USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 725 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 Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc=-0.00384 X(o=-0.0038,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.963 K(o=-0.96,f=0.86) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 34:sc= -1.39! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc=-0.00955 X(o=-0.0096,f=-0.38) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -3.73! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 57:sc= 0.106 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -5.02! C(o=-5!,f=-5.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -123:sc= -1.63 (180deg=-2.19) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.893 -10.497 2.368 1.00 0.00 N ATOM 60 CA GLY A 7 0.862 -10.443 0.916 1.00 0.00 C ATOM 61 C GLY A 7 0.165 -9.170 0.430 1.00 0.00 C ATOM 62 O GLY A 7 0.825 -8.203 0.053 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.879 -10.477 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.342 -11.318 0.527 1.00 0.00 H new ATOM 66 N LEU A 8 -1.159 -9.213 0.454 1.00 0.00 N ATOM 67 CA LEU A 8 -1.952 -8.076 0.020 1.00 0.00 C ATOM 68 C LEU A 8 -1.527 -6.833 0.806 1.00 0.00 C ATOM 69 O LEU A 8 -1.410 -5.747 0.241 1.00 0.00 O ATOM 70 CB LEU A 8 -3.445 -8.391 0.129 1.00 0.00 C ATOM 71 CG LEU A 8 -3.925 -9.633 -0.625 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.189 -9.783 -1.958 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.799 -10.885 0.244 1.00 0.00 C ATOM 0 H LEU A 8 -1.702 -10.017 0.767 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.770 -7.865 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.695 -8.511 1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.005 -7.530 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.983 -9.506 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.549 -10.673 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.374 -8.905 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.119 -9.878 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.147 -11.753 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.756 -11.029 0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.404 -10.767 1.143 1.00 0.00 H new ATOM 85 N LYS A 9 -1.307 -7.035 2.097 1.00 0.00 N ATOM 86 CA LYS A 9 -0.898 -5.945 2.966 1.00 0.00 C ATOM 87 C LYS A 9 0.148 -5.090 2.246 1.00 0.00 C ATOM 88 O LYS A 9 -0.039 -3.886 2.079 1.00 0.00 O ATOM 89 CB LYS A 9 -0.426 -6.486 4.317 1.00 0.00 C ATOM 90 CG LYS A 9 -1.432 -6.156 5.421 1.00 0.00 C ATOM 91 CD LYS A 9 -0.822 -6.383 6.806 1.00 0.00 C ATOM 92 CE LYS A 9 -1.744 -7.238 7.678 1.00 0.00 C ATOM 93 NZ LYS A 9 -1.304 -8.651 7.668 1.00 0.00 N ATOM 0 H LYS A 9 -1.404 -7.938 2.562 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.745 -5.295 3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.291 -7.566 4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.545 -6.058 4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.753 -5.119 5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.321 -6.776 5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.146 -6.873 6.705 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.644 -5.423 7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.743 -6.858 8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.768 -7.167 7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.941 -9.217 8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.327 -9.015 6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.334 -8.715 8.038 1.00 0.00 H new ATOM 107 N GLN A 10 1.225 -5.747 1.840 1.00 0.00 N ATOM 108 CA GLN A 10 2.300 -5.062 1.143 1.00 0.00 C ATOM 109 C GLN A 10 1.820 -4.579 -0.228 1.00 0.00 C ATOM 110 O GLN A 10 1.766 -3.377 -0.482 1.00 0.00 O ATOM 111 CB GLN A 10 3.528 -5.964 1.007 1.00 0.00 C ATOM 112 CG GLN A 10 4.401 -5.528 -0.171 1.00 0.00 C ATOM 113 CD GLN A 10 5.886 -5.705 0.153 1.00 0.00 C ATOM 114 OE1 GLN A 10 6.411 -6.805 0.204 1.00 0.00 O ATOM 115 NE2 GLN A 10 6.532 -4.562 0.369 1.00 0.00 N ATOM 0 H GLN A 10 1.376 -6.746 1.980 1.00 0.00 H new ATOM 0 HA GLN A 10 2.592 -4.192 1.732 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.111 -5.932 1.928 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.211 -6.997 0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.145 -6.113 -1.054 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.199 -4.484 -0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.032 -3.675 0.311 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.527 -4.573 0.593 1.00 0.00 H new ATOM 124 N LYS A 11 1.484 -5.541 -1.075 1.00 0.00 N ATOM 125 CA LYS A 11 1.011 -5.230 -2.413 1.00 0.00 C ATOM 126 C LYS A 11 0.109 -3.996 -2.355 1.00 0.00 C ATOM 127 O LYS A 11 0.277 -3.062 -3.137 1.00 0.00 O ATOM 128 CB LYS A 11 0.342 -6.453 -3.043 1.00 0.00 C ATOM 129 CG LYS A 11 1.322 -7.624 -3.142 1.00 0.00 C ATOM 130 CD LYS A 11 0.665 -8.928 -2.685 1.00 0.00 C ATOM 131 CE LYS A 11 0.403 -9.855 -3.874 1.00 0.00 C ATOM 132 NZ LYS A 11 1.403 -10.946 -3.910 1.00 0.00 N ATOM 0 H LYS A 11 1.530 -6.537 -0.860 1.00 0.00 H new ATOM 0 HA LYS A 11 1.848 -4.983 -3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.522 -6.747 -2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.028 -6.198 -4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.668 -7.728 -4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.200 -7.421 -2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.308 -9.430 -1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.274 -8.708 -2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.600 -10.275 -3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.443 -9.286 -4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.211 -11.566 -4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.356 -10.540 -4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.345 -11.499 -3.031 1.00 0.00 H new ATOM 146 N VAL A 12 -0.830 -4.032 -1.421 1.00 0.00 N ATOM 147 CA VAL A 12 -1.760 -2.928 -1.251 1.00 0.00 C ATOM 148 C VAL A 12 -0.992 -1.685 -0.798 1.00 0.00 C ATOM 149 O VAL A 12 -1.189 -0.598 -1.339 1.00 0.00 O ATOM 150 CB VAL A 12 -2.875 -3.328 -0.282 1.00 0.00 C ATOM 151 CG1 VAL A 12 -3.788 -2.138 0.024 1.00 0.00 C ATOM 152 CG2 VAL A 12 -3.679 -4.509 -0.829 1.00 0.00 C ATOM 0 H VAL A 12 -0.967 -4.808 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.242 -2.685 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.410 -3.643 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.572 -2.449 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.203 -1.337 0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.240 -1.779 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.465 -4.773 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.128 -4.233 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.018 -5.364 -0.973 1.00 0.00 H new ATOM 162 N GLU A 13 -0.132 -1.887 0.189 1.00 0.00 N ATOM 163 CA GLU A 13 0.667 -0.796 0.721 1.00 0.00 C ATOM 164 C GLU A 13 1.314 -0.007 -0.420 1.00 0.00 C ATOM 165 O GLU A 13 1.182 1.214 -0.488 1.00 0.00 O ATOM 166 CB GLU A 13 1.724 -1.315 1.697 1.00 0.00 C ATOM 167 CG GLU A 13 1.188 -1.329 3.130 1.00 0.00 C ATOM 168 CD GLU A 13 2.278 -0.931 4.127 1.00 0.00 C ATOM 169 OE1 GLU A 13 3.396 -1.473 3.991 1.00 0.00 O ATOM 170 OE2 GLU A 13 1.968 -0.095 5.003 1.00 0.00 O ATOM 0 H GLU A 13 0.029 -2.790 0.635 1.00 0.00 H new ATOM 0 HA GLU A 13 0.009 -0.125 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.027 -2.321 1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.613 -0.687 1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.345 -0.643 3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.814 -2.324 3.372 1.00 0.00 H new ATOM 177 N ASN A 14 2.000 -0.737 -1.287 1.00 0.00 N ATOM 178 CA ASN A 14 2.667 -0.121 -2.421 1.00 0.00 C ATOM 179 C ASN A 14 1.621 0.508 -3.343 1.00 0.00 C ATOM 180 O ASN A 14 1.775 1.650 -3.774 1.00 0.00 O ATOM 181 CB ASN A 14 3.448 -1.159 -3.230 1.00 0.00 C ATOM 182 CG ASN A 14 4.903 -1.236 -2.764 1.00 0.00 C ATOM 183 OD1 ASN A 14 5.740 -0.424 -3.120 1.00 0.00 O ATOM 184 ND2 ASN A 14 5.156 -2.257 -1.949 1.00 0.00 N ATOM 0 H ASN A 14 2.108 -1.749 -1.227 1.00 0.00 H new ATOM 0 HA ASN A 14 3.356 0.632 -2.039 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.977 -2.136 -3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.415 -0.901 -4.288 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.098 -2.396 -1.583 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.408 -2.901 -1.691 1.00 0.00 H new ATOM 191 N LEU A 15 0.581 -0.264 -3.618 1.00 0.00 N ATOM 192 CA LEU A 15 -0.491 0.204 -4.481 1.00 0.00 C ATOM 193 C LEU A 15 -0.789 1.671 -4.167 1.00 0.00 C ATOM 194 O LEU A 15 -0.573 2.546 -5.004 1.00 0.00 O ATOM 195 CB LEU A 15 -1.711 -0.711 -4.364 1.00 0.00 C ATOM 196 CG LEU A 15 -3.075 -0.031 -4.502 1.00 0.00 C ATOM 197 CD1 LEU A 15 -3.257 0.553 -5.905 1.00 0.00 C ATOM 198 CD2 LEU A 15 -4.207 -0.991 -4.130 1.00 0.00 C ATOM 0 H LEU A 15 0.457 -1.211 -3.259 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.186 0.158 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.634 -1.485 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.673 -1.212 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.114 0.801 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.234 1.030 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.478 1.291 -6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.189 -0.246 -6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.165 -0.482 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.181 -1.858 -4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.083 -1.318 -3.098 1.00 0.00 H new ATOM 210 N PHE A 16 -1.282 1.895 -2.957 1.00 0.00 N ATOM 211 CA PHE A 16 -1.612 3.241 -2.522 1.00 0.00 C ATOM 212 C PHE A 16 -0.437 4.195 -2.746 1.00 0.00 C ATOM 213 O PHE A 16 -0.548 5.155 -3.506 1.00 0.00 O ATOM 214 CB PHE A 16 -1.913 3.165 -1.023 1.00 0.00 C ATOM 215 CG PHE A 16 -3.117 2.289 -0.674 1.00 0.00 C ATOM 216 CD1 PHE A 16 -4.178 2.221 -1.523 1.00 0.00 C ATOM 217 CD2 PHE A 16 -3.127 1.577 0.485 1.00 0.00 C ATOM 218 CE1 PHE A 16 -5.296 1.407 -1.199 1.00 0.00 C ATOM 219 CE2 PHE A 16 -4.245 0.763 0.809 1.00 0.00 C ATOM 220 CZ PHE A 16 -5.305 0.695 -0.040 1.00 0.00 C ATOM 0 H PHE A 16 -1.461 1.167 -2.265 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.463 3.617 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.034 2.780 -0.505 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.089 4.173 -0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.170 2.786 -2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.285 1.631 1.159 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -6.139 1.353 -1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.253 