USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 662 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 31 TYR OH : rot 110:sc= 0.624 USER MOD Set 1.2: A 38 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 25 LYS NZ :NH3+ 138:sc= 1.12 (180deg=-0.0945) USER MOD Set 2.2: A 29 ASN : amide:sc= -2.43! C(o=-1.3!,f=-12!) USER MOD Single : A 12 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=-0.0012) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -168:sc= -1.28 (180deg=-1.62) USER MOD Single : A 27 MET CE :methyl -168:sc= 0 (180deg=-0.116) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -160:sc= 0.556 (180deg=-0.042) USER MOD Single : A 52 HIS : no HE2:sc= 0.173 K(o=0.17,f=-2.3!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 148:sc= 0.784 (180deg=-1.23) USER MOD Single : A 65 ASN : amide:sc= -4.42! C(o=-4.4!,f=-5.9!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.196 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.833 F(o=-2.3,f=-0.83) USER MOD Single : A 77 CYS SG : rot 180:sc= -0.139 USER MOD Single : A 83 THR OG1 : rot -130:sc= -0.138 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -165:sc= -0.0327 (180deg=-0.258) USER MOD ----------------------------------------------------------------- ATOM 79 N PRO A 6 5.608 -5.525 8.589 1.00 0.03 N ATOM 80 CA PRO A 6 5.653 -6.197 9.903 1.00 41.12 C ATOM 81 C PRO A 6 4.265 -6.444 10.528 1.00 0.33 C ATOM 82 O PRO A 6 3.425 -5.544 10.590 1.00 21.30 O ATOM 83 CB PRO A 6 6.459 -5.219 10.767 1.00 73.14 C ATOM 84 CG PRO A 6 7.350 -4.519 9.802 1.00 73.11 C ATOM 85 CD PRO A 6 6.556 -4.387 8.526 1.00 63.31 C ATOM 0 HA PRO A 6 6.086 -7.194 9.819 1.00 41.12 H new ATOM 0 HB2 PRO A 6 5.807 -4.517 11.286 1.00 73.14 H new ATOM 0 HB3 PRO A 6 7.034 -5.744 11.530 1.00 73.14 H new ATOM 0 HG2 PRO A 6 7.645 -3.541 10.182 1.00 73.11 H new ATOM 0 HG3 PRO A 6 8.266 -5.085 9.635 1.00 73.11 H new ATOM 0 HD2 PRO A 6 6.034 -3.432 8.475 1.00 63.31 H new ATOM 0 HD3 PRO A 6 7.197 -4.447 7.646 1.00 63.31 H new ATOM 93 N ILE A 7 4.039 -7.671 10.996 1.00 3.42 N ATOM 94 CA ILE A 7 2.783 -8.037 11.658 1.00 45.45 C ATOM 95 C ILE A 7 2.746 -7.479 13.090 1.00 20.22 C ATOM 96 O ILE A 7 3.471 -7.948 13.966 1.00 13.55 O ATOM 97 CB ILE A 7 2.581 -9.583 11.705 1.00 71.41 C ATOM 98 CG1 ILE A 7 2.475 -10.187 10.285 1.00 1.23 C ATOM 99 CG2 ILE A 7 1.339 -9.943 12.523 1.00 11.24 C ATOM 100 CD1 ILE A 7 3.775 -10.212 9.507 1.00 5.40 C ATOM 0 H ILE A 7 4.713 -8.434 10.929 1.00 3.42 H new ATOM 0 HA ILE A 7 1.974 -7.602 11.071 1.00 45.45 H new ATOM 0 HB ILE A 7 3.459 -10.010 12.189 1.00 71.41 H new ATOM 0 HG12 ILE A 7 2.097 -11.206 10.366 1.00 1.23 H new ATOM 0 HG13 ILE A 7 1.739 -9.618 9.717 1.00 1.23 H new ATOM 0 HG21 ILE A 7 1.217 -11.026 12.542 1.00 11.24 H new ATOM 0 HG22 ILE A 7 1.454 -9.572 13.542 1.00 11.24 H new ATOM 0 HG23 ILE A 7 0.459 -9.487 12.068 1.00 11.24 H new ATOM 0 HD11 ILE A 7 3.603 -10.652 8.525 1.00 5.40 H new ATOM 0 HD12 ILE A 7 4.148 -9.195 9.388 1.00 5.40 H new ATOM 0 HD13 ILE A 7 4.511 -10.807 10.047 1.00 5.40 H new ATOM 112 N GLU A 8 1.915 -6.463 13.314 1.00 23.03 N ATOM 113 CA GLU A 8 1.816 -5.813 14.627 1.00 5.41 C ATOM 114 C GLU A 8 0.738 -6.480 15.501 1.00 11.23 C ATOM 115 O GLU A 8 -0.431 -6.564 15.113 1.00 12.23 O ATOM 116 CB GLU A 8 1.525 -4.310 14.435 1.00 2.21 C ATOM 117 CG GLU A 8 1.619 -3.461 15.709 1.00 1.32 C ATOM 118 CD GLU A 8 0.339 -3.450 16.536 1.00 55.15 C ATOM 119 OE1 GLU A 8 -0.567 -2.651 16.226 1.00 22.43 O ATOM 120 OE2 GLU A 8 0.237 -4.225 17.507 1.00 24.21 O ATOM 0 H GLU A 8 1.298 -6.069 12.604 1.00 23.03 H new ATOM 0 HA GLU A 8 2.766 -5.927 15.149 1.00 5.41 H new ATOM 0 HB2 GLU A 8 2.224 -3.912 13.699 1.00 2.21 H new ATOM 0 HB3 GLU A 8 0.524 -4.200 14.017 1.00 2.21 H new ATOM 0 HG2 GLU A 8 2.436 -3.837 16.325 1.00 1.32 H new ATOM 0 HG3 GLU A 8 1.872 -2.437 15.434 1.00 1.32 H new ATOM 127 N ILE A 9 1.143 -6.970 16.675 1.00 53.41 N ATOM 128 CA ILE A 9 0.219 -7.609 17.623 1.00 53.14 C ATOM 129 C ILE A 9 0.433 -7.075 19.055 1.00 21.21 C ATOM 130 O ILE A 9 1.515 -7.233 19.630 1.00 33.45 O ATOM 131 CB ILE A 9 0.397 -9.153 17.635 1.00 22.00 C ATOM 132 CG1 ILE A 9 0.215 -9.734 16.221 1.00 41.22 C ATOM 133 CG2 ILE A 9 -0.585 -9.800 18.617 1.00 41.24 C ATOM 134 CD1 ILE A 9 0.427 -11.233 16.141 1.00 64.33 C ATOM 0 H ILE A 9 2.111 -6.937 16.996 1.00 53.41 H new ATOM 0 HA ILE A 9 -0.790 -7.366 17.290 1.00 53.14 H new ATOM 0 HB ILE A 9 1.411 -9.378 17.966 1.00 22.00 H new ATOM 0 HG12 ILE A 9 -0.790 -9.500 15.869 1.00 41.22 H new ATOM 0 HG13 ILE A 9 0.913 -9.242 15.544 1.00 41.22 H new ATOM 0 HG21 ILE A 9 -0.446 -10.881 18.612 1.00 41.24 H new ATOM 0 HG22 ILE A 9 -0.403 -9.415 19.620 1.00 41.24 H new ATOM 0 HG23 ILE A 9 -1.606 -9.564 18.318 1.00 41.24 H new ATOM 0 HD11 ILE A 9 0.281 -11.567 15.114 1.00 64.33 H new ATOM 0 HD12 ILE A 9 1.441 -11.475 16.461 1.00 64.33 H new ATOM 0 HD13 ILE A 9 -0.288 -11.737 16.791 1.00 64.33 H new ATOM 146 N ALA A 10 -0.590 -6.418 19.609 1.00 2.42 N ATOM 147 CA ALA A 10 -0.565 -5.937 21.003 1.00 71.11 C ATOM 148 C ALA A 10 0.585 -4.944 21.270 1.00 31.50 C ATOM 149 O ALA A 10 1.066 -4.819 22.400 1.00 13.14 O ATOM 150 CB ALA A 10 -0.483 -7.121 21.967 1.00 15.51 C ATOM 0 H ALA A 10 -1.455 -6.203 19.113 1.00 2.42 H new ATOM 0 HA ALA A 10 -1.495 -5.394 21.171 1.00 71.11 H new ATOM 0 HB1 ALA A 10 -0.465 -6.754 22.993 1.00 15.51 H new ATOM 0 HB2 ALA A 10 -1.351 -7.765 21.827 1.00 15.51 H new ATOM 0 HB3 ALA A 10 0.426 -7.689 21.769 1.00 15.51 H new ATOM 156 N GLY A 11 1.007 -4.224 20.230 1.00 0.02 N ATOM 157 CA GLY A 11 2.090 -3.251 20.366 1.00 10.31 C ATOM 158 C GLY A 11 3.457 -3.801 19.960 1.00 45.12 C ATOM 159 O GLY A 11 4.466 -3.095 20.032 1.00 44.44 O ATOM 0 H GLY A 11 0.618 -4.296 19.290 1.00 0.02 H new ATOM 0 HA2 GLY A 11 1.862 -2.378 19.755 1.00 10.31 H new ATOM 0 HA3 GLY A 11 2.136 -2.912 21.401 1.00 10.31 H new ATOM 163 N HIS A 12 3.491 -5.061 19.534 1.00 71.23 N ATOM 164 CA HIS A 12 4.738 -5.709 19.108 1.00 63.42 C ATOM 165 C HIS A 12 4.698 -6.043 17.607 1.00 65.54 C ATOM 