USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 852 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 4 MET CE :methyl 165:sc= -0.0349 (180deg=-0.258) USER MOD Set 1.2: B 56 GLN : amide:sc= -0.508 K(o=-0.54,f=-7.3!) USER MOD Set 2.1: B 38 GLN : amide:sc= 0.121 K(o=1.3,f=0.12) USER MOD Set 2.2: B 39 GLN : amide:sc= 1.18 K(o=1.3,f=0.12) USER MOD Set 3.1: B 8 GLN : amide:sc= 0.669 X(o=1.3,f=1.7) USER MOD Set 3.2: B 30 SER OG : rot 180:sc= 0.676 USER MOD Set 4.1: B 1 GLY N :NH3+ -165:sc= 1.33 (180deg=0) USER MOD Set 4.2: B 3 HIS : no HE2:sc= 1.16 K(o=2.5,f=-6.2) USER MOD Set 5.1: A 17 CYS SG : rot -169:sc= 0.00899 USER MOD Set 5.2: A 46 SER OG : rot 150:sc= 0.879 USER MOD Set 6.1: A 43 SER OG : rot -88:sc= 1.24 USER MOD Set 6.2: A 44 THR OG1 : rot 99:sc= 1.9 USER MOD Set 7.1: A 8 GLN : amide:sc= 0.598 K(o=6.9,f=5.5) USER MOD Set 7.2: A 29 SER OG : rot -169:sc= 1.97 USER MOD Set 7.3: A 30 SER OG : rot 84:sc= 1.17 USER MOD Set 7.4: B 43 SER OG : rot -108:sc= 1.06 USER MOD Set 7.5: B 44 THR OG1 : rot 40:sc= 2.11 USER MOD Set 8.1: A 1 GLY N :NH3+ 165:sc= 1.14 (180deg=0) USER MOD Set 8.2: A 3 HIS : no HE2:sc= 0.987 K(o=2.1,f=-3.8) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= -0.247 K(o=-0.25,f=-2.2!) USER MOD Single : A 11 LYS NZ :NH3+ -139:sc= 0.349 (180deg=-3.22!) USER MOD Single : A 14 CYS SG : rot 161:sc= 0.563 USER MOD Single : A 16 CYS SG : rot -164:sc= 1.04 USER MOD Single : A 18 LYS NZ :NH3+ 164:sc= 1.23 (180deg=0.305) USER MOD Single : A 26 THR OG1 : rot 62:sc= 0.767 USER MOD Single : A 36 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 1.05 K(o=1,f=-0.076) USER MOD Single : A 54 THR OG1 : rot 75:sc= 1.13 USER MOD Single : A 55 ASN : amide:sc= 1.02 K(o=1,f=-0.02) USER MOD Single : A 56 GLN : amide:sc= 1.06 K(o=1.1,f=-8.2!) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 MET CE :methyl -174:sc= 0 (180deg=-0.0386) USER MOD Single : B 10 HIS : no HE2:sc= -0.354 K(o=-0.35,f=-2.6!) USER MOD Single : B 11 LYS NZ :NH3+ 156:sc= 1.28 (180deg=1.16) USER MOD Single : B 14 CYS SG : rot -155:sc= 1.04 USER MOD Single : B 16 CYS SG : rot 141:sc= 0.26! USER MOD Single : B 17 CYS SG : rot -141:sc= 0.355 USER MOD Single : B 18 LYS NZ :NH3+ -163:sc= 1.17 (180deg=0.151) USER MOD Single : B 26 THR OG1 : rot 47:sc= 0.484 USER MOD Single : B 29 SER OG : rot 180:sc= -0.372 USER MOD Single : B 36 THR OG1 : rot 85:sc= 1.2 USER MOD Single : B 46 SER OG : rot 61:sc= 0.877 USER MOD Single : B 54 THR OG1 : rot 104:sc= 1.27 USER MOD Single : B 55 ASN : amide:sc= -2.1! C(o=-2.1!,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.493 2.068 -8.740 1.00 0.00 N ATOM 2 CA GLY A 1 -25.665 0.769 -8.062 1.00 0.00 C ATOM 3 C GLY A 1 -24.801 0.699 -6.812 1.00 0.00 C ATOM 4 O GLY A 1 -24.182 1.698 -6.450 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.878 2.010 -9.704 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.998 2.806 -8.209 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.481 2.305 -8.785 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.712 0.628 -7.795 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.397 -0.040 -8.741 1.00 0.00 H new ATOM 8 N SER A 2 -24.747 -0.472 -6.167 1.00 0.00 N ATOM 9 CA SER A 2 -23.792 -0.776 -5.107 1.00 0.00 C ATOM 10 C SER A 2 -22.374 -0.789 -5.691 1.00 0.00 C ATOM 11 O SER A 2 -21.885 -1.829 -6.132 1.00 0.00 O ATOM 12 CB SER A 2 -24.141 -2.123 -4.459 1.00 0.00 C ATOM 13 OG SER A 2 -25.507 -2.146 -4.085 1.00 0.00 O ATOM 0 H SER A 2 -25.379 -1.245 -6.374 1.00 0.00 H new ATOM 0 HA SER A 2 -23.840 -0.010 -4.333 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.933 -2.935 -5.156 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.514 -2.287 -3.583 1.00 0.00 H new ATOM 0 HG SER A 2 -25.719 -3.010 -3.674 1.00 0.00 H new ATOM 19 N HIS A 3 -21.750 0.389 -5.766 1.00 0.00 N ATOM 20 CA HIS A 3 -20.366 0.565 -6.188 1.00 0.00 C ATOM 21 C HIS A 3 -19.721 1.749 -5.443 1.00 0.00 C ATOM 22 O HIS A 3 -18.950 2.496 -6.047 1.00 0.00 O ATOM 23 CB HIS A 3 -20.306 0.683 -7.726 1.00 0.00 C ATOM 24 CG HIS A 3 -21.184 1.765 -8.305 1.00 0.00 C ATOM 25 ND1 HIS A 3 -21.155 3.094 -7.956 1.00 0.00 N ATOM 26 CD2 HIS A 3 -22.144 1.603 -9.265 1.00 0.00 C ATOM 27 CE1 HIS A 3 -22.107 3.718 -8.673 1.00 0.00 C ATOM 28 NE2 HIS A 3 -22.752 2.847 -9.473 1.00 0.00 N ATOM 0 H HIS A 3 -22.209 1.268 -5.528 1.00 0.00 H new ATOM 0 HA HIS A 3 -19.773 -0.309 -5.919 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -19.274 0.872 -8.023 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -20.594 -0.273 -8.163 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -20.528 3.527 -7.278 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -22.389 0.681 -9.772 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -22.325 4.774 -8.615 1.00 0.00 H new ATOM 36 N MET A 4 -20.077 1.964 -4.163 1.00 0.00 N ATOM 37 CA MET A 4 -19.252 2.750 -3.229 1.00 0.00 C ATOM 38 C MET A 4 -19.592 2.532 -1.740 1.00 0.00 C ATOM 39 O MET A 4 -19.408 3.426 -0.911 1.00 0.00 O ATOM 40 CB MET A 4 -19.244 4.257 -3.573 1.00 0.00 C ATOM 41 CG MET A 4 -17.887 4.842 -3.156 1.00 0.00 C ATOM 42 SD MET A 4 -17.669 6.625 -3.407 1.00 0.00 S ATOM 43 CE MET A 4 -19.030 7.293 -2.412 1.00 0.00 C ATOM 0 H MET A 4 -20.937 1.601 -3.751 1.00 0.00 H new ATOM 0 HA MET A 4 -18.244 2.360 -3.370 1.00 0.00 H new ATOM 0 HB2 MET A 4 -19.408 4.403 -4.641 1.00 0.00 H new ATOM 0 HB3 MET A 4 -20.054 4.769 -3.053 1.00 0.00 H new ATOM 0 HG2 MET A 4 -17.730 4.624 -2.100 1.00 0.00 H new ATOM 0 HG3 MET A 4 -17.105 4.321 -3.709 1.00 0.00 H new ATOM 0 HE1 MET A 4 -18.872 8.359 -2.249 1.00 0.00 H new ATOM 0 HE2 MET A 4 -19.973 7.142 -2.937 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.064 6.780 -1.451 1.00 0.00 H new ATOM 53 N ALA A 5 -20.101 1.356 -1.380 1.00 0.00 N ATOM 54 CA ALA A 5 -20.471 0.974 -0.028 1.00 0.00 C ATOM 55 C ALA A 5 -20.085 -0.473 0.298 1.00 0.00 C ATOM 56 O ALA A 5 -20.693 -1.112 1.157 1.00 0.00 O ATOM 57 CB ALA A 5 -21.963 1.258 0.186 1.00 0.00 C ATOM 0 H ALA A 5 -20.273 0.613 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 5 -19.902 1.579 0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -22.246 0.973 1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -22.156 2.321 0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -22.549 0.682 -0.530 1.00 0.00 H new ATOM 63 N GLU A 6 -19.087 -0.998 -0.411 1.00 0.00 N ATOM 64 CA GLU A 6 -18.747 -2.420 -0.399 1.00 0.00 C ATOM 65 C GLU A 6 -17.585 -2.678 0.579 1.00 0.00 C ATOM 66 O GLU A 6 -16.781 -1.768 0.813 1.00 0.00 O ATOM 67 CB GLU A 6 -18.407 -2.896 -1.828 1.00 0.00 C ATOM 68 CG GLU A 6 -19.529 -2.656 -2.861 1.00 0.00 C ATOM 69 CD GLU A 6 -19.724 -1.172 -3.189 1.00 0.00 C ATOM 70 OE1 GLU A 6 -18.712 -0.464 -3.362 1.00 0.00 O ATOM 71 OE2 GLU A 6 -20.869 -0.664 -3.128 1.00 0.00 O ATOM 0 H GLU A 6 -18.485 -0.441 -1.017 1.00 0.00 H new ATOM 0 HA GLU A 6 -19.606 -2.995 -0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.505 -2.385 -2.164 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.178 -3.961 -1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.296 -3.199 -3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -20.464 -3.065 -2.477 1.00 0.00 H new ATOM 78 N PRO A 7 -17.451 -3.901 1.142 1.00 0.00 N ATOM 79 CA PRO A 7 -16.399 -4.271 2.094 1.00 0.00 C ATOM 80 C PRO A 7 -15.042 -4.461 1.402 1.00 0.00 C ATOM 81 O PRO A 7 -14.411 -5.517 1.495 1.00 0.00 O ATOM 82 CB PRO A 7 -16.926 -5.530 2.796 1.00 0.00 C ATOM 83 CG PRO A 7 -17.728 -6.212 1.694 1.00 0.00 C ATOM 84 CD PRO A 7 -18.362 -5.027 0.965 1.00 0.00 C ATOM 0 HA PRO A 7 -16.198 -3.486 2.823 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -16.115 -6.162 3.158 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -17.547 -5.284 3.657 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.091 -6.801 1.034 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -18.480 -6.889 2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -18.502 -5.251 -0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -19.346 -4.799 1.376 1.00 0.00 H new ATOM 92 N GLN A 8 -14.587 -3.402 0.730 1.00 0.00 N ATOM 93 CA GLN A 8 -13.295 -3.282 0.085 1.00 0.00 C ATOM 94 C GLN A 8 -12.595 -2.004 0.557 1.00 0.00 C ATOM 95 O GLN A 8 -11.441 -2.093 0.954 1.00 0.00 O ATOM 96 CB GLN A 8 -13.427 -3.333 -1.450 1.00 0.00 C ATOM 97 CG GLN A 8 -13.436 -4.755 -2.046 1.00 0.00 C ATOM 98 CD GLN A 8 -14.638 -5.614 -1.645 1.00 0.00 C ATOM 99 OE1 GLN A 8 -15.771 -5.146 -1.602 1.00 0.00 O ATOM 100 NE2 GLN A 8 -14.436 -6.896 -1.361 1.00 0.00 N ATOM 0 H GLN A 8 -15.151 -2.559 0.620 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.678 -4.134 0.372 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.347 -2.826 -1.740 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.602 -2.773 -1.891 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.409 -4.678 -3.133 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.524 -5.267 -1.740 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.493 -7.284 -1.397 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.224 -7.492 -1.107 1.00 0.00 H new ATOM 109 N ARG A 9 -13.227 -0.820 0.498 1.00 0.00 N ATOM 110 CA ARG A 9 -12.562 0.468 0.768 1.00 0.00 C ATOM 111 C ARG A 9 -12.067 0.540 2.220 1.00 0.00 C ATOM 112 O ARG A 9 -12.822 0.957 3.098 1.00 0.00 O ATOM 113 CB ARG A 9 -13.498 1.635 0.385 1.00 0.00 C ATOM 114 CG ARG A 9 -12.817 2.995 0.279 1.00 0.00 C ATOM 115 CD ARG A 9 -12.772 3.857 1.549 1.00 0.00 C ATOM 116 NE ARG A 9 -11.976 5.078 1.311 1.00 0.00 N ATOM 117 CZ ARG A 9 -11.942 6.197 2.049 1.00 0.00 C ATOM 118 NH1 ARG A 9 -12.830 6.424 3.015 1.00 0.00 N ATOM 119 NH2 ARG A 9 -11.004 7.107 1.794 1.00 0.00 N ATOM 0 H ARG A 9 -14.215 -0.728 0.261 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.672 0.554 0.145 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.969 1.405 -0.571 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.295 1.701 1.126 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.793 2.835 -0.057 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.322 3.566 -0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.784 4.127 1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.338 3.286 2.369 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.379 5.069 0.484 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.559 5.738 3.209 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.781 7.284 3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.327 6.947 1.048 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.962 7.965 2.345 1.00 0.00 H new ATOM 133 N HIS A 10 -10.817 0.140 2.493 1.00 0.00 N ATOM 134 CA HIS A 10 -10.331 -0.105 3.847 1.00 0.00 C ATOM 135 C HIS A 10 -9.045 0.679 4.114 1.00 0.00 C ATOM 136 O HIS A 10 -8.381 1.144 3.189 1.00 0.00 O ATOM 137 CB HIS A 10 -10.119 -1.612 4.041 1.00 0.00 C ATOM 138 CG HIS A 10 -11.358 -2.482 3.984 1.00 0.00 C ATOM 139 ND1 HIS A 10 -11.402 -3.810 3.631 1.00 0.00 N ATOM 140 CD2 HIS A 10 -12.644 -2.097 4.235 1.00 0.00 C ATOM 141 CE1 HIS A 10 -12.679 -4.217 3.714 1.00 0.00 C ATOM 142 NE2 HIS A 10 -13.479 -3.205 4.081 1.00 0.00 N ATOM 0 H HIS A 10 -10.114 -0.022 1.771 1.00 0.00 H new ATOM 0 HA HIS A 10 -11.073 0.242 4.567 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.423 -1.960 3.278 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.637 -1.767 5.006 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.606 -4.384 3.355 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -12.962 -1.101 4.507 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -13.016 -5.223 3.513 1.00 0.00 H new ATOM 150 N LYS A 11 -8.707 0.851 5.398 1.00 0.00 N ATOM 151 CA LYS A 11 -7.713 1.802 5.888 1.00 0.00 C ATOM 152 C LYS A 11 -6.861 1.126 6.958 1.00 0.00 C ATOM 153 O LYS A 11 -7.273 1.044 8.114 1.00 0.00 O ATOM 154 CB LYS A 11 -8.443 3.032 6.446 1.00 0.00 C ATOM 155 CG LYS A 11 -9.065 3.942 5.367 1.00 0.00 C ATOM 156 CD LYS A 11 -10.459 4.451 5.753 1.00 0.00 C ATOM 157 CE LYS A 11 -10.472 5.216 7.082 1.00 0.00 C ATOM 158 NZ LYS A 11 -9.948 6.594 6.964 1.00 0.00 N ATOM 0 H LYS A 11 -9.137 0.310 6.148 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.053 2.126 5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.231 2.698 7.121 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.742 3.618 7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.407 4.794 5.193 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.131 3.392 4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.834 5.101 4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.143 3.605 5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.493 5.253 7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.878 4.669 7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.351 6.810 7.