USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 857 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 102 HIS : no HD1:sc= -0.203 X(o=-0.47,f=-0.025) USER MOD Set 1.2: A 104 HIS : no HD1:sc= -0.272 X(o=-0.47,f=-0.025) USER MOD Set 2.1: A 34 TYR OH : rot 30:sc= 1.05 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 178:sc= 1.24 (180deg=0) USER MOD Set 3.1: A 29 ASN : amide:sc= -0.197 K(o=1.1,f=-0.93!) USER MOD Set 3.2: A 33 THR OG1 : rot 87:sc= 1.27 USER MOD Set 4.1: A 21 THR OG1 : rot 133:sc= 0.613 USER MOD Set 4.2: A 23 HIS :FLIP no HD1:sc= 0.538 F(o=-0.77,f=1.2) USER MOD Single : A 1 MET CE :methyl 175:sc= -1.23 (180deg=-1.52) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -93:sc= 0.685 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 130:sc= -1.65! USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.3!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= 0.695 (180deg=0.421) USER MOD Single : A 20 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.031) USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0417) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 73:sc= 1.19 USER MOD Single : A 30 THR OG1 : rot 92:sc= 0.333 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 170:sc= -0.663 USER MOD Single : A 43 SER OG : rot 170:sc= 0.129 USER MOD Single : A 45 GLN : amide:sc= -3.47! C(o=-3.5!,f=-15!) USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00242 USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= -0.0215 (180deg=-0.197) USER MOD Single : A 53 MET CE :methyl -142:sc= -1.45 (180deg=-2.36!) USER MOD Single : A 54 LYS NZ :NH3+ 165:sc=-0.00557 (180deg=-0.132) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.0734 F(o=-0.93,f=-0.073) USER MOD Single : A 66 THR OG1 : rot -160:sc= -0.686 USER MOD Single : A 68 SER OG : rot 23:sc= 0.456 USER MOD Single : A 76 SER OG : rot 80:sc= 1.23 USER MOD Single : A 82 THR OG1 : rot 67:sc= 1.18 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -1.77 K(o=-1.8,f=-3.2) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= 1.24 K(o=1.2,f=-4.8!) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.18) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.489 3.476 5.099 1.00 0.00 N ATOM 2 CA MET A 1 -14.513 3.488 3.988 1.00 0.00 C ATOM 3 C MET A 1 -13.602 2.278 4.072 1.00 0.00 C ATOM 4 O MET A 1 -12.992 2.023 5.111 1.00 0.00 O ATOM 5 CB MET A 1 -13.664 4.760 4.038 1.00 0.00 C ATOM 6 CG MET A 1 -12.609 4.826 2.945 1.00 0.00 C ATOM 7 SD MET A 1 -13.327 5.037 1.307 1.00 0.00 S ATOM 8 CE MET A 1 -14.206 6.582 1.520 1.00 0.00 C ATOM 0 H1 MET A 1 -16.106 4.310 5.028 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.067 2.613 5.044 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.982 3.496 6.007 1.00 0.00 H new ATOM 0 HA MET A 1 -15.067 3.459 3.050 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.318 5.628 3.954 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.174 4.823 5.010 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.929 5.653 3.150 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.014 3.913 2.963 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.631 6.893 0.566 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.007 6.448 2.247 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.516 7.347 1.877 1.00 0.00 H new ATOM 20 N THR A 2 -13.502 1.538 2.982 1.00 0.00 N ATOM 21 CA THR A 2 -12.612 0.393 2.937 1.00 0.00 C ATOM 22 C THR A 2 -11.295 0.787 2.287 1.00 0.00 C ATOM 23 O THR A 2 -11.206 1.840 1.649 1.00 0.00 O ATOM 24 CB THR A 2 -13.237 -0.794 2.177 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.575 -0.408 0.840 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.483 -1.295 2.889 1.00 0.00 C ATOM 0 H THR A 2 -14.023 1.708 2.122 1.00 0.00 H new ATOM 0 HA THR A 2 -12.436 0.072 3.964 1.00 0.00 H new ATOM 0 HB THR A 2 -12.501 -1.597 2.146 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.506 -0.102 0.813 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.907 -2.132 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.221 -1.621 3.895 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.216 -0.491 2.948 1.00 0.00 H new ATOM 34 N PHE A 3 -10.271 -0.039 2.456 1.00 0.00 N ATOM 35 CA PHE A 3 -8.966 0.253 1.879 1.00 0.00 C ATOM 36 C PHE A 3 -9.053 0.277 0.356 1.00 0.00 C ATOM 37 O PHE A 3 -8.406 1.094 -0.295 1.00 0.00 O ATOM 38 CB PHE A 3 -7.934 -0.777 2.339 1.00 0.00 C ATOM 39 CG PHE A 3 -6.537 -0.498 1.846 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.783 0.523 2.402 1.00 0.00 C ATOM 41 CD2 PHE A 3 -5.983 -1.253 0.824 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.503 0.785 1.948 1.00 0.00 C ATOM 43 CE2 PHE A 3 -4.705 -0.995 0.366 1.00 0.00 C ATOM 44 CZ PHE A 3 -3.963 0.024 0.930 1.00 0.00 C ATOM 0 H PHE A 3 -10.318 -0.910 2.984 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.647 1.237 2.224 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.926 -0.808 3.429 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.241 -1.764 1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -6.200 1.121 3.199 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.557 -2.053 0.380 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.926 1.584 2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.287 -1.590 -0.432 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.963 0.225 0.576 1.00 0.00 H new ATOM 54 N SER A 4 -9.878 -0.607 -0.198 1.00 0.00 N ATOM 55 CA SER A 4 -10.079 -0.667 -1.639 1.00 0.00 C ATOM 56 C SER A 4 -10.668 0.646 -2.156 1.00 0.00 C ATOM 57 O SER A 4 -10.190 1.202 -3.144 1.00 0.00 O ATOM 58 CB SER A 4 -11.000 -1.839 -1.996 1.00 0.00 C ATOM 59 OG SER A 4 -11.195 -1.939 -3.397 1.00 0.00 O ATOM 0 H SER A 4 -10.418 -1.292 0.331 1.00 0.00 H new ATOM 0 HA SER A 4 -9.111 -0.821 -2.117 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.571 -2.768 -1.620 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.963 -1.710 -1.502 1.00 0.00 H new ATOM 0 HG SER A 4 -11.785 -2.697 -3.592 1.00 0.00 H new ATOM 65 N GLU A 5 -11.698 1.135 -1.472 1.00 0.00 N ATOM 66 CA GLU A 5 -12.345 2.384 -1.839 1.00 0.00 C ATOM 67 C GLU A 5 -11.380 3.553 -1.712 1.00 0.00 C ATOM 68 O GLU A 5 -11.248 4.371 -2.623 1.00 0.00 O ATOM 69 CB GLU A 5 -13.549 2.614 -0.936 1.00 0.00 C ATOM 70 CG GLU A 5 -14.684 1.639 -1.161 1.00 0.00 C ATOM 71 CD GLU A 5 -15.775 1.794 -0.125 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.625 1.234 0.984 1.00 0.00 O ATOM 73 OE2 GLU A 5 -16.775 2.479 -0.406 1.00 0.00 O ATOM 0 H GLU A 5 -12.103 0.679 -0.655 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.668 2.316 -2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.228 2.548 0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.918 3.628 -1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.103 1.793 -2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.298 0.620 -1.132 1.00 0.00 H new ATOM 80 N CYS A 6 -10.695 3.610 -0.579 1.00 0.00 N ATOM 81 CA CYS A 6 -9.767 4.696 -0.288 1.00 0.00 C ATOM 82 C CYS A 6 -8.640 4.738 -1.312 1.00 0.00 C ATOM 83 O CYS A 6 -8.270 5.806 -1.806 1.00 0.00 O ATOM 84 CB CYS A 6 -9.187 4.517 1.110 1.00 0.00 C ATOM 85 SG CYS A 6 -8.311 5.967 1.740 1.00 0.00 S ATOM 0 H CYS A 6 -10.765 2.911 0.160 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.313 5.638 -0.339 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.995 4.268 1.797 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.503 3.668 1.101 1.00 0.00 H new ATOM 0 HG CYS A 6 -8.745 6.252 2.932 1.00 0.00 H new ATOM 91 N ALA A 7 -8.093 3.568 -1.615 1.00 0.00 N ATOM 92 CA ALA A 7 -7.046 3.447 -2.625 1.00 0.00 C ATOM 93 C ALA A 7 -7.535 3.950 -3.980 1.00 0.00 C ATOM 94 O ALA A 7 -6.817 4.661 -4.685 1.00 0.00 O ATOM 95 CB ALA A 7 -6.571 2.007 -2.731 1.00 0.00 C ATOM 0 H ALA A 7 -8.357 2.686 -1.175 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.205 4.067 -2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.791 1.936 -3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.173 1.683 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.408 1.367 -3.011 1.00 0.00 H new ATOM 101 N ALA A 8 -8.770 3.597 -4.327 1.00 0.00 N ATOM 102 CA ALA A 8 -9.369 4.042 -5.577 1.00 0.00 C ATOM 103 C ALA A 8 -9.519 5.559 -5.601 1.00 0.00 C ATOM 104 O ALA A 8 -9.350 6.193 -6.643 1.00 0.00 O ATOM 105 CB ALA A 8 -10.718 3.371 -5.791 1.00 0.00 C ATOM 0 H ALA A 8 -9.374 3.004 -3.758 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.704 3.754 -6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.151 3.716 -6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.585 2.290 -5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.386 3.626 -4.968 1.00 0.00 H new ATOM 111 N LEU A 9 -9.830 6.135 -4.444 1.00 0.00 N ATOM 112 CA LEU A 9 -9.958 7.583 -4.317 1.00 0.00 C ATOM 113 C LEU A 9 -8.620 8.261 -4.579 1.00 0.00 C ATOM 114 O LEU A 9 -8.554 9.271 -5.273 1.00 0.00 O ATOM 115 CB LEU A 9 -10.462 7.967 -2.922 1.00 0.00 C ATOM 116 CG LEU A 9 -11.818 7.381 -2.528 1.00 0.00 C ATOM 117 CD1 LEU A 9 -12.191 7.817 -1.121 1.00 0.00 C ATOM 118 CD2 LEU A 9 -12.891 7.802 -3.521 1.00 0.00 C ATOM 0 H LEU A 9 -9.998 5.620 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.683 7.920 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.722 7.650 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.525 9.054 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.745 6.294 -2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.159 7.393 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.434 7.467 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.248 8.905 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.849 7.375 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.967 8.889 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.627 7.443 -4.516 1.00 0.00 H new ATOM 130 N TYR A 10 -7.556 7.691 -4.024 1.00 0.00 N ATOM 131 CA TYR A 10 -6.207 8.215 -4.224 1.00 0.00 C ATOM 132 C TYR A 10 -5.880 8.274 -5.711 1.00 0.00 C ATOM 133 O TYR A 10 -5.329 9.262 -6.206 1.00 0.00 O ATOM 134 CB TYR A 10 -5.189 7.332 -3.499 1.00 0.00 C ATOM 135 CG TYR A 10 -3.756 7.810 -3.614 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.272 8.814 -2.787 1.00 0.00 C ATOM 137 CD2 TYR A 10 -2.890 7.257 -4.547 1.00 0.00 C ATOM 138 CE1 TYR A 10 -1.967 9.252 -2.884 1.00 0.00 C ATOM 139 CE2 TYR A 10 -1.582 7.690 -4.652 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.126 8.687 -3.816 1.00 0.00 C ATOM 141 OH TYR A 10 0.173 9.125 -3.915 1.00 0.00 O ATOM 0 H TYR A 10 -7.601 6.863 -3.430 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.158 9.223 -3.813 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.458 7.278 -2.444 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.255 6.319 -3.897 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.928 9.260 -2.055 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.244 6.475 -5.202 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.607 10.034 -2.232 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.921 7.250 -5.384 1.00 0.00 H new ATOM 0 HH TYR A 10 0.634 8.624 -4.620 1.00 0.00 H new ATOM 151 N ILE A 11 -6.242 7.210 -6.409 1.00 0.00 N ATOM 152 CA ILE A 11 -6.040 7.120 -7.849 1.00 0.00 C ATOM 153 C ILE A 11 -6.893 8.152 -8.590 1.00 0.00 C ATOM 154 O ILE A 11 -6.384 8.921 -9.406 1.00 0.00 O ATOM 155 CB ILE A 11 -6.391 5.703 -8.357 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.448 4.677 -7.723 1.00 0.00 C ATOM 157 CG2 ILE A 11 -6.324 5.634 -9.879 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.793 3.243 -8.056 1.00 0.00 C ATOM 0 H ILE A 11 -6.682 6.387 -5.997 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.988 7.326 -8.049 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.414 5.471 -8.062 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.429 4.882 -8.052 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.464 4.803 -6.640 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.575 4.626 -10.209 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.033 6.343 -10.307 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.316 5.883 -10.211 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.081 2.575 -7.571 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.799 3.019 -7.702 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.748 3.099 -9.136 1.00 0.00 H new ATOM 170 N LYS A 12 -8.184 8.194 -8.265 1.00 0.00 N ATOM 171 CA LYS A 12 -9.125 9.080 -8.948 1.00 0.00 C ATOM 172 C LYS A 12 -8.843 10.552 -8.665 1.00 0.00 C ATOM 173 O LYS A 12 -9.055 11.404 -9.526 1.00 0.00 O ATOM 174 CB LYS A 12 -10.572 8.735 -8.587 1.00 0.00 C ATOM 175 CG LYS A 12 -11.055 7.448 -9.231 1.00 0.00 C ATOM 176 CD LYS A 12 -12.551 7.257 -9.049 1.00 0.00 C ATOM 177 CE LYS A 12 -13.046 6.019 -9.780 1.00 0.00 C ATOM 178 NZ LYS A 12 -14.514 5.831 -9.630 1.00 0.00 N ATOM 0 H LYS A 12 -8.603 7.623 -7.531 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.985 8.919 -10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.659 8.647 -7.504 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.222 9.554 -8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.816 7.461 -10.294 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.524 6.601 -8.796 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.782 7.171 -7.987 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.079 8.136 -9.420 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.797 6.100 -10.838 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.527 5.140 -9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.809 4.976 -10.