USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 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 20 ASN :FLIP amide:sc= 0 F(o=-2,f=1.2) USER MOD Set 1.2: B 20 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0089) USER MOD Set 2.1: B 19 GLN : amide:sc= 1 K(o=3.1,f=-0.67!) USER MOD Set 2.2: B 22 HIS : +bothHN:sc= 2.08 K(o=3.1,f=-12!) USER MOD Single : A 0 GLY N :NH3+ -108:sc= 0.0497 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 80:sc= 0.127 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 19 GLN : amide:sc= 0.167 X(o=0.17,f=-0.044) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HE2:sc= 1.15 K(o=1.1,f=-4.8!) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 0 GLY N :NH3+ -121:sc= 0.114 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 SER OG : rot 180:sc= 0.0206 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ -169:sc=-0.00652 (180deg=-0.113) USER MOD Single : B 15 SER OG : rot 80:sc= 1.12 USER MOD Single : B 17 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= 0.828 K(o=0.83,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -21.099 -0.661 8.307 1.00 0.00 N ATOM 2 CA GLY A 0 -21.650 0.451 7.501 1.00 0.00 C ATOM 3 C GLY A 0 -23.055 0.163 7.023 1.00 0.00 C ATOM 4 O GLY A 0 -23.433 -1.002 6.859 1.00 0.00 O ATOM 0 H1 GLY A 0 -21.055 -0.377 9.306 1.00 0.00 H new ATOM 0 H2 GLY A 0 -21.712 -1.496 8.211 1.00 0.00 H new ATOM 0 H3 GLY A 0 -20.143 -0.893 7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -21.650 1.364 8.096 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -21.004 0.630 6.641 1.00 0.00 H new ATOM 7 N ALA A 1 -23.835 1.216 6.800 1.00 0.00 N ATOM 8 CA ALA A 1 -25.216 1.065 6.357 1.00 0.00 C ATOM 9 C ALA A 1 -25.714 2.321 5.654 1.00 0.00 C ATOM 10 O ALA A 1 -26.391 2.241 4.627 1.00 0.00 O ATOM 11 CB ALA A 1 -26.115 0.733 7.538 1.00 0.00 C ATOM 0 H ALA A 1 -23.534 2.183 6.919 1.00 0.00 H new ATOM 0 HA ALA A 1 -25.250 0.244 5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -27.143 0.623 7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -25.784 -0.199 7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -26.063 1.537 8.272 1.00 0.00 H new ATOM 17 N GLY A 2 -25.391 3.478 6.214 1.00 0.00 N ATOM 18 CA GLY A 2 -25.842 4.729 5.639 1.00 0.00 C ATOM 19 C GLY A 2 -24.922 5.234 4.544 1.00 0.00 C ATOM 20 O GLY A 2 -23.897 4.615 4.247 1.00 0.00 O ATOM 0 H GLY A 2 -24.824 3.573 7.057 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -26.845 4.597 5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -25.912 5.481 6.425 1.00 0.00 H new ATOM 24 N SER A 3 -25.275 6.374 3.959 1.00 0.00 N ATOM 25 CA SER A 3 -24.492 6.956 2.878 1.00 0.00 C ATOM 26 C SER A 3 -23.130 7.413 3.389 1.00 0.00 C ATOM 27 O SER A 3 -22.161 7.486 2.631 1.00 0.00 O ATOM 28 CB SER A 3 -25.243 8.136 2.260 1.00 0.00 C ATOM 29 OG SER A 3 -26.562 7.766 1.891 1.00 0.00 O ATOM 0 H SER A 3 -26.101 6.914 4.217 1.00 0.00 H new ATOM 0 HA SER A 3 -24.338 6.194 2.114 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.279 8.961 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.704 8.495 1.383 1.00 0.00 H new ATOM 0 HG SER A 3 -27.021 8.538 1.500 1.00 0.00 H new ATOM 35 N SER A 4 -23.061 7.699 4.685 1.00 0.00 N ATOM 36 CA SER A 4 -21.818 8.119 5.313 1.00 0.00 C ATOM 37 C SER A 4 -20.779 7.003 5.255 1.00 0.00 C ATOM 38 O SER A 4 -19.576 7.260 5.228 1.00 0.00 O ATOM 39 CB SER A 4 -22.077 8.524 6.764 1.00 0.00 C ATOM 40 OG SER A 4 -23.093 9.511 6.840 1.00 0.00 O ATOM 0 H SER A 4 -23.856 7.647 5.321 1.00 0.00 H new ATOM 0 HA SER A 4 -21.428 8.978 4.767 1.00 0.00 H new ATOM 0 HB2 SER A 4 -22.371 7.649 7.343 1.00 0.00 H new ATOM 0 HB3 SER A 4 -21.158 8.907 7.209 1.00 0.00 H new ATOM 0 HG SER A 4 -23.244 9.754 7.777 1.00 0.00 H new ATOM 46 N SER A 5 -21.252 5.761 5.227 1.00 0.00 N ATOM 47 CA SER A 5 -20.371 4.614 5.130 1.00 0.00 C ATOM 48 C SER A 5 -19.697 4.578 3.766 1.00 0.00 C ATOM 49 O SER A 5 -18.499 4.331 3.668 1.00 0.00 O ATOM 50 CB SER A 5 -21.159 3.329 5.375 1.00 0.00 C ATOM 51 OG SER A 5 -21.789 3.366 6.644 1.00 0.00 O ATOM 0 H SER A 5 -22.244 5.528 5.271 1.00 0.00 H new ATOM 0 HA SER A 5 -19.596 4.698 5.892 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.909 3.201 4.594 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.491 2.470 5.319 1.00 0.00 H new ATOM 0 HG SER A 5 -22.608 3.901 6.587 1.00 0.00 H new ATOM 57 N LEU A 6 -20.469 4.859 2.722 1.00 0.00 N ATOM 58 CA LEU A 6 -19.947 4.879 1.362 1.00 0.00 C ATOM 59 C LEU A 6 -18.923 6.002 1.220 1.00 0.00 C ATOM 60 O LEU A 6 -17.851 5.812 0.641 1.00 0.00 O ATOM 61 CB LEU A 6 -21.106 5.044 0.364 1.00 0.00 C ATOM 62 CG LEU A 6 -20.787 4.753 -1.109 1.00 0.00 C ATOM 63 CD1 LEU A 6 -22.068 4.461 -1.875 1.00 0.00 C ATOM 64 CD2 LEU A 6 -20.057 5.922 -1.757 1.00 0.00 C ATOM 0 H LEU A 6 -21.463 5.077 2.793 1.00 0.00 H new ATOM 0 HA LEU A 6 -19.446 3.936 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -21.919 4.387 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -21.477 6.066 0.437 1.00 0.00 H new ATOM 0 HG LEU A 6 -20.136 3.880 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -21.829 4.256 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -22.563 3.593 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -22.731 5.324 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -19.845 5.686 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -20.682 6.814 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.121 6.104 -1.229 1.00 0.00 H new ATOM 76 N GLU A 7 -19.253 7.165 1.775 1.00 0.00 N ATOM 77 CA GLU A 7 -18.357 8.314 1.754 1.00 0.00 C ATOM 78 C GLU A 7 -17.073 7.989 2.521 1.00 0.00 C ATOM 79 O GLU A 7 -15.975 8.316 2.078 1.00 0.00 O ATOM 80 CB GLU A 7 -19.060 9.531 2.366 1.00 0.00 C ATOM 81 CG GLU A 7 -18.743 10.853 1.677 1.00 0.00 C ATOM 82 CD GLU A 7 -17.303 11.298 1.842 1.00 0.00 C ATOM 83 OE1 GLU A 7 -16.934 11.733 2.953 1.00 0.00 O ATOM 84 OE2 GLU A 7 -16.544 11.242 0.852 1.00 0.00 O ATOM 0 H GLU A 7 -20.141 7.335 2.247 1.00 0.00 H new ATOM 0 HA GLU A 7 -18.093 8.547 0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -20.137 9.367 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.780 9.607 3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -18.966 10.761 0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.400 11.626 2.074 1.00 0.00 H new ATOM 91 N ALA A 8 -17.226 7.318 3.660 1.00 0.00 N ATOM 92 CA ALA A 8 -16.087 6.912 4.473 1.00 0.00 C ATOM 93 C ALA A 8 -15.200 5.925 3.723 1.00 0.00 C ATOM 94 O ALA A 8 -13.972 6.007 3.794 1.00 0.00 O ATOM 95 CB ALA A 8 -16.559 6.310 5.788 1.00 0.00 C ATOM 0 H ALA A 8 -18.132 7.044 4.040 1.00 0.00 H new ATOM 0 HA ALA A 8 -15.494 7.801 4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -15.695 6.012 6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -17.141 7.049 6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -17.179 5.437 5.586 1.00 0.00 H new ATOM 101 N VAL A 9 -15.818 4.991 3.007 1.00 0.00 N ATOM 102 CA VAL A 9 -15.070 4.038 2.194 1.00 0.00 C ATOM 103 C VAL A 9 -14.302 4.770 1.101 1.00 0.00 C ATOM 104 O VAL A 9 -13.112 4.532 0.907 1.00 0.00 O ATOM 105 CB VAL A 9 -15.990 2.968 1.557 1.00 0.00 C ATOM 106 CG1 VAL A 9 -15.210 2.078 0.601 1.00 0.00 C ATOM 107 CG2 VAL A 9 -16.654 2.126 2.633 1.00 0.00 C ATOM 0 H VAL A 9 -16.831 4.874 2.973 1.00 0.00 H new ATOM 0 HA VAL A 9 -14.372 3.525 2.856 1.00 0.00 H new ATOM 0 HB VAL A 9 -16.763 3.486 0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -15.879 1.335 0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -14.780 2.687 -0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -14.411 1.573 1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.297 1.380 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -15.889 1.626 3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -17.253 2.768 3.279 1.00 0.00 H new ATOM 117 N ARG A 10 -14.987 5.677 0.406 1.00 0.00 N ATOM 118 CA ARG A 10 -14.355 6.503 -0.619 1.00 0.00 C ATOM 119 C ARG A 10 -13.178 7.270 -0.026 1.00 0.00 C ATOM 120 O ARG A 10 -12.094 7.326 -0.612 1.00 0.00 O ATOM 121 CB ARG A 10 -15.367 7.493 -1.211 1.00 0.00 C ATOM 122 CG ARG A 10 -14.760 8.447 -2.228 1.00 0.00 C ATOM 123 CD ARG A 10 -14.549 7.785 -3.581 1.00 0.00 C ATOM 124 NE ARG A 10 -15.810 7.603 -4.300 1.00 0.00 N ATOM 125 CZ ARG A 10 -16.289 8.478 -5.188 1.00 0.00 C ATOM 126 NH1 ARG A 10 -15.593 9.568 -5.491 1.00 0.00 N ATOM 127 NH2 ARG A 10 -17.458 8.257 -5.773 1.00 0.00 N ATOM 0 H ARG A 10 -15.982 5.858 0.535 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.995 5.848 -1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.174 6.935 -1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -15.812 8.072 -0.402 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.412 9.312 -2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.805 8.816 -1.853 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.873 8.393 -4.182 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.068 6.817 -3.441 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.354 6.761 -4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.691 9.738 -5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.960 10.235 -6.169 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -17.992 