USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 778 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 72 HIS : no HE2:sc= -0.676 K(o=-0.36,f=-6!) USER MOD Set 1.2: B 116 THR OG1 : rot 52:sc= 0.321 USER MOD Set 2.1: A 46 SER OG : rot -23:sc= -0.449 USER MOD Set 2.2: A 48 SER OG : rot -70:sc= 0.606 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -171:sc= 0.704 (180deg=0.656) USER MOD Single : A 16 SER OG : rot 43:sc= 0.0527 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot -60:sc= -7.52! USER MOD Single : A 26 SER OG : rot -71:sc= -1.37! USER MOD Single : A 28 SER OG : rot -155:sc= 0.0157 USER MOD Single : A 29 SER OG : rot -150:sc= -0.382 USER MOD Single : A 33 GLN : amide:sc=-0.00142 X(o=-0.0014,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -170:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.0412 X(o=-0.041,f=-0.2) USER MOD Single : A 43 LYS NZ :NH3+ -118:sc= -0.366 (180deg=-1.57!) USER MOD Single : A 58 GLN : amide:sc= -0.644 K(o=-0.64,f=-5.8!) USER MOD Single : A 63 ASN : amide:sc= 0.373 K(o=0.37,f=-6.2!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 80 LYS NZ :NH3+ 179:sc= -0.415 (180deg=-0.417) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.385 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 THR OG1 : rot -37:sc= 0.0286 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 9 -6.418 -3.149 -13.970 1.00 0.00 N ATOM 2 CA LYS A 9 -5.118 -3.091 -14.687 1.00 0.00 C ATOM 3 C LYS A 9 -4.093 -2.278 -13.904 1.00 0.00 C ATOM 4 O LYS A 9 -4.431 -1.600 -12.936 1.00 0.00 O ATOM 5 CB LYS A 9 -5.348 -2.470 -16.065 1.00 0.00 C ATOM 6 CG LYS A 9 -4.374 -2.957 -17.124 1.00 0.00 C ATOM 7 CD LYS A 9 -5.078 -3.259 -18.437 1.00 0.00 C ATOM 8 CE LYS A 9 -4.097 -3.313 -19.597 1.00 0.00 C ATOM 9 NZ LYS A 9 -3.746 -1.954 -20.092 1.00 0.00 N ATOM 0 HA LYS A 9 -4.722 -4.101 -14.793 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.365 -2.693 -16.389 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.270 -1.386 -15.983 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.606 -2.201 -17.288 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.867 -3.854 -16.768 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.603 -4.211 -18.359 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.831 -2.495 -18.631 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.190 -3.830 -19.282 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.529 -3.895 -20.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.075 -2.035 -20.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.607 -1.470 -20.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.310 -1.406 -19.323 1.00 0.00 H new ATOM 25 N GLU A 10 -2.837 -2.351 -14.332 1.00 0.00 N ATOM 26 CA GLU A 10 -1.760 -1.620 -13.673 1.00 0.00 C ATOM 27 C GLU A 10 -2.022 -0.119 -13.704 1.00 0.00 C ATOM 28 O GLU A 10 -2.214 0.465 -14.771 1.00 0.00 O ATOM 29 CB GLU A 10 -0.419 -1.931 -14.342 1.00 0.00 C ATOM 30 CG GLU A 10 -0.222 -3.404 -14.663 1.00 0.00 C ATOM 31 CD GLU A 10 -0.451 -3.716 -16.129 1.00 0.00 C ATOM 32 OE1 GLU A 10 0.336 -3.232 -16.968 1.00 0.00 O ATOM 33 OE2 GLU A 10 -1.416 -4.447 -16.437 1.00 0.00 O ATOM 0 H GLU A 10 -2.540 -2.909 -15.132 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.721 -1.941 -12.632 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.340 -1.354 -15.263 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.388 -1.600 -13.689 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.790 -3.701 -14.386 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.906 -3.999 -14.057 1.00 0.00 H new ATOM 40 N LYS A 11 -2.032 0.502 -12.529 1.00 0.00 N ATOM 41 CA LYS A 11 -2.273 1.938 -12.428 1.00 0.00 C ATOM 42 C LYS A 11 -0.998 2.684 -12.038 1.00 0.00 C ATOM 43 O LYS A 11 -0.066 2.100 -11.484 1.00 0.00 O ATOM 44 CB LYS A 11 -3.381 2.221 -11.406 1.00 0.00 C ATOM 45 CG LYS A 11 -3.610 3.701 -11.141 1.00 0.00 C ATOM 46 CD LYS A 11 -4.934 3.943 -10.437 1.00 0.00 C ATOM 47 CE LYS A 11 -4.943 3.337 -9.041 1.00 0.00 C ATOM 48 NZ LYS A 11 -6.257 2.718 -8.712 1.00 0.00 N ATOM 0 H LYS A 11 -1.877 0.035 -11.635 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.591 2.295 -13.407 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.311 1.777 -11.761 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.130 1.728 -10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.796 4.093 -10.531 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.593 4.247 -12.084 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.121 5.015 -10.371 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.744 3.514 -11.026 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.158 2.584 -8.967 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.712 4.110 -8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.221 2.317 -7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.003 3.442 -8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.466 1.963 -9.396 1.00 0.00 H new ATOM 62 N LYS A 12 -0.967 3.979 -12.333 1.00 0.00 N ATOM 63 CA LYS A 12 0.189 4.809 -12.013 1.00 0.00 C ATOM 64 C LYS A 12 -0.213 5.967 -11.108 1.00 0.00 C ATOM 65 O LYS A 12 -1.279 6.561 -11.280 1.00 0.00 O ATOM 66 CB LYS A 12 0.830 5.343 -13.296 1.00 0.00 C ATOM 67 CG LYS A 12 2.350 5.373 -13.250 1.00 0.00 C ATOM 68 CD LYS A 12 2.932 5.993 -14.509 1.00 0.00 C ATOM 69 CE LYS A 12 4.386 6.396 -14.312 1.00 0.00 C ATOM 70 NZ LYS A 12 4.685 7.718 -14.931 1.00 0.00 N ATOM 0 H LYS A 12 -1.729 4.477 -12.793 1.00 0.00 H new ATOM 0 HA LYS A 12 0.916 4.193 -11.484 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.512 4.725 -14.136 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.460 6.351 -13.485 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.678 5.940 -12.379 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.732 4.359 -13.132 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.859 5.283 -15.333 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.346 6.868 -14.789 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.611 6.435 -13.246 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.035 5.636 -14.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.711 7.887 -14.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.354 7.723 -15.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.199 8.468 -14.399 1.00 0.00 H new ATOM 84 N VAL A 13 0.640 6.283 -10.140 1.00 0.00 N ATOM 85 CA VAL A 13 0.365 7.369 -9.207 1.00 0.00 C ATOM 86 C VAL A 13 1.647 8.091 -8.806 1.00 0.00 C ATOM 87 O VAL A 13 2.708 7.479 -8.688 1.00 0.00 O ATOM 88 CB VAL A 13 -0.344 6.851 -7.941 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.666 7.997 -6.993 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.608 6.091 -8.311 1.00 0.00 C ATOM 0 H VAL A 13 1.526 5.803 -9.981 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.292 8.071 -9.721 1.00 0.00 H new ATOM 0 HB VAL A 13 0.332 6.167 -7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.166 7.606 -6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.257 8.496 -6.698 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.320 8.711 -7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.096 5.733 -7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.286 6.753 -8.850 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.350 5.242 -8.944 1.00 0.00 H new ATOM 100 N PHE A 14 1.539 9.400 -8.595 1.00 0.00 N ATOM 101 CA PHE A 14 2.685 10.212 -8.204 1.00 0.00 C ATOM 102 C PHE A 14 2.403 10.947 -6.898 1.00 0.00 C ATOM 103 O PHE A 14 1.376 11.611 -6.757 1.00 0.00 O ATOM 104 CB PHE A 14 3.030 11.219 -9.304 1.00 0.00 C ATOM 105 CG PHE A 14 2.819 10.693 -10.697 1.00 0.00 C ATOM 106 CD1 PHE A 14 3.301 9.447 -11.060 1.00 0.00 C ATOM 107 CD2 PHE A 14 2.139 11.447 -11.640 1.00 0.00 C ATOM 108 CE1 PHE A 14 3.110 8.961 -12.340 1.00 0.00 C ATOM 109 CE2 PHE A 14 1.944 10.966 -12.921 1.00 0.00 C ATOM 110 CZ PHE A 14 2.429 9.722 -13.271 1.00 0.00 C ATOM 0 H PHE A 14 0.667 9.921 -8.689 1.00 0.00 H new ATOM 0 HA PHE A 14 3.536 9.547 -8.055 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.423 12.114 -9.168 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.072 11.521 -9.194 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.832 8.848 -10.335 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.757 12.421 -11.371 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.492 7.988 -12.612 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.413 11.563 -13.647 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.276 9.344 -14.271 1.00 0.00 H new ATOM 120 N ILE A 15 3.321 10.827 -5.944 1.00 0.00 N ATOM 121 CA ILE A 15 3.166 11.483 -4.652 1.00 0.00 C ATOM 122 C ILE A 15 4.309 12.460 -4.389 1.00 0.00 C ATOM 123 O ILE A 15 5.481 12.091 -4.451 1.00 0.00 O ATOM 124 CB ILE A 15 3.106 10.457 -3.503 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.069 9.376 -3.812 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.783 11.150 -2.188 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.672 9.921 -4.019 1.00 0.00 C ATOM 0 H ILE A 15 4.178 10.283 -6.042 1.00 0.00 H new ATOM 0 HA ILE A 15 2.225 12.032 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 15 4.082 9.982 -3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.376 8.835 -4.707 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.052 8.656 -2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.744 10.411 -1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.555 11.886 -1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.818 11.650 -2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.011 9.099 -4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.345 10.437 -3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.674 10.619 -4.856 1.00 0.00 H new ATOM 139 N SER A 16 3.955 13.707 -4.094 1.00 0.00 N ATOM 140 CA SER A 16 4.949 14.739 -3.820 1.00 0.00 C ATOM 141 C SER A 16 4.616 15.484 -2.531 1.00 0.00 C ATOM 142 O SER A 16 3.529 16.045 -2.389 1.00 0.00 O ATOM 143 CB SER A 16 5.025 15.726 -4.987 1.00 0.00 C ATOM 144 OG SER A 16 3.731 16.122 -5.407 1.00 0.00 O ATOM 0 H SER A 16 2.988 14.027 -4.039 1.00 0.00 H new ATOM 0 HA SER A 16 5.918 14.254 -3.700 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.598 16.604 -4.688 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.557 15.267 -5.821 1.00 0.00 H new ATOM 0 HG SER A 16 3.172 16.298 -4.622 1.00 0.00 H new ATOM 150 N LEU A 17 5.558 15.485 -1.593 1.00 0.00 N ATOM 151 CA LEU A 17 5.364 16.161 -0.316 1.00 0.00 C ATOM 152 C LEU A 17 5.108 17.652 -0.520 1.00 0.00 C ATOM 153 O LEU A 17 4.888 18.105 -1.642 1.00 0.00 O ATOM 154 CB LEU A 17 6.586 15.954 0.585 1.00 0.00 C ATOM 155 CG LEU A 17 6.297 15.258 1.918 1.00 0.00 C ATOM 156 CD1 LEU A 17 6.663 13.784 1.840 1.00 0.00 C ATOM 157 CD2 LEU A 17 7.052 15.937 3.050 1.00 0.00 C ATOM 0 H LEU A 17 6.463 15.025 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 17 4.489 15.727 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.326 15.368 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.036 16.925 0.790 1.00 0.00 H new ATOM 0 HG LEU A 17 5.229 15.337 2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.451 13.305 2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.077 13.304 1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.724 13.684 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.834 15.428 3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.123 15.891 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.741 16.979 3.121 1.00 0.00 H new ATOM 169 N VAL A 18 5.140 18.408 