -8.432 1.00 0.00 H new ATOM 1394 N ASP A 88 13.371 5.851 -9.115 1.00 0.00 N ATOM 1395 CA ASP A 88 14.795 5.624 -9.262 1.00 0.00 C ATOM 1396 C ASP A 88 15.178 4.324 -8.601 1.00 0.00 C ATOM 1397 O ASP A 88 16.227 3.740 -8.912 1.00 0.00 O ATOM 1398 CB ASP A 88 15.611 6.762 -8.624 1.00 0.00 C ATOM 1399 CG ASP A 88 15.466 8.087 -9.325 1.00 0.00 C ATOM 1400 OD1 ASP A 88 16.214 8.349 -10.282 1.00 0.00 O ATOM 1401 OD2 ASP A 88 14.611 8.916 -8.928 1.00 0.00 O ATOM 0 H ASP A 88 13.131 6.499 -8.365 1.00 0.00 H new ATOM 0 HA ASP A 88 15.016 5.586 -10.329 1.00 0.00 H new ATOM 0 HB2 ASP A 88 15.304 6.877 -7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 88 16.664 6.480 -8.616 1.00 0.00 H new ATOM 1406 N GLY A 89 14.334 3.866 -7.687 1.00 0.00 N ATOM 1407 CA GLY A 89 14.587 2.645 -6.979 1.00 0.00 C ATOM 1408 C GLY A 89 15.687 2.848 -5.977 1.00 0.00 C ATOM 1409 O GLY A 89 16.520 1.963 -5.757 1.00 0.00 O ATOM 0 H GLY A 89 13.466 4.334 -7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.680 2.314 -6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.865 1.859 -7.681 1.00 0.00 H new ATOM 1413 N LYS A 90 15.709 4.028 -5.397 1.00 0.00 N ATOM 1414 CA LYS A 90 16.722 4.415 -4.452 1.00 0.00 C ATOM 1415 C LYS A 90 16.473 3.792 -3.095 1.00 0.00 C ATOM 1416 O LYS A 90 17.335 3.122 -2.532 1.00 0.00 O ATOM 1417 CB LYS A 90 16.790 5.947 -4.333 1.00 0.00 C ATOM 1418 CG LYS A 90 17.796 6.452 -3.301 1.00 0.00 C ATOM 1419 CD LYS A 90 19.209 5.971 -3.605 1.00 0.00 C ATOM 1420 CE LYS A 90 19.741 6.556 -4.910 1.00 0.00 C ATOM 1421 NZ LYS A 90 19.825 8.027 -4.871 1.00 0.00 N ATOM 0 H LYS A 90 15.013 4.752 -5.574 1.00 0.00 H new ATOM 0 HA LYS A 90 17.680 4.048 -4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 90 17.045 6.365 -5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 90 15.801 6.324 -4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.780 7.542 -3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 90 17.501 6.110 -2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 90 19.871 6.250 -2.786 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.217 4.883 -3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 90 20.729 6.143 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 90 19.093 6.253 -5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 20.388 8.364 -5.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 18.868 8.431 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 20.278 8.325 -3.984 1.00 0.00 H new ATOM 1435 N TRP A 91 15.271 3.942 -2.609 1.00 0.00 N ATOM 1436 CA TRP A 91 14.918 3.507 -1.274 1.00 0.00 C ATOM 1437 C TRP A 91 14.547 2.042 -1.238 1.00 0.00 C ATOM 1438 O TRP A 91 13.817 1.577 -0.360 1.00 0.00 O ATOM 1439 CB TRP A 91 13.835 4.400 -0.683 1.00 0.00 C ATOM 1440 CG TRP A 91 14.281 5.823 -0.612 1.00 0.00 C ATOM 1441 CD1 TRP A 91 13.934 6.831 -1.457 1.00 0.00 C ATOM 1442 CD2 TRP A 91 15.201 6.385 0.329 1.00 0.00 C ATOM 1443 NE1 TRP A 91 14.571 7.985 -1.095 1.00 0.00 N ATOM 1444 CE2 TRP A 91 15.355 7.743 -0.002 1.00 0.00 C ATOM 1445 CE3 TRP A 91 15.907 5.873 1.424 1.00 0.00 C ATOM 1446 CZ2 TRP