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.382 6.677 6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.742 7.265 6.926 1.00 0.00 H new ATOM 172 N ILE A 12 -5.689 0.618 6.576 1.00 0.00 N ATOM 173 CA ILE A 12 -4.733 0.016 7.498 1.00 0.00 C ATOM 174 C ILE A 12 -3.818 1.143 7.979 1.00 0.00 C ATOM 175 O ILE A 12 -2.917 1.553 7.259 1.00 0.00 O ATOM 176 CB ILE A 12 -3.912 -1.097 6.809 1.00 0.00 C ATOM 177 CG1 ILE A 12 -4.765 -2.149 6.078 1.00 0.00 C ATOM 178 CG2 ILE A 12 -2.973 -1.742 7.850 1.00 0.00 C ATOM 179 CD1 ILE A 12 -3.900 -3.042 5.178 1.00 0.00 C ATOM 0 H ILE A 12 -5.376 0.614 5.605 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.252 -0.454 8.334 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.327 -0.629 6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.290 -2.765 6.808 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.525 -1.650 5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.388 -2.529 7.374 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.301 -0.984 8.253 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.565 -2.169 8.659 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.533 -3.774 4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.395 -2.427 4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.157 -3.560 5.785 1.00 0.00 H new ATOM 191 N LEU A 13 -4.024 1.683 9.176 1.00 0.00 N ATOM 192 CA LEU A 13 -3.109 2.654 9.736 1.00 0.00 C ATOM 193 C LEU A 13 -1.784 1.975 10.044 1.00 0.00 C ATOM 194 O LEU A 13 -1.711 1.059 10.861 1.00 0.00 O ATOM 195 CB LEU A 13 -3.710 3.362 10.950 1.00 0.00 C ATOM 196 CG LEU A 13 -2.878 4.616 11.301 1.00 0.00 C ATOM 197 CD1 LEU A 13 -3.830 5.707 11.780 1.00 0.00 C ATOM 198 CD2 LEU A 13 -1.806 4.362 12.368 1.00 0.00 C ATOM 0 H LEU A 13 -4.820 1.460 9.773 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.924 3.440 9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.741 3.647 10.741 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.734 2.682 11.802 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.344 4.917 10.400 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.261 6.601 12.033 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.542 5.942 10.989 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.369 5.359 12.661 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.261 5.286 12.564 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.281 4.019 13.287 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.112 3.600 12.013 1.00 0.00 H new ATOM 210 N CYS A 14 -0.746 2.467 9.380 1.00 0.00 N ATOM 211 CA CYS A 14 0.644 2.163 9.632 1.00 0.00 C ATOM 212 C CYS A 14 1.389 3.485 9.887 1.00 0.00 C ATOM 213 O CYS A 14 0.780 4.561 9.952 1.00 0.00 O ATOM 214 CB CYS A 14 1.192 1.385 8.425 1.00 0.00 C ATOM 215 SG CYS A 14 2.651 0.404 8.877 1.00 0.00 S ATOM 0 H CYS A 14 -0.865 3.125 8.610 1.00 0.00 H new ATOM 0 HA CYS A 14 0.779 1.537 10.514 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.417 0.727 8.032 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.453 2.082 7.629 1.00 0.00 H new ATOM 0 HG CYS A 14 2.843 -0.524 7.987 1.00 0.00 H new ATOM 221 N VAL A 15 2.716 3.412 10.005 1.00 0.00 N ATOM 222 CA VAL A 15 3.582 4.581 10.033 1.00 0.00 C ATOM 223 C VAL A 15 4.617 4.463 8.919 1.00 0.00 C ATOM 224 O VAL A 15 4.935 3.362 8.464 1.00 0.00 O ATOM 225 CB VAL A 15 4.221 4.807 11.421 1.00 0.00 C ATOM 226 CG1 VAL A 15 3.156 5.199 12.456 1.00 0.00 C ATOM 227 CG2 VAL A 15 5.015 3.590 11.925 1.00 0.00 C ATOM 0 H VAL A 15 3.220 2.529 10.084 1.00 0.00 H new ATOM 0 HA VAL A 15 2.979 5.471 9.852 1.00 0.00 H new ATOM 0 HB VAL A 15 4.930 5.626 11.297 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.630 5.353 13.425 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.665 6.120 12.142 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.416 4.403 12.536 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.439 3.812 12.904 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.351 2.729 12.004 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.819 3.365 11.224 1.00 0.00 H new ATOM 237 N CYS A 16 5.136 5.608 8.472 1.00 0.00 N ATOM 238 CA CYS A 16 6.199 5.652 7.488 1.00 0.00 C ATOM 239 C CYS A 16 7.472 5.089 8.108 1.00 0.00 C ATOM 240 O CYS A 16 7.935 5.596 9.127 1.00 0.00 O ATOM 241 CB CYS A 16 6.454 7.092 7.050 1.00 0.00 C ATOM 242 SG CYS A 16 7.422 7.057 5.521 1.00 0.00 S ATOM 0 H CYS A 16 4.825 6.527 8.787 1.00 0.00 H new ATOM 0 HA CYS A 16 5.907 5.061 6.620 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.510 7.613 6.890 1.00 0.00 H new ATOM 0 HB3 CYS A 16 6.991 7.636 7.827 1.00 0.00 H new ATOM 0 HG CYS A 16 7.934 8.232 5.305 1.00 0.00 H new ATOM 247 N CYS A 17 8.076 4.096 7.461 1.00 0.00 N ATOM 248 CA CYS A 17 9.235 3.385 7.994 1.00 0.00 C ATOM 249 C CYS A 17 10.440 4.296 8.295 1.00 0.00 C ATOM 250 O CYS A 17 11.288 3.933 9.107 1.00 0.00 O ATOM 251 CB CYS A 17 9.621 2.291 6.997 1.00 0.00 C ATOM 252 SG CYS A 17 10.667 1.039 7.784 1.00 0.00 S ATOM 0 H CYS A 17 7.773 3.760 6.547 1.00 0.00 H new ATOM 0 HA CYS A 17 8.952 2.959 8.957 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.721 1.821 6.600 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.149 2.733 6.152 1.00 0.00 H new ATOM 0 HG CYS A 17 11.161 0.253 6.875 1.00 0.00 H new ATOM 258 N LYS A 18 10.534 5.472 7.654 1.00 0.00 N ATOM 259 CA LYS A 18 11.699 6.348 7.748 1.00 0.00 C ATOM 260 C LYS A 18 11.414 7.758 8.267 1.00 0.00 C ATOM 261 O LYS A 18 12.340 8.374 8.789 1.00 0.00 O ATOM 262 CB LYS A 18 12.465 6.351 6.421 1.00 0.00 C ATOM 263 CG LYS A 18 11.629 6.396 5.125 1.00 0.00 C ATOM 264 CD LYS A 18 12.569 6.385 3.908 1.00 0.00 C ATOM 265 CE LYS A 18 12.734 5.004 3.259 1.00 0.00 C ATOM 266 NZ LYS A 18 13.019 3.927 4.232 1.00 0.00 N ATOM 0 H LYS A 18 9.795 5.839 7.053 1.00 0.00 H new ATOM 0 HA LYS A 18 12.335 5.922 8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.136 7.210 6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.090 5.458 6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.955 5.541 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.009 7.292 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.189 7.083 3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.549 6.750 4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.824 4.757 2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.543 5.048 2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.853 3.003 3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.011 3.990 4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.394 4.030 5.057 1.00 0.00 H new ATOM 280 N CYS A 19 10.172 8.256 8.202 1.00 0.00 N ATOM 281 CA CYS A 19 9.790 9.525 8.802 1.00 0.00 C ATOM 282 C CYS A 19 8.780 9.369 9.946 1.00 0.00 C ATOM 283 O CYS A 19 8.393 10.379 10.528 1.00 0.00 O ATOM 284 CB CYS A 19 9.286 10.470 7.709 1.00 0.00 C ATOM 285 SG CYS A 19 7.639 10.160 7.019 1.00 0.00 S ATOM 0 H CYS A 19 9.405 7.781 7.727 1.00 0.00 H new ATOM 0 HA CYS A 19 10.675 9.960 9.267 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.296 11.483 8.111 1.00 0.00 H new ATOM 0 HB3 CYS A 19 10.003 10.446 6.888 1.00 0.00 H new ATOM 290 N ASP A 20 8.354 8.135 10.267 1.00 0.00 N ATOM 291 CA ASP A 20 7.405 7.791 11.335 1.00 0.00 C ATOM 292 C ASP A 20 6.075 8.558 11.233 1.00 0.00 C ATOM 293 O ASP A 20 5.364 8.758 12.216 1.00 0.00 O ATOM 294 CB ASP A 20 8.105 7.902 12.698 1.00 0.00 C ATOM 295 CG ASP A 20 7.307 7.250 13.836 1.00 0.00 C ATOM 296 OD1 ASP A 20 6.756 6.150 13.596 1.00 0.00 O ATOM 297 OD2 ASP A 20 7.319 7.822 14.948 1.00 0.00 O ATOM 0 H ASP A 20 8.680 7.311 9.762 1.00 0.00 H new ATOM 0 HA ASP A 20 7.099 6.752 11.213 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.087 7.433 12.635 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.268 8.954 12.932 1.00 0.00 H new ATOM 302 N GLY A 21 5.719 8.999 10.020 1.00 0.00 N ATOM 303 CA GLY A 21 4.490 9.754 9.812 1.00 0.00 C ATOM 304 C GLY A 21 3.302 8.805 9.805 1.00 0.00 C ATOM 305 O GLY A 21 3.431 7.662 9.374 1.00 0.00 O ATOM 0 H GLY A 21 6.267 8.844 9.174 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.370 10.497 10.601 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.540 10.297 8.868 1.00 0.00 H new ATOM 309 N ARG A 22 2.138 9.298 10.229 1.00 0.00 N ATOM 310 CA ARG A 22 0.870 8.567 10.230 1.00 0.00 C ATOM 311 C ARG A 22 0.470 8.283 8.785 1.00 0.00 C ATOM 312 O ARG A 22 0.097 9.225 8.086 1.00 0.00 O ATOM 313 CB ARG A 22 -0.192 9.408 10.973 1.00 0.00 C ATOM 314 CG ARG A 22 -1.588 8.761 11.094 1.00 0.00 C ATOM 315 CD ARG A 22 -2.659 9.339 10.144 1.00 0.00 C ATOM 316 NE ARG A 22 -4.009 8.874 10.532 1.00 0.00 N ATOM 317 CZ ARG A 22 -5.103 8.755 9.759 1.00 0.00 C ATOM 318 NH1 ARG A 22 -5.150 9.282 8.535 1.00 0.00 N ATOM 319 NH2 ARG A 22 -6.149 8.061 10.217 1.00 0.00 N ATOM 0 H ARG A 22 2.049 10.247 10.593 1.00 0.00 H new ATOM 0 HA ARG A 22 0.962 7.613 10.749 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.177 9.624 11.976 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.297 10.364 10.460 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.494 7.692 10.904 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.936 8.873 12.121 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.623 10.428 10.168 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.445 9.035 9.119 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.125 8.610 11.510 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.345 9.788 8.167 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.991 9.179 7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.110 7.631 11.141 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.986 7.962 9.643 1.00 0.00 H new ATOM 333 N ILE A 23 0.513 7.019 8.340 1.00 0.00 N ATOM 334 CA ILE A 23 0.039 6.657 7.008 1.00 0.00 C ATOM 335 C ILE A 23 -1.112 5.674 7.156 1.00 0.00 C ATOM 336 O ILE A 23 -0.943 4.500 7.476 1.00 0.00 O ATOM 337 CB ILE A 23 1.119 6.129 6.042 1.00 0.00 C ATOM 338 CG1 ILE A 23 2.473 6.858 6.129 1.00 0.00 C ATOM 339 CG2 ILE A 23 0.527 6.294 4.625 1.00 0.00 C ATOM 340 CD1 ILE A 23 3.518 6.250 5.189 1.00 0.00 C ATOM 0 H ILE A 23 0.871 6.236 8.886 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.295 7.578 6.531 1.00 0.00 H new ATOM 0 HB ILE A 23 1.348 5.096 6.305 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.334 7.911 5.883 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.841 6.817 7.154 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.245 5.937 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.393 5.715 4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.311 7.346 4.441 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.456 6.797 5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.679 5.204 5.452 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.164 6.315 4.160 1.00 0.00 H new ATOM 352 N GLU A 24 -2.307 6.187 6.906 1.00 0.00 N ATOM 353 CA GLU A 24 -3.528 5.427 6.780 1.00 0.00 C ATOM 354 C GLU A 24 -3.537 4.740 5.417 1.00 0.00 C ATOM 355 O GLU A 24 -3.981 5.321 4.419 1.00 0.00 O ATOM 356 CB GLU A 24 -4.643 6.430 7.001 1.00 0.00 C ATOM 357 CG GLU A 24 -6.042 5.838 7.008 1.00 0.00 C ATOM 358 CD GLU A 24 -7.009 6.911 7.511 1.00 0.00 C ATOM 359 OE1 GLU A 24 -6.988 8.051 7.003 1.00 0.00 O ATOM 360 OE2 GLU A 24 -7.750 6.669 8.491 1.00 0.00 O ATOM 0 H GLU A 24 -2.452 7.189 6.781 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.642 4.619 7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.474 6.937 7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.589 7.189 6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.322 5.512 6.006 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.080 4.959 7.652 1.00 0.00 H new ATOM 367 N LEU A 25 -2.982 3.521 5.377 1.00 0.00 N ATOM 368 CA LEU A 25 -2.754 2.765 4.153 1.00 0.00 C ATOM 369 C LEU A 25 -4.114 2.357 3.616 1.00 0.00 C ATOM 370 O LEU A 25 -4.705 1.355 4.028 1.00 0.00 O ATOM 371 CB LEU A 25 -1.854 1.532 4.343 1.00 0.00 C ATOM 372 CG LEU A 25 -0.535 1.719 5.108 1.00 0.00 C ATOM 373 CD1 LEU A 25 0.265 0.411 5.083 1.00 0.00 C ATOM 374 CD2 LEU A 25 0.279 2.854 4.507 1.00 0.00 C ATOM 0 H LEU A 25 -2.675 3.029 6.216 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.215 3.400 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.436 0.769 4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.615 1.136 3.356 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.761 1.979 6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.200 0.546 5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.317 -0.381 5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.482 0.137 4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.209 2.969 5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.506 2.627 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.293 3.780 4.561 1.00 0.00 H new ATOM 386 N THR A 26 -4.643 3.209 2.752 1.00 0.00 N ATOM 387 CA THR A 26 -5.970 3.062 2.223 1.00 0.00 C ATOM 388 C THR A 26 -5.825 2.159 1.005 1.00 0.00 C ATOM 389 O THR A 26 -5.208 2.547 0.012 1.00 0.00 O ATOM 390 CB THR A 26 -6.577 4.445 1.981 1.00 0.00 C ATOM 391 OG1 THR A 26 -6.506 5.183 3.193 1.00 0.00 O ATOM 392 CG2 THR A 26 -8.053 4.338 1.583 1.00 0.00 C ATOM 0 H THR A 26 -4.148 4.029 2.400 1.00 0.00 H new ATOM 0 HA THR A 26 -6.683 