7.418 -5.545 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.823 8.926 -6.451 1.00 0.00 H new ATOM 141 N ARG A 11 -13.411 7.854 1.141 1.00 0.00 N ATOM 142 CA ARG A 11 -12.385 8.592 1.859 1.00 0.00 C ATOM 143 C ARG A 11 -11.185 7.692 2.135 1.00 0.00 C ATOM 144 O ARG A 11 -10.047 8.033 1.810 1.00 0.00 O ATOM 145 CB ARG A 11 -12.948 9.117 3.184 1.00 0.00 C ATOM 146 CG ARG A 11 -12.619 10.572 3.461 1.00 0.00 C ATOM 147 CD ARG A 11 -13.452 11.501 2.596 1.00 0.00 C ATOM 148 NE ARG A 11 -13.030 12.891 2.738 1.00 0.00 N ATOM 149 CZ ARG A 11 -13.857 13.908 2.980 1.00 0.00 C ATOM 150 NH1 ARG A 11 -15.160 13.697 3.121 1.00 0.00 N ATOM 151 NH2 ARG A 11 -13.380 15.141 3.074 1.00 0.00 N ATOM 0 H ARG A 11 -14.314 7.829 1.614 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.066 9.434 1.244 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.031 8.994 3.181 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.560 8.506 3.999 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.798 10.793 4.513 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.560 10.750 3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.368 11.200 1.552 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.503 11.410 2.870 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.035 13.098 2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.535 12.751 3.044 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.786 14.480 3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.381 15.311 2.961 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.012 15.920 3.259 1.00 0.00 H new ATOM 165 N LYS A 12 -11.462 6.527 2.708 1.00 0.00 N ATOM 166 CA LYS A 12 -10.417 5.589 3.089 1.00 0.00 C ATOM 167 C LYS A 12 -9.650 5.076 1.874 1.00 0.00 C ATOM 168 O LYS A 12 -8.426 5.105 1.867 1.00 0.00 O ATOM 169 CB LYS A 12 -11.004 4.412 3.873 1.00 0.00 C ATOM 170 CG LYS A 12 -9.963 3.377 4.276 1.00 0.00 C ATOM 171 CD LYS A 12 -10.564 2.274 5.129 1.00 0.00 C ATOM 172 CE LYS A 12 -11.025 2.803 6.477 1.00 0.00 C ATOM 173 NZ LYS A 12 -11.627 1.732 7.312 1.00 0.00 N ATOM 0 H LYS A 12 -12.408 6.209 2.919 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.717 6.127 3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.495 4.791 4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.772 3.929 3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.517 2.942 3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.159 3.865 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.408 1.826 4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.827 1.485 5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.178 3.242 7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.754 3.599 6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.929 2.131 8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.450 1.330 6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.923 0.984 7.478 1.00 0.00 H new ATOM 187 N ILE A 13 -10.362 4.621 0.844 1.00 0.00 N ATOM 188 CA ILE A 13 -9.701 4.032 -0.319 1.00 0.00 C ATOM 189 C ILE A 13 -8.809 5.047 -1.022 1.00 0.00 C ATOM 190 O ILE A 13 -7.723 4.701 -1.482 1.00 0.00 O ATOM 191 CB ILE A 13 -10.691 3.418 -1.338 1.00 0.00 C ATOM 192 CG1 ILE A 13 -11.661 4.474 -1.877 1.00 0.00 C ATOM 193 CG2 ILE A 13 -11.447 2.261 -0.702 1.00 0.00 C ATOM 194 CD1 ILE A 13 -12.587 3.955 -2.957 1.00 0.00 C ATOM 0 H ILE A 13 -11.380 4.648 0.790 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.089 3.219 0.073 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.118 3.038 -2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -12.260 4.860 -1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -11.088 5.312 -2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.141 1.837 -1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.740 1.495 -0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.003 2.622 0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.244 4.758 -3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -11.997 3.596 -3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.187 3.137 -2.559 1.00 0.00 H new ATOM 206 N ARG A 14 -9.241 6.304 -1.077 1.00 0.00 N ATOM 207 CA ARG A 14 -8.435 7.344 -1.700 1.00 0.00 C ATOM 208 C ARG A 14 -7.236 7.676 -0.815 1.00 0.00 C ATOM 209 O ARG A 14 -6.134 7.928 -1.308 1.00 0.00 O ATOM 210 CB ARG A 14 -9.265 8.603 -1.963 1.00 0.00 C ATOM 211 CG ARG A 14 -8.521 9.652 -2.774 1.00 0.00 C ATOM 212 CD ARG A 14 -9.379 10.872 -3.061 1.00 0.00 C ATOM 213 NE ARG A 14 -9.770 11.575 -1.841 1.00 0.00 N ATOM 214 CZ ARG A 14 -9.356 12.801 -1.526 1.00 0.00 C ATOM 215 NH1 ARG A 14 -8.550 13.467 -2.344 1.00 0.00 N ATOM 216 NH2 ARG A 14 -9.758 13.370 -0.398 1.00 0.00 N ATOM 0 H ARG A 14 -10.134 6.623 -0.702 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.078 6.970 -2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.178 8.325 -2.490 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -9.567 9.037 -1.010 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.626 9.959 -2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.190 9.213 -3.715 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.831 11.554 -3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -10.273 10.565 -3.603 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.397 11.099 -1.193 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.245 13.040 -3.219 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.236 14.406 -2.098 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.386 12.869 0.231 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.440 14.309 -0.159 1.00 0.00 H new ATOM 230 N SER A 15 -7.454 7.657 0.494 1.00 0.00 N ATOM 231 CA SER A 15 -6.385 7.897 1.454 1.00 0.00 C ATOM 232 C SER A 15 -5.372 6.752 1.403 1.00 0.00 C ATOM 233 O SER A 15 -4.165 6.970 1.519 1.00 0.00 O ATOM 234 CB SER A 15 -6.970 8.041 2.865 1.00 0.00 C ATOM 235 OG SER A 15 -6.037 8.620 3.765 1.00 0.00 O ATOM 0 H SER A 15 -8.365 7.477 0.916 1.00 0.00 H new ATOM 0 HA SER A 15 -5.873 8.824 1.197 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.868 8.658 2.825 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.272 7.061 3.235 1.00 0.00 H new ATOM 0 HG SER A 15 -6.444 8.698 4.653 1.00 0.00 H new ATOM 241 N LEU A 16 -5.871 5.535 1.215 1.00 0.00 N ATOM 242 CA LEU A 16 -5.014 4.365 1.077 1.00 0.00 C ATOM 243 C LEU A 16 -4.219 4.435 -0.218 1.00 0.00 C ATOM 244 O LEU A 16 -3.058 4.048 -0.251 1.00 0.00 O ATOM 245 CB LEU A 16 -5.837 3.076 1.112 1.00 0.00 C ATOM 246 CG LEU A 16 -6.525 2.773 2.445 1.00 0.00 C ATOM 247 CD1 LEU A 16 -7.307 1.471 2.353 1.00 0.00 C ATOM 248 CD2 LEU A 16 -5.503 2.704 3.569 1.00 0.00 C ATOM 0 H LEU A 16 -6.869 5.334 1.155 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.322 4.358 1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.598 3.130 0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.183 2.241 0.862 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.223 3.581 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.791 1.269 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.064 1.556 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.627 0.654 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.010 2.488 4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.781 1.915 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.984 3.659 3.648 1.00 0.00 H new ATOM 260 N GLN A 17 -4.850 4.921 -1.282 1.00 0.00 N ATOM 261 CA GLN A 17 -4.162 5.128 -2.554 1.00 0.00 C ATOM 262 C GLN A 17 -3.016 6.117 -2.376 1.00 0.00 C ATOM 263 O GLN A 17 -1.910 5.892 -2.864 1.00 0.00 O ATOM 264 CB GLN A 17 -5.139 5.621 -3.621 1.00 0.00 C ATOM 265 CG GLN A 17 -6.112 4.549 -4.081 1.00 0.00 C ATOM 266 CD GLN A 17 -7.262 5.103 -4.898 1.00 0.00 C ATOM 267 OE1 GLN A 17 -7.129 6.114 -5.584 1.00 0.00 O ATOM 268 NE2 GLN A 17 -8.406 4.439 -4.831 1.00 0.00 N ATOM 0 H GLN A 17 -5.837 5.179 -1.290 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.750 4.175 -2.886 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.701 6.468 -3.227 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.576 5.985 -4.480 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.575 3.810 -4.675 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.510 4.030 -3.209 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.478 3.604 -4.250 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.216 4.763 -5.360 1.00 0.00 H new ATOM 277 N GLU A 18 -3.291 7.203 -1.656 1.00 0.00 N ATOM 278 CA GLU A 18 -2.260 8.166 -1.285 1.00 0.00 C ATOM 279 C GLU A 18 -1.151 7.464 -0.511 1.00 0.00 C ATOM 280 O GLU A 18 0.012 7.514 -0.896 1.00 0.00 O ATOM 281 CB GLU A 18 -2.869 9.291 -0.438 1.00 0.00 C ATOM 282 CG GLU A 18 -1.846 10.233 0.198 1.00 0.00 C ATOM 283 CD GLU A 18 -1.029 11.008 -0.815 1.00 0.00 C ATOM 284 OE1 GLU A 18 -1.632 11.705 -1.656 1.00 0.00 O ATOM 285 OE2 GLU A 18 0.221 10.951 -0.758 1.00 0.00 O ATOM 0 H GLU A 18 -4.224 7.437 -1.317 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.838 8.602 -2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.542 9.876 -1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.475 8.846 0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.366 10.936 0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.173 