USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 722 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 91 SER OG : rot 24:sc= 0.454 USER MOD Set 1.2: A 93 THR OG1 : rot -86:sc= 0.886 USER MOD Set 1.3: A 94 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 26 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.045) USER MOD Set 2.2: A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 15 TYR OH : rot 150:sc= 0.341 USER MOD Set 3.2: A 17 ASN : amide:sc= 0.358 X(o=0.7,f=0.82) USER MOD Set 4.1: A 12 CYS SG : rot 85:sc= -0.145 USER MOD Set 4.2: A 50 HIS : no HD1:sc= -0.869 K(o=-1,f=-12!) USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= -0.0211 (180deg=-0.152) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.052) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.61 K(o=-0.61,f=-1.8) USER MOD Single : A 34 HIS : no HD1:sc= -4.17! C(o=-4.2!,f=-6.7!) USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= -0.011 (180deg=-0.0604) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.117 F(o=-1.3,f=-0.12) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.225 X(o=-0.22,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= -0.014 (180deg=-0.185) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.437 X(o=0.44,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0385 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 68:sc= 0.291 USER MOD Single : A 78 SER OG : rot 91:sc= 1.52 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 90 TYR OH : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 7 -1.270 -13.125 4.231 1.00 0.00 N ATOM 84 CA LYS A 7 -2.504 -12.632 3.588 1.00 0.00 C ATOM 85 C LYS A 7 -3.699 -13.526 3.987 1.00 0.00 C ATOM 86 O LYS A 7 -4.682 -13.634 3.246 1.00 0.00 O ATOM 87 CB LYS A 7 -2.323 -12.569 2.033 1.00 0.00 C ATOM 88 CG LYS A 7 -1.391 -11.434 1.545 1.00 0.00 C ATOM 89 CD LYS A 7 -1.266 -11.351 0.002 1.00 0.00 C ATOM 90 CE LYS A 7 -0.612 -12.598 -0.623 1.00 0.00 C ATOM 91 NZ LYS A 7 0.742 -12.853 -0.061 1.00 0.00 N ATOM 0 HA LYS A 7 -2.710 -11.619 3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.926 -13.523 1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.302 -12.444 1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.764 -10.482 1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.400 -11.580 1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.258 -11.214 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.680 -10.471 -0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.247 -13.467 -0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.539 -12.467 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.216 -13.591 -0.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.303 -11.978 -0.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.654 -13.169 0.926 1.00 0.00 H new ATOM 105 N ILE A 8 -3.625 -14.108 5.201 1.00 0.00 N ATOM 106 CA ILE A 8 -4.651 -15.043 5.729 1.00 0.00 C ATOM 107 C ILE A 8 -6.042 -14.371 5.804 1.00 0.00 C ATOM 108 O ILE A 8 -7.057 -14.969 5.426 1.00 0.00 O ATOM 109 CB ILE A 8 -4.238 -15.582 7.155 1.00 0.00 C ATOM 110 CG1 ILE A 8 -2.873 -16.332 7.088 1.00 0.00 C ATOM 111 CG2 ILE A 8 -5.332 -16.494 7.768 1.00 0.00 C ATOM 112 CD1 ILE A 8 -2.371 -16.862 8.419 1.00 0.00 C ATOM 0 H ILE A 8 -2.853 -13.946 5.847 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.713 -15.883 5.037 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.129 -14.717 7.809 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.967 -17.166 6.393 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.123 -15.657 6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.008 -16.843 8.748 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.259 -15.930 7.872 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.499 -17.351 7.115 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.417 -17.368 8.273 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.239 -16.033 9.114 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.096 -17.566 8.827 1.00 0.00 H new ATOM 124 N PHE A 9 -6.055 -13.113 6.265 1.00 0.00 N ATOM 125 CA PHE A 9 -7.289 -12.336 6.477 1.00 0.00 C ATOM 126 C PHE A 9 -7.359 -11.138 5.504 1.00 0.00 C ATOM 127 O PHE A 9 -8.144 -10.225 5.726 1.00 0.00 O ATOM 128 CB PHE A 9 -7.349 -11.846 7.957 1.00 0.00 C ATOM 129 CG PHE A 9 -7.243 -12.961 8.999 1.00 0.00 C ATOM 130 CD1 PHE A 9 -8.285 -13.875 9.176 1.00 0.00 C ATOM 131 CD2 PHE A 9 -6.100 -13.105 9.790 1.00 0.00 C ATOM 132 CE1 PHE A 9 -8.185 -14.891 10.108 1.00 0.00 C ATOM 133 CE2 PHE A 9 -6.002 -14.125 10.719 1.00 0.00 C ATOM 134 CZ PHE A 9 -7.044 -15.015 10.875 1.00 0.00 C ATOM 0 H PHE A 9 -5.206 -12.601 6.503 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.148 -12.977 6.278 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.542 -11.133 8.123 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.285 -11.310 8.111 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.179 -13.787 8.577 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.282 -12.410 9.674 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.000 -15.588 10.236 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.111 -14.224 11.321 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.967 -15.812 11.600 1.00 0.00 H new ATOM 144 N LYS A 10 -6.546 -11.163 4.423 1.00 0.00 N ATOM 145 CA LYS A 10 -6.303 -9.979 3.536 1.00 0.00 C ATOM 146 C LYS A 10 -7.623 -9.377 2.989 1.00 0.00 C ATOM 147 O LYS A 10 -7.894 -8.182 3.163 1.00 0.00 O ATOM 148 CB LYS A 10 -5.338 -10.382 2.371 1.00 0.00 C ATOM 149 CG LYS A 10 -4.485 -9.238 1.742 1.00 0.00 C ATOM 150 CD LYS A 10 -5.296 -8.208 0.923 1.00 0.00 C ATOM 151 CE LYS A 10 -4.420 -7.120 0.277 1.00 0.00 C ATOM 152 NZ LYS A 10 -5.243 -6.097 -0.424 1.00 0.00 N ATOM 0 H LYS A 10 -6.036 -11.998 4.133 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.833 -9.199 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.658 -11.149 2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.932 -10.838 1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.958 -8.715 2.540 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.727 -9.681 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.850 -8.730 0.143 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.031 -7.734 1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.814 -6.637 1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.731 -7.580 -0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.619 -5.380 -0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.802 -6.554 -1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.883 -5.641 0.257 1.00 0.00 H new ATOM 166 N ASN A 11 -8.434 -10.223 2.335 1.00 0.00 N ATOM 167 CA ASN A 11 -9.739 -9.816 1.748 1.00 0.00 C ATOM 168 C ASN A 11 -10.896 -10.033 2.749 1.00 0.00 C ATOM 169 O ASN A 11 -12.075 -10.010 2.372 1.00 0.00 O ATOM 170 CB ASN A 11 -9.994 -10.606 0.436 1.00 0.00 C ATOM 171 CG ASN A 11 -10.064 -12.119 0.653 1.00 0.00 C ATOM 172 OD1 ASN A 11 -11.138 -12.683 0.856 1.00 0.00 O ATOM 173 ND2 ASN A 11 -8.918 -12.781 0.617 1.00 0.00 N ATOM 0 H ASN A 11 -8.212 -11.209 2.193 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.698 -8.751 1.520 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.928 -10.265 -0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.199 -10.383 -0.276 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.908 -13.791 0.760 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.045 -12.281 0.446 1.00 0.00 H new ATOM 180 N CYS A 12 -10.543 -10.229 4.026 1.00 0.00 N ATOM 181 CA CYS A 12 -11.497 -10.501 5.109 1.00 0.00 C ATOM 182 C CYS A 12 -11.446 -9.369 6.149 1.00 0.00 C ATOM 183 O CYS A 12 -10.382 -9.062 6.720 1.00 0.00 O ATOM 184 CB CYS A 12 -11.172 -11.865 5.765 1.00 0.00 C ATOM 185 SG CYS A 12 -12.277 -12.345 7.109 1.00 0.00 S ATOM 0 H CYS A 12 -9.573 -10.203 4.340 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.506 -10.546 4.699 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.202 -12.637 4.997 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.151 -11.834 6.147 1.00 0.00 H new ATOM 0 HG CYS A 12 -13.329 -12.930 6.618 1.00 0.00 H new ATOM 191 N VAL A 13 -12.591 -8.711 6.350 1.00 0.00 N ATOM 192 CA VAL A 13 -12.788 -7.772 7.461 1.00 0.00 C ATOM 193 C VAL A 13 -13.356 -8.563 8.659 1.00 0.00 C ATOM 194 O VAL A 13 -14.273 -9.384 8.478 1.00 0.00 O ATOM 195 CB VAL A 13 -13.760 -6.596 7.077 1.00 0.00 C ATOM 196 CG1 VAL A 13 -13.840 -5.549 8.212 1.00 0.00 C ATOM 197 CG2 VAL A 13 -13.352 -5.932 5.738 1.00 0.00 C ATOM 0 H VAL A 13 -13.408 -8.813 5.748 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.830 -7.317 7.714 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.753 -7.025 6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.518 -4.747 7.920 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.210 -6.025 9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.848 -5.136 8.396 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.046 -5.124 5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.343 -5.529 5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.379 -6.675 4.940 1.00 0.00 H new ATOM 207 N ILE A 14 -12.804 -8.342 9.872 1.00 0.00 N ATOM 208 CA ILE A 14 -13.233 -9.054 11.095 1.00 0.00 C ATOM 209 C ILE A 14 -13.671 -8.045 12.190 1.00 0.00 C ATOM 210 O ILE A 14 -12.896 -7.195 12.611 1.00 0.00 O ATOM 211 CB ILE A 14 -12.108 -10.014 11.674 1.00 0.00 C ATOM 212 CG1 ILE A 14 -11.668 -11.134 10.659 1.00 0.00 C ATOM 213 CG2 ILE A 14 -12.553 -10.650 13.013 1.00 0.00 C ATOM 214 CD1 ILE A 14 -10.633 -10.714 9.634 1.00 0.00 C ATOM 0 H ILE A 14 -12.054 -7.670 10.030 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.080 -9.677 10.808 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.236 -9.384 11.849 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.273 -11.978 11.225 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.553 -11.490 10.132 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.763 -11.302 13.386 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -12.749 -9.864 13.742 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -13.461 -11.233 12.855 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.400 -11.558 8.985 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.027 -9.893 9.035 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.727 -10.388 10.144 1.00 0.00 H new ATOM 226 N TYR A 15 -14.915 -8.190 12.669 1.00 0.00 N ATOM 227 CA TYR A 15 -15.462 -7.441 13.815 1.00 0.00 C ATOM 228 C TYR A 15 -15.454 -8.377 15.018 1.00 0.00 C ATOM 229 O TYR A 15 -15.646 -9.568 14.860 1.00 0.00 O ATOM 230 CB TYR A 15 -16.912 -6.945 13.508 1.00 0.00 C ATOM 231 CG TYR A 15 -17.700 -6.368 14.709 1.00 0.00 C ATOM 232 CD1 TYR A 15 -17.250 -5.242 15.400 1.00 0.00 C ATOM 233 CD2 TYR A 15 -18.895 -6.956 15.153 1.00 0.00 C ATOM 234 CE1 TYR A 15 -17.956 -4.731 16.476 1.00 0.00 C ATOM 235 CE2 TYR A 15 -19.600 -6.441 16.226 1.00 0.00 C ATOM 236 CZ TYR A 15 -19.127 -5.329 16.884 1.00 0.00 C ATOM 237 OH TYR A 15 -19.821 -4.813 17.961 1.00 0.00 O ATOM 0 H TYR A 15 -15.585 -8.844 12.264 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.857 -6.558 14.018 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -16.857 -6.180 12.734 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -17.479 -7.778 