0.198 1.729 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.155 0.075 0.206 1.00 0.00 H new ATOM 230 N ASN A 17 0.663 3.896 -2.070 1.00 0.00 N ATOM 231 CA ASN A 17 1.858 4.714 -2.186 1.00 0.00 C ATOM 232 C ASN A 17 2.097 5.055 -3.659 1.00 0.00 C ATOM 233 O ASN A 17 2.109 6.226 -4.034 1.00 0.00 O ATOM 234 CB ASN A 17 3.089 3.968 -1.668 1.00 0.00 C ATOM 235 CG ASN A 17 3.131 3.975 -0.139 1.00 0.00 C ATOM 236 OD1 ASN A 17 2.389 3.276 0.532 1.00 0.00 O ATOM 237 ND2 ASN A 17 4.038 4.802 0.373 1.00 0.00 N ATOM 0 H ASN A 17 0.751 3.099 -1.440 1.00 0.00 H new ATOM 0 HA ASN A 17 1.707 5.616 -1.593 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.075 2.940 -2.030 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.993 4.433 -2.062 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.144 4.879 1.384 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.627 5.359 -0.246 1.00 0.00 H new ATOM 244 N GLU A 18 2.280 4.010 -4.453 1.00 0.00 N ATOM 245 CA GLU A 18 2.518 4.184 -5.875 1.00 0.00 C ATOM 246 C GLU A 18 1.493 5.151 -6.470 1.00 0.00 C ATOM 247 O GLU A 18 1.859 6.194 -7.010 1.00 0.00 O ATOM 248 CB GLU A 18 2.490 2.839 -6.604 1.00 0.00 C ATOM 249 CG GLU A 18 3.901 2.402 -7.004 1.00 0.00 C ATOM 250 CD GLU A 18 4.101 2.513 -8.516 1.00 0.00 C ATOM 251 OE1 GLU A 18 3.219 2.008 -9.244 1.00 0.00 O ATOM 252 OE2 GLU A 18 5.133 3.099 -8.911 1.00 0.00 O ATOM 0 H GLU A 18 2.268 3.040 -4.138 1.00 0.00 H new ATOM 0 HA GLU A 18 3.512 4.612 -6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.040 2.082 -5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.864 2.916 -7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.637 3.021 -6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.071 1.374 -6.686 1.00 0.00 H new ATOM 259 N LYS A 19 0.229 4.771 -6.351 1.00 0.00 N ATOM 260 CA LYS A 19 -0.851 5.592 -6.871 1.00 0.00 C ATOM 261 C LYS A 19 -0.565 7.062 -6.558 1.00 0.00 C ATOM 262 O LYS A 19 -0.586 7.906 -7.453 1.00 0.00 O ATOM 263 CB LYS A 19 -2.200 5.102 -6.339 1.00 0.00 C ATOM 264 CG LYS A 19 -2.596 3.775 -6.990 1.00 0.00 C ATOM 265 CD LYS A 19 -2.657 3.907 -8.513 1.00 0.00 C ATOM 266 CE LYS A 19 -3.919 3.248 -9.070 1.00 0.00 C ATOM 267 NZ LYS A 19 -3.833 3.127 -10.543 1.00 0.00 N ATOM 0 H LYS A 19 -0.071 3.906 -5.902 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.909 5.502 -7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.145 4.979 -5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.967 5.851 -6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.876 3.003 -6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.566 3.455 -6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.640 4.961 -8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.775 3.445 -8.957 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.048 2.261 -8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.795 3.837 -8.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.698 2.677 -10.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.732 4.073 -10.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.009 2.546 -10.796 1.00 0.00 H new ATOM 281 N CYS A 20 -0.303 7.323 -5.286 1.00 0.00 N ATOM 282 CA CYS A 20 -0.012 8.677 -4.844 1.00 0.00 C ATOM 283 C CYS A 20 1.010 9.287 -5.805 1.00 0.00 C ATOM 284 O CYS A 20 0.680 10.180 -6.583 1.00 0.00 O ATOM 285 CB CYS A 20 0.478 8.706 -3.395 1.00 0.00 C ATOM 286 SG CYS A 20 -0.813 9.418 -2.312 1.00 0.00 S ATOM 0 H CYS A 20 -0.286 6.620 -4.547 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.925 9.272 -4.861 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.725 7.697 -3.066 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.391 9.297 -3.323 1.00 0.00 H new ATOM 0 HG CYS A 20 -1.987 9.085 -2.760 1.00 0.00 H new ATOM 292 N GLY A 21 2.231 8.779 -5.720 1.00 0.00 N ATOM 293 CA GLY A 21 3.304 9.263 -6.572 1.00 0.00 C ATOM 294 C GLY A 21 2.849 9.350 -8.030 1.00 0.00 C ATOM 295 O GLY A 21 3.280 10.235 -8.767 1.00 0.00 O ATOM 0 H GLY A 21 2.501 8.037 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.630 10.245 -6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.163 8.597 -6.495 1.00 0.00 H new ATOM 299 N GLU A 22 1.984 8.418 -8.403 1.00 0.00 N ATOM 300 CA GLU A 22 1.466 8.378 -9.760 1.00 0.00 C ATOM 301 C GLU A 22 0.616 9.620 -10.040 1.00 0.00 C ATOM 302 O GLU A 22 0.743 10.237 -11.097 1.00 0.00 O ATOM 303 CB GLU A 22 0.663 7.098 -10.003 1.00 0.00 C ATOM 304 CG GLU A 22 1.092 6.422 -11.307 1.00 0.00 C ATOM 305 CD GLU A 22 -0.057 6.403 -12.318 1.00 0.00 C ATOM 306 OE1 GLU A 22 -0.480 7.509 -12.718 1.00 0.00 O ATOM 307 OE2 GLU A 22 -0.486 5.282 -12.668 1.00 0.00 O ATOM 0 H GLU A 22 1.629 7.685 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 22 2.309 8.375 -10.450 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.805 6.411 -9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.400 7.334 -10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.946 6.950 -11.731 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.418 5.402 -11.102 1.00 0.00 H new ATOM 314 N ALA A 23 -0.231 9.948 -9.076 1.00 0.00 N ATOM 315 CA ALA A 23 -1.101 11.104 -9.206 1.00 0.00 C ATOM 316 C ALA A 23 -0.248 12.358 -9.413 1.00 0.00 C ATOM 317 O ALA A 23 -0.574 13.204 -10.244 1.00 0.00 O ATOM 318 CB ALA A 23 -2.000 11.208 -7.972 1.00 0.00 C ATOM 0 H ALA A 23 -0.333 9.433 -8.201 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.751 11.000 -10.075 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.653 12.075 -8.069 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.606 10.306 -7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.383 11.317 -7.080 1.00 0.00 H new ATOM 324 N LEU A 24 0.827 12.437 -8.643 1.00 0.00 N ATOM 325 CA LEU A 24 1.728 13.573 -8.732 1.00 0.00 C ATOM 326 C LEU A 24 2.396 13.583 -10.108 1.00 0.00 C ATOM 327 O LEU A 24 2.829 14.631 -10.585 1.00 0.00 O ATOM 328 CB LEU A 24 2.721 13.562 -7.567 1.00 0.00 C ATOM 329 CG LEU A 24 2.171 14.012 -6.213 1.00 0.00 C ATOM 330 CD1 LEU A 24 1.871 15.512 -6.213 1.00 0.00 C ATOM 331 CD2 LEU A 24 0.947 13.183 -5.815 1.00 0.00 C ATOM 0 H LEU A 24 1.094 11.733 -7.955 1.00 0.00 H new ATOM 0 HA LEU A 24 1.173 14.507 -8.640 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.113 12.551 -7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.562 14.204 -7.827 1.00 0.00 H new ATOM 0 HG LEU A 24 2.938 13.837 -5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.481 15.805 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.787 16.066 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.131 15.735 -6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.576 13.523 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.166 13.303 -6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.226 12.132 -5.747 1.00 0.00 H new ATOM 343 N GLY A 25 2.458 12.404 -10.709 1.00 0.00 N ATOM 344 CA GLY A 25 3.065 12.263 -12.022 1.00 0.00 C ATOM 345 C GLY A 25 4.522 11.811 -11.906 1.00 0.00 C ATOM 346 O GLY A 25 5.380 12.273 -12.656 1.00 0.00 O ATOM 0 H GLY A 25 2.098 11.537 -10.311 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.502 11.539 -12.611 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.016 13.214 -12.553 1.00 0.00 H new ATOM 350 N LEU A 26 4.756 10.912 -10.961 1.00 0.00 N ATOM 351 CA LEU A 26 6.094 10.392 -10.738 1.00 0.00 C ATOM 352 C LEU A 26 6.128 8.908 -11.106 1.00 0.00 C ATOM 353 O LEU A 26 5.087 8.303 -11.356 1.00 0.00 O ATOM 354 CB LEU A 26 6.549 10.681 -9.306 1.00 0.00 C ATOM 355 CG LEU A 26 6.454 12.139 -8.853 1.00 0.00 C ATOM 356 CD1 LEU A 26 6.678 12.261 -7.344 1.00 0.00 C ATOM 357 CD2 LEU A 26 7.416 13.025 -9.648 1.00 0.00 C ATOM 0 H LEU A 26 4.041 10.531 -10.341 1.00 0.00 H new ATOM 0 HA LEU A 26 6.812 10.897 -11.384 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.954 10.071 -8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.584 10.356 -9.202 1.00 0.00 H new ATOM 0 HG LEU A 26 5.444 12.494 -9.059 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.605 13.308 -7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.921 11.681 -6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.668 11.881 -7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.328 14.056 -9.306 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.438 12.679 -9.497 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.168 12.972 -10.708 1.00 0.00 H new ATOM 369 N LYS A 27 7.336 8.364 -11.128 1.00 0.00 N ATOM 370 CA LYS A 27 7.519 6.962 -11.462 1.00 0.00 C ATOM 371 C LYS A 27 7.894 6.186 -10.198 1.00 0.00 C ATOM 372 O LYS A 27 8.321 5.035 -10.275 1.00 0.00 O ATOM 373 CB LYS A 27 8.531 6.809 -12.600 1.00 0.00 C ATOM 374 CG LYS A 27 7.835 6.854 -13.962 1.00 0.00 C ATOM 375 CD LYS A 27 8.320 5.717 -14.863 1.00 0.00 C ATOM 376 CE LYS A 27 7.412 4.493 -14.739 1.00 0.00 C ATOM 377 NZ LYS A 27 7.064 3.967 -16.079 1.00 0.00 N ATOM 0 H LYS A 27 8.197 8.869 -10.920 1.00 0.00 H new ATOM 0 HA LYS A 27 6.588 6.535 -11.835 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.274 7.605 -12.541 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.066 5.865 -12.492 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.756 6.780 -13.826 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.030 7.812 -14.443 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.342 6.054 -15.899 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.341 5.446 -14.594 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.912 3.719 -14.157 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.503 4.760 -14.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.447 3.136 -15.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.568 4.702 -16.