9.653 0.829 1.00 0.00 H new ATOM 292 N GLN A 19 -1.539 6.780 0.559 1.00 0.00 N ATOM 293 CA GLN A 19 -0.597 6.081 1.421 1.00 0.00 C ATOM 294 C GLN A 19 0.227 5.063 0.635 1.00 0.00 C ATOM 295 O GLN A 19 1.435 4.962 0.829 1.00 0.00 O ATOM 296 CB GLN A 19 -1.353 5.388 2.559 1.00 0.00 C ATOM 297 CG GLN A 19 -0.458 4.645 3.542 1.00 0.00 C ATOM 298 CD GLN A 19 0.557 5.546 4.225 1.00 0.00 C ATOM 299 OE1 GLN A 19 0.274 6.148 5.260 1.00 0.00 O ATOM 300 NE2 GLN A 19 1.748 5.639 3.650 1.00 0.00 N ATOM 0 H GLN A 19 -2.512 6.695 0.852 1.00 0.00 H new ATOM 0 HA GLN A 19 0.093 6.814 1.839 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -1.931 6.135 3.104 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.066 4.684 2.130 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.079 4.168 4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.069 3.850 3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.942 5.123 2.792 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.471 6.227 4.066 1.00 0.00 H new ATOM 309 N ASN A 20 -0.422 4.325 -0.256 1.00 0.00 N ATOM 310 CA ASN A 20 0.258 3.294 -1.038 1.00 0.00 C ATOM 311 C ASN A 20 1.220 3.909 -2.040 1.00 0.00 C ATOM 312 O ASN A 20 2.406 3.599 -2.021 1.00 0.00 O ATOM 313 CB ASN A 20 -0.750 2.386 -1.755 1.00 0.00 C ATOM 314 CG ASN A 20 -1.294 1.294 -0.848 1.00 0.00 C ATOM 315 OD1 ASN A 20 -1.324 1.560 0.448 1.00 0.00 O flip ATOM 316 ND2 ASN A 20 -1.676 0.220 -1.309 1.00 0.00 N flip ATOM 0 H ASN A 20 -1.418 4.419 -0.457 1.00 0.00 H new ATOM 0 HA ASN A 20 0.833 2.684 -0.341 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.577 2.990 -2.128 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.272 1.930 -2.622 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.637 0.054 -2.315 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.032 -0.505 -0.686 1.00 0.00 H new ATOM 323 N TYR A 21 0.718 4.796 -2.892 1.00 0.00 N ATOM 324 CA TYR A 21 1.553 5.454 -3.896 1.00 0.00 C ATOM 325 C TYR A 21 2.718 6.176 -3.226 1.00 0.00 C ATOM 326 O TYR A 21 3.871 6.085 -3.662 1.00 0.00 O ATOM 327 CB TYR A 21 0.714 6.443 -4.712 1.00 0.00 C ATOM 328 CG TYR A 21 1.458 7.098 -5.859 1.00 0.00 C ATOM 329 CD1 TYR A 21 1.598 6.447 -7.079 1.00 0.00 C ATOM 330 CD2 TYR A 21 2.009 8.367 -5.726 1.00 0.00 C ATOM 331 CE1 TYR A 21 2.269 7.041 -8.131 1.00 0.00 C ATOM 332 CE2 TYR A 21 2.680 8.967 -6.775 1.00 0.00 C ATOM 333 CZ TYR A 21 2.806 8.300 -7.975 1.00 0.00 C ATOM 334 OH TYR A 21 3.470 8.896 -9.024 1.00 0.00 O ATOM 0 H TYR A 21 -0.262 5.077 -2.909 1.00 0.00 H new ATOM 0 HA TYR A 21 1.955 4.696 -4.568 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.156 5.921 -5.110 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.341 7.221 -4.046 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.176 5.461 -7.207 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.911 8.893 -4.788 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.372 6.520 -9.072 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.103 9.953 -6.655 1.00 0.00 H new ATOM 0 HH TYR A 21 3.786 9.782 -8.750 1.00 0.00 H new ATOM 344 N HIS A 22 2.405 6.875 -2.143 1.00 0.00 N ATOM 345 CA HIS A 22 3.401 7.602 -1.375 1.00 0.00 C ATOM 346 C HIS A 22 4.447 6.641 -0.823 1.00 0.00 C ATOM 347 O HIS A 22 5.643 6.912 -0.879 1.00 0.00 O ATOM 348 CB HIS A 22 2.724 8.338 -0.218 1.00 0.00 C ATOM 349 CG HIS A 22 3.397 9.608 0.182 1.00 0.00 C ATOM 350 ND1 HIS A 22 2.774 10.831 0.102 1.00 0.00 N ATOM 351 CD2 HIS A 22 4.631 9.847 0.683 1.00 0.00 C ATOM 352 CE1 HIS A 22 3.595 11.767 0.533 1.00 0.00 C ATOM 353 NE2 HIS A 22 4.729 11.198 0.894 1.00 0.00 N ATOM 0 H HIS A 22 1.457 6.953 -1.775 1.00 0.00 H new ATOM 0 HA HIS A 22 3.891 8.323 -2.030 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.694 8.559 -0.497 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.685 7.674 0.646 1.00 0.00 H new ATOM 0 HD1 HIS A 22 1.825 10.989 -0.238 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.396 9.111 0.880 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.376 12.823 0.582 1.00 0.00 H new ATOM 362 N LEU A 23 3.982 5.512 -0.305 1.00 0.00 N ATOM 363 CA LEU A 23 4.860 4.544 0.333 1.00 0.00 C ATOM 364 C LEU A 23 5.676 3.773 -0.696 1.00 0.00 C ATOM 365 O LEU A 23 6.837 3.475 -0.454 1.00 0.00 O ATOM 366 CB LEU A 23 4.054 3.574 1.200 1.00 0.00 C ATOM 367 CG LEU A 23 4.884 2.594 2.029 1.00 0.00 C ATOM 368 CD1 LEU A 23 5.857 3.345 2.922 1.00 0.00 C ATOM 369 CD2 LEU A 23 3.975 1.708 2.864 1.00 0.00 C ATOM 0 H LEU A 23 2.998 5.245 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 23 5.551 5.096 0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.425 4.153 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.387 3.003 0.554 1.00 0.00 H new ATOM 0 HG LEU A 23 5.456 1.963 1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.440 2.632 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.528 3.944 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.303 3.998 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.580 1.015 3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.380 2.327 3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.312 1.145 2.207 1.00 0.00 H new ATOM 381 N GLU A 24 5.075 3.452 -1.839 1.00 0.00 N ATOM 382 CA GLU A 24 5.799 2.765 -2.907 1.00 0.00 C ATOM 383 C GLU A 24 7.004 3.593 -3.335 1.00 0.00 C ATOM 384 O GLU A 24 8.123 3.080 -3.434 1.00 0.00 O ATOM 385 CB GLU A 24 4.887 2.492 -4.110 1.00 0.00 C ATOM 386 CG GLU A 24 3.768 1.507 -3.815 1.00 0.00 C ATOM 387 CD GLU A 24 2.898 1.226 -5.023 1.00 0.00 C ATOM 388 OE1 GLU A 24 1.931 1.980 -5.258 1.00 0.00 O ATOM 389 OE2 GLU A 24 3.174 0.247 -5.749 1.00 0.00 O ATOM 0 H GLU A 24 4.098 3.654 -2.049 1.00 0.00 H new ATOM 0 HA GLU A 24 6.142 1.805 -2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.452 3.433 -4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.490 2.108 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.199 0.572 -3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.147 1.900 -3.010 1.00 0.00 H new ATOM 396 N ASN A 25 6.771 4.879 -3.571 1.00 0.00 N ATOM 397 CA ASN A 25 7.855 5.802 -3.893 1.00 0.00 C ATOM 398 C ASN A 25 8.831 5.916 -2.724 1.00 0.00 C ATOM 399 O ASN A 25 10.052 5.882 -2.912 1.00 0.00 O ATOM 400 CB ASN A 25 7.301 7.192 -4.233 1.00 0.00 C ATOM 401 CG ASN A 25 6.661 7.266 -5.609 1.00 0.00 C ATOM 402 OD1 ASN A 25 6.150 6.276 -6.133 1.00 0.00 O ATOM 403 ND2 ASN A 25 6.684 8.448 -6.206 1.00 0.00 N ATOM 0 H ASN A 25 5.845 5.306 -3.546 1.00 0.00 H new ATOM 0 HA ASN A 25 8.382 5.407 -4.761 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.564 7.475 -3.482 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.109 7.921 -4.177 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.269 8.560 -7.131 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.116 9.246 -5.741 1.00 0.00 H new ATOM 410 N GLU A 26 8.282 6.032 -1.519 1.00 0.00 N ATOM 411 CA GLU A 26 9.078 6.183 -0.307 1.00 0.00 C ATOM 412 C GLU A 26 9.990 4.977 -0.088 1.00 0.00 C ATOM 413 O GLU A 26 11.209 5.124 -0.015 1.00 0.00 O ATOM 414 CB GLU A 26 8.161 6.391 0.904 1.00 0.00 C ATOM 415 CG GLU A 26 8.901 6.611 2.212 1.00 0.00 C ATOM 416 CD GLU A 26 7.980 7.042 3.338 1.00 0.00 C ATOM 417 OE1 GLU A 26 7.435 6.165 4.043 1.00 0.00 O ATOM 418 OE2 GLU A 26 7.801 8.264 3.527 1.00 0.00 O ATOM 0 H GLU A 26 7.275 6.024 -1.356 1.00 0.00 H new ATOM 0 HA GLU A 26 9.713 7.061 -0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.516 7.249 0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.512 5.522 1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.410 5.690 2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.671 7.369 2.067 1.00 0.00 H new ATOM 425 N VAL A 27 9.401 3.788 -0.014 1.00 0.00 N ATOM 426 CA VAL A 27 10.163 2.577 0.264 1.00 0.00 C ATOM 427 C VAL A 27 11.199 2.323 -0.830 1.00 0.00 C ATOM 428 O VAL A 27 12.309 1.876 -0.539 1.00 0.00 O ATOM 429 CB VAL A 27 9.249 1.333 0.443 1.00 0.00 C ATOM 430 CG1 VAL A 27 8.538 0.962 -0.850 1.00 0.00 C ATOM 431 CG2 VAL A 27 10.048 0.150 0.969 1.00 0.00 C ATOM 0 H VAL A 27 8.400 3.638 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 27 10.680 2.739 1.210 1.00 0.00 H new ATOM 0 HB VAL A 27 8.485 1.594 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.909 0.088 -0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.918 1.797 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.276 0.735 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.389 -0.710 1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.842 -0.095 0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.486 0.407 1.934 1.00 0.00 H new ATOM 441 N ALA A 28 10.850 2.642 -2.077 1.00 0.00 N ATOM 442 CA ALA A 28 11.775 2.484 -3.190 1.00 0.00 C ATOM 443 C ALA A 28 13.026 3.323 -2.975 1.00 0.00 C ATOM 444 O ALA A 28 14.148 2.834 -3.108 1.00 0.00 O ATOM 445 CB ALA A 28 11.107 2.872 -4.498 1.00 0.00 C ATOM 0 H ALA A 28 9.935 3.010 -2.337 1.00 0.00 H new ATOM 0 HA ALA A 28 12.065 1.435 -3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.814 2.747 -5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.239 2.234 -4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.788 3.913 -4.449 1.00 0.00 H new ATOM 451 N ARG A 29 12.826 