13.093 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -16.334 -4.760 15.090 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -19.273 -7.831 14.645 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -17.587 -3.860 16.997 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -20.519 -6.910 16.546 1.00 0.00 H new ATOM 0 HH TYR A 15 -20.778 -4.993 17.850 1.00 0.00 H new ATOM 247 N ILE A 16 -15.186 -7.834 16.213 1.00 0.00 N ATOM 248 CA ILE A 16 -15.110 -8.618 17.458 1.00 0.00 C ATOM 249 C ILE A 16 -16.139 -8.056 18.448 1.00 0.00 C ATOM 250 O ILE A 16 -16.288 -6.832 18.552 1.00 0.00 O ATOM 251 CB ILE A 16 -13.650 -8.578 18.061 1.00 0.00 C ATOM 252 CG1 ILE A 16 -12.591 -8.943 16.961 1.00 0.00 C ATOM 253 CG2 ILE A 16 -13.525 -9.524 19.288 1.00 0.00 C ATOM 254 CD1 ILE A 16 -11.142 -8.785 17.385 1.00 0.00 C ATOM 0 H ILE A 16 -15.015 -6.837 16.346 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.338 -9.664 17.252 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.452 -7.563 18.404 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.752 -9.976 16.652 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.768 -8.317 16.086 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.510 -9.476 19.682 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.229 -9.214 20.060 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.748 -10.547 18.983 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.489 -9.061 16.557 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.956 -7.748 17.664 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.940 -9.432 18.238 1.00 0.00 H new ATOM 266 N ASN A 17 -16.855 -8.950 19.151 1.00 0.00 N ATOM 267 CA ASN A 17 -17.963 -8.583 20.054 1.00 0.00 C ATOM 268 C ASN A 17 -18.014 -9.569 21.237 1.00 0.00 C ATOM 269 O ASN A 17 -17.884 -10.784 21.040 1.00 0.00 O ATOM 270 CB ASN A 17 -19.304 -8.586 19.271 1.00 0.00 C ATOM 271 CG ASN A 17 -20.501 -8.077 20.089 1.00 0.00 C ATOM 272 OD1 ASN A 17 -21.200 -8.852 20.747 1.00 0.00 O ATOM 273 ND2 ASN A 17 -20.742 -6.770 20.052 1.00 0.00 N ATOM 0 H ASN A 17 -16.681 -9.954 19.109 1.00 0.00 H new ATOM 0 HA ASN A 17 -17.799 -7.580 20.447 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.195 -7.967 18.380 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -19.513 -9.600 18.931 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -21.524 -6.381 20.578 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -20.144 -6.157 19.498 1.00 0.00 H new ATOM 280 N GLY A 18 -18.200 -9.034 22.461 1.00 0.00 N ATOM 281 CA GLY A 18 -18.275 -9.852 23.682 1.00 0.00 C ATOM 282 C GLY A 18 -16.903 -10.282 24.203 1.00 0.00 C ATOM 283 O GLY A 18 -15.876 -10.018 23.564 1.00 0.00 O ATOM 0 H GLY A 18 -18.301 -8.033 22.627 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.791 -9.288 24.459 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.875 -10.740 23.481 1.00 0.00 H new ATOM 287 N TYR A 19 -16.892 -10.950 25.371 1.00 0.00 N ATOM 288 CA TYR A 19 -15.656 -11.444 25.997 1.00 0.00 C ATOM 289 C TYR A 19 -15.134 -12.669 25.234 1.00 0.00 C ATOM 290 O TYR A 19 -15.756 -13.733 25.236 1.00 0.00 O ATOM 291 CB TYR A 19 -15.894 -11.766 27.499 1.00 0.00 C ATOM 292 CG TYR A 19 -15.962 -10.514 28.392 1.00 0.00 C ATOM 293 CD1 TYR A 19 -17.040 -9.620 28.321 1.00 0.00 C ATOM 294 CD2 TYR A 19 -14.932 -10.212 29.287 1.00 0.00 C ATOM 295 CE1 TYR A 19 -17.078 -8.479 29.105 1.00 0.00 C ATOM 296 CE2 TYR A 19 -14.973 -9.078 30.072 1.00 0.00 C ATOM 297 CZ TYR A 19 -16.043 -8.216 29.981 1.00 0.00 C ATOM 298 OH TYR A 19 -16.071 -7.077 30.762 1.00 0.00 O ATOM 0 H TYR A 19 -17.736 -11.161 25.904 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.896 -10.665 25.946 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -16.824 -12.325 27.600 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.093 -12.413 27.855 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -17.855 -9.825 27.643 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -14.087 -10.880 29.366 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.913 -7.798 29.032 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -14.166 -8.866 30.758 1.00 0.00 H new ATOM 0 HH TYR A 19 -15.268 -7.045 31.323 1.00 0.00 H new ATOM 308 N THR A 20 -13.988 -12.477 24.575 1.00 0.00 N ATOM 309 CA THR A 20 -13.312 -13.487 23.752 1.00 0.00 C ATOM 310 C THR A 20 -11.845 -13.582 24.214 1.00 0.00 C ATOM 311 O THR A 20 -11.244 -12.548 24.531 1.00 0.00 O ATOM 312 CB THR A 20 -13.380 -13.081 22.238 1.00 0.00 C ATOM 313 OG1 THR A 20 -12.868 -11.752 22.062 1.00 0.00 O ATOM 314 CG2 THR A 20 -14.814 -13.133 21.685 1.00 0.00 C ATOM 0 H THR A 20 -13.489 -11.588 24.599 1.00 0.00 H new ATOM 0 HA THR A 20 -13.802 -14.454 23.866 1.00 0.00 H new ATOM 0 HB THR A 20 -12.774 -13.802 21.689 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.912 -11.507 21.114 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.809 -12.844 20.634 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.204 -14.146 21.781 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.446 -12.446 22.248 1.00 0.00 H new ATOM 322 N LYS A 21 -11.282 -14.811 24.314 1.00 0.00 N ATOM 323 CA LYS A 21 -9.847 -14.983 24.635 1.00 0.00 C ATOM 324 C LYS A 21 -9.053 -15.395 23.377 1.00 0.00 C ATOM 325 O LYS A 21 -9.460 -16.318 22.664 1.00 0.00 O ATOM 326 CB LYS A 21 -9.575 -15.981 25.796 1.00 0.00 C ATOM 327 CG LYS A 21 -10.218 -15.608 27.156 1.00 0.00 C ATOM 328 CD LYS A 21 -9.905 -14.163 27.635 1.00 0.00 C ATOM 329 CE LYS A 21 -8.400 -13.857 27.768 1.00 0.00 C ATOM 330 NZ LYS A 21 -7.710 -14.760 28.730 1.00 0.00 N ATOM 0 H LYS A 21 -11.792 -15.684 24.179 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.503 -14.010 24.985 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.938 -16.965 25.499 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.497 -16.067 25.934 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.299 -15.727 27.079 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.873 -16.312 27.913 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.348 -13.455 26.934 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.385 -13.999 28.600 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.928 -13.947 26.790 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.271 -12.824 28.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.702 -14.509 28.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.139 -14.657 29.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.806 -15.745 28.412 1.00 0.00 H new ATOM 344 N PRO A 22 -7.908 -14.700 23.066 1.00 0.00 N ATOM 345 CA PRO A 22 -7.399 -13.532 23.841 1.00 0.00 C ATOM 346 C PRO A 22 -8.205 -12.245 23.524 1.00 0.00 C ATOM 347 O PRO A 22 -9.057 -12.261 22.629 1.00 0.00 O ATOM 348 CB PRO A 22 -5.933 -13.448 23.379 1.00 0.00 C ATOM 349 CG PRO A 22 -5.987 -13.886 21.946 1.00 0.00 C ATOM 350 CD PRO A 22 -7.026 -14.992 21.904 1.00 0.00 C ATOM 0 HA PRO A 22 -7.495 -13.639 24.921 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.541 -12.436 23.474 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.288 -14.097 23.972 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.266 -13.059 21.292 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.015 -14.246 21.608 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.583 -14.981 20.967 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.565 -15.976 21.990 1.00 0.00 H new ATOM 358 N GLY A 23 -7.940 -11.159 24.287 1.00 0.00 N ATOM 359 CA GLY A 23 -8.708 -9.900 24.185 1.00 0.00 C ATOM 360 C GLY A 23 -8.790 -9.342 22.765 1.00 0.00 C ATOM 361 O GLY A 23 -7.910 -9.631 21.944 1.00 0.00 O ATOM 0 H GLY A 23 -7.195 -11.132 24.983 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.718 -10.070 24.558 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.251 -9.153 24.833 1.00 0.00 H new ATOM 365 N ARG A 24 -9.836 -8.531 22.479 1.00 0.00 N ATOM 366 CA ARG A 24 -10.104 -7.999 21.124 1.00 0.00 C ATOM 367 C ARG A 24 -8.894 -7.246 20.558 1.00 0.00 C ATOM 368 O ARG A 24 -8.626 -7.342 19.374 1.00 0.00 O ATOM 369 CB ARG A 24 -11.387 -7.113 21.087 1.00 0.00 C ATOM 370 CG ARG A 24 -11.284 -5.720 21.755 1.00 0.00 C ATOM 371 CD ARG A 24 -12.562 -4.881 21.579 1.00 0.00 C ATOM 372 NE ARG A 24 -12.390 -3.485 22.036 1.00 0.00 N ATOM 373 CZ ARG A 24 -13.363 -2.561 22.069 1.00 0.00 C ATOM 374 NH1 ARG A 24 -14.622 -2.881 21.794 1.00 0.00 N ATOM 375 NH2 ARG A 24 -13.079 -1.321 22.419 1.00 0.00 N ATOM 0 H ARG A 24 -10.514 -8.229 23.178 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.286 -8.860 20.481 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.674 -6.971 20.045 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.196 -7.663 21.568 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.080 -5.846 22.818 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.438 -5.180 21.330 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.852 -4.883 20.528 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.377 -5.344 22.136 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.461 -3.203 22.350 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.863 -3.842 21.553 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.348 -2.165 21.824 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.122 -1.067 22.664 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.816 -0.617 22.445 1.00 0.00 H new ATOM 389 N LEU A 25 -8.167 -6.525 21.427 1.00 0.00 N ATOM 390 CA LEU A 25 -6.935 -5.799 21.050 1.00 0.00 C ATOM 391 C LEU A 25 -5.855 -6.757 20.479 1.00 0.00 C ATOM 392 O LEU A 25 -5.186 -6.438 19.487 1.00 0.00 O ATOM 393 CB LEU A 25 -6.421 -4.954 22.268 1.00 0.00 C ATOM 394 CG LEU A 25 -6.324 -5.671 23.678 1.00 0.00 C ATOM 395 CD1 LEU A 25 -5.019 -6.470 23.871 1.00 0.00 C ATOM 396 CD2 LEU A 25 -6.529 -4.670 24.843 1.00 0.00 C ATOM 0 H LEU A 25 -8.414 -6.427 22.412 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.167 -5.105 20.242 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.431 -4.573 22.017 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.077 -4.090 22.376 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.138 -6.395 23.694 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.019 -6.934 24.857 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.949 -7.243 23.106 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.165 -5.798 23.787 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.456 -5.198 25.794 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.762 -3.897 24.797 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.514 -4.210 24.759 1.00 0.00 H new ATOM 408 N GLN A 26 -5.728 -7.940 21.101 1.00 0.00 N ATOM 409 CA GLN A 26 -4.731 -8.964 20.727 1.00 0.00 C ATOM 410 C GLN A 26 -5.145 -9.669 19.419 1.00 0.00 C ATOM 411 O GLN A 26 -4.318 -9.881 18.526 1.00 0.00 O ATOM 412 CB GLN A 26 -4.567 -9.985 21.888 1.00 0.00 C ATOM 413 CG GLN A 26 -3.437 -11.016 21.681 1.00 0.00 C ATOM 414 CD GLN A 26 -2.030 -10.405 21.548 1.00 0.00 C ATOM 415 OE1 GLN A 26 -1.180 -10.937 20.835 1.00 0.00 O ATOM 416 NE2 GLN A 26 -1.761 -9.314 22.263 1.00 0.00 N ATOM 0 H GLN A 26 -6.318 -8.218 21.885 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.769 -8.481 20.553 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.377 -9.438 22.812 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.508 -10.519 22.021 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.439 -11.712 22.520 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.653 -11.597 20.785 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.486 -8.894 22.845 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.830 -8.898 22.228 1.00 0.00 H new ATOM 425 N LEU A 27 -6.445 -10.012 19.329 1.00 0.00 N ATOM 426 CA LEU A 27 -7.058 -10.580 18.107 1.00 0.00 C ATOM 427 C LEU A 27 -6.906 -9.614 16.917 1.00 0.00 C ATOM 428 O LEU A 27 -6.630 -10.042 15.809 1.00 0.00 O ATOM 429 CB LEU A 27 -8.558 -10.871 18.343 1.00 0.00 C ATOM 430 CG LEU A 27 -8.899 -12.053 19.290 1.00 0.00 C ATOM 431 CD1 LEU A 27 -10.414 -12.094 19.607 1.00 0.00 C ATOM 432 CD2 LEU A 27 -8.418 -13.388 18.687 1.00 0.00 C ATOM 0 H LEU A 27 -7.102 -9.904 20.101 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.540 -11.511 17.875 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.020 -9.969 18.744 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.023 -11.064 17.376 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.371 -11.898 20.231 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.624 -12.932 20.272 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.710 -11.163 20.091 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.976 -12.216 18.681 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.666 -14.204 19.366 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.909 -13.552 17.728 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.338 -13.353 18.541 1.00 0.00 H new ATOM 444 N HIS A 28 -7.075 -8.307 17.194 1.00 0.00 N ATOM 445 CA HIS A 28 -6.948 -7.223 16.191 1.00 0.00 C ATOM 446 C HIS A 28 -5.530 -7.207 15.600 1.00 0.00 C ATOM 447 O HIS A 28 -5.361 -7.018 14.397 1.00 0.00 O ATOM 448 CB HIS A 28 -7.315 -5.844 16.821 1.00 0.00 C ATOM 449 CG HIS A 28 -8.792 -5.570 16.939 1.00 0.00 C ATOM 450 ND1 HIS A 28 -9.360 -4.987 18.049 1.00 0.00 N ATOM 451 CD2 HIS A 28 -9.811 -5.800 16.086 1.00 0.00 C ATOM 452 CE1 HIS A 28 -10.658 -4.867 17.872 1.00 0.00 C ATOM 453 NE2 HIS A 28 -10.964 -5.352 16.684 1.00 0.00 N ATOM 0 H HIS A 28 -7.306 -7.967 18.128 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.650 -7.413 15.379 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -6.870 -5.785 17.814 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.861 -5.055 16.221 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.734 -6.254 15.109 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.355 -4.443 18.580 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.899 -5.388 16.278 1.00 0.00 H new ATOM 462 N GLU A 29 -4.529 -7.445 16.462 1.00 0.00 N ATOM 463 CA GLU A 29 -3.116 -7.559 16.030 1.00 0.00 C ATOM 464 C GLU A 29 -2.901 -8.825 15.180 1.00 0.00 C ATOM 465 O GLU A 29 -2.207 -8.782 14.173 1.00 0.00 O ATOM 466 CB GLU A 29 -2.164 -7.551 17.251 1.00 0.00 C ATOM 467 CG GLU A 29 -2.169 -6.233 18.047 1.00 0.00 C ATOM 468 CD GLU A 29 -1.778 -5.006 17.202 1.00 0.00 C ATOM 469 OE1 GLU A 29 -0.570 -4.786 16.971 1.00 0.00 O ATOM 470 OE2 GLU A 29 -2.675 -4.247 16.780 1.00 0.00 O ATOM 0 H GLU A 29 -4.667 -7.563 17.466 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.883 -6.692 15.411 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.441 -8.367 17.919 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.149 -7.751 16.907 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.163 -6.074 18.466 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.479 -6.322 18.886 1.00 0.00 H new ATOM 477 N MET A 30 -3.523 -9.939 15.592 1.00 0.00 N ATOM 478 CA MET A 30 -3.468 -11.223 14.853 1.00 0.00 C ATOM 479 C MET A 30 -4.046 -11.088 13.428 1.00 0.00 C ATOM 480 O MET A 30 -3.619 -11.786 12.504 1.00 0.00 O ATOM 481 CB MET A 30 -4.221 -12.318 15.646 1.00 0.00 C ATOM 482 CG MET A 30 -3.524 -12.740 16.940 1.00 0.00 C ATOM 483 SD MET A 30 -1.869 -13.401 16.620 1.00 0.00 S ATOM 484 CE MET A 30 -1.300 -13.826 18.265 1.00 0.00 C ATOM 0 H MET A 30 -4.080 -9.982 16.446 1.00 0.00 H new ATOM 0 HA MET A 30 -2.421 -11.510 14.751 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.221 -11.956 15.886 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.343 -13.194 15.009 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.451 -11.884 17.611 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.125 -13.493 17.449 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.295 -14.243 18.206 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.286 -12.931 18.888 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.973 -14.563 18.704 1.00 0.00 H new ATOM 494 N ILE A 31 -5.042 -10.210 13.288 1.00 0.00 N ATOM 495 CA ILE A 31 -5.655 -9.882 11.985 1.00 0.00 C ATOM 496 C ILE A 31 -4.686 -9.055 11.107 1.00 0.00 C ATOM 497 O ILE A 31 -4.366 -9.453 9.980 1.00 0.00 O ATOM 498 CB ILE A 31 -7.006 -9.094 12.206 1.00 0.00 C ATOM 499 CG1 ILE A 31 -8.027 -9.948 13.029 1.00 0.00 C ATOM 500 CG2 ILE A 31 -7.631 -8.644 10.868 1.00 0.00 C ATOM 501 CD1 ILE A 31 -9.195 -9.160 13.616 1.00 0.00 C ATOM 0 H ILE A 31 -5.451 -9.702 14.072 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.869 -10.814 11.462 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.766 -8.198 12.778 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.424 -10.733 12.386 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.494 -10.441 13.842 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.559 -8.106 11.063 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.935 -7.990 10.343 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.841 -9.519 10.252 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.848 -9.835 14.168 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.814 -8.392 14.289 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.758 -8.689 12.810 1.00 0.00 H new ATOM 513 N VAL A 32 -4.172 -7.951 11.669 1.00 0.00 N ATOM 514 CA VAL A 32 -3.400 -6.936 10.914 1.00 0.00 C ATOM 515 C VAL A 32 -2.004 -7.454 10.508 1.00 0.00 C ATOM 516 O VAL A 32 -1.585 -7.286 9.357 1.00 0.00 O ATOM 517 CB VAL A 32 -3.278 -5.602 11.737 1.00 0.00 C ATOM 518 CG1 VAL A 32 -2.387 -4.569 11.013 1.00 0.00 C ATOM 519 CG2 VAL A 32 -4.679 -5.007 12.025 1.00 0.00 C ATOM 0 H VAL A 32 -4.276 -7.731 12.659 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.950 -6.731 9.996 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.801 -5.843 12.687 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.325 -3.660 11.611 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.388 -4.982 10.877 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.818 -4.335 10.040 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.572 -4.084 12.595 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.185 -4.795 11.083 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.267 -5.723 12.599 1.00 0.00 H new ATOM 529 N LEU A 33 -1.309 -8.104 11.454 1.00 0.00 N ATOM 530 CA LEU A 33 0.025 -8.716 11.223 1.00 0.00 C ATOM 531 C LEU A 33 -0.041 -9.859 10.170 1.00 0.00 C ATOM 532 O LEU A 33 0.990 -10.288 9.648 1.00 0.00 O ATOM 533 CB LEU A 33 0.628 -9.232 12.577 1.00 0.00 C ATOM 534 CG LEU A 33 1.395 -8.199 13.474 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.675 -7.690 12.779 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.493 -7.027 13.924 1.00 0.00 C ATOM 0 H LEU A 33 -1.651 -8.225 12.407 1.00 0.00 H new ATOM 0 HA LEU A 33 0.682 -7.946 10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.186 -9.651 13.169 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.311 -10.051 12.350 1.00 0.00 H new ATOM 0 HG LEU A 33 1.695 -8.730 14.378 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.182 -6.976 13.428 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.338 -8.531 12.577 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.410 -7.203 11.841 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.071 -6.340 14.542 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.118 -6.499 13.047 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.347 -7.415 14.500 1.00 0.00 H new ATOM 548 N HIS A 34 -1.265 -10.349 9.877 1.00 0.00 N ATOM 549 CA HIS A 34 -1.515 -11.362 8.827 1.00 0.00 C ATOM 550 C HIS A 34 -2.245 -10.741 7.616 1.00 0.00 C ATOM 551 O HIS A 34 -2.977 -11.426 6.883 1.00 0.00 O ATOM 552 CB HIS A 34 -2.259 -12.579 9.436 1.00 0.00 C ATOM 553 CG HIS A 34 -1.367 -13.373 10.358 1.00 0.00 C ATOM 554 ND1 HIS A 34 -0.738 -14.539 9.982 1.00 0.00 N ATOM 555 CD2 HIS A 34 -0.943 -13.124 11.618 1.00 0.00 C ATOM 556 CE1 HIS A 34 0.031 -14.964 10.960 1.00 0.00 C ATOM 557 NE2 HIS A 34 -0.071 -14.123 11.967 1.00 0.00 N ATOM 0 H HIS A 34 -2.111 -10.052 10.364 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.564 -11.728 8.441 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.134 -12.233 9.985 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.620 -13.223 8.634 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.238 -12.290 12.237 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.643 -15.853 10.940 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.417 -14.201 12.859 1.00 0.00 H new ATOM 566 N GLY A 35 -2.010 -9.422 7.427 1.00 0.00 N ATOM 567 CA GLY A 35 -2.407 -8.681 6.217 1.00 0.00 C ATOM 568 C GLY A 35 -3.884 -8.333 6.143 1.00 0.00 C ATOM 569 O GLY A 35 -4.358 -7.839 5.112 1.00 0.00 O ATOM 0 H GLY A 35 -1.535 -8.841 8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.827 -7.759 6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.143 -9.274 5.341 1.00 0.00 H new ATOM 573 N GLY A 36 -4.597 -8.548 7.253 1.00 0.00 N ATOM 574 CA GLY A 36 -6.052 -8.460 7.278 1.00 0.00 C ATOM 575 C GLY A 36 -6.591 -7.125 7.745 1.00 0.00 C ATOM 576 O GLY A 36 -5.828 -6.227 8.129 1.00 0.00 O ATOM 0 H GLY A 36 -4.180 -8.786 8.153 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.433 -8.661 6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.440 -9.243 7.930 1.00 0.00 H new ATOM 580 N LYS A 37 -7.933 -7.013 7.728 1.00 0.00 N ATOM 581 CA LYS A 37 -8.651 -5.799 8.145 1.00 0.00 C ATOM 582 C LYS A 37 -9.655 -6.137 9.252 1.00 0.00 C ATOM 583 O LYS A 37 -10.168 -7.258 9.313 1.00 0.00 O ATOM 584 CB LYS A 37 -9.370 -5.168 6.920 1.00 0.00 C ATOM 585 CG LYS A 37 -10.067 -3.815 7.212 1.00 0.00 C ATOM 586 CD LYS A 37 -10.593 -3.109 5.944 1.00 0.00 C ATOM 587 CE LYS A 37 -9.476 -2.840 4.919 1.00 0.00 C ATOM 588 NZ LYS A 37 -8.331 -2.079 5.500 1.00 0.00 N ATOM 0 H LYS A 37 -8.549 -7.766 7.423 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.939 -5.075 8.540 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.642 -5.023 6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.114 -5.873 6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.899 -3.984 7.896 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.364 -3.155 7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.366 -3.724 5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.061 -2.165 6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.113 -3.790 4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.887 -2.283 4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.665 -1.823 4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.685 -1.215 5.