0.573 1.00 0.00 N ATOM 170 CA VAL A 18 4.912 19.847 0.515 1.00 0.00 C ATOM 171 C VAL A 18 3.491 20.160 0.059 1.00 0.00 C ATOM 172 O VAL A 18 2.982 19.549 -0.882 1.00 0.00 O ATOM 173 CB VAL A 18 5.908 20.536 -0.436 1.00 0.00 C ATOM 174 CG1 VAL A 18 5.789 22.049 -0.328 1.00 0.00 C ATOM 175 CG2 VAL A 18 7.330 20.083 -0.140 1.00 0.00 C ATOM 0 H VAL A 18 5.322 18.048 1.510 1.00 0.00 H new ATOM 0 HA VAL A 18 5.060 20.232 1.524 1.00 0.00 H new ATOM 0 HB VAL A 18 5.665 20.247 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.500 22.519 -1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.777 22.354 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.004 22.359 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.020 20.580 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.587 20.340 0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.403 19.004 -0.273 1.00 0.00 H new ATOM 185 N GLY A 19 2.855 21.113 0.731 1.00 0.00 N ATOM 186 CA GLY A 19 1.498 21.490 0.382 1.00 0.00 C ATOM 187 C GLY A 19 0.517 21.232 1.509 1.00 0.00 C ATOM 188 O GLY A 19 -0.390 22.029 1.746 1.00 0.00 O ATOM 0 H GLY A 19 3.256 21.632 1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.474 22.547 0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.186 20.934 -0.502 1.00 0.00 H new ATOM 192 N SER A 20 0.701 20.113 2.205 1.00 0.00 N ATOM 193 CA SER A 20 -0.174 19.750 3.314 1.00 0.00 C ATOM 194 C SER A 20 0.527 18.780 4.260 1.00 0.00 C ATOM 195 O SER A 20 0.812 19.117 5.410 1.00 0.00 O ATOM 196 CB SER A 20 -1.466 19.123 2.788 1.00 0.00 C ATOM 197 OG SER A 20 -2.573 19.484 3.596 1.00 0.00 O ATOM 0 H SER A 20 1.448 19.443 2.020 1.00 0.00 H new ATOM 0 HA SER A 20 -0.419 20.658 3.866 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.640 19.447 1.762 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.365 18.038 2.767 1.00 0.00 H new ATOM 0 HG SER A 20 -3.387 19.072 3.238 1.00 0.00 H new ATOM 203 N ARG A 21 0.801 17.577 3.769 1.00 0.00 N ATOM 204 CA ARG A 21 1.470 16.559 4.569 1.00 0.00 C ATOM 205 C ARG A 21 2.125 15.509 3.675 1.00 0.00 C ATOM 206 O ARG A 21 2.165 15.659 2.453 1.00 0.00 O ATOM 207 CB ARG A 21 0.472 15.894 5.521 1.00 0.00 C ATOM 208 CG ARG A 21 -0.731 15.287 4.819 1.00 0.00 C ATOM 209 CD ARG A 21 -0.459 13.857 4.383 1.00 0.00 C ATOM 210 NE ARG A 21 0.094 13.048 5.466 1.00 0.00 N ATOM 211 CZ ARG A 21 -0.628 12.572 6.478 1.00 0.00 C ATOM 212 NH1 ARG A 21 -1.930 12.822 6.549 1.00 0.00 N ATOM 213 NH2 ARG A 21 -0.046 11.844 7.423 1.00 0.00 N ATOM 0 H ARG A 21 0.570 17.283 2.820 1.00 0.00 H new ATOM 0 HA ARG A 21 2.250 17.044 5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.985 15.114 6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.125 16.633 6.244 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.592 15.307 5.487 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.989 15.891 3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.385 13.404 4.029 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.235 13.861 3.543 1.00 0.00 H new ATOM 0 HE ARG A 21 1.091 12.835 5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.382 13.381 5.826 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.478 12.455 7.327 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.954 11.650 7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.599 11.479 8.199 1.00 0.00 H new ATOM 227 N GLY A 22 2.641 14.449 4.290 1.00 0.00 N ATOM 228 CA GLY A 22 3.293 13.391 3.538 1.00 0.00 C ATOM 229 C GLY A 22 2.480 12.924 2.343 1.00 0.00 C ATOM 230 O GLY A 22 2.789 13.269 1.203 1.00 0.00 O ATOM 0 H GLY A 22 2.619 14.303 5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.265 13.744 3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.477 12.544 4.199 1.00 0.00 H new ATOM 234 N LEU A 23 1.445 12.132 2.604 1.00 0.00 N ATOM 235 CA LEU A 23 0.594 11.612 1.543 1.00 0.00 C ATOM 236 C LEU A 23 -0.872 11.604 1.976 1.00 0.00 C ATOM 237 O LEU A 23 -1.758 11.975 1.207 1.00 0.00 O ATOM 238 CB LEU A 23 1.047 10.199 1.161 1.00 0.00 C ATOM 239 CG LEU A 23 0.005 9.339 0.442 1.00 0.00 C ATOM 240 CD1 LEU A 23 -0.257 9.875 -0.957 1.00 0.00 C ATOM 241 CD2 LEU A 23 0.465 7.890 0.382 1.00 0.00 C ATOM 0 H LEU A 23 1.176 11.837 3.543 1.00 0.00 H new ATOM 0 HA LEU A 23 0.684 12.263 0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.927 10.280 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.357 9.679 2.068 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.927 9.383 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.000 9.251 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.628 10.898 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.669 9.861 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.286 7.291 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.409 7.830 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.602 7.510 1.394 1.00 0.00 H new ATOM 253 N GLY A 24 -1.119 11.169 3.209 1.00 0.00 N ATOM 254 CA GLY A 24 -2.478 11.113 3.718 1.00 0.00 C ATOM 255 C GLY A 24 -3.102 9.742 3.549 1.00 0.00 C ATOM 256 O GLY A 24 -4.324 9.599 3.598 1.00 0.00 O ATOM 0 H GLY A 24 -0.403 10.855 3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.479 11.382 4.774 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.088 11.853 3.200 1.00 0.00 H new ATOM 260 N CYS A 25 -2.262 8.733 3.347 1.00 0.00 N ATOM 261 CA CYS A 25 -2.734 7.366 3.168 1.00 0.00 C ATOM 262 C CYS A 25 -1.830 6.387 3.909 1.00 0.00 C ATOM 263 O CYS A 25 -0.679 6.700 4.212 1.00 0.00 O ATOM 264 CB CYS A 25 -2.781 7.018 1.678 1.00 0.00 C ATOM 265 SG CYS A 25 -3.335 5.335 1.324 1.00 0.00 S ATOM 0 H CYS A 25 -1.248 8.837 3.303 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.739 7.288 3.582 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.445 7.720 1.174 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.787 7.158 1.253 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.528 4.485 1.886 1.00 0.00 H new ATOM 271 N SER A 26 -2.355 5.203 4.203 1.00 0.00 N ATOM 272 CA SER A 26 -1.588 4.186 4.914 1.00 0.00 C ATOM 273 C SER A 26 -1.341 2.972 4.025 1.00 0.00 C ATOM 274 O SER A 26 -1.864 2.889 2.914 1.00 0.00 O ATOM 275 CB SER A 26 -2.322 3.764 6.188 1.00 0.00 C ATOM 276 OG SER A 26 -1.483 3.882 7.325 1.00 0.00 O ATOM 0 H SER A 26 -3.306 4.924 3.961 1.00 0.00 H new ATOM 0 HA SER A 26 -0.623 4.615 5.186 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.209 4.383 6.322 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.664 2.734 6.090 1.00 0.00 H new ATOM 0 HG SER A 26 -0.794 3.186 7.297 1.00 0.00 H new ATOM 282 N ILE A 27 -0.539 2.036 4.519 1.00 0.00 N ATOM 283 CA ILE A 27 -0.222 0.826 3.769 1.00 0.00 C ATOM 284 C ILE A 27 -0.112 -0.375 4.700 1.00 0.00 C ATOM 285 O ILE A 27 0.209 -0.229 5.879 1.00 0.00 O ATOM 286 CB ILE A 27 1.095 0.979 2.983 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.191 1.545 3.885 1.00 0.00 C ATOM 288 CG2 ILE A 27 0.887 1.869 1.767 1.00 0.00 C ATOM 289 CD1 ILE A 27 3.576 1.462 3.280 1.00 0.00 C ATOM 0 H ILE A 27 -0.096 2.092 5.436 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.036 0.665 3.063 1.00 0.00 H new ATOM 0 HB ILE A 27 1.410 -0.005 2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.963 2.587 4.109 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.185 1.006 4.833 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.826 1.967 1.223 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.135 1.425 1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.551 2.854 2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.303 1.882 3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.824 0.419 3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.600 2.025 2.347 1.00 0.00 H new ATOM 301 N SER A 28 -0.384 -1.562 4.167 1.00 0.00 N ATOM 302 CA SER A 28 -0.319 -2.785 4.961 1.00 0.00 C ATOM 303 C SER A 28 0.380 -3.904 4.196 1.00 0.00 C ATOM 304 O SER A 28 0.483 -3.864 2.971 1.00 0.00 O ATOM 305 CB SER A 28 -1.727 -3.230 5.362 1.00 0.00 C ATOM 306 OG SER A 28 -2.534 -3.456 4.219 1.00 0.00 O ATOM 0 H SER A 28 -0.651 -1.703 3.193 1.00 0.00 H new ATOM 0 HA SER A 28 0.261 -2.571 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.668 -4.142 5.956 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.187 -2.468 5.992 1.00 0.00 H new ATOM 0 HG SER A 28 -3.478 -3.352 4.460 1.00 0.00 H new ATOM 312 N SER A 29 0.855 -4.905 4.933 1.00 0.00 N ATOM 313 CA SER A 29 1.539 -6.042 4.332 1.00 0.00 C ATOM 314 C SER A 29 0.641 -7.274 4.334 1.00 0.00 C ATOM 315 O SER A 29 -0.269 -7.388 5.157 1.00 0.00 O ATOM 316 CB SER A 29 2.838 -6.341 5.084 1.00 0.00 C ATOM 317 OG SER A 29 3.917 -5.585 4.561 1.00 0.00 O ATOM 0 H SER A 29 0.777 -4.950 5.949 1.00 0.00 H new ATOM 0 HA SER A 29 1.778 -5.788 3.299 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.710 -6.113 6.142 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.067 -7.404 5.012 1.00 0.00 H new ATOM 0 HG SER A 29 4.753 -6.083 4.680 1.00 0.00 H new ATOM 323 N GLY A 30 0.895 -8.193 3.409 1.00 0.00 N ATOM 324 CA GLY A 30 0.092 -9.398 3.325 1.00 0.00 C ATOM 325 C GLY A 30 0.809 -10.623 3.860 1.00 0.00 C ATOM 326 O GLY A 30 1.834 -10.501 4.533 1.00 0.00 O ATOM 0 H GLY A 30 1.641 -8.125 2.717 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.833 -9.252 3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.187 -9.571 2.286 1.00 0.00 H new ATOM 330 N PRO A 31 0.287 -11.827 3.575 1.00 0.00 N ATOM 331 CA PRO A 31 0.889 -13.082 4.038 1.00 0.00 C ATOM 332 C PRO A 31 2.203 -13.392 3.327 1.00 0.00 C ATOM 333 O PRO A 31 2.802 -12.521 2.697 1.00 0.00 O ATOM 334 CB PRO A 31 -0.170 -14.130 3.691 1.00 0.00 C ATOM 335 CG PRO A 31 -0.921 -13.544 2.547 1.00 0.00 C ATOM 336 CD PRO A 31 -0.933 -12.060 2.779 1.00 0.00 C ATOM 0 HA PRO A 31 1.143 -13.048 5.098 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.288 -15.081 3.418 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.827 -14.324 4.538 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.441 -13.787 1.599 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.935 -13.940 2.502 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.912 -11.507 1.840 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.828 -11.745 3.315 1.00 0.00 H new ATOM 344 N ILE A 32 2.647 -14.640 3.436 1.00 0.00 N ATOM 345 CA ILE A 32 3.891 -15.069 2.808 1.00 0.00 C ATOM 346 C ILE A 32 3.646 -15.590 1.395 1.00 0.00 C ATOM 347 O ILE A 32 4.549 -15.588 0.559 1.00 0.00 O ATOM 348 CB ILE A 32 4.589 -16.169 3.633 1.00 0.00 C ATOM 349 CG1 ILE A 32 4.656 -15.767 5.109 1.00 0.00 C ATOM 350 CG2 ILE A 32 5.981 -16.438 3.085 1.00 0.00 C ATOM 351 CD1 ILE A 32 3.693 -16.533 5.988 1.00 0.00 C ATOM 0 H ILE A 32 2.163 -15.373 3.954 1.00 0.00 H new ATOM 0 HA ILE A 32 4.538 -14.193 2.762 1.00 0.00 H new ATOM 0 HB ILE A 32 4.007 -17.087 3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.671 -15.923 5.474 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.446 -14.701 5.197 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.461 -17.217 3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.907 -16.765 2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.575 -15.525 3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.795 -16.196 7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.672 -16.357 5.649 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.916 -17.598 5.930 1.00 0.00 H new ATOM 363 N GLN A 33 2.423 -16.040 1.136 1.00 0.00 N ATOM 364 CA GLN A 33 2.064 -16.564 -0.176 1.00 0.00 C ATOM 365 C GLN A 33 1.931 -15.437 -1.196 1.00 0.00 C ATOM 366 O GLN A 33 2.165 -15.635 -2.388 1.00 0.00 O ATOM 367 CB GLN A 33 0.755 -17.351 -0.092 1.00 0.00 C ATOM 368 CG GLN A 33 0.903 -18.710 0.571 1.00 0.00 C ATOM 369 CD GLN A 33 -0.235 -19.023 1.520 1.00 0.00 C ATOM 370 OE1 GLN A 33 -1.401 -19.050 1.123 1.00 0.00 O ATOM 371 NE2 GLN A 33 0.096 -19.261 2.783 1.00 0.00 N ATOM 0 H GLN A 33 1.664 -16.052 1.817 1.00 0.00 H new ATOM 0 HA GLN A 33 2.861 -17.232 -0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.023 -16.764 0.462 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.358 -17.488 -1.098 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.953 -19.481 -0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.846 -18.743 1.117 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.075 -19.228 3.069 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.628 -19.477 3.468 1.00 0.00 H new ATOM 380 N LYS A 34 1.552 -14.256 -0.720 1.00 0.00 N ATOM 381 CA LYS A 34 1.387 -13.098 -1.591 1.00 0.00 C ATOM 382 C LYS A 34 1.751 -11.806 -0.856 1.00 0.00 C ATOM 383 O LYS A 34 0.906 -10.934 -0.653 1.00 0.00 O ATOM 384 CB LYS A 34 -0.053 -13.030 -2.110 1.00 0.00 C ATOM 385 CG LYS A 34 -0.152 -13.036 -3.627 1.00 0.00 C ATOM 386 CD LYS A 34 -1.388 -13.785 -4.100 1.00 0.00 C ATOM 387 CE LYS A 34 -2.083 -13.052 -5.236 1.00 0.00 C ATOM 388 NZ LYS A 34 -3.042 -13.932 -5.963 1.00 0.00 N ATOM 0 H LYS A 34 1.353 -14.075 0.264 1.00 0.00 H new ATOM 0 HA LYS A 34 2.063 -13.207 -2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.614 -13.877 -1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.527 -12.126 -1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.183 -12.010 -3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.740 -13.499 -4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.105 -14.785 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.081 -13.908 -3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.614 -12.187 -4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.336 -12.674 -5.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.494 -13.394 -6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.532 -14.744 -6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.770 -14.272 -5.303 1.00 0.00 H new ATOM 402 N PRO A 35 3.023 -11.670 -0.444 1.00 0.00 N ATOM 403 CA PRO A 35 3.497 -10.481 0.271 1.00 0.00 C ATOM 404 C PRO A 35 3.633 -9.270 -0.645 1.00 0.00 C ATOM 405 O PRO A 35 4.065 -9.391 -1.791 1.00 0.00 O ATOM 406 CB PRO A 35 4.867 -10.911 0.797 1.00 0.00 C ATOM 407 CG PRO A 35 5.333 -11.943 -0.170 1.00 0.00 C ATOM 408 CD PRO A 35 4.098 -12.663 -0.642 1.00 0.00 C ATOM 0 HA PRO A 35 2.803 -10.169 1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.557 -10.068 0.841 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.795 -11.317 1.806 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.859 -11.483 -1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.030 -12.634 0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.182 -12.961 -1.687 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.917 -13.570 -0.066 1.00 0.00 H new ATOM 416 N GLY A 36 3.263 -8.102 -0.131 1.00 0.00 N ATOM 417 CA GLY A 36 3.351 -6.886 -0.917 1.00 0.00 C ATOM 418 C GLY A 36 2.829 -5.673 -0.172 1.00 0.00 C ATOM 419 O GLY A 36 2.148 -5.805 0.846 1.00 0.00 O ATOM 0 H GLY A 36 2.904 -7.976 0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.390 -6.715 -1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.785 -7.012 -1.840 1.00 0.00 H new ATOM 423 N ILE A 37 3.149 -4.487 -0.680 1.00 0.00 N ATOM 424 CA ILE A 37 2.710 -3.244 -0.056 1.00 0.00 C ATOM 425 C ILE A 37 1.318 -2.852 -0.538 1.00 0.00 C ATOM 426 O ILE A 37 1.134 -2.474 -1.694 1.00 0.00 O ATOM 427 CB ILE A 37 3.688 -2.090 -0.352 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.135 -2.571 -0.231 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.430 -0.924 0.593 1.00 0.00 C ATOM 430 CD1 ILE A 37 5.490 -3.083 1.148 1.00 0.00 C ATOM 0 H ILE A 37 3.711 -4.361 -1.522 1.00 0.00 H new ATOM 0 HA ILE A 37 2.684 -3.420 1.019 1.00 0.00 H new ATOM 0 HB ILE A 37 3.525 -1.749 -1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.308 -3.363 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.805 -1.750 -0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.128 -0.116 0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.408 -0.568 0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.569 -1.253 1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.531 -3.407 1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.350 -2.287 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.845 -3.925 1.401 1.00 0.00 H new ATOM 442 N PHE A 38 0.339 -2.946 0.356 1.00 0.00 N ATOM 443 CA PHE A 38 -1.038 -2.603 0.017 1.00 0.00 C ATOM 444 C PHE A 38 -1.397 -1.215 0.528 1.00 0.00 C ATOM 445 O PHE A 38 -0.626 -0.594 1.261 1.00 0.00 O ATOM 446 CB PHE A 38 -2.009 -3.639 0.593 1.00 0.00 C ATOM 447 CG PHE A 38 -1.473 -5.044 0.587 1.00 0.00 C ATOM 448 CD1 PHE A 38 -0.629 -5.478 -0.424 1.00 0.00 C ATOM 449 CD2 PHE A 38 -1.816 -5.931 1.595 1.00 0.00 C ATOM 450 CE1 PHE A 38 -0.136 -6.767 -0.428 1.00 0.00 C ATOM 451 CE2 PHE A 38 -1.324 -7.222 1.597 1.00 0.00 C ATOM 452 CZ PHE A 38 -0.483 -7.641 0.584 1.00 0.00 C ATOM 0 H PHE A 38 0.473 -3.256 1.318 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.123 -2.604 -1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.258 -3.360 1.617 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.936 -3.612 0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.354 -4.799 -1.218 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.475 -5.610 2.388 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.520 -7.092 -1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.597 -7.903 2.390 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.098 -8.650 0.583 1.00 0.00 H new ATOM 462 N ILE A 39 -2.569 -0.732 0.134 1.00 0.00 N ATOM 463 CA ILE A 39 -3.030 0.585 0.543 1.00 0.00 C ATOM 464 C ILE A 39 -4.163 0.485 1.562 1.00 0.00 C ATOM 465 O ILE A 39 -5.080 -0.324 1.417 1.00 0.00 O ATOM 466 CB ILE A 39 -3.500 1.413 -0.674 1.00 0.00 C ATOM 467 CG1 ILE A 39 -2.299 1.815 -1.532 1.00 0.00 C ATOM 468 CG2 ILE A 39 -4.275 2.648 -0.230 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.395 2.834 -0.871 1.00 0.00 C ATOM 0 H ILE A 39 -3.218 -1.236 -0.470 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.184 1.090 1.009 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.169 0.794 -1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.717 0.924 -1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.658 2.220 -2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.594 3.212 -1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.151 2.342 0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.636 3.275 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.566 3.071 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.962 3.741 -0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.006 2.425 0.061 1.00 0.00 H new ATOM 481 N SER A 40 -4.089 1.325 2.586 1.00 0.00 N ATOM 482 CA SER A 40 -5.097 1.362 3.634 1.00 0.00 C ATOM 483 C SER A 40 -5.973 2.600 3.478 1.00 0.00 C ATOM 484 O SER A 40 -5.906 3.290 2.460 1.00 0.00 O ATOM 485 CB SER A 40 -4.434 1.357 5.013 1.00 0.00 C ATOM 486 OG SER A 40 -5.073 0.440 5.884 1.00 0.00 O ATOM 0 H SER A 40 -3.332 1.997 2.712 1.00 0.00 H new ATOM 0 HA SER A 40 -5.723 0.474 3.545 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.381 1.094 4.912 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.473 2.358 5.442 1.00 0.00 H new ATOM 0 HG SER A 40 -4.738 0.567 6.796 1.00 0.00 H new ATOM 492 N HIS A 41 -6.793 2.877 4.487 1.00 0.00 N ATOM 493 CA HIS A 41 -7.683 4.036 4.457 1.00 0.00 C ATOM 494 C HIS A 41 -6.947 5.283 3.964 1.00 0.00 C ATOM 495 O HIS A 41 -5.747 5.440 4.195 1.00 0.00 O ATOM 496 CB HIS A 41 -8.269 4.288 5.848 1.00 0.00 C ATOM 497 CG HIS A 41 -9.767 4.254 5.880 1.00 0.00 C ATOM 498 ND1 HIS A 41 -10.554 4.896 4.949 1.00 0.00 N ATOM 499 CD2 HIS A 41 -10.620 3.649 6.739 1.00 0.00 C ATOM 500 CE1 HIS A 41 -11.828 4.689 5.234 1.00 0.00 C ATOM 501 NE2 HIS A 41 -11.895 3.935 6.316 1.00 0.00 N ATOM 0 H HIS A 41 -6.861 2.316 5.336 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.494 3.822 3.761 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.882 3.539 6.538 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -7.928 5.259 6.207 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -10.349 3.052 7.597 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -12.671 5.071 4.677 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -12.754 3.617 6.765 1.00 0.00 H new ATOM 510 N VAL A 42 -7.675 6.161 3.281 1.00 0.00 N ATOM 511 CA VAL A 42 -7.093 7.391 2.752 1.00 0.00 C ATOM 512 C VAL A 42 -7.808 8.619 3.303 1.00 0.00 C ATOM 513 O VAL A 42 -8.956 8.539 3.742 1.00 0.00 O ATOM 514 CB VAL A 42 -7.156 7.422 1.212 1.00 0.00 C ATOM 515 CG1 VAL A 42 -6.423 8.638 0.671 1.00 0.00 C ATOM 516 CG2 VAL A 42 -6.583 6.140 0.626 1.00 0.00 C ATOM 0 H VAL A 42 -8.668 6.044 3.081 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.050 7.410 3.068 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.202 7.494 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.479 8.642 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.885 9.545 1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.379 8.601 0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.637 6.181 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.543 6.032 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.158 5.287 0.985 1.00 0.00 H new ATOM 526 N LYS A 43 -7.122 9.758 3.275 1.00 0.00 N ATOM 527 CA LYS A 43 -7.691 11.007 3.769 1.00 0.00 C ATOM 528 C LYS A 43 -8.277 11.828 2.621 1.00 0.00 C ATOM 529 O LYS A 43 -7.878 11.668 1.467 1.00 0.00 O ATOM 530 CB LYS A 43 -6.624 11.821 4.503 1.00 0.00 C ATOM 531 CG LYS A 43 -6.158 11.185 5.801 1.00 0.00 C ATOM 532 CD LYS A 43 -5.634 12.226 6.777 1.00 0.00 C ATOM 533 CE LYS A 43 -6.766 13.026 7.401 1.00 0.00 C ATOM 534 NZ LYS A 43 -6.958 14.338 6.727 1.00 0.00 N ATOM 0 H LYS A 43 -6.171 9.841 2.915 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.494 10.764 4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.765 11.955 3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.020 12.814 4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.985 10.641 6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.375 10.457 5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.060 11.734 7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.953 12.901 6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.690 12.451 7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.555 13.189 8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.788 15.106 7.