4.582 -2.618 1.00 0.00 N ATOM 452 CA ARG A 29 13.934 5.505 -2.425 1.00 0.00 C ATOM 453 C ARG A 29 14.642 5.246 -1.099 1.00 0.00 C ATOM 454 O ARG A 29 15.833 5.526 -0.962 1.00 0.00 O ATOM 455 CB ARG A 29 13.431 6.941 -2.516 1.00 0.00 C ATOM 456 CG ARG A 29 12.851 7.258 -3.883 1.00 0.00 C ATOM 457 CD ARG A 29 12.153 8.604 -3.914 1.00 0.00 C ATOM 458 NE ARG A 29 11.569 8.864 -5.229 1.00 0.00 N ATOM 459 CZ ARG A 29 10.480 9.594 -5.436 1.00 0.00 C ATOM 460 NH1 ARG A 29 9.816 10.110 -4.409 1.00 0.00 N ATOM 461 NH2 ARG A 29 10.047 9.787 -6.677 1.00 0.00 N ATOM 0 H ARG A 29 11.905 4.989 -2.456 1.00 0.00 H new ATOM 0 HA ARG A 29 14.667 5.344 -3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.671 7.107 -1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.252 7.626 -2.303 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.649 7.248 -4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.144 6.478 -4.165 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.372 8.630 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.864 9.392 -3.666 1.00 0.00 H new ATOM 0 HE ARG A 29 12.030 8.457 -6.043 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.142 9.946 -3.457 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.980 10.670 -4.572 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.551 9.375 -7.463 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.211 10.347 -6.844 1.00 0.00 H new ATOM 475 N LEU A 30 13.913 4.697 -0.137 1.00 0.00 N ATOM 476 CA LEU A 30 14.497 4.305 1.139 1.00 0.00 C ATOM 477 C LEU A 30 15.506 3.177 0.950 1.00 0.00 C ATOM 478 O LEU A 30 16.656 3.286 1.373 1.00 0.00 O ATOM 479 CB LEU A 30 13.407 3.870 2.125 1.00 0.00 C ATOM 480 CG LEU A 30 13.095 4.871 3.243 1.00 0.00 C ATOM 481 CD1 LEU A 30 12.641 6.206 2.670 1.00 0.00 C ATOM 482 CD2 LEU A 30 12.041 4.305 4.180 1.00 0.00 C ATOM 0 H LEU A 30 12.913 4.512 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 30 15.015 5.172 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.491 3.678 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.707 2.926 2.579 1.00 0.00 H new ATOM 0 HG LEU A 30 14.009 5.043 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.426 6.897 3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.430 6.619 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.741 6.058 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.830 5.027 4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.128 4.102 3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.408 3.380 4.624 1.00 0.00 H new ATOM 494 N LYS A 31 15.082 2.096 0.294 1.00 0.00 N ATOM 495 CA LYS A 31 15.980 0.971 0.047 1.00 0.00 C ATOM 496 C LYS A 31 17.031 1.346 -0.989 1.00 0.00 C ATOM 497 O LYS A 31 18.088 0.725 -1.067 1.00 0.00 O ATOM 498 CB LYS A 31 15.205 -0.297 -0.360 1.00 0.00 C ATOM 499 CG LYS A 31 14.309 -0.161 -1.587 1.00 0.00 C ATOM 500 CD LYS A 31 15.074 -0.336 -2.891 1.00 0.00 C ATOM 501 CE LYS A 31 14.131 -0.346 -4.082 1.00 0.00 C ATOM 502 NZ LYS A 31 14.852 -0.520 -5.370 1.00 0.00 N ATOM 0 H LYS A 31 14.137 1.977 -0.070 1.00 0.00 H new ATOM 0 HA LYS A 31 16.494 0.738 0.979 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.923 -1.096 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.590 -0.610 0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.512 -0.903 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.833 0.819 -1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 31 15.797 0.472 -3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 31 15.639 -1.268 -2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.406 -1.151 -3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.569 0.588 -4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.168 -0.521 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.526 0.262 -5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.368 -1.423 -5.360 1.00 0.00 H new ATOM 516 N LYS A 32 16.735 2.372 -1.777 1.00 0.00 N ATOM 517 CA LYS A 32 17.713 2.939 -2.693 1.00 0.00 C ATOM 518 C LYS A 32 18.858 3.576 -1.907 1.00 0.00 C ATOM 519 O LYS A 32 20.031 3.402 -2.244 1.00 0.00 O ATOM 520 CB LYS A 32 17.046 3.992 -3.584 1.00 0.00 C ATOM 521 CG LYS A 32 17.995 4.678 -4.553 1.00 0.00 C ATOM 522 CD LYS A 32 18.525 3.707 -5.587 1.00 0.00 C ATOM 523 CE LYS A 32 19.442 4.399 -6.580 1.00 0.00 C ATOM 524 NZ LYS A 32 19.913 3.468 -7.633 1.00 0.00 N ATOM 0 H LYS A 32 15.823 2.828 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 32 18.112 2.142 -3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 32 16.245 3.518 -4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.583 4.748 -2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.478 5.497 -5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 32 18.827 5.115 -4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 32 19.067 2.903 -5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.691 3.248 -6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.915 5.234 -7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 32 20.300 4.816 -6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 20.536 3.976 -8.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 20.438 2.685 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.096 3.089 -8.152 1.00 0.00 H new ATOM 538 N LEU A 33 18.503 4.301 -0.855 1.00 0.00 N ATOM 539 CA LEU A 33 19.477 5.022 -0.048 1.00 0.00 C ATOM 540 C LEU A 33 20.270 4.053 0.828 1.00 0.00 C ATOM 541 O LEU A 33 21.499 4.057 0.813 1.00 0.00 O ATOM 542 CB LEU A 33 18.753 6.077 0.813 1.00 0.00 C ATOM 543 CG LEU A 33 19.624 7.198 1.403 1.00 0.00 C ATOM 544 CD1 LEU A 33 20.489 6.692 2.551 1.00 0.00 C ATOM 545 CD2 LEU A 33 20.489 7.825 0.320 1.00 0.00 C ATOM 0 H LEU A 33 17.539 4.406 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 33 20.183 5.529 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.973 6.536 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.256 5.563 1.636 1.00 0.00 H new ATOM 0 HG LEU A 33 18.956 7.960 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 33 21.091 7.512 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 33 19.850 6.301 3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 33 21.146 5.901 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 33 21.099 8.617 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 33 21.137 7.064 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 33 19.851 8.244 -0.458 1.00 0.00 H new ATOM 557 N VAL A 34 19.564 3.219 1.580 1.00 0.00 N ATOM 558 CA VAL A 34 20.217 2.307 2.514 1.00 0.00 C ATOM 559 C VAL A 34 20.906 1.155 1.777 1.00 0.00 C ATOM 560 O VAL A 34 21.912 0.620 2.246 1.00 0.00 O ATOM 561 CB VAL A 34 19.217 1.748 3.561 1.00 0.00 C ATOM 562 CG1 VAL A 34 18.172 0.853 2.910 1.00 0.00 C ATOM 563 CG2 VAL A 34 19.948 1.006 4.672 1.00 0.00 C ATOM 0 H VAL A 34 18.546 3.154 1.563 1.00 0.00 H new ATOM 0 HA VAL A 34 20.976 2.884 3.042 1.00 0.00 H new ATOM 0 HB VAL A 34 18.697 2.597 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.488 0.479 3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.613 1.425 2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.666 0.013 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 34 19.224 0.625 5.392 1.00 0.00 H new ATOM 0 HG22 VAL A 34 20.509 0.174 4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 34 20.635 1.688 5.174 1.00 0.00 H new ATOM 573 N GLY A 35 20.371 0.790 0.618 1.00 0.00 N ATOM 574 CA GLY A 35 20.924 -0.314 -0.141 1.00 0.00 C ATOM 575 C GLY A 35 22.068 0.112 -1.033 1.00 0.00 C ATOM 576 O GLY A 35 23.072 -0.600 -1.133 1.00 0.00 O ATOM 0 H GLY A 35 19.562 1.241 0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.271 -1.085 0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.139 -0.761 -0.751 1.00 0.00 H new ATOM 580 N GLU A 36 21.920 1.270 -1.680 1.00 0.00 N ATOM 581 CA GLU A 36 22.935 1.793 -2.596 1.00 0.00 C ATOM 582 C GLU A 36 23.134 0.864 -3.790 1.00 0.00 C ATOM 583 O GLU A 36 22.308 -0.013 -4.061 1.00 0.00 O ATOM 584 CB GLU A 36 24.269 1.996 -1.871 1.00 0.00 C ATOM 585 CG GLU A 36 24.239 3.098 -0.836 1.00 0.00 C ATOM 586 CD GLU A 36 25.551 3.221 -0.098 1.00 0.00 C ATOM 587 OE1 GLU A 36 26.599 3.378 -0.757 1.00 0.00 O ATOM 588 OE2 GLU A 36 25.544 3.138 1.148 1.00 0.00 O ATOM 0 H GLU A 36 21.099 1.868 -1.585 1.00 0.00 H new ATOM 0 HA GLU A 36 22.579 2.756 -2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 36 24.554 1.062 -1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 36 25.041 2.222 -2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 36 24.007 4.045 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 36 23.439 2.902 -0.122 1.00 0.00 H new ATOM 595 N ARG A 37 24.208 1.094 -4.528 1.00 0.00 N ATOM 596 CA ARG A 37 24.598 0.199 -5.601 1.00 0.00 C ATOM 597 C ARG A 37 25.655 -0.763 -5.083 1.00 0.00 C ATOM 598 O ARG A 37 25.367 -1.969 -4.978 1.00 0.00 O ATOM 599 CB ARG A 37 25.151 0.968 -6.804 1.00 0.00 C ATOM 600 CG ARG A 37 25.256 0.112 -8.058 1.00 0.00 C ATOM 601 CD ARG A 37 26.375 0.581 -8.970 1.00 0.00 C ATOM 602 NE ARG A 37 27.690 0.305 -8.396 1.00 0.00 N ATOM 603 CZ ARG A 37 28.821 0.275 -9.094 1.00 0.00 C ATOM 604 NH1 ARG A 37 28.809 0.511 -10.400 1.00 0.00 N ATOM 605 NH2 ARG A 37 29.964 -0.002 -8.482 1.00 0.00 N ATOM 606 