166 O HIS A 12 3.933 -6.907 17.181 1.00 23.50 O ATOM 167 CB HIS A 12 4.963 -6.995 19.917 1.00 42.10 C ATOM 168 CG HIS A 12 4.993 -6.788 21.404 1.00 24.14 C ATOM 169 ND1 HIS A 12 6.158 -6.766 22.138 1.00 62.00 N ATOM 170 CD2 HIS A 12 3.988 -6.615 22.300 1.00 1.03 C ATOM 171 CE1 HIS A 12 5.873 -6.593 23.414 1.00 11.41 C ATOM 172 NE2 HIS A 12 4.565 -6.498 23.541 1.00 15.51 N ATOM 0 H HIS A 12 2.667 -5.660 19.473 1.00 71.23 H new ATOM 0 HA HIS A 12 5.561 -5.017 19.287 1.00 63.42 H new ATOM 0 HB2 HIS A 12 4.173 -7.706 19.676 1.00 42.10 H new ATOM 0 HB3 HIS A 12 5.904 -7.447 19.605 1.00 42.10 H new ATOM 0 HD2 HIS A 12 2.932 -6.577 22.078 1.00 1.03 H new ATOM 0 HE1 HIS A 12 6.591 -6.538 24.219 1.00 11.41 H new ATOM 0 HE2 HIS A 12 4.063 -6.360 24.418 1.00 15.51 H new ATOM 181 N GLU A 13 5.513 -5.360 16.807 1.00 4.32 N ATOM 182 CA GLU A 13 5.557 -5.614 15.362 1.00 31.24 C ATOM 183 C GLU A 13 6.624 -6.664 15.015 1.00 22.05 C ATOM 184 O GLU A 13 7.740 -6.641 15.543 1.00 2.23 O ATOM 185 CB GLU A 13 5.800 -4.314 14.565 1.00 22.25 C ATOM 186 CG GLU A 13 7.135 -3.616 14.842 1.00 70.54 C ATOM 187 CD GLU A 13 7.142 -2.818 16.137 1.00 11.22 C ATOM 188 OE1 GLU A 13 6.738 -1.635 16.112 1.00 34.51 O ATOM 189 OE2 GLU A 13 7.553 -3.365 17.181 1.00 42.13 O ATOM 0 H GLU A 13 6.149 -4.630 17.128 1.00 4.32 H new ATOM 0 HA GLU A 13 4.582 -6.007 15.074 1.00 31.24 H new ATOM 0 HB2 GLU A 13 5.743 -4.544 13.501 1.00 22.25 H new ATOM 0 HB3 GLU A 13 4.992 -3.616 14.784 1.00 22.25 H new ATOM 0 HG2 GLU A 13 7.927 -4.364 14.881 1.00 70.54 H new ATOM 0 HG3 GLU A 13 7.367 -2.949 14.012 1.00 70.54 H new ATOM 196 N PHE A 14 6.265 -7.597 14.139 1.00 42.34 N ATOM 197 CA PHE A 14 7.181 -8.661 13.707 1.00 3.04 C ATOM 198 C PHE A 14 7.476 -8.558 12.201 1.00 3.21 C ATOM 199 O PHE A 14 6.570 -8.680 11.376 1.00 72.20 O ATOM 200 CB PHE A 14 6.578 -10.031 14.041 1.00 71.41 C ATOM 201 CG PHE A 14 6.204 -10.176 15.494 1.00 1.32 C ATOM 202 CD1 PHE A 14 7.159 -10.516 16.442 1.00 1.35 C ATOM 203 CD2 PHE A 14 4.899 -9.964 15.915 1.00 41.24 C ATOM 204 CE1 PHE A 14 6.823 -10.639 17.774 1.00 53.02 C ATOM 205 CE2 PHE A 14 4.558 -10.086 17.247 1.00 72.11 C ATOM 206 CZ PHE A 14 5.521 -10.425 18.178 1.00 70.41 C ATOM 0 H PHE A 14 5.341 -7.642 13.709 1.00 42.34 H new ATOM 0 HA PHE A 14 8.124 -8.544 14.241 1.00 3.04 H new ATOM 0 HB2 PHE A 14 5.692 -10.190 13.427 1.00 71.41 H new ATOM 0 HB3 PHE A 14 7.293 -10.810 13.777 1.00 71.41 H new ATOM 0 HD1 PHE A 14 8.179 -10.687 16.132 1.00 1.35 H new ATOM 0 HD2 PHE A 14 4.141 -9.700 15.192 1.00 41.24 H new ATOM 0 HE1 PHE A 14 7.578 -10.902 18.500 1.00 53.02 H new ATOM 0 HE2 PHE A 14 3.539 -9.917 17.561 1.00 72.11 H new ATOM 0 HZ PHE A 14 5.255 -10.522 19.220 1.00 70.41 H new ATOM 216 N ALA A 15 8.747 -8.345 11.852 1.00 75.31 N ATOM 217 CA ALA A 15 9.156 -8.110 10.453 1.00 50.21 C ATOM 218 C ALA A 15 8.699 -9.227 9.489 1.00 41.32 C ATOM 219 O ALA A 15 8.508 -8.989 8.295 1.00 45.05 O ATOM 220 CB ALA A 15 10.669 -7.937 10.377 1.00 41.41 C ATOM 0 H ALA A 15 9.519 -8.329 