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.289 14.423 5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.931 14.404 6.367 1.00 0.00 H new ATOM 548 N PRO A 44 -9.233 12.722 2.925 1.00 0.00 N ATOM 549 CA PRO A 44 -9.872 13.569 1.911 1.00 0.00 C ATOM 550 C PRO A 44 -8.885 14.524 1.249 1.00 0.00 C ATOM 551 O PRO A 44 -8.805 14.597 0.024 1.00 0.00 O ATOM 552 CB PRO A 44 -10.928 14.350 2.700 1.00 0.00 C ATOM 553 CG PRO A 44 -10.469 14.297 4.117 1.00 0.00 C ATOM 554 CD PRO A 44 -9.768 12.980 4.274 1.00 0.00 C ATOM 0 HA PRO A 44 -10.288 12.978 1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.003 15.379 2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.915 13.902 2.588 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.798 15.126 4.341 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.312 14.375 4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.974 13.032 5.019 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.453 12.194 4.593 1.00 0.00 H new ATOM 562 N GLY A 45 -8.128 15.248 2.067 1.00 0.00 N ATOM 563 CA GLY A 45 -7.153 16.181 1.537 1.00 0.00 C ATOM 564 C GLY A 45 -5.847 15.497 1.186 1.00 0.00 C ATOM 565 O GLY A 45 -5.829 14.547 0.404 1.00 0.00 O ATOM 0 H GLY A 45 -8.173 15.205 3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.559 16.665 0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.966 16.966 2.270 1.00 0.00 H new ATOM 569 N SER A 46 -4.754 15.973 1.770 1.00 0.00 N ATOM 570 CA SER A 46 -3.439 15.393 1.519 1.00 0.00 C ATOM 571 C SER A 46 -3.194 15.198 0.022 1.00 0.00 C ATOM 572 O SER A 46 -3.838 15.840 -0.809 1.00 0.00 O ATOM 573 CB SER A 46 -3.315 14.057 2.251 1.00 0.00 C ATOM 574 OG SER A 46 -3.985 13.026 1.546 1.00 0.00 O ATOM 0 H SER A 46 -4.751 16.759 2.420 1.00 0.00 H new ATOM 0 HA SER A 46 -2.684 16.084 1.894 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.262 13.798 2.367 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.733 14.148 3.254 1.00 0.00 H new ATOM 0 HG SER A 46 -4.672 13.418 0.967 1.00 0.00 H new ATOM 580 N LEU A 47 -2.260 14.311 -0.318 1.00 0.00 N ATOM 581 CA LEU A 47 -1.938 14.039 -1.714 1.00 0.00 C ATOM 582 C LEU A 47 -2.565 12.730 -2.182 1.00 0.00 C ATOM 583 O LEU A 47 -2.882 12.573 -3.361 1.00 0.00 O ATOM 584 CB LEU A 47 -0.422 13.987 -1.906 1.00 0.00 C ATOM 585 CG LEU A 47 0.327 15.250 -1.471 1.00 0.00 C ATOM 586 CD1 LEU A 47 1.545 14.886 -0.637 1.00 0.00 C ATOM 587 CD2 LEU A 47 0.736 16.073 -2.683 1.00 0.00 C ATOM 0 H LEU A 47 -1.715 13.771 0.354 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.350 14.849 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.029 13.138 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.210 13.801 -2.959 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.343 15.853 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.065 15.795 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.228 14.339 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.216 14.262 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.267 16.966 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.388 15.479 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.153 16.365 -3.242 1.00 0.00 H new ATOM 599 N SER A 48 -2.742 11.790 -1.256 1.00 0.00 N ATOM 600 CA SER A 48 -3.330 10.494 -1.588 1.00 0.00 C ATOM 601 C SER A 48 -4.663 10.667 -2.313 1.00 0.00 C ATOM 602 O SER A 48 -4.870 10.107 -3.389 1.00 0.00 O ATOM 603 CB SER A 48 -3.531 9.663 -0.320 1.00 0.00 C ATOM 604 OG SER A 48 -4.012 10.462 0.745 1.00 0.00 O ATOM 0 H SER A 48 -2.488 11.900 -0.274 1.00 0.00 H new ATOM 0 HA SER A 48 -2.642 9.972 -2.253 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.236 8.855 -0.519 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.587 9.199 -0.033 1.00 0.00 H new ATOM 0 HG SER A 48 -3.302 11.065 1.048 1.00 0.00 H new ATOM 610 N ALA A 49 -5.560 11.448 -1.721 1.00 0.00 N ATOM 611 CA ALA A 49 -6.864 11.695 -2.322 1.00 0.00 C ATOM 612 C ALA A 49 -6.715 12.392 -3.666 1.00 0.00 C ATOM 613 O ALA A 49 -7.484 12.148 -4.598 1.00 0.00 O ATOM 614 CB ALA A 49 -7.720 12.538 -1.393 1.00 0.00 C ATOM 0 H ALA A 49 -5.408 11.919 -0.829 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.353 10.734 -2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.692 12.715 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.857 12.013 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.226 13.492 -1.209 1.00 0.00 H new ATOM 620 N GLU A 50 -5.719 13.264 -3.757 1.00 0.00 N ATOM 621 CA GLU A 50 -5.457 14.008 -4.979 1.00 0.00 C ATOM 622 C GLU A 50 -5.171 13.064 -6.143 1.00 0.00 C ATOM 623 O GLU A 50 -5.644 13.277 -7.259 1.00 0.00 O ATOM 624 CB GLU A 50 -4.279 14.959 -4.770 1.00 0.00 C ATOM 625 CG GLU A 50 -4.695 16.384 -4.444 1.00 0.00 C ATOM 626 CD GLU A 50 -4.980 17.206 -5.688 1.00 0.00 C ATOM 627 OE1 GLU A 50 -4.196 17.110 -6.655 1.00 0.00 O ATOM 628 OE2 GLU A 50 -5.988 17.944 -5.692 1.00 0.00 O ATOM 0 H GLU A 50 -5.076 13.473 -2.993 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.346 14.589 -5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.655 14.578 -3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.665 14.966 -5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.584 16.364 -3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.906 16.866 -3.867 1.00 0.00 H new ATOM 635 N VAL A 51 -4.396 12.018 -5.873 1.00 0.00 N ATOM 636 CA VAL A 51 -4.049 11.041 -6.899 1.00 0.00 C ATOM 637 C VAL A 51 -5.169 10.026 -7.092 1.00 0.00 C ATOM 638 O VAL A 51 -5.348 9.483 -8.182 1.00 0.00 O ATOM 639 CB VAL A 51 -2.749 10.292 -6.548 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.555 11.231 -6.617 1.00 0.00 C ATOM 641 CG2 VAL A 51 -2.854 9.650 -5.172 1.00 0.00 C ATOM 0 H VAL A 51 -3.997 11.826 -4.954 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.900 11.596 -7.825 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.601 9.499 -7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.647 10.683 -6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.468 11.635 -7.625 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.693 12.048 -5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.926 9.126 -4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.029 10.422 -4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.682 8.941 -5.163 1.00 0.00 H new ATOM 651 N GLY A 52 -5.920 9.769 -6.025 1.00 0.00 N ATOM 652 CA GLY A 52 -7.015 8.818 -6.100 1.00 0.00 C ATOM 653 C GLY A 52 -6.642 7.463 -5.533 1.00 0.00 C ATOM 654 O GLY A 52 -6.652 6.461 -6.247 1.00 0.00 O ATOM 0 H GLY A 52 -5.790 10.202 -5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.873 9.213 -5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.322 8.702 -7.140 1.00 0.00 H new ATOM 658 N LEU A 53 -6.311 7.433 -4.246 1.00 0.00 N ATOM 659 CA LEU A 53 -5.931 6.191 -3.584 1.00 0.00 C ATOM 660 C LEU A 53 -7.101 5.620 -2.786 1.00 0.00 C ATOM 661 O LEU A 53 -8.001 6.351 -2.376 1.00 0.00 O ATOM 662 CB LEU A 53 -4.736 6.424 -2.660 1.00 0.00 C ATOM 663 CG LEU A 53 -3.367 6.333 -3.337 1.00 0.00 C ATOM 664 CD1 LEU A 53 -2.289 6.927 -2.445 1.00 0.00 C ATOM 665 CD2 LEU A 53 -3.040 4.887 -3.683 1.00 0.00 C ATOM 0 H LEU A 53 -6.298 8.254 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.651 5.471 -4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.835 7.410 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.774 5.694 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.401 6.909 -4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.323 6.853 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.516 7.975 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.254 6.380 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.063 4.840 -4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.025 4.289 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.798 4.495 -4.362 1.00 0.00 H new ATOM 677 N GLU A 54 -7.075 4.309 -2.569 1.00 0.00 N ATOM 678 CA GLU A 54 -8.132 3.639 -1.820 1.00 0.00 C ATOM 679 C GLU A 54 -7.678 2.258 -1.363 1.00 0.00 C ATOM 680 O GLU A 54 -6.739 1.686 -1.918 1.00 0.00 O ATOM 681 CB GLU A 54 -9.394 3.517 -2.675 1.00 0.00 C ATOM 682 CG GLU A 54 -10.682 3.576 -1.869 1.00 0.00 C ATOM 683 CD GLU A 54 -11.887 3.924 -2.722 1.00 0.00 C ATOM 684 OE1 GLU A 54 -11.695 4.505 -3.811 1.00 0.00 O ATOM 685 OE2 GLU A 54 -13.022 3.616 -2.301 1.00 0.00 O ATOM 0 H GLU A 54 -6.335 3.690 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.357 4.240 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.401 4.318 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.361 2.576 -3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.849 2.613 -1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.577 4.316 -1.076 1.00 0.00 H new ATOM 692 N ILE A 55 -8.350 1.723 -0.347 1.00 0.00 N ATOM 693 CA ILE A 55 -8.014 0.408 0.184 1.00 0.00 C ATOM 694 C ILE A 55 -8.064 -0.657 -0.910 1.00 0.00 C ATOM 695 O ILE A 55 -8.867 -0.568 -1.839 1.00 0.00 O ATOM 696 CB ILE A 55 -8.966 0.001 1.325 1.00 0.00 C ATOM 697 CG1 ILE A 55 -9.051 1.116 2.372 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.505 -1.302 1.964 1.00 0.00 C ATOM 699 CD1 ILE A 55 -10.420 1.755 2.463 1.00 0.00 C ATOM 0 H ILE A 55 -9.130 2.181 0.124 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.999 0.476 0.576 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.961 -0.156 0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.783 0.709 3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.315 1.884 2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.189 -1.575 2.768 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.495 -2.092 1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.501 -1.173 2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.407 2.536 3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.682 2.192 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.157 0.999 2.731 1.00 0.00 H new ATOM 711 N GLY A 56 -7.200 -1.659 -0.792 1.00 0.00 N ATOM 712 CA GLY A 56 -7.160 -2.724 -1.778 1.00 0.00 C ATOM 713 C GLY A 56 -6.027 -2.550 -2.770 1.00 0.00 C ATOM 714 O GLY A 56 -5.510 -3.528 -3.311 1.00 0.00 O ATOM 0 H GLY A 56 -6.527 -1.753 -0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.051 -3.682 -1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.108 -2.754 -2.315 1.00 0.00 H new ATOM 718 N ASP A 57 -5.640 -1.302 -3.008 1.00 0.00 N ATOM 719 CA ASP A 57 -4.557 -1.001 -3.940 1.00 0.00 C ATOM 720 C ASP A 57 -3.240 -1.593 -3.450 1.00 0.00 C ATOM 721 O ASP A 57 -2.997 -1.679 -2.247 1.00 0.00 O ATOM 722 CB ASP A 57 -4.421 0.512 -4.119 1.00 0.00 C ATOM 723 CG ASP A 57 -5.414 1.071 -5.121 1.00 0.00 C ATOM 724 OD1 ASP A 57 -6.305 0.314 -5.562 1.00 0.00 O ATOM 725 OD2 ASP A 57 -5.301 2.266 -5.465 1.00 0.00 O ATOM 0 H ASP A 57 -6.059 -0.482 -2.569 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.798 -1.452 -4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.566 1.003 -3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.408 0.746 -4.447 1.00 0.00 H new ATOM 730 N GLN A 58 -2.392 -2.004 -4.389 1.00 0.00 N ATOM 731 CA GLN A 58 -1.100 -2.592 -4.049 1.00 0.00 C ATOM 732 C GLN A 58 0.025 -1.965 -4.867 1.00 0.00 C ATOM 733 O GLN A 58 0.043 -2.066 -6.094 1.00 0.00 O ATOM 734 CB GLN A 58 -1.129 -4.103 -4.281 1.00 0.00 C ATOM 735 CG GLN A 58 0.071 -4.834 -3.700 1.00 0.00 C ATOM 736 CD GLN A 58 1.059 -5.273 -4.763 1.00 0.00 C ATOM 737 OE1 GLN A 58 1.218 -4.613 -5.791 1.00 0.00 O ATOM 738 NE2 GLN A 58 1.728 -6.395 -4.522 1.00 0.00 N ATOM 0 H GLN A 58 -2.576 -1.941 -5.390 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.909 -2.392 -2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.039 -4.512 -3.842 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.177 -4.296 -5.353 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.577 -4.184 -2.986 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.274 -5.708 -3.147 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.565 -6.910 -3.657 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.405 -6.741 -5.202 1.00 0.00 H new ATOM 747 N ILE A 59 0.963 -1.322 -4.180 1.00 0.00 N ATOM 748 CA ILE A 59 2.092 -0.682 -4.844 1.00 0.00 C ATOM 749 C ILE A 59 3.033 -1.724 -5.437 1.00 0.00 C ATOM 750 O ILE A 59 3.583 -2.559 -4.719 1.00 0.00 O ATOM 751 CB ILE A 59 2.884 0.217 -3.872 1.00 0.00 C ATOM 752 CG1 ILE A 59 1.938 1.167 -3.135 1.00 