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.933 3.693 -16.581 1.00 0.00 H new ATOM 391 N GLN A 28 7.722 6.847 -9.063 1.00 0.00 N ATOM 392 CA GLN A 28 8.037 6.234 -7.784 1.00 0.00 C ATOM 393 C GLN A 28 6.831 6.314 -6.845 1.00 0.00 C ATOM 394 O GLN A 28 5.781 6.834 -7.220 1.00 0.00 O ATOM 395 CB GLN A 28 9.268 6.886 -7.152 1.00 0.00 C ATOM 396 CG GLN A 28 9.022 8.370 -6.875 1.00 0.00 C ATOM 397 CD GLN A 28 10.339 9.108 -6.628 1.00 0.00 C ATOM 398 OE1 GLN A 28 11.315 8.944 -7.341 1.00 0.00 O ATOM 399 NE2 GLN A 28 10.312 9.928 -5.581 1.00 0.00 N ATOM 0 H GLN A 28 7.368 7.802 -9.002 1.00 0.00 H new ATOM 0 HA GLN A 28 8.270 5.183 -7.955 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.517 6.375 -6.222 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.125 6.774 -7.816 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.502 8.820 -7.721 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.372 8.479 -6.007 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.461 10.018 -5.026 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.142 10.466 -5.333 1.00 0.00 H new ATOM 408 N ALA A 29 7.022 5.792 -5.642 1.00 0.00 N ATOM 409 CA ALA A 29 5.964 5.799 -4.647 1.00 0.00 C ATOM 410 C ALA A 29 6.129 7.020 -3.740 1.00 0.00 C ATOM 411 O ALA A 29 7.223 7.571 -3.629 1.00 0.00 O ATOM 412 CB ALA A 29 5.990 4.484 -3.865 1.00 0.00 C ATOM 0 H ALA A 29 7.894 5.361 -5.334 1.00 0.00 H new ATOM 0 HA ALA A 29 4.988 5.875 -5.126 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.196 4.489 -3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.838 3.650 -4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.954 4.375 -3.369 1.00 0.00 H new ATOM 418 N VAL A 30 5.027 7.407 -3.115 1.00 0.00 N ATOM 419 CA VAL A 30 5.036 8.552 -2.222 1.00 0.00 C ATOM 420 C VAL A 30 4.099 8.282 -1.043 1.00 0.00 C ATOM 421 O VAL A 30 2.903 8.067 -1.233 1.00 0.00 O ATOM 422 CB VAL A 30 4.674 9.822 -2.995 1.00 0.00 C ATOM 423 CG1 VAL A 30 4.908 11.070 -2.141 1.00 0.00 C ATOM 424 CG2 VAL A 30 5.452 9.904 -4.310 1.00 0.00 C ATOM 0 H VAL A 30 4.121 6.947 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 30 6.034 8.710 -1.814 1.00 0.00 H new ATOM 0 HB VAL A 30 3.612 9.776 -3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.643 11.958 -2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.290 11.019 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.958 11.123 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.176 10.816 -4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.521 9.916 -4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.213 9.039 -4.928 1.00 0.00 H new ATOM 434 N LYS A 31 4.678 8.302 0.149 1.00 0.00 N ATOM 435 CA LYS A 31 3.909 8.061 1.358 1.00 0.00 C ATOM 436 C LYS A 31 2.559 8.772 1.248 1.00 0.00 C ATOM 437 O LYS A 31 2.506 9.983 1.041 1.00 0.00 O ATOM 438 CB LYS A 31 4.716 8.462 2.594 1.00 0.00 C ATOM 439 CG LYS A 31 4.571 7.420 3.705 1.00 0.00 C ATOM 440 CD LYS A 31 3.306 7.669 4.529 1.00 0.00 C ATOM 441 CE LYS A 31 3.127 6.592 5.600 1.00 0.00 C ATOM 442 NZ LYS A 31 2.570 7.180 6.839 1.00 0.00 N ATOM 0 H LYS A 31 5.670 8.481 0.303 1.00 0.00 H new ATOM 0 HA LYS A 31 3.701 6.997 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.767 8.570 2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.377 9.433 2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.535 6.421 3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.445 7.453 4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.363 8.650 5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.436 7.681 3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.463 5.811 5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.086 6.120 5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.455 6.435 7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.218 7.909 7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.645 7.609 6.634 1.00 0.00 H new ATOM 456 N VAL A 32 1.500 7.989 1.393 1.00 0.00 N ATOM 457 CA VAL A 32 0.153 8.528 1.313 1.00 0.00 C ATOM 458 C VAL A 32 -0.116 9.399 2.541 1.00 0.00 C ATOM 459 O VAL A 32 -0.140 8.903 3.666 1.00 0.00 O ATOM 460 CB VAL A 32 -0.857 7.390 1.154 1.00 0.00 C ATOM 461 CG1 VAL A 32 -2.292 7.917 1.228 1.00 0.00 C ATOM 462 CG2 VAL A 32 -0.621 6.626 -0.150 1.00 0.00 C ATOM 0 H VAL A 32 1.548 6.985 1.566 1.00 0.00 H new ATOM 0 HA VAL A 32 0.047 9.164 0.434 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.712 6.695 1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.990 7.088 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.454 8.396 2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.455 8.643 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.352 5.823 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.726 7.307 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.384 6.203 -0.147 1.00 0.00 H new ATOM 472 N PRO A 33 -0.318 10.718 2.277 1.00 0.00 N ATOM 473 CA PRO A 33 -0.585 11.664 3.348 1.00 0.00 C ATOM 474 C PRO A 33 -2.016 11.513 3.868 1.00 0.00 C ATOM 475 O PRO A 33 -2.773 12.483 3.903 1.00 0.00 O ATOM 476 CB PRO A 33 -0.314 13.031 2.742 1.00 0.00 C ATOM 477 CG PRO A 33 -0.356 12.835 1.235 1.00 0.00 C ATOM 478 CD PRO A 33 -0.297 11.342 0.957 1.00 0.00 C ATOM 0 HA PRO A 33 0.045 11.499 4.222 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.063 13.756 3.063 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.656 13.413 3.059 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.267 13.265 0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.482 13.345 0.760 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.144 11.018 0.352 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.607 11.077 0.408 1.00 0.00 H new ATOM 486 N PHE A 34 -2.344 10.290 4.258 1.00 0.00 N ATOM 487 CA PHE A 34 -3.671 10.001 4.775 1.00 0.00 C ATOM 488 C PHE A 34 -4.227 11.191 5.559 1.00 0.00 C ATOM 489 O PHE A 34 -5.425 11.467 5.510 1.00 0.00 O ATOM 490 CB PHE A 34 -3.533 8.804 5.718 1.00 0.00 C ATOM 491 CG PHE A 34 -3.459 7.453 5.003 1.00 0.00 C ATOM 492 CD1 PHE A 34 -4.600 6.767 4.726 1.00 0.00 C ATOM 493 CD2 PHE A 34 -2.252 6.939 4.644 1.00 0.00 C ATOM 494 CE1 PHE A 34 -4.531 5.514 4.063 1.00 0.00 C ATOM 495 CE2 PHE A 34 -2.183 5.686 3.981 1.00 0.00 C ATOM 496 CZ PHE A 34 -3.324 4.999 3.704 1.00 0.00 C ATOM 0 H PHE A 34 -1.714 9.488 4.226 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.353 9.794 3.951 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.635 8.933 6.323 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.381 8.795 6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.558 7.176 5.010 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.346 7.484 4.863 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.437 4.969 3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.224 5.278 3.696 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.272 4.046 3.199 1.00 0.00 H new ATOM 506 N ALA A 35 -3.329 11.866 6.262 1.00 0.00 N ATOM 507 CA ALA A 35 -3.715 13.021 7.056 1.00 0.00 C ATOM 508 C ALA A 35 -4.409 14.044 6.155 1.00 0.00 C ATOM 509 O ALA A 35 -5.549 14.429 6.410 1.00 0.00 O ATOM 510 CB ALA A 35 -2.480 13.598 7.751 1.00 0.00 C ATOM 0 H ALA A 35 -2.336 11.636 6.298 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.422 12.734 7.834 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.769 14.464 8.346 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.041 12.841 8.401 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.749 13.901 7.001 1.00 0.00 H new ATOM 516 N LEU A 36 -3.692 14.456 5.119 1.00 0.00 N ATOM 517 CA LEU A 36 -4.224 15.427 4.179 1.00 0.00 C ATOM 518 C LEU A 36 -5.632 15.002 3.756 1.00 0.00 C ATOM 519 O LEU A 36 -6.514 15.843 3.587 1.00 0.00 O ATOM 520 CB LEU A 36 -3.261 15.621 3.006 1.00 0.00 C ATOM 521 CG LEU A 36 -1.993 16.423 3.305 1.00 0.00 C ATOM 522 CD1 LEU A 36 -1.063 16.451 2.090 1.00 0.00 C ATOM 523 CD2 LEU A 36 -2.336 17.830 3.797 1.00 0.00 C ATOM 0 H LEU A 36 -2.747 14.134 4.911 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.314 16.405 4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.967 14.638 2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.799 16.117 2.198 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.455 15.923 4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.169 17.027 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.778 15.432 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.578 16.913 1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.416 18.378 4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.908 18.354 3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.929 17.762 4.709 1.00 0.00 H new ATOM 535 N PHE A 37 -5.798 13.698 3.595 1.00 0.00 N ATOM 536 CA PHE A 37 -7.083 13.151 3.195 1.00 0.00 C ATOM 537 C PHE A 37 -8.047 13.089 4.381 1.00 0.00 C ATOM 538 O PHE A 37 -9.262 13.156 4.203 1.00 0.00 O ATOM 539 CB PHE A 37 -6.827 11.730 2.687 1.00 0.00 C ATOM 540 CG PHE A 37 -6.044 11.671 1.374 1.00 0.00 C ATOM 541 CD1 PHE A 37 -4.697 11.858 1.376 1.00 0.00 C ATOM 542 CD2 PHE A 37 -6.695 11.431 0.204 1.00 0.00 C ATOM 543 CE1 PHE A 37 -3.970 11.802 0.157 1.00 0.00 C ATOM 544 CE2 PHE A 37 -5.969 11.376 -1.015 1.00 0.00 C ATOM 545 CZ PHE A 37 -4.622 11.562 -1.012 1.00 0.00 C ATOM 0 H PHE A 37 -5.064 13.004 3.734 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.532 13.783 2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.280 11.175 3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.784 11.226 2.551 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.180 12.049 2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.765 11.282 0.202 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.900 11.950 0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.486 11.187 -1.944 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.069 11.519 -1.939 1.00 0.00 H new ATOM 555 N GLU A 38 -7.468 12.962 5.566 1.00 0.00 N ATOM 556 CA GLU A 38 -8.261 12.891 6.782 1.00 0.00 C ATOM 557 C GLU A 38 -8.848 14.264 7.115 1.00 0.00 C ATOM 558 O GLU A 38 -9.994 14.364 7.549 1.00 0.00 O ATOM 559 CB GLU A 38 -7.429 12.353 7.948 1.00 0.00 C ATOM 560 CG GLU A 38 -7.167 10.854 7.790 1.00 0.00 C ATOM 561 CD GLU A 38 -8.316 10.032 8.380 1.00 0.00 C ATOM 562 OE1 GLU A 38 -9.477 10.393 8.093 1.00 0.00 O ATOM 563 OE2 GLU A 38 -8.005 9.062 9.104 1.00 0.00 O ATOM 0 H GLU A 38 -6.460 12.906 5.710 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.085 12.197 6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.481 12.888 8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.951 12.537 8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.046 10.611 6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.233 10.590 8.287 1.00 0.00 H new ATOM 570 N SER A 39 -8.035 15.288 6.898 1.00 0.00 N ATOM 571 CA SER A 39 -8.459 16.650 7.169 1.00 0.00 C ATOM 572 C SER A 39 -9.136 17.244 5.932 1.00 0.00 C ATOM 573 O SER A 39 -10.083 18.020 6.050 1.00 0.00 O ATOM 574 CB SER A 39 -7.276 17.521 7.596 1.00 0.00 C ATOM 575 OG SER A 39 -7.110 17.541 9.011 1.00 0.00 O ATOM 0 H SER A 39 -7.085 15.201 6.538 1.00 0.00 H new ATOM 0 HA SER A 39 -9.174 16.628 7.991 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.364 17.148 7.129 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.426 18.538 7.234 1.00 0.00 H new ATOM 0 HG SER A 39 -6.344 18.106 9.243 1.00 0.00 H new ATOM 581 N PHE A 40 -8.624 16.856 4.773 1.00 0.00 N ATOM 582 CA PHE A 40 -9.168 17.339 3.516 1.00 0.00 C ATOM 583 C PHE A 40 -9.476 16.178 2.568 1.00 0.00 C ATOM 584 O PHE A 40 -8.763 15.966 1.588 1.00 0.00 O ATOM 585 CB PHE A 40 -8.099 18.231 2.880 1.00 0.00 C ATOM 586 CG PHE A 40 -7.496 19.259 3.838 1.00 0.00 C ATOM 587 CD1 PHE A 40 -8.297 20.179 4.441 1.00 0.00 C ATOM 588 CD2 PHE A 40 -6.159 19.254 4.088 1.00 0.00 C ATOM 589 CE1 PHE A 40 -7.737 21.134 5.330 1.00 0.00 C ATOM 590 CE2 PHE A 40 -5.599 20.209 4.978 1.00 0.00 C ATOM 591 CZ PHE A 40 -6.400 21.129 5.580 1.00 