12.518 1.00 75.31 H new ATOM 0 HA ALA A 15 8.658 -7.197 10.128 1.00 50.21 H new ATOM 0 HB1 ALA A 15 10.964 -7.764 9.342 1.00 41.41 H new ATOM 0 HB2 ALA A 15 10.969 -7.085 10.987 1.00 41.41 H new ATOM 0 HB3 ALA A 15 11.157 -8.838 10.748 1.00 41.41 H new ATOM 226 N ARG A 16 8.530 -10.439 10.013 1.00 14.13 N ATOM 227 CA ARG A 16 8.101 -11.588 9.203 1.00 2.02 C ATOM 228 C ARG A 16 7.079 -12.455 9.956 1.00 20.45 C ATOM 229 O ARG A 16 7.057 -12.480 11.187 1.00 71.02 O ATOM 230 CB ARG A 16 9.323 -12.429 8.802 1.00 31.22 C ATOM 231 CG ARG A 16 10.179 -12.873 9.985 1.00 32.35 C ATOM 232 CD ARG A 16 11.388 -13.692 9.543 1.00 55.13 C ATOM 233 NE ARG A 16 12.268 -14.006 10.664 1.00 5.15 N ATOM 234 CZ ARG A 16 13.398 -14.648 10.557 1.00 11.44 C ATOM 235 NH1 ARG A 16 13.799 -15.094 9.411 1.00 43.11 N ATOM 236 NH2 ARG A 16 14.124 -14.842 11.607 1.00 54.14 N ATOM 0 H ARG A 16 8.683 -10.656 10.998 1.00 14.13 H new ATOM 0 HA ARG A 16 7.615 -11.208 8.304 1.00 2.02 H new ATOM 0 HB2 ARG A 16 8.983 -13.311 8.260 1.00 31.22 H new ATOM 0 HB3 ARG A 16 9.941 -11.851 8.115 1.00 31.22 H new ATOM 0 HG2 ARG A 16 10.518 -11.996 10.536 1.00 32.35 H new ATOM 0 HG3 ARG A 16 9.571 -13.465 10.670 1.00 32.35 H new ATOM 0 HD2 ARG A 16 11.050 -14.617 9.076 1.00 55.13 H new ATOM 0 HD3 ARG A 16 11.945 -13.139 8.787 1.00 55.13 H new ATOM 0 HE ARG A 16 11.980 -13.703 11.594 1.00 5.15 H new ATOM 0 HH11 ARG A 16 13.229 -14.945 8.578 1.00 43.11 H new ATOM 0 HH12 ARG A 16 14.685 -15.595 9.340 1.00 43.11 H new ATOM 0 HH21 ARG A 16 13.813 -14.494 12.514 1.00 54.14 H new ATOM 0 HH22 ARG A 16 15.009 -15.343 11.530 1.00 54.14 H new ATOM 250 N LYS A 17 6.246 -13.169 9.198 1.00 43.43 N ATOM 251 CA LYS A 17 5.185 -14.019 9.764 1.00 22.30 C ATOM 252 C LYS A 17 5.716 -14.950 10.869 1.00 11.51 C ATOM 253 O LYS A 17 5.135 -15.052 11.952 1.00 33.53 O ATOM 254 CB LYS A 17 4.561 -14.871 8.651 1.00 74.31 C ATOM 255 CG LYS A 17 3.266 -15.573 9.047 1.00 4.03 C ATOM 256 CD LYS A 17 2.085 -14.604 9.084 1.00 62.22 C ATOM 257 CE LYS A 17 0.796 -15.307 9.485 1.00 11.13 C ATOM 258 NZ LYS A 17 -0.405 -14.478 9.209 1.00 34.31 N ATOM 0 H LYS A 17 6.283 -13.178 8.179 1.00 43.43 H new ATOM 0 HA LYS A 17 4.439 -13.359 10.208 1.00 22.30 H new ATOM 0 HB2 LYS A 17 4.366 -14.234 7.788 1.00 74.31 H new ATOM 0 HB3 LYS A 17 5.285 -15.622 8.335 1.00 74.31 H new ATOM 0 HG2 LYS A 17 3.056 -16.375 8.340 1.00 4.03 H new ATOM 0 HG3 LYS A 17 3.388 -16.035 10.026 1.00 4.03 H new ATOM 0 HD2 LYS A 17 2.296 -13.799 9.789 1.00 62.22 H new ATOM 0 HD3 LYS A 17 1.960 -14.145 8.104 1.00 62.22 H new ATOM 0 HE2 LYS A 17 0.716 -16.251 8.945 1.00 11.13 H new ATOM 0 HE3 LYS A 17 0.832 -15.549 10.547 1.00 11.13 H new ATOM 0 HZ1 LYS A 17 -1.259 -14.997 9.498 1.00 34.31 H new ATOM 0 HZ2 LYS A 17 -0.343 -13.588 9.744 1.00 34.31 H new ATOM 0 HZ3 LYS A 17 -0.455 -14.268 8.192 1.00 34.31 H new ATOM 272 N ALA A 18 6.826 -15.626 10.576 1.00 60.11 N ATOM 273 CA ALA A 18 7.419 -16.607 11.493 1.00 3.24 C ATOM 274 C ALA A 18 7.933 -15.973 12.799 1.00 