0.00 C ATOM 753 CG2 ILE A 59 3.950 1.002 -4.623 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.392 1.502 -1.729 1.00 0.00 C ATOM 0 H ILE A 59 0.964 -1.230 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 59 1.683 -0.063 -5.643 1.00 0.00 H new ATOM 0 HB ILE A 59 3.378 -0.418 -3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.844 2.090 -3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.946 0.717 -3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.500 1.631 -3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.639 0.309 -5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.476 1.628 -5.379 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.674 2.179 -1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.459 0.587 -1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.370 1.981 -1.767 1.00 0.00 H new ATOM 766 N VAL A 60 3.207 -1.675 -6.754 1.00 0.00 N ATOM 767 CA VAL A 60 4.074 -2.622 -7.446 1.00 0.00 C ATOM 768 C VAL A 60 5.445 -2.019 -7.741 1.00 0.00 C ATOM 769 O VAL A 60 6.416 -2.744 -7.958 1.00 0.00 O ATOM 770 CB VAL A 60 3.438 -3.102 -8.766 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.132 -3.834 -8.494 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.212 -1.931 -9.711 1.00 0.00 C ATOM 0 H VAL A 60 2.759 -0.990 -7.363 1.00 0.00 H new ATOM 0 HA VAL A 60 4.200 -3.474 -6.778 1.00 0.00 H new ATOM 0 HB VAL A 60 4.127 -3.797 -9.246 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.697 -4.165 -9.437 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.325 -4.699 -7.860 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.437 -3.163 -7.990 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.763 -2.292 -10.636 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.545 -1.208 -9.241 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.166 -1.453 -9.933 1.00 0.00 H new ATOM 782 N GLU A 61 5.526 -0.690 -7.750 1.00 0.00 N ATOM 783 CA GLU A 61 6.785 -0.005 -8.023 1.00 0.00 C ATOM 784 C GLU A 61 6.812 1.380 -7.381 1.00 0.00 C ATOM 785 O GLU A 61 5.766 1.983 -7.138 1.00 0.00 O ATOM 786 CB GLU A 61 7.004 0.119 -9.532 1.00 0.00 C ATOM 787 CG GLU A 61 8.460 0.317 -9.923 1.00 0.00 C ATOM 788 CD GLU A 61 8.687 1.595 -10.705 1.00 0.00 C ATOM 789 OE1 GLU A 61 8.529 2.686 -10.116 1.00 0.00 O ATOM 790 OE2 GLU A 61 9.021 1.508 -11.904 1.00 0.00 O ATOM 0 H GLU A 61 4.737 -0.069 -7.572 1.00 0.00 H new ATOM 0 HA GLU A 61 7.589 -0.599 -7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.624 -0.778 -10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.419 0.958 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.075 0.333 -9.023 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.790 -0.533 -10.520 1.00 0.00 H new ATOM 797 N VAL A 62 8.016 1.878 -7.110 1.00 0.00 N ATOM 798 CA VAL A 62 8.184 3.192 -6.499 1.00 0.00 C ATOM 799 C VAL A 62 9.507 3.829 -6.918 1.00 0.00 C ATOM 800 O VAL A 62 10.553 3.555 -6.330 1.00 0.00 O ATOM 801 CB VAL A 62 8.132 3.109 -4.959 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.236 4.498 -4.339 1.00 0.00 C ATOM 803 CG2 VAL A 62 6.859 2.410 -4.507 1.00 0.00 C ATOM 0 H VAL A 62 8.890 1.390 -7.305 1.00 0.00 H new ATOM 0 HA VAL A 62 7.358 3.811 -6.850 1.00 0.00 H new ATOM 0 HB VAL A 62 8.985 2.523 -4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.197 4.415 -3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.179 4.959 -4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.407 5.114 -4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.838 2.360 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.992 2.968 -4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.833 1.400 -4.917 1.00 0.00 H new ATOM 813 N ASN A 63 9.450 4.680 -7.938 1.00 0.00 N ATOM 814 CA ASN A 63 10.643 5.358 -8.436 1.00 0.00 C ATOM 815 C ASN A 63 11.709 4.349 -8.858 1.00 0.00 C ATOM 816 O ASN A 63 12.904 4.573 -8.665 1.00 0.00 O ATOM 817 CB ASN A 63 11.202 6.300 -7.366 1.00 0.00 C ATOM 818 CG ASN A 63 10.970 7.760 -7.704 1.00 0.00 C ATOM 819 OD1 ASN A 63 10.073 8.094 -8.478 1.00 0.00 O ATOM 820 ND2 ASN A 63 11.781 8.639 -7.127 1.00 0.00 N ATOM 0 H ASN A 63 8.592 4.917 -8.436 1.00 0.00 H new ATOM 0 HA ASN A 63 10.361 5.943 -9.312 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.736 6.073 -6.407 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.271 6.122 -7.251 1.00 0.00 H new ATOM 0 HD21 ASN A 63 11.673 9.635 -7.319 1.00 0.00 H new ATOM 0 HD22 ASN A 63 12.512 8.318 -6.492 1.00 0.00 H new ATOM 827 N GLY A 64 11.267 3.237 -9.435 1.00 0.00 N ATOM 828 CA GLY A 64 12.193 2.211 -9.875 1.00 0.00 C ATOM 829 C GLY A 64 12.348 1.097 -8.859 1.00 0.00 C ATOM 830 O GLY A 64 12.633 -0.045 -9.218 1.00 0.00 O ATOM 0 H GLY A 64 10.283 3.028 -9.606 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.845 1.792 -10.819 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.167 2.662 -10.066 1.00 0.00 H new ATOM 834 N VAL A 65 12.159 1.431 -7.585 1.00 0.00 N ATOM 835 CA VAL A 65 12.278 0.451 -6.513 1.00 0.00 C ATOM 836 C VAL A 65 11.246 -0.661 -6.672 1.00 0.00 C ATOM 837 O VAL A 65 10.044 -0.424 -6.575 1.00 0.00 O ATOM 838 CB VAL A 65 12.102 1.107 -5.129 1.00 0.00 C ATOM 839 CG1 VAL A 65 12.379 0.101 -4.023 1.00 0.00 C ATOM 840 CG2 VAL A 65 13.007 2.322 -4.994 1.00 0.00 C ATOM 0 H VAL A 65 11.923 2.373 -7.272 1.00 0.00 H new ATOM 0 HA VAL A 65 13.280 0.027 -6.579 1.00 0.00 H new ATOM 0 HB VAL A 65 11.069 1.441 -5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.250 0.582 -3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.685 -0.735 -4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.401 -0.266 -4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.869 2.771 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.047 2.016 -5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.755 3.051 -5.765 1.00 0.00 H new ATOM 850 N ASP A 66 11.728 -1.876 -6.920 1.00 0.00 N ATOM 851 CA ASP A 66 10.846 -3.024 -7.093 1.00 0.00 C ATOM 852 C ASP A 66 10.100 -3.336 -5.800 1.00 0.00 C ATOM 853 O ASP A 66 10.707 -3.704 -4.794 1.00 0.00 O ATOM 854 CB ASP A 66 11.650 -4.247 -7.540 1.00 0.00 C ATOM 855 CG ASP A 66 11.884 -4.270 -9.036 1.00 0.00 C ATOM 856 OD1 ASP A 66 10.938 -3.957 -9.789 1.00 0.00 O ATOM 857 OD2 ASP A 66 13.012 -4.602 -9.457 1.00 0.00 O ATOM 0 H ASP A 66 12.722 -2.090 -7.005 1.00 0.00 H new ATOM 0 HA ASP A 66 10.115 -2.777 -7.862 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.611 -4.255 -7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.122 -5.153 -7.244 1.00 0.00 H new ATOM 862 N PHE A 67 8.780 -3.189 -5.835 1.00 0.00 N ATOM 863 CA PHE A 67 7.950 -3.457 -4.666 1.00 0.00 C ATOM 864 C PHE A 67 7.352 -4.860 -4.729 1.00 0.00 C ATOM 865 O PHE A 67 6.311 -5.128 -4.131 1.00 0.00 O ATOM 866 CB PHE A 67 6.834 -2.417 -4.559 1.00 0.00 C ATOM 867 CG PHE A 67 7.175 -1.258 -3.666 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.422 -0.655 -3.735 1.00 0.00 C ATOM 869 CD2 PHE A 67 6.250 -0.770 -2.756 1.00 0.00 C ATOM 870 CE1 PHE A 67 8.738 0.410 -2.915 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.561 0.295 -1.933 1.00 0.00 C ATOM 872 CZ PHE A 67 7.807 0.886 -2.011 1.00 0.00 C ATOM 0 H PHE A 67 8.262 -2.886 -6.660 1.00 0.00 H new ATOM 0 HA PHE A 67 8.583 -3.394 -3.781 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.602 -2.041 -5.556 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.932 -2.901 -4.184 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.154 -1.023 -4.438 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.274 -1.228 -2.690 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.712 0.871 -2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.830 0.665 -1.229 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.053 1.718 -1.367 1.00 0.00 H new ATOM 882 N SER A 68 8.020 -5.754 -5.455 1.00 0.00 N ATOM 883 CA SER A 68 7.552 -7.129 -5.590 1.00 0.00 C ATOM 884 C SER A 68 7.728 -7.889 -4.280 1.00 0.00 C ATOM 885 O SER A 68 6.778 -8.469 -3.756 1.00 0.00 O ATOM 886 CB SER A 68 8.312 -7.839 -6.711 1.00 0.00 C ATOM 887 OG SER A 68 7.841 -9.164 -6.888 1.00 0.00 O ATOM 0 H SER A 68 8.884 -5.551 -5.957 1.00 0.00 H new ATOM 0 HA SER A 68 6.491 -7.106 -5.839 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.198 -7.282 -7.641 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.377 -7.856 -6.478 1.00 0.00 H new ATOM 0 HG SER A 68 8.342 -9.595 -7.611 1.00 0.00 H new ATOM 893 N ASN A 69 8.949 -7.876 -3.756 1.00 0.00 N ATOM 894 CA ASN A 69 9.253 -8.559 -2.505 1.00 0.00 C ATOM 895 C ASN A 69 9.754 -7.571 -1.457 1.00 0.00 C ATOM 896 O ASN A 69 10.531 -7.931 -0.572 1.00 0.00 O ATOM 897 CB ASN A 69 10.297 -9.652 -2.735 1.00 0.00 C ATOM 898 CG ASN A 69 9.702 -10.901 -3.352 1.00 0.00 C ATOM 899 OD1 ASN A 69 9.840 -11.143 -4.551 1.00 0.00 O ATOM 900 ND2 ASN A 69 9.034 -11.705 -2.532 1.00 0.00 N ATOM 0 H ASN A 69 9.745 -7.399 -4.179 1.00 0.00 H new ATOM 0 HA ASN A 69 8.335 -9.018 -2.137 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.083 -9.268 -3.385 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.766 -9.908 -1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.611 -12.561 -2.890 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.944 -11.466 -1.545 1.00 0.00 H new ATOM 907 N LEU A 70 9.306 -6.324 -1.565 1.00 0.00 N ATOM 908 CA LEU A 70 9.710 -5.282 -0.630 1.00 0.00 C ATOM 909 C LEU A 70 9.017 -5.462 0.717 1.00 0.00 C ATOM 910 O LEU A 70 7.897 -5.966 0.788 1.00 0.00 O ATOM 911 CB LEU A 70 9.385 -3.901 -1.202 1.00 0.00 C ATOM 912 CG LEU A 70 10.026 -2.724 -0.461 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.184 -2.151 -1.264 1.00 0.00 C ATOM 914 CD2 LEU A 70 8.991 -1.646 -0.173 1.00 0.00 C ATOM 0 H LEU A 70 8.662 -6.011 -2.292 1.00 0.00 H new ATOM 0 HA LEU A 70 10.787 -5.361 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.705 -3.872 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.303 -3.768 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 70 10.416 -3.090 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.626 -1.316 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.938 -2.923 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.819 -1.803 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.465 -0.818 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.570 -1.285 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.195 -2.061 0.445 1.00 0.00 H new ATOM 926 N ASP A 71 9.692 -5.048 1.784 1.00 0.00 N ATOM 927 CA ASP A 71 9.142 -5.164 3.129 1.00 0.00 C ATOM 928 C ASP A 71 8.235 -3.981 3.452 1.00 0.00 C ATOM 929 O ASP A 71 8.145 -3.026 2.681 1.00 0.00 O ATOM 930 CB ASP A 71 10.271 -5.256 4.158 1.00 0.00 C ATOM 931 CG ASP A 71 10.562 -6.687 4.568 1.00 0.00 C ATOM 932 OD1 ASP A 71 10.472 -7.583 3.703 1.00 0.00 O ATOM 933 OD2 ASP A 71 10.880 -6.910 5.755 1.00 0.00 O ATOM 0 H ASP A 71 10.621 -4.629 1.743 1.00 0.00 H new ATOM 0 HA ASP A 71 8.546 -6.075 3.173 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.174 -4.808 3.744 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.003 -4.675 5.041 1.00 0.00 H new ATOM 938 N HIS A 72 7.565 -4.053 4.597 1.00 0.00 N ATOM 939 CA HIS A 72 6.664 -2.991 5.027 1.00 0.00 C ATOM 940 C HIS A 72 7.439 -1.712 5.334 1.00 0.00 C ATOM 941 O HIS A 72 7.190 -0.664 4.737 1.00 0.00 O ATOM 942 CB HIS A 72 5.879 -3.443 6.259 1.00 0.00 C ATOM 943 CG HIS A 72 4.942 -2.406 6.793 1.00 0.00 C ATOM 944 ND1 HIS A 72 4.382 -1.418 6.011 1.00 0.00 N ATOM 945 CD2 HIS A 72 4.463 -2.209 8.044 1.00 0.00 C ATOM 946 CE1 HIS A 72 3.601 -0.657 6.758 1.00 0.00 C ATOM 947 NE2 HIS A 72 3.632 -1.119 7.995 1.00 0.00 N ATOM 0 H HIS A 72 7.629 -4.838 5.245 1.00 0.00 H new ATOM 0 HA HIS A 72 5.967 -2.779 4.217 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.310 -4.338 6.007 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.582 -3.722 7.044 1.00 0.00 H new ATOM 0 HD1 HIS A 72 4.545 -1.294 5.012 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.693 -2.800 8.918 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.035 0.196 6.416 1.00 0.00 H new ATOM 956 N LYS A 73 8.381 -1.808 6.267 1.00 0.00 N ATOM 957 CA LYS A 73 9.194 -0.660 6.652 1.00 0.00 C ATOM 958 C LYS A 73 9.930 -0.088 5.445 1.00 0.00 C ATOM 959 O LYS A 73 10.122 1.123 5.340 1.00 0.00 O ATOM 960 CB LYS A 73 10.196 -1.060 7.738 1.00 0.00 C ATOM 961 CG LYS A 73 9.771 -0.643 9.137 1.00 0.00 C ATOM 962 CD LYS A 73 10.698 -1.217 10.198 1.00 0.00 C ATOM 963 CE LYS A 73 9.928 -1.984 11.260 1.00 0.00 C ATOM 964 NZ LYS A 73 10.784 -2.981 11.959 1.00 0.00 N ATOM 0 H LYS A 73 8.600 -2.668 6.770 1.00 0.00 H new ATOM 0 HA LYS A 73 8.531 0.110 7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.332 -2.141 7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.163 -0.612 7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.766 0.445 9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.751 -0.979 9.324 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.425 -1.878 9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.259 -0.409 10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.519 -1.283 11.988 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.082 -2.493 10.