A 91 16.184 8.594 0.716 1.00 0.00 C ATOM 1447 CZ3 TRP A 91 16.729 6.720 2.136 1.00 0.00 C ATOM 1448 CH2 TRP A 91 16.863 8.066 1.780 1.00 0.00 C ATOM 0 H TRP A 91 14.502 4.370 -3.125 1.00 0.00 H new ATOM 0 HA TRP A 91 15.800 3.609 -0.642 1.00 0.00 H new ATOM 0 HB2 TRP A 91 12.932 4.330 -1.290 1.00 0.00 H new ATOM 0 HB3 TRP A 91 13.576 4.048 0.316 1.00 0.00 H new ATOM 0 HD1 TRP A 91 13.255 6.734 -2.291 1.00 0.00 H new ATOM 0 HE1 TRP A 91 14.476 8.885 -1.566 1.00 0.00 H new ATOM 0 HE3 TRP A 91 15.810 4.835 1.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 16.289 9.634 0.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 17.279 6.338 2.983 1.00 0.00 H new ATOM 0 HH2 TRP A 91 17.517 8.703 2.358 1.00 0.00 H new ATOM 1459 N ARG A 92 15.176 1.308 -2.122 1.00 0.00 N ATOM 1460 CA ARG A 92 15.054 -0.130 -2.209 1.00 0.00 C ATOM 1461 C ARG A 92 15.601 -0.748 -0.930 1.00 0.00 C ATOM 1462 O ARG A 92 15.170 -1.805 -0.501 1.00 0.00 O ATOM 1463 CB ARG A 92 15.852 -0.639 -3.409 1.00 0.00 C ATOM 1464 CG ARG A 92 17.297 -0.169 -3.398 1.00 0.00 C ATOM 1465 CD ARG A 92 18.084 -0.726 -4.538 1.00 0.00 C ATOM 1466 NE ARG A 92 19.418 -0.146 -4.585 1.00 0.00 N ATOM 1467 CZ ARG A 92 20.464 -0.700 -5.216 1.00 0.00 C ATOM 1468 NH1 ARG A 92 20.368 -1.933 -5.728 1.00 0.00 N ATOM 1469 NH2 ARG A 92 21.606 -0.033 -5.315 1.00 0.00 N ATOM 0 H ARG A 92 15.805 1.703 -2.821 1.00 0.00 H new ATOM 0 HA ARG A 92 14.007 -0.407 -2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 92 15.829 -1.729 -3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 92 15.372 -0.302 -4.328 1.00 0.00 H new ATOM 0 HG2 ARG A 92 17.323 0.920 -3.440 1.00 0.00 H new ATOM 0 HG3 ARG A 92 17.765 -0.463 -2.459 1.00 0.00 H new ATOM 0 HD2 ARG A 92 18.158 -1.809 -4.438 1.00 0.00 H new ATOM 0 HD3 ARG A 92 17.564 -0.527 -5.475 1.00 0.00 H new ATOM 0 HE ARG A 92 19.568 0.742 -4.106 1.00 0.00 H new ATOM 0 HH11 ARG A 92 19.497 -2.456 -5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 92 21.166 -2.350 -6.207 1.00 0.00 H new ATOM 0 HH21 ARG A 92 21.688 0.900 -4.912 1.00 0.00 H new ATOM 0 HH22 ARG A 92 22.402 -0.453 -5.795 1.00 0.00 H new ATOM 1483 N LYS A 93 16.550 -0.054 -0.324 1.00 0.00 N ATOM 1484 CA LYS A 93 17.141 -0.491 0.899 1.00 0.00 C ATOM 1485 C LYS A 93 16.231 -0.187 2.089 1.00 0.00 C ATOM 1486 O LYS A 93 16.263 -0.879 3.095 1.00 0.00 O ATOM 1487 CB LYS A 93 18.548 0.076 1.067 1.00 0.00 C ATOM 1488 CG LYS A 93 19.248 -0.405 2.345 1.00 0.00 C ATOM 1489 CD LYS A 93 20.750 -0.177 2.320 1.00 0.00 C ATOM 1490 CE LYS A 93 21.455 -1.096 1.314 1.00 0.00 C ATOM 1491 NZ LYS A 93 21.267 -2.547 1.616 1.00 0.00 N ATOM 0 H LYS A 93 16.923 0.827 -0.678 1.00 0.00 H new ATOM 0 HA LYS A 93 17.249 -1.575 0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.151 -0.205 0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.495 1.165 1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.821 0.114 3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 93 19.049 -1.468 2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.954 0.863 2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.159 -0.348 3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 93 21.077 -0.887 0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 93 22.521 -0.867 1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 22.019 -3.098 1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 21.310 -2.696 2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.341 -2.859 1.260 1.00 0.00 H new ATOM 1505 N LYS A 94 15.378 0.814 1.956 1.00 0.00 N ATOM 1506 CA LYS A 94 14.445 1.099 3.023 1.00 0.00 C ATOM 1507 C LYS A 94 13.311 0.090 2.906 1.00 0.00 C ATOM 1508 O LYS A 94 12.740 -0.329 3.887 1.00 0.00 O ATOM 1509 CB LYS A 94 13.914 2.539 2.968 1.00 0.00 C ATOM 1510 CG LYS A 94 13.246 2.997 4.270 1.00 0.00 C ATOM 1511 CD LYS A 94 14.269 3.040 5.413 1.00 0.00 C ATOM 1512 CE LYS A 94 13.667 3.491 6.738 1.00 0.00 C ATOM 1513 NZ LYS A 94 12.674 2.535 7.278 1.00 0.00 N ATOM 0 H LYS A 94 15.314 1.426 1.142 1.00 0.00 H new ATOM 0 HA LYS A 94 14.949 1.011 3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 94 14.739 3.213 2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.196 2.622 2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.805 3.984 4.132 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.433 2.318 4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 94 14.707 2.050 5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.080 3.715 5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 94 14.466 3.626 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.192 4.462 6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.337 2.870 8.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.870 2.462 6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.116 1.600 7.388 1.00 0.00 H new ATOM 1527 N TYR A 95 13.017 -0.288 1.670 1.00 0.00 N ATOM 1528 CA TYR A 95 12.101 -1.381 1.354 1.00 0.00 C ATOM 1529 C TYR A 95 12.641 -2.682 1.953 1.00 0.00 C ATOM 1530 O TYR A 95 11.910 -3.436 2.587 1.00 0.00 O ATOM 1531 CB TYR A 95 11.959 -1.461 -0.181 1.00 0.00 C ATOM 1532 CG TYR A 95 11.496 -2.779 -0.761 1.00 0.00 C ATOM 1533 CD1 TYR A 95 10.163 -3.124 -0.791 1.00 0.00 C ATOM 1534 CD2 TYR A 95 12.417 -3.665 -1.311 1.00 0.00 C ATOM 1535 CE1 TYR A 95 9.758 -4.319 -1.348 1.00 0.00 C ATOM 1536 CE2 TYR A 95 12.018 -4.855 -1.871 1.00 0.00 C ATOM 1537 CZ TYR A 95 10.688 -5.177 -1.886 1.00 0.00 C ATOM 1538 OH TYR A 95 10.282 -6.358 -2.450 1.00 0.00 O ATOM 0 H TYR A 95 13.413 0.161 0.844 1.00 0.00 H new ATOM 0 HA TYR A 95 11.114 -1.210 1.784 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.259 -0.688 -0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.925 -1.217 -0.624 1.00 0.00 H new ATOM 0 HD1 TYR A 95 9.427 -2.452 -0.374 1.00 0.00 H new ATOM 0 HD2 TYR A 95 13.467 -3.412 -1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.710 -4.581 -1.362 1.00 0.00 H new ATOM 0 HE2 TYR A 95 12.747 -5.530 -2.295 1.00 0.00 H new ATOM 0 HH TYR A 95 11.063 -6.847 -2.784 1.00 0.00 H new ATOM 1548 N GLU A 96 13.931 -2.894 1.751 1.00 0.00 N ATOM 1549 CA GLU A 96 14.692 -4.015 2.299 1.00 0.00 C ATOM 1550 C GLU A 96 14.513 -4.038 3.827 1.00 0.00 C ATOM 1551 O