0.00 C ATOM 0 H PHE A 40 -7.838 16.213 4.679 1.00 0.00 H new ATOM 0 HA PHE A 40 -10.096 17.881 3.697 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.300 17.601 2.490 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.536 18.755 2.030 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -9.359 20.183 4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.523 18.524 3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.373 21.865 5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.537 20.205 5.177 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.974 21.855 6.256 1.00 0.00 H new ATOM 601 N PRO A 41 -10.566 15.437 2.903 1.00 0.00 N ATOM 602 CA PRO A 41 -10.977 14.303 2.093 1.00 0.00 C ATOM 603 C PRO A 41 -11.647 14.767 0.798 1.00 0.00 C ATOM 604 O PRO A 41 -11.480 14.144 -0.249 1.00 0.00 O ATOM 605 CB PRO A 41 -11.907 13.498 2.987 1.00 0.00 C ATOM 606 CG PRO A 41 -12.348 14.446 4.091 1.00 0.00 C ATOM 607 CD PRO A 41 -11.433 15.659 4.056 1.00 0.00 C ATOM 0 HA PRO A 41 -10.135 13.694 1.764 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.764 13.127 2.425 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.396 12.628 3.400 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.386 14.746 3.945 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.292 13.954 5.062 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.003 16.582 3.951 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.854 15.745 4.976 1.00 0.00 H new ATOM 615 N GLU A 42 -12.391 15.858 0.913 1.00 0.00 N ATOM 616 CA GLU A 42 -13.086 16.413 -0.236 1.00 0.00 C ATOM 617 C GLU A 42 -12.085 16.805 -1.324 1.00 0.00 C ATOM 618 O GLU A 42 -12.370 16.670 -2.513 1.00 0.00 O ATOM 619 CB GLU A 42 -13.951 17.608 0.171 1.00 0.00 C ATOM 620 CG GLU A 42 -15.391 17.173 0.451 1.00 0.00 C ATOM 621 CD GLU A 42 -16.374 18.304 0.142 1.00 0.00 C ATOM 622 OE1 GLU A 42 -16.344 19.303 0.893 1.00 0.00 O ATOM 623 OE2 GLU A 42 -17.134 18.144 -0.838 1.00 0.00 O ATOM 0 H GLU A 42 -12.527 16.372 1.784 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.749 15.648 -0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.531 18.080 1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.941 18.356 -0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.635 16.299 -0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.489 16.876 1.495 1.00 0.00 H new ATOM 630 N ASP A 43 -10.933 17.284 -0.878 1.00 0.00 N ATOM 631 CA ASP A 43 -9.888 17.697 -1.799 1.00 0.00 C ATOM 632 C ASP A 43 -9.087 16.470 -2.239 1.00 0.00 C ATOM 633 O ASP A 43 -8.864 16.264 -3.431 1.00 0.00 O ATOM 634 CB ASP A 43 -8.921 18.677 -1.132 1.00 0.00 C ATOM 635 CG ASP A 43 -9.579 19.906 -0.501 1.00 0.00 C ATOM 636 OD1 ASP A 43 -10.655 20.296 -1.006 1.00 0.00 O ATOM 637 OD2 ASP A 43 -8.992 20.429 0.471 1.00 0.00 O ATOM 0 H ASP A 43 -10.700 17.395 0.109 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.363 18.183 -2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.363 18.146 -0.361 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.197 19.012 -1.875 1.00 0.00 H new ATOM 642 N PHE A 44 -8.676 15.686 -1.253 1.00 0.00 N ATOM 643 CA PHE A 44 -7.905 14.484 -1.524 1.00 0.00 C ATOM 644 C PHE A 44 -8.718 13.228 -1.205 1.00 0.00 C ATOM 645 O PHE A 44 -9.284 13.109 -0.119 1.00 0.00 O ATOM 646 CB PHE A 44 -6.677 14.527 -0.614 1.00 0.00 C ATOM 647 CG PHE A 44 -5.910 15.850 -0.665 1.00 0.00 C ATOM 648 CD1 PHE A 44 -5.334 16.258 -1.828 1.00 0.00 C ATOM 649 CD2 PHE A 44 -5.804 16.618 0.452 1.00 0.00 C ATOM 650 CE1 PHE A 44 -4.623 17.486 -1.875 1.00 0.00 C ATOM 651 CE2 PHE A 44 -5.092 17.846 0.405 1.00 0.00 C ATOM 652 CZ PHE A 44 -4.517 18.254 -0.758 1.00 0.00 C ATOM 0 H PHE A 44 -8.862 15.860 -0.265 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.630 14.448 -2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.992 14.341 0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.003 13.717 -0.892 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.418 15.648 -2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.261 16.294 1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.166 17.810 -2.798 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.007 18.456 1.292 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.976 19.188 -0.794 1.00 0.00 H new ATOM 662 N TYR A 45 -8.750 12.322 -2.171 1.00 0.00 N ATOM 663 CA TYR A 45 -9.484 11.078 -2.007 1.00 0.00 C ATOM 664 C TYR A 45 -9.180 10.107 -3.148 1.00 0.00 C ATOM 665 O TYR A 45 -8.810 10.527 -4.244 1.00 0.00 O ATOM 666 CB TYR A 45 -10.967 11.454 -2.055 1.00 0.00 C ATOM 667 CG TYR A 45 -11.385 12.171 -3.340 1.00 0.00 C ATOM 668 CD1 TYR A 45 -11.036 13.491 -3.539 1.00 0.00 C ATOM 669 CD2 TYR A 45 -12.113 11.498 -4.300 1.00 0.00 C ATOM 670 CE1 TYR A 45 -11.430 14.166 -4.748 1.00 0.00 C ATOM 671 CE2 TYR A 45 -12.507 12.173 -5.509 1.00 0.00 C ATOM 672 CZ TYR A 45 -12.146 13.473 -5.674 1.00 0.00 C ATOM 673 OH TYR A 45 -12.518 14.111 -6.816 1.00 0.00 O ATOM 0 H TYR A 45 -8.280 12.424 -3.070 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.206 10.589 -1.073 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -11.565 10.549 -1.945 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.197 12.093 -1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.467 14.018 -2.787 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -12.387 10.465 -4.144 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.163 15.199 -4.916 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -13.077 11.658 -6.268 1.00 0.00 H new ATOM 0 HH TYR A 45 -13.023 13.494 -7.386 1.00 0.00 H new ATOM 683 N VAL A 46 -9.346 8.826 -2.853 1.00 0.00 N ATOM 684 CA VAL A 46 -9.093 7.791 -3.841 1.00 0.00 C ATOM 685 C VAL A 46 -10.427 7.243 -4.352 1.00 0.00 C ATOM 686 O VAL A 46 -11.282 6.843 -3.563 1.00 0.00 O ATOM 687 CB VAL A 46 -8.191 6.708 -3.246 1.00 0.00 C ATOM 688 CG1 VAL A 46 -7.984 5.561 -4.237 1.00 0.00 C ATOM 689 CG2 VAL A 46 -6.851 7.296 -2.800 1.00 0.00 C ATOM 0 H VAL A 46 -9.653 8.481 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.561 8.204 -4.698 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.689 6.303 -2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.339 4.805 -3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.948 5.116 -4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.517 5.944 -5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.228 6.506 -2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.345 7.740 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.023 8.062 -2.044 1.00 0.00 H new ATOM 699 N GLU A 47 -10.565 7.243 -5.670 1.00 0.00 N ATOM 700 CA GLU A 47 -11.780 6.751 -6.296 1.00 0.00 C ATOM 701 C GLU A 47 -11.519 5.407 -6.979 1.00 0.00 C ATOM 702 O GLU A 47 -10.369 5.038 -7.212 1.00 0.00 O ATOM 703 CB GLU A 47 -12.338 7.772 -7.289 1.00 0.00 C ATOM 704 CG GLU A 47 -12.543 9.132 -6.620 1.00 0.00 C ATOM 705 CD GLU A 47 -14.031 9.460 -6.487 1.00 0.00 C ATOM 706 OE1 GLU A 47 -14.769 9.147 -7.446 1.00 0.00 O ATOM 707 OE2 GLU A 47 -14.398 10.015 -5.429 1.00 0.00 O ATOM 0 H GLU A 47 -9.855 7.576 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.530 6.602 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.654 7.877 -8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.286 7.414 -7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.078 9.130 -5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.047 9.907 -7.204 1.00 0.00 H new ATOM 714 N GLY A 48 -12.606 4.712 -7.282 1.00 0.00 N ATOM 715 CA GLY A 48 -12.509 3.417 -7.934 1.00 0.00 C ATOM 716 C GLY A 48 -12.616 2.281 -6.916 1.00 0.00 C ATOM 717 O GLY A 48 -13.019 1.171 -7.259 1.00 0.00 O ATOM 0 H GLY A 48 -13.558 5.021 -7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.301 3.320 -8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.561 3.344 -8.467 1.00 0.00 H new ATOM 721 N LEU A 49 -12.247 2.597 -5.683 1.00 0.00 N ATOM 722 CA LEU A 49 -12.297 1.616 -4.612 1.00 0.00 C ATOM 723 C LEU A 49 -13.577 0.789 -4.743 1.00 0.00 C ATOM 724 O LEU A 49 -14.578 1.267 -5.274 1.00 0.00 O ATOM 725 CB LEU A 49 -12.143 2.300 -3.252 1.00 0.00 C ATOM 726 CG LEU A 49 -10.768 2.904 -2.956 1.00 0.00 C ATOM 727 CD1 LEU A 49 -10.861 3.968 -1.861 1.00 0.00 C ATOM 728 CD2 LEU A 49 -9.753 1.813 -2.611 1.00 0.00 C ATOM 0 H LEU A 49 -11.912 3.519 -5.402 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.460 0.922 -4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.889 3.092 -3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.373 1.573 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.412 3.401 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.871 4.381 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.530 4.765 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.248 3.517 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.785 2.269 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.091 1.267 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.659 1.125 -3.451 1.00 0.00 H new ATOM 740 N PRO A 50 -13.501 -0.471 -4.237 1.00 0.00 N ATOM 741 CA PRO A 50 -14.642 -1.370 -4.292 1.00 0.00 C ATOM 742 C PRO A 50 -15.698 -0.980 -3.256 1.00 0.00 C ATOM 743 O PRO A 50 -15.372 -0.405 -2.218 1.00 0.00 O ATOM 744 CB PRO A 50 -14.063 -2.755 -4.057 1.00 0.00 C ATOM 745 CG PRO A 50 -12.700 -2.535 -3.421 1.00 0.00 C ATOM 746 CD PRO A 50 -12.332 -1.072 -3.601 1.00 0.00 C ATOM 0 HA PRO A 50 -15.165 -1.328 -5.248 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -14.708 -3.342 -3.404 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -13.973 -3.305 -4.994 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.726 -2.794 -2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.953 -3.177 -3.888 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.114 -0.598 -2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -11.443 -0.961 -4.221 1.00 0.00 H new ATOM 754 N GLU A 51 -16.941 -1.308 -3.573 1.00 0.00 N ATOM 755 CA GLU A 51 -18.047 -0.999 -2.682 1.00 0.00 C ATOM 756 C GLU A 51 -17.780 -1.568 -1.287 1.00 0.00 C ATOM 757 O GLU A 51 -17.263 -2.676 -1.153 1.00 0.00 O ATOM 758 CB GLU A 51 -19.368 -1.527 -3.245 1.00 0.00 C ATOM 759 CG GLU A 51 -20.334 -0.378 -3.546 1.00 0.00 C ATOM 760 CD GLU A 51 -20.371 -0.071 -5.044 1.00 0.00 C ATOM 761 OE1 GLU A 51 -20.857 -0.947 -5.791 1.00 0.00 O ATOM 762 OE2 GLU A 51 -19.913 1.034 -5.408 1.00 0.00 O ATOM 0 H GLU A 51 -17.208 -1.785 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 51 -18.131 0.085 -2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -19.178 -2.095 -4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.824 -2.213 -2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -21.334 -0.639 -3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -20.028 0.512 -2.996 1.00 0.00 H new ATOM 769 N GLY A 52 -18.144 -0.783 -0.283 