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.220 -3.482 12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.154 -3.665 11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.577 -2.493 12.422 1.00 0.00 H new ATOM 978 N GLU A 74 10.336 -0.966 4.534 1.00 0.00 N ATOM 979 CA GLU A 74 11.047 -0.546 3.333 1.00 0.00 C ATOM 980 C GLU A 74 10.171 0.364 2.477 1.00 0.00 C ATOM 981 O GLU A 74 10.625 1.396 1.984 1.00 0.00 O ATOM 982 CB GLU A 74 11.484 -1.767 2.520 1.00 0.00 C ATOM 983 CG GLU A 74 12.951 -2.122 2.700 1.00 0.00 C ATOM 984 CD GLU A 74 13.855 -1.361 1.749 1.00 0.00 C ATOM 985 OE1 GLU A 74 14.184 -0.196 2.048 1.00 0.00 O ATOM 986 OE2 GLU A 74 14.235 -1.934 0.704 1.00 0.00 O ATOM 0 H GLU A 74 10.185 -1.972 4.605 1.00 0.00 H new ATOM 0 HA GLU A 74 11.932 0.012 3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.873 -2.623 2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.291 -1.578 1.464 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.249 -1.910 3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.084 -3.193 2.544 1.00 0.00 H new ATOM 993 N ALA A 75 8.911 -0.025 2.310 1.00 0.00 N ATOM 994 CA ALA A 75 7.969 0.754 1.517 1.00 0.00 C ATOM 995 C ALA A 75 7.775 2.144 2.113 1.00 0.00 C ATOM 996 O ALA A 75 7.771 3.144 1.395 1.00 0.00 O ATOM 997 CB ALA A 75 6.635 0.030 1.420 1.00 0.00 C ATOM 0 H ALA A 75 8.519 -0.876 2.714 1.00 0.00 H new ATOM 0 HA ALA A 75 8.381 0.868 0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.941 0.624 0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.781 -0.941 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.225 -0.113 2.420 1.00 0.00 H new ATOM 1003 N VAL A 76 7.614 2.198 3.431 1.00 0.00 N ATOM 1004 CA VAL A 76 7.421 3.464 4.124 1.00 0.00 C ATOM 1005 C VAL A 76 8.695 4.302 4.098 1.00 0.00 C ATOM 1006 O VAL A 76 8.650 5.509 3.861 1.00 0.00 O ATOM 1007 CB VAL A 76 6.989 3.245 5.587 1.00 0.00 C ATOM 1008 CG1 VAL A 76 6.667 4.570 6.261 1.00 0.00 C ATOM 1009 CG2 VAL A 76 5.795 2.305 5.654 1.00 0.00 C ATOM 0 H VAL A 76 7.614 1.379 4.039 1.00 0.00 H new ATOM 0 HA VAL A 76 6.629 3.997 3.598 1.00 0.00 H new ATOM 0 HB VAL A 76 7.820 2.787 6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.365 4.389 7.293 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.550 5.209 6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.855 5.063 5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.503 2.161 6.694 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.961 2.736 5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.064 1.344 5.216 1.00 0.00 H new ATOM 1019 N ASN A 77 9.830 3.658 4.346 1.00 0.00 N ATOM 1020 CA ASN A 77 11.118 4.347 4.353 1.00 0.00 C ATOM 1021 C ASN A 77 11.351 5.093 3.045 1.00 0.00 C ATOM 1022 O ASN A 77 11.600 6.299 3.043 1.00 0.00 O ATOM 1023 CB ASN A 77 12.253 3.352 4.596 1.00 0.00 C ATOM 1024 CG ASN A 77 13.380 3.949 5.414 1.00 0.00 C ATOM 1025 OD1 ASN A 77 13.637 5.152 5.357 1.00 0.00 O ATOM 1026 ND2 ASN A 77 14.063 3.108 6.182 1.00 0.00 N ATOM 0 H ASN A 77 9.886 2.659 4.545 1.00 0.00 H new ATOM 0 HA ASN A 77 11.102 5.075 5.164 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.860 2.475 5.110 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.645 3.011 3.638 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.834 3.452 6.755 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.817 2.118 6.199 1.00 0.00 H new ATOM 1033 N VAL A 78 11.272 4.371 1.933 1.00 0.00 N ATOM 1034 CA VAL A 78 11.478 4.971 0.620 1.00 0.00 C ATOM 1035 C VAL A 78 10.476 6.092 0.366 1.00 0.00 C ATOM 1036 O VAL A 78 10.842 7.171 -0.105 1.00 0.00 O ATOM 1037 CB VAL A 78 11.362 3.921 -0.500 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.454 2.873 -0.361 1.00 0.00 C ATOM 1039 CG2 VAL A 78 9.988 3.271 -0.487 1.00 0.00 C ATOM 0 H VAL A 78 11.067 3.372 1.914 1.00 0.00 H new ATOM 0 HA VAL A 78 12.486 5.385 0.613 1.00 0.00 H new ATOM 0 HB VAL A 78 11.489 4.425 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.357 2.139 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.430 3.354 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.359 2.374 0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.927 2.532 -1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.826 2.781 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.224 4.033 -0.638 1.00 0.00 H new ATOM 1049 N LEU A 79 9.212 5.837 0.688 1.00 0.00 N ATOM 1050 CA LEU A 79 8.160 6.829 0.499 1.00 0.00 C ATOM 1051 C LEU A 79 8.391 8.035 1.405 1.00 0.00 C ATOM 1052 O LEU A 79 8.049 9.164 1.053 1.00 0.00 O ATOM 1053 CB LEU A 79 6.788 6.213 0.789 1.00 0.00 C ATOM 1054 CG LEU A 79 6.039 5.692 -0.438 1.00 0.00 C ATOM 1055 CD1 LEU A 79 5.584 6.847 -1.316 1.00 0.00 C ATOM 1056 CD2 LEU A 79 6.913 4.730 -1.229 1.00 0.00 C ATOM 0 H LEU A 79 8.891 4.952 1.081 1.00 0.00 H new ATOM 0 HA LEU A 79 8.186 7.161 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.917 5.391 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.168 6.961 1.283 1.00 0.00 H new ATOM 0 HG LEU A 79 5.156 5.152 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.053 6.457 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.920 7.497 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.453 7.416 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.363 4.370 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.815 5.245 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.188 3.885 -0.598 1.00 0.00 H new ATOM 1068 N LYS A 80 8.976 7.787 2.573 1.00 0.00 N ATOM 1069 CA LYS A 80 9.258 8.850 3.530 1.00 0.00 C ATOM 1070 C LYS A 80 10.558 9.569 3.180 1.00 0.00 C ATOM 1071 O LYS A 80 10.730 10.748 3.489 1.00 0.00 O ATOM 1072 CB LYS A 80 9.347 8.276 4.947 1.00 0.00 C ATOM 1073 CG LYS A 80 8.070 8.438 5.756 1.00 0.00 C ATOM 1074 CD LYS A 80 6.866 7.865 5.025 1.00 0.00 C ATOM 1075 CE LYS A 80 5.677 7.697 5.958 1.00 0.00 C ATOM 1076 NZ LYS A 80 5.188 9.005 6.477 1.00 0.00 N ATOM 0 H LYS A 80 9.264 6.858 2.879 1.00 0.00 H new ATOM 0 HA LYS A 80 8.442 9.571 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.595 7.216 4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.166 8.764 5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.183 7.939 6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.901 9.495 5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.593 8.523 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.128 6.900 4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.869 7.192 5.429 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.959 7.057 6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.367 8.848 7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.945 9.469 7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.910 9.613 5.680 1.00 0.00 H new ATOM 1090 N SER A 81 11.473 8.848 2.537 1.00 0.00 N ATOM 1091 CA SER A 81 12.760 9.413 2.151 1.00 0.00 C ATOM 1092 C SER A 81 12.594 10.472 1.065 1.00 0.00 C ATOM 1093 O SER A 81 12.888 11.647 1.279 1.00 0.00 O ATOM 1094 CB SER A 81 13.698 8.308 1.663 1.00 0.00 C ATOM 1095 OG SER A 81 15.050 8.731 1.704 1.00 0.00 O ATOM 0 H SER A 81 11.346 7.871 2.273 1.00 0.00 H new ATOM 0 HA SER A 81 13.194 9.890 3.030 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.573 7.420 2.283 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.433 8.025 0.644 1.00 0.00 H new ATOM 0 HG SER A 81 15.629 8.006 1.389 1.00 0.00 H new ATOM 1101 N SER A 82 12.125 10.047 -0.106 1.00 0.00 N ATOM 1102 CA SER A 82 11.928 10.962 -1.224 1.00 0.00 C ATOM 1103 C SER A 82 10.574 11.657 -1.134 1.00 0.00 C ATOM 1104 O SER A 82 9.570 11.041 -0.777 1.00 0.00 O ATOM 1105 CB SER A 82 12.043 10.206 -2.551 1.00 0.00 C ATOM 1106 OG SER A 82 13.269 10.498 -3.199 1.00 0.00 O ATOM 0 H SER A 82 11.876 9.078 -0.303 1.00 0.00 H new ATOM 0 HA SER A 82 12.705 11.725 -1.177 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.970 9.134 -2.370 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.211 10.477 -3.201 1.00 0.00 H new ATOM 0 HG SER A 82 13.319 10.002 -4.043 1.00 0.00 H new ATOM 1112 N ARG A 83 10.553 12.945 -1.466 1.00 0.00 N ATOM 1113 CA ARG A 83 9.323 13.726 -1.427 1.00 0.00 C ATOM 1114 C ARG A 83 8.467 13.443 -2.657 1.00 0.00 C ATOM 1115 O ARG A 83 7.328 12.988 -2.541 1.00 0.00 O ATOM 1116 CB ARG A 83 9.645 15.221 -1.346 1.00 0.00 C ATOM 1117 CG ARG A 83 10.160 15.660 0.015 1.00 0.00 C ATOM 1118 CD ARG A 83 9.958 17.150 0.235 1.00 0.00 C ATOM 1119 NE ARG A 83 11.200 17.902 0.071 1.00 0.00 N ATOM 1120 CZ ARG A 83 11.674 18.308 -1.106 1.00 0.00 C ATOM 1121 NH1 ARG A 83 11.019 18.032 -2.227 1.00 0.00 N ATOM 1122 NH2 ARG A 83 12.810 18.992 -1.162 1.00 0.00 N ATOM 0 H ARG A 83 11.375 13.469 -1.765 1.00 0.00 H new ATOM 0 HA ARG A 83 8.762 13.436 -0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.390 15.465 -2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.748 15.791 -1.587 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.644 15.103 0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.220 15.420 0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.213 17.522 -0.469 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.562 17.318 1.237 1.00 0.00 H new ATOM 0 HE ARG A 83 11.736 18.130 0.908 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.146 17.506 -2.191 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.389 18.346 -3.124 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.319 19.206 -0.304 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.174 19.303 -2.063 1.00 0.00 H new ATOM 1136 N SER A 84 9.023 13.711 -3.833 1.00 0.00 N ATOM 1137 CA SER A 84 8.313 13.481 -5.087 1.00 0.00 C ATOM 1138 C SER A 84 8.805 12.205 -5.760 1.00 0.00 C ATOM 1139 O SER A 84 9.866 12.192 -6.387 1.00 0.00 O ATOM 1140 CB SER A 84 8.496 14.673 -6.029 1.00 0.00 C ATOM 1141 OG SER A 84 7.499 14.685 -7.036 1.00 0.00 O ATOM 0 H SER A 84 9.964 14.088 -3.945 1.00 0.00 H new ATOM 0 HA SER A 84 7.253 13.368 -4.861 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.453 15.601 -5.459 