2.588 2.898 1.00 0.00 H new ATOM 0 HB THR A 26 -6.025 4.931 1.177 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.568 5.301 3.450 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.458 5.336 1.417 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.141 3.754 0.667 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.610 3.848 2.381 1.00 0.00 H new ATOM 400 N VAL A 27 -6.311 0.925 1.134 1.00 0.00 N ATOM 401 CA VAL A 27 -6.287 -0.108 0.103 1.00 0.00 C ATOM 402 C VAL A 27 -7.754 -0.545 -0.032 1.00 0.00 C ATOM 403 O VAL A 27 -8.408 -0.865 0.966 1.00 0.00 O ATOM 404 CB VAL A 27 -5.246 -1.219 0.454 1.00 0.00 C ATOM 405 CG1 VAL A 27 -3.872 -0.601 0.765 1.00 0.00 C ATOM 406 CG2 VAL A 27 -5.671 -2.072 1.662 1.00 0.00 C ATOM 0 H VAL A 27 -6.751 0.606 1.997 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.934 0.225 -0.873 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.189 -1.862 -0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.163 -1.393 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.516 -0.049 -0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.962 0.077 1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.910 -2.827 1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.784 -1.432 2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.621 -2.562 1.446 1.00 0.00 H new ATOM 416 N GLU A 28 -8.325 -0.458 -1.236 1.00 0.00 N ATOM 417 CA GLU A 28 -9.675 -0.952 -1.474 1.00 0.00 C ATOM 418 C GLU A 28 -9.511 -2.448 -1.744 1.00 0.00 C ATOM 419 O GLU A 28 -9.166 -2.833 -2.862 1.00 0.00 O ATOM 420 CB GLU A 28 -10.463 -0.171 -2.557 1.00 0.00 C ATOM 421 CG GLU A 28 -10.186 1.319 -2.589 1.00 0.00 C ATOM 422 CD GLU A 28 -11.241 2.144 -3.320 1.00 0.00 C ATOM 423 OE1 GLU A 28 -12.296 2.446 -2.718 1.00 0.00 O ATOM 424 OE2 GLU A 28 -10.971 2.612 -4.452 1.00 0.00 O ATOM 0 H GLU A 28 -7.873 -0.051 -2.055 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.315 -0.787 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.226 -0.592 -3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.530 -0.325 -2.393 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.105 1.682 -1.565 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.219 1.486 -3.064 1.00 0.00 H new ATOM 431 N SER A 29 -9.653 -3.285 -0.706 1.00 0.00 N ATOM 432 CA SER A 29 -9.578 -4.734 -0.844 1.00 0.00 C ATOM 433 C SER A 29 -10.371 -5.433 0.244 1.00 0.00 C ATOM 434 O SER A 29 -10.509 -4.921 1.353 1.00 0.00 O ATOM 435 CB SER A 29 -8.140 -5.241 -0.742 1.00 0.00 C ATOM 436 OG SER A 29 -8.053 -6.394 -1.555 1.00 0.00 O ATOM 0 H SER A 29 -9.823 -2.970 0.249 1.00 0.00 H new ATOM 0 HA SER A 29 -9.989 -4.960 -1.828 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.437 -4.478 -1.077 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.886 -5.477 0.291 1.00 0.00 H new ATOM 0 HG SER A 29 -7.202 -6.849 -1.387 1.00 0.00 H new ATOM 442 N SER A 30 -10.813 -6.647 -0.069 1.00 0.00 N ATOM 443 CA SER A 30 -11.570 -7.517 0.815 1.00 0.00 C ATOM 444 C SER A 30 -10.826 -7.707 2.141 1.00 0.00 C ATOM 445 O SER A 30 -9.594 -7.726 2.171 1.00 0.00 O ATOM 446 CB SER A 30 -11.774 -8.858 0.097 1.00 0.00 C ATOM 447 OG SER A 30 -12.148 -8.641 -1.261 1.00 0.00 O ATOM 0 H SER A 30 -10.645 -7.066 -0.984 1.00 0.00 H new ATOM 0 HA SER A 30 -12.538 -7.075 1.049 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.856 -9.444 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.545 -9.437 0.605 1.00 0.00 H new ATOM 0 HG SER A 30 -11.344 -8.493 -1.802 1.00 0.00 H new ATOM 453 N ALA A 31 -11.560 -7.864 3.248 1.00 0.00 N ATOM 454 CA ALA A 31 -10.958 -7.838 4.579 1.00 0.00 C ATOM 455 C ALA A 31 -9.855 -8.887 4.745 1.00 0.00 C ATOM 456 O ALA A 31 -8.797 -8.571 5.278 1.00 0.00 O ATOM 457 CB ALA A 31 -12.044 -8.011 5.645 1.00 0.00 C ATOM 0 H ALA A 31 -12.570 -8.010 3.245 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.481 -6.866 4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.589 -7.991 6.635 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.768 -7.200 5.562 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.550 -8.965 5.498 1.00 0.00 H new ATOM 463 N GLU A 32 -10.070 -10.115 4.269 1.00 0.00 N ATOM 464 CA GLU A 32 -9.106 -11.204 4.407 1.00 0.00 C ATOM 465 C GLU A 32 -7.874 -11.017 3.520 1.00 0.00 C ATOM 466 O GLU A 32 -6.772 -11.447 3.863 1.00 0.00 O ATOM 467 CB GLU A 32 -9.781 -12.513 4.014 1.00 0.00 C ATOM 468 CG GLU A 32 -10.753 -12.977 5.107 1.00 0.00 C ATOM 469 CD GLU A 32 -11.371 -14.333 4.772 1.00 0.00 C ATOM 470 OE1 GLU A 32 -12.316 -14.340 3.954 1.00 0.00 O ATOM 471 OE2 GLU A 32 -10.891 -15.334 5.349 1.00 0.00 O ATOM 0 H GLU A 32 -10.922 -10.381 3.775 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.775 -11.214 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.319 -12.382 3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.025 -13.280 3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.226 -13.042 6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.544 -12.237 5.230 1.00 0.00 H new ATOM 478 N ASP A 33 -8.065 -10.373 2.375 1.00 0.00 N ATOM 479 CA ASP A 33 -7.029 -10.032 1.423 1.00 0.00 C ATOM 480 C ASP A 33 -6.121 -8.965 2.056 1.00 0.00 C ATOM 481 O ASP A 33 -4.911 -9.155 2.177 1.00 0.00 O ATOM 482 CB ASP A 33 -7.755 -9.604 0.142 1.00 0.00 C ATOM 483 CG ASP A 33 -6.833 -9.134 -0.960 1.00 0.00 C ATOM 484 OD1 ASP A 33 -6.409 -7.958 -0.868 1.00 0.00 O ATOM 485 OD2 ASP A 33 -6.681 -9.903 -1.937 1.00 0.00 O ATOM 0 H ASP A 33 -8.990 -10.063 2.077 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.362 -10.854 1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.346 -10.443 -0.226 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.454 -8.803 0.383 1.00 0.00 H new ATOM 490 N LEU A 34 -6.739 -7.917 2.614 1.00 0.00 N ATOM 491 CA LEU A 34 -6.126 -6.861 3.416 1.00 0.00 C ATOM 492 C LEU A 34 -5.363 -7.425 4.613 1.00 0.00 C ATOM 493 O LEU A 34 -4.289 -6.962 4.970 1.00 0.00 O ATOM 494 CB LEU A 34 -7.229 -5.868 3.836 1.00 0.00 C ATOM 495 CG LEU A 34 -6.976 -5.045 5.126 1.00 0.00 C ATOM 496 CD1 LEU A 34 -7.615 -3.668 4.944 1.00 0.00 C ATOM 497 CD2 LEU A 34 -7.614 -5.659 6.383 1.00 0.00 C ATOM 0 H LEU A 34 -7.744 -7.779 2.508 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.380 -6.335 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.389 -5.170 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.157 -6.426 3.965 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.896 -5.013 5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.450 -3.069 5.840 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.165 -3.169 4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.686 -3.783 4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.396 -5.030 7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.693 -5.727 6.247 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.206 -6.656 6.548 1.00 0.00 H new ATOM 509 N ARG A 35 -5.957 -8.420 5.247 1.00 0.00 N ATOM 510 CA ARG A 35 -5.484 -9.108 6.440 1.00 0.00 C ATOM 511 C ARG A 35 -4.269 -9.922 6.074 1.00 0.00 C ATOM 512 O ARG A 35 -3.283 -9.867 6.794 1.00 0.00 O ATOM 513 CB ARG A 35 -6.554 -10.029 7.039 1.00 0.00 C ATOM 514 CG ARG A 35 -6.105 -10.597 8.394 1.00 0.00 C ATOM 515 CD ARG A 35 -7.160 -11.519 9.006 1.00 0.00 C ATOM 516 NE ARG A 35 -6.668 -12.088 10.271 1.00 0.00 N ATOM 517 CZ ARG A 35 -7.245 -13.063 10.986 1.00 0.00 C ATOM 518 NH1 ARG A 35 -8.384 -13.624 10.577 1.00 0.00 N ATOM 519 NH2 ARG A 35 -6.671 -13.476 12.117 1.00 0.00 N ATOM 0 H ARG A 35 -6.847 -8.797 4.920 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.241 -8.359 7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.485 -9.476 7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.760 -10.847 6.349 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.173 -11.147 8.266 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.898 -9.776 9.081 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.080 -10.963 9.183 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.401 -12.321 8.308 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.800 -11.701 10.641 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.825 -13.311 9.712 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.814 -14.366 11.129 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.799 -13.050 12.432 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.104 -14.218 12.667 1.00 0.00 H new ATOM 533 N THR A 36 -4.336 -10.666 4.977 1.00 0.00 N ATOM 534 CA THR A 36 -3.199 -11.401 4.443 1.00 0.00 C ATOM 535 C THR A 36 -2.043 -10.418 4.227 1.00 0.00 C ATOM 536 O THR A 36 -0.960 -10.618 4.775 1.00 0.00 O ATOM 537 CB THR A 36 -3.606 -12.157 3.165 1.00 0.00 C ATOM 538 OG1 THR A 36 -4.735 -12.971 3.422 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.477 -13.066 2.666 1.00 0.00 C ATOM 0 H THR A 36 -5.189 -10.776 4.429 1.00 0.00 H new ATOM 0 HA THR A 36 -2.860 -12.163 5.145 1.00 0.00 H new ATOM 0 HB THR A 36 -3.831 -11.408 2.406 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.553 -12.460 3.247 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.799 -13.584 1.763 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.596 -12.464 2.444 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.232 -13.798 3.436 1.00 0.00 H new ATOM 547 N LEU A 37 -2.313 -9.300 3.542 1.00 0.00 N ATOM 548 CA LEU A 37 -1.412 -8.155 3.412 1.00 0.00 C ATOM 549 C LEU A 37 -0.903 -7.677 4.790 1.00 0.00 C ATOM 550 O LEU A 37 0.289 -7.425 4.963 1.00 0.00 O ATOM 551 CB LEU A 37 -2.114 -7.083 2.544 1.00 0.00 C ATOM 552 CG LEU A 37 -1.984 -5.630 3.011 1.00 0.00 C ATOM 553 CD1 LEU A 37 -0.574 -5.059 2.730 1.00 0.00 C ATOM 554 CD2 LEU A 37 -2.940 -4.739 2.229 1.00 0.00 C ATOM 0 H LEU A 37 -3.195 -9.166 3.048 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.494 -8.427 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.718 -7.152 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.174 -7.330 2.489 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.197 -5.636 4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.524 -4.027 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.171 -5.655 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.375 -5.093 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.838 -3.709 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.703 -4.795 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.964 -5.075 2.390 1.00 0.00 H new ATOM 566 N GLN A 38 -1.767 -7.597 5.804 1.00 0.00 N ATOM 567 CA GLN A 38 -1.388 -7.181 7.143 1.00 0.00 C ATOM 568 C GLN A 38 -0.451 -8.215 7.787 1.00 0.00 C ATOM 569 O GLN A 38 0.428 -7.835 8.558 1.00 0.00 O ATOM 570 CB GLN A 38 -2.656 -6.939 7.964 1.00 0.00 C ATOM 571 CG GLN A 38 -2.413 -6.390 9.369 1.00 0.00 C ATOM 572 CD GLN A 38 -3.767 -6.194 10.042 1.00 0.00 C ATOM 573 OE1 GLN A 38 -4.180 -6.992 10.875 1.00 0.00 O ATOM 574 NE2 GLN A 38 -4.517 -5.179 9.628 1.00 0.00 N ATOM 0 H GLN A 38 -2.757 -7.823 5.711 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.828 -6.247 7.104 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.296 -6.242 7.422 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.204 -7.878 8.045 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.798 -7.080 9.946 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.872 -5.445 9.320 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.153 -4.526 8.934 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.456 -5.052 10.004 1.00 0.00 H new ATOM 583 N GLN A 39 -0.589 -9.506 7.453 1.00 0.00 N ATOM 584 CA GLN A 39 0.333 -10.531 7.911 1.00 0.00 C ATOM 585 C GLN A 39 1.688 -10.349 7.230 1.00 0.00 C ATOM 586 O GLN A 39 2.712 -10.545 7.878 1.00 0.00 O ATOM 587 CB GLN A 39 -0.170 -11.964 7.699 1.00 0.00 C ATOM 588 CG GLN A 39 -1.606 -12.245 8.149 1.00 0.00 C ATOM 589 CD GLN A 39 -2.013 -11.600 9.476 1.00 0.00 C ATOM 590 OE1 GLN A 39 -1.674 -12.075 10.552 1.00 0.00 O ATOM 591 NE2 GLN A 39 -2.774 -10.517 9.414 1.00 0.00 N ATOM 0 H GLN A 39 -1.341 -9.858 6.861 1.00 0.00 H new ATOM 0 HA GLN A 39 0.424 -10.399 8.989 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.089 -12.203 6.639 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.496 -12.644 8.231 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.287 -11.899 7.372 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.739 -13.324 8.232 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.046 -10.136 8.508 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.088 -10.064 10.273 1.00 0.00 H new ATOM 600 N LEU A 40 1.709 -9.919 5.957 1.00 0.00 N ATOM 601 CA LEU A 40 2.945 -9.495 5.305 1.00 0.00 C ATOM 602 C LEU A 40 3.585 -8.362 6.109 1.00 0.00 C ATOM 603 O LEU A 40 4.789 -8.410 6.340 1.00 0.00 O ATOM 604 CB LEU A 40 2.758 -9.074 3.836 1.00 0.00 C ATOM 605 CG LEU A 40 1.881 -9.965 2.937 1.00 0.00 C ATOM 606 CD1 LEU A 40 1.784 -9.371 1.525 1.00 0.00 C ATOM 607 CD2 LEU A 40 2.325 -11.429 2.874 1.00 0.00 C ATOM 0 H LEU A 40 0.881 -9.858 5.365 1.00 0.00 H new ATOM 0 HA LEU A 40 3.604 -10.363 