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.844 -2.669 6.205 1.00 0.00 H new ATOM 602 N PHE A 38 -9.916 -5.162 10.135 1.00 0.00 N ATOM 603 CA PHE A 38 -10.900 -5.291 11.217 1.00 0.00 C ATOM 604 C PHE A 38 -11.926 -4.148 11.148 1.00 0.00 C ATOM 605 O PHE A 38 -11.715 -3.158 10.440 1.00 0.00 O ATOM 606 CB PHE A 38 -10.197 -5.343 12.599 1.00 0.00 C ATOM 607 CG PHE A 38 -9.414 -4.088 12.991 1.00 0.00 C ATOM 608 CD1 PHE A 38 -8.087 -3.926 12.614 1.00 0.00 C ATOM 609 CD2 PHE A 38 -10.003 -3.077 13.756 1.00 0.00 C ATOM 610 CE1 PHE A 38 -7.376 -2.799 12.985 1.00 0.00 C ATOM 611 CE2 PHE A 38 -9.290 -1.954 14.124 1.00 0.00 C ATOM 612 CZ PHE A 38 -7.976 -1.815 13.739 1.00 0.00 C ATOM 0 H PHE A 38 -9.447 -4.257 10.117 1.00 0.00 H new ATOM 0 HA PHE A 38 -11.437 -6.231 11.089 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -10.951 -5.532 13.363 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.514 -6.193 12.607 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.604 -4.690 12.023 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.033 -3.176 14.064 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.345 -2.690 12.682 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.764 -1.184 14.715 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.417 -0.937 14.027 1.00 0.00 H new ATOM 622 N LEU A 39 -13.034 -4.296 11.898 1.00 0.00 N ATOM 623 CA LEU A 39 -14.119 -3.295 11.946 1.00 0.00 C ATOM 624 C LEU A 39 -14.473 -3.009 13.420 1.00 0.00 C ATOM 625 O LEU A 39 -14.473 -3.931 14.248 1.00 0.00 O ATOM 626 CB LEU A 39 -15.367 -3.792 11.121 1.00 0.00 C ATOM 627 CG LEU A 39 -16.044 -2.740 10.174 1.00 0.00 C ATOM 628 CD1 LEU A 39 -16.756 -1.621 10.955 1.00 0.00 C ATOM 629 CD2 LEU A 39 -15.019 -2.154 9.174 1.00 0.00 C ATOM 0 H LEU A 39 -13.203 -5.111 12.487 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.789 -2.364 11.485 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.059 -4.646 10.518 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.119 -4.152 11.823 1.00 0.00 H new ATOM 0 HG LEU A 39 -16.811 -3.269 9.609 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.208 -0.919 10.254 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -17.532 -2.055 11.586 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -16.033 -1.096 11.579 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.514 -1.428 8.529 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.215 -1.664 9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.605 -2.957 8.565 1.00 0.00 H new ATOM 641 N HIS A 40 -14.763 -1.727 13.727 1.00 0.00 N ATOM 642 CA HIS A 40 -15.053 -1.262 15.103 1.00 0.00 C ATOM 643 C HIS A 40 -16.523 -1.497 15.519 1.00 0.00 C ATOM 644 O HIS A 40 -16.789 -1.806 16.684 1.00 0.00 O ATOM 645 CB HIS A 40 -14.643 0.237 15.292 1.00 0.00 C ATOM 646 CG HIS A 40 -15.139 1.224 14.249 1.00 0.00 C ATOM 647 ND1 HIS A 40 -16.263 1.265 13.480 1.00 0.00 N flip ATOM 648 CD2 HIS A 40 -14.440 2.371 13.929 1.00 0.00 C flip ATOM 649 CE1 HIS A 40 -16.214 2.414 12.732 1.00 0.00 C flip ATOM 650 NE2 HIS A 40 -15.105 3.062 13.022 1.00 0.00 N flip ATOM 0 H HIS A 40 -14.803 -0.984 13.029 1.00 0.00 H new ATOM 0 HA HIS A 40 -14.442 -1.870 15.770 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -15.002 0.566 16.267 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.555 0.290 15.318 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -13.491 2.660 14.357 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -16.962 2.734 12.022 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -14.809 3.949 12.614 1.00 0.00 H new ATOM 659 N TYR A 41 -17.455 -1.365 14.555 1.00 0.00 N ATOM 660 CA TYR A 41 -18.912 -1.438 14.798 1.00 0.00 C ATOM 661 C TYR A 41 -19.666 -1.234 13.470 1.00 0.00 C ATOM 662 O TYR A 41 -19.262 -0.403 12.650 1.00 0.00 O ATOM 663 CB TYR A 41 -19.360 -0.361 15.834 1.00 0.00 C ATOM 664 CG TYR A 41 -20.807 -0.514 16.326 1.00 0.00 C ATOM 665 CD1 TYR A 41 -21.142 -1.485 17.277 1.00 0.00 C ATOM 666 CD2 TYR A 41 -21.832 0.307 15.846 1.00 0.00 C ATOM 667 CE1 TYR A 41 -22.440 -1.627 17.728 1.00 0.00 C ATOM 668 CE2 TYR A 41 -23.131 0.165 16.296 1.00 0.00 C ATOM 669 CZ TYR A 41 -23.428 -0.801 17.234 1.00 0.00 C ATOM 670 OH TYR A 41 -24.722 -0.938 17.686 1.00 0.00 O ATOM 0 H TYR A 41 -17.217 -1.203 13.576 1.00 0.00 H new ATOM 0 HA TYR A 41 -19.147 -2.421 15.206 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -18.691 -0.402 16.694 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -19.244 0.626 15.386 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -20.372 -2.135 17.665 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -21.605 1.065 15.111 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -22.680 -2.381 18.463 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -23.910 0.808 15.914 1.00 0.00 H new ATOM 0 HH TYR A 41 -25.296 -0.280 17.240 1.00 0.00 H new ATOM 743 N LYS A 46 -23.328 -3.570 5.958 1.00 0.00 N ATOM 744 CA LYS A 46 -22.536 -4.790 5.751 1.00 0.00 C ATOM 745 C LYS A 46 -21.095 -4.358 5.379 1.00 0.00 C ATOM 746 O LYS A 46 -20.725 -4.312 4.203 1.00 0.00 O ATOM 747 CB LYS A 46 -23.223 -5.680 4.645 1.00 0.00 C ATOM 748 CG LYS A 46 -22.966 -7.216 4.725 1.00 0.00 C ATOM 749 CD LYS A 46 -21.503 -7.639 4.439 1.00 0.00 C ATOM 750 CE LYS A 46 -21.054 -7.341 3.000 1.00 0.00 C ATOM 751 NZ LYS A 46 -19.593 -7.518 2.836 1.00 0.00 N ATOM 0 HA LYS A 46 -22.486 -5.403 6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -24.299 -5.512 4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.888 -5.329 3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -23.245 -7.567 5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -23.622 -7.719 4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -20.840 -7.122 5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -21.397 -8.707 4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -21.580 -8.001 2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -21.329 -6.320 2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -19.326 -7.308 1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -19.091 -6.871 3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -19.335 -8.499 3.063 1.00 0.00 H new ATOM 765 N THR A 47 -20.325 -3.962 6.411 1.00 0.00 N ATOM 766 CA THR A 47 -18.939 -3.464 6.262 1.00 0.00 C ATOM 767 C THR A 47 -17.917 -4.555 6.681 1.00 0.00 C ATOM 768 O THR A 47 -16.707 -4.421 6.452 1.00 0.00 O ATOM 769 CB THR A 47 -18.749 -2.154 7.116 1.00 0.00 C ATOM 770 OG1 THR A 47 -19.944 -1.360 7.042 1.00 0.00 O ATOM 771 CG2 THR A 47 -17.559 -1.297 6.637 1.00 0.00 C ATOM 0 H THR A 47 -20.647 -3.978 7.379 1.00 0.00 H new ATOM 0 HA THR A 47 -18.758 -3.226 5.214 1.00 0.00 H new ATOM 0 HB THR A 47 -18.544 -2.467 8.140 1.00 0.00 H new ATOM 0 HG1 THR A 47 -19.829 -0.545 7.574 1.00 0.00 H new ATOM 0 HG21 THR A 47 -17.476 -0.408 7.262 1.00 0.00 H new ATOM 0 HG22 THR A 47 -16.640 -1.878 6.709 1.00 0.00 H new ATOM 0 HG23 THR A 47 -17.719 -0.999 5.601 1.00 0.00 H new ATOM 779 N VAL A 48 -18.432 -5.656 7.269 1.00 0.00 N ATOM 780 CA VAL A 48 -17.616 -6.792 7.743 1.00 0.00 C ATOM 781 C VAL A 48 -18.106 -8.103 7.083 1.00 0.00 C ATOM 782 O VAL A 48 -19.229 -8.150 6.579 1.00 0.00 O ATOM 783 CB VAL A 48 -17.676 -6.889 9.322 1.00 0.00 C ATOM 784 CG1 VAL A 48 -19.048 -7.368 9.835 1.00 0.00 C ATOM 785 CG2 VAL A 48 -16.559 -7.770 9.885 1.00 0.00 C ATOM 0 H VAL A 48 -19.432 -5.781 7.429 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.576 -6.632 7.457 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.525 -5.873 9.687 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -19.033 -7.416 10.924 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -19.821 -6.670 9.513 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.262 -8.357 9.431 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.638 -7.808 10.971 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -16.650 -8.777 9.479 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.591 -7.353 9.607 1.00 0.00 H new ATOM 795 N THR A 49 -17.257 -9.153 7.057 1.00 0.00 N ATOM 796 CA THR A 49 -17.643 -10.496 6.546 1.00 0.00 C ATOM 797 C THR A 49 -17.638 -11.548 7.679 1.00 0.00 C ATOM 798 O THR A 49 -18.379 -12.531 7.608 1.00 0.00 O ATOM 799 CB THR A 49 -16.725 -10.961 5.357 1.00 0.00 C ATOM 800 OG1 THR A 49 -17.063 -12.299 4.943 1.00 0.00 O ATOM 801 CG2 THR A 49 -15.230 -10.890 5.702 1.00 0.00 C ATOM 0 H THR A 49 -16.293 -9.100 7.385 1.00 0.00 H new ATOM 0 HA THR A 49 -18.659 -10.408 6.162 1.00 0.00 H new ATOM 0 HB THR A 49 -16.908 -10.267 4.537 1.00 0.00 H new ATOM 0 HG1 THR A 49 -16.482 -12.569 4.202 1.00 0.00 H new ATOM 0 HG21 THR A 49 -14.643 -11.222 4.846 1.00 0.00 H new ATOM 0 HG22 THR A 49 -14.962 -9.863 5.949 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.023 -11.535 6.556 1.00 0.00 H new ATOM 809 N HIS A 50 -16.805 -11.342 8.724 1.00 0.00 N ATOM 810 CA HIS A 50 -16.685 -12.287 9.863 1.00 0.00 C ATOM 811 C HIS A 50 -16.795 -11.543 11.192 1.00 0.00 C ATOM 812 O HIS A 50 -16.105 -10.556 11.405 1.00 0.00 O ATOM 813 CB HIS A 50 -15.344 -13.071 9.808 1.00 0.00 C ATOM 814 CG HIS A 50 -15.287 -14.088 8.705 1.00 0.00 C ATOM 815 ND1 HIS A 50 -14.901 -13.778 7.423 1.00 0.00 N ATOM 816 CD2 HIS A 50 -15.598 -15.408 8.689 1.00 0.00 C ATOM 817 CE1 HIS A 50 -14.990 -14.846 6.665 1.00 0.00 C ATOM 818 NE2 HIS A 50 -15.402 -15.853 7.407 1.00 0.00 N ATOM 0 H HIS A 50 -16.201 -10.524 8.804 1.00 0.00 H new ATOM 0 HA HIS A 50 -17.504 -13.002 9.785 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -14.524 -12.364 9.681 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -15.187 -13.573 10.763 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -15.936 -15.998 9.528 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.763 -14.891 5.610 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.551 -16.808 7.081 1.00 0.00 H new ATOM 827 N ILE A 51 -17.665 -12.036 12.085 1.00 0.00 N ATOM 828 CA ILE A 51 -17.855 -11.476 13.435 1.00 0.00 C ATOM 829 C ILE A 51 -17.406 -12.510 14.473 1.00 0.00 C ATOM 830 O ILE A 51 -17.639 -13.692 14.307 1.00 0.00 O ATOM 831 CB ILE A 51 -19.347 -11.019 13.670 1.00 0.00 C ATOM 832 CG1 ILE A 51 -19.674 -9.820 12.719 1.00 0.00 C ATOM 833 CG2 ILE A 51 -19.628 -10.668 15.162 1.00 0.00 C ATOM 834 CD1 ILE A 51 -21.014 -9.148 12.945 1.00 0.00 C ATOM 0 H ILE A 51 -18.262 -12.840 11.891 1.00 0.00 H new ATOM 0 HA ILE A 51 -17.242 -10.581 13.540 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.008 -11.853 13.431 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -18.890 -9.071 12.826 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -19.636 -10.176 11.689 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -20.667 -10.359 15.274 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -19.441 -11.544 15.783 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -18.972 -9.855 15.474 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -21.137 -8.332 12.233 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -21.814 -9.875 12.805 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -21.056 -8.753 13.960 1.00 0.00 H new ATOM 846 N VAL A 52 -16.720 -12.040 15.513 1.00 0.00 N ATOM 847 CA VAL A 52 -16.162 -12.881 16.572 1.00 0.00 C ATOM 848 C VAL A 52 -17.016 -12.753 17.827 1.00 0.00 C ATOM 849 O VAL A 52 -17.404 -11.650 18.217 1.00 0.00 O ATOM 850 CB VAL A 52 -14.683 -12.468 16.894 1.00 0.00 C ATOM 851 CG1 VAL A 52 -14.053 -13.334 18.013 1.00 0.00 C ATOM 852 CG2 VAL A 52 -13.829 -12.509 15.622 1.00 0.00 C ATOM 0 H VAL A 52 -16.533 -11.046 15.646 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.163 -13.916 16.230 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.709 -11.445 17.271 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.030 -13.005 18.195 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.637 -13.228 18.927 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.049 -14.380 17.705 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.806 -12.220 15.861 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.834 -13.519 15.212 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.239 -11.817 14.886 1.00 0.00 H new ATOM 862 N ALA A 53 -17.296 -13.897 18.440 1.00 0.00 N ATOM 863 CA ALA A 53 -17.981 -13.988 19.720 1.00 0.00 C ATOM 864 C ALA A 53 -17.537 -15.265 20.429 1.00 0.00 C ATOM 865 O ALA A 53 -16.926 -16.148 19.814 1.00 0.00 O ATOM 866 CB ALA A 53 -19.507 -13.962 19.520 1.00 0.00 C ATOM 0 H ALA A 53 -17.047 -14.806 18.051 1.00 0.00 H new ATOM 0 HA ALA A 53 -17.721 -13.129 20.339 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -20.002 -14.031 20.489 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.794 -13.031 19.031 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -19.807 -14.806 18.898 1.00 0.00 H new ATOM 872 N SER A 54 -17.791 -15.338 21.734 1.00 0.00 N ATOM 873 CA SER A 54 -17.630 -16.577 22.508 1.00 0.00 C ATOM 874 C SER A 54 -19.012 -17.005 23.019 1.00 0.00 C ATOM 875 O SER A 54 -19.424 -18.158 22.867 1.00 0.00 O ATOM 876 CB SER A 54 -16.637 -16.373 23.667 1.00 0.00 C ATOM 877 OG SER A 54 -16.449 -17.565 24.410 1.00 0.00 O ATOM 0 H SER A 54 -18.114 -14.545 22.288 1.00 0.00 H new ATOM 0 HA SER A 54 -17.217 -17.364 21.876 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.679 -16.036 23.271 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.004 -15.587 24.327 1.00 0.00 H new ATOM 0 HG SER A 54 -15.812 -17.401 25.136 1.00 0.00 H new ATOM 883 N ASN A 55 -19.724 -16.038 23.619 1.00 0.00 N ATOM 884 CA ASN A 55 -21.131 -16.186 24.013 1.00 0.00 C ATOM 885 C ASN A 55 -21.948 -15.117 23.273 1.00 0.00 C ATOM 886 O ASN A 55 -21.786 -13.920 23.525 1.00 0.00 O ATOM 887 CB ASN A 55 -21.276 -16.048 25.557 1.00 0.00 C ATOM 888 CG ASN A 55 -22.719 -16.117 26.094 1.00 0.00 C ATOM 889 OD1 ASN A 55 -23.041 -15.477 27.096 1.00 0.00 O ATOM 890 ND2 ASN A 55 -23.585 -16.909 25.471 1.00 0.00 N ATOM 0 H ASN A 55 -19.334 -15.123 23.846 1.00 0.00 H new ATOM 0 HA ASN A 55 -21.503 -17.175 23.743 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -20.692 -16.836 26.032 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -20.838 -15.098 25.863 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -24.539 -16.997 25.821 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -23.296 -17.429 24.643 1.00 0.00 H new ATOM 897 N LEU A 56 -22.795 -15.566 22.334 1.00 0.00 N ATOM 898 CA LEU A 56 -23.653 -14.684 21.525 1.00 0.00 C ATOM 899 C LEU A 56 -25.095 -15.226 21.582 1.00 0.00 C ATOM 900 O LEU A 56 -25.309 -16.397 21.249 1.00 0.00 O ATOM 901 CB LEU A 56 -23.143 -14.619 20.049 1.00 0.00 C ATOM 902 CG LEU A 56 -23.668 -13.412 19.200 1.00 0.00 C ATOM 903 CD1 LEU A 56 -23.129 -12.060 19.734 1.00 0.00 C ATOM 904 CD2 LEU A 56 -23.349 -13.583 17.697 1.00 0.00 C ATOM 0 H LEU A 56 -22.905 -16.556 22.113 1.00 0.00 H new ATOM 0 HA LEU A 56 -23.623 -13.670 21.924 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.054 -14.583 20.062 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.426 -15.543 19.546 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.753 -13.401 19.305 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -23.515 -11.246 19.120 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -23.453 -11.921 20.765 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -22.040 -12.061 19.693 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.730 -12.724 17.144 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.270 -13.653 17.560 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.822 -14.492 17.326 1.00 0.00 H new ATOM 916 N PRO A 57 -26.102 -14.401 22.033 1.00 0.00 N ATOM 917 CA PRO A 57 -27.535 -14.809 22.068 1.00 0.00 C ATOM 918 C PRO A 57 -28.086 -15.146 20.664 1.00 0.00 C ATOM 919 O PRO A 57 -27.605 -14.602 19.667 1.00 0.00 O ATOM 920 CB PRO A 57 -28.250 -13.571 22.687 1.00 0.00 C ATOM 921 CG PRO A 57 -27.163 -12.842 23.420 1.00 0.00 C ATOM 922 CD PRO A 57 -25.930 -13.020 22.566 1.00 0.00 C ATOM 0 HA PRO A 57 -27.692 -15.722 22.642 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -28.699 -12.945 21.916 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -29.052 -13.871 23.361 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -27.409 -11.787 23.544 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -27.015 -13.254 24.418 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -25.880 -12.280 21.767 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -25.015 -12.922 23.150 1.00 0.00 H new ATOM 930 N LEU A 58 -29.097 -16.040 20.607 1.00 0.00 N ATOM 931 CA LEU A 58 -29.699 -16.517 19.337 1.00 0.00 C ATOM 932 C LEU A 58 -30.283 -15.356 18.506 1.00 0.00 C ATOM 933 O LEU A 58 -30.250 -15.401 17.278 1.00 0.00 O ATOM 934 CB LEU A 58 -30.785 -17.596 19.616 1.00 0.00 C ATOM 935 CG LEU A 58 -30.272 -18.931 20.253 1.00 0.00 C ATOM 936 CD1 LEU A 58 -31.435 -19.909 20.540 1.00 0.00 C ATOM 937 CD2 LEU A 58 -29.185 -19.586 19.370 1.00 0.00 C ATOM 0 H LEU A 58 -29.520 -16.453 21.438 1.00 0.00 H new ATOM 0 HA LEU A 58 -28.902 -16.969 18.747 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -31.537 -17.165 20.278 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -31.285 -17.832 18.677 1.00 0.00 H new ATOM 0 HG LEU A 58 -29.816 -18.685 21.212 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -31.040 -20.824 20.982 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -32.138 -19.446 21.233 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -31.948 -20.148 19.608 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -28.847 -20.511 19.836 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -29.599 -19.806 18.386 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -28.342 -18.903 19.265 1.00 0.00 H new ATOM 949 N LYS A 59 -30.794 -14.316 19.195 1.00 0.00 N ATOM 950 CA LYS A 59 -31.291 -13.074 18.549 1.00 0.00 C ATOM 951 C LYS A 59 -30.163 -12.384 17.751 1.00 0.00 C ATOM 952 O LYS A 59 -30.362 -11.944 16.615 1.00 0.00 O ATOM 953 CB LYS A 59 -31.861 -12.103 19.619 1.00 0.00 C ATOM 954 CG LYS A 59 -33.108 -12.621 20.370 1.00 0.00 C ATOM 955 CD LYS A 59 -34.320 -12.843 19.431 1.00 0.00 C ATOM 956 CE LYS A 59 -35.594 -13.247 20.189 1.00 0.00 C ATOM 957 NZ LYS A 59 -36.018 -12.204 21.162 1.00 0.00 N ATOM 0 H LYS A 59 -30.876 -14.308 20.212 1.00 0.00 H new ATOM 0 HA LYS A 59 -32.088 -13.343 17.856 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -31.079 -11.889 20.348 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -32.112 -11.159 19.135 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -32.863 -13.559 20.869 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -33.381 -11.908 21.148 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -34.511 -11.928 18.870 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -34.074 -13.617 18.704 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -36.399 -13.426 19.476 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -35.420 -14.185 20.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -36.971 -12.425 21.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -35.351 -12.181 21.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -36.029 -11.276 20.693 1.00 0.00 H new ATOM 971 N LYS A 60 -28.972 -12.329 18.371 1.00 0.00 N ATOM 972 CA LYS A 60 -27.774 -11.702 17.779 1.00 0.00 C ATOM 973 C LYS A 60 -27.160 -12.612 16.699 1.00 0.00 C ATOM 974 O LYS A 60 -26.541 -12.123 15.767 1.00 0.00 O ATOM 975 CB LYS A 60 -26.727 -11.395 18.878 1.00 0.00 C ATOM 976 CG LYS A 60 -27.232 -10.506 20.032 1.00 0.00 C ATOM 977 CD LYS A 60 -27.717 -9.117 19.565 1.00 0.00 C ATOM 978 CE LYS A 60 -28.168 -8.235 20.743 1.00 0.00 C ATOM 979 NZ LYS A 60 -28.668 -6.916 20.296 1.00 0.00 N ATOM 0 H LYS A 60 -28.811 -12.719 19.300 1.00 0.00 H new ATOM 0 HA LYS A 60 -28.076 -10.765 17.310 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -26.373 -12.338 19.295 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -25.868 -10.909 18.415 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -28.049 -11.015 20.543 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -26.431 -10.378 20.760 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -26.914 -8.616 19.024 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -28.545 -9.239 18.866 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -28.952 -8.749 21.300 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -27.332 -8.092 21.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -28.960 -6.357 21.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -27.913 -6.413 19.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -29.482 -7.050 19.663 1.00 0.00 H new ATOM 993 N ARG A 61 -27.341 -13.939 16.845 1.00 0.00 N ATOM 994 CA ARG A 61 -26.868 -14.929 15.850 1.00 0.00 C ATOM 995 C ARG A 61 -27.711 -14.855 14.559 1.00 0.00 C ATOM 996 O ARG A 61 -27.213 -15.149 13.477 1.00 0.00 O ATOM 997 CB ARG A 61 -26.875 -16.367 16.447 1.00 0.00 C ATOM 998 CG ARG A 61 -25.824 -16.586 17.566 1.00 0.00 C ATOM 999 CD ARG A 61 -25.749 -18.045 18.042 1.00 0.00 C ATOM 1000 NE ARG A 61 -24.648 -18.262 19.010 1.00 0.00 N ATOM 1001 CZ ARG A 61 -23.853 -19.349 19.060 1.00 0.00 C ATOM 1002 NH1 ARG A 61 -24.002 -20.356 18.204 1.00 0.00 N ATOM 1003 NH2 ARG A 61 -22.903 -19.420 19.979 1.00 0.00 N ATOM 0 H ARG A 61 -27.814 -14.355 17.647 1.00 0.00 H new ATOM 0 HA ARG A 61 -25.838 -14.684 15.591 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -27.867 -16.580 16.846 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -26.694 -17.084 15.646 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -24.844 -16.278 17.202 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -26.065 -15.945 18.414 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -26.696 -18.324 18.503 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -25.608 -18.699 17.182 1.00 0.00 H new ATOM 0 HE ARG A 61 -24.478 -17.527 19.696 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -24.730 -20.315 17.491 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -23.388 -21.169 18.261 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -22.777 -18.656 20.642 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -22.297 -20.239 20.024 1.00 0.00 H new ATOM 1017 N ILE A 62 -28.993 -14.455 14.698 1.00 0.00 N ATOM 1018 CA ILE A 62 -29.905 -14.216 13.554 1.00 0.00 C ATOM 1019 C ILE A 62 -29.639 -12.826 12.925 1.00 0.00 C ATOM 1020 O ILE A 62 -29.694 -12.671 11.694 1.00 0.00 O ATOM 1021 CB ILE A 62 -31.417 -14.364 13.999 1.00 0.00 C ATOM 1022 CG1 ILE A 62 -31.705 -15.838 14.444 1.00 0.00 C ATOM 1023 CG2 ILE A 62 -32.407 -13.919 12.890 1.00 0.00 C ATOM 1024 CD1 ILE A 62 -33.123 -16.106 14.935 1.00 0.00 C ATOM 0 H ILE A 62 -29.427 -14.288 15.606 1.00 0.00 H new ATOM 0 HA