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.483 14.628 -6.490 1.00 0.00 H new ATOM 0 HG SER A 84 7.637 15.457 -7.624 1.00 0.00 H new ATOM 1147 N LEU A 85 8.034 11.132 -5.625 1.00 0.00 N ATOM 1148 CA LEU A 85 8.398 9.850 -6.219 1.00 0.00 C ATOM 1149 C LEU A 85 7.221 9.246 -6.980 1.00 0.00 C ATOM 1150 O LEU A 85 6.072 9.346 -6.548 1.00 0.00 O ATOM 1151 CB LEU A 85 8.881 8.870 -5.140 1.00 0.00 C ATOM 1152 CG LEU A 85 8.763 9.366 -3.696 1.00 0.00 C ATOM 1153 CD1 LEU A 85 7.308 9.384 -3.254 1.00 0.00 C ATOM 1154 CD2 LEU A 85 9.593 8.492 -2.765 1.00 0.00 C ATOM 0 H LEU A 85 7.154 11.124 -5.110 1.00 0.00 H new ATOM 0 HA LEU A 85 9.211 10.029 -6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.313 7.944 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.925 8.626 -5.337 1.00 0.00 H new ATOM 0 HG LEU A 85 9.148 10.385 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.245 9.739 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.739 10.049 -3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.896 8.377 -3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.499 8.858 -1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.236 7.463 -2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.639 8.529 -3.068 1.00 0.00 H new ATOM 1166 N THR A 86 7.521 8.609 -8.107 1.00 0.00 N ATOM 1167 CA THR A 86 6.492 7.977 -8.925 1.00 0.00 C ATOM 1168 C THR A 86 6.248 6.549 -8.456 1.00 0.00 C ATOM 1169 O THR A 86 7.147 5.707 -8.507 1.00 0.00 O ATOM 1170 CB THR A 86 6.904 7.982 -10.398 1.00 0.00 C ATOM 1171 OG1 THR A 86 7.338 9.271 -10.793 1.00 0.00 O ATOM 1172 CG2 THR A 86 5.789 7.567 -11.333 1.00 0.00 C ATOM 0 H THR A 86 8.468 8.517 -8.475 1.00 0.00 H new ATOM 0 HA THR A 86 5.568 8.545 -8.818 1.00 0.00 H new ATOM 0 HB THR A 86 7.711 7.253 -10.474 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.599 9.253 -11.738 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.148 7.592 -12.362 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.465 6.556 -11.087 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.949 8.254 -11.225 1.00 0.00 H new ATOM 1180 N ILE A 87 5.036 6.280 -7.989 1.00 0.00 N ATOM 1181 CA ILE A 87 4.686 4.952 -7.500 1.00 0.00 C ATOM 1182 C ILE A 87 3.677 4.265 -8.409 1.00 0.00 C ATOM 1183 O ILE A 87 2.593 4.791 -8.665 1.00 0.00 O ATOM 1184 CB ILE A 87 4.113 5.014 -6.072 1.00 0.00 C ATOM 1185 CG1 ILE A 87 2.979 6.040 -5.995 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.210 5.356 -5.074 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.380 6.178 -4.613 1.00 0.00 C ATOM 0 H ILE A 87 4.279 6.962 -7.938 1.00 0.00 H new ATOM 0 HA ILE A 87 5.609 4.372 -7.494 1.00 0.00 H new ATOM 0 HB ILE A 87 3.709 4.034 -5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.356 7.011 -6.317 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.194 5.755 -6.695 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.789 5.396 -4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.987 4.592 -5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.641 6.325 -5.325 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.583 6.922 -4.634 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.972 5.218 -4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.152 6.494 -3.912 1.00 0.00 H new ATOM 1199 N SER A 88 4.036 3.076 -8.886 1.00 0.00 N ATOM 1200 CA SER A 88 3.160 2.302 -9.756 1.00 0.00 C ATOM 1201 C SER A 88 2.323 1.332 -8.933 1.00 0.00 C ATOM 1202 O SER A 88 2.852 0.402 -8.324 1.00 0.00 O ATOM 1203 CB SER A 88 3.981 1.536 -10.795 1.00 0.00 C ATOM 1204 OG SER A 88 3.169 1.116 -11.877 1.00 0.00 O ATOM 0 H SER A 88 4.930 2.628 -8.683 1.00 0.00 H new ATOM 0 HA SER A 88 2.493 2.990 -10.276 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.787 2.170 -11.165 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.447 0.668 -10.328 1.00 0.00 H new ATOM 0 HG SER A 88 3.717 0.630 -12.528 1.00 0.00 H new ATOM 1210 N ILE A 89 1.015 1.560 -8.906 1.00 0.00 N ATOM 1211 CA ILE A 89 0.109 0.710 -8.146 1.00 0.00 C ATOM 1212 C ILE A 89 -0.906 0.029 -9.057 1.00 0.00 C ATOM 1213 O ILE A 89 -1.327 0.594 -10.063 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.638 1.524 -7.066 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.642 0.637 -6.314 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.329 2.728 -7.693 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.046 0.655 -6.890 1.00 0.00 C ATOM 0 H ILE A 89 0.559 2.326 -9.402 1.00 0.00 H new ATOM 0 HA ILE A 89 0.716 -0.055 -7.662 1.00 0.00 H new ATOM 0 HB ILE A 89 0.089 1.890 -6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.275 -0.389 -6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.685 0.959 -5.273 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.851 3.292 -6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.585 3.367 -8.169 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.046 2.388 -8.440 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.690 0.003 -6.300 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.437 1.672 -6.863 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.021 0.303 -7.921 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.302 -1.182 -8.688 1.00 0.00 N ATOM 1230 CA VAL A 90 -2.276 -1.936 -9.466 1.00 0.00 C ATOM 1231 C VAL A 90 -3.545 -2.171 -8.652 1.00 0.00 C ATOM 1232 O VAL A 90 -3.483 -2.540 -7.480 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.710 -3.291 -9.925 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -2.620 -3.929 -10.962 1.00 0.00 C ATOM 1235 CG2 VAL A 90 -0.299 -3.125 -10.472 1.00 0.00 C ATOM 0 H VAL A 90 -0.964 -1.663 -7.855 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.511 -1.342 -10.349 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.664 -3.954 -9.061 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.202 -4.886 -11.273 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.608 -4.088 -10.530 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.704 -3.271 -11.827 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.084 -4.094 -10.791 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.316 -2.444 -11.323 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.347 -2.718 -9.694 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.693 -1.939 -9.277 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.976 -2.109 -8.607 1.00 0.00 C ATOM 1247 C ALA A 91 -6.302 -3.580 -8.364 1.00 0.00 C ATOM 1248 O ALA A 91 -6.241 -4.402 -9.281 1.00 0.00 O ATOM 1249 CB ALA A 91 -7.083 -1.453 -9.418 1.00 0.00 C ATOM 0 H ALA A 91 -4.761 -1.632 -10.247 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.905 -1.623 -7.634 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.037 -1.587 -8.907 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.874 -0.388 -9.524 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.132 -1.913 -10.405 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.665 -3.897 -7.120 1.00 0.00 N ATOM 1256 CA ALA A 92 -7.029 -5.260 -6.724 1.00 0.00 C ATOM 1257 C ALA A 92 -5.811 -6.121 -6.386 1.00 0.00 C ATOM 1258 O ALA A 92 -5.945 -7.161 -5.742 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.871 -5.933 -7.799 1.00 0.00 C ATOM 0 H ALA A 92 -6.715 -3.219 -6.360 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.622 -5.170 -5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.128 -6.943 -7.481 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.784 -5.359 -7.958 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.305 -5.979 -8.729 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.624 -5.695 -6.814 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.404 -6.450 -6.536 1.00 0.00 C ATOM 1267 C ALA A 93 -3.237 -6.703 -5.038 1.00 0.00 C ATOM 1268 O ALA A 93 -2.529 -7.623 -4.628 1.00 0.00 O ATOM 1269 CB ALA A 93 -2.194 -5.710 -7.086 1.00 0.00 C ATOM 0 H ALA A 93 -4.481 -4.839 -7.350 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.485 -7.418 -7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.290 -6.281 -6.873 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.301 -5.588 -8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.122 -4.729 -6.615 1.00 0.00 H new ATOM 1275 N GLY A 94 -3.891 -5.875 -4.229 1.00 0.00 N ATOM 1276 CA GLY A 94 -3.808 -6.010 -2.786 1.00 0.00 C ATOM 1277 C GLY A 94 -5.137 -6.387 -2.158 1.00 0.00 C ATOM 1278 O GLY A 94 -5.178 -7.038 -1.115 1.00 0.00 O ATOM 0 H GLY A 94 -4.481 -5.108 -4.550 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.065 -6.768 -2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.461 -5.070 -2.356 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.225 -5.953 -2.786 1.00 0.00 N ATOM 1283 CA ARG A 95 -7.569 -6.218 -2.278 1.00 0.00 C ATOM 1284 C ARG A 95 -7.815 -7.714 -2.094 1.00 0.00 C ATOM 1285 O ARG A 95 -8.464 -8.128 -1.132 1.00 0.00 O ATOM 1286 CB ARG A 95 -8.615 -5.625 -3.231 1.00 0.00 C ATOM 1287 CG ARG A 95 -9.038 -6.560 -4.358 1.00 0.00 C ATOM 1288 CD ARG A 95 -10.071 -5.911 -5.262 1.00 0.00 C ATOM 1289 NE ARG A 95 -11.413 -5.968 -4.686 1.00 0.00 N ATOM 1290 CZ ARG A 95 -12.531 -5.832 -5.395 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -12.476 -5.627 -6.705 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -13.710 -5.901 -4.791 1.00 0.00 N ATOM 0 H ARG A 95 -6.203 -5.414 -3.652 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.658 -5.744 -1.301 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -9.498 -5.346 -2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.216 -4.709 -3.665 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.164 -6.841 -4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.448 -7.478 -3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.796 -4.871 -5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.070 -6.410 -6.231 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.498 -6.121 -3.681 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.572 -5.573 -7.175 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.337 -5.524 -7.242 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.759 -6.058 -3.784 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -14.568 -5.797 -5.333 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.301 -8.523 -3.015 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.479 -9.970 -2.933 1.00 0.00 C ATOM 1308 C GLU A 96 -7.073 -10.487 -1.556 1.00 0.00 C ATOM 1309 O GLU A 96 -7.823 -11.218 -0.909 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.660 -10.671 -4.019 1.00 0.00 C ATOM 1311 CG GLU A 96 -5.201 -10.246 -4.055 1.00 0.00 C ATOM 1312 CD GLU A 96 -4.612 -10.304 -5.449 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -5.111 -11.101 -6.272 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -3.650 -9.554 -5.720 1.00 0.00 O ATOM 0 H GLU A 96 -6.762 -8.206 -3.821 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.535 -10.192 -3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.711 -11.748 -3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.112 -10.469 -4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.113 -9.230 -3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.622 -10.890 -3.393 1.00 0.00 H new ATOM 1321 N LEU A 97 -5.886 -10.092 -1.111 1.00 0.00 N ATOM 1322 CA LEU A 97 -5.380 -10.503 0.193 1.00 0.00 C ATOM 1323 C LEU A 97 -6.140 -9.806 1.318 1.00 0.00 C ATOM 1324 O LEU A 97 -6.380 -10.389 2.375 1.00 0.00 O ATOM 1325 CB LEU A 97 -3.887 -10.191 0.302 1.00 0.00 C ATOM 1326 CG LEU A 97 -3.035 -10.709 -0.856 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -1.720 -9.950 -0.931 