5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.334 -8.070 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.745 -9.007 3.379 1.00 0.00 H new ATOM 0 HG LEU A 40 0.896 -9.977 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.161 -10.013 0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.341 -8.376 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.781 -9.301 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.653 -11.985 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.341 -11.485 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.297 -11.861 3.874 1.00 0.00 H new ATOM 619 N PHE A 41 2.811 -7.368 6.568 1.00 0.00 N ATOM 620 CA PHE A 41 3.343 -6.268 7.384 1.00 0.00 C ATOM 621 C PHE A 41 3.887 -6.771 8.721 1.00 0.00 C ATOM 622 O PHE A 41 4.950 -6.342 9.160 1.00 0.00 O ATOM 623 CB PHE A 41 2.293 -5.166 7.595 1.00 0.00 C ATOM 624 CG PHE A 41 2.390 -4.058 6.568 1.00 0.00 C ATOM 625 CD1 PHE A 41 1.905 -4.259 5.265 1.00 0.00 C ATOM 626 CD2 PHE A 41 3.017 -2.841 6.900 1.00 0.00 C ATOM 627 CE1 PHE A 41 2.073 -3.262 4.289 1.00 0.00 C ATOM 628 CE2 PHE A 41 3.170 -1.840 5.928 1.00 0.00 C ATOM 629 CZ PHE A 41 2.720 -2.062 4.615 1.00 0.00 C ATOM 0 H PHE A 41 1.809 -7.304 6.386 1.00 0.00 H new ATOM 0 HA PHE A 41 4.176 -5.832 6.832 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.297 -5.607 7.554 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.413 -4.742 8.592 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.402 -5.181 5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.380 -2.678 7.904 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.703 -3.420 3.287 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.633 -0.900 6.189 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.873 -1.308 3.857 1.00 0.00 H new ATOM 639 N LEU A 42 3.174 -7.699 9.361 1.00 0.00 N ATOM 640 CA LEU A 42 3.628 -8.362 10.579 1.00 0.00 C ATOM 641 C LEU A 42 4.882 -9.224 10.342 1.00 0.00 C ATOM 642 O LEU A 42 5.623 -9.470 11.292 1.00 0.00 O ATOM 643 CB LEU A 42 2.473 -9.213 11.127 1.00 0.00 C ATOM 644 CG LEU A 42 1.382 -8.387 11.840 1.00 0.00 C ATOM 645 CD1 LEU A 42 0.088 -9.202 11.959 1.00 0.00 C ATOM 646 CD2 LEU A 42 1.832 -7.951 13.242 1.00 0.00 C ATOM 0 H LEU A 42 2.257 -8.013 9.043 1.00 0.00 H new ATOM 0 HA LEU A 42 3.915 -7.603 11.306 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.019 -9.767 10.305 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.874 -9.949 11.824 1.00 0.00 H new ATOM 0 HG LEU A 42 1.204 -7.496 11.238 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.672 -8.606 12.464 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.265 -9.472 10.964 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.280 -10.108 12.534 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.039 -7.371 13.715 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.046 -8.833 13.846 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.730 -7.339 13.162 1.00 0.00 H new ATOM 658 N SER A 43 5.117 -9.684 9.107 1.00 0.00 N ATOM 659 CA SER A 43 6.220 -10.535 8.710 1.00 0.00 C ATOM 660 C SER A 43 7.460 -9.731 8.303 1.00 0.00 C ATOM 661 O SER A 43 8.515 -9.836 8.927 1.00 0.00 O ATOM 662 CB SER A 43 5.731 -11.426 7.546 1.00 0.00 C ATOM 663 OG SER A 43 6.768 -12.107 6.867 1.00 0.00 O ATOM 0 H SER A 43 4.504 -9.454 8.325 1.00 0.00 H new ATOM 0 HA SER A 43 6.527 -11.146 9.559 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.024 -12.158 7.935 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.188 -10.807 6.832 1.00 0.00 H new ATOM 0 HG SER A 43 7.112 -11.542 6.144 1.00 0.00 H new ATOM 669 N THR A 44 7.325 -8.978 7.211 1.00 0.00 N ATOM 670 CA THR A 44 8.405 -8.487 6.381 1.00 0.00 C ATOM 671 C THR A 44 8.192 -7.125 5.724 1.00 0.00 C ATOM 672 O THR A 44 9.153 -6.512 5.257 1.00 0.00 O ATOM 673 CB THR A 44 8.639 -9.545 5.273 1.00 0.00 C ATOM 674 OG1 THR A 44 7.490 -10.340 4.988 1.00 0.00 O ATOM 675 CG2 THR A 44 9.724 -10.499 5.733 1.00 0.00 C ATOM 0 H THR A 44 6.409 -8.684 6.871 1.00 0.00 H new ATOM 0 HA THR A 44 9.257 -8.336 7.044 1.00 0.00 H new ATOM 0 HB THR A 44 8.904 -8.991 4.373 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.040 -9.990 4.191 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.899 -11.250 4.962 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.644 -9.943 5.914 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.410 -10.991 6.654 1.00 0.00 H new ATOM 683 N LEU A 45 6.943 -6.677 5.648 1.00 0.00 N ATOM 684 CA LEU A 45 6.536 -5.482 4.903 1.00 0.00 C ATOM 685 C LEU A 45 6.520 -4.210 5.760 1.00 0.00 C ATOM 686 O LEU A 45 6.111 -4.236 6.919 1.00 0.00 O ATOM 687 CB LEU A 45 5.151 -5.718 4.259 1.00 0.00 C ATOM 688 CG LEU A 45 5.210 -5.697 2.732 1.00 0.00 C ATOM 689 CD1 LEU A 45 5.962 -6.932 2.231 1.00 0.00 C ATOM 690 CD2 LEU A 45 3.820 -5.678 2.088 1.00 0.00 C ATOM 0 H LEU A 45 6.164 -7.143 6.113 1.00 0.00 H new ATOM 0 HA LEU A 45 7.285 -5.317 4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.757 -6.678 4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.457 -4.952 4.604 1.00 0.00 H new ATOM 0 HG LEU A 45 5.726 -4.780 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.003 -6.916 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.975 -6.929 2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.444 -7.832 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.922 -5.663 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.267 -6.568 2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.280 -4.789 2.414 1.00 0.00 H new ATOM 702 N SER A 46 6.866 -3.072 5.150 1.00 0.00 N ATOM 703 CA SER A 46 6.679 -1.732 5.677 1.00 0.00 C ATOM 704 C SER A 46 6.163 -0.808 4.560 1.00 0.00 C ATOM 705 O SER A 46 6.068 -1.208 3.394 1.00 0.00 O ATOM 706 CB SER A 46 7.978 -1.245 6.340 1.00 0.00 C ATOM 707 OG SER A 46 9.165 -1.651 5.687 1.00 0.00 O ATOM 0 H SER A 46 7.306 -3.069 4.230 1.00 0.00 H new ATOM 0 HA SER A 46 5.920 -1.725 6.459 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.960 -0.156 6.386 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.003 -1.608 7.368 1.00 0.00 H new ATOM 0 HG SER A 46 9.862 -0.976 5.825 1.00 0.00 H new ATOM 713 N PHE A 47 5.803 0.436 4.901 1.00 0.00 N ATOM 714 CA PHE A 47 5.285 1.415 3.957 1.00 0.00 C ATOM 715 C PHE A 47 6.074 2.709 4.071 1.00 0.00 C ATOM 716 O PHE A 47 6.718 3.002 5.085 1.00 0.00 O ATOM 717 CB PHE A 47 3.787 1.670 4.177 1.00 0.00 C ATOM 718 CG PHE A 47 3.061 2.197 2.947 1.00 0.00 C ATOM 719 CD1 PHE A 47 2.996 3.580 2.695 1.00 0.00 C ATOM 720 CD2 PHE A 47 2.420 1.311 2.061 1.00 0.00 C ATOM 721 CE1 PHE A 47 2.315 4.078 1.572 1.00 0.00 C ATOM 722 CE2 PHE A 47 1.716 1.810 0.949 1.00 0.00 C ATOM 723 CZ PHE A 47 1.670 3.191 0.697 1.00 0.00 C ATOM 0 H PHE A 47 5.867 0.789 5.856 1.00 0.00 H new ATOM 0 HA PHE A 47 5.402 1.015 2.950 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.314 0.741 4.495 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.666 2.384 4.991 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.477 4.268 3.375 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.468 0.246 2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.288 5.141 1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.208 1.126 0.285 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.141 3.568 -0.166 1.00 0.00 H new ATOM 733 N VAL A 48 6.000 3.477 2.989 1.00 0.00 N ATOM 734 CA VAL A 48 6.821 4.620 2.701 1.00 0.00 C ATOM 735 C VAL A 48 5.978 5.600 1.876 1.00 0.00 C ATOM 736 O VAL A 48 5.615 5.310 0.741 1.00 0.00 O ATOM 737 CB VAL A 48 8.138 4.162 2.026 1.00 0.00 C ATOM 738 CG1 VAL A 48 9.280 4.246 3.036 1.00 0.00 C ATOM 739 CG2 VAL A 48 8.183 2.717 1.504 1.00 0.00 C ATOM 0 H VAL A 48 5.319 3.296 2.252 1.00 0.00 H new ATOM 0 HA VAL A 48 7.137 5.147 3.602 1.00 0.00 H new ATOM 0 HB VAL A 48 8.221 4.829 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.208 3.924 2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.386 5.275 3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.062 3.599 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.157 2.522 1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.020 2.026 2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.404 2.576 0.755 1.00 0.00 H new ATOM 749 N CYS A 49 5.588 6.730 2.480 1.00 0.00 N ATOM 750 CA CYS A 49 4.731 7.741 1.847 1.00 0.00 C ATOM 751 C CYS A 49 5.403 8.326 0.592 1.00 0.00 C ATOM 752 O CYS A 49 6.633 8.306 0.500 1.00 0.00 O ATOM 753 CB CYS A 49 4.444 8.853 2.871 1.00 0.00 C ATOM 754 SG CYS A 49 5.893 9.543 3.718 1.00 0.00 S ATOM 0 H CYS A 49 5.862 6.971 3.433 1.00 0.00 H new ATOM 0 HA CYS A 49 3.797 7.276 1.532 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.925 9.664 2.361 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.760 8.460 3.623 1.00 0.00 H new ATOM 759 N PRO A 50 4.646 8.943 -0.339 1.00 0.00 N ATOM 760 CA PRO A 50 5.224 9.565 -1.532 1.00 0.00 C ATOM 761 C PRO A 50 6.216 10.693 -1.209 1.00 0.00 C ATOM 762 O PRO A 50 7.141 10.941 -1.990 1.00 0.00 O ATOM 763 CB PRO A 50 4.039 10.057 -2.370 1.00 0.00 C ATOM 764 CG PRO A 50 2.891 10.158 -1.367 1.00 0.00 C ATOM 765 CD PRO A 50 3.192 9.022 -0.392 1.00 0.00 C ATOM 0 HA PRO A 50 5.825 8.840 -2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.251 11.021 -2.832 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.804 9.362 -3.176 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.875 11.126 -0.867 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.921 10.032 -1.848 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.772 9.226 0.593 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.758 8.083 -0.735 1.00 0.00 H new ATOM 773 N TRP A 51 6.081 11.339 -0.041 1.00 0.00 N ATOM 774 CA TRP A 51 7.085 12.279 0.434 1.00 0.00 C ATOM 775 C TRP A 51 8.429 11.572 0.606 1.00 0.00 C ATOM 776 O TRP A 51 9.431 12.058 0.090 1.00 0.00 O ATOM 777 CB TRP A 51 6.652 12.963 1.734 1.00 0.00 C ATOM 778 CG TRP A 51 7.546 14.105 2.104 1.00 0.00 C ATOM 779 CD1 TRP A 51 7.407 15.367 1.645 1.00 0.00 C ATOM 780 CD2 TRP A 51 8.771 14.105 2.901 1.00 0.00 C ATOM 781 NE1 TRP A 51 8.441 16.153 2.114 1.00 0.00 N ATOM 782 CE2 TRP A 51 9.324 15.420 2.879 1.00 0.00 C ATOM 783 CE3 TRP A 51 9.495 13.120 3.603 1.00 0.00 C ATOM 784 CZ2 TRP A 51 10.532 15.740 3.520 1.00 0.00 C ATOM 785 CZ3 TRP A 51 10.711 13.423 4.242 1.00 0.00 C ATOM 786 CH2 TRP A 51 11.229 14.730 4.204 1.00 0.00 C ATOM 0 H TRP A 51 5.284 11.222 0.585 1.00 0.00 H new ATOM 0 HA TRP A 51 7.195 13.062 -0.317 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.630 13.326 1.627 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.648 12.232 2.542 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.607 15.711 1.006 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.539 17.149 1.919 1.00 0.00 H new ATOM 0 HE3 TRP A 51 9.108 12.113 3.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.919 16.748 3.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 11.250 12.647 4.765 1.00 0.00 H new ATOM 0 HH2 TRP A 51 12.161 14.957 4.700 1.00 0.00 H new ATOM 797 N CYS A 52 8.454 10.415 1.273 1.00 0.00 N ATOM 798 CA CYS A 52 9.660 9.612 1.437 1.00 0.00 C ATOM 799 C CYS A 52 10.077 8.913 0.143 1.00 0.00 C ATOM 800 O CYS A 52 11.267 8.704 -0.070 1.00 0.00 O ATOM 801 CB CYS A 52 9.448 8.593 2.552 1.00 0.00 C ATOM 802 SG CYS A 52 9.394 9.360 4.185 1.00 0.00 S ATOM 0 H CYS A 52 7.630 10.010 1.716 1.00 0.00 H new ATOM 0 HA CYS A 52 10.474 10.286 1.704 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.517 8.054 2.376 1.00 0.00 H new ATOM 0 HB3 CYS A 52 10.252 7.857 2.526 1.00 0.00 H new ATOM 807 N ALA A 53 9.139 8.598 -0.758 1.00 0.00 N ATOM 808 CA ALA A 53 9.488 8.157 -2.106 1.00 0.00 C ATOM 809 C ALA A 53 10.303 9.231 -2.838 1.00 0.00 C ATOM 810 O ALA A 53 11.190 8.899 -3.623 1.00 0.00 O ATOM 811 CB ALA A 53 8.222 7.822 -2.898 1.00 0.00 C ATOM 0 H ALA A 53 8.136 8.641 -0.575 1.00 0.00 H new ATOM 0 HA ALA A 53 10.101 7.259 -2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.496 7.495 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.677 7.025 -2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.590 8.708 -2.965 1.00 0.00 H new ATOM 817 N THR A 54 9.993 10.505 -2.571 1.00 0.00 N ATOM 818 CA THR A 54 10.615 11.668 -3.192 1.00 0.00 C ATOM 819 C THR A 54 11.908 12.089 -2.467 1.00 0.00 C ATOM 820 O THR A 54 12.894 12.402 -3.129 1.00 0.00 O ATOM 821 CB THR A 54 9.580 12.812 -3.224 1.00 0.00 C ATOM 822 OG1 THR A 54 8.354 12.370 -3.777 1.00 0.00 O ATOM 823 CG2 THR A 54 10.059 14.015 -4.042 1.00 0.00 C ATOM 0 H THR A 54 9.276 10.758 -1.891 1.00 0.00 H new ATOM 0 HA THR A 54 10.915 11.416 -4.209 1.00 0.00 H new ATOM 0 HB THR A 54 9.445 13.120 -2.187 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.883 11.811 -3.124 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.293 14.790 -4.031 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.979 14.407 -3.608 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.247 13.705 -5.070 1.00 0.00 H new ATOM 831 N ASN A 55 11.910 12.124 -1.125 1.00 0.00 N ATOM 832 CA ASN A 55 