ILE A 62 -29.707 -14.972 12.794 1.00 0.00 H new ATOM 0 HB ILE A 62 -31.576 -13.697 14.846 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -31.498 -16.501 13.604 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -31.007 -16.103 15.238 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -33.430 -14.040 13.246 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -32.230 -12.872 12.643 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -32.257 -14.532 12.001 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -33.218 -17.154 15.218 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -33.334 -15.476 15.799 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -33.832 -15.880 14.139 1.00 0.00 H new ATOM 1036 N GLU A 63 -29.334 -11.832 13.781 1.00 0.00 N ATOM 1037 CA GLU A 63 -28.967 -10.465 13.340 1.00 0.00 C ATOM 1038 C GLU A 63 -27.685 -10.512 12.488 1.00 0.00 C ATOM 1039 O GLU A 63 -27.604 -9.924 11.405 1.00 0.00 O ATOM 1040 CB GLU A 63 -28.762 -9.539 14.579 1.00 0.00 C ATOM 1041 CG GLU A 63 -28.293 -8.094 14.273 1.00 0.00 C ATOM 1042 CD GLU A 63 -29.313 -7.242 13.485 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -29.373 -7.349 12.241 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -30.048 -6.446 14.106 1.00 0.00 O ATOM 0 H GLU A 63 -29.334 -11.949 14.794 1.00 0.00 H new ATOM 0 HA GLU A 63 -29.776 -10.059 12.732 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -29.702 -9.487 15.129 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -28.031 -10.005 15.240 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -28.069 -7.591 15.214 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -27.363 -8.140 13.707 1.00 0.00 H new ATOM 1051 N PHE A 64 -26.704 -11.267 12.990 1.00 0.00 N ATOM 1052 CA PHE A 64 -25.388 -11.405 12.366 1.00 0.00 C ATOM 1053 C PHE A 64 -25.300 -12.724 11.560 1.00 0.00 C ATOM 1054 O PHE A 64 -24.206 -13.187 11.238 1.00 0.00 O ATOM 1055 CB PHE A 64 -24.283 -11.312 13.460 1.00 0.00 C ATOM 1056 CG PHE A 64 -24.311 -10.033 14.314 1.00 0.00 C ATOM 1057 CD1 PHE A 64 -24.510 -8.777 13.732 1.00 0.00 C ATOM 1058 CD2 PHE A 64 -24.114 -10.086 15.699 1.00 0.00 C ATOM 1059 CE1 PHE A 64 -24.516 -7.624 14.502 1.00 0.00 C ATOM 1060 CE2 PHE A 64 -24.123 -8.935 16.465 1.00 0.00 C ATOM 1061 CZ PHE A 64 -24.324 -7.705 15.868 1.00 0.00 C ATOM 0 H PHE A 64 -26.804 -11.805 13.851 1.00 0.00 H new ATOM 0 HA PHE A 64 -25.233 -10.592 11.657 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -24.376 -12.173 14.122 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -23.309 -11.385 12.977 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -24.662 -8.704 12.665 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -23.952 -11.041 16.177 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -24.671 -6.663 14.034 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -23.973 -8.997 17.533 1.00 0.00 H new ATOM 0 HZ PHE A 64 -24.331 -6.808 16.469 1.00 0.00 H new ATOM 1071 N ALA A 65 -26.474 -13.308 11.208 1.00 0.00 N ATOM 1072 CA ALA A 65 -26.566 -14.441 10.249 1.00 0.00 C ATOM 1073 C ALA A 65 -26.279 -13.956 8.815 1.00 0.00 C ATOM 1074 O ALA A 65 -25.988 -14.756 7.921 1.00 0.00 O ATOM 1075 CB ALA A 65 -27.951 -15.108 10.314 1.00 0.00 C ATOM 0 H ALA A 65 -27.377 -13.010 11.577 1.00 0.00 H new ATOM 0 HA ALA A 65 -25.816 -15.181 10.529 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -27.991 -15.933 9.603 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -28.125 -15.488 11.321 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -28.719 -14.376 10.064 1.00 0.00 H new ATOM 1081 N ASN A 66 -26.398 -12.628 8.615 1.00 0.00 N ATOM 1082 CA ASN A 66 -25.999 -11.944 7.369 1.00 0.00 C ATOM 1083 C ASN A 66 -24.456 -11.926 7.233 1.00 0.00 C ATOM 1084 O ASN A 66 -23.914 -11.684 6.146 1.00 0.00 O ATOM 1085 CB ASN A 66 -26.565 -10.503 7.374 1.00 0.00 C ATOM 1086 CG ASN A 66 -28.099 -10.468 7.436 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -28.776 -10.502 6.408 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -28.658 -10.409 8.641 1.00 0.00 N ATOM 0 H ASN A 66 -26.777 -11.995 9.320 1.00 0.00 H new ATOM 0 HA ASN A 66 -26.405 -12.484 6.513 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -26.159 -9.961 8.228 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -26.230 -9.982 6.477 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -29.674 -10.391 8.732 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -28.071 -10.382 9.475 1.00 0.00 H new ATOM 1095 N TYR A 67 -23.765 -12.169 8.365 1.00 0.00 N ATOM 1096 CA TYR A 67 -22.305 -12.284 8.441 1.00 0.00 C ATOM 1097 C TYR A 67 -21.927 -13.735 8.805 1.00 0.00 C ATOM 1098 O TYR A 67 -22.801 -14.558 9.120 1.00 0.00 O ATOM 1099 CB TYR A 67 -21.758 -11.303 9.508 1.00 0.00 C ATOM 1100 CG TYR A 67 -22.246 -9.853 9.333 1.00 0.00 C ATOM 1101 CD1 TYR A 67 -21.747 -9.042 8.317 1.00 0.00 C ATOM 1102 CD2 TYR A 67 -23.206 -9.297 10.184 1.00 0.00 C ATOM 1103 CE1 TYR A 67 -22.180 -7.738 8.164 1.00 0.00 C ATOM 1104 CE2 TYR A 67 -23.641 -7.992 10.031 1.00 0.00 C ATOM 1105 CZ TYR A 67 -23.123 -7.216 9.020 1.00 0.00 C ATOM 1106 OH TYR A 67 -23.555 -5.916 8.859 1.00 0.00 O ATOM 0 H TYR A 67 -24.222 -12.293 9.269 1.00 0.00 H new ATOM 0 HA TYR A 67 -21.866 -12.031 7.476 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -22.050 -11.657 10.497 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.669 -11.316 9.474 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.008 -9.439 7.636 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -23.618 -9.900 10.980 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -21.777 -7.127 7.370 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -24.383 -7.585 10.702 1.00 0.00 H new ATOM 0 HH TYR A 67 -24.222 -5.706 9.545 1.00 0.00 H new ATOM 1116 N LYS A 68 -20.626 -14.044 8.738 1.00 0.00 N ATOM 1117 CA LYS A 68 -20.079 -15.350 9.143 1.00 0.00 C ATOM 1118 C LYS A 68 -19.495 -15.222 10.557 1.00 0.00 C ATOM 1119 O LYS A 68 -18.319 -14.876 10.732 1.00 0.00 O ATOM 1120 CB LYS A 68 -19.004 -15.861 8.130 1.00 0.00 C ATOM 1121 CG LYS A 68 -19.536 -16.323 6.743 1.00 0.00 C ATOM 1122 CD LYS A 68 -20.116 -15.184 5.872 1.00 0.00 C ATOM 1123 CE LYS A 68 -20.710 -15.703 4.550 1.00 0.00 C ATOM 1124 NZ LYS A 68 -21.432 -14.637 3.811 1.00 0.00 N ATOM 0 H LYS A 68 -19.917 -13.393 8.400 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.880 -16.089 9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.277 -15.065 7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.470 -16.694 8.587 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.724 -16.804 6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -20.308 -17.077 6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -20.889 -14.658 6.433 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -19.331 -14.460 5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -19.911 -16.101 3.924 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -21.393 -16.527 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -21.817 -15.027 2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -22.211 -14.274 4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -20.775 -13.862 3.590 1.00 0.00 H new ATOM 1138 N VAL A 69 -20.349 -15.437 11.568 1.00 0.00 N ATOM 1139 CA VAL A 69 -19.939 -15.401 12.983 1.00 0.00 C ATOM 1140 C VAL A 69 -19.146 -16.672 13.324 1.00 0.00 C ATOM 1141 O VAL A 69 -19.508 -17.769 12.891 1.00 0.00 O ATOM 1142 CB VAL A 69 -21.167 -15.263 13.957 1.00 0.00 C ATOM 1143 CG1 VAL A 69 -20.715 -15.099 15.436 1.00 0.00 C ATOM 1144 CG2 VAL A 69 -22.077 -14.097 13.526 1.00 0.00 C ATOM 0 H VAL A 69 -21.339 -15.640 11.431 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.313 -14.519 13.121 1.00 0.00 H new ATOM 0 HB VAL A 69 -21.741 -16.188 13.895 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -21.592 -15.007 16.076 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -20.135 -15.971 15.738 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -20.100 -14.204 15.532 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -22.920 -14.020 14.213 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -21.509 -13.167 13.542 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -22.447 -14.278 12.517 1.00 0.00 H new ATOM 1154 N VAL A 70 -18.059 -16.497 14.096 1.00 0.00 N ATOM 1155 CA VAL A 70 -17.100 -17.553 14.455 1.00 0.00 C ATOM 1156 C VAL A 70 -16.599 -17.333 15.899 1.00 0.00 C ATOM 1157 O VAL A 70 -16.987 -16.364 16.569 1.00 0.00 O ATOM 1158 CB VAL A 70 -15.859 -17.592 13.470 1.00 0.00 C ATOM 1159 CG1 VAL A 70 -16.261 -18.025 12.041 1.00 0.00 C ATOM 1160 CG2 VAL A 70 -15.121 -16.230 13.446 1.00 0.00 C ATOM 0 H VAL A 70 -17.818 -15.591 14.498 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.620 -18.508 14.376 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.173 -18.347 13.855 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.378 -18.037 11.402 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.699 -19.023 12.073 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -16.990 -17.321 11.639 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -14.274 -16.287 12.762 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.806 -15.451 13.112 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.763 -15.993 14.448 1.00 0.00 H new ATOM 1170 N SER A 71 -15.752 -18.261 16.363 1.00 0.00 N ATOM 1171 CA SER A 71 -15.038 -18.159 17.647 1.00 0.00 C ATOM 1172 C SER A 71 -13.702 -17.387 17.442 1.00 0.00 C ATOM 1173 O SER A 71 -13.224 -17.295 16.304 1.00 0.00 O ATOM 1174 CB SER A 71 -14.780 -19.592 18.187 1.00 0.00 C ATOM 1175 OG SER A 71 -15.998 -20.308 18.344 1.00 0.00 O ATOM 0 H SER A 71 -15.539 -19.117 15.851 1.00 0.00 H new ATOM 0 HA SER A 71 -15.636 -17.609 18.374 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.125 -20.129 17.502 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.262 -19.535 19.144 1.00 0.00 H new ATOM 0 HG SER A 71 -16.389 -20.486 17.463 1.00 0.00 H new ATOM 1181 N PRO A 72 -13.071 -16.811 18.530 1.00 0.00 N ATOM 1182 CA PRO A 72 -11.744 -16.128 18.426 1.00 0.00 C ATOM 1183 C PRO A 72 -10.638 -17.076 17.917 1.00 0.00 C ATOM 1184 O PRO A 72 -9.691 -16.648 17.257 1.00 0.00 O ATOM 1185 CB PRO A 72 -11.462 -15.659 19.882 1.00 0.00 C ATOM 1186 CG PRO A 72 -12.337 -16.524 20.739 1.00 0.00 C ATOM 1187 CD PRO A 72 -13.589 -16.754 19.927 1.00 0.00 C ATOM 0 HA PRO A 72 -11.756 -15.309 17.707 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.410 -15.781 20.140 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.701 -14.603 20.011 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.845 -17.467 20.978 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.567 -16.035 21.686 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.091 -17.679 20.210 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.310 -15.947 20.058 1.00 0.00 H new ATOM 1195 N ASP A 73 -10.820 -18.374 18.200 1.00 0.00 N ATOM 1196 CA ASP A 73 -9.882 -19.450 17.830 1.00 0.00 C ATOM 1197 C ASP A 73 -9.792 -19.636 16.306 1.00 0.00 C ATOM 1198 O ASP A 73 -8.866 -20.272 15.828 1.00 0.00 O ATOM 1199 CB ASP A 73 -10.320 -20.768 18.502 1.00 0.00 C ATOM 1200 CG ASP A 73 -10.438 -20.633 20.025 1.00 0.00 C ATOM 1201 OD1 ASP A 73 -11.517 -20.226 20.506 1.00 0.00 O ATOM 1202 OD2 ASP A 73 -9.448 -20.895 20.741 1.00 0.00 O ATOM 0 H ASP A 73 -11.639 -18.715 18.703 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.890 -19.167 18.181 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.280 -21.081 18.092 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.601 -21.552 18.263 1.00 0.00 H new ATOM 1207 N TRP A 74 -10.770 -19.099 15.544 1.00 0.00 N ATOM 1208 CA TRP A 74 -10.671 -19.052 14.069 1.00 0.00 C ATOM 1209 C TRP A 74 -9.470 -18.183 13.668 1.00 0.00 C ATOM 1210 O TRP A 74 -8.653 -18.580 12.839 1.00 0.00 O ATOM 1211 CB TRP A 74 -11.972 -18.504 13.427 1.00 0.00 C ATOM 1212 CG TRP A 74 -11.921 -18.433 11.912 1.00 0.00 C ATOM 1213 CD1 TRP A 74 -11.818 -19.487 11.046 1.00 0.00 C ATOM 1214 CD2 TRP A 74 -11.945 -17.251 11.091 1.00 0.00 C ATOM 1215 NE1 TRP A 74 -11.783 -19.031 9.753 1.00 0.00 N ATOM 1216 CE2 TRP A 74 -11.865 -17.669 9.753 1.00 0.00 C ATOM 1217 CE3 TRP A 74 -12.028 -15.884 11.361 1.00 0.00 C ATOM 1218 CZ2 TRP A 74 -11.868 -16.773 8.689 1.00 0.00 C ATOM 1219 CZ3 TRP A 74 -12.029 -14.993 10.305 1.00 0.00 C ATOM 1220 CH2 TRP A 74 -11.949 -15.443 8.980 1.00 0.00 C ATOM 0 H TRP A 74 -11.628 -18.696 15.921 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.529 -20.068 13.700 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -12.808 -19.137 13.724 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -12.170 -17.508 13.822 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.771 -20.526 11.338 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -11.708 -19.618 8.922 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -12.090 -15.529 12.