3.21 C ATOM 275 O ALA A 18 8.013 -16.644 13.828 1.00 31.42 O ATOM 276 CB ALA A 18 8.550 -17.352 10.793 1.00 73.51 C ATOM 0 H ALA A 18 7.340 -15.512 9.702 1.00 60.11 H new ATOM 0 HA ALA A 18 6.628 -17.303 11.771 1.00 3.24 H new ATOM 0 HB1 ALA A 18 8.986 -18.079 11.479 1.00 73.51 H new ATOM 0 HB2 ALA A 18 8.158 -17.869 9.917 1.00 73.51 H new ATOM 0 HB3 ALA A 18 9.316 -16.642 10.482 1.00 73.51 H new ATOM 282 N ASP A 19 8.264 -14.682 12.760 1.00 63.31 N ATOM 283 CA ASP A 19 8.816 -13.994 13.935 1.00 62.24 C ATOM 284 C ASP A 19 7.786 -13.949 15.083 1.00 12.21 C ATOM 285 O ASP A 19 8.133 -14.098 16.258 1.00 43.32 O ATOM 286 CB ASP A 19 9.273 -12.578 13.542 1.00 40.42 C ATOM 287 CG ASP A 19 10.104 -11.895 14.618 1.00 23.13 C ATOM 288 OD1 ASP A 19 10.962 -12.563 15.229 1.00 44.14 O ATOM 289 OD2 ASP A 19 9.922 -10.682 14.845 1.00 4.45 O ATOM 0 H ASP A 19 8.162 -14.092 11.934 1.00 63.31 H new ATOM 0 HA ASP A 19 9.681 -14.551 14.295 1.00 62.24 H new ATOM 0 HB2 ASP A 19 9.856 -12.634 12.623 1.00 40.42 H new ATOM 0 HB3 ASP A 19 8.396 -11.967 13.327 1.00 40.42 H new ATOM 294 N ALA A 20 6.512 -13.766 14.728 1.00 4.12 N ATOM 295 CA ALA A 20 5.417 -13.811 15.707 1.00 11.14 C ATOM 296 C ALA A 20 5.310 -15.201 16.350 1.00 23.23 C ATOM 297 O ALA A 20 5.092 -15.332 17.559 1.00 42.14 O ATOM 298 CB ALA A 20 4.100 -13.430 15.040 1.00 11.33 C ATOM 0 H ALA A 20 6.211 -13.585 13.770 1.00 4.12 H new ATOM 0 HA ALA A 20 5.634 -13.091 16.496 1.00 11.14 H new ATOM 0 HB1 ALA A 20 3.296 -13.467 15.775 1.00 11.33 H new ATOM 0 HB2 ALA A 20 4.176 -12.421 14.635 1.00 11.33 H new ATOM 0 HB3 ALA A 20 3.886 -14.130 14.232 1.00 11.33 H new ATOM 304 N LEU A 21 5.478 -16.235 15.527 1.00 11.12 N ATOM 305 CA LEU A 21 5.466 -17.623 16.000 1.00 13.01 C ATOM 306 C LEU A 21 6.647 -17.884 16.952 1.00 42.31 C ATOM 307 O LEU A 21 6.508 -18.583 17.961 1.00 3.14 O ATOM 308 CB LEU A 21 5.528 -18.584 14.804 1.00 41.21 C ATOM 309 CG LEU A 21 4.402 -18.412 13.769 1.00 32.34 C ATOM 310 CD1 LEU A 21 4.638 -19.310 12.559 1.00 13.24 C ATOM 311 CD2 LEU A 21 3.039 -18.703 14.396 1.00 73.31 C ATOM 0 H LEU A 21 5.625 -16.139 14.522 1.00 11.12 H new ATOM 0 HA LEU A 21 4.540 -17.795 16.548 1.00 13.01 H new ATOM 0 HB2 LEU A 21 6.486 -18.452 14.301 1.00 41.21 H new ATOM 0 HB3 LEU A 21 5.503 -19.607 15.178 1.00 41.21 H new ATOM 0 HG LEU A 21 4.408 -17.375 13.432 1.00 32.34 H new ATOM 0 HD11 LEU A 21 3.830 -19.172 11.840 1.00 13.24 H new ATOM 0 HD12 LEU A 21 5.588 -19.049 12.092 1.00 13.24 H new ATOM 0 HD13 LEU A 21 4.665 -20.352 12.879 1.00 13.24 H new ATOM 0 HD21 LEU A 21 2.259 -18.575 13.646 1.00 73.31 H new ATOM 0 HD22 LEU A 21 3.021 -19.728 14.768 1.00 73.31 H new ATOM 0 HD23 LEU A 21 2.864 -18.014 15.222 1.00 73.31 H new ATOM 323 N ALA A 22 7.804 -17.308 16.622 1.00 31.44 N ATOM 324 CA ALA A 22 9.001 -17.416 17.465 1.00 34.23 C ATOM 325 C ALA A 22 8.771 -16.777 18.845 1.00 54.43 C ATOM 326 O ALA A 22 9.183 -17.324 19.870 1.00 1.23 O ATOM 327 CB ALA A 22 10.197 -16.768 16.769 1.00 62.03 C ATOM 0 H ALA A 22 