1.00 0.00 N ATOM 770 CA GLY A 52 -17.950 -1.195 1.096 1.00 0.00 C ATOM 771 C GLY A 52 -16.461 -1.269 1.442 1.00 0.00 C ATOM 772 O GLY A 52 -16.089 -1.787 2.494 1.00 0.00 O ATOM 0 H GLY A 52 -18.572 0.136 -0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.447 -0.491 1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -18.413 -2.168 1.257 1.00 0.00 H new ATOM 776 N VAL A 53 -15.649 -0.742 0.537 1.00 0.00 N ATOM 777 CA VAL A 53 -14.210 -0.742 0.733 1.00 0.00 C ATOM 778 C VAL A 53 -13.674 0.679 0.545 1.00 0.00 C ATOM 779 O VAL A 53 -13.374 1.089 -0.575 1.00 0.00 O ATOM 780 CB VAL A 53 -13.553 -1.758 -0.204 1.00 0.00 C ATOM 781 CG1 VAL A 53 -12.052 -1.864 0.068 1.00 0.00 C ATOM 782 CG2 VAL A 53 -14.230 -3.125 -0.091 1.00 0.00 C ATOM 0 H VAL A 53 -15.961 -0.312 -0.334 1.00 0.00 H new ATOM 0 HA VAL A 53 -13.963 -1.051 1.749 1.00 0.00 H new ATOM 0 HB VAL A 53 -13.683 -1.404 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.610 -2.593 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.584 -0.892 -0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.890 -2.183 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -13.744 -3.829 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.146 -3.489 0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -15.283 -3.033 -0.358 1.00 0.00 H new ATOM 792 N PRO A 54 -13.568 1.409 1.687 1.00 0.00 N ATOM 793 CA PRO A 54 -13.073 2.775 1.659 1.00 0.00 C ATOM 794 C PRO A 54 -11.557 2.805 1.457 1.00 0.00 C ATOM 795 O PRO A 54 -10.931 1.763 1.270 1.00 0.00 O ATOM 796 CB PRO A 54 -13.508 3.379 2.984 1.00 0.00 C ATOM 797 CG PRO A 54 -13.821 2.203 3.895 1.00 0.00 C ATOM 798 CD PRO A 54 -13.914 0.955 3.031 1.00 0.00 C ATOM 0 HA PRO A 54 -13.474 3.350 0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.720 4.002 3.407 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.383 4.016 2.854 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.043 2.087 4.650 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.758 2.370 4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -13.228 0.182 3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.916 0.528 3.059 1.00 0.00 H new ATOM 806 N PHE A 55 -11.010 4.011 1.503 1.00 0.00 N ATOM 807 CA PHE A 55 -9.579 4.191 1.328 1.00 0.00 C ATOM 808 C PHE A 55 -8.850 4.133 2.672 1.00 0.00 C ATOM 809 O PHE A 55 -7.882 4.860 2.889 1.00 0.00 O ATOM 810 CB PHE A 55 -9.374 5.576 0.709 1.00 0.00 C ATOM 811 CG PHE A 55 -7.910 5.926 0.438 1.00 0.00 C ATOM 812 CD1 PHE A 55 -7.056 4.971 -0.019 1.00 0.00 C ATOM 813 CD2 PHE A 55 -7.462 7.192 0.654 1.00 0.00 C ATOM 814 CE1 PHE A 55 -5.697 5.296 -0.270 1.00 0.00 C ATOM 815 CE2 PHE A 55 -6.103 7.517 0.402 1.00 0.00 C ATOM 816 CZ PHE A 55 -5.249 6.562 -0.055 1.00 0.00 C ATOM 0 H PHE A 55 -11.532 4.873 1.659 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.180 3.399 0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.929 5.630 -0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.799 6.327 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.412 3.966 -0.191 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.140 7.950 1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.019 4.538 -0.632 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.747 8.522 0.573 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.215 6.809 -0.247 1.00 0.00 H new ATOM 826 N ARG A 56 -9.344 3.261 3.539 1.00 0.00 N ATOM 827 CA ARG A 56 -8.752 3.099 4.856 1.00 0.00 C ATOM 828 C ARG A 56 -7.369 2.455 4.741 1.00 0.00 C ATOM 829 O ARG A 56 -6.902 2.173 3.638 1.00 0.00 O ATOM 830 CB ARG A 56 -9.637 2.233 5.755 1.00 0.00 C ATOM 831 CG ARG A 56 -10.560 3.100 6.614 1.00 0.00 C ATOM 832 CD ARG A 56 -9.922 3.400 7.972 1.00 0.00 C ATOM 833 NE ARG A 56 -10.879 3.095 9.059 1.00 0.00 N ATOM 834 CZ ARG A 56 -12.035 3.747 9.247 1.00 0.00 C ATOM 835 NH1 ARG A 56 -12.384 4.743 8.421 1.00 0.00 N ATOM 836 NH2 ARG A 56 -12.841 3.402 10.260 1.00 0.00 N ATOM 0 H ARG A 56 -10.147 2.660 3.355 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.659 4.089 5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.233 1.557 5.142 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.012 1.613 6.398 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.775 4.034 6.095 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.512 2.590 6.760 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.016 2.807 8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.626 4.448 8.020 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.644 2.342 9.705 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.770 5.005 7.650 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.264 5.239 8.564 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.575 2.643 10.888 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.721 3.898 10.403 1.00 0.00 H new ATOM 850 N ARG A 57 -6.753 2.241 5.894 1.00 0.00 N ATOM 851 CA ARG A 57 -5.433 1.635 5.936 1.00 0.00 C ATOM 852 C ARG A 57 -5.495 0.191 5.435 1.00 0.00 C ATOM 853 O ARG A 57 -6.514 -0.480 5.589 1.00 0.00 O ATOM 854 CB ARG A 57 -4.865 1.651 7.357 1.00 0.00 C ATOM 855 CG ARG A 57 -4.687 3.084 7.861 1.00 0.00 C ATOM 856 CD ARG A 57 -5.253 3.243 9.274 1.00 0.00 C ATOM 857 NE ARG A 57 -4.974 4.605 9.781 1.00 0.00 N ATOM 858 CZ ARG A 57 -3.764 5.027 10.173 1.00 0.00 C ATOM 859 NH1 ARG A 57 -2.715 4.196 10.118 1.00 0.00 N ATOM 860 NH2 ARG A 57 -3.604 6.280 10.620 1.00 0.00 N ATOM 0 H ARG A 57 -7.143 2.476 6.806 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.779 2.219 5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.533 1.107 8.025 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.906 1.134 7.375 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.629 3.346 7.858 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.189 3.776 7.185 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.328 3.062 9.267 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.809 2.501 9.938 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.751 5.264 9.835 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.837 3.242 9.778 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.794 4.517 10.416 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.403 6.912 10.662 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.683 6.601 10.918 1.00 0.00 H new ATOM 874 N PRO A 58 -4.363 -0.256 4.829 1.00 0.00 N ATOM 875 CA PRO A 58 -4.279 -1.609 4.304 1.00 0.00 C ATOM 876 C PRO A 58 -4.118 -2.627 5.435 1.00 0.00 C ATOM 877 O PRO A 58 -4.815 -3.640 5.467 1.00 0.00 O ATOM 878 CB PRO A 58 -3.096 -1.588 3.351 1.00 0.00 C ATOM 879 CG PRO A 58 -2.279 -0.362 3.726 1.00 0.00 C ATOM 880 CD PRO A 58 -3.136 0.510 4.629 1.00 0.00 C ATOM 0 HA PRO A 58 -5.187 -1.916 3.784 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.502 -2.497 3.446 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.430 -1.532 2.315 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.362 -0.656 4.237 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.984 0.188 2.832 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.636 0.711 5.576 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.343 1.475 4.167 1.00 0.00 H new ATOM 888 N SER A 59 -3.195 -2.322 6.335 1.00 0.00 N ATOM 889 CA SER A 59 -2.934 -3.198 7.465 1.00 0.00 C ATOM 890 C SER A 59 -4.100 -3.139 8.454 1.00 0.00 C ATOM 891 O SER A 59 -3.919 -2.759 9.610 1.00 0.00 O ATOM 892 CB SER A 59 -1.626 -2.821 8.163 1.00 0.00 C ATOM 893 OG SER A 59 -0.518 -2.839 7.268 1.00 0.00 O ATOM 0 H SER A 59 -2.619 -1.481 6.305 1.00 0.00 H new ATOM 0 HA SER A 59 -2.835 -4.217 7.092 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.722 -1.827 8.601 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.440 -3.514 8.984 1.00 0.00 H new ATOM 0 HG SER A 59 0.297 -2.591 7.752 1.00 0.00 H new ATOM 899 N THR A 60 -5.270 -3.520 7.963 1.00 0.00 N ATOM 900 CA THR A 60 -6.465 -3.516 8.789 1.00 0.00 C ATOM 901 C THR A 60 -7.565 -4.359 8.141 1.00 0.00 C ATOM 902 O THR A 60 -8.180 -5.195 8.800 1.00 0.00 O ATOM 903 CB THR A 60 -6.873 -2.059 9.022 1.00 0.00 C ATOM 904 OG1 THR A 60 -6.683 -1.865 10.421 1.00 0.00 O ATOM 905 CG2 THR A 60 -8.372 -1.831 8.815 1.00 0.00 C ATOM 0 H THR A 60 -5.416 -3.834 7.003 1.00 0.00 H new ATOM 0 HA THR A 60 -6.277 -3.976 9.759 1.00 0.00 H new ATOM 0 HB THR A 60 -6.311 -1.412 8.349 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.756 -2.077 10.658 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.608 -0.782 8.993 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.643 -2.096 7.793 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.934 -2.453 9.512 1.00 0.00 H new ATOM 913 N PHE A 61 -7.779 -4.108 6.857 1.00 0.00 N ATOM 914 CA PHE A 61 -8.794 -4.834 6.113 1.00 0.00 C ATOM 915 C PHE A 61 -8.635 -6.344 6.298 1.00 0.00 C ATOM 916 O PHE A 61 -7.583 -6.813 6.730 1.00 0.00 O ATOM 917 CB PHE A 61 -8.596 -4.490 4.635 1.00 0.00 C ATOM 918 CG PHE A 61 -8.883 -3.027 4.293 1.00 0.00 C ATOM 919 CD1 PHE A 61 -10.069 -2.465 4.649 1.00 0.00 C ATOM 920 CD2 PHE A 61 -7.951 -2.287 3.633 1.00 0.00 C ATOM 921 CE1 PHE A 61 -10.335 -1.107 4.331 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.217 -0.929 3.316 1.00 0.00 C ATOM 923 CZ PHE A 61 -9.404 -0.368 3.671 1.00 0.00 C ATOM 0 H PHE A 61 -7.267 -3.413 6.314 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.786 -4.554 6.467 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.570 -4.724 4.352 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.245 -5.127 4.034 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -10.809 -3.052 5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.009 -2.733 3.350 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -11.277 -0.661 4.613 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.477 -0.341 2.793 1.00 0.00 H new ATOM 0 HZ PHE A 61 -9.607 0.665 3.429 1.00 0.00 H new ATOM 933 N GLY A 62 -9.696 -7.064 5.963 1.00 0.00 N ATOM 934 CA GLY A 62 -9.688 -8.512 6.087 1.00 0.00 C ATOM 935 C GLY A 62 -8.744 -9.145 5.063 1.00 0.00 C ATOM 936 O GLY A 62 -8.104 -8.439 4.284 1.00 0.00 O ATOM 0 H GLY A 62 -10.567 -6.671 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.379 -8.793 7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.697 -8.898 5.944 1.00 0.00 H new ATOM 940 N ILE A 63 -8.687 -10.468 5.097 1.00 0.00 N ATOM 941 CA ILE A 63 -7.832 -11.204 4.181 1.00 0.00 C ATOM 942 C ILE A 63 -8.393 -11.089 2.763 1.00 0.00 C ATOM 943 O ILE A 63 -7.647 -10.854 1.813 1.00 0.00 O ATOM 944 CB ILE A 63 -7.654 -12.647 4.657 1.00 0.00 C ATOM 945 CG1 ILE A 63 -6.747 -12.711 5.888 1.00 0.00 C ATOM 946 CG2 ILE A 63 -7.144 -13.539 3.524 1.00 0.00 C ATOM 947 CD1 ILE A 63 -7.136 -13.880 6.795 1.00 0.00 C ATOM 0 H ILE A 63 -9.219 -11.050 5.744 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.831 -10.773 4.164 