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -11.808 -17.119 7.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -12.092 -13.933 10.504 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.952 -14.723 8.175 1.00 0.00 H new ATOM 1231 N ILE A 75 -9.365 -17.021 14.322 1.00 0.00 N ATOM 1232 CA ILE A 75 -8.317 -16.026 14.052 1.00 0.00 C ATOM 1233 C ILE A 75 -6.970 -16.574 14.567 1.00 0.00 C ATOM 1234 O ILE A 75 -5.992 -16.655 13.825 1.00 0.00 O ATOM 1235 CB ILE A 75 -8.629 -14.612 14.718 1.00 0.00 C ATOM 1236 CG1 ILE A 75 -9.987 -13.995 14.212 1.00 0.00 C ATOM 1237 CG2 ILE A 75 -7.467 -13.614 14.479 1.00 0.00 C ATOM 1238 CD1 ILE A 75 -11.248 -14.658 14.733 1.00 0.00 C ATOM 0 H ILE A 75 -10.010 -16.741 15.061 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.276 -15.859 12.976 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.729 -14.790 15.789 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.012 -12.941 14.490 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.000 -14.038 13.123 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.707 -12.658 14.944 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.551 -14.011 14.917 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.325 -13.471 13.408 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -12.122 -14.153 14.321 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.259 -15.706 14.432 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.271 -14.592 15.821 1.00 0.00 H new ATOM 1250 N VAL A 76 -6.994 -17.027 15.830 1.00 0.00 N ATOM 1251 CA VAL A 76 -5.801 -17.474 16.579 1.00 0.00 C ATOM 1252 C VAL A 76 -5.130 -18.693 15.916 1.00 0.00 C ATOM 1253 O VAL A 76 -3.923 -18.694 15.680 1.00 0.00 O ATOM 1254 CB VAL A 76 -6.186 -17.824 18.068 1.00 0.00 C ATOM 1255 CG1 VAL A 76 -4.960 -18.279 18.898 1.00 0.00 C ATOM 1256 CG2 VAL A 76 -6.877 -16.628 18.748 1.00 0.00 C ATOM 0 H VAL A 76 -7.856 -17.096 16.372 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.087 -16.651 16.571 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.883 -18.661 18.028 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.275 -18.509 19.916 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.523 -19.168 18.444 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.218 -17.480 18.919 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.134 -16.891 19.774 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.203 -15.772 18.751 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.785 -16.373 18.201 1.00 0.00 H new ATOM 1266 N ASP A 77 -5.934 -19.724 15.623 1.00 0.00 N ATOM 1267 CA ASP A 77 -5.435 -20.983 15.047 1.00 0.00 C ATOM 1268 C ASP A 77 -5.006 -20.810 13.585 1.00 0.00 C ATOM 1269 O ASP A 77 -4.061 -21.469 13.156 1.00 0.00 O ATOM 1270 CB ASP A 77 -6.460 -22.135 15.220 1.00 0.00 C ATOM 1271 CG ASP A 77 -6.567 -22.624 16.678 1.00 0.00 C ATOM 1272 OD1 ASP A 77 -7.126 -21.896 17.520 1.00 0.00 O ATOM 1273 OD2 ASP A 77 -6.041 -23.715 17.000 1.00 0.00 O ATOM 0 H ASP A 77 -6.942 -19.711 15.777 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.542 -21.263 15.606 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.440 -21.798 14.882 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.173 -22.970 14.581 1.00 0.00 H new ATOM 1278 N SER A 78 -5.692 -19.931 12.824 1.00 0.00 N ATOM 1279 CA SER A 78 -5.254 -19.580 11.450 1.00 0.00 C ATOM 1280 C SER A 78 -3.846 -18.932 11.472 1.00 0.00 C ATOM 1281 O SER A 78 -3.026 -19.181 10.582 1.00 0.00 O ATOM 1282 CB SER A 78 -6.272 -18.651 10.744 1.00 0.00 C ATOM 1283 OG SER A 78 -7.500 -19.318 10.476 1.00 0.00 O ATOM 0 H SER A 78 -6.541 -19.455 13.130 1.00 0.00 H new ATOM 0 HA SER A 78 -5.202 -20.506 10.877 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.461 -17.778 11.369 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.845 -18.287 9.810 1.00 0.00 H new ATOM 0 HG SER A 78 -8.113 -19.190 11.230 1.00 0.00 H new ATOM 1289 N VAL A 79 -3.586 -18.115 12.511 1.00 0.00 N ATOM 1290 CA VAL A 79 -2.262 -17.518 12.777 1.00 0.00 C ATOM 1291 C VAL A 79 -1.215 -18.612 13.109 1.00 0.00 C ATOM 1292 O VAL A 79 -0.119 -18.627 12.532 1.00 0.00 O ATOM 1293 CB VAL A 79 -2.372 -16.465 13.948 1.00 0.00 C ATOM 1294 CG1 VAL A 79 -0.992 -16.021 14.488 1.00 0.00 C ATOM 1295 CG2 VAL A 79 -3.211 -15.243 13.502 1.00 0.00 C ATOM 0 H VAL A 79 -4.294 -17.848 13.195 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.924 -17.004 11.877 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.881 -16.962 14.774 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.131 -15.297 15.291 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.455 -16.889 14.871 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.416 -15.564 13.683 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.276 -14.528 14.322 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.735 -14.769 12.644 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.213 -15.571 13.226 1.00 0.00 H new ATOM 1305 N LYS A 80 -1.588 -19.542 14.009 1.00 0.00 N ATOM 1306 CA LYS A 80 -0.674 -20.597 14.517 1.00 0.00 C ATOM 1307 C LYS A 80 -0.343 -21.651 13.435 1.00 0.00 C ATOM 1308 O LYS A 80 0.718 -22.280 13.486 1.00 0.00 O ATOM 1309 CB LYS A 80 -1.276 -21.284 15.777 1.00 0.00 C ATOM 1310 CG LYS A 80 -1.402 -20.360 17.014 1.00 0.00 C ATOM 1311 CD LYS A 80 -1.996 -21.076 18.256 1.00 0.00 C ATOM 1312 CE LYS A 80 -3.423 -21.587 18.016 1.00 0.00 C ATOM 1313 NZ LYS A 80 -4.010 -22.277 19.189 1.00 0.00 N ATOM 0 H LYS A 80 -2.526 -19.588 14.406 1.00 0.00 H new ATOM 0 HA LYS A 80 0.260 -20.108 14.792 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.263 -21.672 15.527 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.655 -22.140 16.040 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.418 -19.966 17.266 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.031 -19.507 16.759 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.355 -21.914 18.529 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.998 -20.388 19.101 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.060 -20.746 17.743 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.417 -22.271 17.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.973 -22.596 18.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.423 -23.099 19.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.046 -21.621 19.995 1.00 0.00 H new ATOM 1327 N GLU A 81 -1.248 -21.831 12.466 1.00 0.00 N ATOM 1328 CA GLU A 81 -1.043 -22.772 11.340 1.00 0.00 C ATOM 1329 C GLU A 81 -0.468 -22.049 10.105 1.00 0.00 C ATOM 1330 O GLU A 81 0.026 -22.706 9.178 1.00 0.00 O ATOM 1331 CB GLU A 81 -2.378 -23.472 10.980 1.00 0.00 C ATOM 1332 CG GLU A 81 -3.013 -24.302 12.118 1.00 0.00 C ATOM 1333 CD GLU A 81 -2.111 -25.438 12.629 1.00 0.00 C ATOM 1334 OE1 GLU A 81 -1.871 -26.401 11.877 1.00 0.00 O ATOM 1335 OE2 GLU A 81 -1.658 -25.386 13.789 1.00 0.00 O ATOM 0 H GLU A 81 -2.139 -21.336 12.433 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.320 -23.524 11.655 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.093 -22.713 10.662 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.208 -24.127 10.126 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.254 -23.639 12.949 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.953 -24.726 11.766 1.00 0.00 H new ATOM 1342 N ALA A 82 -0.561 -20.693 10.109 1.00 0.00 N ATOM 1343 CA ALA A 82 -0.139 -19.812 8.989 1.00 0.00 C ATOM 1344 C ALA A 82 -0.938 -20.106 7.690 1.00 0.00 C ATOM 1345 O ALA A 82 -0.471 -19.847 6.571 1.00 0.00 O ATOM 1346 CB ALA A 82 1.383 -19.881 8.767 1.00 0.00 C ATOM 0 H ALA A 82 -0.937 -20.174 10.903 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.375 -18.786 9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.660 -19.226 7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.898 -19.561 9.673 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.670 -20.905 8.529 1.00 0.00 H new ATOM 1352 N ARG A 83 -2.180 -20.584 7.880 1.00 0.00 N ATOM 1353 CA ARG A 83 -3.125 -20.900 6.796 1.00 0.00 C ATOM 1354 C ARG A 83 -4.549 -20.562 7.272 1.00 0.00 C ATOM 1355 O ARG A 83 -4.830 -20.653 8.472 1.00 0.00 O ATOM 1356 CB ARG A 83 -3.021 -22.408 6.393 1.00 0.00 C ATOM 1357 CG ARG A 83 -3.480 -23.388 7.493 1.00 0.00 C ATOM 1358 CD ARG A 83 -3.387 -24.876 7.101 1.00 0.00 C ATOM 1359 NE ARG A 83 -1.994 -25.362 7.023 1.00 0.00 N ATOM 1360 CZ ARG A 83 -1.429 -26.251 7.867 1.00 0.00 C ATOM 1361 NH1 ARG A 83 -2.096 -26.715 8.920 1.00 0.00 N ATOM 1362 NH2 ARG A 83 -0.188 -26.669 7.651 1.00 0.00 N ATOM 0 H ARG A 83 -2.562 -20.765 8.808 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.882 -20.307 5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.621 -22.576 5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.987 -22.632 6.130 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.876 -23.222 8.385 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.512 -23.159 7.759 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.935 -25.474 7.829 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.873 -25.024 6.137 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.412 -24.996 6.270 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.049 -26.399 9.099 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.654 -27.387 9.548 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.336 -26.318 6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.242 -27.341 8.287 1.00 0.00 H new ATOM 1376 N LEU A 84 -5.442 -20.164 6.344 1.00 0.00 N ATOM 1377 CA LEU A 84 -6.847 -19.859 6.674 1.00 0.00 C ATOM 1378 C LEU A 84 -7.606 -21.168 6.966 1.00 0.00 C ATOM 1379 O LEU A 84 -7.775 -22.007 6.076 1.00 0.00 O ATOM 