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.750 5.728 -8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.011 6.657 -10.019 1.00 0.00 H new ATOM 192 N ALA A 13 -8.366 10.854 -7.465 1.00 0.00 N ATOM 193 CA ALA A 13 -8.046 12.230 -7.093 1.00 0.00 C ATOM 194 C ALA A 13 -6.902 12.789 -7.941 1.00 0.00 C ATOM 195 O ALA A 13 -6.664 13.996 -7.960 1.00 0.00 O ATOM 196 CB ALA A 13 -7.692 12.316 -5.616 1.00 0.00 C ATOM 0 H ALA A 13 -8.191 10.167 -6.731 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.933 12.835 -7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.457 13.348 -5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.538 11.976 -5.019 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.827 11.685 -5.412 1.00 0.00 H new ATOM 202 N HIS A 14 -6.195 11.908 -8.640 1.00 0.00 N ATOM 203 CA HIS A 14 -5.065 12.319 -9.463 1.00 0.00 C ATOM 204 C HIS A 14 -5.269 11.905 -10.917 1.00 0.00 C ATOM 205 O HIS A 14 -4.421 12.174 -11.757 1.00 0.00 O ATOM 206 CB HIS A 14 -3.762 11.695 -8.943 1.00 0.00 C ATOM 207 CG HIS A 14 -3.365 12.147 -7.571 1.00 0.00 C ATOM 208 ND1 HIS A 14 -3.714 11.468 -6.424 1.00 0.00 N ATOM 209 CD2 HIS A 14 -2.625 13.207 -7.167 1.00 0.00 C ATOM 210 CE1 HIS A 14 -3.207 12.089 -5.377 1.00 0.00 C ATOM 211 NE2 HIS A 14 -2.538 13.146 -5.797 1.00 0.00 N ATOM 0 H HIS A 14 -6.385 10.906 -8.653 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.996 13.405 -9.407 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.869 10.610 -8.938 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.957 11.933 -9.638 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.277 10.618 -6.390 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.185 13.960 -7.804 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.320 11.783 -4.347 1.00 0.00 H new ATOM 220 N ARG A 15 -6.423 11.299 -11.205 1.00 0.00 N ATOM 221 CA ARG A 15 -6.662 10.591 -12.475 1.00 0.00 C ATOM 222 C ARG A 15 -6.498 11.486 -13.714 1.00 0.00 C ATOM 223 O ARG A 15 -6.298 10.987 -14.817 1.00 0.00 O ATOM 224 CB ARG A 15 -8.066 9.989 -12.477 1.00 0.00 C ATOM 225 CG ARG A 15 -9.172 11.029 -12.534 1.00 0.00 C ATOM 226 CD ARG A 15 -10.547 10.404 -12.389 1.00 0.00 C ATOM 227 NE ARG A 15 -10.866 9.488 -13.484 1.00 0.00 N ATOM 228 CZ ARG A 15 -11.977 9.571 -14.213 1.00 0.00 C ATOM 229 NH1 ARG A 15 -12.836 10.559 -14.007 1.00 0.00 N ATOM 230 NH2 ARG A 15 -12.219 8.677 -15.161 1.00 0.00 N ATOM 0 H ARG A 15 -7.220 11.282 -10.569 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.903 9.811 -12.539 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.164 9.319 -13.331 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.194 9.383 -11.580 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.022 11.762 -11.742 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.116 11.567 -13.481 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.600 9.866 -11.443 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.298 11.193 -12.349 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.201 8.745 -13.701 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.647 11.258 -13.289 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.686 10.620 -14.567 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.553 7.923 -15.333 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.071 8.742 -15.718 1.00 0.00 H new ATOM 244 N SER A 16 -6.608 12.794 -13.551 1.00 0.00 N ATOM 245 CA SER A 16 -6.442 13.703 -14.672 1.00 0.00 C ATOM 246 C SER A 16 -4.968 13.876 -15.020 1.00 0.00 C ATOM 247 O SER A 16 -4.590 13.864 -16.194 1.00 0.00 O ATOM 248 CB SER A 16 -7.091 15.041 -14.338 1.00 0.00 C ATOM 249 OG SER A 16 -8.466 14.876 -14.030 1.00 0.00 O ATOM 0 H SER A 16 -6.810 13.247 -12.660 1.00 0.00 H new ATOM 0 HA SER A 16 -6.933 13.282 -15.549 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.577 15.497 -13.492 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.983 15.722 -15.182 1.00 0.00 H new ATOM 0 HG SER A 16 -8.860 15.748 -13.817 1.00 0.00 H new ATOM 255 N SER A 17 -4.135 14.018 -13.998 1.00 0.00 N ATOM 256 CA SER A 17 -2.696 14.015 -14.180 1.00 0.00 C ATOM 257 C SER A 17 -2.254 12.586 -14.459 1.00 0.00 C ATOM 258 O SER A 17 -1.149 12.321 -14.938 1.00 0.00 O ATOM 259 CB SER A 17 -2.028 14.532 -12.909 1.00 0.00 C ATOM 260 OG SER A 17 -2.688 15.690 -12.417 1.00 0.00 O ATOM 0 H SER A 17 -4.436 14.137 -13.031 1.00 0.00 H new ATOM 0 HA SER A 17 -2.412 14.658 -15.013 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.038 13.753 -12.147 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.983 14.765 -13.113 1.00 0.00 H new ATOM 0 HG SER A 17 -2.241 16.000 -11.602 1.00 0.00 H new ATOM 266 N TRP A 18 -3.170 11.682 -14.167 1.00 0.00 N ATOM 267 CA TRP A 18 -2.943 10.262 -14.246 1.00 0.00 C ATOM 268 C TRP A 18 -3.666 9.640 -15.426 1.00 0.00 C ATOM 269 O TRP A 18 -4.608 8.865 -15.242 1.00 0.00 O ATOM 270 CB TRP A 18 -3.434 9.593 -12.975 1.00 0.00 C ATOM 271 CG TRP A 18 -2.379 9.340 -11.967 1.00 0.00 C ATOM 272 CD1 TRP A 18 -1.261 10.074 -11.717 1.00 0.00 C ATOM 273 CD2 TRP A 18 -2.367 8.255 -11.062 1.00 0.00 C ATOM 274 NE1 TRP A 18 -0.544 9.493 -10.695 1.00 0.00 N ATOM 275 CE2 TRP A 18 -1.209 8.368 -10.277 1.00 0.00 C ATOM 276 CE3 TRP A 18 -3.238 7.197 -10.849 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -0.899 7.444 -9.285 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -2.935 6.278 -9.870 1.00 0.00 C ATOM 279 CH2 TRP A 18 -1.774 6.405 -9.096 1.00 0.00 C ATOM 0 H TRP A 18 -4.112 11.926 -13.862 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.871 10.111 -14.374 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.206 10.218 -12.526 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.904 8.645 -13.237 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.979 10.975 -12.241 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.335 9.841 -10.312 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.136 7.096 -11.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.005 7.541 -8.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.602 5.447 -9.696 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -1.564 5.669 -8.334 1.00 0.00 H new ATOM 290 N LYS A 19 -3.259 10.016 -16.628 1.00 0.00 N ATOM 291 CA LYS A 19 -3.589 9.239 -17.807 1.00 0.00 C ATOM 292 C LYS A 19 -3.386 7.792 -17.421 1.00 0.00 C ATOM 293 O LYS A 19 -2.311 7.432 -16.937 1.00 0.00 O ATOM 294 CB LYS A 19 -2.704 9.657 -18.989 1.00 0.00 C ATOM 295 CG LYS A 19 -2.831 11.134 -19.350 1.00 0.00 C ATOM 296 CD LYS A 19 -4.263 11.506 -19.705 1.00 0.00 C ATOM 297 CE LYS A 19 -4.390 12.970 -20.107 1.00 0.00 C ATOM 298 NZ LYS A 19 -4.083 13.900 -18.986 1.00 0.00 N ATOM 0 H LYS A 19 -2.702 10.851 -16.810 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.616 9.402 -18.133 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.664 9.438 -18.749 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.965 9.054 -19.859 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.494 11.744 -18.512 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.177 11.360 -20.192 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.609 10.874 -20.523 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.911 11.307 -18.852 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.716 13.174 -20.939 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.403 13.159 -20.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.511 14.828 -19.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.471 13.516 -18.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.052 14.006 -18.895 1.00 0.00 H new ATOM 312 N ASN A 20 -4.365 6.918 -17.658 1.00 0.00 N ATOM 313 CA ASN A 20 -5.115 6.743 -18.921 1.00 0.00 C ATOM 314 C ASN A 20 -4.213 5.894 -19.809 1.00 0.00 C ATOM 315 O ASN A 20 -4.498 5.590 -20.968 1.00 0.00 O ATOM 316 CB ASN A 20 -5.532 8.059 -19.608 1.00 0.00 C ATOM 317 CG ASN A 20 -6.508 7.857 -20.760 1.00 0.00 C ATOM 318 OD1 ASN A 20 -7.720 7.775 -20.555 1.00 0.00 O ATOM 319 ND2 ASN A 20 -5.994 7.820 -21.981 1.00 0.00 N ATOM 0 H ASN A 20 -4.681 6.271 -16.936 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.073 6.263 -18.719 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.986 8.718 -18.868 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.641 8.564 -19.981 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.607 7.721 -22.790 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.985 7.891 -22.112 1.00 0.00 H new ATOM 326 N THR A 21 -3.111 5.499 -19.183 1.00 0.00 N ATOM 327 CA THR A 21 -2.227 4.463 -19.666 1.00 0.00 C ATOM 328 C THR A 21 -2.319 3.298 -18.681 1.00 0.00 C ATOM 329 O THR A 21 -3.178 3.314 -17.797 1.00 0.00 O ATOM 330 CB THR A 21 -0.775 4.973 -19.736 1.00 0.00 C ATOM 331 OG1 THR A 21 -0.373 5.465 -18.449 1.00 0.00 O ATOM 332 CG2 THR A 21 -0.632 6.080 -20.772 1.00 0.00 C ATOM 0 H THR A 21 -2.805 5.907 -18.300 1.00 0.00 H new ATOM 0 HA THR A 21 -2.518 4.155 -20.670 1.00 0.00 H new ATOM 0 HB THR A 21 -0.135 4.141 -20.031 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.508 5.102 -18.221 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.403 6.421 -20.800 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.915 5.699 -21.753 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.282 6.914 -20.506 1.00 0.00 H new ATOM 340 N LYS A 22 -1.439 2.311 -18.786 1.00 0.00 N ATOM 341 CA LYS A 22 -1.493 1.171 -17.873 1.00 0.00 C ATOM 342 C LYS A 22 -0.884 1.492 -16.504 1.00 0.00 C ATOM 343 O LYS A 22 -0.847 0.631 -15.628 1.00 0.00 O ATOM 344 CB LYS A 22 -0.792 -0.048 -18.468 1.00 0.00 C ATOM 345 CG LYS A 22 -1.507 -0.645 -19.668 1.00 0.00 C ATOM 346 CD LYS A 22 -0.866 -1.952 -20.099 1.00 0.00 C ATOM 347 CE LYS A 22 0.591 -1.762 -20.491 1.00 0.00 C ATOM 348 NZ LYS A 22 0.741 -0.925 -21.710 1.00 0.00 N ATOM 0 H LYS A 22 -0.692 2.273 -19.479 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.550 0.945 -17.730 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.219 0.234 -18.763 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.697 -0.812 -17.697 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.555 -0.816 -19.422 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.485 0.063 -20.496 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.933 -2.675 -19.286 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.418 -2.368 -20.942 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.130 -1.298 -19.665 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.049 -2.736 -20.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.738 -0.920 -22.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.153 -1.316 -22.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.437 0.048 -21.503 1.00 0.00 H new ATOM 362 N HIS A 23 -0.410 2.722 -16.316 1.00 0.00 N ATOM 363 CA HIS A 23 0.162 3.134 -15.027 1.00 0.00 C ATOM 364 C HIS A 23 -0.876 3.019 -13.912 1.00 0.00 C ATOM 365 O HIS A 23 -0.594 2.477 -12.845 1.00 0.00 O ATOM 366 CB HIS A 23 0.697 4.570 -15.086 1.00 0.00 C ATOM 367 CG HIS A 23 2.009 4.722 -15.799 1.00 0.00 C ATOM 368 ND1 HIS A 23 2.304 4.776 -17.121 1.00 0.00 N flip ATOM 369 CD2 HIS A 23 3.207 4.882 -15.139 1.00 0.00 C flip ATOM 370 CE1 HIS A 23 3.659 4.968 -17.234 1.00 0.00 C flip ATOM 371 NE2 HIS A 23 4.178 5.028 -16.021 1.00 0.00 N flip ATOM 0 H HIS A 23 -0.408 3.449 -17.031 1.00 0.00 H new ATOM 0 HA HIS A 23 0.994 2.463 -14.812 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.044 5.199 -15.579 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.807 4.944 -14.068 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.333 4.887 -14.066 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.208 5.055 -18.160 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.165 5.164 -15.802 1.00 0.00 H new ATOM 380 N ALA A 24 -2.082 3.511 -14.178 1.00 0.00 N ATOM 381 CA ALA A 24 -3.170 3.443 -13.211 1.00 0.00 C ATOM 382 C ALA A 24 -3.563 1.992 -12.946 1.00 0.00 C ATOM 383 O ALA A 24 -3.875 1.619 -11.814 1.00 0.00 O ATOM 384 CB ALA A 24 -4.367 4.233 -13.713 1.00 0.00 C ATOM 0 H ALA A 24 -2.330 3.962 -15.058 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.829 3.882 -12.273 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.174 4.175 -12.982 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.081 5.275 -13.856 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.706 3.816 -14.661 1.00 0.00 H new ATOM 390 N ASP A 25 -3.527 1.173 -13.997 1.00 0.00 N ATOM 391 CA ASP A 25 -3.863 -0.246 -13.877 1.00 0.00 C ATOM 392 C ASP A 25 -2.816 -0.965 -13.043 1.00 0.00 C ATOM 393 O ASP A 25 -3.146 -1.780 -12.188 1.00 0.00 O ATOM 394 CB ASP A 25 -3.966 -0.902 -15.257 1.00 0.00 C ATOM 395 CG ASP A 25 -4.513 -2.318 -15.192 1.00 0.00 C ATOM 396 OD1 ASP A 25 -3.716 -3.266 -15.020 1.00 0.00 O ATOM 397 OD2 ASP A 25 -5.748 -2.488 -15.332 1.00 0.00 O ATOM 0 H ASP A 25 -3.269 1.467 -14.939 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.832 -0.324 -13.383 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.610 -0.297 -15.896 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.980 -0.918 -15.722 1.00 0.00 H new ATOM 