7.940 -16.759 15.773 1.00 31.44 H new ATOM 0 HA ALA A 22 9.212 -18.474 17.619 1.00 34.23 H new ATOM 0 HB1 ALA A 22 11.078 -16.855 17.404 1.00 62.03 H new ATOM 0 HB2 ALA A 22 10.383 -17.272 15.820 1.00 62.03 H new ATOM 0 HB3 ALA A 22 9.984 -15.715 16.585 1.00 62.03 H new ATOM 333 N PHE A 23 8.110 -15.618 18.857 1.00 3.23 N ATOM 334 CA PHE A 23 7.772 -14.924 20.106 1.00 55.54 C ATOM 335 C PHE A 23 6.842 -15.781 20.981 1.00 40.24 C ATOM 336 O PHE A 23 7.114 -16.005 22.164 1.00 23.53 O ATOM 337 CB PHE A 23 7.111 -13.573 19.798 1.00 42.33 C ATOM 338 CG PHE A 23 6.794 -12.749 21.025 1.00 73.01 C ATOM 339 CD1 PHE A 23 7.775 -11.970 21.626 1.00 11.23 C ATOM 340 CD2 PHE A 23 5.517 -12.748 21.574 1.00 63.03 C ATOM 341 CE1 PHE A 23 7.489 -11.211 22.746 1.00 1.34 C ATOM 342 CE2 PHE A 23 5.227 -11.991 22.695 1.00 74.50 C ATOM 343 CZ PHE A 23 6.214 -11.221 23.282 1.00 75.24 C ATOM 0 H PHE A 23 7.796 -15.137 18.014 1.00 3.23 H new ATOM 0 HA PHE A 23 8.695 -14.752 20.659 1.00 55.54 H new ATOM 0 HB2 PHE A 23 7.770 -12.998 19.147 1.00 42.33 H new ATOM 0 HB3 PHE A 23 6.189 -13.749 19.243 1.00 42.33 H new ATOM 0 HD1 PHE A 23 8.773 -11.957 21.213 1.00 11.23 H new ATOM 0 HD2 PHE A 23 4.741 -13.346 21.119 1.00 63.03 H new ATOM 0 HE1 PHE A 23 8.262 -10.610 23.202 1.00 1.34 H new ATOM 0 HE2 PHE A 23 4.230 -12.001 23.111 1.00 74.50 H new ATOM 0 HZ PHE A 23 5.990 -10.629 24.157 1.00 75.24 H new ATOM 353 N MET A 24 5.741 -16.256 20.393 1.00 14.45 N ATOM 354 CA MET A 24 4.806 -17.140 21.097 1.00 12.12 C ATOM 355 C MET A 24 5.490 -18.405 21.650 1.00 53.51 C ATOM 356 O MET A 24 5.007 -19.002 22.611 1.00 53.15 O ATOM 357 CB MET A 24 3.619 -17.506 20.195 1.00 1.24 C ATOM 358 CG MET A 24 2.637 -16.355 20.009 1.00 54.24 C ATOM 359 SD MET A 24 1.196 -16.803 19.019 1.00 24.05 S ATOM 360 CE MET A 24 1.928 -16.956 17.394 1.00 72.22 C ATOM 0 H MET A 24 5.474 -16.044 19.432 1.00 14.45 H new ATOM 0 HA MET A 24 4.432 -16.585 21.957 1.00 12.12 H new ATOM 0 HB2 MET A 24 3.993 -17.819 19.220 1.00 1.24 H new ATOM 0 HB3 MET A 24 3.093 -18.359 20.623 1.00 1.24 H new ATOM 0 HG2 MET A 24 2.304 -16.008 20.987 1.00 54.24 H new ATOM 0 HG3 MET A 24 3.152 -15.520 19.533 1.00 54.24 H new ATOM 0 HE1 MET A 24 1.139 -17.018 16.644 1.00 72.22 H new ATOM 0 HE2 MET A 24 2.553 -16.086 17.193 1.00 72.22 H new ATOM 0 HE3 MET A 24 2.539 -17.858 17.353 1.00 72.22 H new ATOM 370 N LYS A 25 6.613 -18.812 21.057 1.00 50.21 N ATOM 371 CA LYS A 25 7.427 -19.884 21.643 1.00 4.20 C ATOM 372 C LYS A 25 8.133 -19.403 22.923 1.00 35.04 C ATOM 373 O LYS A 25 8.087 -20.074 23.954 1.00 52.52 O ATOM 374 CB LYS A 25 8.469 -20.418 20.647 1.00 75.03 C ATOM 375 CG LYS A 25 9.530 -21.296 21.316 1.00 73.35 C ATOM 376 CD LYS A 25 10.454 -21.979 20.315 1.00 51.30 C ATOM 377 CE LYS A 25 11.634 -22.652 21.014 1.00 20.24 C ATOM 378 NZ LYS A 25 11.202 -23.595 22.081 1.00 62.10 N ATOM 0 H LYS A 25 6.977 -18.425 20.186 1.00 50.21 H new ATOM 0 HA LYS A 25 6.746 -20.697 21.895 1.00 4.20 H new ATOM 0 HB2 LYS A 25 7.963 -20.994 19.872 1.00 