OXT ARG A 37 26.764 -0.298 -4.751 1.00 0.00 O ATOM 0 H ARG A 37 24.826 1.896 -4.402 1.00 0.00 H new ATOM 0 HA ARG A 37 23.714 -0.347 -5.932 1.00 0.00 H new ATOM 0 HB2 ARG A 37 24.508 1.824 -7.008 1.00 0.00 H new ATOM 0 HB3 ARG A 37 26.137 1.361 -6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 37 25.429 -0.926 -7.775 1.00 0.00 H new ATOM 0 HG3 ARG A 37 24.310 0.142 -8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 37 26.288 0.085 -9.937 1.00 0.00 H new ATOM 0 HD3 ARG A 37 26.274 1.651 -9.150 1.00 0.00 H new ATOM 0 HE ARG A 37 27.744 0.123 -7.394 1.00 0.00 H new ATOM 0 HH11 ARG A 37 27.929 0.717 -10.873 1.00 0.00 H new ATOM 0 HH12 ARG A 37 29.680 0.487 -10.931 1.00 0.00 H new ATOM 0 HH21 ARG A 37 29.973 -0.191 -7.480 1.00 0.00 H new ATOM 0 HH22 ARG A 37 30.834 -0.026 -9.013 1.00 0.00 H new TER 620 ARG A 37 ATOM 621 N GLY B 0 -26.036 1.051 -7.008 1.00 0.00 N ATOM 622 CA GLY B 0 -26.572 0.490 -5.746 1.00 0.00 C ATOM 623 C GLY B 0 -25.928 -0.839 -5.407 1.00 0.00 C ATOM 624 O GLY B 0 -24.999 -1.276 -6.089 1.00 0.00 O ATOM 0 H1 GLY B 0 -25.615 1.984 -6.822 1.00 0.00 H new ATOM 0 H2 GLY B 0 -25.309 0.413 -7.391 1.00 0.00 H new ATOM 0 H3 GLY B 0 -26.807 1.151 -7.699 1.00 0.00 H new ATOM 0 HA2 GLY B 0 -26.402 1.195 -4.933 1.00 0.00 H new ATOM 0 HA3 GLY B 0 -27.651 0.360 -5.834 1.00 0.00 H new ATOM 627 N ALA B 1 -26.421 -1.487 -4.357 1.00 0.00 N ATOM 628 CA ALA B 1 -25.848 -2.744 -3.897 1.00 0.00 C ATOM 629 C ALA B 1 -26.244 -3.899 -4.807 1.00 0.00 C ATOM 630 O ALA B 1 -27.427 -4.117 -5.085 1.00 0.00 O ATOM 631 CB ALA B 1 -26.268 -3.025 -2.460 1.00 0.00 C ATOM 0 H ALA B 1 -27.217 -1.161 -3.809 1.00 0.00 H new ATOM 0 HA ALA B 1 -24.763 -2.651 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -25.831 -3.968 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -25.919 -2.219 -1.815 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -27.355 -3.089 -2.405 1.00 0.00 H new ATOM 637 N GLY B 2 -25.244 -4.626 -5.274 1.00 0.00 N ATOM 638 CA GLY B 2 -25.476 -5.777 -6.118 1.00 0.00 C ATOM 639 C GLY B 2 -24.287 -6.706 -6.097 1.00 0.00 C ATOM 640 O GLY B 2 -23.256 -6.356 -5.524 1.00 0.00 O ATOM 0 H GLY B 2 -24.261 -4.436 -5.080 1.00 0.00 H new ATOM 0 HA2 GLY B 2 -26.365 -6.309 -5.779 1.00 0.00 H new ATOM 0 HA3 GLY B 2 -25.670 -5.451 -7.140 1.00 0.00 H new ATOM 644 N SER B 3 -24.417 -7.870 -6.719 1.00 0.00 N ATOM 645 CA SER B 3 -23.349 -8.866 -6.729 1.00 0.00 C ATOM 646 C SER B 3 -22.069 -8.293 -7.339 1.00 0.00 C ATOM 647 O SER B 3 -20.973 -8.488 -6.809 1.00 0.00 O ATOM 648 CB SER B 3 -23.793 -10.098 -7.520 1.00 0.00 C ATOM 649 OG SER B 3 -25.046 -10.575 -7.062 1.00 0.00 O ATOM 0 H SER B 3 -25.256 -8.151 -7.227 1.00 0.00 H new ATOM 0 HA SER B 3 -23.140 -9.151 -5.698 1.00 0.00 H new ATOM 0 HB2 SER B 3 -23.860 -9.849 -8.579 1.00 0.00 H new ATOM 0 HB3 SER B 3 -23.044 -10.884 -7.425 1.00 0.00 H new ATOM 0 HG SER B 3 -25.308 -11.361 -7.585 1.00 0.00 H new ATOM 655 N SER B 4 -22.228 -7.568 -8.440 1.00 0.00 N ATOM 656 CA SER B 4 -21.118 -6.990 -9.154 1.00 0.00 C ATOM 657 C SER B 4 -20.386 -5.996 -8.279 1.00 0.00 C ATOM 658 O SER B 4 -19.178 -5.931 -8.306 1.00 0.00 O ATOM 659 CB SER B 4 -21.626 -6.316 -10.428 1.00 0.00 C ATOM 660 OG SER B 4 -22.765 -5.514 -10.159 1.00 0.00 O ATOM 0 H SER B 4 -23.138 -7.369 -8.857 1.00 0.00 H new ATOM 0 HA SER B 4 -20.417 -7.779 -9.426 1.00 0.00 H new ATOM 0 HB2 SER B 4 -20.836 -5.700 -10.858 1.00 0.00 H new ATOM 0 HB3 SER B 4 -21.878 -7.074 -11.169 1.00 0.00 H new ATOM 0 HG SER B 4 -23.071 -5.092 -10.989 1.00 0.00 H new ATOM 666 N SER B 5 -21.134 -5.257 -7.477 1.00 0.00 N ATOM 667 CA SER B 5 -20.570 -4.228 -6.636 1.00 0.00 C ATOM 668 C SER B 5 -20.003 -4.844 -5.367 1.00 0.00 C ATOM 669 O SER B 5 -18.811 -4.755 -5.123 1.00 0.00 O ATOM 670 CB SER B 5 -21.642 -3.189 -6.292 1.00 0.00 C ATOM 671 OG SER B 5 -21.097 -2.095 -5.573 1.00 0.00 O ATOM 0 H SER B 5 -22.146 -5.357 -7.394 1.00 0.00 H new ATOM 0 HA SER B 5 -19.761 -3.732 -7.173 1.00 0.00 H new ATOM 0 HB2 SER B 5 -22.106 -2.827 -7.209 1.00 0.00 H new ATOM 0 HB3 SER B 5 -22.428 -3.658 -5.701 1.00 0.00 H new ATOM 0 HG SER B 5 -21.807 -1.450 -5.371 1.00 0.00 H new ATOM 677 N LEU B 6 -20.858 -5.527 -4.610 1.00 0.00 N ATOM 678 CA LEU B 6 -20.527 -6.006 -3.285 1.00 0.00 C ATOM 679 C LEU B 6 -19.289 -6.882 -3.303 1.00 0.00 C ATOM 680 O LEU B 6 -18.336 -6.601 -2.594 1.00 0.00 O ATOM 681 CB LEU B 6 -21.712 -6.780 -2.697 1.00 0.00 C ATOM 682 CG LEU B 6 -21.538 -7.261 -1.255 1.00 0.00 C ATOM 683 CD1 LEU B 6 -21.386 -6.081 -0.308 1.00 0.00 C ATOM 684 CD2 LEU B 6 -22.716 -8.132 -0.842 1.00 0.00 C ATOM 0 H LEU B 6 -21.805 -5.762 -4.908 1.00 0.00 H new ATOM 0 HA LEU B 6 -20.313 -5.140 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -22.597 -6.145 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -21.906 -7.646 -3.329 1.00 0.00 H new ATOM 0 HG LEU B 6 -20.629 -7.859 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -21.264 -6.446 0.712 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -20.510 -5.497 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -22.275 -5.453 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -22.578 -8.467 0.186 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -23.638 -7.555 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -22.776 -8.998 -1.501 1.00 0.00 H new ATOM 696 N GLU B 7 -19.289 -7.912 -4.144 1.00 0.00 N ATOM 697 CA GLU B 7 -18.229 -8.888 -4.141 1.00 0.00 C ATOM 698 C GLU B 7 -16.936 -8.271 -4.639 1.00 0.00 C ATOM 699 O GLU B 7 -15.872 -8.630 -4.174 1.00 0.00 O ATOM 700 CB GLU B 7 -18.621 -10.102 -4.984 1.00 0.00 C ATOM 701 CG GLU B 7 -17.671 -11.278 -4.833 1.00 0.00 C ATOM 702 CD GLU B 7 -18.237 -12.555 -5.412 1.00 0.00 C ATOM 703 OE1 GLU B 7 -18.973 -13.266 -4.690 1.00 0.00 O ATOM 704 OE2 GLU B 7 -17.945 -12.861 -6.585 1.00 0.00 O ATOM 0 H GLU B 7 -20.019 -8.084 -4.835 1.00 0.00 H new ATOM 0 HA GLU B 7 -18.067 -9.225 -3.117 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -19.626 -10.419 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -18.659 -9.809 -6.033 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -16.728 -11.045 -5.327 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -17.449 -11.429 -3.777 1.00 0.00 H new ATOM 711 N ALA B 8 -17.037 -7.313 -5.552 1.00 0.00 N ATOM 712 CA ALA B 8 -15.869 -6.636 -6.077 1.00 0.00 C ATOM 713 C ALA B 8 -15.237 -5.789 -4.994 1.00 0.00 C ATOM 714 O ALA B 8 -14.057 -5.937 -4.713 1.00 0.00 O ATOM 715 CB ALA B 8 -16.229 -5.783 -7.284 1.00 0.00 C ATOM 0 H ALA B 8 -17.922 -6.990 -5.943 1.00 0.00 H new ATOM 0 HA ALA B 8 -15.150 -7.387 -6.404 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -15.334 -5.286 -7.658 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -16.646 -6.417 -8.066 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -16.965 -5.034 -6.993 1.00 0.00 H new ATOM 721 N VAL B 9 -16.045 -4.939 -4.363 1.00 0.00 N ATOM 722 CA VAL B 9 -15.580 -4.075 -3.295 1.00 0.00 C ATOM 723 C VAL B 9 -14.986 -4.910 -2.179 1.00 0.00 C ATOM 724 O VAL B 9 -13.888 -4.637 -1.739 1.00 0.00 O ATOM 725 CB VAL B 9 -16.719 -3.188 -2.737 1.00 0.00 C ATOM 726 CG1 VAL B 9 -16.233 -2.339 -1.572 1.00 0.00 C ATOM 727 CG2 VAL B 9 -17.288 -2.302 -3.836 1.00 0.00 C ATOM 0 H VAL B 9 -17.036 -4.835 -4.581 1.00 0.00 H new ATOM 0 HA VAL B 9 -14.817 -3.416 -3.709 1.00 0.00 H new ATOM 0 HB VAL B 9 -17.508 -3.845 -2.370 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -17.055 -1.726 -1.201 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -15.875 -2.988 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -15.421 -1.693 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -18.088 -1.684 -3.428 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -16.500 -1.661 -4.231 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -17.684 -2.926 -4.637 1.00 0.00 H new ATOM 737 N ARG B 10 -15.714 -5.951 -1.772 1.00 0.00 N ATOM 738 CA ARG B 10 -15.277 -6.873 -0.738 1.00 0.00 C ATOM 739 C ARG B 10 -13.860 -7.339 -1.017 1.00 0.00 C ATOM 740 O ARG B 10 -12.976 -7.163 -0.195 1.00 0.00 O ATOM 741 CB ARG B 10 -16.224 -8.079 -0.696 1.00 0.00 C ATOM 742 CG ARG B 10 -15.944 -9.063 0.429 1.00 0.00 C ATOM 743 CD ARG B 10 -16.236 -8.455 1.790 1.00 0.00 C ATOM 744 NE ARG B 10 -16.220 -9.458 2.854 1.00 0.00 N ATOM 745 CZ ARG B 10 -17.044 -9.433 3.901 1.00 0.00 C ATOM 746 NH1 ARG B 10 -17.970 -8.489 3.996 1.00 0.00 N ATOM 747 NH2 ARG B 10 -16.956 -10.368 4.841 1.00 0.00 N ATOM 0 H ARG B 10 -16.631 -6.175 -2.158 1.00 0.00 H new ATOM 0 HA ARG B 10 -15.294 -6.364 0.226 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -17.248 -7.718 -0.599 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -16.161 -8.607 -1.647 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -16.553 -9.957 0.291 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -14.901 -9.378 0.387 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -15.498 -7.684 2.008 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -17.210 -7.966 1.767 1.00 0.00 H new ATOM 0 HE ARG B 10 -15.542 -10.217 2.791 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -18.053 -7.780 3.267 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -18.600 -8.471 4.798 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -16.257 -11.106 4.762 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -17.588 -10.347 5.642 1.00 0.00 H new ATOM 761 N ARG B 11 -13.662 -7.888 -2.210 1.00 0.00 N ATOM 762 CA ARG B 11 -12.387 -8.417 -2.633 1.00 0.00 C ATOM 763 C ARG B 11 -11.320 -7.336 -2.583 1.00 0.00 C ATOM 764 O ARG B 11 -10.251 -7.551 -2.041 1.00 0.00 O ATOM 765 CB ARG B 11 -12.514 -8.957 -4.059 1.00 0.00 C ATOM 766 CG ARG B 11 -11.310 -9.746 -4.541 1.00 0.00 C ATOM 767 CD ARG B 11 -11.245 -11.122 -3.895 1.00 0.00 C ATOM 768 NE ARG B 11 -10.142 -11.913 -4.428 1.00 0.00 N ATOM 769 CZ ARG B 11 -10.226 -13.213 -4.714 1.00 0.00 C ATOM 770 NH1 ARG B 11 -11.360 -13.877 -4.523 1.00 0.00 N ATOM 771 NH2 ARG B 11 -9.173 -13.846 -5.203 1.00 0.00 N ATOM 0 H ARG B 11 -14.396 -7.975 -2.913 1.00 0.00 H new ATOM 0 HA ARG B 11 -12.094 -9.222 -1.960 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -13.397 -9.594 -4.116 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -12.680 -8.120 -4.738 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -11.356 -9.854 -5.625 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -10.398 -9.194 -4.314 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -11.128 -11.013 -2.817 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -12.185 -11.648 -4.062 1.00 0.00 H new ATOM 0 HE ARG B 11 -9.252 -11.443 -4.592 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -12.178 -13.393 -4.154 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -11.413 -14.871 -4.745 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -8.301 -13.340 -5.360 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -9.232 -14.840 -5.423 1.00 0.00 H new ATOM 785 N LYS B 12 -11.652 -6.164 -3.110 1.00 0.00 N ATOM 786 CA LYS B 12 -10.702 -5.083 -3.272 1.00 0.00 C ATOM 787 C LYS B 12 -10.257 -4.535 -1.925 1.00 0.00 C ATOM 788 O LYS B 12 -9.080 -4.582 -1.611 1.00 0.00 O ATOM 789 CB LYS B 12 -11.312 -3.968 -4.130 1.00 0.00 C ATOM 790 CG LYS B 12 -10.346 -2.834 -4.446 1.00 0.00 C ATOM 791 CD LYS B 12 -9.110 -3.336 -5.176 1.00 0.00 C ATOM 792 CE LYS B 12 -8.167 -2.196 -5.530 1.00 0.00 C ATOM 793 NZ LYS B 12 -8.749 -1.279 -6.543 1.00 0.00 N ATOM 0 H LYS B 12 -12.592 -5.941 -3.437 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.821 -5.478 -3.779 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -11.671 -4.398 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -12.180 -3.559 -3.613 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -10.851 -2.085 -5.057 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -10.047 -2.342 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -8.587 -4.061 -4.552 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -9.410 -3.856 -6.085 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -7.927 -1.633 -4.628 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -7.231 -2.606 -5.909 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -8.012 -0.632 -6.890 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -9.125 -1.834 -7.338 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -9.518 -0.728 -6.111 1.00 0.00 H new ATOM 807 N ILE B 13 -11.204 -4.059 -1.119 1.00 0.00 N ATOM 808 CA ILE B 13 -10.882 -3.373 0.116 1.00 0.00 C ATOM 809 C ILE B 13 -10.134 -4.285 1.065 1.00 0.00 C ATOM 810 O ILE B 13 -9.233 -3.837 1.747 1.00 0.00 O ATOM 811 CB ILE B 13 -12.136 -2.805 0.819 1.00 0.00 C ATOM 812 CG1 ILE B 13 -13.133 -3.920 1.162 1.00 0.00 C ATOM 813 CG2 ILE B 13 -12.794 -1.746 -0.055 1.00 0.00 C ATOM 814 CD1 ILE B 13 -14.350 -3.443 1.923 1.00 0.00 C ATOM 0 H ILE B 13 -12.203 -4.140 -1.307 1.00 0.00 H new ATOM 0 HA ILE B 13 -10.243 -2.533 -0.156 1.00 0.00 H new ATOM 0 HB ILE B 13 -11.822 -2.342 1.754 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -13.459 -4.399 0.239 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -12.623 -4.681 1.753 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -13.676 -1.353 0.451 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -12.089 -0.935 -0.237 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -13.089 -2.191 -1.006 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -15.006 -4.289 2.128 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -14.037 -2.991 2.864 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -14.886 -2.705 1.326 1.00 0.00 H new ATOM 826 N ARG B 14 -10.483 -5.566 1.063 1.00 0.00 N ATOM 827 CA ARG B 14 -9.852 -6.536 1.930 1.00 0.00 C ATOM 828 C ARG B 14 -8.376 -6.624 1.583 1.00 0.00 C ATOM 829 O ARG B 14 -7.533 -6.551 2.461 1.00 0.00 O ATOM 830 CB ARG B 14 -10.542 -7.902 1.785 1.00 0.00 C ATOM 831 CG ARG B 14 -10.197 -8.903 2.881 1.00 0.00 C ATOM 832 CD ARG B 14 -8.851 -9.567 2.650 1.00 0.00 C ATOM 833 NE ARG B 14 -8.482 -10.445 3.755 1.00 0.00 N ATOM 834 CZ ARG B 14 -7.518 -11.356 3.692 1.00 0.00 C ATOM 835 NH1 ARG B 14 -6.832 -11.525 2.569 1.00 0.00 N ATOM 836 NH2 ARG B 14 -7.237 -12.096 4.753 1.00 0.00 N ATOM 0 H ARG B 14 -11.209 -5.954 0.461 1.00 0.00 H new ATOM 0 HA ARG B 14 -9.950 -6.225 2.970 1.00 0.00 H new ATOM 0 HB2 ARG B 14 -11.621 -7.751 1.775 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -10.272 -8.331 0.820 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -10.188 -8.395 3.845 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -10.973 -9.667 2.930 1.00 0.00 H new ATOM 0 HD2 ARG B 14 -8.884 -10.142 1.725 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -8.085 -8.802 2.523 1.00 0.00 H new ATOM 0 HE ARG B 14 -8.997 -10.353 4.631 1.00 0.00 H new ATOM 0 HH11 ARG B 14 -7.044 -10.954 1.751 1.00 0.00 H new ATOM 0 HH12 ARG B 14 -6.092 -12.226 2.524 1.00 0.00 H new ATOM 0 HH21 ARG B 14 -7.761 -11.966 5.618 1.00 0.00 H new ATOM 0 HH22 ARG B 14 -6.497 -12.796 4.705 1.00 0.00 H new ATOM 850 N SER B 15 -8.084 -6.727 0.292 1.00 0.00 N ATOM 851 CA SER B 15 -6.725 -6.842 -0.184 1.00 0.00 C ATOM 852 C SER B 15 -5.934 -5.602 0.189 1.00 0.00 C ATOM 853 O SER B 15 -4.814 -5.708 0.651 1.00 0.00 O ATOM 854 CB SER B 15 -6.721 -7.043 -1.698 1.00 0.00 C ATOM 855 OG SER B 15 -7.522 -8.155 -2.058 1.00 0.00 O ATOM 0 H SER B 15 -8.787 -6.732 -0.447 1.00 0.00 H new ATOM 0 HA SER B 15 -6.254 -7.706 0.286 1.00 0.00 H new ATOM 0 HB2 SER B 15 -7.095 -6.145 -2.190 1.00 0.00 H new ATOM 0 HB3 SER B 15 -5.700 -7.196 -2.047 1.00 0.00 H new ATOM 0 HG SER B 15 -8.466 -7.893 -2.052 1.00 0.00 H new ATOM 861 N LEU B 16 -6.553 -4.436 0.020 1.00 0.00 N ATOM 862 CA LEU B 16 -5.921 -3.168 0.329 1.00 0.00 C ATOM 863 C LEU B 16 -5.471 -3.139 1.776 1.00 0.00 C ATOM 864 O LEU B 16 -4.336 -2.804 2.055 1.00 0.00 O ATOM 865 CB LEU B 16 -6.880 -2.004 0.050 1.00 0.00 C ATOM 866 CG LEU B 16 -7.312 -1.847 -1.412 1.00 0.00 C ATOM 867 CD1 LEU B 16 -8.323 -0.719 -1.553 1.00 0.00 C ATOM 868 CD2 LEU B 16 -6.103 -1.593 -2.303 1.00 0.00 C ATOM 0 H LEU B 16 -7.505 -4.350 -0.335 1.00 0.00 H new ATOM 0 HA LEU B 16 -5.046 -3.058 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -7.772 -2.135 0.663 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -6.404 -1.078 0.373 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.786 -2.776 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -8.618 -0.623 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -9.202 -0.940 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -7.875 0.215 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.430 -1.484 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -5.601 -0.680 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -5.412 -2.433 -2.227 1.00 0.00 H new ATOM 880 N GLN B 17 -6.363 -3.527 2.678 1.00 0.00 N ATOM 881 CA GLN B 17 -6.078 -3.531 4.099 1.00 0.00 C ATOM 882 C GLN B 17 -4.943 -4.483 4.408 1.00 0.00 C ATOM 883 O GLN B 17 -4.010 -4.112 5.099 1.00 0.00 O ATOM 884 CB GLN B 17 -7.324 -3.918 4.891 1.00 0.00 C ATOM 885 CG GLN B 17 -8.444 -2.897 4.795 1.00 0.00 C ATOM 886 CD GLN B 17 -9.703 -3.349 5.503 1.00 0.00 C ATOM 887 OE1 GLN B 17 -9.649 -4.104 6.474 1.00 0.00 O ATOM 888 NE2 GLN B 17 -10.849 -2.889 5.026 1.00 0.00 N ATOM 0 H GLN B 17 -7.302 -3.847 2.441 1.00 0.00 H new ATOM 0 HA GLN B 17 -5.777 -2.525 4.393 1.00 0.00 H new ATOM 0 HB2 GLN B 17 -7.689 -4.880 4.532 1.00 0.00 H new ATOM 0 HB3 GLN B 17 -7.053 -4.050 5.938 1.00 0.00 H new ATOM 0 HG2 GLN B 17 -8.108 -1.953 5.225 1.00 0.00 H new ATOM 0 HG3 GLN B 17 -8.669 -2.707 3.746 1.00 0.00 H new ATOM 0 HE21 GLN B 17 -10.852 -2.265 4.219 1.00 0.00 H new ATOM 0 HE22 GLN B 17 -11.729 -3.159 5.465 1.00 0.00 H new ATOM 897 N GLU B 18 -5.024 -5.694 3.858 1.00 0.00 N ATOM 898 CA GLU B 18 -4.018 -6.721 4.063 1.00 0.00 C ATOM 899 C GLU B 18 -2.649 -6.189 3.670 1.00 0.00 C ATOM 900 O GLU B 18 -1.724 -6.202 4.469 1.00 0.00 O ATOM 901 CB GLU B 18 -4.367 -7.959 3.226 1.00 0.00 C ATOM 902 CG GLU B 18 -4.144 -9.287 3.940 1.00 0.00 C ATOM 903 CD GLU B 18 -2.691 -9.552 4.278 1.00 0.00 C ATOM 904 OE1 GLU B 18 -1.933 -9.977 3.379 1.00 0.00 O ATOM 905 OE2 GLU B 18 -2.302 -9.349 5.441 1.00 0.00 O ATOM 0 H GLU B 18 -5.794 -5.986 3.256 1.00 0.00 H new ATOM 0 HA GLU B 18 -3.996 -7.000 5.116 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -5.412 -7.895 2.923 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -3.770 -7.946 2.314 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -4.731 -9.300 4.858 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -4.517 -10.096 3.312 1.00 0.00 H new ATOM 912 N GLN B 19 -2.554 -5.671 2.447 1.00 0.00 N ATOM 913 CA GLN B 19 -1.313 -5.160 1.914 1.00 0.00 C ATOM 914 C GLN B 19 -0.798 -4.022 2.771 1.00 0.00 C ATOM 915 O GLN B 19 0.360 -4.022 3.133 1.00 0.00 O ATOM 916 CB GLN B 19 -1.499 -4.697 0.466 1.00 0.00 C ATOM 917 CG GLN B 19 -0.227 -4.159 -0.171 1.00 0.00 C ATOM 918 CD GLN B 19 0.892 -5.184 -0.210 1.00 0.00 C ATOM 919 OE1 GLN B 19 1.677 -5.300 0.732 1.00 0.00 O ATOM 920 NE2 GLN B 19 0.986 -5.923 -1.301 1.00 0.00 N ATOM 0 H GLN B 19 -3.342 -5.598 1.804 1.00 0.00 H new ATOM 0 HA GLN B 19 -0.577 -5.964 1.926 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -1.868 -5.533 -0.129 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -2.265 -3.922 0.437 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -0.446 -3.829 -1.186 1.00 0.00 H new ATOM 0 HG3 GLN B 19 0.109 -3.283 0.383 1.00 0.00 H new ATOM 0 HE21 GLN B 19 0.317 -5.798 -2.061 1.00 0.00 H new ATOM 0 HE22 GLN B 19 1.728 -6.618 -1.384 1.00 0.00 H new ATOM 929 N ASN B 20 -1.675 -3.085 3.125 1.00 0.00 N ATOM 930 CA ASN B 20 -1.292 -1.931 3.917 1.00 0.00 C ATOM 931 C ASN B 20 -0.656 -2.361 5.221 1.00 0.00 C ATOM 932 O ASN B 20 0.404 -1.878 5.563 1.00 0.00 O ATOM 933 CB ASN B 20 -2.493 -1.021 4.196 1.00 0.00 C ATOM 934 CG ASN B 20 -2.665 0.061 3.146 1.00 0.00 C ATOM 935 OD1 ASN B 20 -2.090 1.145 3.258 1.00 0.00 O ATOM 936 ND2 ASN B 20 -3.458 -0.216 2.121 1.00 0.00 N ATOM 0 H ASN B 20 -2.662 -3.108 2.871 1.00 0.00 H new ATOM 0 HA ASN B 20 -0.562 -1.366 3.337 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -3.399 -1.625 4.241 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -2.372 -0.556 5.174 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -3.609 0.480 1.391 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -3.917 -1.125 2.062 1.00 0.00 H new ATOM 943 N TYR B 21 -1.289 -3.305 5.914 1.00 0.00 N ATOM 944 CA TYR B 21 -0.790 -3.788 7.184 1.00 0.00 C ATOM 945 C TYR B 21 0.582 -4.403 6.990 1.00 0.00 C ATOM 946 O TYR B 21 1.475 -4.176 7.785 1.00 0.00 O ATOM 947 CB TYR B 21 -1.764 -4.809 7.779 1.00 0.00 C ATOM 948 CG TYR B 21 -1.426 -5.230 9.190 1.00 0.00 C ATOM 949 CD1 TYR B 21 -1.724 -4.408 10.271 1.00 0.00 C ATOM 950 CD2 TYR B 21 -0.816 -6.451 9.445 1.00 0.00 C ATOM 951 CE1 TYR B 21 -1.421 -4.790 11.563 1.00 0.00 C ATOM 952 CE2 TYR B 21 -0.511 -6.840 10.736 1.00 0.00 C ATOM 953 CZ TYR B 21 -0.816 -6.007 11.789 1.00 0.00 C ATOM 954 OH TYR B 21 -0.515 -6.393 13.076 1.00 0.00 O ATOM 0 H TYR B 21 -2.155 -3.749 5.608 1.00 0.00 H new ATOM 0 HA TYR B 21 -0.704 -2.954 7.880 1.00 0.00 H new ATOM 0 HB2 TYR B 21 -2.769 -4.387 7.767 1.00 0.00 H new ATOM 0 HB3 TYR B 21 -1.782 -5.693 7.141 1.00 0.00 H new ATOM 0 HD1 TYR B 21 -2.201 -3.455 10.097 1.00 0.00 H new ATOM 0 HD2 TYR B 21 -0.576 -7.107 8.622 1.00 0.00 H new ATOM 0 HE1 TYR B 21 -1.657 -4.139 12.391 1.00 0.00 H new ATOM 0 HE2 TYR B 21 -0.036 -7.793 10.918 1.00 0.00 H new ATOM 0 HH TYR B 21 -0.093 -7.277 13.062 1.00 0.00 H new ATOM 964 N HIS B 22 0.744 -5.151 5.903 1.00 0.00 N ATOM 965 CA HIS B 22 2.019 -5.742 5.552 1.00 0.00 C ATOM 966 C HIS B 22 3.044 -4.650 5.302 1.00 0.00 C ATOM 967 O HIS B 22 4.112 -4.675 5.884 1.00 0.00 O ATOM 968 CB HIS B 22 1.864 -6.642 4.313 1.00 0.00 C ATOM 969 CG HIS B 22 3.153 -6.967 3.614 1.00 0.00 C ATOM 970 ND1 HIS B 22 3.385 -6.648 2.297 1.00 0.00 N ATOM 971 CD2 HIS B 22 4.282 -7.567 4.058 1.00 0.00 C ATOM 972 CE1 HIS B 22 4.598 -7.035 1.959 1.00 0.00 C ATOM 973 NE2 HIS B 22 5.170 -7.595 3.009 1.00 0.00 N ATOM 0 H HIS B 22 -0.007 -5.361 5.245 1.00 0.00 H new ATOM 0 HA HIS B 22 2.367 -6.360 6.380 1.00 0.00 H new ATOM 0 HB2 HIS B 22 1.384 -7.573 4.614 1.00 0.00 H new ATOM 0 HB3 HIS B 22 1.195 -6.152 3.605 1.00 0.00 H new ATOM 0 HD1 HIS B 22 2.721 -6.184 1.678 1.00 0.00 H new ATOM 0 HD2 HIS B 22 4.453 -7.952 5.052 1.00 0.00 H new ATOM 0 HE1 HIS B 22 5.049 -6.914 0.985 1.00 0.00 H new ATOM 0 HE2 HIS B 22 6.113 -7.983 3.037 1.00 0.00 H new ATOM 982 N LEU B 23 2.684 -3.689 4.457 1.00 0.00 N ATOM 983 CA LEU B 23 3.570 -2.612 4.068 1.00 0.00 C ATOM 984 C LEU B 23 4.144 -1.912 5.280 1.00 0.00 C ATOM 985 O LEU B 23 5.349 -1.814 5.399 1.00 0.00 O ATOM 986 CB LEU B 23 2.835 -1.603 3.186 1.00 0.00 C ATOM 987 CG LEU B 23 2.448 -2.103 1.794 1.00 0.00 C ATOM 988 CD1 LEU B 23 1.660 -1.036 1.050 1.00 0.00 C ATOM 989 CD2 LEU B 23 3.687 -2.495 1.005 1.00 0.00 C ATOM 0 H LEU B 23 1.762 -3.641 4.023 1.00 0.00 H new ATOM 0 HA LEU B 23 4.392 -3.049 3.500 1.00 0.00 H new ATOM 0 HB2 LEU B 23 1.930 -1.286 3.704 1.00 0.00 H new ATOM 0 HB3 LEU B 23 3.464 -0.720 3.074 1.00 0.00 H new ATOM 0 HG LEU B 23 1.818 -2.986 1.906 1.00 0.00 H new ATOM 0 HD11 LEU B 23 1.391 -1.406 0.061 1.00 0.00 H new ATOM 0 HD12 LEU B 23 0.754 -0.798 1.607 1.00 0.00 H new ATOM 0 HD13 LEU B 23 2.270 -0.138 0.948 1.00 0.00 H new ATOM 0 HD21 LEU B 23 3.392 -2.848 0.017 1.00 0.00 H new ATOM 0 HD22 LEU B 23 4.341 -1.629 0.901 1.00 0.00 H new ATOM 0 HD23 LEU B 23 4.217 -3.289 1.531 1.00 0.00 H new ATOM 1001 N GLU B 24 3.269 -1.477 6.187 1.00 0.00 N ATOM 1002 CA GLU B 24 3.667 -0.709 7.353 1.00 0.00 C ATOM 1003 C GLU B 24 4.791 -1.393 8.103 1.00 0.00 C ATOM 1004 O GLU B 24 5.822 -0.792 8.332 1.00 0.00 O ATOM 1005 CB GLU B 24 2.482 -0.494 8.294 1.00 0.00 C ATOM 1006 CG GLU B 24 1.325 0.253 7.658 1.00 0.00 C ATOM 1007 CD GLU B 24 0.251 0.620 8.658 1.00 0.00 C ATOM 1008 OE1 GLU B 24 -0.497 -0.279 9.095 1.00 0.00 O ATOM 1009 OE2 GLU B 24 0.154 1.815 9.015 1.00 0.00 O ATOM 0 H GLU B 24 2.266 -1.650 6.128 1.00 0.00 H new ATOM 0 HA GLU B 24 4.021 0.259 6.998 1.00 0.00 H new ATOM 0 HB2 GLU B 24 2.128 -1.463 8.645 1.00 0.00 H new ATOM 0 HB3 GLU B 24 2.821 0.058 9.171 1.00 0.00 H new ATOM 0 HG2 GLU B 24 1.700 1.160 7.183 1.00 0.00 H new ATOM 0 HG3 GLU B 24 0.889 -0.362 6.871 1.00 0.00 H new ATOM 1016 N ASN B 25 4.598 -2.662 8.432 1.00 0.00 N ATOM 1017 CA ASN B 25 5.537 -3.380 9.259 1.00 0.00 C ATOM 1018 C ASN B 25 6.811 -3.668 8.497 1.00 0.00 C ATOM 1019 O ASN B 25 7.876 -3.647 9.076 1.00 0.00 O ATOM 1020 CB ASN B 25 4.928 -4.682 9.784 1.00 0.00 C ATOM 1021 CG ASN B 25 3.858 -4.444 10.830 1.00 0.00 C ATOM 1022 OD1 ASN B 25 4.152 -4.323 12.020 1.00 0.00 O ATOM 1023 ND2 ASN B 25 2.604 -4.383 10.403 1.00 0.00 N ATOM 0 H ASN B 25 3.793 -3.212 8.133 1.00 0.00 H new ATOM 0 HA ASN B 25 5.777 -2.747 10.113 1.00 0.00 H new ATOM 0 HB2 ASN B 25 4.499 -5.240 8.952 1.00 0.00 H new ATOM 0 HB3 ASN B 25 5.717 -5.302 10.211 1.00 0.00 H new ATOM 0 HD21 ASN B 25 1.846 -4.231 11.068 1.00 0.00 H new ATOM 0 HD22 ASN B 25 2.398 -4.488 9.410 1.00 0.00 H new ATOM 1030 N GLU B 26 6.702 -3.895 7.195 1.00 0.00 N ATOM 1031 CA GLU B 26 7.859 -4.235 6.399 1.00 0.00 C ATOM 1032 C GLU B 26 8.721 -3.007 6.187 1.00 0.00 C ATOM 1033 O GLU B 26 9.903 -3.042 6.471 1.00 0.00 O ATOM 1034 CB GLU B 26 7.450 -4.856 5.063 1.00 0.00 C ATOM 1035 CG GLU B 26 8.632 -5.370 4.257 1.00 0.00 C ATOM 1036 CD GLU B 26 8.223 -6.298 3.135 1.00 0.00 C ATOM 1037 OE1 GLU B 26 7.851 -7.457 3.425 1.00 0.00 O ATOM 1038 OE2 GLU B 26 8.265 -5.884 1.962 1.00 0.00 O ATOM 0 H GLU B 26 5.826 -3.849 6.675 1.00 0.00 H new ATOM 0 HA GLU B 26 8.442 -4.981 6.939 1.00 0.00 H new ATOM 0 HB2 GLU B 26 6.759 -5.678 5.248 1.00 0.00 H new ATOM 0 HB3 GLU B 26 6.912 -4.114 4.474 1.00 0.00 H new ATOM 0 HG2 GLU B 26 9.176 -4.523 3.840 1.00 0.00 H new ATOM 0 HG3 GLU B 26 9.318 -5.894 4.922 1.00 0.00 H new ATOM 1045 N VAL B 27 8.115 -1.908 5.744 1.00 0.00 N ATOM 1046 CA VAL B 27 8.847 -0.688 5.498 1.00 0.00 C ATOM 1047 C VAL B 27 9.406 -0.158 6.803 1.00 0.00 C ATOM 1048 O VAL B 27 10.418 0.512 6.808 1.00 0.00 O ATOM 1049 CB VAL B 27 7.969 0.391 4.813 1.00 0.00 C ATOM 1050 CG1 VAL B 27 6.876 0.899 5.740 1.00 0.00 C ATOM 1051 CG2 VAL B 27 8.824 1.542 4.307 1.00 0.00 C ATOM 0 H VAL B 27 7.115 -1.847 5.550 1.00 0.00 H new ATOM 0 HA VAL B 27 9.663 -0.921 4.814 1.00 0.00 H new ATOM 0 HB VAL B 27 7.482 -0.079 3.959 1.00 0.00 H new ATOM 0 HG11 VAL B 27 6.283 1.653 5.224 1.00 0.00 H new ATOM 0 HG12 VAL B 27 6.233 0.069 6.033 1.00 0.00 H new ATOM 0 HG13 VAL B 27 7.328 1.339 6.629 1.00 0.00 H new ATOM 0 HG21 VAL B 27 8.187 2.287 3.830 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.352 1.999 5.144 1.00 0.00 H new ATOM 0 HG23 VAL B 27 9.548 1.167 3.583 1.00 0.00 H new ATOM 1061 N ALA B 28 8.753 -0.505 7.912 1.00 0.00 N ATOM 1062 CA ALA B 28 9.200 -0.103 9.222 1.00 0.00 C ATOM 1063 C ALA B 28 10.589 -0.640 9.473 1.00 0.00 C ATOM 1064 O ALA B 28 11.431 0.079 9.957 1.00 0.00 O ATOM 1065 CB ALA B 28 8.243 -0.583 10.304 1.00 0.00 C ATOM 0 H ALA B 28 7.904 -1.070 7.915 1.00 0.00 H new ATOM 0 HA ALA B 28 9.222 0.986 9.258 1.00 0.00 H new ATOM 0 HB1 ALA B 28 8.608 -0.264 11.280 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.254 -0.158 10.130 1.00 0.00 H new ATOM 0 HB3 ALA B 28 8.180 -1.671 10.278 1.00 0.00 H new ATOM 1071 N ARG B 29 10.822 -1.894 9.083 1.00 0.00 N ATOM 1072 CA ARG B 29 12.099 -2.548 9.296 1.00 0.00 C ATOM 1073 C ARG B 29 13.227 -1.712 8.731 1.00 0.00 C ATOM 1074 O ARG B 29 14.226 -1.524 9.392 1.00 0.00 O ATOM 1075 CB ARG B 29 12.109 -3.940 8.661 1.00 0.00 C ATOM 1076 CG ARG B 29 11.193 -4.936 9.357 1.00 