402 N GLN A 26 -1.552 -0.637 -13.284 1.00 0.00 N ATOM 403 CA GLN A 26 -0.450 -1.196 -12.517 1.00 0.00 C ATOM 404 C GLN A 26 -0.613 -0.894 -11.030 1.00 0.00 C ATOM 405 O GLN A 26 -0.314 -1.733 -10.178 1.00 0.00 O ATOM 406 CB GLN A 26 0.882 -0.634 -13.022 1.00 0.00 C ATOM 407 CG GLN A 26 1.395 -1.305 -14.285 1.00 0.00 C ATOM 408 CD GLN A 26 2.779 -0.829 -14.690 1.00 0.00 C ATOM 409 OE1 GLN A 26 3.793 -1.369 -14.247 1.00 0.00 O ATOM 410 NE2 GLN A 26 2.833 0.172 -15.551 1.00 0.00 N ATOM 0 H GLN A 26 -1.266 0.019 -14.011 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.456 -2.278 -12.651 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.766 0.433 -13.211 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.631 -0.740 -12.237 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.418 -2.384 -14.133 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.698 -1.113 -15.101 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.971 0.595 -15.896 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.736 0.522 -15.870 1.00 0.00 H new ATOM 419 N TRP A 27 -1.082 0.307 -10.724 1.00 0.00 N ATOM 420 CA TRP A 27 -1.380 0.681 -9.348 1.00 0.00 C ATOM 421 C TRP A 27 -2.556 -0.125 -8.807 1.00 0.00 C ATOM 422 O TRP A 27 -2.460 -0.740 -7.747 1.00 0.00 O ATOM 423 CB TRP A 27 -1.693 2.176 -9.257 1.00 0.00 C ATOM 424 CG TRP A 27 -0.489 3.032 -9.033 1.00 0.00 C ATOM 425 CD1 TRP A 27 0.502 3.317 -9.927 1.00 0.00 C ATOM 426 CD2 TRP A 27 -0.157 3.729 -7.828 1.00 0.00 C ATOM 427 NE1 TRP A 27 1.432 4.147 -9.348 1.00 0.00 N ATOM 428 CE2 TRP A 27 1.048 4.415 -8.058 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.769 3.838 -6.576 1.00 0.00 C ATOM 430 CZ2 TRP A 27 1.656 5.199 -7.078 1.00 0.00 C ATOM 431 CZ3 TRP A 27 -0.167 4.614 -5.606 1.00 0.00 C ATOM 432 CH2 TRP A 27 1.033 5.287 -5.860 1.00 0.00 C ATOM 0 H TRP A 27 -1.265 1.040 -11.410 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.500 0.462 -8.743 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.185 2.491 -10.177 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.401 2.341 -8.444 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.549 2.945 -10.940 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.271 4.506 -9.803 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.697 3.324 -6.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.583 5.718 -7.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.630 4.703 -4.634 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.478 5.888 -5.081 1.00 0.00 H new ATOM 443 N THR A 28 -3.647 -0.135 -9.560 1.00 0.00 N ATOM 444 CA THR A 28 -4.883 -0.768 -9.119 1.00 0.00 C ATOM 445 C THR A 28 -4.731 -2.284 -8.984 1.00 0.00 C ATOM 446 O THR A 28 -5.044 -2.854 -7.940 1.00 0.00 O ATOM 447 CB THR A 28 -6.029 -0.467 -10.108 1.00 0.00 C ATOM 448 OG1 THR A 28 -6.095 0.942 -10.370 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.367 -0.943 -9.559 1.00 0.00 C ATOM 0 H THR A 28 -3.701 0.291 -10.485 1.00 0.00 H new ATOM 0 HA THR A 28 -5.118 -0.353 -8.139 1.00 0.00 H new ATOM 0 HB THR A 28 -5.823 -1.004 -11.034 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.342 1.204 -10.940 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.156 -0.718 -10.277 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.328 -2.019 -9.388 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.576 -0.434 -8.618 1.00 0.00 H new ATOM 457 N ASN A 29 -4.220 -2.917 -10.035 1.00 0.00 N ATOM 458 CA ASN A 29 -4.213 -4.376 -10.144 1.00 0.00 C ATOM 459 C ASN A 29 -3.419 -5.027 -9.013 1.00 0.00 C ATOM 460 O ASN A 29 -3.919 -5.929 -8.344 1.00 0.00 O ATOM 461 CB ASN A 29 -3.628 -4.790 -11.499 1.00 0.00 C ATOM 462 CG ASN A 29 -3.934 -6.232 -11.868 1.00 0.00 C ATOM 463 OD1 ASN A 29 -4.034 -7.107 -11.007 1.00 0.00 O ATOM 464 ND2 ASN A 29 -4.094 -6.487 -13.157 1.00 0.00 N ATOM 0 H ASN A 29 -3.801 -2.439 -10.832 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.244 -4.722 -10.065 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.022 -4.132 -12.274 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.547 -4.648 -11.479 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.308 -7.435 -13.467 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.003 -5.735 -13.841 1.00 0.00 H new ATOM 471 N THR A 30 -2.199 -4.554 -8.785 1.00 0.00 N ATOM 472 CA THR A 30 -1.331 -5.156 -7.778 1.00 0.00 C ATOM 473 C THR A 30 -1.944 -5.051 -6.382 1.00 0.00 C ATOM 474 O THR A 30 -2.008 -6.038 -5.645 1.00 0.00 O ATOM 475 CB THR A 30 0.057 -4.493 -7.764 1.00 0.00 C ATOM 476 OG1 THR A 30 0.590 -4.446 -9.089 1.00 0.00 O ATOM 477 CG2 THR A 30 1.021 -5.255 -6.862 1.00 0.00 C ATOM 0 H THR A 30 -1.790 -3.761 -9.280 1.00 0.00 H new ATOM 0 HA THR A 30 -1.223 -6.207 -8.046 1.00 0.00 H new ATOM 0 HB THR A 30 -0.059 -3.481 -7.376 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.340 -3.598 -9.512 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.994 -4.764 -6.872 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.632 -5.270 -5.844 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.127 -6.277 -7.225 1.00 0.00 H new ATOM 485 N ILE A 31 -2.409 -3.858 -6.033 1.00 0.00 N ATOM 486 CA ILE A 31 -2.973 -3.625 -4.711 1.00 0.00 C ATOM 487 C ILE A 31 -4.275 -4.397 -4.538 1.00 0.00 C ATOM 488 O ILE A 31 -4.509 -5.010 -3.496 1.00 0.00 O ATOM 489 CB ILE A 31 -3.215 -2.118 -4.455 1.00 0.00 C ATOM 490 CG1 ILE A 31 -1.895 -1.348 -4.562 1.00 0.00 C ATOM 491 CG2 ILE A 31 -3.855 -1.894 -3.089 1.00 0.00 C ATOM 492 CD1 ILE A 31 -2.049 0.150 -4.406 1.00 0.00 C ATOM 0 H ILE A 31 -2.407 -3.041 -6.644 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.248 -3.982 -3.980 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.903 -1.745 -5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.208 -1.715 -3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.439 -1.559 -5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.015 -0.827 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.812 -2.415 -3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.196 -2.280 -2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.073 0.627 -4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.710 0.531 -5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.475 0.372 -3.428 1.00 0.00 H new ATOM 504 N LYS A 32 -5.107 -4.388 -5.572 1.00 0.00 N ATOM 505 CA LYS A 32 -6.381 -5.093 -5.537 1.00 0.00 C ATOM 506 C LYS A 32 -6.168 -6.592 -5.376 1.00 0.00 C ATOM 507 O LYS A 32 -6.944 -7.275 -4.713 1.00 0.00 O ATOM 508 CB LYS A 32 -7.172 -4.841 -6.820 1.00 0.00 C ATOM 509 CG LYS A 32 -8.595 -5.364 -6.747 1.00 0.00 C ATOM 510 CD LYS A 32 -9.262 -5.393 -8.109 1.00 0.00 C ATOM 511 CE LYS A 32 -10.669 -5.956 -8.015 1.00 0.00 C ATOM 512 NZ LYS A 32 -11.258 -6.233 -9.352 1.00 0.00 N ATOM 0 H LYS A 32 -4.921 -3.899 -6.447 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.942 -4.715 -4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.193 -3.770 -7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.658 -5.314 -7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.590 -6.369 -6.324 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.177 -4.737 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.297 -4.385 -8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.670 -5.998 -8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.651 -6.876 -7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.305 -5.251 -7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.218 -6.616 -9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.301 -5.351 -9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.668 -6.926 -9.855 1.00 0.00 H new ATOM 526 N THR A 33 -5.106 -7.091 -5.980 1.00 0.00 N ATOM 527 CA THR A 33 -4.846 -8.519 -5.996 1.00 0.00 C ATOM 528 C THR A 33 -4.180 -8.991 -4.703 1.00 0.00 C ATOM 529 O THR A 33 -4.641 -9.941 -4.079 1.00 0.00 O ATOM 530 CB THR A 33 -3.978 -8.905 -7.211 1.00 0.00 C ATOM 531 OG1 THR A 33 -4.637 -8.497 -8.419 1.00 0.00 O ATOM 532 CG2 THR A 33 -3.725 -10.404 -7.251 1.00 0.00 C ATOM 0 H THR A 33 -4.408 -6.528 -6.467 1.00 0.00 H new ATOM 0 HA THR A 33 -5.811 -9.019 -6.077 1.00 0.00 H new ATOM 0 HB THR A 33 -3.017 -8.398 -7.121 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.406 -7.566 -8.619 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.111 -10.646 -8.118 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.207 -10.710 -6.342 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.676 -10.932 -7.321 1.00 0.00 H new ATOM 540 N TYR A 34 -3.098 -8.339 -4.301 1.00 0.00 N ATOM 541 CA TYR A 34 -2.371 -8.759 -3.106 1.00 0.00 C ATOM 542 C TYR A 34 -3.041 -8.277 -1.818 1.00 0.00 C ATOM 543 O TYR A 34 -3.265 -9.065 -0.897 1.00 0.00 O ATOM 544 CB TYR A 34 -0.917 -8.295 -3.170 1.00 0.00 C ATOM 545 CG TYR A 34 -0.097 -9.070 -4.177 1.00 0.00 C ATOM 546 CD1 TYR A 34 0.374 -10.340 -3.877 1.00 0.00 C ATOM 547 CD2 TYR A 34 0.196 -8.541 -5.428 1.00 0.00 C ATOM 548 CE1 TYR A 34 1.116 -11.060 -4.791 1.00 0.00 C ATOM 549 CE2 TYR A 34 0.934 -9.258 -6.350 1.00 0.00 C ATOM 550 CZ TYR A 34 1.393 -10.517 -6.026 1.00 0.00 C ATOM 551 OH TYR A 34 2.122 -11.242 -6.940 1.00 0.00 O ATOM 0 H TYR A 34 -2.706 -7.526 -4.777 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.390 -9.849 -3.084 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.890 -7.236 -3.425 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.464 -8.398 -2.184 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.156 -10.773 -2.912 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.159 -7.554 -5.684 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.478 -12.046 -4.539 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.150 -8.834 -7.320 1.00 0.00 H new ATOM 0 HH TYR A 34 1.962 -12.199 -6.801 1.00 0.00 H new ATOM 561 N CYS A 35 -3.374 -6.994 -1.764 1.00 0.00 N ATOM 562 CA CYS A 35 -3.907 -6.394 -0.544 1.00 0.00 C ATOM 563 C CYS A 35 -5.427 -6.517 -0.481 1.00 0.00 C ATOM 564 O CYS A 35 -6.002 -6.589 0.604 1.00 0.00 O ATOM 565 CB CYS A 35 -3.495 -4.920 -0.460 1.00 0.00 C ATOM 566 SG CYS A 35 -1.713 -4.649 -0.596 1.00 0.00 S ATOM 0 H CYS A 35 -3.285 -6.348 -2.548 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.491 -6.935 0.306 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.998 -4.366 -1.253 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.844 -4.509 0.487 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.476 -3.378 -0.730 1.00 0.00 H new ATOM 572 N GLY A 36 -6.058 -6.557 -1.653 1.00 0.00 N ATOM 573 CA GLY A 36 -7.512 -6.608 -1.750 1.00 0.00 C ATOM 574 C GLY A 36 -8.155 -7.682 -0.884 1.00 0.00 C ATOM 575 O GLY A 36 -8.904 -7.360 0.032 1.00 0.00 O ATOM 0 H GLY A 36 -5.579 -6.555 -2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.919 -5.637 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.790 -6.780 -2.790 1.00 0.00 H new ATOM 579 N PRO A 37 -7.890 -8.970 -1.150 1.00 0.00 N ATOM 580 CA PRO A 37 -8.493 -10.081 -0.396 1.00 0.00 C ATOM 581 C PRO A 37 -8.270 -9.986 1.114 1.00 0.00 C ATOM 582 O PRO A 37 -9.069 -10.494 1.901 1.00 0.00 O ATOM 583 CB PRO A 37 -7.784 -11.315 -0.953 1.00 0.00 C ATOM 584 CG PRO A 37 -7.344 -10.915 -2.314 1.00 0.00 C ATOM 585 CD PRO A 37 -7.004 -9.455 -2.222 1.00 0.00 C ATOM 0 HA PRO A 37 -9.577 -10.091 -0.514 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.936 -11.599 -0.330 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.454 -12.174 -0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.480 -11.498 -2.633 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.133 -11.087 -3.046 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.953 -9.301 -1.976 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.191 -8.938 -3.163 1.00 0.00 H new ATOM 593 N VAL A 38 -7.193 -9.325 1.518 1.00 0.00 N ATOM 594 CA VAL A 38 -6.854 -9.233 2.932 1.00 0.00 C ATOM 595 C VAL A 38 -7.434 -7.968 3.566 1.00 0.00 C ATOM 596 O VAL A 38 -8.418 -8.032 4.301 1.00 0.00 O ATOM 597 CB VAL A 38 -5.328 -9.266 3.164 1.00 0.00 C ATOM 598 CG1 VAL A 38 -5.018 -9.342 4.652 1.00 0.00 C ATOM 599 CG2 VAL A 38 -4.693 -10.430 2.418 1.00 0.00 C ATOM 0 H VAL A 38 -6.544 -8.848 0.892 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.297 -10.107 3.409 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.901 -8.343 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.938 -9.365 4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.434 -8.469 5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.460 -10.247 5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.618 -10.433 2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.122 -11.367 2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.883 -10.325 1.350 1.00 0.00 H new ATOM 609 N ILE A 39 -6.840 -6.821 3.256 1.00 0.00 N ATOM 610 CA ILE A 39 -7.210 -5.564 3.908 1.00 0.00 C ATOM 611 C ILE A 39 -8.112 -4.713 3.022 1.00 0.00 C ATOM 612 O ILE A 39 -8.520 -3.623 3.413 1.00 0.00 O ATOM 613 CB ILE A 39 -5.963 -4.738 4.301 1.00 0.00 C ATOM 614 CG1 ILE A 39 -5.093 -4.454 3.069 1.00 0.00 C ATOM 615 CG2 ILE A 39 -5.159 -5.461 5.376 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.895 -3.575 3.359 1.00 0.00 C ATOM 0 H ILE A 39 -6.101 -6.733 2.559 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.756 -5.837 4.811 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.297 -3.784 