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.630 -13.030 4.955 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.709 -12.819 5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.816 -11.776 6.444 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.026 -14.559 3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.860 -13.528 2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.182 -13.166 3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.476 -13.903 7.662 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.167 -13.756 7.127 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.043 -14.815 6.243 1.00 0.00 H new ATOM 959 N PRO A 64 -9.737 -11.264 2.660 1.00 0.00 N ATOM 960 CA PRO A 64 -10.407 -11.183 1.373 1.00 0.00 C ATOM 961 C PRO A 64 -10.527 -9.730 0.909 1.00 0.00 C ATOM 962 O PRO A 64 -10.147 -9.400 -0.214 1.00 0.00 O ATOM 963 CB PRO A 64 -11.756 -11.850 1.589 1.00 0.00 C ATOM 964 CG PRO A 64 -11.978 -11.865 3.092 1.00 0.00 C ATOM 965 CD PRO A 64 -10.653 -11.544 3.763 1.00 0.00 C ATOM 0 HA PRO A 64 -9.853 -11.682 0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.549 -11.300 1.083 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -11.761 -12.862 1.183 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.735 -11.133 3.373 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -12.342 -12.840 3.414 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.744 -10.686 4.429 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -10.302 -12.381 4.367 1.00 0.00 H new ATOM 973 N ARG A 65 -11.056 -8.900 1.796 1.00 0.00 N ATOM 974 CA ARG A 65 -11.230 -7.490 1.490 1.00 0.00 C ATOM 975 C ARG A 65 -9.961 -6.925 0.849 1.00 0.00 C ATOM 976 O ARG A 65 -10.036 -6.127 -0.084 1.00 0.00 O ATOM 977 CB ARG A 65 -11.555 -6.689 2.753 1.00 0.00 C ATOM 978 CG ARG A 65 -13.037 -6.312 2.797 1.00 0.00 C ATOM 979 CD ARG A 65 -13.291 -5.206 3.823 1.00 0.00 C ATOM 980 NE ARG A 65 -14.054 -5.745 4.971 1.00 0.00 N ATOM 981 CZ ARG A 65 -14.615 -4.987 5.923 1.00 0.00 C ATOM 982 NH1 ARG A 65 -14.503 -3.653 5.870 1.00 0.00 N ATOM 983 NH2 ARG A 65 -15.290 -5.563 6.927 1.00 0.00 N ATOM 0 H ARG A 65 -11.370 -9.177 2.726 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.063 -7.402 0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -11.299 -7.275 3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.945 -5.786 2.782 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -13.361 -5.979 1.811 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.632 -7.190 3.049 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.343 -4.794 4.168 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.844 -4.389 3.360 1.00 0.00 H new ATOM 0 HE ARG A 65 -14.159 -6.757 5.042 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.991 -3.214 5.105 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.930 -3.076 6.595 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.377 -6.579 6.967 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.717 -4.986 7.652 1.00 0.00 H new ATOM 997 N LEU A 66 -8.826 -7.362 1.373 1.00 0.00 N ATOM 998 CA LEU A 66 -7.543 -6.910 0.863 1.00 0.00 C ATOM 999 C LEU A 66 -7.461 -7.207 -0.635 1.00 0.00 C ATOM 1000 O LEU A 66 -7.280 -6.297 -1.443 1.00 0.00 O ATOM 1001 CB LEU A 66 -6.398 -7.521 1.674 1.00 0.00 C ATOM 1002 CG LEU A 66 -5.941 -6.722 2.897 1.00 0.00 C ATOM 1003 CD1 LEU A 66 -5.239 -7.627 3.911 1.00 0.00 C ATOM 1004 CD2 LEU A 66 -5.065 -5.539 2.482 1.00 0.00 C ATOM 0 H LEU A 66 -8.768 -8.025 2.146 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.446 -5.831 0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.704 -8.513 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.542 -7.656 1.012 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.824 -6.312 3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.924 -7.035 4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.926 -8.407 4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.366 -8.085 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.754 -4.988 3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.184 -5.906 1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.632 -4.879 1.825 1.00 0.00 H new ATOM 1016 N GLU A 67 -7.599 -8.484 -0.962 1.00 0.00 N ATOM 1017 CA GLU A 67 -7.544 -8.912 -2.349 1.00 0.00 C ATOM 1018 C GLU A 67 -8.478 -8.055 -3.207 1.00 0.00 C ATOM 1019 O GLU A 67 -8.114 -7.646 -4.308 1.00 0.00 O ATOM 1020 CB GLU A 67 -7.888 -10.397 -2.479 1.00 0.00 C ATOM 1021 CG GLU A 67 -6.620 -11.246 -2.589 1.00 0.00 C ATOM 1022 CD GLU A 67 -6.424 -11.756 -4.018 1.00 0.00 C ATOM 1023 OE1 GLU A 67 -6.070 -10.919 -4.876 1.00 0.00 O ATOM 1024 OE2 GLU A 67 -6.633 -12.972 -4.220 1.00 0.00 O ATOM 0 H GLU A 67 -7.749 -9.236 -0.289 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.525 -8.776 -2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.470 -10.716 -1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.512 -10.554 -3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.755 -10.655 -2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.683 -12.091 -1.903 1.00 0.00 H new ATOM 1031 N LYS A 68 -9.664 -7.810 -2.669 1.00 0.00 N ATOM 1032 CA LYS A 68 -10.653 -7.010 -3.371 1.00 0.00 C ATOM 1033 C LYS A 68 -9.991 -5.733 -3.894 1.00 0.00 C ATOM 1034 O LYS A 68 -9.936 -5.508 -5.102 1.00 0.00 O ATOM 1035 CB LYS A 68 -11.867 -6.752 -2.477 1.00 0.00 C ATOM 1036 CG LYS A 68 -12.412 -8.060 -1.901 1.00 0.00 C ATOM 1037 CD LYS A 68 -13.910 -7.951 -1.614 1.00 0.00 C ATOM 1038 CE LYS A 68 -14.726 -8.722 -2.653 1.00 0.00 C ATOM 1039 NZ LYS A 68 -16.157 -8.746 -2.276 1.00 0.00 N ATOM 0 H LYS A 68 -9.962 -8.151 -1.755 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.034 -7.550 -4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.589 -6.081 -1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.646 -6.251 -3.051 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.231 -8.874 -2.603 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.879 -8.307 -0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.122 -8.340 -0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.209 -6.903 -1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.610 -8.258 -3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.349 -9.741 -2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.696 -9.273 -2.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.265 -9.209 -1.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.517 -7.772 -2.219 1.00 0.00 H new ATOM 1053 N ILE A 69 -9.506 -4.930 -2.958 1.00 0.00 N ATOM 1054 CA ILE A 69 -8.851 -3.682 -3.310 1.00 0.00 C ATOM 1055 C ILE A 69 -7.900 -3.923 -4.483 1.00 0.00 C ATOM 1056 O ILE A 69 -7.990 -3.249 -5.509 1.00 0.00 O ATOM 1057 CB ILE A 69 -8.171 -3.070 -2.083 1.00 0.00 C ATOM 1058 CG1 ILE A 69 -9.204 -2.477 -1.122 1.00 0.00 C ATOM 1059 CG2 ILE A 69 -7.117 -2.041 -2.496 1.00 0.00 C ATOM 1060 CD1 ILE A 69 -8.934 -2.923 0.316 1.00 0.00 C ATOM 0 H ILE A 69 -9.554 -5.119 -1.957 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.585 -2.947 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.652 -3.866 -1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.178 -1.389 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -10.205 -2.788 -1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.649 -1.622 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.358 -2.524 -3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.592 -1.243 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -9.682 -2.488 0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -8.985 -4.010 0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.942 -2.589 0.620 1.00 0.00 H new ATOM 1072 N LEU A 70 -7.010 -4.886 -4.294 1.00 0.00 N ATOM 1073 CA LEU A 70 -6.043 -5.224 -5.325 1.00 0.00 C ATOM 1074 C LEU A 70 -6.775 -5.459 -6.648 1.00 0.00 C ATOM 1075 O LEU A 70 -6.498 -4.789 -7.642 1.00 0.00 O ATOM 1076 CB LEU A 70 -5.179 -6.407 -4.882 1.00 0.00 C ATOM 1077 CG LEU A 70 -4.065 -6.087 -3.883 1.00 0.00 C ATOM 1078 CD1 LEU A 70 -4.289 -6.821 -2.559 1.00 0.00 C ATOM 1079 CD2 LEU A 70 -2.690 -6.388 -4.480 1.00 0.00 C ATOM 0 H LEU A 70 -6.938 -5.443 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.352 -4.396 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.830 -7.162 -4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.728 -6.854 -5.768 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.095 -5.019 -3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.483 -6.576 -1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.243 -6.514 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.301 -7.896 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.916 -6.152 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.631 -7.444 -4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.541 -5.783 -5.374 1.00 0.00 H new ATOM 1091 N ARG A 71 -7.695 -6.411 -6.617 1.00 0.00 N ATOM 1092 CA ARG A 71 -8.469 -6.742 -7.802 1.00 0.00 C ATOM 1093 C ARG A 71 -8.913 -5.466 -8.520 1.00 0.00 C ATOM 1094 O ARG A 71 -9.114 -5.471 -9.733 1.00 0.00 O ATOM 1095 CB ARG A 71 -9.703 -7.571 -7.439 1.00 0.00 C ATOM 1096 CG ARG A 71 -9.341 -9.047 -7.267 1.00 0.00 C ATOM 1097 CD ARG A 71 -10.584 -9.884 -6.957 1.00 0.00 C ATOM 1098 NE ARG A 71 -10.199 -11.111 -6.226 1.00 0.00 N ATOM 1099 CZ ARG A 71 -11.073 -12.000 -5.734 1.00 0.00 C ATOM 1100 NH1 ARG A 71 -12.389 -11.802 -5.893 1.00 0.00 N ATOM 1101 NH2 ARG A 71 -10.633 -13.085 -5.085 1.00 0.00 N ATOM 0 H ARG A 71 -7.922 -6.964 -5.791 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.831 -7.330 -8.462 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.142 -7.191 -6.517 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.458 -7.466 -8.218 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.866 -9.417 -8.176 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.615 -9.156 -6.461 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.286 -9.301 -6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.095 -10.148 -7.883 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.205 -11.292 -6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.724 -10.976 -6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.055 -12.478 -5.519 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.631 -13.236 -4.964 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.299 -13.761 -4.711 1.00 0.00 H new ATOM 1115 N ASN A 72 -9.052 -4.404 -7.740 1.00 0.00 N ATOM 1116 CA ASN A 72 -9.468 -3.124 -8.286 1.00 0.00 C ATOM 1117 C ASN A 72 -8.346 -2.103 -8.092 1.00 0.00 C ATOM 1118 O ASN A 72 -8.588 -0.988 -7.631 1.00 0.00 O ATOM 1119 CB ASN A 72 -10.714 -2.598 -7.571 1.00 0.00 C ATOM 1120 CG ASN A 72 -11.913 -3.519 -7.810 1.00 0.00 C ATOM 1121 OD1 ASN A 72 -11.876 -4.432 -8.618 1.00 0.00 O ATOM 1122 ND2 ASN A 72 -12.975 -3.229 -7.064 1.00 0.00 N ATOM 0 H ASN A 72 -8.884 -4.404 -6.734 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.692 -3.266 -9.343 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.518 -2.520 -6.502 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.945 -1.594 -7.927 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.826 -3.785 -7.150 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.939 -2.450 -6.406 1.00 0.00 H new ATOM 1129 N LYS A 73 -7.141 -2.519 -8.453 1.00 0.00 N ATOM 1130 CA LYS A 73 -5.980 -1.654 -8.325 1.00 0.00 C ATOM 1131 C LYS A 73 -5.714 -0.963 -9.664 1.00 0.00 C ATOM 1132 O LYS A 73 -4.761 -0.196 -9.791 1.00 0.00 O ATOM 1133 CB LYS A 73 -4.782 -2.441 -7.790 1.00 0.00 C ATOM 1134 CG LYS A 73 -4.219 -3.378 -8.861 1.00 0.00 C ATOM 1135 CD LYS A 73 -2.692 -3.435 -8.790 1.00 0.00 C ATOM 1136 CE LYS A 73 -2.136 -4.462 -9.779 1.00 0.00 C ATOM 1137 NZ LYS A 73 -1.620 -3.788 -10.991 1.00 0.00 N ATOM 0 H LYS A 73 -6.943 -3.444 -8.834 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.169 -0.869 -7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.006 -1.750 -7.462 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.083 -3.020 -6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.631 -4.378 -8.727 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.528 -3.035 -9.848 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.277 -2.451 -9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.381 -3.694 -7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.338 -5.035 -9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.917 -5.170 -10.