GLU A 96 14.127 -5.055 4.406 1.00 0.00 O ATOM 1552 CB GLU A 96 16.155 -3.756 1.951 1.00 0.00 C ATOM 1553 CG GLU A 96 17.145 -4.835 2.280 1.00 0.00 C ATOM 1554 CD GLU A 96 18.557 -4.310 2.156 1.00 0.00 C ATOM 1555 OE1 GLU A 96 19.027 -4.039 1.033 1.00 0.00 O ATOM 1556 OE2 GLU A 96 19.210 -4.104 3.189 1.00 0.00 O ATOM 0 H GLU A 96 14.502 -2.270 1.181 1.00 0.00 H new ATOM 0 HA GLU A 96 14.358 -4.971 1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 96 16.217 -3.557 0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 96 16.467 -2.845 2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 96 16.973 -5.199 3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 96 17.005 -5.683 1.609 1.00 0.00 H new ATOM 1563 N ASP A 97 14.779 -2.880 4.444 1.00 0.00 N ATOM 1564 CA ASP A 97 14.605 -2.647 5.888 1.00 0.00 C ATOM 1565 C ASP A 97 13.190 -2.985 6.337 1.00 0.00 C ATOM 1566 O ASP A 97 12.997 -3.822 7.189 1.00 0.00 O ATOM 1567 CB ASP A 97 14.916 -1.165 6.194 1.00 0.00 C ATOM 1568 CG ASP A 97 14.434 -0.679 7.554 1.00 0.00 C ATOM 1569 OD1 ASP A 97 15.136 -0.890 8.573 1.00 0.00 O ATOM 1570 OD2 ASP A 97 13.364 -0.019 7.618 1.00 0.00 O ATOM 0 H ASP A 97 15.128 -2.061 3.946 1.00 0.00 H new ATOM 0 HA ASP A 97 15.289 -3.296 6.434 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.994 -1.014 6.131 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.462 -0.546 5.421 1.00 0.00 H new ATOM 1575 N ARG A 98 12.223 -2.380 5.695 1.00 0.00 N ATOM 1576 CA ARG A 98 10.813 -2.570 6.008 1.00 0.00 C ATOM 1577 C ARG A 98 10.371 -4.017 5.888 1.00 0.00 C ATOM 1578 O ARG A 98 9.715 -4.539 6.763 1.00 0.00 O ATOM 1579 CB ARG A 98 9.978 -1.704 5.092 1.00 0.00 C ATOM 1580 CG ARG A 98 9.872 -0.251 5.516 1.00 0.00 C ATOM 1581 CD ARG A 98 9.709 0.658 4.312 1.00 0.00 C ATOM 1582 NE ARG A 98 8.818 0.093 3.303 1.00 0.00 N ATOM 1583 CZ ARG A 98 9.004 0.224 1.988 1.00 0.00 C ATOM 1584 NH1 ARG A 98 9.875 1.113 1.519 1.00 0.00 N ATOM 1585 NH2 ARG A 98 8.269 -0.470 1.145 1.00 0.00 N ATOM 0 H ARG A 98 12.387 -1.730 4.927 1.00 0.00 H new ATOM 0 HA ARG A 98 10.669 -2.281 7.049 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.402 -1.746 4.089 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.974 -2.125 5.032 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.023 -0.126 6.188 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.764 0.035 6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.319 1.622 4.638 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.686 0.844 3.866 1.00 0.00 H new ATOM 0 HE ARG A 98 8.005 -0.433 3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.404 1.698 2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.014 1.209 0.513 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.556 -1.109 1.497 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.412 -0.369 0.140 1.00 0.00 H new ATOM 1599 N ALA A 99 10.743 -4.655 4.826 1.00 0.00 N ATOM 1600 CA ALA A 99 10.309 -5.998 4.587 1.00 0.00 C ATOM 1601 C ALA A 99 11.049 -7.011 5.459 1.00 0.00 C ATOM 1602 O ALA A 99 10.435 -7.731 6.260 1.00 0.00 O ATOM 1603 CB ALA A 99 10.465 -6.339 3.117 1.00 0.00 C ATOM 0 H ALA A 99 11.350 -4.267 4.104 1.00 0.00 H new ATOM 0 HA ALA A 99 9.256 -6.058 4.861 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.133 -7.363 2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.862 -5.656 2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.512 -6.244 2.831 1.00 0.00 H new ATOM 1609 N LYS A 100 12.350 -7.023 5.380 1.00 0.00 N ATOM 1610 CA LYS A 100 13.104 -8.085 5.982 1.00 0.00 C ATOM 1611 C LYS A 100 13.313 -7.906 7.508 1.00 0.00 C ATOM 1612 O LYS A 100 13.726 -8.853 8.204 1.00 0.00 O ATOM 1613 CB LYS A 100 14.412 -8.292 5.217 1.00 0.00 C ATOM 1614 CG LYS A 100 15.051 -9.649 5.421 1.00 0.00 C ATOM 1615 CD LYS A 100 14.115 -10.774 4.988 1.00 0.00 C ATOM 1616 CE LYS A 100 14.762 -12.139 5.136 1.00 0.00 C ATOM 1617 NZ LYS A 100 15.906 -12.311 4.221 1.00 0.00 N ATOM 0 H LYS A 100 12.908 -6.312 4.907 1.00 0.00 H new ATOM 0 HA LYS A 100 12.515 -8.998 5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.222 -8.150 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 100 15.121 -7.521 5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.979 -9.706 4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 100 15.313 -9.775 6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.204 -10.738 5.585 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.822 -10.622 3.949 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.098 -12.271 6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.021 -12.914 4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.244 -13.293 4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 15.608 -12.094 3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.674 -11.667 4.500 1.00 0.00 H new ATOM 1631 N ALA A 101 13.026 -6.721 8.035 1.00 0.00 N ATOM 1632 CA ALA A 101 13.101 -6.525 9.484 1.00 0.00 C ATOM 1633 C ALA A 101 11.796 -6.945 10.141 1.00 0.00 C ATOM 1634 O ALA A 101 11.771 -7.335 11.306 1.00 0.00 O ATOM 1635 CB ALA A 101 13.439 -5.094 9.855 1.00 0.00 C ATOM 0 H ALA A 101 12.746 -5.899 7.500 1.00 0.00 H new ATOM 0 HA ALA A 101 13.911 -7.154 9.853 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.483 -5.000 10.940 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.405 -4.826 9.428 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.672 -4.426 9.464 1.00 0.00 H new ATOM 1641 N LYS A 102 10.709 -6.870 9.384 1.00 0.00 N ATOM 1642 CA LYS A 102 9.399 -7.272 9.894 1.00 0.00 C ATOM 1643 C LYS A 102 9.208 -8.764 9.730 1.00 0.00 C ATOM 1644 O LYS A 102 8.376 -9.375 10.397 1.00 0.00 O ATOM 1645 CB LYS A 102 8.273 -6.516 9.184 1.00 0.00 C ATOM 1646 CG LYS A 102 8.333 -5.005 9.357 1.00 0.00 C ATOM 1647 CD LYS A 102 8.157 -4.564 10.803 1.00 0.00 C ATOM 1648 CE LYS A 102 6.749 -4.813 11.286 1.00 0.00 C ATOM 1649 NZ LYS A 102 6.541 -4.366 12.676 1.00 0.00 N ATOM 0 H LYS A 102 10.705 -6.537 8.420 1.00 0.00 H new ATOM 0 HA LYS A 102 9.360 -7.022 10.954 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.307 -6.751 8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.315 -6.876 9.559 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.291 -4.640 8.986 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.558 -4.544 8.745 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.862 -5.102 11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.392 -3.503 10.893 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.047 -4.295 10.632 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.526 -5.877 11.