4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.746 -5.400 2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.706 -3.977 2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.285 -4.865 5.640 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.780 -5.605 6.260 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.836 -6.431 4.998 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.328 -3.418 2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.234 -2.614 3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.259 -4.059 4.100 1.00 0.00 H new ATOM 628 N GLY A 40 -8.428 -5.228 1.842 1.00 0.00 N ATOM 629 CA GLY A 40 -9.252 -4.500 0.890 1.00 0.00 C ATOM 630 C GLY A 40 -10.600 -4.086 1.457 1.00 0.00 C ATOM 631 O GLY A 40 -10.877 -2.889 1.565 1.00 0.00 O ATOM 0 H GLY A 40 -8.125 -6.148 1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.715 -3.610 0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.411 -5.121 0.008 1.00 0.00 H new ATOM 635 N PRO A 41 -11.473 -5.050 1.817 1.00 0.00 N ATOM 636 CA PRO A 41 -12.800 -4.760 2.366 1.00 0.00 C ATOM 637 C PRO A 41 -12.745 -4.321 3.827 1.00 0.00 C ATOM 638 O PRO A 41 -13.773 -4.019 4.437 1.00 0.00 O ATOM 639 CB PRO A 41 -13.561 -6.090 2.233 1.00 0.00 C ATOM 640 CG PRO A 41 -12.646 -7.016 1.495 1.00 0.00 C ATOM 641 CD PRO A 41 -11.258 -6.493 1.705 1.00 0.00 C ATOM 0 HA PRO A 41 -13.276 -3.934 1.838 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.817 -6.493 3.213 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.497 -5.952 1.691 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.738 -8.035 1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.894 -7.044 0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.801 -6.906 2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.601 -6.741 0.871 1.00 0.00 H new ATOM 649 N LEU A 42 -11.546 -4.283 4.384 1.00 0.00 N ATOM 650 CA LEU A 42 -11.359 -3.786 5.734 1.00 0.00 C ATOM 651 C LEU A 42 -11.308 -2.266 5.709 1.00 0.00 C ATOM 652 O LEU A 42 -11.054 -1.664 4.663 1.00 0.00 O ATOM 653 CB LEU A 42 -10.076 -4.351 6.355 1.00 0.00 C ATOM 654 CG LEU A 42 -10.065 -5.866 6.574 1.00 0.00 C ATOM 655 CD1 LEU A 42 -8.763 -6.306 7.230 1.00 0.00 C ATOM 656 CD2 LEU A 42 -11.260 -6.290 7.418 1.00 0.00 C ATOM 0 H LEU A 42 -10.690 -4.590 3.922 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.199 -4.112 6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.235 -4.088 5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.910 -3.861 7.314 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.138 -6.354 5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.776 -7.386 7.377 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.924 -6.037 6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.656 -5.810 8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.237 -7.370 7.564 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.217 -5.792 8.386 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.182 -6.012 6.908 1.00 0.00 H new ATOM 668 N SER A 43 -11.569 -1.645 6.846 1.00 0.00 N ATOM 669 CA SER A 43 -11.538 -0.197 6.933 1.00 0.00 C ATOM 670 C SER A 43 -10.120 0.314 6.747 1.00 0.00 C ATOM 671 O SER A 43 -9.155 -0.343 7.144 1.00 0.00 O ATOM 672 CB SER A 43 -12.067 0.269 8.287 1.00 0.00 C ATOM 673 OG SER A 43 -12.162 1.683 8.339 1.00 0.00 O ATOM 0 H SER A 43 -11.804 -2.119 7.718 1.00 0.00 H new ATOM 0 HA SER A 43 -12.173 0.203 6.142 1.00 0.00 H new ATOM 0 HB2 SER A 43 -13.047 -0.171 8.469 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.407 -0.084 9.080 1.00 0.00 H new ATOM 0 HG SER A 43 -12.650 1.949 9.146 1.00 0.00 H new ATOM 679 N VAL A 44 -9.995 1.492 6.156 1.00 0.00 N ATOM 680 CA VAL A 44 -8.701 2.150 6.054 1.00 0.00 C ATOM 681 C VAL A 44 -8.202 2.500 7.456 1.00 0.00 C ATOM 682 O VAL A 44 -7.016 2.742 7.673 1.00 0.00 O ATOM 683 CB VAL A 44 -8.780 3.416 5.167 1.00 0.00 C ATOM 684 CG1 VAL A 44 -9.701 4.461 5.783 1.00 0.00 C ATOM 685 CG2 VAL A 44 -7.395 3.991 4.907 1.00 0.00 C ATOM 0 H VAL A 44 -10.769 2.010 5.741 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.997 1.467 5.579 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.204 3.123 4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.737 5.339 5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.703 4.046 5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.322 4.747 6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.481 4.879 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.928 4.259 5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.782 3.247 4.398 1.00 0.00 H new ATOM 695 N GLN A 45 -9.135 2.499 8.407 1.00 0.00 N ATOM 696 CA GLN A 45 -8.829 2.687 9.808 1.00 0.00 C ATOM 697 C GLN A 45 -8.182 1.435 10.385 1.00 0.00 C ATOM 698 O GLN A 45 -7.305 1.514 11.244 1.00 0.00 O ATOM 699 CB GLN A 45 -10.120 2.985 10.566 1.00 0.00 C ATOM 700 CG GLN A 45 -10.756 4.310 10.196 1.00 0.00 C ATOM 701 CD GLN A 45 -10.072 5.487 10.850 1.00 0.00 C ATOM 702 OE1 GLN A 45 -8.881 5.442 11.159 1.00 0.00 O ATOM 703 NE2 GLN A 45 -10.821 6.556 11.052 1.00 0.00 N ATOM 0 H GLN A 45 -10.128 2.366 8.217 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.133 3.520 9.911 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.835 2.184 10.376 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.912 2.979 11.636 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.726 4.433 9.113 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.807 4.298 10.487 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.804 6.549 10.780 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.416 7.389 11.480 1.00 0.00 H new ATOM 712 N ASP A 46 -8.611 0.278 9.897 1.00 0.00 N ATOM 713 CA ASP A 46 -8.175 -0.996 10.455 1.00 0.00 C ATOM 714 C ASP A 46 -6.854 -1.477 9.883 1.00 0.00 C ATOM 715 O ASP A 46 -6.316 -2.483 10.344 1.00 0.00 O ATOM 716 CB ASP A 46 -9.239 -2.071 10.261 1.00 0.00 C ATOM 717 CG ASP A 46 -10.218 -2.097 11.412 1.00 0.00 C ATOM 718 OD1 ASP A 46 -9.823 -2.536 12.512 1.00 0.00 O ATOM 719 OD2 ASP A 46 -11.371 -1.660 11.231 1.00 0.00 O ATOM 0 H ASP A 46 -9.261 0.195 9.115 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.023 -0.819 11.520 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.776 -1.889 9.330 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.760 -3.046 10.168 1.00 0.00 H new ATOM 724 N VAL A 47 -6.332 -0.776 8.891 1.00 0.00 N ATOM 725 CA VAL A 47 -5.031 -1.120 8.336 1.00 0.00 C ATOM 726 C VAL A 47 -3.945 -0.917 9.389 1.00 0.00 C ATOM 727 O VAL A 47 -3.638 0.215 9.767 1.00 0.00 O ATOM 728 CB VAL A 47 -4.699 -0.282 7.083 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.370 -0.715 6.487 1.00 0.00 C ATOM 730 CG2 VAL A 47 -5.808 -0.403 6.050 1.00 0.00 C ATOM 0 H VAL A 47 -6.783 0.028 8.455 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.069 -2.168 8.038 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.619 0.763 7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.153 -0.113 5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.579 -0.577 7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.423 -1.766 6.204 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.556 0.195 5.174 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.920 -1.447 5.757 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.744 -0.044 6.477 1.00 0.00 H new ATOM 740 N ASP A 48 -3.384 -2.021 9.867 1.00 0.00 N ATOM 741 CA ASP A 48 -2.384 -1.983 10.930 1.00 0.00 C ATOM 742 C ASP A 48 -1.154 -2.787 10.532 1.00 0.00 C ATOM 743 O ASP A 48 -1.200 -3.583 9.591 1.00 0.00 O ATOM 744 CB ASP A 48 -2.984 -2.520 12.237 1.00 0.00 C ATOM 745 CG ASP A 48 -1.958 -2.771 13.330 1.00 0.00 C ATOM 746 OD1 ASP A 48 -1.486 -1.801 13.957 1.00 0.00 O ATOM 747 OD2 ASP A 48 -1.611 -3.950 13.550 1.00 0.00 O ATOM 0 H ASP A 48 -3.605 -2.959 9.534 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.078 -0.949 11.088 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.724 -1.809 12.604 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.512 -3.450 12.027 1.00 0.00 H new ATOM 752 N THR A 49 -0.073 -2.581 11.268 1.00 0.00 N ATOM 753 CA THR A 49 1.217 -3.190 10.971 1.00 0.00 C ATOM 754 C THR A 49 1.133 -4.717 10.960 1.00 0.00 C ATOM 755 O THR A 49 1.721 -5.368 10.097 1.00 0.00 O ATOM 756 CB THR A 49 2.272 -2.744 12.001 1.00 0.00 C ATOM 757 OG1 THR A 49 2.211 -1.324 12.166 1.00 0.00 O ATOM 758 CG2 THR A 49 3.671 -3.139 11.559 1.00 0.00 C ATOM 0 H THR A 49 -0.065 -1.983 12.094 1.00 0.00 H new ATOM 0 HA THR A 49 1.511 -2.855 9.976 1.00 0.00 H new ATOM 0 HB THR A 49 2.055 -3.240 12.947 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.882 -1.042 12.823 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.395 -2.811 12.305 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.726 -4.222 11.451 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.897 -2.667 10.603 1.00 0.00 H new ATOM 766 N LYS A 50 0.385 -5.276 11.907 1.00 0.00 N ATOM 767 CA LYS A 50 0.232 -6.722 12.018 1.00 0.00 C ATOM 768 C LYS A 50 -0.349 -7.285 10.722 1.00 0.00 C ATOM 769 O LYS A 50 0.140 -8.285 10.187 1.00 0.00 O ATOM 770 CB LYS A 50 -0.678 -7.048 13.212 1.00 0.00 C ATOM 771 CG LYS A 50 -0.660 -8.503 13.672 1.00 0.00 C ATOM 772 CD LYS A 50 -1.410 -9.426 12.719 1.00 0.00 C ATOM 773 CE LYS A 50 -1.485 -10.851 13.248 1.00 0.00 C ATOM 774 NZ LYS A 50 -0.143 -11.394 13.580 1.00 0.00 N ATOM 0 H LYS A 50 -0.127 -4.745 12.612 1.00 0.00 H new ATOM 0 HA LYS A 50 1.206 -7.183 12.183 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.388 -6.416 14.051 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.702 -6.780 12.950 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.373 -8.840 13.761 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.105 -8.572 14.665 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.419 -9.044 12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.915 -9.425 11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.115 -10.875 14.137 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.960 -11.489 12.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.213 -12.419 13.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.510 -11.211 12.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.215 -10.933 14.441 1.00 0.00 H new ATOM 788 N LEU A 51 -1.376 -6.614 10.213 1.00 0.00 N ATOM 789 CA LEU A 51 -2.048 -7.035 8.995 1.00 0.00 C ATOM 790 C LEU A 51 -1.120 -6.911 7.794 1.00 0.00 C ATOM 791 O LEU A 51 -1.049 -7.809 6.955 1.00 0.00 O ATOM 792 CB LEU A 51 -3.305 -6.190 8.781 1.00 0.00 C ATOM 793 CG LEU A 51 -4.377 -6.325 9.863 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.583 -5.460 9.527 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.791 -7.778 10.027 1.00 0.00 C ATOM 0 H LEU A 51 -1.762 -5.768 10.632 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.332 -8.082 9.098 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.011 -5.143 8.713 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.745 -6.460 7.821 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.958 -5.980 10.808 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.337 -5.568 10.307 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.275 -4.416 9.461 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.002 -5.775 8.572 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.554 -7.854 10.801 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.192 -8.151 9.084 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.924 -8.373 10.313 1.00 0.00 H new ATOM 807 N ILE A 52 -0.397 -5.799 7.725 1.00 0.00 N ATOM 808 CA ILE A 52 0.533 -5.550 6.632 1.00 0.00 C ATOM 809 C ILE A 52 1.614 -6.632 6.583 1.00 0.00 C ATOM 810 O ILE A 52 1.974 -7.119 5.510 1.00 0.00 O ATOM 811 CB ILE A 52 1.187 -4.157 6.767 1.00 0.00 C ATOM 812 CG1 ILE A 52 0.107 -3.070 6.756 1.00 0.00 C ATOM 813 CG2 ILE A 52 2.192 -3.918 5.650 1.00 0.00 C ATOM 814 CD1 ILE A 52 0.642 -1.672 6.981 1.00 0.00 C ATOM 0 H ILE A 52 -0.438 -5.052 8.418 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.034 -5.577 5.702 1.00 0.00 H new ATOM 0 HB ILE A 52 1.722 -4.117 7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.414 -3.099 5.799 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.629 -3.295 7.527 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.639 -2.931 5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.973 -4.677 5.695 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.685 -3.975 4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.182 -0.959 6.959 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.138 -1.624 7.950 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.356 -1.425 6.195 1.00 0.00 H new ATOM 826 N MET A 53 2.104 -7.025 7.754 1.00 0.00 N ATOM 827 CA MET A 53 3.117 -8.072 7.849 1.00 0.00 C ATOM 828 C MET A 53 2.581 -9.403 7.333 1.00 0.00 C ATOM 829 O MET A 53 3.311 -10.177 6.719 1.00 0.00 O ATOM 830 CB MET A 53 3.593 -8.243 9.295 1.00 0.00 C ATOM 831 CG MET A 53 4.430 -7.086 9.815 1.00 0.00 C ATOM 832 SD MET A 53 4.958 -7.345 11.517 1.00 0.00 S ATOM 833 CE MET A 53 5.986 -5.902 11.781 1.00 0.00 C ATOM 0 H MET A 53 1.816 -6.635 8.651 1.00 0.00 H new ATOM 0 HA MET A 53 3.960 -7.765 7.229 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.723 -8.366 9.940 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.177 -9.161 9.368 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.306 -6.958 9.179 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.853 -6.164 9.751 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.850 -6.177 12.386 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.324 -5.515 10.820 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.410 -5.135 12.299 1.00 0.00 H new ATOM 843 N LYS A 54 1.308 -9.668 7.590 1.00 0.00 N ATOM 844 CA LYS A 54 0.685 -10.907 7.145 1.00 0.00 C ATOM 845 C LYS A 54 0.542 -10.930 5.626 1.00 0.00 C ATOM 846 O LYS A 54 0.705 -11.975 4.996 1.00 0.00 O ATOM 847 CB LYS A 54 -0.680 -11.094 7.808 1.00 0.00 C ATOM 848 CG LYS A 54 -0.781 -12.329 8.702 1.00 0.00 C ATOM 849 CD LYS A 54 -0.702 -13.632 7.910 1.00 0.00 C ATOM 850 CE LYS A 54 0.737 -14.066 7.649 1.00 0.00 C ATOM 851 NZ LYS A 54 1.421 -14.536 8.886 1.00 0.00 N ATOM 0 H LYS A 54 0.687 -9.043 8.104 1.00 0.00 H new ATOM 0 HA LYS A 54 1.332 -11.733 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.906 -10.209 8.403 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.442 -11.159 7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.022 -12.306 9.439 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.721 -12.299 9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.223 -14.418 8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.220 -13.508 6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.744 -14.865 6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.294 -13.231 7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.288 -15.050 8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.667 -13.718 9.