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.247 -4.499 -11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.390 -3.261 -11.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.860 -3.130 -10.725 1.00 0.00 H new ATOM 1151 N ALA A 74 -6.573 -1.260 -10.628 1.00 0.00 N ATOM 1152 CA ALA A 74 -6.442 -0.677 -11.952 1.00 0.00 C ATOM 1153 C ALA A 74 -7.438 0.475 -12.098 1.00 0.00 C ATOM 1154 O ALA A 74 -7.106 1.520 -12.656 1.00 0.00 O ATOM 1155 CB ALA A 74 -6.647 -1.763 -13.011 1.00 0.00 C ATOM 0 H ALA A 74 -7.362 -1.897 -10.518 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.442 -0.268 -12.094 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.549 -1.326 -14.005 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.897 -2.543 -12.882 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.642 -2.195 -12.901 1.00 0.00 H new ATOM 1161 N LYS A 75 -8.638 0.245 -11.588 1.00 0.00 N ATOM 1162 CA LYS A 75 -9.685 1.251 -11.654 1.00 0.00 C ATOM 1163 C LYS A 75 -9.403 2.343 -10.620 1.00 0.00 C ATOM 1164 O LYS A 75 -9.642 3.522 -10.876 1.00 0.00 O ATOM 1165 CB LYS A 75 -11.062 0.603 -11.503 1.00 0.00 C ATOM 1166 CG LYS A 75 -11.207 -0.065 -10.134 1.00 0.00 C ATOM 1167 CD LYS A 75 -12.070 -1.325 -10.227 1.00 0.00 C ATOM 1168 CE LYS A 75 -13.414 -1.122 -9.525 1.00 0.00 C ATOM 1169 NZ LYS A 75 -14.481 -1.873 -10.224 1.00 0.00 N ATOM 0 H LYS A 75 -8.909 -0.623 -11.127 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.690 1.731 -12.633 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.839 1.358 -11.627 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.208 -0.137 -12.290 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.222 -0.323 -9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.655 0.636 -9.429 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.237 -1.579 -11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.543 -2.165 -9.775 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.345 -1.456 -8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.663 -0.061 -9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.387 -1.725 -9.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.557 -1.536 -11.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.249 -2.887 -10.224 1.00 0.00 H new ATOM 1183 N ILE A 76 -8.898 1.912 -9.473 1.00 0.00 N ATOM 1184 CA ILE A 76 -8.581 2.838 -8.400 1.00 0.00 C ATOM 1185 C ILE A 76 -7.877 4.065 -8.982 1.00 0.00 C ATOM 1186 O ILE A 76 -7.106 3.950 -9.933 1.00 0.00 O ATOM 1187 CB ILE A 76 -7.781 2.133 -7.303 1.00 0.00 C ATOM 1188 CG1 ILE A 76 -8.710 1.416 -6.321 1.00 0.00 C ATOM 1189 CG2 ILE A 76 -6.843 3.111 -6.593 1.00 0.00 C ATOM 1190 CD1 ILE A 76 -7.928 0.441 -5.438 1.00 0.00 C ATOM 0 H ILE A 76 -8.701 0.933 -9.264 1.00 0.00 H new ATOM 0 HA ILE A 76 -9.494 3.192 -7.920 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.158 1.372 -7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.220 2.149 -5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.480 0.876 -6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.286 2.584 -5.818 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.146 3.536 -7.315 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.428 3.911 -6.139 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.612 -0.055 -4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.439 -0.305 -6.064 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.175 0.988 -4.870 1.00 0.00 H new ATOM 1202 N LYS A 77 -8.169 5.213 -8.387 1.00 0.00 N ATOM 1203 CA LYS A 77 -7.573 6.460 -8.834 1.00 0.00 C ATOM 1204 C LYS A 77 -7.460 7.420 -7.649 1.00 0.00 C ATOM 1205 O LYS A 77 -8.226 7.324 -6.691 1.00 0.00 O ATOM 1206 CB LYS A 77 -8.356 7.034 -10.017 1.00 0.00 C ATOM 1207 CG LYS A 77 -7.434 7.808 -10.961 1.00 0.00 C ATOM 1208 CD LYS A 77 -8.044 7.912 -12.361 1.00 0.00 C ATOM 1209 CE LYS A 77 -7.524 9.149 -13.095 1.00 0.00 C ATOM 1210 NZ LYS A 77 -7.803 9.047 -14.545 1.00 0.00 N ATOM 0 H LYS A 77 -8.810 5.305 -7.599 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.562 6.288 -9.203 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.844 6.225 -10.561 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.144 7.693 -9.651 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.256 8.807 -10.563 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.466 7.310 -11.018 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.803 7.017 -12.934 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.130 7.959 -12.286 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.996 10.044 -12.690 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.451 9.252 -12.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.443 9.895 -15.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.333 8.203 -14.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.829 8.971 -14.697 1.00 0.00 H new ATOM 1224 N PHE A 78 -6.497 8.326 -7.751 1.00 0.00 N ATOM 1225 CA PHE A 78 -6.274 9.303 -6.699 1.00 0.00 C ATOM 1226 C PHE A 78 -6.579 10.719 -7.192 1.00 0.00 C ATOM 1227 O PHE A 78 -6.081 11.137 -8.236 1.00 0.00 O ATOM 1228 CB PHE A 78 -4.795 9.216 -6.316 1.00 0.00 C ATOM 1229 CG PHE A 78 -4.472 8.089 -5.333 1.00 0.00 C ATOM 1230 CD1 PHE A 78 -4.905 6.824 -5.583 1.00 0.00 C ATOM 1231 CD2 PHE A 78 -3.752 8.352 -4.209 1.00 0.00 C ATOM 1232 CE1 PHE A 78 -4.605 5.778 -4.671 1.00 0.00 C ATOM 1233 CE2 PHE A 78 -3.452 7.305 -3.298 1.00 0.00 C ATOM 1234 CZ PHE A 78 -3.885 6.040 -3.548 1.00 0.00 C ATOM 0 H PHE A 78 -5.863 8.403 -8.546 1.00 0.00 H new ATOM 0 HA PHE A 78 -6.927 9.094 -5.852 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.204 9.076 -7.221 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.487 10.166 -5.878 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.477 6.615 -6.475 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.409 9.356 -4.010 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.949 4.774 -4.870 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.880 7.513 -2.406 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.657 5.244 -2.855 1.00 0.00 H new ATOM 1244 N ILE A 79 -7.395 11.418 -6.418 1.00 0.00 N ATOM 1245 CA ILE A 79 -7.772 12.778 -6.762 1.00 0.00 C ATOM 1246 C ILE A 79 -6.962 13.758 -5.913 1.00 0.00 C ATOM 1247 O ILE A 79 -6.767 13.536 -4.718 1.00 0.00 O ATOM 1248 CB ILE A 79 -9.286 12.962 -6.638 1.00 0.00 C ATOM 1249 CG1 ILE A 79 -10.033 11.733 -7.161 1.00 0.00 C ATOM 1250 CG2 ILE A 79 -9.741 14.248 -7.332 1.00 0.00 C ATOM 1251 CD1 ILE A 79 -9.403 11.219 -8.457 1.00 0.00 C ATOM 0 H ILE A 79 -7.806 11.068 -5.553 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.533 12.987 -7.805 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.532 13.062 -5.581 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.017 10.946 -6.408 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -11.079 11.986 -7.336 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.821 14.355 -7.229 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -9.246 15.104 -6.873 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -9.480 14.203 -8.389 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.953 10.345 -8.807 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.442 12.001 -9.216 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.364 10.944 -8.273 1.00 0.00 H new ATOM 1263 N ILE A 80 -6.511 14.822 -6.562 1.00 0.00 N ATOM 1264 CA ILE A 80 -5.725 15.837 -5.880 1.00 0.00 C ATOM 1265 C ILE A 80 -6.165 17.222 -6.359 1.00 0.00 C ATOM 1266 O ILE A 80 -5.932 17.588 -7.509 1.00 0.00 O ATOM 1267 CB ILE A 80 -4.230 15.569 -6.063 1.00 0.00 C ATOM 1268 CG1 ILE A 80 -3.904 14.093 -5.825 1.00 0.00 C ATOM 1269 CG2 ILE A 80 -3.395 16.491 -5.172 1.00 0.00 C ATOM 1270 CD1 ILE A 80 -2.470 13.923 -5.320 1.00 0.00 C ATOM 0 H ILE A 80 -6.675 15.003 -7.552 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.903 15.799 -4.805 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.967 15.794 -7.096 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.601 13.675 -5.099 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.036 13.534 -6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.336 16.280 -5.321 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.598 17.530 -5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.655 16.321 -4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.264 12.865 -5.159 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.774 14.320 -6.060 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.348 14.463 -4.381 1.00 0.00 H new ATOM 1282 N LYS A 81 -6.794 17.954 -5.451 1.00 0.00 N ATOM 1283 CA LYS A 81 -7.269 19.291 -5.766 1.00 0.00 C ATOM 1284 C LYS A 81 -6.283 20.321 -5.211 1.00 0.00 C ATOM 1285 O LYS A 81 -6.376 21.507 -5.526 1.00 0.00 O ATOM 1286 CB LYS A 81 -8.702 19.481 -5.267 1.00 0.00 C ATOM 1287 CG LYS A 81 -9.622 18.385 -5.809 1.00 0.00 C ATOM 1288 CD LYS A 81 -11.088 18.699 -5.505 1.00 0.00 C ATOM 1289 CE LYS A 81 -11.957 17.448 -5.648 1.00 0.00 C ATOM 1290 NZ LYS A 81 -13.288 17.801 -6.192 1.00 0.00 N ATOM 0 H LYS A 81 -6.986 17.647 -4.497 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.310 19.437 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.716 19.466 -4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.072 20.458 -5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.483 18.288 -6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.352 17.427 -5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.177 19.094 -4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.446 19.474 -6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.467 16.731 -6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.071 16.964 -4.