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.529 -4.417 12.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.077 -4.980 13.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.871 -3.385 12.778 1.00 0.00 H new ATOM 1663 N GLY A 103 9.978 -9.338 8.844 1.00 0.00 N ATOM 1664 CA GLY A 103 9.915 -10.757 8.631 1.00 0.00 C ATOM 1665 C GLY A 103 9.218 -11.118 7.350 1.00 0.00 C ATOM 1666 O GLY A 103 8.700 -12.229 7.206 1.00 0.00 O ATOM 0 H GLY A 103 10.654 -8.845 8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 103 10.926 -11.164 8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.395 -11.224 9.467 1.00 0.00 H new ATOM 1670 N ILE A 104 9.183 -10.201 6.418 1.00 0.00 N ATOM 1671 CA ILE A 104 8.591 -10.467 5.132 1.00 0.00 C ATOM 1672 C ILE A 104 9.589 -11.246 4.304 1.00 0.00 C ATOM 1673 O ILE A 104 10.751 -10.842 4.174 1.00 0.00 O ATOM 1674 CB ILE A 104 8.182 -9.160 4.384 1.00 0.00 C ATOM 1675 CG1 ILE A 104 7.164 -8.349 5.202 1.00 0.00 C ATOM 1676 CG2 ILE A 104 7.639 -9.452 2.982 1.00 0.00 C ATOM 1677 CD1 ILE A 104 5.924 -9.119 5.602 1.00 0.00 C ATOM 0 H ILE A 104 9.559 -9.259 6.526 1.00 0.00 H new ATOM 0 HA ILE A 104 7.677 -11.041 5.283 1.00 0.00 H new ATOM 0 HB ILE A 104 9.085 -8.561 4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.653 -7.979 6.103 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.863 -7.477 4.622 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.366 -8.516 2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.405 -9.957 2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.759 -10.091 3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.262 -8.470 6.175 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.407 -9.466 4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.209 -9.976 6.212 1.00 0.00 H new ATOM 1689 N VAL A 105 9.158 -12.372 3.795 1.00 0.00 N ATOM 1690 CA VAL A 105 10.013 -13.226 3.015 1.00 0.00 C ATOM 1691 C VAL A 105 10.387 -12.605 1.649 1.00 0.00 C ATOM 1692 O VAL A 105 9.583 -12.553 0.702 1.00 0.00 O ATOM 1693 CB VAL A 105 9.438 -14.683 2.877 1.00 0.00 C ATOM 1694 CG1 VAL A 105 8.039 -14.704 2.261 1.00 0.00 C ATOM 1695 CG2 VAL A 105 10.393 -15.585 2.096 1.00 0.00 C ATOM 0 H VAL A 105 8.206 -12.721 3.910 1.00 0.00 H new ATOM 0 HA VAL A 105 10.946 -13.315 3.572 1.00 0.00 H new ATOM 0 HB VAL A 105 9.346 -15.078 3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.689 -15.734 2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.356 -14.132 2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 105 8.073 -14.261 1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 105 9.967 -16.585 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 105 10.544 -15.176 1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 