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.787 -15.169 9.414 1.00 0.00 H new ATOM 865 N VAL A 55 0.227 -9.775 5.048 1.00 0.00 N ATOM 866 CA VAL A 55 0.100 -9.649 3.599 1.00 0.00 C ATOM 867 C VAL A 55 1.458 -9.809 2.916 1.00 0.00 C ATOM 868 O VAL A 55 1.602 -10.574 1.965 1.00 0.00 O ATOM 869 CB VAL A 55 -0.501 -8.282 3.195 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.679 -8.193 1.686 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.826 -8.049 3.901 1.00 0.00 C ATOM 0 H VAL A 55 0.055 -8.911 5.562 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.572 -10.443 3.273 1.00 0.00 H new ATOM 0 HB VAL A 55 0.196 -7.502 3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.103 -7.223 1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.289 -8.308 1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.351 -8.984 1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.232 -7.082 3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.528 -8.837 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.670 -8.060 4.980 1.00 0.00 H new ATOM 881 N LEU A 56 2.452 -9.094 3.429 1.00 0.00 N ATOM 882 CA LEU A 56 3.778 -9.049 2.815 1.00 0.00 C ATOM 883 C LEU A 56 4.557 -10.342 3.026 1.00 0.00 C ATOM 884 O LEU A 56 5.437 -10.672 2.234 1.00 0.00 O ATOM 885 CB LEU A 56 4.583 -7.879 3.383 1.00 0.00 C ATOM 886 CG LEU A 56 4.033 -6.492 3.068 1.00 0.00 C ATOM 887 CD1 LEU A 56 4.855 -5.437 3.782 1.00 0.00 C ATOM 888 CD2 LEU A 56 4.031 -6.244 1.566 1.00 0.00 C ATOM 0 H LEU A 56 2.365 -8.532 4.276 1.00 0.00 H new ATOM 0 HA LEU A 56 3.628 -8.917 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.640 -7.991 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.602 -7.942 3.002 1.00 0.00 H new ATOM 0 HG LEU A 56 3.003 -6.434 3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.457 -4.449 3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.809 -5.606 4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.891 -5.497 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.635 -5.249 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.050 -6.314 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.407 -6.991 1.075 1.00 0.00 H new ATOM 900 N ASP A 57 4.215 -11.067 4.086 1.00 0.00 N ATOM 901 CA ASP A 57 4.974 -12.251 4.508 1.00 0.00 C ATOM 902 C ASP A 57 5.251 -13.224 3.348 1.00 0.00 C ATOM 903 O ASP A 57 6.409 -13.558 3.089 1.00 0.00 O ATOM 904 CB ASP A 57 4.238 -12.978 5.639 1.00 0.00 C ATOM 905 CG ASP A 57 5.162 -13.811 6.503 1.00 0.00 C ATOM 906 OD1 ASP A 57 5.366 -15.002 6.191 1.00 0.00 O ATOM 907 OD2 ASP A 57 5.666 -13.286 7.520 1.00 0.00 O ATOM 0 H ASP A 57 3.410 -10.857 4.677 1.00 0.00 H new ATOM 0 HA ASP A 57 5.940 -11.896 4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.727 -12.245 6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.470 -13.622 5.211 1.00 0.00 H new ATOM 912 N PRO A 58 4.212 -13.692 2.621 1.00 0.00 N ATOM 913 CA PRO A 58 4.405 -14.609 1.492 1.00 0.00 C ATOM 914 C PRO A 58 4.971 -13.907 0.254 1.00 0.00 C ATOM 915 O PRO A 58 5.498 -14.554 -0.653 1.00 0.00 O ATOM 916 CB PRO A 58 2.994 -15.134 1.215 1.00 0.00 C ATOM 917 CG PRO A 58 2.083 -14.056 1.689 1.00 0.00 C ATOM 918 CD PRO A 58 2.780 -13.388 2.842 1.00 0.00 C ATOM 0 HA PRO A 58 5.128 -15.391 1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.849 -15.335 0.154 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.809 -16.068 1.745 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.879 -13.341 0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.123 -14.468 2.001 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.597 -12.314 2.850 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.432 -13.778 3.799 1.00 0.00 H new ATOM 926 N ILE A 59 4.876 -12.585 0.234 1.00 0.00 N ATOM 927 CA ILE A 59 5.321 -11.804 -0.910 1.00 0.00 C ATOM 928 C ILE A 59 6.844 -11.718 -0.954 1.00 0.00 C ATOM 929 O ILE A 59 7.440 -11.775 -2.028 1.00 0.00 O ATOM 930 CB ILE A 59 4.718 -10.381 -0.896 1.00 0.00 C ATOM 931 CG1 ILE A 59 3.190 -10.457 -0.897 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.212 -9.574 -2.092 1.00 0.00 C ATOM 933 CD1 ILE A 59 2.514 -9.105 -0.860 1.00 0.00 C ATOM 0 H ILE A 59 4.494 -12.030 1.000 1.00 0.00 H new ATOM 0 HA ILE A 59 4.969 -12.318 -1.804 1.00 0.00 H new ATOM 0 HB ILE A 59 5.044 -9.876 0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.862 -10.993 -1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.864 -11.040 -0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.775 -8.576 -2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.299 -9.496 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.916 -10.073 -3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.432 -9.239 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.812 -8.574 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.810 -8.526 -1.735 1.00 0.00 H new ATOM 945 N TRP A 60 7.469 -11.615 0.219 1.00 0.00 N ATOM 946 CA TRP A 60 8.929 -11.521 0.313 1.00 0.00 C ATOM 947 C TRP A 60 9.609 -12.733 -0.317 1.00 0.00 C ATOM 948 O TRP A 60 10.729 -12.641 -0.822 1.00 0.00 O ATOM 949 CB TRP A 60 9.374 -11.397 1.774 1.00 0.00 C ATOM 950 CG TRP A 60 8.982 -10.103 2.420 1.00 0.00 C ATOM 951 CD1 TRP A 60 8.091 -9.934 3.437 1.00 0.00 C ATOM 952 CD2 TRP A 60 9.473 -8.798 2.094 1.00 0.00 C ATOM 953 NE1 TRP A 60 7.992 -8.602 3.763 1.00 0.00 N ATOM 954 CE2 TRP A 60 8.831 -7.886 2.951 1.00 0.00 C ATOM 955 CE3 TRP A 60 10.391 -8.314 1.158 1.00 0.00 C ATOM 956 CZ2 TRP A 60 9.081 -6.514 2.899 1.00 0.00 C ATOM 957 CZ3 TRP A 60 10.638 -6.956 1.107 1.00 0.00 C ATOM 958 CH2 TRP A 60 9.985 -6.070 1.973 1.00 0.00 C ATOM 0 H TRP A 60 6.988 -11.594 1.118 1.00 0.00 H new ATOM 0 HA TRP A 60 9.228 -10.627 -0.235 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.946 -12.221 2.345 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.458 -11.503 1.824 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.542 -10.731 3.917 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.392 -8.211 4.490 1.00 0.00 H new ATOM 0 HE3 TRP A 60 10.899 -8.990 0.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 8.579 -5.828 3.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.346 -6.571 0.388 1.00 0.00 H new ATOM 0 HH2 TRP A 60 10.200 -5.014 1.908 1.00 0.00 H new ATOM 969 N GLU A 61 8.929 -13.869 -0.285 1.00 0.00 N ATOM 970 CA GLU A 61 9.465 -15.093 -0.828 1.00 0.00 C ATOM 971 C GLU A 61 9.465 -15.080 -2.350 1.00 0.00 C ATOM 972 O GLU A 61 10.310 -15.715 -2.981 1.00 0.00 O ATOM 973 CB GLU A 61 8.645 -16.268 -0.329 1.00 0.00 C ATOM 974 CG GLU A 61 8.771 -16.510 1.163 1.00 0.00 C ATOM 975 CD GLU A 61 8.191 -17.844 1.575 1.00 0.00 C ATOM 976 OE1 GLU A 61 6.971 -17.921 1.823 1.00 0.00 O ATOM 977 OE2 GLU A 61 8.954 -18.826 1.648 1.00 0.00 O ATOM 0 H GLU A 61 7.996 -13.961 0.117 1.00 0.00 H new ATOM 0 HA GLU A 61 10.498 -15.187 -0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.596 -16.098 -0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.954 -17.168 -0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.822 -16.469 1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.262 -15.712 1.703 1.00 0.00 H new ATOM 984 N GLN A 62 8.525 -14.352 -2.934 1.00 0.00 N ATOM 985 CA GLN A 62 8.343 -14.358 -4.375 1.00 0.00 C ATOM 986 C GLN A 62 8.852 -13.074 -5.024 1.00 0.00 C ATOM 987 O GLN A 62 9.602 -13.120 -6.000 1.00 0.00 O ATOM 988 CB GLN A 62 6.863 -14.555 -4.705 1.00 0.00 C ATOM 989 CG GLN A 62 6.296 -15.867 -4.186 1.00 0.00 C ATOM 990 CD GLN A 62 7.011 -17.086 -4.745 1.00 0.00 C ATOM 991 OE1 GLN A 62 7.491 -16.991 -5.978 1.00 0.00 O flip ATOM 992 NE2 GLN A 62 7.122 -18.112 -4.073 1.00 0.00 N flip ATOM 0 H GLN A 62 7.876 -13.749 -2.429 1.00 0.00 H new ATOM 0 HA GLN A 62 8.929 -15.183 -4.779 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.291 -13.729 -4.282 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.731 -14.514 -5.786 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.363 -15.880 -3.098 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.238 -15.925 -4.441 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.740 -18.147 -3.128 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.596 -18.927 -4.461 1.00 0.00 H new ATOM 1001 N LYS A 63 8.445 -11.933 -4.486 1.00 0.00 N ATOM 1002 CA LYS A 63 8.748 -10.647 -5.103 1.00 0.00 C ATOM 1003 C LYS A 63 9.209 -9.629 -4.059 1.00 0.00 C ATOM 1004 O LYS A 63 8.431 -8.781 -3.628 1.00 0.00 O ATOM 1005 CB LYS A 63 7.513 -10.108 -5.837 1.00 0.00 C ATOM 1006 CG LYS A 63 6.970 -11.033 -6.916 1.00 0.00 C ATOM 1007 CD LYS A 63 5.670 -10.501 -7.504 1.00 0.00 C ATOM 1008 CE LYS A 63 5.139 -11.414 -8.596 1.00 0.00 C ATOM 1009 NZ LYS A 63 3.836 -10.942 -9.137 1.00 0.00 N ATOM 0 H LYS A 63 7.904 -11.870 -3.624 1.00 0.00 H new ATOM 0 HA LYS A 63 9.557 -10.801 -5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.725 -9.919 -5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.764 -9.149 -6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.710 -11.144 -7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.802 -12.025 -6.496 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.925 -10.405 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.835 -9.503 -7.911 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.867 -11.472 -9.405 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.022 -12.423 -8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.528 -11.575 -9.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.124 -10.943 -8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.944 -9.977 -9.509 1.00 0.00 H new ATOM 1023 N PRO A 64 10.477 -9.704 -3.630 1.00 0.00 N ATOM 1024 CA PRO A 64 11.033 -8.768 -2.646 1.00 0.00 C ATOM 1025 C PRO A 64 11.099 -7.340 -3.182 1.00 0.00 C ATOM 1026 O PRO A 64 10.801 -6.382 -2.466 1.00 0.00 O ATOM 1027 CB PRO A 64 12.446 -9.307 -2.379 1.00 0.00 C ATOM 1028 CG PRO A 64 12.438 -10.704 -2.904 1.00 0.00 C ATOM 1029 CD PRO A 64 11.466 -10.706 -4.047 1.00 0.00 C ATOM 0 HA PRO A 64 10.415 -8.711 -1.750 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.200 -8.702 -2.882 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.680 -9.288 -1.315 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.432 -11.003 -3.236 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.134 -11.410 -2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.946 -10.435 -4.987 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.013 -11.687 -4.192 1.00 0.00 H new ATOM 1037 N GLU A 65 11.490 -7.204 -4.444 1.00 0.00 N ATOM 1038 CA GLU A 65 11.537 -5.903 -5.101 1.00 0.00 C ATOM 1039 C GLU A 65 10.137 -5.302 -5.206 1.00 0.00 C ATOM 1040 O GLU A 65 9.940 -4.106 -4.991 1.00 0.00 O ATOM 1041 CB GLU A 65 12.161 -6.044 -6.490 1.00 0.00 C ATOM 1042 CG GLU A 65 12.300 -4.734 -7.245 1.00 0.00 C ATOM 1043 CD GLU A 65 12.919 -4.917 -8.618 1.00 0.00 C ATOM 1044 OE1 GLU A 65 12.189 -5.290 -9.562 1.00 0.00 O ATOM 1045 OE2 GLU A 65 14.140 -4.690 -8.759 1.00 0.00 O ATOM 0 H GLU A 65 11.780 -7.983 -5.035 1.00 0.00 H new ATOM 0 HA GLU A 65 12.152 -5.231 -4.502 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.146 -6.499 -6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.553 -6.729 -7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.318 -4.274 -7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.913 -4.046 -6.663 1.00 0.00 H new ATOM 1052 N THR A 66 9.168 -6.146 -5.524 1.00 0.00 N ATOM 1053 CA THR A 66 7.793 -5.706 -5.682 1.00 0.00 C ATOM 1054 C THR A 66 7.176 -5.357 -4.328 1.00 0.00 C ATOM 1055 O THR A 66 6.350 -4.451 -4.227 1.00 0.00 O ATOM 1056 CB THR A 66 6.957 -6.791 -6.383 1.00 0.00 C ATOM 1057 OG1 THR A 66 7.678 -7.269 -7.526 1.00 0.00 O ATOM 1058 CG2 THR A 66 5.602 -6.249 -6.823 1.00 0.00 C ATOM 0 H