0.00 C ATOM 1077 CD ARG B 29 11.674 -5.247 10.768 1.00 0.00 C ATOM 1078 NE ARG B 29 10.783 -6.177 11.458 1.00 0.00 N ATOM 1079 CZ ARG B 29 11.200 -7.179 12.227 1.00 0.00 C ATOM 1080 NH1 ARG B 29 12.501 -7.382 12.421 1.00 0.00 N ATOM 1081 NH2 ARG B 29 10.310 -7.962 12.822 1.00 0.00 N ATOM 0 H ARG B 29 10.129 -2.477 8.613 1.00 0.00 H new ATOM 0 HA ARG B 29 12.247 -2.655 10.371 1.00 0.00 H new ATOM 0 HB2 ARG B 29 11.812 -3.855 7.616 1.00 0.00 H new ATOM 0 HB3 ARG B 29 13.128 -4.327 8.672 1.00 0.00 H new ATOM 0 HG2 ARG B 29 10.181 -4.534 9.397 1.00 0.00 H new ATOM 0 HG3 ARG B 29 11.147 -5.857 8.776 1.00 0.00 H new ATOM 0 HD2 ARG B 29 12.677 -5.671 10.724 1.00 0.00 H new ATOM 0 HD3 ARG B 29 11.745 -4.321 11.339 1.00 0.00 H new ATOM 0 HE ARG B 29 9.778 -6.050 11.343 1.00 0.00 H new ATOM 0 HH11 ARG B 29 13.185 -6.767 11.979 1.00 0.00 H new ATOM 0 HH12 ARG B 29 12.814 -8.152 13.012 1.00 0.00 H new ATOM 0 HH21 ARG B 29 9.313 -7.794 12.688 1.00 0.00 H new ATOM 0 HH22 ARG B 29 10.623 -8.732 13.413 1.00 0.00 H new ATOM 1095 N LEU B 30 13.030 -1.177 7.529 1.00 0.00 N ATOM 1096 CA LEU B 30 14.047 -0.387 6.856 1.00 0.00 C ATOM 1097 C LEU B 30 14.432 0.815 7.701 1.00 0.00 C ATOM 1098 O LEU B 30 15.567 0.921 8.139 1.00 0.00 O ATOM 1099 CB LEU B 30 13.564 0.080 5.475 1.00 0.00 C ATOM 1100 CG LEU B 30 13.526 -0.990 4.375 1.00 0.00 C ATOM 1101 CD1 LEU B 30 12.426 -2.010 4.629 1.00 0.00 C ATOM 1102 CD2 LEU B 30 13.339 -0.339 3.011 1.00 0.00 C ATOM 0 H LEU B 30 12.164 -1.280 7.000 1.00 0.00 H new ATOM 0 HA LEU B 30 14.922 -1.022 6.718 1.00 0.00 H new ATOM 0 HB2 LEU B 30 12.562 0.495 5.584 1.00 0.00 H new ATOM 0 HB3 LEU B 30 14.211 0.892 5.142 1.00 0.00 H new ATOM 0 HG LEU B 30 14.480 -1.518 4.389 1.00 0.00 H new ATOM 0 HD11 LEU B 30 12.427 -2.753 3.831 1.00 0.00 H new ATOM 0 HD12 LEU B 30 12.601 -2.504 5.585 1.00 0.00 H new ATOM 0 HD13 LEU B 30 11.460 -1.505 4.653 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.314 -1.110 2.240 1.00 0.00 H new ATOM 0 HD22 LEU B 30 12.402 0.217 2.999 1.00 0.00 H new ATOM 0 HD23 LEU B 30 14.167 0.342 2.816 1.00 0.00 H new ATOM 1114 N LYS B 31 13.466 1.689 7.967 1.00 0.00 N ATOM 1115 CA LYS B 31 13.732 2.927 8.657 1.00 0.00 C ATOM 1116 C LYS B 31 14.087 2.665 10.104 1.00 0.00 C ATOM 1117 O LYS B 31 14.781 3.451 10.708 1.00 0.00 O ATOM 1118 CB LYS B 31 12.539 3.886 8.545 1.00 0.00 C ATOM 1119 CG LYS B 31 11.204 3.279 8.951 1.00 0.00 C ATOM 1120 CD LYS B 31 10.058 4.245 8.685 1.00 0.00 C ATOM 1121 CE LYS B 31 8.706 3.610 8.965 1.00 0.00 C ATOM 1122 NZ LYS B 31 7.583 4.517 8.603 1.00 0.00 N ATOM 0 H LYS B 31 12.489 1.553 7.709 1.00 0.00 H new ATOM 0 HA LYS B 31 14.587 3.406 8.180 1.00 0.00 H new ATOM 0 HB2 LYS B 31 12.731 4.760 9.168 1.00 0.00 H new ATOM 0 HB3 LYS B 31 12.466 4.238 7.516 1.00 0.00 H new ATOM 0 HG2 LYS B 31 11.039 2.354 8.399 1.00 0.00 H new ATOM 0 HG3 LYS B 31 11.226 3.019 10.009 1.00 0.00 H new ATOM 0 HD2 LYS B 31 10.179 5.132 9.307 1.00 0.00 H new ATOM 0 HD3 LYS B 31 10.096 4.576 7.647 1.00 0.00 H new ATOM 0 HE2 LYS B 31 8.618 2.680 8.403 1.00 0.00 H new ATOM 0 HE3 LYS B 31 8.638 3.351 10.022 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 6.678 4.048 8.809 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 7.652 5.394 9.158 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 7.633 4.744 7.589 1.00 0.00 H new ATOM 1136 N LYS B 32 13.631 1.547 10.643 1.00 0.00 N ATOM 1137 CA LYS B 32 13.956 1.166 12.011 1.00 0.00 C ATOM 1138 C LYS B 32 15.412 0.718 12.109 1.00 0.00 C ATOM 1139 O LYS B 32 16.137 1.119 13.023 1.00 0.00 O ATOM 1140 CB LYS B 32 13.016 0.048 12.464 1.00 0.00 C ATOM 1141 CG LYS B 32 13.180 -0.383 13.910 1.00 0.00 C ATOM 1142 CD LYS B 32 12.048 -1.312 14.316 1.00 0.00 C ATOM 1143 CE LYS B 32 12.185 -1.784 15.752 1.00 0.00 C ATOM 1144 NZ LYS B 32 10.933 -2.424 16.234 1.00 0.00 N ATOM 0 H LYS B 32 13.032 0.883 10.153 1.00 0.00 H new ATOM 0 HA LYS B 32 13.825 2.028 12.665 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.987 0.375 12.313 1.00 0.00 H new ATOM 0 HB3 LYS B 32 13.172 -0.819 11.822 1.00 0.00 H new ATOM 0 HG2 LYS B 32 14.138 -0.887 14.040 1.00 0.00 H new ATOM 0 HG3 LYS B 32 13.191 0.493 14.559 1.00 0.00 H new ATOM 0 HD2 LYS B 32 11.095 -0.797 14.193 1.00 0.00 H new ATOM 0 HD3 LYS B 32 12.032 -2.175 13.651 1.00 0.00 H new ATOM 0 HE2 LYS B 32 13.010 -2.493 15.827 1.00 0.00 H new ATOM 0 HE3 LYS B 32 12.433 -0.938 16.393 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 11.059 -2.736 17.218 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 10.152 -1.739 16.185 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 10.711 -3.246 15.637 1.00 0.00 H new ATOM 1158 N LEU B 33 15.838 -0.096 11.149 1.00 0.00 N ATOM 1159 CA LEU B 33 17.197 -0.622 11.128 1.00 0.00 C ATOM 1160 C LEU B 33 18.209 0.481 10.824 1.00 0.00 C ATOM 1161 O LEU B 33 19.322 0.471 11.349 1.00 0.00 O ATOM 1162 CB LEU B 33 17.311 -1.743 10.091 1.00 0.00 C ATOM 1163 CG LEU B 33 18.672 -2.440 10.021 1.00 0.00 C ATOM 1164 CD1 LEU B 33 18.984 -3.141 11.334 1.00 0.00 C ATOM 1165 CD2 LEU B 33 18.700 -3.429 8.864 1.00 0.00 C ATOM 0 H LEU B 33 15.257 -0.407 10.371 1.00 0.00 H new ATOM 0 HA LEU B 33 17.421 -1.024 12.116 1.00 0.00 H new ATOM 0 HB2 LEU B 33 16.549 -2.492 10.306 1.00 0.00 H new ATOM 0 HB3 LEU B 33 17.083 -1.330 9.108 1.00 0.00 H new ATOM 0 HG LEU B 33 19.439 -1.685 9.849 1.00 0.00 H new ATOM 0 HD11 LEU B 33 19.956 -3.630 11.263 1.00 0.00 H new ATOM 0 HD12 LEU B 33 19.004 -2.409 12.141 1.00 0.00 H new ATOM 0 HD13 LEU B 33 18.216 -3.887 11.540 1.00 0.00 H new ATOM 0 HD21 LEU B 33 19.674 -3.917 8.826 1.00 0.00 H new ATOM 0 HD22 LEU B 33 17.923 -4.180 9.008 1.00 0.00 H new ATOM 0 HD23 LEU B 33 18.523 -2.899 7.928 1.00 0.00 H new ATOM 1177 N VAL B 34 17.820 1.427 9.975 1.00 0.00 N ATOM 1178 CA VAL B 34 18.702 2.535 9.627 1.00 0.00 C ATOM 1179 C VAL B 34 18.641 3.624 10.700 1.00 0.00 C ATOM 1180 O VAL B 34 19.540 4.458 10.805 1.00 0.00 O ATOM 1181 CB VAL B 34 18.359 3.135 8.238 1.00 0.00 C ATOM 1182 CG1 VAL B 34 17.042 3.899 8.268 1.00 0.00 C ATOM 1183 CG2 VAL B 34 19.490 4.026 7.736 1.00 0.00 C ATOM 0 H VAL B 34 16.908 1.449 9.519 1.00 0.00 H new ATOM 0 HA VAL B 34 19.716 2.138 9.575 1.00 0.00 H new ATOM 0 HB VAL B 34 18.243 2.304 7.542 1.00 0.00 H new ATOM 0 HG11 VAL B 34 16.834 4.305 7.278 1.00 0.00 H new ATOM 0 HG12 VAL B 34 16.237 3.225 8.560 1.00 0.00 H new ATOM 0 HG13 VAL B 34 17.111 4.715 8.988 1.00 0.00 H new ATOM 0 HG21 VAL B 34 19.226 4.435 6.761 1.00 0.00 H new ATOM 0 HG22 VAL B 34 19.650 4.842 8.440 1.00 0.00 H new ATOM 0 HG23 VAL B 34 20.404 3.439 7.648 1.00 0.00 H new ATOM 1193 N GLY B 35 17.577 3.608 11.499 1.00 0.00 N ATOM 1194 CA GLY B 35 17.454 4.556 12.587 1.00 0.00 C ATOM 1195 C GLY B 35 18.487 4.306 13.662 1.00 0.00 C ATOM 1196 O GLY B 35 19.227 5.217 14.046 1.00 0.00 O ATOM 0 H GLY B 35 16.799 2.954 11.410 1.00 0.00 H new ATOM 0 HA2 GLY B 35 17.567 5.569 12.202 1.00 0.00 H new ATOM 0 HA3 GLY B 35 16.455 4.488 13.018 1.00 0.00 H new ATOM 1200 N GLU B 36 18.533 3.060 14.134 1.00 0.00 N ATOM 1201 CA GLU B 36 19.522 2.621 15.120 1.00 0.00 C ATOM 1202 C GLU B 36 19.365 3.370 16.444 1.00 0.00 C ATOM 1203 O GLU B 36 18.398 4.106 16.654 1.00 0.00 O ATOM 1204 CB GLU B 36 20.945 2.819 14.583 1.00 0.00 C ATOM 1205 CG GLU B 36 21.226 2.070 13.294 1.00 0.00 C ATOM 1206 CD GLU B 36 22.615 2.339 12.757 1.00 0.00 C ATOM 1207 OE1 GLU B 36 23.579 1.745 13.276 1.00 0.00 O ATOM 1208 OE2 GLU B 36 22.747 3.136 11.808 1.00 0.00 O ATOM 0 H GLU B 36 17.886 2.327 13.844 1.00 0.00 H new ATOM 0 HA GLU B 36 19.349 1.560 15.302 1.00 0.00 H new ATOM 0 HB2 GLU B 36 21.116 3.883 14.418 1.00 0.00 H new ATOM 0 HB3 GLU B 36 21.657 2.496 15.342 1.00 0.00 H new ATOM 0 HG2 GLU B 36 21.108 1.000 13.466 1.00 0.00 H new ATOM 0 HG3 GLU B 36 20.489 2.355 12.544 1.00 0.00 H new ATOM 1215 N ARG B 37 20.317 3.157 17.338 1.00 0.00 N ATOM 1216 CA ARG B 37 20.381 3.894 18.586 1.00 0.00 C ATOM 1217 C ARG B 37 21.832 3.994 19.027 1.00 0.00 C ATOM 1218 O ARG B 37 22.486 4.997 18.681 1.00 0.00 O ATOM 1219 CB ARG B 37 19.538 3.225 19.678 1.00 0.00 C ATOM 1220 CG ARG B 37 19.436 4.061 20.946 1.00 0.00 C ATOM 1221 CD ARG B 37 18.524 3.423 21.979 1.00 0.00 C ATOM 1222 NE ARG B 37 19.091 2.203 22.553 1.00 0.00 N ATOM 1223 CZ ARG B 37 18.990 1.876 23.840 1.00 0.00 C ATOM 1224 NH1 ARG B 37 18.415 2.712 24.699 1.00 0.00 N ATOM 1225 NH2 ARG B 37 19.476 0.720 24.272 1.00 0.00 N ATOM 1226 OXT ARG B 37 22.326 3.047 19.674 1.00 0.00 O ATOM 0 H ARG B 37 21.063 2.472 17.219 1.00 0.00 H new ATOM 0 HA ARG B 37 19.972 4.891 18.425 1.00 0.00 H new ATOM 0 HB2 ARG B 37 18.536 3.037 19.292 1.00 0.00 H new ATOM 0 HB3 ARG B 37 19.973 2.256 19.922 1.00 0.00 H new ATOM 0 HG2 ARG B 37 20.430 4.194 21.373 1.00 0.00 H new ATOM 0 HG3 ARG B 37 19.061 5.054 20.696 1.00 0.00 H new ATOM 0 HD2 ARG B 37 18.329 4.139 22.777 1.00 0.00 H new ATOM 0 HD3 ARG B 37 17.564 3.191 21.517 1.00 0.00 H new ATOM 0 HE ARG B 37 19.592 1.567 21.933 1.00 0.00 H new ATOM 0 HH11 ARG B 37 18.050 3.607 24.373 1.00 0.00 H new ATOM 0 HH12 ARG B 37 18.339 2.459 25.684 1.00 0.00 H new ATOM 0 HH21 ARG B 37 19.928 0.080 23.618 1.00 0.00 H new ATOM 0 HH22 ARG B 37 19.398 0.471 25.258 1.00 0.00 H new TER 1240 ARG B 37