105 11.350 -15.638 2.615 1.00 0.00 H new ATOM 1705 N ILE A 106 11.579 -12.063 1.605 1.00 0.00 N ATOM 1706 CA ILE A 106 12.177 -11.565 0.396 1.00 0.00 C ATOM 1707 C ILE A 106 13.575 -12.145 0.394 1.00 0.00 C ATOM 1708 O ILE A 106 14.113 -12.473 1.486 1.00 0.00 O ATOM 1709 CB ILE A 106 12.271 -9.995 0.329 1.00 0.00 C ATOM 1710 CG1 ILE A 106 13.357 -9.470 1.278 1.00 0.00 C ATOM 1711 CG2 ILE A 106 10.921 -9.349 0.621 1.00 0.00 C ATOM 1712 CD1 ILE A 106 13.454 -7.956 1.362 1.00 0.00 C ATOM 0 H ILE A 106 12.172 -11.955 2.428 1.00 0.00 H new ATOM 0 HA ILE A 106 11.567 -11.853 -0.460 1.00 0.00 H new ATOM 0 HB ILE A 106 12.554 -9.719 -0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 106 13.168 -9.864 2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 106 14.321 -9.864 0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 106 11.017 -8.265 0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 106 10.190 -9.685 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.589 -9.635 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 106 14.248 -7.680 2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.677 -7.550 0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.506 -7.550 1.715 1.00 0.00 H new ATOM 1724 N PRO A 107 14.184 -12.314 -0.745 1.00 0.00 N ATOM 1725 CA PRO A 107 15.488 -12.895 -0.814 1.00 0.00 C ATOM 1726 C PRO A 107 16.618 -11.879 -0.671 1.00 0.00 C ATOM 1727 O PRO A 107 16.507 -10.710 -1.082 1.00 0.00 O ATOM 1728 CB PRO A 107 15.471 -13.525 -2.180 1.00 0.00 C ATOM 1729 CG PRO A 107 14.677 -12.577 -3.017 1.00 0.00 C ATOM 1730 CD PRO A 107 13.654 -11.978 -2.092 1.00 0.00 C ATOM 0 HA PRO A 107 15.683 -13.591 0.002 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.480 -13.651 -2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.012 -14.514 -2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.315 -11.805 -3.447 1.00 0.00 H new ATOM 0 HG3 PRO A 107 14.198 -13.095 -3.848 1.00 0.00 H new ATOM 0 HD2 PRO A 107 13.564 -10.901 -2.233 1.00 0.00 H new ATOM 0 HD3 PRO A 107 12.664 -12.405 -2.254 1.00 0.00 H new ATOM 1738 N GLU A 108 17.662 -12.307 -0.045 1.00 0.00 N ATOM 1739 CA GLU A 108 18.850 -11.532 0.097 1.00 0.00 C ATOM 1740 C GLU A 108 20.020 -12.430 -0.202 1.00 0.00 C ATOM 1741 O GLU A 108 20.027 -13.588 0.286 1.00 0.00 O ATOM 1742 CB GLU A 108 18.958 -10.856 1.478 1.00 0.00 C ATOM 1743 CG GLU A 108 18.896 -11.796 2.654 1.00 0.00 C ATOM 1744 CD GLU A 108 18.981 -11.090 3.972 1.00 0.00 C ATOM 1745 OE1 GLU A 108 17.953 -10.553 4.428 1.00 0.00 O ATOM 1746 OE2 GLU A 108 20.062 -11.095 4.597 1.00 0.00 O ATOM 1747 OXT GLU A 108 20.915 -12.013 -0.951 1.00 0.00 O ATOM 0 H GLU A 108 17.715 -13.227 0.393 1.00 0.00 H new ATOM 0 HA GLU A 108 18.833 -10.702 -0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 108 19.897 -10.303 1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 108 18.154 -10.126 1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 108 17.966 -12.362 2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 108 19.711 -12.516 2.580 1.00 0.00 H new TER 1754 GLU A 108