12.946 12.781 -0.310 1.00 0.00 C ATOM 833 C ASN A 55 13.813 11.798 0.473 1.00 0.00 C ATOM 834 O ASN A 55 14.856 12.206 0.981 1.00 0.00 O ATOM 835 CB ASN A 55 12.312 13.747 0.707 1.00 0.00 C ATOM 836 CG ASN A 55 11.553 14.886 0.049 1.00 0.00 C ATOM 837 OD1 ASN A 55 12.083 15.965 -0.184 1.00 0.00 O ATOM 838 ND2 ASN A 55 10.295 14.651 -0.282 1.00 0.00 N ATOM 0 H ASN A 55 11.178 11.688 -0.565 1.00 0.00 H new ATOM 0 HA ASN A 55 13.576 13.313 -1.023 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.633 13.191 1.354 1.00 0.00 H new ATOM 0 HB3 ASN A 55 13.094 14.159 1.345 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.745 15.376 -0.742 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.875 13.744 -0.078 1.00 0.00 H new ATOM 845 N GLN A 56 13.388 10.531 0.555 1.00 0.00 N ATOM 846 CA GLN A 56 13.807 9.552 1.561 1.00 0.00 C ATOM 847 C GLN A 56 13.320 9.971 2.960 1.00 0.00 C ATOM 848 O GLN A 56 12.449 10.863 3.032 1.00 0.00 O ATOM 849 CB GLN A 56 15.317 9.266 1.431 1.00 0.00 C ATOM 850 CG GLN A 56 15.769 7.967 2.104 1.00 0.00 C ATOM 851 CD GLN A 56 17.133 7.542 1.575 1.00 0.00 C ATOM 852 OE1 GLN A 56 17.225 6.985 0.483 1.00 0.00 O ATOM 853 NE2 GLN A 56 18.204 7.780 2.320 1.00 0.00 N ATOM 0 H GLN A 56 12.714 10.146 -0.107 1.00 0.00 H new ATOM 0 HA GLN A 56 13.327 8.589 1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.578 9.224 0.374 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.872 10.099 1.864 1.00 0.00 H new ATOM 0 HG2 GLN A 56 15.818 8.107 3.184 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.038 7.180 1.918 1.00 0.00 H new ATOM 0 HE21 GLN A 56 18.104 8.244 3.223 1.00 0.00 H new ATOM 0 HE22 GLN A 56 19.127 7.499 1.990 1.00 0.00 H new TER 862 GLN A 56 ATOM 863 N GLY B 1 24.398 -0.931 10.246 1.00 0.00 N ATOM 864 CA GLY B 1 24.930 0.439 10.352 1.00 0.00 C ATOM 865 C GLY B 1 24.018 1.404 9.613 1.00 0.00 C ATOM 866 O GLY B 1 22.838 1.101 9.459 1.00 0.00 O ATOM 0 H1 GLY B 1 24.865 -1.540 10.947 1.00 0.00 H new ATOM 0 H2 GLY B 1 23.374 -0.920 10.425 1.00 0.00 H new ATOM 0 H3 GLY B 1 24.579 -1.301 9.291 1.00 0.00 H new ATOM 0 HA2 GLY B 1 25.008 0.728 11.400 1.00 0.00 H new ATOM 0 HA3 GLY B 1 25.936 0.482 9.934 1.00 0.00 H new ATOM 870 N SER B 2 24.544 2.556 9.181 1.00 0.00 N ATOM 871 CA SER B 2 23.794 3.511 8.367 1.00 0.00 C ATOM 872 C SER B 2 23.571 2.902 6.978 1.00 0.00 C ATOM 873 O SER B 2 24.514 2.817 6.185 1.00 0.00 O ATOM 874 CB SER B 2 24.547 4.845 8.296 1.00 0.00 C ATOM 875 OG SER B 2 23.699 5.847 7.778 1.00 0.00 O ATOM 0 H SER B 2 25.499 2.849 9.387 1.00 0.00 H new ATOM 0 HA SER B 2 22.822 3.716 8.815 1.00 0.00 H new ATOM 0 HB2 SER B 2 24.896 5.129 9.289 1.00 0.00 H new ATOM 0 HB3 SER B 2 25.430 4.741 7.665 1.00 0.00 H new ATOM 0 HG SER B 2 24.185 6.697 7.737 1.00 0.00 H new ATOM 881 N HIS B 3 22.357 2.409 6.708 1.00 0.00 N ATOM 882 CA HIS B 3 21.977 1.758 5.457 1.00 0.00 C ATOM 883 C HIS B 3 20.557 2.208 5.088 1.00 0.00 C ATOM 884 O HIS B 3 19.772 2.528 5.984 1.00 0.00 O ATOM 885 CB HIS B 3 22.021 0.221 5.606 1.00 0.00 C ATOM 886 CG HIS B 3 23.243 -0.382 6.269 1.00 0.00 C ATOM 887 ND1 HIS B 3 24.543 0.060 6.164 1.00 0.00 N ATOM 888 CD2 HIS B 3 23.257 -1.507 7.050 1.00 0.00 C ATOM 889 CE1 HIS B 3 25.323 -0.781 6.861 1.00 0.00 C ATOM 890 NE2 HIS B 3 24.581 -1.731 7.454 1.00 0.00 N ATOM 0 H HIS B 3 21.590 2.456 7.378 1.00 0.00 H new ATOM 0 HA HIS B 3 22.679 2.040 4.672 1.00 0.00 H new ATOM 0 HB2 HIS B 3 21.143 -0.087 6.174 1.00 0.00 H new ATOM 0 HB3 HIS B 3 21.927 -0.216 4.612 1.00 0.00 H new ATOM 0 HD1 HIS B 3 24.858 0.881 5.648 1.00 0.00 H new ATOM 0 HD2 HIS B 3 22.401 -2.113 7.308 1.00 0.00 H new ATOM 0 HE1 HIS B 3 26.398 -0.705 6.935 1.00 0.00 H new ATOM 898 N MET B 4 20.227 2.221 3.787 1.00 0.00 N ATOM 899 CA MET B 4 18.855 2.336 3.280 1.00 0.00 C ATOM 900 C MET B 4 18.778 1.849 1.815 1.00 0.00 C ATOM 901 O MET B 4 18.124 2.462 0.962 1.00 0.00 O ATOM 902 CB MET B 4 18.307 3.763 3.470 1.00 0.00 C ATOM 903 CG MET B 4 16.777 3.708 3.560 1.00 0.00 C ATOM 904 SD MET B 4 15.999 5.227 4.152 1.00 0.00 S ATOM 905 CE MET B 4 16.405 5.153 5.918 1.00 0.00 C ATOM 0 H MET B 4 20.923 2.150 3.045 1.00 0.00 H new ATOM 0 HA MET B 4 18.207 1.684 3.866 1.00 0.00 H new ATOM 0 HB2 MET B 4 18.721 4.207 4.376 1.00 0.00 H new ATOM 0 HB3 MET B 4 18.612 4.396 2.637 1.00 0.00 H new ATOM 0 HG2 MET B 4 16.377 3.472 2.574 1.00 0.00 H new ATOM 0 HG3 MET B 4 16.495 2.890 4.223 1.00 0.00 H new ATOM 0 HE1 MET B 4 15.903 5.967 6.441 1.00 0.00 H new ATOM 0 HE2 MET B 4 16.073 4.199 6.328 1.00 0.00 H new ATOM 0 HE3 MET B 4 17.483 5.248 6.048 1.00 0.00 H new ATOM 915 N ALA B 5 19.520 0.779 1.510 1.00 0.00 N ATOM 916 CA ALA B 5 19.838 0.249 0.202 1.00 0.00 C ATOM 917 C ALA B 5 19.329 -1.177 -0.021 1.00 0.00 C ATOM 918 O ALA B 5 19.849 -1.918 -0.854 1.00 0.00 O ATOM 919 CB ALA B 5 21.352 0.353 -0.001 1.00 0.00 C ATOM 0 H ALA B 5 19.947 0.219 2.248 1.00 0.00 H new ATOM 0 HA ALA B 5 19.316 0.844 -0.547 1.00 0.00 H new ATOM 0 HB1 ALA B 5 21.615 -0.042 -0.982 1.00 0.00 H new ATOM 0 HB2 ALA B 5 21.657 1.397 0.064 1.00 0.00 H new ATOM 0 HB3 ALA B 5 21.863 -0.223 0.771 1.00 0.00 H new ATOM 925 N GLU B 6 18.344 -1.573 0.773 1.00 0.00 N ATOM 926 CA GLU B 6 17.926 -2.961 0.929 1.00 0.00 C ATOM 927 C GLU B 6 16.884 -3.324 -0.139 1.00 0.00 C ATOM 928 O GLU B 6 16.181 -2.432 -0.625 1.00 0.00 O ATOM 929 CB GLU B 6 17.368 -3.179 2.351 1.00 0.00 C ATOM 930 CG GLU B 6 18.373 -2.810 3.461 1.00 0.00 C ATOM 931 CD GLU B 6 18.589 -1.303 3.594 1.00 0.00 C ATOM 932 OE1 GLU B 6 17.604 -0.551 3.427 1.00 0.00 O ATOM 933 OE2 GLU B 6 19.764 -0.882 3.693 1.00 0.00 O ATOM 0 H GLU B 6 17.800 -0.923 1.340 1.00 0.00 H new ATOM 0 HA GLU B 6 18.786 -3.617 0.793 1.00 0.00 H new ATOM 0 HB2 GLU B 6 16.464 -2.582 2.475 1.00 0.00 H new ATOM 0 HB3 GLU B 6 17.078 -4.224 2.465 1.00 0.00 H new ATOM 0 HG2 GLU B 6 18.017 -3.206 4.412 1.00 0.00 H new ATOM 0 HG3 GLU B 6 19.329 -3.291 3.253 1.00 0.00 H new ATOM 940 N PRO B 7 16.715 -4.621 -0.478 1.00 0.00 N ATOM 941 CA PRO B 7 15.706 -5.105 -1.425 1.00 0.00 C ATOM 942 C PRO B 7 14.301 -5.093 -0.792 1.00 0.00 C ATOM 943 O PRO B 7 13.590 -6.099 -0.776 1.00 0.00 O ATOM 944 CB PRO B 7 16.196 -6.501 -1.832 1.00 0.00 C ATOM 945 CG PRO B 7 16.860 -7.005 -0.553 1.00 0.00 C ATOM 946 CD PRO B 7 17.523 -5.742 -0.007 1.00 0.00 C ATOM 0 HA PRO B 7 15.599 -4.470 -2.304 1.00 0.00 H new ATOM 0 HB2 PRO B 7 15.373 -7.145 -2.143 1.00 0.00 H new ATOM 0 HB3 PRO B 7 16.899 -6.458 -2.664 1.00 0.00 H new ATOM 0 HG2 PRO B 7 16.133 -7.417 0.147 1.00 0.00 H new ATOM 0 HG3 PRO B 7 17.588 -7.791 -0.756 1.00 0.00 H new ATOM 0 HD2 PRO B 7 17.562 -5.763 1.082 1.00 0.00 H new ATOM 0 HD3 PRO B 7 18.550 -5.657 -0.362 1.00 0.00 H new ATOM 954 N GLN B 8 13.912 -3.926 -0.279 1.00 0.00 N ATOM 955 CA GLN B 8 12.680 -3.627 0.426 1.00 0.00 C ATOM 956 C GLN B 8 11.999 -2.478 -0.310 1.00 0.00 C ATOM 957 O GLN B 8 10.988 -2.704 -0.961 1.00 0.00 O ATOM 958 CB GLN B 8 12.989 -3.300 1.907 1.00 0.00 C ATOM 959 CG GLN B 8 12.576 -4.395 2.897 1.00 0.00 C ATOM 960 CD GLN B 8 13.068 -5.784 2.502 1.00 0.00 C ATOM 961 OE1 GLN B 8 14.263 -6.062 2.485 1.00 0.00 O ATOM 962 NE2 GLN B 8 12.129 -6.660 2.174 1.00 0.00 N ATOM 0 H GLN B 8 14.506 -3.100 -0.356 1.00 0.00 H new ATOM 0 HA GLN B 8 12.002 -4.481 0.439 1.00 0.00 H new ATOM 0 HB2 GLN B 8 14.059 -3.118 2.011 1.00 0.00 H new ATOM 0 HB3 GLN B 8 12.481 -2.374 2.176 1.00 0.00 H new ATOM 0 HG2 GLN B 8 12.964 -4.147 3.885 1.00 0.00 H new ATOM 0 HG3 GLN B 8 11.489 -4.411 2.977 1.00 0.00 H new ATOM 0 HE21 GLN B 8 11.146 -6.388 2.201 1.00 0.00 H new ATOM 0 HE22 GLN B 8 12.389 -7.606 1.894 1.00 0.00 H new ATOM 971 N ARG B 9 12.519 -1.253 -0.181 1.00 0.00 N ATOM 972 CA ARG B 9 11.951 -0.006 -0.697 1.00 0.00 C ATOM 973 C ARG B 9 11.734 -0.083 -2.211 1.00 0.00 C ATOM 974 O ARG B 9 12.633 0.231 -2.989 1.00 0.00 O ATOM 975 CB ARG B 9 12.882 1.139 -0.265 1.00 0.00 C ATOM 976 CG ARG B 9 12.428 2.541 -0.693 1.00 0.00 C ATOM 977 CD ARG B 9 13.422 3.213 -1.648 1.00 0.00 C ATOM 978 NE ARG B 9 14.761 3.381 -1.039 1.00 0.00 N ATOM 979 CZ ARG B 9 15.405 4.513 -0.718 1.00 0.00 C ATOM 980 NH1 ARG B 9 14.869 5.718 -0.921 1.00 0.00 N ATOM 981 NH2 ARG B 9 16.616 4.456 -0.172 1.00 0.00 N ATOM 0 H ARG B 9 13.397 -1.098 0.314 1.00 0.00 H new ATOM 0 HA ARG B 9 10.959 0.177 -0.283 1.00 0.00 H new ATOM 0 HB2 ARG B 9 12.977 1.120 0.821 1.00 0.00 H new ATOM 0 HB3 ARG B 9 13.875 0.954 -0.675 1.00 0.00 H new ATOM 0 HG2 ARG B 9 11.454 2.472 -1.177 1.00 0.00 H new ATOM 0 HG3 ARG B 9 12.301 3.164 0.192 1.00 0.00 H new ATOM 0 HD2 ARG B 9 13.511 2.616 -2.556 1.00 0.00 H new ATOM 0 HD3 ARG B 9 13.035 4.188 -1.944 1.00 0.00 H new ATOM 0 HE ARG B 9 15.263 2.517 -0.835 1.00 0.00 H new ATOM 0 HH11 ARG B 9 13.940 5.800 -1.333 1.00 0.00 H new ATOM 0 HH12 ARG B 9 15.389 6.557 -0.664 1.00 0.00 H new ATOM 0 HH21 ARG B 9 17.055 3.552 0.002 1.00 0.00 H new ATOM 0 HH22 ARG B 9 17.106 5.316 0.072 1.00 0.00 H new ATOM 995 N HIS B 10 10.529 -0.472 -2.625 1.00 0.00 N ATOM 996 CA HIS B 10 10.154 -0.779 -3.996 1.00 0.00 C ATOM 997 C HIS B 10 8.937 0.056 -4.380 1.00 0.00 C ATOM 998 O HIS B 10 8.259 0.633 -3.529 1.00 0.00 O ATOM 999 CB HIS B 10 9.892 -2.286 -4.148 1.00 0.00 C ATOM 1000 CG HIS B 10 11.110 -3.171 -3.984 1.00 0.00 C ATOM 1001 ND1 HIS B 10 11.111 -4.476 -3.557 1.00 0.00 N ATOM 1002 CD2 HIS B 10 12.419 -2.807 -4.136 1.00 0.00 C ATOM 1003 CE1 HIS B 10 12.386 -4.881 -3.460 1.00 0.00 C ATOM 1004 NE2 HIS B 10 13.227 -3.900 -3.818 1.00 0.00 N ATOM 0 H HIS B 10 9.751 -0.586 -1.976 1.00 0.00 H new ATOM 0 HA HIS B 10 10.968 -0.525 -4.675 1.00 0.00 H new ATOM 0 HB2 HIS B 10 9.144 -2.585 -3.414 1.00 0.00 H new ATOM 0 HB3 HIS B 10 9.461 -2.466 -5.133 1.00 0.00 H new ATOM 0 HD1 HIS B 10 10.286 -5.039 -3.350 1.00 0.00 H new ATOM 0 HD2 HIS B 10 12.770 -1.835 -4.450 1.00 0.00 H new ATOM 0 HE1 HIS B 10 12.694 -5.865 -3.137 1.00 0.00 H new ATOM 1012 N LYS B 11 8.692 0.164 -5.687 1.00 0.00 N ATOM 1013 CA LYS B 11 7.776 1.138 -6.257 1.00 0.00 C ATOM 1014 C LYS B 11 6.945 0.462 -7.336 1.00 0.00 C ATOM 1015 O LYS B 11 7.376 0.357 -8.483 1.00 0.00 O ATOM 1016 CB LYS B 11 8.552 2.361 -6.763 1.00 0.00 C ATOM 1017 CG LYS B 11 8.970 3.318 -5.627 1.00 0.00 C ATOM 1018 CD LYS B 11 10.446 3.248 -5.211 1.00 0.00 C ATOM 1019 CE LYS B 11 11.409 3.748 -6.299 1.00 0.00 C ATOM 1020 NZ LYS B 11 11.215 5.178 -6.639 1.00 0.00 N ATOM 0 H LYS B 11 9.134 -0.434 -6.385 1.00 0.00 H new ATOM 0 HA LYS B 11 7.086 1.510 -5.499 1.00 0.00 H new ATOM 0 HB2 LYS B 11 9.442 2.026 -7.295 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.937 2.904 -7.481 1.00 0.00 H new ATOM 0 HG2 LYS B 11 8.746 4.339 -5.935 1.00 0.00 H new ATOM 0 HG3 LYS B 11 8.354 3.107 -4.753 1.00 0.00 H new ATOM 0 HD2 LYS B 11 10.590 3.841 -4.308 1.00 0.00 H new ATOM 0 HD3 LYS B 11 10.697 2.218 -4.959 1.00 0.00 H new ATOM 0 HE2 LYS B 11 12.435 3.597 -5.964 1.00 0.00 H new ATOM 0 HE3 LYS B 11 11.275 3.146 -7.198 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 12.095 5.562 -7.040 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 10.449 5.268 -7.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 10.966 5.708 -5.780 1.00 0.00 H new ATOM 1034 N ILE B 12 5.767 -0.032 -6.953 1.00 0.00 N ATOM 1035 CA ILE B 12 4.825 -0.650 -7.872 1.00 0.00 C ATOM 1036 C ILE B 12 4.061 0.495 -8.538 1.00 0.00 C ATOM 1037 O ILE B 12 3.181 1.091 -7.931 1.00 0.00 O ATOM 1038 CB ILE B 12 3.866 -1.619 -7.145 1.00 0.00 C ATOM 1039 CG1 ILE B 12 4.566 -2.654 -6.247 1.00 0.00 C ATOM 1040 CG2 ILE B 12 2.990 -2.322 -8.202 1.00 0.00 C ATOM 1041 CD1 ILE B 12 3.585 -3.341 -5.288 1.00 0.00 C ATOM 0 H ILE B 12 5.442 -0.012 -5.986 1.00 0.00 H new ATOM 0 HA ILE B 12 5.349 -1.256 -8.611 1.00 0.00 H new ATOM 0 HB ILE B 12 3.261 -1.022 -6.463 1.00 0.00 H new ATOM 0 HG12 ILE B 12 5.050 -3.406 -6.870 1.00 0.00 H new ATOM 0 HG13 ILE B 12 5.351 -2.163 -5.672 1.00 0.00 H new ATOM 0 HG21 ILE B 12 2.306 -3.011 -7.707 1.00 0.00 H new ATOM 0 HG22 ILE B 12 2.418 -1.577 -8.755 1.00 0.00 H new ATOM 0 HG23 ILE B 12 3.627 -2.876 -8.892 1.00 0.00 H new ATOM 0 HD11 ILE B 12 4.122 -4.063 -4.674 1.00 0.00 H new ATOM 0 HD12 ILE B 12 3.120 -2.593 -4.646 1.00 0.00 H new ATOM 0 HD13 ILE B 12 2.815 -3.855 -5.862 1.00 0.00 H new ATOM 1053 N LEU B 13 4.401 0.850 -9.771 1.00 0.00 N ATOM 1054 CA LEU B 13 3.627 1.806 -10.533 1.00 0.00 C ATOM 1055 C LEU B 13 2.277 1.188 -10.867 1.00 0.00 C ATOM 1056 O LEU B 13 2.193 0.236 -11.641 1.00 0.00 O ATOM 1057 CB LEU B 13 4.380 2.289 -11.774 1.00 0.00 C ATOM 1058 CG LEU B 13 3.673 3.515 -12.396 1.00 0.00 C ATOM 1059 CD1 LEU B 13 4.732 4.428 -13.010 1.00 0.00 C ATOM 1060 CD2 LEU B 13 2.636 3.154 -13.470 1.00 0.00 C ATOM 0 H LEU B 13 5.216 0.483 -10.263 1.00 0.00 H new ATOM 0 HA LEU B 13 3.460 2.700 -9.933 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.404 2.550 -11.506 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.437 1.485 -12.507 1.00 0.00 H new ATOM 0 HG LEU B 13 3.126 4.009 -11.593 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.249 5.299 -13.454 