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.865 16.941 -6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.760 18.468 -5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.175 18.242 -7.127 1.00 0.00 H new ATOM 1304 N LYS A 82 -5.361 19.831 -4.395 1.00 0.00 N ATOM 1305 CA LYS A 82 -4.359 20.695 -3.794 1.00 0.00 C ATOM 1306 C LYS A 82 -3.044 19.924 -3.657 1.00 0.00 C ATOM 1307 O LYS A 82 -2.706 19.454 -2.571 1.00 0.00 O ATOM 1308 CB LYS A 82 -4.873 21.274 -2.474 1.00 0.00 C ATOM 1309 CG LYS A 82 -6.095 22.165 -2.706 1.00 0.00 C ATOM 1310 CD LYS A 82 -6.224 23.217 -1.602 1.00 0.00 C ATOM 1311 CE LYS A 82 -7.126 24.370 -2.047 1.00 0.00 C ATOM 1312 NZ LYS A 82 -8.290 24.497 -1.141 1.00 0.00 N ATOM 0 H LYS A 82 -5.287 18.847 -4.136 1.00 0.00 H new ATOM 0 HA LYS A 82 -4.161 21.553 -4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.133 20.463 -1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.083 21.852 -1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.012 22.658 -3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.996 21.552 -2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.633 22.757 -0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.237 23.601 -1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.559 25.301 -2.053 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.469 24.198 -3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.892 25.284 -1.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.839 23.614 -1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -7.958 24.682 -0.173 1.00 0.00 H new ATOM 1326 N PRO A 83 -2.319 19.816 -4.802 1.00 0.00 N ATOM 1327 CA PRO A 83 -1.049 19.111 -4.820 1.00 0.00 C ATOM 1328 C PRO A 83 0.051 19.946 -4.162 1.00 0.00 C ATOM 1329 O PRO A 83 1.156 19.455 -3.935 1.00 0.00 O ATOM 1330 CB PRO A 83 -0.779 18.824 -6.288 1.00 0.00 C ATOM 1331 CG PRO A 83 -1.666 19.779 -7.069 1.00 0.00 C ATOM 1332 CD PRO A 83 -2.688 20.360 -6.106 1.00 0.00 C ATOM 0 HA PRO A 83 -1.074 18.185 -4.245 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.272 18.981 -6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.011 17.787 -6.532 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.069 20.573 -7.517 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.165 19.256 -7.885 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.656 21.450 -6.104 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.702 20.072 -6.383 1.00 0.00 H new ATOM 1340 N GLU A 84 -0.289 21.194 -3.874 1.00 0.00 N ATOM 1341 CA GLU A 84 0.656 22.101 -3.247 1.00 0.00 C ATOM 1342 C GLU A 84 0.919 21.677 -1.800 1.00 0.00 C ATOM 1343 O GLU A 84 2.049 21.759 -1.322 1.00 0.00 O ATOM 1344 CB GLU A 84 0.155 23.545 -3.312 1.00 0.00 C ATOM 1345 CG GLU A 84 -1.068 23.743 -2.413 1.00 0.00 C ATOM 1346 CD GLU A 84 -1.938 24.897 -2.915 1.00 0.00 C ATOM 1347 OE1 GLU A 84 -2.535 24.727 -4.000 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -1.985 25.923 -2.203 1.00 0.00 O ATOM 0 H GLU A 84 -1.206 21.598 -4.064 1.00 0.00 H new ATOM 0 HA GLU A 84 1.596 22.052 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.950 24.224 -3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.101 23.799 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.656 22.825 -2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.744 23.945 -1.392 1.00 0.00 H new ATOM 1355 N MET A 85 -0.143 21.232 -1.145 1.00 0.00 N ATOM 1356 CA MET A 85 -0.040 20.795 0.237 1.00 0.00 C ATOM 1357 C MET A 85 0.622 19.419 0.329 1.00 0.00 C ATOM 1358 O MET A 85 0.973 18.966 1.417 1.00 0.00 O ATOM 1359 CB MET A 85 -1.437 20.731 0.857 1.00 0.00 C ATOM 1360 CG MET A 85 -2.035 22.132 1.008 1.00 0.00 C ATOM 1361 SD MET A 85 -2.019 22.620 2.725 1.00 0.00 S ATOM 1362 CE MET A 85 -3.310 21.563 3.359 1.00 0.00 C ATOM 0 H MET A 85 -1.079 21.165 -1.545 1.00 0.00 H new ATOM 0 HA MET A 85 0.577 21.511 0.780 1.00 0.00 H new ATOM 0 HB2 MET A 85 -2.088 20.119 0.233 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.384 20.247 1.832 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.465 22.846 0.413 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.056 22.144 0.627 1.00 0.00 H new ATOM 0 HE1 MET A 85 -4.080 22.173 3.831 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.749 20.994 2.540 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.890 20.876 4.094 1.00 0.00 H new ATOM 1372 N PHE A 86 0.774 18.792 -0.829 1.00 0.00 N ATOM 1373 CA PHE A 86 1.388 17.477 -0.893 1.00 0.00 C ATOM 1374 C PHE A 86 2.914 17.581 -0.845 1.00 0.00 C ATOM 1375 O PHE A 86 3.579 16.736 -0.248 1.00 0.00 O ATOM 1376 CB PHE A 86 0.974 16.854 -2.227 1.00 0.00 C ATOM 1377 CG PHE A 86 0.072 15.626 -2.087 1.00 0.00 C ATOM 1378 CD1 PHE A 86 -1.194 15.762 -1.610 1.00 0.00 C ATOM 1379 CD2 PHE A 86 0.537 14.397 -2.440 1.00 0.00 C ATOM 1380 CE1 PHE A 86 -2.031 14.623 -1.480 1.00 0.00 C ATOM 1381 CE2 PHE A 86 -0.300 13.257 -2.310 1.00 0.00 C ATOM 1382 CZ PHE A 86 -1.567 13.394 -1.833 1.00 0.00 C ATOM 0 H PHE A 86 0.482 19.171 -1.730 1.00 0.00 H new ATOM 0 HA PHE A 86 1.064 16.874 -0.044 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.457 17.606 -2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.871 16.572 -2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.563 16.738 -1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.542 14.288 -2.819 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.036 14.732 -1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.069 12.281 -2.590 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.204 12.527 -1.735 1.00 0.00 H new ATOM 1392 N GLU A 87 3.424 18.626 -1.481 1.00 0.00 N ATOM 1393 CA GLU A 87 4.859 18.852 -1.518 1.00 0.00 C ATOM 1394 C GLU A 87 5.481 18.541 -0.155 1.00 0.00 C ATOM 1395 O GLU A 87 6.456 17.798 -0.069 1.00 0.00 O ATOM 1396 CB GLU A 87 5.177 20.284 -1.953 1.00 0.00 C ATOM 1397 CG GLU A 87 6.017 20.295 -3.232 1.00 0.00 C ATOM 1398 CD GLU A 87 7.314 21.080 -3.029 1.00 0.00 C ATOM 1399 OE1 GLU A 87 8.295 20.449 -2.580 1.00 0.00 O ATOM 1400 OE2 GLU A 87 7.295 22.294 -3.328 1.00 0.00 O ATOM 0 H GLU A 87 2.869 19.325 -1.975 1.00 0.00 H new ATOM 0 HA GLU A 87 5.295 18.178 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.249 20.832 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.714 20.799 -1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.249 19.272 -3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.442 20.739 -4.045 1.00 0.00 H new ATOM 1407 N THR A 88 4.890 19.127 0.876 1.00 0.00 N ATOM 1408 CA THR A 88 5.374 18.922 2.231 1.00 0.00 C ATOM 1409 C THR A 88 5.632 17.436 2.486 1.00 0.00 C ATOM 1410 O THR A 88 6.654 17.070 3.066 1.00 0.00 O ATOM 1411 CB THR A 88 4.356 19.536 3.194 1.00 0.00 C ATOM 1412 OG1 THR A 88 4.520 20.941 3.024 1.00 0.00 O ATOM 1413 CG2 THR A 88 4.717 19.294 4.661 1.00 0.00 C ATOM 0 H THR A 88 4.081 19.743 0.801 1.00 0.00 H new ATOM 0 HA THR A 88 6.332 19.417 2.388 1.00 0.00 H new ATOM 0 HB THR A 88 3.369 19.122 2.990 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.896 21.417 3.611 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.962 19.750 5.301 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.757 18.222 4.854 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.690 19.737 4.874 1.00 0.00 H new ATOM 1421 N ALA A 89 4.688 16.619 2.041 1.00 0.00 N ATOM 1422 CA ALA A 89 4.801 15.181 2.214 1.00 0.00 C ATOM 1423 C ALA A 89 5.942 14.654 1.341 1.00 0.00 C ATOM 1424 O ALA A 89 6.884 14.045 1.845 1.00 0.00 O ATOM 1425 CB ALA A 89 3.461 14.520 1.884 1.00 0.00 C ATOM 0 H ALA A 89 3.842 16.926 1.561 1.00 0.00 H new ATOM 0 HA ALA A 89 5.039 14.937 3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.546 13.441 2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.691 14.906 2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.191 14.741 0.851 1.00 0.00 H new ATOM 1431 N ILE A 90 5.819 14.909 0.046 1.00 0.00 N ATOM 1432 CA ILE A 90 6.828 14.468 -0.902 1.00 0.00 C ATOM 1433 C ILE A 90 8.215 14.843 -0.375 1.00 0.00 C ATOM 1434 O ILE A 90 9.153 14.053 -0.470 1.00 0.00 O ATOM 1435 CB ILE A 90 6.530 15.021 -2.297 1.00 0.00 C ATOM 1436 CG1 ILE A 90 5.231 14.433 -2.854 1.00 0.00 C ATOM 1437 CG2 ILE A 90 7.713 14.794 -3.241 1.00 0.00 C ATOM 1438 CD1 ILE A 90 4.248 15.540 -3.237 1.00 0.00 C ATOM 0 H ILE A 90 5.036 15.415 -0.368 1.00 0.00 H new ATOM 0 HA ILE A 90 6.808 13.383 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 90 6.386 16.098 -2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.451 13.819 -3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.776 13.779 -2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.475 15.196 -4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.595 15.298 -2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.912 13.726 -3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.334 15.095 -3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.012 16.137 -2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.697 16.178 -3.998 1.00 0.00 H new ATOM 1450 N LYS A 91 8.300 16.048 0.168 1.00 0.00 N ATOM 1451 CA LYS A 91 9.557 16.538 0.709 1.00 0.00 C ATOM 1452 C LYS A 91 9.953 15.685 1.916 1.00 0.00 C ATOM 1453 O LYS A 91 11.082 15.201 1.995 1.00 0.00 O ATOM 1454 CB LYS A 91 9.461 18.033 1.018 1.00 0.00 C ATOM 1455 CG LYS A 91 10.081 18.865 -0.107 1.00 0.00 C ATOM 1456 CD LYS A 91 10.196 20.336 0.299 1.00 0.00 C ATOM 1457 CE LYS A 91 11.557 20.910 -0.098 1.00 0.00 C ATOM 1458 NZ LYS A 91 11.450 21.668 -1.364 1.00 0.00 N ATOM 0 H LYS A 91 7.519 16.700 0.245 1.00 0.00 H new ATOM 0 HA LYS A 91 10.354 16.439 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.416 18.315 1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.970 18.248 1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.068 18.473 -0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.471 18.779 -1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.402 20.911 -0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.057 20.432 1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.928 21.562 0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.280 20.102 -0.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.383 22.051 -1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.116 21.036 -2.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.776 22.451 -1.244 1.00 0.00 H new