THR A 66 9.311 -7.144 -5.678 1.00 0.00 H new ATOM 0 HA THR A 66 7.793 -4.809 -6.302 1.00 0.00 H new ATOM 0 HB THR A 66 6.781 -7.604 -5.678 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.057 -7.706 -8.145 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.036 -7.040 -7.315 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.051 -5.896 -5.951 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.749 -5.422 -7.518 1.00 0.00 H new ATOM 1066 N ALA A 67 7.602 -6.067 -3.291 1.00 0.00 N ATOM 1067 CA ALA A 67 7.083 -5.852 -1.944 1.00 0.00 C ATOM 1068 C ALA A 67 7.381 -4.441 -1.442 1.00 0.00 C ATOM 1069 O ALA A 67 6.542 -3.821 -0.791 1.00 0.00 O ATOM 1070 CB ALA A 67 7.649 -6.880 -0.980 1.00 0.00 C ATOM 0 H ALA A 67 8.308 -6.800 -3.356 1.00 0.00 H new ATOM 0 HA ALA A 67 6.000 -5.969 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.249 -6.702 0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.369 -7.881 -1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.736 -6.797 -0.956 1.00 0.00 H new ATOM 1076 N SER A 68 8.571 -3.932 -1.734 1.00 0.00 N ATOM 1077 CA SER A 68 8.923 -2.578 -1.337 1.00 0.00 C ATOM 1078 C SER A 68 8.152 -1.552 -2.164 1.00 0.00 C ATOM 1079 O SER A 68 7.762 -0.498 -1.660 1.00 0.00 O ATOM 1080 CB SER A 68 10.433 -2.369 -1.458 1.00 0.00 C ATOM 1081 OG SER A 68 10.947 -2.988 -2.627 1.00 0.00 O ATOM 0 H SER A 68 9.302 -4.432 -2.240 1.00 0.00 H new ATOM 0 HA SER A 68 8.642 -2.435 -0.293 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.654 -1.302 -1.482 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.931 -2.778 -0.579 1.00 0.00 H new ATOM 0 HG SER A 68 10.228 -3.093 -3.285 1.00 0.00 H new ATOM 1087 N ARG A 69 7.911 -1.881 -3.429 1.00 0.00 N ATOM 1088 CA ARG A 69 7.139 -1.027 -4.315 1.00 0.00 C ATOM 1089 C ARG A 69 5.678 -0.980 -3.876 1.00 0.00 C ATOM 1090 O ARG A 69 4.992 0.032 -4.041 1.00 0.00 O ATOM 1091 CB ARG A 69 7.239 -1.540 -5.752 1.00 0.00 C ATOM 1092 CG ARG A 69 8.593 -1.313 -6.398 1.00 0.00 C ATOM 1093 CD ARG A 69 8.615 -1.816 -7.832 1.00 0.00 C ATOM 1094 NE ARG A 69 9.877 -1.507 -8.499 1.00 0.00 N ATOM 1095 CZ ARG A 69 10.516 -2.346 -9.313 1.00 0.00 C ATOM 1096 NH1 ARG A 69 9.997 -3.538 -9.583 1.00 0.00 N ATOM 1097 NH2 ARG A 69 11.670 -1.987 -9.863 1.00 0.00 N ATOM 0 H ARG A 69 8.244 -2.742 -3.863 1.00 0.00 H new ATOM 0 HA ARG A 69 7.547 -0.017 -4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.018 -2.607 -5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.474 -1.051 -6.355 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.833 -0.250 -6.380 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.364 -1.823 -5.820 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.454 -2.894 -7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.792 -1.366 -8.387 1.00 0.00 H new ATOM 0 HE ARG A 69 10.295 -0.592 -8.331 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.107 -3.813 -9.167 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.488 -4.179 -10.207 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.067 -1.069 -9.662 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.160 -2.629 -10.486 1.00 0.00 H new ATOM 1111 N LEU A 70 5.203 -2.086 -3.327 1.00 0.00 N ATOM 1112 CA LEU A 70 3.847 -2.162 -2.809 1.00 0.00 C ATOM 1113 C LEU A 70 3.717 -1.317 -1.547 1.00 0.00 C ATOM 1114 O LEU A 70 2.749 -0.574 -1.386 1.00 0.00 O ATOM 1115 CB LEU A 70 3.471 -3.620 -2.518 1.00 0.00 C ATOM 1116 CG LEU A 70 2.027 -3.849 -2.061 1.00 0.00 C ATOM 1117 CD1 LEU A 70 1.047 -3.437 -3.150 1.00 0.00 C ATOM 1118 CD2 LEU A 70 1.822 -5.305 -1.671 1.00 0.00 C ATOM 0 H LEU A 70 5.740 -2.948 -3.228 1.00 0.00 H new ATOM 0 HA LEU A 70 3.162 -1.771 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.647 -4.209 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.142 -4.004 -1.750 1.00 0.00 H new ATOM 0 HG LEU A 70 1.837 -3.228 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.027 -3.608 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.181 -2.380 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.230 -4.028 -4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.792 -5.454 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.029 -5.944 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.498 -5.562 -0.856 1.00 0.00 H new ATOM 1130 N ARG A 71 4.717 -1.411 -0.673 1.00 0.00 N ATOM 1131 CA ARG A 71 4.711 -0.685 0.591 1.00 0.00 C ATOM 1132 C ARG A 71 4.669 0.818 0.370 1.00 0.00 C ATOM 1133 O ARG A 71 3.956 1.533 1.076 1.00 0.00 O ATOM 1134 CB ARG A 71 5.935 -1.054 1.427 1.00 0.00 C ATOM 1135 CG ARG A 71 5.821 -2.406 2.108 1.00 0.00 C ATOM 1136 CD ARG A 71 6.986 -2.656 3.051 1.00 0.00 C ATOM 1137 NE ARG A 71 8.242 -2.906 2.336 1.00 0.00 N ATOM 1138 CZ ARG A 71 9.380 -2.255 2.581 1.00 0.00 C ATOM 1139 NH1 ARG A 71 9.386 -1.210 3.403 1.00 0.00 N ATOM 1140 NH2 ARG A 71 10.509 -2.629 1.979 1.00 0.00 N ATOM 0 H ARG A 71 5.546 -1.987 -0.820 1.00 0.00 H new ATOM 0 HA ARG A 71 3.809 -0.974 1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.816 -1.053 0.786 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.091 -0.287 2.185 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.885 -2.457 2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.787 -3.192 1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.110 -1.794 3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.757 -3.511 3.688 1.00 0.00 H new ATOM 0 HE ARG A 71 8.245 -3.620 1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.520 -0.905 3.847 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.257 -0.713 3.590 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.504 -3.415 1.329 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.378 -2.129 2.168 1.00 0.00 H new ATOM 1154 N GLY A 72 5.432 1.293 -0.611 1.00 0.00 N ATOM 1155 CA GLY A 72 5.441 2.711 -0.923 1.00 0.00 C ATOM 1156 C GLY A 72 4.072 3.213 -1.340 1.00 0.00 C ATOM 1157 O GLY A 72 3.662 4.318 -0.974 1.00 0.00 O ATOM 0 H GLY A 72 6.043 0.722 -1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.782 3.271 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.156 2.901 -1.724 1.00 0.00 H new ATOM 1161 N ARG A 73 3.356 2.391 -2.094 1.00 0.00 N ATOM 1162 CA ARG A 73 2.024 2.743 -2.552 1.00 0.00 C ATOM 1163 C ARG A 73 1.030 2.729 -1.394 1.00 0.00 C ATOM 1164 O ARG A 73 0.209 3.637 -1.269 1.00 0.00 O ATOM 1165 CB ARG A 73 1.577 1.800 -3.673 1.00 0.00 C ATOM 1166 CG ARG A 73 2.321 2.039 -4.979 1.00 0.00 C ATOM 1167 CD ARG A 73 1.815 1.149 -6.104 1.00 0.00 C ATOM 1168 NE ARG A 73 2.373 -0.201 -6.044 1.00 0.00 N ATOM 1169 CZ ARG A 73 2.087 -1.163 -6.926 1.00 0.00 C ATOM 1170 NH1 ARG A 73 1.209 -0.935 -7.899 1.00 0.00 N ATOM 1171 NH2 ARG A 73 2.682 -2.347 -6.837 1.00 0.00 N ATOM 0 H ARG A 73 3.679 1.473 -2.401 1.00 0.00 H new ATOM 0 HA ARG A 73 2.054 3.757 -2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.731 0.768 -3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.507 1.925 -3.842 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.214 3.084 -5.269 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.385 1.858 -4.827 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.728 1.092 -6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.069 1.601 -7.063 1.00 0.00 H new ATOM 0 HE ARG A 73 3.018 -0.421 -5.285 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.754 -0.025 -7.972 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.991 -1.670 -8.572 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.359 -2.523 -6.094 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.462 -3.080 -7.511 1.00 0.00 H new ATOM 1185 N ILE A 74 1.127 1.715 -0.537 1.00 0.00 N ATOM 1186 CA ILE A 74 0.261 1.614 0.637 1.00 0.00 C ATOM 1187 C ILE A 74 0.467 2.815 1.562 1.00 0.00 C ATOM 1188 O ILE A 74 -0.497 3.440 2.016 1.00 0.00 O ATOM 1189 CB ILE A 74 0.520 0.308 1.427 1.00 0.00 C ATOM 1190 CG1 ILE A 74 0.265 -0.911 0.537 1.00 0.00 C ATOM 1191 CG2 ILE A 74 -0.354 0.247 2.676 1.00 0.00 C ATOM 1192 CD1 ILE A 74 0.586 -2.231 1.206 1.00 0.00 C ATOM 0 H ILE A 74 1.796 0.951 -0.633 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.768 1.602 0.278 1.00 0.00 H new ATOM 0 HB ILE A 74 1.564 0.300 1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.781 -0.914 0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.862 -0.819 -0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.155 -0.679 3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.128 1.097 3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.404 0.280 2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.381 -3.049 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.639 -2.250 1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.030 -2.346 2.098 1.00 0.00 H new ATOM 1204 N GLU A 75 1.732 3.136 1.822 1.00 0.00 N ATOM 1205 CA GLU A 75 2.099 4.284 2.646 1.00 0.00 C ATOM 1206 C GLU A 75 1.471 5.559 2.105 1.00 0.00 C ATOM 1207 O GLU A 75 0.860 6.325 2.852 1.00 0.00 O ATOM 1208 CB GLU A 75 3.620 4.433 2.660 1.00 0.00 C ATOM 1209 CG GLU A 75 4.112 5.630 3.453 1.00 0.00 C ATOM 1210 CD GLU A 75 5.578 5.921 3.213 1.00 0.00 C ATOM 1211 OE1 GLU A 75 5.907 6.517 2.167 1.00 0.00 O ATOM 1212 OE2 GLU A 75 6.409 5.567 4.071 1.00 0.00 O ATOM 0 H GLU A 75 2.530 2.608 1.468 1.00 0.00 H new ATOM 0 HA GLU A 75 1.731 4.118 3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.060 3.527 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.977 4.518 1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.522 6.507 3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.950 5.449 4.516 1.00 0.00 H new ATOM 1219 N SER A 76 1.603 5.755 0.802 1.00 0.00 N ATOM 1220 CA SER A 76 1.095 6.949 0.148 1.00 0.00 C ATOM 1221 C SER A 76 -0.416 7.073 0.323 1.00 0.00 C ATOM 1222 O SER A 76 -0.923 8.151 0.629 1.00 0.00 O ATOM 1223 CB SER A 76 1.455 6.927 -1.335 1.00 0.00 C ATOM 1224 OG SER A 76 2.859 6.824 -1.520 1.00 0.00 O ATOM 0 H SER A 76 2.062 5.096 0.173 1.00 0.00 H new ATOM 0 HA SER A 76 1.560 7.817 0.616 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.959 6.086 -1.820 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.088 7.834 -1.815 1.00 0.00 H new ATOM 0 HG SER A 76 3.136 5.890 -1.412 1.00 0.00 H new ATOM 1230 N VAL A 77 -1.129 5.965 0.146 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.580 5.964 0.283 1.00 0.00 C ATOM 1232 C VAL A 77 -2.991 6.224 1.734 1.00 0.00 C ATOM 1233 O VAL A 77 -3.859 7.055 2.001 1.00 0.00 O ATOM 1234 CB VAL A 77 -3.199 4.634 -0.198 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.706 4.628 0.013 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.865 4.390 -1.662 1.00 0.00 C ATOM 0 H VAL A 77 -0.726 5.059 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.959 6.768 -0.348 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.771 3.826 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.118 3.680 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.925 4.753 1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.155 5.447 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.309 3.448 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.263 5.205 -2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.783 4.342 -1.785 1.00 0.00 H new ATOM 1246 N LEU A 78 -2.349 5.523 2.665 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.663 5.666 4.086 1.00 0.00 C ATOM 1248 C LEU A 78 -2.399 7.086 4.578 1.00 0.00 C ATOM 1249 O LEU A 78 -3.210 7.653 5.309 1.00 0.00 O ATOM 1250 CB LEU A 78 -1.859 4.671 4.928 1.00 0.00 C ATOM 1251 CG LEU A 78 -2.210 3.201 4.719 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -1.355 2.325 5.618 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -3.690 2.957 4.985 1.00 0.00 C ATOM 0 H LEU A 78 -1.609 4.851 2.463 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.726 5.453 4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.800 4.809 4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.001 4.914 5.981 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.005 2.941 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.615 1.278 5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.302 2.478 5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.534 2.590 6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.918 1.903 4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.925 3.232 6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.287 3.562 4.302 1.00 0.00 H new ATOM 1265 N ASP A 79 -1.270 7.656 4.171 1.00 0.00 N ATOM 1266 CA ASP A 79 -0.902 9.007 4.588 1.00 0.00 C ATOM 1267 C ASP A 79 -1.867 10.030 3.991 1.00 0.00 C ATOM 1268 O ASP A 79 -2.299 10.965 4.666 1.00 0.00 O ATOM 1269 CB ASP A 79 0.537 9.327 4.171 1.00 0.00 C ATOM 1270 CG ASP A 79 1.005 10.670 4.690 1.00 0.00 C ATOM 1271 OD1 ASP A 79 1.423 10.744 5.867 1.00 0.00 O ATOM 1272 OD2 ASP A 79 0.961 11.657 3.929 1.00 0.00 O ATOM 0 H ASP A 79 -0.594 7.206 3.554 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.966 9.060 5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.201 8.546 4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.608 9.317 3.083 1.00 0.00 H new ATOM 1277 N TRP A 80 -2.218 9.820 2.725 1.00 0.00 N ATOM 1278 CA TRP A 80 -3.199 10.656 2.039 1.00 0.00 C ATOM 1279 C TRP A 80 -4.542 10.600 2.769 1.00 0.00 C ATOM 1280 O TRP A 80 -5.189 11.627 2.999 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.347 10.175 0.588 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.364 10.925 -0.222 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.188 12.116 -0.869 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -5.710 10.517 -0.490 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -5.345 12.472 -1.520 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -6.294 11.506 -1.303 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.479 9.406 -0.124 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -7.611 11.419 -1.748 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -7.783 9.324 -0.567 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.336 10.324 -1.373 1.00 0.00 C ATOM 0 H TRP A 80 -1.834 9.071 2.149 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.859 11.692 2.036 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.379 10.254 0.093 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.616 9.119 0.596 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.275 12.692 -0.869 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.477 13.318 -2.075 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.059 8.627 0.