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.426 4.754 -12.235 1.00 0.00 H new ATOM 0 HD13 LEU B 13 5.278 3.884 -13.781 1.00 0.00 H new ATOM 0 HD21 LEU B 13 2.183 4.066 -13.859 1.00 0.00 H new ATOM 0 HD22 LEU B 13 3.125 2.617 -14.282 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.863 2.523 -13.032 1.00 0.00 H new ATOM 1072 N CYS B 14 1.232 1.760 -10.281 1.00 0.00 N ATOM 1073 CA CYS B 14 -0.159 1.464 -10.559 1.00 0.00 C ATOM 1074 C CYS B 14 -0.872 2.754 -10.979 1.00 0.00 C ATOM 1075 O CYS B 14 -0.245 3.802 -11.164 1.00 0.00 O ATOM 1076 CB CYS B 14 -0.773 0.839 -9.299 1.00 0.00 C ATOM 1077 SG CYS B 14 -0.243 -0.891 -9.166 1.00 0.00 S ATOM 0 H CYS B 14 1.342 2.478 -9.565 1.00 0.00 H new ATOM 0 HA CYS B 14 -0.264 0.754 -11.380 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -0.462 1.395 -8.415 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -1.861 0.895 -9.345 1.00 0.00 H new ATOM 0 HG CYS B 14 -1.119 -1.562 -8.478 1.00 0.00 H new ATOM 1083 N VAL B 15 -2.198 2.687 -11.100 1.00 0.00 N ATOM 1084 CA VAL B 15 -3.046 3.868 -11.089 1.00 0.00 C ATOM 1085 C VAL B 15 -3.916 3.833 -9.837 1.00 0.00 C ATOM 1086 O VAL B 15 -4.110 2.778 -9.226 1.00 0.00 O ATOM 1087 CB VAL B 15 -3.880 3.996 -12.381 1.00 0.00 C ATOM 1088 CG1 VAL B 15 -2.966 4.234 -13.591 1.00 0.00 C ATOM 1089 CG2 VAL B 15 -4.787 2.782 -12.633 1.00 0.00 C ATOM 0 H VAL B 15 -2.709 1.811 -11.208 1.00 0.00 H new ATOM 0 HA VAL B 15 -2.420 4.760 -11.061 1.00 0.00 H new ATOM 0 HB VAL B 15 -4.534 4.857 -12.243 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -3.572 4.322 -14.493 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -2.399 5.153 -13.444 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -2.277 3.396 -13.697 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -5.348 2.932 -13.556 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -4.176 1.884 -12.721 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -5.482 2.668 -11.801 1.00 0.00 H new ATOM 1099 N CYS B 16 -4.445 4.997 -9.467 1.00 0.00 N ATOM 1100 CA CYS B 16 -5.474 5.117 -8.458 1.00 0.00 C ATOM 1101 C CYS B 16 -6.743 4.426 -8.952 1.00 0.00 C ATOM 1102 O CYS B 16 -7.193 4.686 -10.066 1.00 0.00 O ATOM 1103 CB CYS B 16 -5.752 6.595 -8.176 1.00 0.00 C ATOM 1104 SG CYS B 16 -6.873 6.659 -6.758 1.00 0.00 S ATOM 0 H CYS B 16 -4.162 5.890 -9.870 1.00 0.00 H new ATOM 0 HA CYS B 16 -5.142 4.642 -7.535 1.00 0.00 H new ATOM 0 HB2 CYS B 16 -4.826 7.128 -7.960 1.00 0.00 H new ATOM 0 HB3 CYS B 16 -6.201 7.076 -9.045 1.00 0.00 H new ATOM 0 HG CYS B 16 -6.540 7.650 -5.986 1.00 0.00 H new ATOM 1109 N CYS B 17 -7.355 3.628 -8.078 1.00 0.00 N ATOM 1110 CA CYS B 17 -8.617 2.933 -8.288 1.00 0.00 C ATOM 1111 C CYS B 17 -9.723 3.882 -8.771 1.00 0.00 C ATOM 1112 O CYS B 17 -10.549 3.492 -9.594 1.00 0.00 O ATOM 1113 CB CYS B 17 -8.999 2.290 -6.949 1.00 0.00 C ATOM 1114 SG CYS B 17 -10.486 1.268 -7.093 1.00 0.00 S ATOM 0 H CYS B 17 -6.960 3.441 -7.156 1.00 0.00 H new ATOM 0 HA CYS B 17 -8.503 2.181 -9.069 1.00 0.00 H new ATOM 0 HB2 CYS B 17 -8.171 1.678 -6.590 1.00 0.00 H new ATOM 0 HB3 CYS B 17 -9.165 3.070 -6.206 1.00 0.00 H new ATOM 0 HG CYS B 17 -11.218 1.414 -6.029 1.00 0.00 H new ATOM 1120 N LYS B 18 -9.745 5.122 -8.260 1.00 0.00 N ATOM 1121 CA LYS B 18 -10.848 6.049 -8.447 1.00 0.00 C ATOM 1122 C LYS B 18 -10.435 7.416 -8.990 1.00 0.00 C ATOM 1123 O LYS B 18 -11.249 8.067 -9.638 1.00 0.00 O ATOM 1124 CB LYS B 18 -11.622 6.166 -7.133 1.00 0.00 C ATOM 1125 CG LYS B 18 -10.807 6.580 -5.889 1.00 0.00 C ATOM 1126 CD LYS B 18 -11.768 6.940 -4.741 1.00 0.00 C ATOM 1127 CE LYS B 18 -11.930 5.869 -3.656 1.00 0.00 C ATOM 1128 NZ LYS B 18 -12.616 4.658 -4.143 1.00 0.00 N ATOM 0 H LYS B 18 -8.983 5.505 -7.700 1.00 0.00 H new ATOM 0 HA LYS B 18 -11.492 5.639 -9.225 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.424 6.891 -7.273 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -12.093 5.205 -6.928 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.149 5.766 -5.585 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.171 7.433 -6.125 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.417 7.859 -4.271 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.749 7.154 -5.165 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -10.947 5.595 -3.274 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -12.491 6.287 -2.821 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -12.954 4.101 -3.332 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -13.425 4.932 -4.736 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -11.954 4.086 -4.705 1.00 0.00 H new ATOM 1142 N CYS B 19 -9.187 7.846 -8.775 1.00 0.00 N ATOM 1143 CA CYS B 19 -8.656 9.046 -9.408 1.00 0.00 C ATOM 1144 C CYS B 19 -8.082 8.745 -10.796 1.00 0.00 C ATOM 1145 O CYS B 19 -7.770 9.689 -11.515 1.00 0.00 O ATOM 1146 CB CYS B 19 -7.619 9.721 -8.531 1.00 0.00 C ATOM 1147 SG CYS B 19 -8.005 9.888 -6.767 1.00 0.00 S ATOM 0 H CYS B 19 -8.525 7.372 -8.161 1.00 0.00 H new ATOM 0 HA CYS B 19 -9.489 9.737 -9.536 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.686 9.164 -8.621 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -7.435 10.718 -8.932 1.00 0.00 H new ATOM 1152 N ASP B 20 -7.922 7.454 -11.145 1.00 0.00 N ATOM 1153 CA ASP B 20 -7.372 6.937 -12.400 1.00 0.00 C ATOM 1154 C ASP B 20 -6.147 7.734 -12.867 1.00 0.00 C ATOM 1155 O ASP B 20 -6.036 8.181 -14.008 1.00 0.00 O ATOM 1156 CB ASP B 20 -8.491 6.797 -13.435 1.00 0.00 C ATOM 1157 CG ASP B 20 -8.027 6.059 -14.700 1.00 0.00 C ATOM 1158 OD1 ASP B 20 -7.167 5.156 -14.562 1.00 0.00 O ATOM 1159 OD2 ASP B 20 -8.585 6.361 -15.778 1.00 0.00 O ATOM 0 H ASP B 20 -8.193 6.701 -10.513 1.00 0.00 H new ATOM 0 HA ASP B 20 -6.976 5.934 -12.241 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -9.329 6.260 -12.990 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -8.856 7.787 -13.708 1.00 0.00 H new ATOM 1164 N GLY B 21 -5.221 7.936 -11.925 1.00 0.00 N ATOM 1165 CA GLY B 21 -3.979 8.661 -12.125 1.00 0.00 C ATOM 1166 C GLY B 21 -2.814 7.829 -11.615 1.00 0.00 C ATOM 1167 O GLY B 21 -2.994 6.995 -10.730 1.00 0.00 O ATOM 0 H GLY B 21 -5.326 7.585 -10.973 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -3.843 8.885 -13.183 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -4.015 9.615 -11.600 1.00 0.00 H new ATOM 1171 N ARG B 22 -1.624 8.067 -12.171 1.00 0.00 N ATOM 1172 CA ARG B 22 -0.393 7.320 -11.939 1.00 0.00 C ATOM 1173 C ARG B 22 -0.027 7.406 -10.466 1.00 0.00 C ATOM 1174 O ARG B 22 0.212 8.509 -9.974 1.00 0.00 O ATOM 1175 CB ARG B 22 0.689 7.925 -12.856 1.00 0.00 C ATOM 1176 CG ARG B 22 2.098 7.313 -12.761 1.00 0.00 C ATOM 1177 CD ARG B 22 3.033 8.004 -11.749 1.00 0.00 C ATOM 1178 NE ARG B 22 4.440 7.683 -12.048 1.00 0.00 N ATOM 1179 CZ ARG B 22 5.493 7.802 -11.228 1.00 0.00 C ATOM 1180 NH1 ARG B 22 5.429 8.457 -10.073 1.00 0.00 N ATOM 1181 NH2 ARG B 22 6.650 7.221 -11.527 1.00 0.00 N ATOM 0 H ARG B 22 -1.490 8.831 -12.833 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.501 6.262 -12.176 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.349 7.837 -13.888 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.765 8.990 -12.636 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.005 6.261 -12.490 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.562 7.348 -13.747 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.884 9.083 -11.785 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.787 7.681 -10.737 1.00 0.00 H new ATOM 0 HE ARG B 22 4.634 7.330 -12.985 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.554 8.893 -9.782 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.255 8.524 -9.478 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.742 6.679 -12.386 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.447 7.317 -10.897 1.00 0.00 H new ATOM 1195 N ILE B 23 0.073 6.259 -9.785 1.00 0.00 N ATOM 1196 CA ILE B 23 0.641 6.201 -8.449 1.00 0.00 C ATOM 1197 C ILE B 23 1.844 5.265 -8.494 1.00 0.00 C ATOM 1198 O ILE B 23 1.736 4.113 -8.903 1.00 0.00 O ATOM 1199 CB ILE B 23 -0.346 5.727 -7.358 1.00 0.00 C ATOM 1200 CG1 ILE B 23 -1.738 6.389 -7.371 1.00 0.00 C ATOM 1201 CG2 ILE B 23 0.352 6.030 -6.016 1.00 0.00 C ATOM 1202 CD1 ILE B 23 -2.712 5.694 -6.403 1.00 0.00 C ATOM 0 H ILE B 23 -0.237 5.357 -10.147 1.00 0.00 H new ATOM 0 HA ILE B 23 0.919 7.217 -8.168 1.00 0.00 H new ATOM 0 HB ILE B 23 -0.559 4.673 -7.534 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -1.643 7.440 -7.098 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -2.146 6.358 -8.381 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -0.291 5.719 -5.193 1.00 0.00 H new ATOM 0 HG22 ILE B 23 1.295 5.485 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE B 23 0.547 7.100 -5.940 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -3.681 6.191 -6.443 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -2.828 4.649 -6.691 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -2.317 5.749 -5.388 1.00 0.00 H new ATOM 1214 N GLU B 24 2.985 5.750 -8.019 1.00 0.00 N ATOM 1215 CA GLU B 24 4.176 4.955 -7.787 1.00 0.00 C ATOM 1216 C GLU B 24 4.100 4.398 -6.362 1.00 0.00 C ATOM 1217 O GLU B 24 4.535 5.043 -5.401 1.00 0.00 O ATOM 1218 CB GLU B 24 5.352 5.876 -8.088 1.00 0.00 C ATOM 1219 CG GLU B 24 6.721 5.231 -7.942 1.00 0.00 C ATOM 1220 CD GLU B 24 7.870 6.179 -8.332 1.00 0.00 C ATOM 1221 OE1 GLU B 24 7.612 7.178 -9.054 1.00 0.00 O ATOM 1222 OE2 GLU B 24 9.017 5.870 -7.939 1.00 0.00 O ATOM 0 H GLU B 24 3.106 6.734 -7.779 1.00 0.00 H new ATOM 0 HA GLU B 24 4.286 4.077 -8.424 1.00 0.00 H new ATOM 0 HB2 GLU B 24 5.250 6.252 -9.106 1.00 0.00 H new ATOM 0 HB3 GLU B 24 5.299 6.738 -7.423 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.857 4.907 -6.910 1.00 0.00 H new ATOM 0 HG3 GLU B 24 6.765 4.338 -8.565 1.00 0.00 H new ATOM 1229 N LEU B 25 3.457 3.229 -6.225 1.00 0.00 N ATOM 1230 CA LEU B 25 3.090 2.657 -4.935 1.00 0.00 C ATOM 1231 C LEU B 25 4.359 2.235 -4.216 1.00 0.00 C ATOM 1232 O LEU B 25 4.935 1.179 -4.496 1.00 0.00 O ATOM 1233 CB LEU B 25 2.161 1.443 -5.037 1.00 0.00 C ATOM 1234 CG LEU B 25 0.871 1.618 -5.843 1.00 0.00 C ATOM 1235 CD1 LEU B 25 0.144 0.273 -5.891 1.00 0.00 C ATOM 1236 CD2 LEU B 25 -0.038 2.650 -5.182 1.00 0.00 C ATOM 0 H LEU B 25 3.177 2.653 -7.019 1.00 0.00 H new ATOM 0 HA LEU B 25 2.543 3.428 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.726 0.621 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.890 1.139 -4.026 1.00 0.00 H new ATOM 0 HG LEU B 25 1.118 1.961 -6.848 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.779 0.378 -6.462 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.783 -0.469 -6.369 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.092 -0.050 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.950 2.761 -5.769 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.293 2.319 -4.175 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.478 3.609 -5.129 1.00 0.00 H new ATOM 1248 N THR B 26 4.816 3.102 -3.325 1.00 0.00 N ATOM 1249 CA THR B 26 6.075 2.932 -2.649 1.00 0.00 C ATOM 1250 C THR B 26 5.801 2.061 -1.419 1.00 0.00 C ATOM 1251 O THR B 26 5.244 2.531 -0.427 1.00 0.00 O ATOM 1252 CB THR B 26 6.692 4.317 -2.407 1.00 0.00 C ATOM 1253 OG1 THR B 26 6.746 5.029 -3.639 1.00 0.00 O ATOM 1254 CG2 THR B 26 8.124 4.214 -1.878 1.00 0.00 C ATOM 0 H THR B 26 4.313 3.947 -3.055 1.00 0.00 H new ATOM 0 HA THR B 26 6.837 2.404 -3.223 1.00 0.00 H new ATOM 0 HB THR B 26 6.070 4.827 -1.671 1.00 0.00 H new ATOM 0 HG1 THR B 26 5.886 4.948 -4.102 1.00 0.00 H new ATOM 0 HG21 THR B 26 8.526 5.215 -1.719 1.00 0.00 H new ATOM 0 HG22 THR B 26 8.125 3.669 -0.934 1.00 0.00 H new ATOM 0 HG23 THR B 26 8.743 3.685 -2.603 1.00 0.00 H new ATOM 1262 N VAL B 27 6.122 0.767 -1.517 1.00 0.00 N ATOM 1263 CA VAL B 27 5.966 -0.214 -0.437 1.00 0.00 C ATOM 1264 C VAL B 27 7.359 -0.818 -0.206 1.00 0.00 C ATOM 1265 O VAL B 27 8.110 -1.073 -1.150 1.00 0.00 O ATOM 1266 CB VAL B 27 4.840 -1.251 -0.779 1.00 0.00 C ATOM 1267 CG1 VAL B 27 3.532 -0.523 -1.122 1.00 0.00 C ATOM 1268 CG2 VAL B 27 5.208 -2.096 -2.017 1.00 0.00 C ATOM 0 H VAL B 27 6.507 0.362 -2.370 1.00 0.00 H new ATOM 0 HA VAL B 27 5.623 0.234 0.496 1.00 0.00 H new ATOM 0 HB VAL B 27 4.726 -1.889 0.097 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.759 -1.255 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.215 0.078 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.692 0.126 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.406 -2.804 -2.226 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.346 -1.441 -2.877 1.00 0.00 H new ATOM 0 HG23 VAL B 27 6.132 -2.641 -1.824 1.00 0.00 H new ATOM 1278 N GLU B 28 7.749 -0.993 1.054 1.00 0.00 N ATOM 1279 CA GLU B 28 8.992 -1.657 1.412 1.00 0.00 C ATOM 1280 C GLU B 28 8.659 -3.136 1.531 1.00 0.00 C ATOM 1281 O GLU B 28 7.892 -3.534 2.408 1.00 0.00 O ATOM 1282 CB GLU B 28 9.549 -1.099 2.717 1.00 0.00 C ATOM 1283 CG GLU B 28 10.540 0.053 2.536 1.00 0.00 C ATOM 1284 CD GLU B 28 10.887 0.736 3.859 