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -2.783 -12.202 -0.705 1.00 0.00 C ATOM 0 H LEU A 97 -5.255 -9.486 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.530 -11.578 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.761 -9.111 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.509 -10.617 1.231 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.580 -10.544 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.126 -10.332 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.920 -8.890 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.169 -10.083 0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.175 -12.554 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.259 -12.390 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.735 -12.733 -0.701 1.00 0.00 H new ATOM 1340 N PHE A 98 -6.512 -8.551 1.081 1.00 0.00 N ATOM 1341 CA PHE A 98 -7.242 -7.763 2.071 1.00 0.00 C ATOM 1342 C PHE A 98 -8.495 -8.492 2.547 1.00 0.00 C ATOM 1343 O PHE A 98 -8.820 -8.474 3.735 1.00 0.00 O ATOM 1344 CB PHE A 98 -7.619 -6.400 1.485 1.00 0.00 C ATOM 1345 CG PHE A 98 -7.264 -5.245 2.378 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -8.124 -4.843 3.388 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -6.071 -4.562 2.207 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -7.800 -3.781 4.211 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -5.741 -3.498 3.028 1.00 0.00 C ATOM 1350 CZ PHE A 98 -6.608 -3.108 4.030 1.00 0.00 C ATOM 0 H PHE A 98 -6.320 -8.057 0.210 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.589 -7.617 2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -7.117 -6.275 0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -8.691 -6.381 1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -9.058 -5.366 3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -5.391 -4.863 1.424 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -8.478 -3.478 4.995 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.808 -2.974 2.886 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.354 -2.277 4.671 1.00 0.00 H new ATOM 1360 N MET A 99 -9.196 -9.131 1.616 1.00 0.00 N ATOM 1361 CA MET A 99 -10.415 -9.863 1.946 1.00 0.00 C ATOM 1362 C MET A 99 -10.139 -10.933 2.999 1.00 0.00 C ATOM 1363 O MET A 99 -9.401 -11.885 2.752 1.00 0.00 O ATOM 1364 CB MET A 99 -11.003 -10.506 0.689 1.00 0.00 C ATOM 1365 CG MET A 99 -11.933 -9.586 -0.085 1.00 0.00 C ATOM 1366 SD MET A 99 -13.372 -9.083 0.878 1.00 0.00 S ATOM 1367 CE MET A 99 -14.570 -8.800 -0.423 1.00 0.00 C ATOM 0 H MET A 99 -8.942 -9.157 0.628 1.00 0.00 H new ATOM 0 HA MET A 99 -11.136 -9.155 2.355 1.00 0.00 H new ATOM 0 HB2 MET A 99 -10.188 -10.819 0.036 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.548 -11.406 0.972 1.00 0.00 H new ATOM 0 HG2 MET A 99 -11.382 -8.699 -0.398 1.00 0.00 H new ATOM 0 HG3 MET A 99 -12.266 -10.091 -0.992 1.00 0.00 H new ATOM 0 HE1 MET A 99 -15.516 -8.482 0.016 1.00 0.00 H new ATOM 0 HE2 MET A 99 -14.202 -8.024 -1.094 1.00 0.00 H new ATOM 0 HE3 MET A 99 -14.722 -9.722 -0.984 1.00 0.00 H new ATOM 1377 N THR A 100 -10.739 -10.767 4.174 1.00 0.00 N ATOM 1378 CA THR A 100 -10.558 -11.717 5.267 1.00 0.00 C ATOM 1379 C THR A 100 -10.910 -13.135 4.827 1.00 0.00 C ATOM 1380 O THR A 100 -10.113 -14.059 4.987 1.00 0.00 O ATOM 1381 CB THR A 100 -11.411 -11.315 6.471 1.00 0.00 C ATOM 1382 OG1 THR A 100 -11.426 -12.346 7.442 1.00 0.00 O ATOM 1383 CG2 THR A 100 -12.848 -10.999 6.115 1.00 0.00 C ATOM 0 H THR A 100 -11.355 -9.984 4.394 1.00 0.00 H new ATOM 0 HA THR A 100 -9.507 -11.699 5.555 1.00 0.00 H new ATOM 0 HB THR A 100 -10.946 -10.410 6.861 1.00 0.00 H new ATOM 0 HG1 THR A 100 -11.976 -12.069 8.205 1.00 0.00 H new ATOM 0 HG21 THR A 100 -13.394 -10.722 7.017 1.00 0.00 H new ATOM 0 HG22 THR A 100 -12.874 -10.171 5.406 1.00 0.00 H new ATOM 0 HG23 THR A 100 -13.313 -11.876 5.665 1.00 0.00 H new TER 1391 THR A 100 ATOM 1392 N THR B 111 -1.154 -14.643 12.604 1.00 0.00 N ATOM 1393 CA THR B 111 -0.589 -13.336 12.913 1.00 0.00 C ATOM 1394 C THR B 111 -1.261 -12.241 12.089 1.00 0.00 C ATOM 1395 O THR B 111 -1.632 -12.461 10.936 1.00 0.00 O ATOM 1396 CB THR B 111 0.918 -13.334 12.653 1.00 0.00 C ATOM 1397 OG1 THR B 111 1.189 -13.535 11.276 1.00 0.00 O ATOM 1398 CG2 THR B 111 1.661 -14.400 13.427 1.00 0.00 C ATOM 0 HA THR B 111 -0.769 -13.132 13.968 1.00 0.00 H new ATOM 0 HB THR B 111 1.267 -12.357 12.987 1.00 0.00 H new ATOM 0 HG1 THR B 111 0.546 -14.175 10.906 1.00 0.00 H new ATOM 0 HG21 THR B 111 2.725 -14.343 13.196 1.00 0.00 H new ATOM 0 HG22 THR B 111 1.513 -14.244 14.496 1.00 0.00 H new ATOM 0 HG23 THR B 111 1.282 -15.383 13.148 1.00 0.00 H new ATOM 1406 N PRO B 112 -1.427 -11.041 12.671 1.00 0.00 N ATOM 1407 CA PRO B 112 -2.057 -9.911 11.987 1.00 0.00 C ATOM 1408 C PRO B 112 -1.091 -9.180 11.062 1.00 0.00 C ATOM 1409 O PRO B 112 0.100 -9.488 11.024 1.00 0.00 O ATOM 1410 CB PRO B 112 -2.477 -9.009 13.144 1.00 0.00 C ATOM 1411 CG PRO B 112 -1.449 -9.252 14.197 1.00 0.00 C ATOM 1412 CD PRO B 112 -1.015 -10.689 14.045 1.00 0.00 C ATOM 0 HA PRO B 112 -2.879 -10.222 11.342 1.00 0.00 H new ATOM 0 HB2 PRO B 112 -2.498 -7.961 12.844 1.00 0.00 H new ATOM 0 HB3 PRO B 112 -3.477 -9.259 13.500 1.00 0.00 H new ATOM 0 HG2 PRO B 112 -0.603 -8.576 14.077 1.00 0.00 H new ATOM 0 HG3 PRO B 112 -1.861 -9.074 15.190 1.00 0.00 H new ATOM 0 HD2 PRO B 112 0.061 -10.798 14.180 1.00 0.00 H new ATOM 0 HD3 PRO B 112 -1.495 -11.332 14.783 1.00 0.00 H new ATOM 1420 N LEU B 113 -1.612 -8.208 10.320 1.00 0.00 N ATOM 1421 CA LEU B 113 -0.792 -7.430 9.397 1.00 0.00 C ATOM 1422 C LEU B 113 -0.607 -6.005 9.908 1.00 0.00 C ATOM 1423 O LEU B 113 -1.573 -5.334 10.270 1.00 0.00 O ATOM 1424 CB LEU B 113 -1.433 -7.409 8.007 1.00 0.00 C ATOM 1425 CG LEU B 113 -1.905 -8.768 7.489 1.00 0.00 C ATOM 1426 CD1 LEU B 113 -2.898 -8.588 6.352 1.00 0.00 C ATOM 1427 CD2 LEU B 113 -0.720 -9.608 7.035 1.00 0.00 C ATOM 0 H LEU B 113 -2.596 -7.940 10.339 1.00 0.00 H new ATOM 0 HA LEU B 113 0.188 -7.903 9.329 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -2.285 -6.730 8.027 1.00 0.00 H new ATOM 0 HB3 LEU B 113 -0.714 -6.997 7.299 1.00 0.00 H new ATOM 0 HG LEU B 113 -2.405 -9.292 8.304 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -3.224 -9.565 5.995 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -3.761 -8.026 6.708 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -2.422 -8.044 5.536 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -1.076 -10.571 6.670 1.00 0.00 H new ATOM 0 HD22 LEU B 113 -0.191 -9.089 6.235 1.00 0.00 H new ATOM 0 HD23 LEU B 113 -0.043 -9.766 7.875 1.00 0.00 H new ATOM 1439 N GLU B 114 0.641 -5.550 9.936 1.00 0.00 N ATOM 1440 CA GLU B 114 0.954 -4.205 10.404 1.00 0.00 C ATOM 1441 C GLU B 114 0.503 -3.154 9.394 1.00 0.00 C ATOM 1442 O GLU B 114 0.176 -3.478 8.253 1.00 0.00 O ATOM 1443 CB GLU B 114 2.456 -4.068 10.663 1.00 0.00 C ATOM 1444 CG GLU B 114 2.950 -4.908 11.831 1.00 0.00 C ATOM 1445 CD GLU B 114 3.103 -4.101 13.105 1.00 0.00 C ATOM 1446 OE1 GLU B 114 2.486 -3.020 13.202 1.00 0.00 O ATOM 1447 OE2 GLU B 114 3.842 -4.550 14.007 1.00 0.00 O ATOM 0 H GLU B 114 1.452 -6.093 9.640 1.00 0.00 H new ATOM 0 HA GLU B 114 0.414 -4.040 11.336 1.00 0.00 H new ATOM 0 HB2 GLU B 114 2.999 -4.356 9.763 1.00 0.00 H new ATOM 0 HB3 GLU B 114 2.689 -3.021 10.855 1.00 0.00 H new ATOM 0 HG2 GLU B 114 2.252 -5.727 12.006 1.00 0.00 H new ATOM 0 HG3 GLU B 114 3.909 -5.356 11.572 1.00 0.00 H new ATOM 1454 N ILE B 115 0.488 -1.897 9.823 1.00 0.00 N ATOM 1455 CA ILE B 115 0.077 -0.799 8.957 1.00 0.00 C ATOM 1456 C ILE B 115 0.805 0.492 9.318 1.00 0.00 C ATOM 1457 O ILE B 115 0.907 0.851 10.491 1.00 0.00 O ATOM 1458 CB ILE B 115 -1.443 -0.555 9.039 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -2.203 -1.876 8.893 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -1.880 0.435 7.971 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -3.707 -1.719 8.965 1.00 0.00 C ATOM 0 H ILE B 115 0.756 -1.613 10.765 1.00 0.00 H new ATOM 0 HA ILE B 115 0.338 -1.088 7.939 1.00 0.00 H new ATOM 0 HB ILE B 115 -1.675 -0.130 10.016 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -1.939 -2.335 7.940 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -1.879 -2.561 9.677 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -2.956 0.596 8.043 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.361 1.382 8.118 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -1.638 0.038 6.985 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -4.180 -2.695 8.854 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -3.982 -1.289 9.928 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -4.043 -1.060 8.165 1.00 0.00 H new ATOM 1473 N THR B 116 1.311 1.187 8.302 1.00 0.00 N ATOM 1474 CA THR B 116 2.029 2.439 8.515 1.00 0.00 C ATOM 1475 C THR B 116 1.366 3.582 7.754 1.00 0.00 C ATOM 1476 O THR B 116 0.854 3.392 6.649 1.00 0.00 O ATOM 1477 CB THR B 116 3.488 2.296 8.075 1.00 0.00 C ATOM 1478 OG1 THR B 116 4.138 1.279 8.817 1.00 0.00 O ATOM 1479 CG2 THR B 116 4.294 3.567 8.241 1.00 0.00 C ATOM 0 H THR B 116 1.237 0.904 7.325 1.00 0.00 H new ATOM 0 HA THR B 116 1.999 2.670 9.580 1.00 0.00 H new ATOM 0 HB THR B 116 3.444 2.048 7.014 1.00 0.00 H new ATOM 0 HG1 THR B 116 3.605 0.458 8.783 1.00 0.00 H new ATOM 0 HG21 THR B 116 5.318 3.394 7.910 1.00 0.00 H new ATOM 0 HG22 THR B 116 3.848 4.361 7.642 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.297 3.862 9.290 1.00 0.00 H new ATOM 1487 N GLU B 117 1.379 4.769 8.352 1.00 0.00 N ATOM 1488 CA GLU B 117 0.780 5.945 7.731 1.00 0.00 C ATOM 1489 C GLU B 117 1.792 6.669 6.850 1.00 0.00 C ATOM 1490 O GLU B 117 2.990 6.671 7.134 1.00 0.00 O ATOM 1491 CB GLU B 117 0.249 6.897 8.804 1.00 0.00 C ATOM 1492 CG GLU B 117 -1.199 6.634 9.188 1.00 0.00 C ATOM 1493 CD GLU B 117 -1.712 7.612 10.228 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -1.295 7.503 11.401 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -2.529 8.484 9.870 1.00 0.00 O ATOM 0 H GLU B 117 1.798 4.942 9.266 1.00 0.00 H new ATOM 0 HA GLU B 117 -0.049 5.613 7.105 1.00 0.00 H new ATOM 0 HB2 GLU B 117 0.873 6.813 9.694 1.00 0.00 H new ATOM 0 HB3 GLU B 117 0.341 7.922 8.446 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -1.824 6.695 8.297 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -1.291 5.618 9.573 1.00 0.00 H new ATOM 1502 N LEU B 118 1.302 7.283 5.778 1.00 0.00 N ATOM 1503 CA LEU B 118 2.163 8.013 4.854 1.00 0.00 C ATOM 1504 C LEU B 118 1.573 9.380 4.524 1.00 0.00 C ATOM 1505 O LEU B 118 0.333 9.519 4.584 1.00 0.00 O ATOM 1506 CB LEU B 118 2.364 7.207 3.570 1.00 0.00 C ATOM 1507 CG LEU B 118 2.943 5.803 3.769 1.00 0.00 C ATOM 1508 CD1 LEU B 118 2.183 4.787 2.931 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.424 5.783 3.421 1.00 0.00 C ATOM 1510 OXT LEU B 118 2.357 10.300 4.209 1.00 0.00 O ATOM 0 H LEU B 118 0.313 7.290 5.528 1.00 0.00 H new ATOM 0 HA LEU B 118 3.129 8.163 5.337 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.404 7.119 3.061 1.00 0.00 H new ATOM 0 HB3 LEU B 118 3.026 7.766 2.908 1.00 0.00 H new ATOM 0 HG LEU B 118 2.833 5.531 4.819 1.00 0.00 H new ATOM 0 HD11 LEU B 118 2.609 3.796 3.086 1.00 0.00 H new ATOM 0 HD12 LEU B 118 1.134 4.782 3.228 1.00 0.00 H new ATOM 0 HD13 LEU B 118 2.260 5.054 1.877 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.819 4.778 3.568 1.00 0.00 H new ATOM 0 HD22 LEU B 118 4.557 6.076 2.380 1.00 0.00 H new ATOM 0 HD23 LEU B 118 4.959 6.481 4.066 1.00 0.00 H new TER 1522 LEU B 118