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.044 12.190 -2.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.387 8.473 -0.287 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.359 10.228 -1.706 1.00 0.00 H new ATOM 1301 N ALA A 81 -4.937 9.392 3.158 1.00 0.00 N ATOM 1302 CA ALA A 81 -6.163 9.181 3.916 1.00 0.00 C ATOM 1303 C ALA A 81 -6.078 9.849 5.285 1.00 0.00 C ATOM 1304 O ALA A 81 -7.086 10.281 5.837 1.00 0.00 O ATOM 1305 CB ALA A 81 -6.438 7.695 4.070 1.00 0.00 C ATOM 0 H ALA A 81 -4.419 8.537 2.958 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.987 9.636 3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.357 7.552 4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.546 7.241 3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.608 7.224 4.597 1.00 0.00 H new ATOM 1311 N THR A 82 -4.870 9.923 5.828 1.00 0.00 N ATOM 1312 CA THR A 82 -4.644 10.574 7.111 1.00 0.00 C ATOM 1313 C THR A 82 -4.961 12.068 7.013 1.00 0.00 C ATOM 1314 O THR A 82 -5.633 12.630 7.877 1.00 0.00 O ATOM 1315 CB THR A 82 -3.183 10.380 7.581 1.00 0.00 C ATOM 1316 OG1 THR A 82 -2.850 8.985 7.586 1.00 0.00 O ATOM 1317 CG2 THR A 82 -2.974 10.957 8.973 1.00 0.00 C ATOM 0 H THR A 82 -4.029 9.539 5.398 1.00 0.00 H new ATOM 0 HA THR A 82 -5.308 10.113 7.842 1.00 0.00 H new ATOM 0 HB THR A 82 -2.532 10.910 6.885 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.840 8.648 6.666 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.938 10.806 9.278 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.198 12.024 8.962 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.636 10.455 9.678 1.00 0.00 H new ATOM 1325 N VAL A 83 -4.491 12.696 5.940 1.00 0.00 N ATOM 1326 CA VAL A 83 -4.708 14.121 5.727 1.00 0.00 C ATOM 1327 C VAL A 83 -6.166 14.406 5.358 1.00 0.00 C ATOM 1328 O VAL A 83 -6.782 15.327 5.892 1.00 0.00 O ATOM 1329 CB VAL A 83 -3.776 14.668 4.622 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -3.989 16.159 4.422 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -2.318 14.366 4.950 1.00 0.00 C ATOM 0 H VAL A 83 -3.956 12.238 5.203 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.476 14.628 6.664 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.025 14.165 3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.322 16.520 3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.023 16.343 4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.775 16.685 5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.678 14.759 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.054 14.835 5.898 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.178 13.288 5.027 1.00 0.00 H new ATOM 1341 N ARG A 84 -6.711 13.600 4.453 1.00 0.00 N ATOM 1342 CA ARG A 84 -8.094 13.741 4.023 1.00 0.00 C ATOM 1343 C ARG A 84 -9.082 13.421 5.147 1.00 0.00 C ATOM 1344 O ARG A 84 -10.247 13.806 5.081 1.00 0.00 O ATOM 1345 CB ARG A 84 -8.350 12.828 2.830 1.00 0.00 C ATOM 1346 CG ARG A 84 -8.351 13.560 1.506 1.00 0.00 C ATOM 1347 CD ARG A 84 -7.041 14.284 1.237 1.00 0.00 C ATOM 1348 NE ARG A 84 -7.168 15.214 0.120 1.00 0.00 N ATOM 1349 CZ ARG A 84 -6.194 16.010 -0.309 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -4.976 15.939 0.215 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -6.435 16.876 -1.283 1.00 0.00 N ATOM 0 H ARG A 84 -6.209 12.836 4.001 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.251 14.782 3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.587 12.050 2.807 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.310 12.329 2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.541 12.849 0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.169 14.280 1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.733 14.826 2.131 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.259 13.556 1.020 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.065 15.256 -0.364 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.778 15.267 0.957 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.238 16.556 -0.124 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.365 16.929 -1.700 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.691 17.489 -1.616 1.00 0.00 H new ATOM 1365 N GLY A 85 -8.617 12.708 6.162 1.00 0.00 N ATOM 1366 CA GLY A 85 -9.464 12.412 7.300 1.00 0.00 C ATOM 1367 C GLY A 85 -10.291 11.159 7.103 1.00 0.00 C ATOM 1368 O GLY A 85 -11.413 11.060 7.600 1.00 0.00 O ATOM 0 H GLY A 85 -7.671 12.330 6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.844 12.297 8.189 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.129 13.256 7.482 1.00 0.00 H new ATOM 1372 N TYR A 86 -9.747 10.204 6.365 1.00 0.00 N ATOM 1373 CA TYR A 86 -10.413 8.925 6.178 1.00 0.00 C ATOM 1374 C TYR A 86 -9.954 7.944 7.244 1.00 0.00 C ATOM 1375 O TYR A 86 -10.693 7.040 7.631 1.00 0.00 O ATOM 1376 CB TYR A 86 -10.148 8.358 4.782 1.00 0.00 C ATOM 1377 CG TYR A 86 -10.752 9.184 3.669 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -12.110 9.485 3.660 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -9.966 9.668 2.632 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -12.667 10.243 2.649 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -10.516 10.429 1.618 1.00 0.00 C ATOM 1382 CZ TYR A 86 -11.865 10.714 1.631 1.00 0.00 C ATOM 1383 OH TYR A 86 -12.415 11.477 0.626 1.00 0.00 O ATOM 0 H TYR A 86 -8.850 10.290 5.888 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.487 9.082 6.273 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.072 8.286 4.627 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.546 7.345 4.729 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.740 9.120 4.458 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.909 9.447 2.618 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.724 10.465 2.656 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.892 10.799 0.818 1.00 0.00 H new ATOM 0 HH TYR A 86 -11.716 11.730 -0.012 1.00 0.00 H new ATOM 1393 N ARG A 87 -8.730 8.128 7.719 1.00 0.00 N ATOM 1394 CA ARG A 87 -8.233 7.344 8.837 1.00 0.00 C ATOM 1395 C ARG A 87 -7.505 8.237 9.830 1.00 0.00 C ATOM 1396 O ARG A 87 -7.269 9.421 9.562 1.00 0.00 O ATOM 1397 CB ARG A 87 -7.317 6.197 8.388 1.00 0.00 C ATOM 1398 CG ARG A 87 -6.030 6.637 7.720 1.00 0.00 C ATOM 1399 CD ARG A 87 -4.983 5.532 7.784 1.00 0.00 C ATOM 1400 NE ARG A 87 -4.369 5.432 9.115 1.00 0.00 N ATOM 1401 CZ ARG A 87 -4.645 4.480 10.015 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -5.516 3.520 9.742 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -4.031 4.485 11.188 1.00 0.00 N ATOM 0 H ARG A 87 -8.067 8.810 7.349 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.100 6.895 9.321 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.069 5.587 9.257 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.869 5.559 7.698 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.226 6.899 6.680 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.649 7.534 8.209 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.445 4.579 7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.209 5.723 7.041 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.682 6.140 9.372 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.986 3.500 8.837 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.717 2.801 10.437 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.350 5.213 11.404 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.239 3.761 11.876 1.00 0.00 H new ATOM 1417 N GLU A 88 -7.159 7.659 10.970 1.00 0.00 N ATOM 1418 CA GLU A 88 -6.511 8.390 12.047 1.00 0.00 C ATOM 1419 C GLU A 88 -5.050 8.709 11.719 1.00 0.00 C ATOM 1420 O GLU A 88 -4.513 8.262 10.702 1.00 0.00 O ATOM 1421 CB GLU A 88 -6.640 7.593 13.349 1.00 0.00 C ATOM 1422 CG GLU A 88 -8.095 7.363 13.743 1.00 0.00 C ATOM 1423 CD GLU A 88 -8.265 6.493 14.973 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -8.354 5.256 14.828 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -8.342 7.045 16.090 1.00 0.00 O ATOM 0 H GLU A 88 -7.319 6.673 11.174 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.011 9.350 12.171 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.140 6.631 13.235 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.128 8.125 14.151 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.570 8.327 13.923 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.620 6.901 12.907 1.00 0.00 H new ATOM 1432 N GLY A 89 -4.409 9.457 12.609 1.00 0.00 N ATOM 1433 CA GLY A 89 -3.127 10.079 12.317 1.00 0.00 C ATOM 1434 C GLY A 89 -1.925 9.156 12.377 1.00 0.00 C ATOM 1435 O GLY A 89 -0.816 9.599 12.675 1.00 0.00 O ATOM 0 H GLY A 89 -4.762 9.648 13.547 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.175 10.520 11.321 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.971 10.897 13.021 1.00 0.00 H new ATOM 1439 N ASP A 90 -2.127 7.884 12.124 1.00 0.00 N ATOM 1440 CA ASP A 90 -1.019 6.934 12.147 1.00 0.00 C ATOM 1441 C ASP A 90 -0.827 6.273 10.785 1.00 0.00 C ATOM 1442 O ASP A 90 -1.793 6.007 10.075 1.00 0.00 O ATOM 1443 CB ASP A 90 -1.242 5.867 13.218 1.00 0.00 C ATOM 1444 CG ASP A 90 -0.015 4.999 13.419 1.00 0.00 C ATOM 1445 OD1 ASP A 90 0.998 5.513 13.946 1.00 0.00 O ATOM 1446 OD2 ASP A 90 -0.055 3.807 13.059 1.00 0.00 O ATOM 0 H ASP A 90 -3.036 7.478 11.901 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.114 7.492 12.388 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.504 6.348 14.160 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.087 5.240 12.935 1.00 0.00 H new ATOM 1451 N ASN A 91 0.425 6.025 10.428 1.00 0.00 N ATOM 1452 CA ASN A 91 0.762 5.335 9.185 1.00 0.00 C ATOM 1453 C ASN A 91 1.608 4.103 9.494 1.00 0.00 C ATOM 1454 O ASN A 91 2.836 4.179 9.547 1.00 0.00 O ATOM 1455 CB ASN A 91 1.513 6.261 8.221 1.00 0.00 C ATOM 1456 CG ASN A 91 1.916 5.574 6.920 1.00 0.00 C ATOM 1457 OD1 ASN A 91 2.961 4.939 6.839 1.00 0.00 O ATOM 1458 ND2 ASN A 91 1.100 5.705 5.886 1.00 0.00 N ATOM 0 H ASN A 91 1.235 6.294 10.987 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.165 5.028 8.701 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.885 7.122 7.991 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.407 6.642 8.715 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.335 5.272 4.993 1.00 0.00 H new ATOM 0 HD22 ASN A 91 0.237 6.239 5.982 1.00 0.00 H new ATOM 1465 N PRO A 92 0.955 2.961 9.757 1.00 0.00 N ATOM 1466 CA PRO A 92 1.639 1.718 10.143 1.00 0.00 C ATOM 1467 C PRO A 92 2.372 1.043 8.981 1.00 0.00 C ATOM 1468 O PRO A 92 2.908 -0.055 9.131 1.00 0.00 O ATOM 1469 CB PRO A 92 0.494 0.833 10.632 1.00 0.00 C ATOM 1470 CG PRO A 92 -0.692 1.306 9.870 1.00 0.00 C ATOM 1471 CD PRO A 92 -0.510 2.789 9.711 1.00 0.00 C ATOM 0 HA PRO A 92 2.417 1.903 10.884 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.696 -0.221 10.439 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.343 0.937 11.706 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.756 0.813 8.900 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.615 1.080 10.403 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.927 3.146 8.769 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.005 3.342 10.509 1.00 0.00 H new ATOM 1479 N ALA A 93 2.393 1.701 7.828 1.00 0.00 N ATOM 1480 CA ALA A 93 3.052 1.158 6.648 1.00 0.00 C ATOM 1481 C ALA A 93 4.496 1.635 6.567 1.00 0.00 C ATOM 1482 O ALA A 93 5.336 1.009 5.918 1.00 0.00 O ATOM 1483 CB ALA A 93 2.297 1.552 5.387 1.00 0.00 C ATOM 0 H ALA A 93 1.960 2.613 7.686 1.00 0.00 H new ATOM 0 HA ALA A 93 3.052 0.071 6.731 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.804 1.138 4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.280 1.162 5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.266 2.639 5.306 1.00 0.00 H new ATOM 1489 N ARG A 94 4.780 2.751 7.225 1.00 0.00 N ATOM 1490 CA ARG A 94 6.117 3.317 7.224 1.00 0.00 C ATOM 1491 C ARG A 94 6.951 2.712 8.342 1.00 0.00 C ATOM 1492 O ARG A 94 6.547 2.686 9.506 1.00 0.00 O ATOM 1493 CB ARG A 94 6.061 4.837 7.356 1.00 0.00 C ATOM 1494 CG ARG A 94 7.422 5.514 7.325 1.00 0.00 C ATOM 1495 CD ARG A 94 7.288 7.029 7.232 1.00 0.00 C ATOM 1496 NE ARG A 