1.00 0.00 C ATOM 1285 OE1 GLU B 28 10.455 0.227 4.922 1.00 0.00 O ATOM 1286 OE2 GLU B 28 11.588 1.773 3.796 1.00 0.00 O ATOM 0 H GLU B 28 7.206 -0.675 1.857 1.00 0.00 H new ATOM 0 HA GLU B 28 9.765 -1.493 0.661 1.00 0.00 H new ATOM 0 HB2 GLU B 28 8.720 -0.756 3.335 1.00 0.00 H new ATOM 0 HB3 GLU B 28 10.041 -1.904 3.262 1.00 0.00 H new ATOM 0 HG2 GLU B 28 11.452 -0.325 2.075 1.00 0.00 H new ATOM 0 HG3 GLU B 28 10.118 0.788 1.851 1.00 0.00 H new ATOM 1293 N SER B 29 9.095 -3.946 0.566 1.00 0.00 N ATOM 1294 CA SER B 29 8.577 -5.279 0.372 1.00 0.00 C ATOM 1295 C SER B 29 9.590 -6.120 -0.390 1.00 0.00 C ATOM 1296 O SER B 29 10.065 -5.678 -1.431 1.00 0.00 O ATOM 1297 CB SER B 29 7.337 -5.121 -0.492 1.00 0.00 C ATOM 1298 OG SER B 29 6.351 -4.332 0.136 1.00 0.00 O ATOM 0 H SER B 29 9.821 -3.684 -0.101 1.00 0.00 H new ATOM 0 HA SER B 29 8.364 -5.763 1.325 1.00 0.00 H new ATOM 0 HB2 SER B 29 7.614 -4.666 -1.443 1.00 0.00 H new ATOM 0 HB3 SER B 29 6.925 -6.105 -0.717 1.00 0.00 H new ATOM 0 HG SER B 29 5.571 -4.253 -0.452 1.00 0.00 H new ATOM 1304 N SER B 30 9.885 -7.336 0.074 1.00 0.00 N ATOM 1305 CA SER B 30 10.741 -8.250 -0.689 1.00 0.00 C ATOM 1306 C SER B 30 10.042 -8.562 -2.010 1.00 0.00 C ATOM 1307 O SER B 30 8.816 -8.600 -2.043 1.00 0.00 O ATOM 1308 CB SER B 30 10.998 -9.545 0.086 1.00 0.00 C ATOM 1309 OG SER B 30 11.699 -9.286 1.288 1.00 0.00 O ATOM 0 H SER B 30 9.550 -7.708 0.962 1.00 0.00 H new ATOM 0 HA SER B 30 11.707 -7.778 -0.867 1.00 0.00 H new ATOM 0 HB2 SER B 30 10.049 -10.032 0.312 1.00 0.00 H new ATOM 0 HB3 SER B 30 11.572 -10.235 -0.532 1.00 0.00 H new ATOM 0 HG SER B 30 11.850 -10.128 1.766 1.00 0.00 H new ATOM 1315 N ALA B 31 10.781 -8.818 -3.094 1.00 0.00 N ATOM 1316 CA ALA B 31 10.193 -8.905 -4.433 1.00 0.00 C ATOM 1317 C ALA B 31 9.030 -9.911 -4.516 1.00 0.00 C ATOM 1318 O ALA B 31 7.979 -9.594 -5.067 1.00 0.00 O ATOM 1319 CB ALA B 31 11.292 -9.235 -5.449 1.00 0.00 C ATOM 0 H ALA B 31 11.789 -8.969 -3.069 1.00 0.00 H new ATOM 0 HA ALA B 31 9.757 -7.934 -4.670 1.00 0.00 H new ATOM 0 HB1 ALA B 31 10.858 -9.300 -6.447 1.00 0.00 H new ATOM 0 HB2 ALA B 31 12.049 -8.451 -5.434 1.00 0.00 H new ATOM 0 HB3 ALA B 31 11.752 -10.189 -5.190 1.00 0.00 H new ATOM 1325 N GLU B 32 9.185 -11.100 -3.927 1.00 0.00 N ATOM 1326 CA GLU B 32 8.169 -12.153 -3.942 1.00 0.00 C ATOM 1327 C GLU B 32 7.051 -11.894 -2.914 1.00 0.00 C ATOM 1328 O GLU B 32 5.936 -12.406 -3.037 1.00 0.00 O ATOM 1329 CB GLU B 32 8.846 -13.498 -3.657 1.00 0.00 C ATOM 1330 CG GLU B 32 9.723 -14.021 -4.822 1.00 0.00 C ATOM 1331 CD GLU B 32 8.991 -14.981 -5.780 1.00 0.00 C ATOM 1332 OE1 GLU B 32 7.987 -14.568 -6.406 1.00 0.00 O ATOM 1333 OE2 GLU B 32 9.460 -16.132 -5.926 1.00 0.00 O ATOM 0 H GLU B 32 10.031 -11.360 -3.420 1.00 0.00 H new ATOM 0 HA GLU B 32 7.701 -12.164 -4.926 1.00 0.00 H new ATOM 0 HB2 GLU B 32 9.465 -13.400 -2.765 1.00 0.00 H new ATOM 0 HB3 GLU B 32 8.079 -14.239 -3.432 1.00 0.00 H new ATOM 0 HG2 GLU B 32 10.095 -13.170 -5.392 1.00 0.00 H new ATOM 0 HG3 GLU B 32 10.592 -14.532 -4.407 1.00 0.00 H new ATOM 1340 N ASP B 33 7.328 -11.073 -1.902 1.00 0.00 N ATOM 1341 CA ASP B 33 6.364 -10.608 -0.920 1.00 0.00 C ATOM 1342 C ASP B 33 5.469 -9.541 -1.579 1.00 0.00 C ATOM 1343 O ASP B 33 4.244 -9.591 -1.513 1.00 0.00 O ATOM 1344 CB ASP B 33 7.146 -10.086 0.301 1.00 0.00 C ATOM 1345 CG ASP B 33 6.353 -10.101 1.601 1.00 0.00 C ATOM 1346 OD1 ASP B 33 5.113 -10.149 1.527 1.00 0.00 O ATOM 1347 OD2 ASP B 33 7.011 -10.048 2.669 1.00 0.00 O ATOM 0 H ASP B 33 8.265 -10.703 -1.742 1.00 0.00 H new ATOM 0 HA ASP B 33 5.704 -11.403 -0.572 1.00 0.00 H new ATOM 0 HB2 ASP B 33 8.044 -10.690 0.429 1.00 0.00 H new ATOM 0 HB3 ASP B 33 7.474 -9.066 0.100 1.00 0.00 H new ATOM 1352 N LEU B 34 6.095 -8.654 -2.361 1.00 0.00 N ATOM 1353 CA LEU B 34 5.470 -7.663 -3.232 1.00 0.00 C ATOM 1354 C LEU B 34 4.615 -8.336 -4.298 1.00 0.00 C ATOM 1355 O LEU B 34 3.545 -7.862 -4.646 1.00 0.00 O ATOM 1356 CB LEU B 34 6.568 -6.765 -3.836 1.00 0.00 C ATOM 1357 CG LEU B 34 6.231 -6.000 -5.139 1.00 0.00 C ATOM 1358 CD1 LEU B 34 7.070 -4.710 -5.144 1.00 0.00 C ATOM 1359 CD2 LEU B 34 6.597 -6.770 -6.420 1.00 0.00 C ATOM 0 H LEU B 34 7.113 -8.610 -2.402 1.00 0.00 H new ATOM 0 HA LEU B 34 4.793 -7.034 -2.654 1.00 0.00 H new ATOM 0 HB2 LEU B 34 6.856 -6.033 -3.082 1.00 0.00 H new ATOM 0 HB3 LEU B 34 7.443 -7.386 -4.028 1.00 0.00 H new ATOM 0 HG LEU B 34 5.154 -5.832 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU B 34 6.859 -4.142 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU B 34 6.817 -4.108 -4.271 1.00 0.00 H new ATOM 0 HD13 LEU B 34 8.129 -4.965 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU B 34 6.332 -6.172 -7.292 1.00 0.00 H new ATOM 0 HD22 LEU B 34 7.668 -6.971 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU B 34 6.050 -7.713 -6.447 1.00 0.00 H new ATOM 1371 N ARG B 35 5.112 -9.451 -4.807 1.00 0.00 N ATOM 1372 CA ARG B 35 4.469 -10.342 -5.766 1.00 0.00 C ATOM 1373 C ARG B 35 3.261 -10.981 -5.108 1.00 0.00 C ATOM 1374 O ARG B 35 2.196 -11.007 -5.709 1.00 0.00 O ATOM 1375 CB ARG B 35 5.414 -11.435 -6.275 1.00 0.00 C ATOM 1376 CG ARG B 35 4.879 -12.124 -7.540 1.00 0.00 C ATOM 1377 CD ARG B 35 5.721 -13.371 -7.783 1.00 0.00 C ATOM 1378 NE ARG B 35 5.445 -14.058 -9.049 1.00 0.00 N ATOM 1379 CZ ARG B 35 6.023 -15.222 -9.382 1.00 0.00 C ATOM 1380 NH1 ARG B 35 6.911 -15.803 -8.570 1.00 0.00 N ATOM 1381 NH2 ARG B 35 5.691 -15.789 -10.545 1.00 0.00 N ATOM 0 H ARG B 35 6.040 -9.783 -4.544 1.00 0.00 H new ATOM 0 HA ARG B 35 4.172 -9.746 -6.629 1.00 0.00 H new ATOM 0 HB2 ARG B 35 6.390 -10.999 -6.487 1.00 0.00 H new ATOM 0 HB3 ARG B 35 5.560 -12.179 -5.492 1.00 0.00 H new ATOM 0 HG2 ARG B 35 3.829 -12.390 -7.415 1.00 0.00 H new ATOM 0 HG3 ARG B 35 4.938 -11.451 -8.395 1.00 0.00 H new ATOM 0 HD2 ARG B 35 6.774 -13.092 -7.758 1.00 0.00 H new ATOM 0 HD3 ARG B 35 5.557 -14.070 -6.963 1.00 0.00 H new ATOM 0 HE ARG B 35 4.787 -13.634 -9.703 1.00 0.00 H new ATOM 0 HH11 ARG B 35 7.157 -15.361 -7.684 1.00 0.00 H new ATOM 0 HH12 ARG B 35 7.343 -16.688 -8.836 1.00 0.00 H new ATOM 0 HH21 ARG B 35 5.012 -15.337 -11.157 1.00 0.00 H new ATOM 0 HH22 ARG B 35 6.117 -16.674 -10.821 1.00 0.00 H new ATOM 1395 N THR B 36 3.403 -11.471 -3.882 1.00 0.00 N ATOM 1396 CA THR B 36 2.288 -12.000 -3.108 1.00 0.00 C ATOM 1397 C THR B 36 1.218 -10.906 -2.956 1.00 0.00 C ATOM 1398 O THR B 36 0.059 -11.121 -3.313 1.00 0.00 O ATOM 1399 CB THR B 36 2.810 -12.560 -1.771 1.00 0.00 C ATOM 1400 OG1 THR B 36 3.810 -13.536 -2.020 1.00 0.00 O ATOM 1401 CG2 THR B 36 1.693 -13.220 -0.959 1.00 0.00 C ATOM 0 H THR B 36 4.299 -11.512 -3.396 1.00 0.00 H new ATOM 0 HA THR B 36 1.808 -12.835 -3.619 1.00 0.00 H new ATOM 0 HB THR B 36 3.214 -11.722 -1.202 1.00 0.00 H new ATOM 0 HG1 THR B 36 4.676 -13.094 -2.140 1.00 0.00 H new ATOM 0 HG21 THR B 36 2.101 -13.603 -0.023 1.00 0.00 H new ATOM 0 HG22 THR B 36 0.917 -12.485 -0.743 1.00 0.00 H new ATOM 0 HG23 THR B 36 1.265 -14.043 -1.531 1.00 0.00 H new ATOM 1409 N LEU B 37 1.621 -9.700 -2.541 1.00 0.00 N ATOM 1410 CA LEU B 37 0.779 -8.505 -2.523 1.00 0.00 C ATOM 1411 C LEU B 37 0.184 -8.206 -3.916 1.00 0.00 C ATOM 1412 O LEU B 37 -0.977 -7.829 -4.024 1.00 0.00 O ATOM 1413 CB LEU B 37 1.577 -7.346 -1.870 1.00 0.00 C ATOM 1414 CG LEU B 37 1.583 -5.993 -2.610 1.00 0.00 C ATOM 1415 CD1 LEU B 37 0.252 -5.235 -2.396 1.00 0.00 C ATOM 1416 CD2 LEU B 37 2.703 -5.090 -2.081 1.00 0.00 C ATOM 0 H LEU B 37 2.567 -9.527 -2.200 1.00 0.00 H new ATOM 0 HA LEU B 37 -0.105 -8.660 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU B 37 1.178 -7.182 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU B 37 2.611 -7.671 -1.752 1.00 0.00 H new ATOM 0 HG LEU B 37 1.730 -6.215 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU B 37 0.285 -4.285 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.574 -5.836 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.106 -5.049 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU B 37 2.689 -4.141 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU B 37 2.552 -4.908 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU B 37 3.666 -5.578 -2.232 1.00 0.00 H new ATOM 1428 N GLN B 38 0.922 -8.420 -5.004 1.00 0.00 N ATOM 1429 CA GLN B 38 0.442 -8.217 -6.364 1.00 0.00 C ATOM 1430 C GLN B 38 -0.635 -9.266 -6.700 1.00 0.00 C ATOM 1431 O GLN B 38 -1.563 -8.971 -7.451 1.00 0.00 O ATOM 1432 CB GLN B 38 1.646 -8.242 -7.313 1.00 0.00 C ATOM 1433 CG GLN B 38 1.375 -8.309 -8.819 1.00 0.00 C ATOM 1434 CD GLN B 38 2.648 -8.805 -9.499 1.00 0.00 C ATOM 1435 OE1 GLN B 38 2.759 -9.982 -9.835 1.00 0.00 O ATOM 1436 NE2 GLN B 38 3.655 -7.945 -9.617 1.00 0.00 N ATOM 0 H GLN B 38 1.888 -8.745 -4.961 1.00 0.00 H new ATOM 0 HA GLN B 38 -0.040 -7.246 -6.476 1.00 0.00 H new ATOM 0 HB2 GLN B 38 2.241 -7.349 -7.120 1.00 0.00 H new ATOM 0 HB3 GLN B 38 2.263 -9.100 -7.047 1.00 0.00 H new ATOM 0 HG2 GLN B 38 0.543 -8.981 -9.028 1.00 0.00 H new ATOM 0 HG3 GLN B 38 1.095 -7.327 -9.201 1.00 0.00 H new ATOM 0 HE21 GLN B 38 3.533 -6.974 -9.330 1.00 0.00 H new ATOM 0 HE22 GLN B 38 4.550 -8.256 -9.995 1.00 0.00 H new ATOM 1445 N GLN B 39 -0.576 -10.473 -6.121 1.00 0.00 N ATOM 1446 CA GLN B 39 -1.644 -11.450 -6.266 1.00 0.00 C ATOM 1447 C GLN B 39 -2.873 -11.002 -5.466 1.00 0.00 C ATOM 1448 O GLN B 39 -3.995 -11.169 -5.936 1.00 0.00 O ATOM 1449 CB GLN B 39 -1.217 -12.873 -5.888 1.00 0.00 C ATOM 1450 CG GLN B 39 0.118 -13.345 -6.485 1.00 0.00 C ATOM 1451 CD GLN B 39 0.396 -12.910 -7.929 1.00 0.00 C ATOM 1452 OE1 GLN B 39 -0.181 -13.432 -8.874 1.00 0.00 O ATOM 1453 NE2 GLN B 39 1.310 -11.962 -8.105 1.00 0.00 N ATOM 0 H GLN B 39 0.206 -10.789 -5.548 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.901 -11.493 -7.324 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -1.152 -12.937 -4.802 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -2.000 -13.564 -6.202 1.00 0.00 H new ATOM 0 HG2 GLN B 39 0.927 -12.978 -5.853 1.00 0.00 H new ATOM 0 HG3 GLN B 39 0.149 -14.434 -6.441 1.00 0.00 H new ATOM 0 HE21 GLN B 39 1.774 -11.545 -7.298 1.00 0.00 H new ATOM 0 HE22 GLN B 39 1.547 -11.651 -9.047 1.00 0.00 H new ATOM 1462 N LEU B 40 -2.676 -10.368 -4.299 1.00 0.00 N ATOM 1463 CA LEU B 40 -3.757 -9.696 -3.571 1.00 0.00 C ATOM 1464 C LEU B 40 -4.363 -8.554 -4.417 1.00 0.00 C ATOM 1465 O LEU B 40 -5.571 -8.321 -4.375 1.00 0.00 O ATOM 1466 CB LEU B 40 -3.288 -9.210 -2.182 1.00 0.00 C ATOM 1467 CG LEU B 40 -2.742 -10.314 -1.249 1.00 0.00 C ATOM 1468 CD1 LEU B 40 -2.192 -9.693 0.040 1.00 0.00 C ATOM 1469 CD2 LEU B 40 -3.800 -11.359 -0.871 1.00 0.00 C ATOM 0 H LEU B 40 -1.768 -10.308 -3.838 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.549 -10.423 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -2.512 -8.457 -2.321 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.124 -8.718 -1.686 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.953 -10.820 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.810 -10.481 0.689 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.386 -9.002 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.989 -9.154 0.553 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -3.355 -12.107 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.627 -10.870 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -4.172 -11.844 -1.774 1.00 0.00 H new ATOM 1481 N PHE B 41 -3.552 -7.893 -5.255 1.00 0.00 N ATOM 1482 CA PHE B 41 -3.984 -6.883 -6.226 1.00 0.00 C ATOM 1483 C PHE B 41 -4.885 -7.514 -7.286 1.00 0.00 C ATOM 1484 O PHE B 41 -5.965 -7.004 -7.571 1.00 0.00 O ATOM 1485 CB PHE B 41 -2.754 -6.190 -6.848 1.00 0.00 C ATOM 1486 CG PHE B 41 -2.919 -4.724 -7.188 1.00 0.00 C ATOM 1487 CD1 PHE B 41 -3.791 -4.315 -8.216 1.00 0.00 C ATOM 1488 CD2 PHE B 41 -2.186 -3.759 -6.471 1.00 0.00 C ATOM 1489 CE1 PHE B 41 -3.946 -2.947 -8.507 1.00 0.00 C ATOM 1490 CE2 PHE B 41 -2.339 -2.395 -6.767 1.00 0.00 C ATOM 1491 CZ PHE B 41 -3.225 -1.985 -7.779 1.00 0.00 C ATOM 0 H PHE B 41 -2.545 -8.053 -5.275 1.00 0.00 H new ATOM 0 HA PHE B 41 -4.572 -6.119 -5.717 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -1.917 -6.290 -6.157 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -2.482 -6.725 -7.758 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -4.341 -5.052 -8.782 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -1.505 -4.069 -5.692 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -4.620 -2.636 -9.291 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -1.774 -1.658 -6.215 1.00 0.00 H new ATOM 0 HZ PHE B 41 -3.351 -0.935 -7.996 1.00 0.00 H new ATOM 1501 N LEU B 42 -4.442 -8.642 -7.850 1.00 0.00 N ATOM 1502 CA LEU B 42 -5.197 -9.425 -8.825 1.00 0.00 C ATOM 1503 C LEU B 42 -6.483 -10.017 -8.226 1.00 0.00 C ATOM 1504 O LEU B 42 -7.450 -10.207 -8.958 1.00 0.00 O ATOM 1505 CB LEU B 42 -4.287 -10.533 -9.380 1.00 0.00 C ATOM 1506 CG LEU B 42 -3.216 -10.018 -10.365 1.00 0.00 C ATOM 1507 CD1 LEU B 42 -2.139 -11.087 -10.575 1.00 0.00 C ATOM 1508 CD2 LEU B 42 -3.824 -9.647 -11.725 1.00 0.00 C ATOM 0 H LEU B 42 -3.529 -9.042 -7.635 1.00 0.00 H new ATOM 0 HA LEU B 42 -5.513 -8.764 -9.632 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -3.792 -11.036 -8.549 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -4.902 -11.279 -9.883 1.00 0.00 H new ATOM 0 HG LEU B 42 -2.777 -9.121 -9.928 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -1.388 -10.715 -11.271 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -1.666 -11.319 -9.621 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -2.596 -11.989 -10.982 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.038 -9.289 -12.390 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -4.298 -10.525 -12.163 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.569 -8.863 -11.589 1.00 0.00 H new ATOM 1520 N SER B 43 -6.494 -10.296 -6.917 1.00 0.00 N ATOM 1521 CA SER B 43 -7.658 -10.651 -6.114 1.00 0.00 C ATOM 1522 C SER B 43 -8.644 -9.476 -6.083 1.00 0.00 C ATOM 1523 O SER B 43 -9.640 -9.505 -6.805 1.00 0.00 O ATOM 1524 CB SER B 43 -7.151 -11.111 -4.736 1.00 0.00 C ATOM 1525 OG SER B 43 -8.021 -10.918 -3.643 1.00 0.00 O ATOM 0 H SER B 43 -5.638 -10.277 -6.363 1.00 0.00 H new ATOM 0 HA SER B 43 -8.224 -11.480 -6.540 1.00 0.00 H new ATOM 0 HB2 SER B 43 -6.914 -12.173 -4.798 1.00 0.00 H new ATOM 0 HB3 SER B 43 -6.218 -10.588 -4.525 1.00 0.00 H new ATOM 0 HG SER B 43 -7.680 -10.194 -3.077 1.00 0.00 H new ATOM 1531 N THR B 44 -8.369 -8.447 -5.273 1.00 0.00 N ATOM 1532 CA THR B 44 -9.167 -7.227 -5.195 1.00 0.00 C ATOM 1533 C THR B 44 -8.373 -5.933 -5.030 1.00 0.00 C ATOM 1534 O THR B 44 -8.865 -4.859 -5.395 1.00 0.00 O ATOM 1535 CB THR B 44 -10.275 -7.312 -4.113 1.00 0.00 C ATOM 1536 OG1 THR B 44 -9.879 -7.746 -2.812 1.00 0.00 O ATOM 1537 CG2 THR B 44 -11.367 -8.275 -4.552 1.00 0.00 C ATOM 0 H THR B 44 -7.568 -8.443 -4.642 1.00 0.00 H new ATOM 0 HA THR B 44 -9.629 -7.170 -6.181 1.00 0.00 H new ATOM 0 HB THR B 44 -10.597 -6.274 -4.025 1.00 0.00 H new ATOM 0 HG1 THR B 44 -9.015 -7.345 -2.582 1.00 0.00 H new ATOM 0 HG21 THR B 44 -12.138 -8.325 -3.783 1.00 0.00 H new ATOM 0 HG22 THR B 44 -11.807 -7.925 -5.486 1.00 0.00 H new ATOM 0 HG23 THR B 44 -10.939 -9.266 -4.702 1.00 0.00 H new ATOM 1545 N LEU B 45 -7.180 -6.035 -4.448 1.00 0.00 N ATOM 1546 CA LEU B 45 -6.488 -4.921 -3.819 1.00 0.00 C ATOM 1547 C LEU B 45 -6.180 -3.792 -4.782 1.00 0.00 C ATOM 1548 O LEU B 45 -5.206 -3.837 -5.521 1.00 0.00 O ATOM 1549 CB LEU B 45 -5.250 -5.397 -3.043 1.00 0.00 C ATOM 1550 CG LEU B 45 -4.792 -4.320 -2.050 1.00 0.00 C ATOM 1551 CD1 LEU B 45 -4.539 -4.941 -0.681 1.00 0.00 C ATOM 1552 CD2 LEU B 45 -3.522 -3.604 -2.520 1.00 0.00 C ATOM 0 H LEU B 45 -6.661 -6.912 -4.402 1.00 0.00 H new ATOM 0 HA LEU B 45 -7.177 -4.493 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -5.481 -6.319 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -4.443 -5.625 -3.739 1.00 0.00 H new ATOM 0 HG LEU B 45 -5.592 -3.583 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -4.215 -4.167 0.015 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -5.458 -5.398 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -3.763 -5.702 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -3.236 -2.851 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -2.715 -4.329 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -3.710 -3.122 -3.479 1.00 0.00 H new ATOM 1564 N SER B 46 -7.003 -2.753 -4.740 1.00 0.00 N ATOM 1565 CA SER B 46 -6.881 -1.578 -5.553 1.00 0.00 C ATOM 1566 C SER B 46 -6.400 -0.470 -4.620 1.00 0.00 C ATOM 1567 O SER B 46 -6.620 -0.507 -3.407 1.00 0.00 O ATOM 1568 CB SER B 46 -8.244 -1.314 -6.191 1.00 0.00 C ATOM 1569 OG SER B 46 -8.752 -2.488 -6.812 1.00 0.00 O ATOM 0 H SER B 46 -7.803 -2.717 -4.108 1.00 0.00 H new ATOM 0 HA SER B 46 -6.168 -1.664 -6.373 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.944 -0.968 -5.431 1.00 0.00 H new ATOM 0 HB3 SER B 46 -8.156 -0.517 -6.929 1.00 0.00 H new ATOM 0 HG SER B 46 -8.871 -3.189 -6.138 1.00 0.00 H new ATOM 1575 N PHE B 47 -5.708 0.512 -5.182 1.00 0.00 N ATOM 1576 CA PHE B 47 -4.941 1.483 -4.430 1.00 0.00 C ATOM 1577 C PHE B 47 -5.511 2.877 -4.592 1.00 0.00 C ATOM 1578 O PHE B 47 -6.164 3.226 -5.578 1.00 0.00 O ATOM 1579 CB PHE B 47 -3.442 1.397 -4.745 1.00 0.00 C ATOM 1580 CG PHE B 47 -2.633 0.972 -3.532 1.00 0.00 C ATOM 1581 CD1 PHE B 47 -2.284 1.913 -2.541 1.00 0.00 C ATOM 1582 CD2 PHE B 47 -2.247 -0.373 -3.378 1.00 0.00 C ATOM 1583 CE1 PHE B 47 -1.522 1.516 -1.428 1.00 0.00 C ATOM 1584 CE2 PHE B 47 -1.471 -0.765 -2.275 1.00 0.00 C ATOM 1585 CZ PHE B 47 -1.110 0.177 -1.298 1.00 0.00 C ATOM 0 H PHE B 47 -5.666 0.654 -6.191 1.00 0.00 H new ATOM 0 HA PHE B 47 -5.031 1.237 -3.372 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.281 0.686 -5.556 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -3.088 2.366 -5.096 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -2.603 2.940 -2.637 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.549 -1.106 -4.111 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -1.253 2.239 -0.672 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -1.152 -1.792 -2.178 1.00 0.00 H new ATOM 0 HZ PHE B 47 -0.517 -0.126 -0.448 1.00 0.00 H new ATOM 1595 N VAL B 48 -5.251 3.649 -3.550 1.00 0.00 N ATOM 1596 CA VAL B 48 -5.958 4.833 -3.135 1.00 0.00 C ATOM 1597 C VAL B 48 -4.873 5.797 -2.646 1.00 0.00 C ATOM 1598 O VAL B 48 -4.304 5.605 -1.571 1.00 0.00 O ATOM 1599 CB VAL B 48 -7.034 4.457 -2.066 1.00 0.00 C ATOM 1600 CG1 VAL B 48 -8.405 5.135 -2.234 1.00 0.00 C ATOM 1601 CG2 VAL B 48 -7.447 2.988 -2.142 1.00 0.00 C ATOM 0 H VAL B 48 -4.473 3.439 -2.925 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.526 5.315 -3.931 1.00 0.00 H new ATOM 0 HB VAL B 48 -6.522 4.761 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.074 4.804 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -8.285 6.217 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -8.828 4.865 -3.202 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -8.196 2.781 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -7.865 2.778 -3.126 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -6.575 2.356 -1.976 1.00 0.00 H new ATOM 1611 N CYS B 49 -4.508 6.770 -3.484 1.00 0.00 N ATOM 1612 CA CYS B 49 -3.537 7.804 -3.123 1.00 0.00 C ATOM 1613 C CYS B 49 -4.061 8.638 -1.936 1.00 0.00 C ATOM 1614 O CYS B 49 -5.272 8.662 -1.697 1.00 0.00 O ATOM 1615 CB CYS B 49 -3.230 8.670 -4.362 1.00 0.00 C ATOM 1616 SG CYS B 49 -4.634 9.140 -5.419 1.00 0.00 S ATOM 0 H CYS B 49 -4.877 6.863 -4.430 1.00 0.00 H new ATOM 0 HA CYS B 49 -2.604 7.345 -2.798 1.00 0.00 H new ATOM 0 HB2 CYS B 49 -2.742 9.584 -4.023 1.00 0.00 H new ATOM 0 HB3 CYS B 49 -2.508 8.134 -4.978 1.00 0.00 H new ATOM 1621 N PRO B 50 -3.200 9.378 -1.204 1.00 0.00 N ATOM 1622 CA PRO B 50 -3.629 10.139 -0.027 1.00 0.00 C ATOM 1623 C PRO B 50 -4.797 11.116 -0.264 1.00 0.00 C ATOM 1624 O PRO B 50 -5.540 11.413 0.675 1.00 0.00 O ATOM 1625 CB PRO B 50 -2.374 10.830 0.526 1.00 0.00 C ATOM 1626 CG PRO B 50 -1.316 10.656 -0.564 1.00 0.00 C ATOM 1627 CD PRO B 50 -1.741 9.368 -1.263 1.00 0.00 C ATOM 0 HA PRO B 50 -4.058 9.450 0.701 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -2.561 11.884 0.730 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -2.054 10.376 1.464 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -1.304 11.502 -1.252 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -0.314 10.573 -0.143 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -1.387 9.341 -2.293 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -1.330 8.491 -0.762 1.00 0.00 H new ATOM 1635 N TRP B 51 -5.011 11.570 -1.507 1.00 0.00 N ATOM 1636 CA TRP B 51 -6.165 12.369 -1.896 1.00 0.00 C ATOM 1637 C TRP B 51 -7.471 11.592 -1.670 1.00 0.00 C ATOM 1638 O TRP B 51 -8.263 11.969 -0.805 1.00 0.00 O ATOM 1639 CB TRP B 51 -6.006 12.838 -3.351 1.00 0.00 C ATOM 1640 CG TRP B 51 -7.160 13.614 -3.909 1.00 0.00 C ATOM 1641 CD1 TRP B 51 -8.081 14.284 -3.184 1.00 0.00 C ATOM 1642 CD2 TRP B 51 -7.559 13.786 -5.305 1.00 0.00 C ATOM 1643 NE1 TRP B 51 -9.042 14.811 -4.014 1.00 0.00 N ATOM 1644 CE2 TRP B 51 -8.765 14.551 -5.340 1.00 0.00 C ATOM 1645 CE3 TRP B 51 -7.028 13.367 -6.544 1.00 0.00 C ATOM 1646 CZ2 TRP B 51 -9.414 14.874 -6.543 1.00 0.00 C ATOM 1647 CZ3 TRP B 51 -7.666 13.690 -7.757 1.00 0.00 C ATOM 1648 CH2 TRP B 51 -8.856 14.440 -7.757 1.00 0.00 C ATOM 0 H TRP B 51 -4.371 11.385 -2.279 1.00 0.00 H new ATOM 0 HA TRP B 51 -6.219 13.256 -1.265 1.00 0.00 H new ATOM 0 HB2 TRP B 51 -5.109 13.454 -3.420 1.00 0.00 H new ATOM 0 HB3 TRP B 51 -5.841 11.963 -3.980 1.00 0.00 H new ATOM 0 HD1 TRP B 51 -8.065 14.390 -2.109 1.00 0.00 H new ATOM 0 HE1 TRP B 51 -9.858 15.330 -3.690 1.00 0.00 H new ATOM 0 HE3 TRP B 51 -6.116 12.788 -6.562 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 -10.329 15.448 -6.535 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 -7.239 13.360 -8.693 1.00 0.00 H new ATOM 0 HH2 TRP B 51 -9.341 14.682 -8.691 1.00 0.00 H new ATOM 1659 N CYS B 52 -7.697 10.497 -2.406 1.00 0.00 N ATOM 1660 CA CYS B 52 -8.865 9.636 -2.207 1.00 0.00 C ATOM 1661 C CYS B 52 -8.859 8.954 -0.851 1.00 0.00 C ATOM 1662 O CYS B 52 -9.911 8.519 -0.378 1.00 0.00 O ATOM 1663 CB CYS B 52 -8.939 8.531 -3.250 1.00 0.00 C ATOM 1664 SG CYS B 52 -7.385 7.959 -3.934 1.00 0.00 S ATOM 0 H CYS B 52 -7.077 10.185 -3.153 1.00 0.00 H new ATOM 0 HA CYS B 52 -9.722 10.305 -2.289 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -9.449 7.677 -2.804 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -9.563 8.881 -4.072 1.00 0.00 H new ATOM 1669 N ALA B 53 -7.704 8.835 -0.198 1.00 0.00 N ATOM 1670 CA ALA B 53 -7.735 8.363 1.165 1.00 0.00 C ATOM 1671 C ALA B 53 -8.485 9.378 2.045 1.00 0.00 C ATOM 1672 O ALA B 53 -9.357 9.008 2.837 1.00 0.00 O ATOM 1673 CB ALA B 53 -6.321 8.105 1.675 1.00 0.00 C ATOM 0 H ALA B 53 -6.781 9.050 -0.576 1.00 0.00 H new ATOM 0 HA ALA B 53 -8.270 7.414 1.210 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -6.365 7.750 2.705 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -5.841 7.351 1.051 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -5.745 9.030 1.634 1.00 0.00 H new ATOM 1679 N THR B 54 -8.184 10.664 1.843 1.00 0.00 N ATOM 1680 CA THR B 54 -8.761 11.793 2.563 1.00 0.00 C ATOM 1681 C THR B 54 -10.184 12.144 2.080 1.00 0.00 C ATOM 1682 O THR B 54 -10.907 12.831 2.799 1.00 0.00 O ATOM 1683 CB THR B 54 -7.799 12.997 2.422 1.00 0.00 C ATOM 1684 OG1 THR B 54 -6.471 12.606 2.723 1.00 0.00 O ATOM 1685 CG2 THR B 54 -8.127 14.165 3.359 1.00 0.00 C ATOM 0 H THR B 54 -7.502 10.955 1.142 1.00 0.00 H new ATOM 0 HA THR B 54 -8.872 11.523 3.613 1.00 0.00 H new ATOM 0 HB THR B 54 -7.914 13.327 1.389 1.00 0.00 H new ATOM 0 HG1 THR B 54 -5.960 12.516 1.892 1.00 0.00 H new ATOM 0 HG21 THR B 54 -7.409 14.970 3.202 1.00 0.00 H new ATOM 0 HG22 THR B 54 -9.133 14.529 3.149 1.00 0.00 H new ATOM 0 HG23 THR B 54 -8.072 13.828 4.394 1.00 0.00 H new ATOM 1693 N ASN B 55 -10.611 11.753 0.867 1.00 0.00 N ATOM 1694 CA ASN B 55 -11.894 12.206 0.277 1.00 0.00 C ATOM 1695 C ASN B 55 -12.874 11.079 -0.030 1.00 0.00 C ATOM 1696 O ASN B 55 -14.048 11.344 -0.276 1.00 0.00 O ATOM 1697 CB ASN B 55 -11.641 13.027 -1.000 1.00 0.00 C ATOM 1698 CG ASN B 55 -10.948 14.363 -0.764 1.00 0.00 C ATOM 1699 OD1 ASN B 55 -10.675 15.102 -1.703 1.00 0.00 O ATOM 1700 ND2 ASN B 55 -10.635 14.703 0.480 1.00 0.00 N ATOM 0 H ASN B 55 -10.084 11.118 0.267 1.00 0.00 H new ATOM 0 HA ASN B 55 -12.362 12.824 1.043 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -11.035 12.433 -1.684 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -12.595 13.209 -1.495 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -10.162 15.588 0.663 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -10.868 14.079 1.253 1.00 0.00 H new ATOM 1707 N GLN B 56 -12.383 9.846 0.035 1.00 0.00 N ATOM 1708 CA GLN B 56 -12.966 8.666 -0.609 1.00 0.00 C ATOM 1709 C GLN B 56 -13.034 8.881 -2.128 1.00 0.00 C ATOM 1710 O GLN B 56 -13.816 8.166 -2.785 1.00 0.00 O ATOM 1711 CB GLN B 56 -14.276 8.244 0.096 1.00 0.00 C ATOM 1712 CG GLN B 56 -14.730 6.813 -0.245 1.00 0.00 C ATOM 1713 CD GLN B 56 -15.686 6.233 0.798 1.00 0.00 C ATOM 1714 OE1 GLN B 56 -15.313 6.021 1.953 1.00 0.00 O ATOM 1715 NE2 GLN B 56 -16.919 5.931 0.412 1.00 0.00 N ATOM 0 H GLN B 56 -11.534 9.629 0.558 1.00 0.00 H new ATOM 0 HA GLN B 56 -12.325 7.793 -0.487 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -14.140 8.325 1.174 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -15.067 8.942 -0.179 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -15.219 6.814 -1.219 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -13.855 6.169 -0.328 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -17.212 6.113 -0.548 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -17.574 5.517 1.075 1.00 0.00 H new TER 1724 GLN B 56 HETATM 1725 ZN ZN A 57 7.414 8.389 5.303 1.00 0.00 ZN HETATM 1726 ZN ZN B 57 -6.600 7.901 -6.288 1.00 0.00 ZN