1380 CB LEU A 84 -7.529 -19.058 5.525 1.00 0.00 C ATOM 1381 CG LEU A 84 -8.934 -18.455 5.856 1.00 0.00 C ATOM 1382 CD1 LEU A 84 -8.846 -17.454 7.031 1.00 0.00 C ATOM 1383 CD2 LEU A 84 -9.582 -17.803 4.609 1.00 0.00 C ATOM 0 H LEU A 84 -5.213 -20.046 5.357 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.873 -19.233 7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.866 -18.245 5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.631 -19.714 4.661 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.580 -19.277 6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.837 -17.050 7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.468 -17.965 7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.171 -16.640 6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.557 -17.395 4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.941 -17.001 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.705 -18.554 3.828 1.00 0.00 H new ATOM 1395 N LEU A 85 -8.003 -21.350 8.232 1.00 0.00 N ATOM 1396 CA LEU A 85 -8.740 -22.540 8.690 1.00 0.00 C ATOM 1397 C LEU A 85 -10.245 -22.386 8.424 1.00 0.00 C ATOM 1398 O LEU A 85 -10.723 -21.258 8.348 1.00 0.00 O ATOM 1399 CB LEU A 85 -8.453 -22.778 10.195 1.00 0.00 C ATOM 1400 CG LEU A 85 -6.962 -23.065 10.556 1.00 0.00 C ATOM 1401 CD1 LEU A 85 -6.815 -23.486 12.026 1.00 0.00 C ATOM 1402 CD2 LEU A 85 -6.340 -24.118 9.616 1.00 0.00 C ATOM 0 H LEU A 85 -7.822 -20.673 8.973 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.401 -23.411 8.129 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.782 -21.901 10.753 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.059 -23.618 10.535 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.412 -22.134 10.416 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.765 -23.679 12.246 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.180 -22.687 12.672 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.395 -24.391 12.205 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.302 -24.291 9.899 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.898 -25.051 9.695 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.381 -23.757 8.588 1.00 0.00 H new ATOM 1414 N PRO A 86 -11.015 -23.521 8.263 1.00 0.00 N ATOM 1415 CA PRO A 86 -12.473 -23.476 7.967 1.00 0.00 C ATOM 1416 C PRO A 86 -13.270 -22.697 9.040 1.00 0.00 C ATOM 1417 O PRO A 86 -13.216 -23.035 10.230 1.00 0.00 O ATOM 1418 CB PRO A 86 -12.881 -24.980 7.917 1.00 0.00 C ATOM 1419 CG PRO A 86 -11.802 -25.698 8.667 1.00 0.00 C ATOM 1420 CD PRO A 86 -10.536 -24.937 8.355 1.00 0.00 C ATOM 0 HA PRO A 86 -12.691 -22.946 7.040 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -13.856 -25.140 8.378 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.952 -25.336 6.889 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.004 -25.706 9.738 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.726 -26.738 8.350 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.787 -25.061 9.137 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.082 -25.272 7.422 1.00 0.00 H new ATOM 1428 N TRP A 87 -13.989 -21.641 8.597 1.00 0.00 N ATOM 1429 CA TRP A 87 -14.819 -20.805 9.485 1.00 0.00 C ATOM 1430 C TRP A 87 -15.970 -21.641 10.085 1.00 0.00 C ATOM 1431 O TRP A 87 -16.377 -21.408 11.216 1.00 0.00 O ATOM 1432 CB TRP A 87 -15.356 -19.538 8.742 1.00 0.00 C ATOM 1433 CG TRP A 87 -16.407 -19.802 7.683 1.00 0.00 C ATOM 1434 CD1 TRP A 87 -16.199 -20.086 6.364 1.00 0.00 C ATOM 1435 CD2 TRP A 87 -17.835 -19.806 7.865 1.00 0.00 C ATOM 1436 NE1 TRP A 87 -17.397 -20.280 5.727 1.00 0.00 N ATOM 1437 CE2 TRP A 87 -18.414 -20.114 6.625 1.00 0.00 C ATOM 1438 CE3 TRP A 87 -18.674 -19.585 8.962 1.00 0.00 C ATOM 1439 CZ2 TRP A 87 -19.793 -20.206 6.444 1.00 0.00 C ATOM 1440 CZ3 TRP A 87 -20.042 -19.679 8.783 1.00 0.00 C ATOM 1441 CH2 TRP A 87 -20.591 -19.986 7.533 1.00 0.00 C ATOM 0 H TRP A 87 -14.009 -21.348 7.620 1.00 0.00 H new ATOM 0 HA TRP A 87 -14.193 -20.451 10.304 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -15.773 -18.854 9.481 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -14.514 -19.028 8.275 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -15.230 -20.149 5.891 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -17.511 -20.511 4.740 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -18.261 -19.345 9.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -20.216 -20.442 5.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -20.699 -19.512 9.624 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -21.664 -20.050 7.426 1.00 0.00 H new ATOM 1452 N GLN A 88 -16.456 -22.631 9.293 1.00 0.00 N ATOM 1453 CA GLN A 88 -17.557 -23.541 9.684 1.00 0.00 C ATOM 1454 C GLN A 88 -17.190 -24.356 10.946 1.00 0.00 C ATOM 1455 O GLN A 88 -18.056 -24.668 11.767 1.00 0.00 O ATOM 1456 CB GLN A 88 -17.917 -24.494 8.503 1.00 0.00 C ATOM 1457 CG GLN A 88 -16.782 -25.443 8.061 1.00 0.00 C ATOM 1458 CD GLN A 88 -17.162 -26.359 6.891 1.00 0.00 C ATOM 1459 OE1 GLN A 88 -17.661 -27.464 7.095 1.00 0.00 O ATOM 1460 NE2 GLN A 88 -16.928 -25.907 5.665 1.00 0.00 N ATOM 0 H GLN A 88 -16.091 -22.819 8.359 1.00 0.00 H new ATOM 0 HA GLN A 88 -18.429 -22.932 9.923 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -18.781 -25.094 8.790 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -18.219 -23.890 7.647 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.913 -24.848 7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -16.484 -26.058 8.910 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.513 -24.985 5.532 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -17.164 -26.482 4.856 1.00 0.00 H new ATOM 1469 N ASN A 89 -15.885 -24.653 11.094 1.00 0.00 N ATOM 1470 CA ASN A 89 -15.347 -25.435 12.225 1.00 0.00 C ATOM 1471 C ASN A 89 -15.438 -24.627 13.543 1.00 0.00 C ATOM 1472 O ASN A 89 -15.504 -25.203 14.631 1.00 0.00 O ATOM 1473 CB ASN A 89 -13.877 -25.831 11.906 1.00 0.00 C ATOM 1474 CG ASN A 89 -13.227 -26.770 12.928 1.00 0.00 C ATOM 1475 OD1 ASN A 89 -13.899 -27.588 13.559 1.00 0.00 O ATOM 1476 ND2 ASN A 89 -11.912 -26.663 13.086 1.00 0.00 N ATOM 0 H ASN A 89 -15.170 -24.356 10.430 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.940 -26.340 12.361 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -13.849 -26.308 10.926 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -13.278 -24.923 11.836 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.427 -27.270 13.747 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.388 -25.974 12.546 1.00 0.00 H new ATOM 1483 N TYR A 90 -15.458 -23.286 13.421 1.00 0.00 N ATOM 1484 CA TYR A 90 -15.500 -22.352 14.573 1.00 0.00 C ATOM 1485 C TYR A 90 -16.811 -21.527 14.585 1.00 0.00 C ATOM 1486 O TYR A 90 -16.995 -20.671 15.453 1.00 0.00 O ATOM 1487 CB TYR A 90 -14.263 -21.411 14.518 1.00 0.00 C ATOM 1488 CG TYR A 90 -12.909 -22.154 14.508 1.00 0.00 C ATOM 1489 CD1 TYR A 90 -12.296 -22.561 15.697 1.00 0.00 C ATOM 1490 CD2 TYR A 90 -12.254 -22.447 13.307 1.00 0.00 C ATOM 1491 CE1 TYR A 90 -11.082 -23.231 15.684 1.00 0.00 C ATOM 1492 CE2 TYR A 90 -11.044 -23.113 13.293 1.00 0.00 C ATOM 1493 CZ TYR A 90 -10.461 -23.502 14.482 1.00 0.00 C ATOM 1494 OH TYR A 90 -9.258 -24.176 14.464 1.00 0.00 O ATOM 0 H TYR A 90 -15.446 -22.813 12.517 1.00 0.00 H new ATOM 0 HA TYR A 90 -15.474 -22.934 15.494 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.331 -20.790 13.625 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -14.291 -20.740 15.376 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -12.776 -22.350 16.641 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.703 -22.146 12.372 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.624 -23.540 16.612 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.555 -23.329 12.354 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.186 -24.695 13.636 1.00 0.00 H new ATOM 1504 N SER A 91 -17.728 -21.833 13.650 1.00 0.00 N ATOM 1505 CA SER A 91 -18.904 -20.989 13.345 1.00 0.00 C ATOM 1506 C SER A 91 -19.920 -20.912 14.502 1.00 0.00 C ATOM 1507 O SER A 91 -20.387 -21.940 15.007 1.00 0.00 O ATOM 1508 CB SER A 91 -19.610 -21.502 12.077 1.00 0.00 C ATOM 1509 OG SER A 91 -20.728 -20.697 11.753 1.00 0.00 O ATOM 0 H SER A 91 -17.676 -22.677 13.080 1.00 0.00 H new ATOM 0 HA SER A 91 -18.523 -19.980 13.188 1.00 0.00 H new ATOM 0 HB2 SER A 91 -18.908 -21.507 11.243 1.00 0.00 H new ATOM 0 HB3 SER A 91 -19.932 -22.532 12.228 1.00 0.00 H new ATOM 0 HG SER A 91 -20.608 -19.802 12.134 1.00 0.00 H new ATOM 1515 N LEU A 92 -20.262 -19.670 14.899 1.00 0.00 N ATOM 1516 CA LEU A 92 -21.308 -19.381 15.896 1.00 0.00 C ATOM 1517 C LEU A 92 -22.485 -18.622 15.235 1.00 0.00 C ATOM 1518 O LEU A 92 -23.191 -17.849 15.894 1.00 0.00 O ATOM 1519 CB LEU A 92 -20.703 -18.562 17.078 1.00 0.00 C ATOM 1520 CG LEU A 92 -19.485 -19.209 17.818 1.00 0.00 C ATOM 1521 CD1 LEU A 92 -19.078 -18.382 19.055 1.00 0.00 C ATOM 1522 CD2 LEU A 92 -19.762 -20.679 18.193 1.00 0.00 C ATOM 0 H LEU A 92 -19.814 -18.831 14.531 1.00 0.00 H new ATOM 0 HA LEU A 92 -21.695 -20.320 16.292 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -20.394 -17.589 16.697 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -21.491 -18.383 17.809 1.00 0.00 H new ATOM 0 HG LEU A 92 -18.644 -19.204 17.125 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -18.230 -18.857 19.547 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -18.800 -17.375 18.744 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -19.917 -18.329 19.749 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.894 -21.094 18.705 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -20.629 -20.729 18.851 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.959 -21.254 17.288 1.00 0.00 H new ATOM 1534 N THR A 93 -22.685 -18.861 13.921 1.00 0.00 N ATOM 1535 CA THR A 93 -23.803 -18.276 13.140 1.00 0.00 C ATOM 1536 C THR A 93 -25.164 -18.811 13.635 1.00 0.00 C ATOM 1537 O THR A 93 -26.162 -18.082 13.669 1.00 0.00 O ATOM 1538 CB THR A 93 -23.647 -18.602 11.614 1.00 0.00 C ATOM 1539 OG1 THR A 93 -23.492 -20.023 11.434 1.00 0.00 O ATOM 1540 CG2 THR A 93 -22.449 -17.880 10.977 1.00 0.00 C ATOM 0 H THR A 93 -22.077 -19.465 13.369 1.00 0.00 H new ATOM 0 HA THR A 93 -23.770 -17.196 13.284 1.00 0.00 H new ATOM 0 HB THR A 93 -24.550 -18.248 11.117 1.00 0.00 H new ATOM 0 HG1 THR A 93 -22.546 -20.263 11.524 1.00 0.00 H new ATOM 0 HG21 THR A 93 -22.387 -18.141 9.920 1.00 0.00 H new ATOM 0 HG22 THR A 93 -22.578 -16.802 11.078 1.00 0.00 H new ATOM 0 HG23 THR A 93 -21.531 -18.184 11.480 1.00 0.00 H new ATOM 1548 N SER A 94 -25.182 -20.101 13.985 1.00 0.00 N ATOM 1549 CA SER A 94 -26.375 -20.812 14.468 1.00 0.00 C ATOM 1550 C SER A 94 -26.064 -21.437 15.857 1.00 0.00 C ATOM 1551 O SER A 94 -25.179 -22.322 15.928 1.00 0.00 O ATOM 1552 CB SER A 94 -26.779 -21.896 13.433 1.00 0.00 C ATOM 1553 OG SER A 94 -26.994 -21.329 12.145 1.00 0.00 O ATOM 1554 OXT SER A 94 -26.682 -21.040 16.871 1.00 0.00 O ATOM 0 H SER A 94 -24.353 -20.694 13.940 1.00 0.00 H new ATOM 0 HA SER A 94 -27.213 -20.124 14.581 1.00 0.00 H new ATOM 0 HB2 SER A 94 -25.997 -22.653 13.373 1.00 0.00 H new ATOM 0 HB3 SER A 94 -27.686 -22.400 13.767 1.00 0.00 H new ATOM 0 HG SER A 94 -27.245 -22.036 11.514 1.00 0.00 H new