94 6.652 7.447 5.981 1.00 0.00 N ATOM 1497 CZ ARG A 94 6.134 8.659 5.771 1.00 0.00 C ATOM 1498 NH1 ARG A 94 6.163 9.573 6.730 1.00 0.00 N ATOM 1499 NH2 ARG A 94 5.580 8.954 4.600 1.00 0.00 N ATOM 0 H ARG A 94 4.098 3.282 7.767 1.00 0.00 H new ATOM 0 HA ARG A 94 6.590 3.076 6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.449 5.239 6.548 1.00 0.00 H new ATOM 0 HB3 ARG A 94 5.562 5.092 8.291 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.981 5.251 8.223 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.994 5.145 6.474 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.703 7.394 8.076 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.275 7.486 7.307 1.00 0.00 H new ATOM 0 HE ARG A 94 6.602 6.768 5.221 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.582 9.352 7.633 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.766 10.498 6.565 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.550 8.254 3.859 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.185 9.881 4.442 1.00 0.00 H new ATOM 1513 N TRP A 95 8.119 2.237 7.974 1.00 0.00 N ATOM 1514 CA TRP A 95 9.006 1.562 8.903 1.00 0.00 C ATOM 1515 C TRP A 95 10.287 2.344 9.105 1.00 0.00 C ATOM 1516 O TRP A 95 11.003 2.635 8.148 1.00 0.00 O ATOM 1517 CB TRP A 95 9.344 0.164 8.396 1.00 0.00 C ATOM 1518 CG TRP A 95 8.487 -0.907 8.991 1.00 0.00 C ATOM 1519 CD1 TRP A 95 8.457 -1.282 10.302 1.00 0.00 C ATOM 1520 CD2 TRP A 95 7.556 -1.749 8.307 1.00 0.00 C ATOM 1521 NE1 TRP A 95 7.572 -2.315 10.476 1.00 0.00 N ATOM 1522 CE2 TRP A 95 7.001 -2.618 9.267 1.00 0.00 C ATOM 1523 CE3 TRP A 95 7.137 -1.853 6.978 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 6.050 -3.579 8.936 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 6.192 -2.807 6.652 1.00 0.00 C ATOM 1526 CH2 TRP A 95 5.659 -3.659 7.627 1.00 0.00 C ATOM 0 H TRP A 95 8.484 2.306 7.024 1.00 0.00 H new ATOM 0 HA TRP A 95 8.487 1.488 9.858 1.00 0.00 H new ATOM 0 HB2 TRP A 95 9.238 0.143 7.311 1.00 0.00 H new ATOM 0 HB3 TRP A 95 10.389 -0.052 8.618 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.044 -0.831 11.088 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.371 -2.782 11.360 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.544 -1.200 6.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.636 -4.238 9.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 5.859 -2.897 5.629 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.923 -4.395 7.340 1.00 0.00 H new ATOM 1537 N ARG A 96 10.567 2.689 10.354 1.00 0.00 N ATOM 1538 CA ARG A 96 11.834 3.303 10.708 1.00 0.00 C ATOM 1539 C ARG A 96 12.949 2.265 10.642 1.00 0.00 C ATOM 1540 O ARG A 96 14.117 2.598 10.446 1.00 0.00 O ATOM 1541 CB ARG A 96 11.768 3.889 12.120 1.00 0.00 C ATOM 1542 CG ARG A 96 11.570 2.832 13.193 1.00 0.00 C ATOM 1543 CD ARG A 96 11.947 3.338 14.572 1.00 0.00 C ATOM 1544 NE ARG A 96 11.972 2.249 15.545 1.00 0.00 N ATOM 1545 CZ ARG A 96 13.087 1.643 15.954 1.00 0.00 C ATOM 1546 NH1 ARG A 96 14.269 2.062 15.523 1.00 0.00 N ATOM 1547 NH2 ARG A 96 13.016 0.618 16.792 1.00 0.00 N ATOM 0 H ARG A 96 9.930 2.553 11.139 1.00 0.00 H new ATOM 0 HA ARG A 96 12.040 4.106 10.000 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.688 4.437 12.323 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.951 4.608 12.171 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.528 2.512 13.198 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.172 1.955 12.952 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.926 3.816 14.532 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.234 4.098 14.891 1.00 0.00 H new ATOM 0 HE ARG A 96 11.084 1.933 15.935 1.00 0.00 H new ATOM 0 HH11 ARG A 96 14.327 2.849 14.877 1.00 0.00 H new ATOM 0 HH12 ARG A 96 15.121 1.597 15.837 1.00 0.00 H new ATOM 0 HH21 ARG A 96 12.108 0.293 17.124 1.00 0.00 H new ATOM 0 HH22 ARG A 96 13.869 0.155 17.105 1.00 0.00 H new ATOM 1561 N GLY A 97 12.571 1.003 10.810 1.00 0.00 N ATOM 1562 CA GLY A 97 13.540 -0.066 10.806 1.00 0.00 C ATOM 1563 C GLY A 97 12.913 -1.424 11.057 1.00 0.00 C ATOM 1564 O GLY A 97 12.790 -1.859 12.203 1.00 0.00 O ATOM 0 H GLY A 97 11.606 0.705 10.949 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.056 -0.080 9.846 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.293 0.129 11.569 1.00 0.00 H new ATOM 1568 N TYR A 98 12.491 -2.079 9.984 1.00 0.00 N ATOM 1569 CA TYR A 98 12.030 -3.458 10.055 1.00 0.00 C ATOM 1570 C TYR A 98 13.086 -4.362 9.434 1.00 0.00 C ATOM 1571 O TYR A 98 13.464 -5.391 9.993 1.00 0.00 O ATOM 1572 CB TYR A 98 10.699 -3.635 9.319 1.00 0.00 C ATOM 1573 CG TYR A 98 10.204 -5.066 9.296 1.00 0.00 C ATOM 1574 CD1 TYR A 98 9.909 -5.735 10.478 1.00 0.00 C ATOM 1575 CD2 TYR A 98 10.032 -5.748 8.096 1.00 0.00 C ATOM 1576 CE1 TYR A 98 9.459 -7.042 10.466 1.00 0.00 C ATOM 1577 CE2 TYR A 98 9.581 -7.055 8.077 1.00 0.00 C ATOM 1578 CZ TYR A 98 9.297 -7.698 9.264 1.00 0.00 C ATOM 1579 OH TYR A 98 8.852 -9.004 9.249 1.00 0.00 O ATOM 0 H TYR A 98 12.459 -1.674 9.048 1.00 0.00 H new ATOM 0 HA TYR A 98 11.873 -3.723 11.100 1.00 0.00 H new ATOM 0 HB2 TYR A 98 9.945 -3.006 9.793 1.00 0.00 H new ATOM 0 HB3 TYR A 98 10.810 -3.281 8.294 1.00 0.00 H new ATOM 0 HD1 TYR A 98 10.033 -5.225 11.422 1.00 0.00 H new ATOM 0 HD2 TYR A 98 10.254 -5.249 7.164 1.00 0.00 H new ATOM 0 HE1 TYR A 98 9.235 -7.547 11.394 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.452 -7.570 7.137 1.00 0.00 H new ATOM 0 HH TYR A 98 8.791 -9.318 8.323 1.00 0.00 H new ATOM 1589 N LEU A 99 13.564 -3.943 8.270 1.00 0.00 N ATOM 1590 CA LEU A 99 14.614 -4.651 7.552 1.00 0.00 C ATOM 1591 C LEU A 99 15.948 -3.960 7.774 1.00 0.00 C ATOM 1592 O LEU A 99 16.908 -4.172 7.031 1.00 0.00 O ATOM 1593 CB LEU A 99 14.300 -4.677 6.061 1.00 0.00 C ATOM 1594 CG LEU A 99 13.025 -5.424 5.671 1.00 0.00 C ATOM 1595 CD1 LEU A 99 12.773 -5.294 4.180 1.00 0.00 C ATOM 1596 CD2 LEU A 99 13.117 -6.889 6.067 1.00 0.00 C ATOM 0 H LEU A 99 13.234 -3.102 7.797 1.00 0.00 H new ATOM 0 HA LEU A 99 14.668 -5.673 7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 99 14.222 -3.649 5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 99 15.141 -5.132 5.538 1.00 0.00 H new ATOM 0 HG LEU A 99 12.188 -4.977 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.862 -5.831 3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 99 12.662 -4.241 3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 99 13.614 -5.716 3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.199 -7.402 5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.964 -7.351 5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 99 13.254 -6.966 7.146 1.00 0.00 H new ATOM 1608 N GLU A 100 15.983 -3.139 8.809 1.00 0.00 N ATOM 1609 CA GLU A 100 17.139 -2.309 9.118 1.00 0.00 C ATOM 1610 C GLU A 100 18.399 -3.149 9.301 1.00 0.00 C ATOM 1611 O GLU A 100 18.459 -4.037 10.153 1.00 0.00 O ATOM 1612 CB GLU A 100 16.877 -1.471 10.374 1.00 0.00 C ATOM 1613 CG GLU A 100 18.006 -0.509 10.712 1.00 0.00 C ATOM 1614 CD GLU A 100 17.671 0.408 11.872 1.00 0.00 C ATOM 1615 OE1 GLU A 100 17.808 -0.022 13.039 1.00 0.00 O ATOM 1616 OE2 GLU A 100 17.292 1.572 11.625 1.00 0.00 O ATOM 0 H GLU A 100 15.208 -3.027 9.463 1.00 0.00 H new ATOM 0 HA GLU A 100 17.300 -1.641 8.272 1.00 0.00 H new ATOM 0 HB2 GLU A 100 15.957 -0.904 10.236 1.00 0.00 H new ATOM 0 HB3 GLU A 100 16.716 -2.140 11.219 1.00 0.00 H new ATOM 0 HG2 GLU A 100 18.903 -1.079 10.953 1.00 0.00 H new ATOM 0 HG3 GLU A 100 18.238 0.094 9.834 1.00 0.00 H new ATOM 1623 N HIS A 101 19.390 -2.863 8.475 1.00 0.00 N ATOM 1624 CA HIS A 101 20.685 -3.519 8.545 1.00 0.00 C ATOM 1625 C HIS A 101 21.716 -2.619 7.885 1.00 0.00 C ATOM 1626 O HIS A 101 21.426 -1.982 6.872 1.00 0.00 O ATOM 1627 CB HIS A 101 20.650 -4.898 7.862 1.00 0.00 C ATOM 1628 CG HIS A 101 20.449 -4.859 6.371 1.00 0.00 C ATOM 1629 ND1 HIS A 101 19.209 -4.744 5.777 1.00 0.00 N ATOM 1630 CD2 HIS A 101 21.342 -4.928 5.353 1.00 0.00 C ATOM 1631 CE1 HIS A 101 19.349 -4.746 4.465 1.00 0.00 C ATOM 1632 NE2 HIS A 101 20.631 -4.852 4.181 1.00 0.00 N ATOM 0 H HIS A 101 19.319 -2.166 7.733 1.00 0.00 H new ATOM 0 HA HIS A 101 20.950 -3.686 9.589 1.00 0.00 H new ATOM 0 HB2 HIS A 101 21.584 -5.417 8.075 1.00 0.00 H new ATOM 0 HB3 HIS A 101 19.849 -5.488 8.307 1.00 0.00 H new ATOM 0 HD1 HIS A 101 18.322 -4.669 6.275 1.00 0.00 H new ATOM 0 HD2 HIS A 101 22.414 -5.025 5.447 1.00 0.00 H new ATOM 0 HE1 HIS A 101 18.547 -4.673 3.745 1.00 0.00 H new ATOM 1641 N HIS A 102 22.904 -2.550 8.445 1.00 0.00 N ATOM 1642 CA HIS A 102 23.897 -1.630 7.931 1.00 0.00 C ATOM 1643 C HIS A 102 24.660 -2.243 6.768 1.00 0.00 C ATOM 1644 O HIS A 102 25.176 -3.357 6.859 1.00 0.00 O ATOM 1645 CB HIS A 102 24.853 -1.183 9.032 1.00 0.00 C ATOM 1646 CG HIS A 102 25.209 0.262 8.922 1.00 0.00 C ATOM 1647 ND1 HIS A 102 24.331 1.269 9.243 1.00 0.00 N ATOM 1648 CD2 HIS A 102 26.336 0.873 8.497 1.00 0.00 C ATOM 1649 CE1 HIS A 102 24.899 2.435 9.020 1.00 0.00 C ATOM 1650 NE2 HIS A 102 26.117 2.225 8.567 1.00 0.00 N ATOM 0 H HIS A 102 23.204 -3.110 9.243 1.00 0.00 H new ATOM 0 HA HIS A 102 23.373 -0.748 7.562 1.00 0.00 H new ATOM 0 HB2 HIS A 102 24.396 -1.369 10.004 1.00 0.00 H new ATOM 0 HB3 HIS A 102 25.762 -1.783 8.987 1.00 0.00 H new ATOM 0 HD2 HIS A 102 27.241 0.387 8.164 1.00 0.00 H new ATOM 0 HE1 HIS A 102 24.443 3.401 9.181 1.00 0.00 H new ATOM 0 HE2 HIS A 102 26.788 2.949 8.310 1.00 0.00 H new ATOM 1659 N HIS A 103 24.707 -1.507 5.669 1.00 0.00 N ATOM 1660 CA HIS A 103 25.385 -1.955 4.464 1.00 0.00 C ATOM 1661 C HIS A 103 26.672 -1.164 4.259 1.00 0.00 C ATOM 1662 O HIS A 103 26.690 0.059 4.399 1.00 0.00 O ATOM 1663 CB HIS A 103 24.454 -1.797 3.255 1.00 0.00 C ATOM 1664 CG HIS A 103 25.087 -2.128 1.935 1.00 0.00 C ATOM 1665 ND1 HIS A 103 25.247 -3.415 1.475 1.00 0.00 N ATOM 1666 CD2 HIS A 103 25.599 -1.323 0.974 1.00 0.00 C ATOM 1667 CE1 HIS A 103 25.827 -3.389 0.290 1.00 0.00 C ATOM 1668 NE2 HIS A 103 26.051 -2.131 -0.040 1.00 0.00 N ATOM 0 H HIS A 103 24.278 -0.585 5.588 1.00 0.00 H new ATOM 0 HA HIS A 103 25.645 -3.008 4.570 1.00 0.00 H new ATOM 0 HB2 HIS A 103 23.583 -2.437 3.397 1.00 0.00 H new ATOM 0 HB3 HIS A 103 24.092 -0.769 3.223 1.00 0.00 H new ATOM 0 HD2 HIS A 103 25.644 -0.244 1.000 1.00 0.00 H new ATOM 0 HE1 HIS A 103 26.076 -4.252 -0.309 1.00 0.00 H new ATOM 0 HE2 HIS A 103 26.488 -1.812 -0.905 1.00 0.00 H new ATOM 1677 N HIS A 104 27.744 -1.873 3.949 1.00 0.00 N ATOM 1678 CA HIS A 104 29.031 -1.254 3.674 1.00 0.00 C ATOM 1679 C HIS A 104 29.850 -2.116 2.730 1.00 0.00 C ATOM 1680 O HIS A 104 29.818 -3.344 2.811 1.00 0.00 O ATOM 1681 CB HIS A 104 29.827 -1.030 4.965 1.00 0.00 C ATOM 1682 CG HIS A 104 29.627 0.319 5.586 1.00 0.00 C ATOM 1683 ND1 HIS A 104 29.341 0.505 6.922 1.00 0.00 N ATOM 1684 CD2 HIS A 104 29.696 1.558 5.045 1.00 0.00 C ATOM 1685 CE1 HIS A 104 29.241 1.797 7.172 1.00 0.00 C ATOM 1686 NE2 HIS A 104 29.453 2.454 6.051 1.00 0.00 N ATOM 0 H HIS A 104 27.748 -2.891 3.881 1.00 0.00 H new ATOM 0 HA HIS A 104 28.833 -0.289 3.208 1.00 0.00 H new ATOM 0 HB2 HIS A 104 29.546 -1.795 5.689 1.00 0.00 H new ATOM 0 HB3 HIS A 104 30.887 -1.166 4.752 1.00 0.00 H new ATOM 0 HD2 HIS A 104 29.904 1.795 4.012 1.00 0.00 H new ATOM 0 HE1 HIS A 104 29.022 2.240 8.132 1.00 0.00 H new ATOM 0 HE2 HIS A 104 29.439 3.469 5.948 1.00 0.00 H new ATOM 1695 N HIS A 105 30.571 -1.471 1.833 1.00 0.00 N ATOM 1696 CA HIS A 105 31.522 -2.165 0.982 1.00 0.00 C ATOM 1697 C HIS A 105 32.832 -1.389 0.968 1.00 0.00 C ATOM 1698 O HIS A 105 32.888 -0.254 0.493 1.00 0.00 O ATOM 1699 CB HIS A 105 30.972 -2.386 -0.443 1.00 0.00 C ATOM 1700 CG HIS A 105 30.747 -1.142 -1.258 1.00 0.00 C ATOM 1701 ND1 HIS A 105 31.524 -0.811 -2.348 1.00 0.00 N ATOM 1702 CD2 HIS A 105 29.808 -0.173 -1.164 1.00 0.00 C ATOM 1703 CE1 HIS A 105 31.071 0.305 -2.886 1.00 0.00 C ATOM 1704 NE2 HIS A 105 30.028 0.715 -2.188 1.00 0.00 N ATOM 0 H HIS A 105 30.517 -0.465 1.674 1.00 0.00 H new ATOM 0 HA HIS A 105 31.700 -3.160 1.391 1.00 0.00 H new ATOM 0 HB2 HIS A 105 31.665 -3.031 -0.983 1.00 0.00 H new ATOM 0 HB3 HIS A 105 30.027 -2.924 -0.368 1.00 0.00 H new ATOM 0 HD2 HIS A 105 29.028 -0.109 -0.420 1.00 0.00 H new ATOM 0 HE1 HIS A 105 31.484 0.800 -3.752 1.00 0.00 H new ATOM 0 HE2 HIS A 105 29.477 1.552 -2.378 1.00 0.00 H new ATOM 1713 N HIS A 106 33.866 -2.008 1.531 1.00 0.00 N ATOM 1714 CA HIS A 106 35.160 -1.356 1.741 1.00 0.00 C ATOM 1715 C HIS A 106 34.999 -0.209 2.730 1.00 0.00 C ATOM 1716 O HIS A 106 35.130 0.961 2.321 1.00 0.00 O ATOM 1717 CB HIS A 106 35.763 -0.838 0.427 1.00 0.00 C ATOM 1718 CG HIS A 106 36.043 -1.903 -0.587 1.00 0.00 C ATOM 1719 ND1 HIS A 106 36.305 -1.622 -1.907 1.00 0.00 N ATOM 1720 CD2 HIS A 106 36.111 -3.250 -0.469 1.00 0.00 C ATOM 1721 CE1 HIS A 106 36.519 -2.746 -2.561 1.00 0.00 C ATOM 1722 NE2 HIS A 106 36.408 -3.748 -1.712 1.00 0.00 N ATOM 1723 OXT HIS A 106 34.696 -0.484 3.911 1.00 0.00 O ATOM 0 H HIS A 106 33.833 -2.975 1.855 1.00 0.00 H new ATOM 0 HA HIS A 106 35.848 -2.099 2.144 1.00 0.00 H new ATOM 0 HB2 HIS A 106 35.080 -0.109 -0.009 1.00 0.00 H new ATOM 0 HB3 HIS A 106 36.692 -0.312 0.650 1.00 0.00 H new ATOM 0 HD2 HIS A 106 35.960 -3.824 0.433 1.00 0.00 H new ATOM 0 HE1 HIS A 106 36.747 -2.831 -3.613 1.00 0.00 H new ATOM 0 HE2 HIS A 106 36.524 -4.735 -1.942 1.00 0.00 H new TER 1732 HIS A 106