75.03 H new ATOM 0 HB3 LYS A 25 8.957 -19.578 20.153 1.00 75.03 H new ATOM 0 HG2 LYS A 25 10.126 -20.684 21.993 1.00 73.35 H new ATOM 0 HG3 LYS A 25 9.036 -22.055 21.923 1.00 73.35 H new ATOM 0 HD2 LYS A 25 9.893 -22.722 19.748 1.00 51.30 H new ATOM 0 HD3 LYS A 25 10.824 -21.245 19.599 1.00 51.30 H new ATOM 0 HE2 LYS A 25 12.230 -23.191 20.277 1.00 20.24 H new ATOM 0 HE3 LYS A 25 12.279 -21.888 21.448 1.00 20.24 H new ATOM 0 HZ1 LYS A 25 11.780 -24.459 22.036 1.00 62.10 H new ATOM 0 HZ2 LYS A 25 11.323 -23.146 23.011 1.00 62.10 H new ATOM 0 HZ3 LYS A 25 10.201 -23.841 21.943 1.00 62.10 H new ATOM 392 N VAL A 26 8.780 -18.237 22.849 1.00 52.03 N ATOM 393 CA VAL A 26 9.497 -17.664 23.999 1.00 23.41 C ATOM 394 C VAL A 26 8.579 -17.542 25.226 1.00 53.15 C ATOM 395 O VAL A 26 8.876 -18.078 26.296 1.00 3.44 O ATOM 396 CB VAL A 26 10.085 -16.269 23.657 1.00 2.54 C ATOM 397 CG1 VAL A 26 10.801 -15.669 24.867 1.00 55.02 C ATOM 398 CG2 VAL A 26 11.027 -16.359 22.456 1.00 72.02 C ATOM 0 H VAL A 26 8.824 -17.667 22.004 1.00 52.03 H new ATOM 0 HA VAL A 26 10.314 -18.346 24.235 1.00 23.41 H new ATOM 0 HB VAL A 26 9.260 -15.608 23.392 1.00 2.54 H new ATOM 0 HG11 VAL A 26 11.205 -14.692 24.603 1.00 55.02 H new ATOM 0 HG12 VAL A 26 10.095 -15.560 25.690 1.00 55.02 H new ATOM 0 HG13 VAL A 26 11.615 -16.327 25.172 1.00 55.02 H new ATOM 0 HG21 VAL A 26 11.428 -15.370 22.233 1.00 72.02 H new ATOM 0 HG22 VAL A 26 11.847 -17.039 22.687 1.00 72.02 H new ATOM 0 HG23 VAL A 26 10.479 -16.732 21.591 1.00 72.02 H new ATOM 408 N MET A 27 7.456 -16.852 25.051 1.00 54.55 N ATOM 409 CA MET A 27 6.467 -16.690 26.123 1.00 14.10 C ATOM 410 C MET A 27 5.947 -18.058 26.616 1.00 74.34 C ATOM 411 O MET A 27 5.716 -18.252 27.807 1.00 45.40 O ATOM 412 CB MET A 27 5.309 -15.808 25.625 1.00 64.00 C ATOM 413 CG MET A 27 4.542 -16.407 24.453 1.00 22.22 C ATOM 414 SD MET A 27 3.708 -15.171 23.433 1.00 43.30 S ATOM 415 CE MET A 27 2.573 -14.443 24.605 1.00 32.22 C ATOM 0 H MET A 27 7.204 -16.393 24.176 1.00 54.55 H new ATOM 0 HA MET A 27 6.947 -16.202 26.971 1.00 14.10 H new ATOM 0 HB2 MET A 27 4.617 -15.633 26.449 1.00 64.00 H new ATOM 0 HB3 MET A 27 5.705 -14.836 25.330 1.00 64.00 H new ATOM 0 HG2 MET A 27 5.232 -16.976 23.830 1.00 22.22 H new ATOM 0 HG3 MET A 27 3.803 -17.111 24.834 1.00 22.22 H new ATOM 0 HE1 MET A 27 1.851 -13.821 24.075 1.00 32.22 H new ATOM 0 HE2 MET A 27 2.047 -15.233 25.141 1.00 32.22 H new ATOM 0 HE3 MET A 27 3.127 -13.830 25.315 1.00 32.22 H new ATOM 425 N LEU A 28 5.798 -19.011 25.694 1.00 21.11 N ATOM 426 CA LEU A 28 5.337 -20.364 26.038 1.00 1.31 C ATOM 427 C LEU A 28 6.383 -21.126 26.871 1.00 35.23 C ATOM 428 O LEU A 28 6.041 -21.842 27.811 1.00 35.32 O ATOM 429 CB LEU A 28 5.020 -21.154 24.759 1.00 63.33 C ATOM 430 CG LEU A 28 4.492 -22.584 24.973 1.00 12.53 C ATOM 431 CD1 LEU A 28 3.179 -22.572 25.757 1.00 41.13 C ATOM 432 CD2 LEU A 28 4.316 -23.295 23.631 1.00 64.31 C ATOM 0 H LEU A 28 5.989 -18.874 24.702 1.00 21.11 H new ATOM 0 HA LEU A 28 4.434 -20.262 26.640 1.00 1.31 H new ATOM 0 HB2 LEU A 28 4.282 -20.596 24.183 1.00 63.33 H new ATOM 0 HB3 LEU A 28 5.924 -21.207 24.153 1.00 63.33 H new ATOM 0 HG LEU A 28 5.227 -23.134 25.561 1.00 12.53 H new ATOM 0 HD11 LEU A 28 2.828 -23.595 25.894 1.00 41.13 H new ATOM 0 HD12 LEU A 28 3.341 -22.110 26.731 1.00 41.13 H new ATOM 0 HD13 LEU A 28 2.431 -22.003 25.205 1.00 41.13 H new ATOM 0 HD21 LEU A 28 3.942 -24.305 23.800 1.00 64.31 H new ATOM 0 HD22 LEU A 28 3.604 -22.743 23.017 1.00 64.31 H new ATOM 0 HD23 LEU A 28 5.276 -23.345 23.117 1.00 64.31 H new ATOM 444 N ASN A 29 7.658 -20.964 26.515 1.00 42.21 N ATOM 445 CA ASN A 29 8.758 -21.644 27.214 1.00 52.11 C ATOM 446 C ASN A 29 9.093 -20.931 28.537 1.00 35.11 C ATOM 447 O ASN A 29 9.768 -21.486 29.408 1.00 34.41 O ATOM 448 CB ASN A 29 10.004 -21.724 26.310 1.00 21.24 C ATOM 449 CG ASN A 29 9.811 -22.631 25.094 1.00 35.02 C ATOM 450 OD1 ASN A 29 10.744 -23.277 24.636 1.00 42.53 O ATOM 451 ND2 ASN A 29 8.615 -22.671 24.535 1.00 20.03 N ATOM 0 H ASN A 29 7.959 -20.367 25.745 1.00 42.21 H new ATOM 0 HA ASN A 29 8.436 -22.658 27.449 1.00 52.11 H new ATOM 0 HB2 ASN A 29 10.262 -20.721 25.969 1.00 21.24 H new ATOM 0 HB3 ASN A 29 10.847 -22.089 26.897 1.00 21.24 H new ATOM 0 HD21 ASN A 29 8.458 -23.247 23.708 1.00 20.03 H new ATOM 0 HD22 ASN A 29 7.849 -22.126 24.930 1.00 20.03 H new ATOM 458 N ARG A 30 8.619 -19.693 28.670 1.00 23.43 N ATOM 459 CA ARG A 30 8.742 -18.929 29.917 1.00 33.34 C ATOM 460 C ARG A 30 7.906 -19.561 31.050 1.00 54.31 C ATOM 461 O ARG A 30 8.327 -19.591 32.211 1.00 12.23 O ATOM 462 CB ARG A 30 8.299 -17.472 29.674 1.00 52.35 C ATOM 463 CG ARG A 30 8.093 -16.648 30.946 1.00 63.25 C ATOM 464 CD ARG A 30 9.380 -16.483 31.751 1.00 2.21 C ATOM 465 NE ARG A 30 9.123 -15.893 33.066 1.00 52.02 N ATOM 466 CZ ARG A 30 10.043 -15.408 33.854 1.00 62.53 C ATOM 467 NH1 ARG A 30 11.285 -15.396 33.498 1.00 11.33 N ATOM 468 NH2 ARG A 30 9.712 -14.934 35.008 1.00 24.10 N ATOM 0 H ARG A 30 8.141 -19.191 27.922 1.00 23.43 H new ATOM 0 HA ARG A 30 9.786 -18.946 30.229 1.00 33.34 H new ATOM 0 HB2 ARG A 30 9.047 -16.978 29.054 1.00 52.35 H new ATOM 0 HB3 ARG A 30 7.368 -17.479 29.107 1.00 52.35 H new ATOM 0 HG2 ARG A 30 7.707 -15.664 30.679 1.00 63.25 H new ATOM 0 HG3 ARG A 30 7.338 -17.129 31.568 1.00 63.25 H new ATOM 0 HD2 ARG A 30 9.859 -17.454 31.875 1.00 2.21 H new ATOM 0 HD3 ARG A 30 10.077 -15.852 31.199 1.00 2.21 H new ATOM 0 HE ARG A 30 8.156 -15.859 33.389 1.00 52.02 H new ATOM 0 HH11 ARG A 30 11.559 -15.769 32.589 1.00 11.33 H new ATOM 0 HH12 ARG A 30 11.992 -15.013 34.126 1.00 11.33 H new ATOM 0 HH21 ARG A 30 8.735 -14.940 35.300 1.00 24.10 H new ATOM 0 HH22 ARG A 30 10.428 -14.554 35.628 1.00 24.10 H new ATOM 482 N TYR A 31 6.721 -20.062 30.713 1.00 15.23 N ATOM 483 CA TYR A 31 5.828 -20.671 31.710 1.00 31.54 C ATOM 484 C TYR A 31 6.022 -22.190 31.796 1.00 4.33 C ATOM 485 O TYR A 31 6.586 -22.816 30.895 1.00 25.20 O ATOM 486 CB TYR A 31 4.363 -20.366 31.378 1.00 72.10 C ATOM 487 CG TYR A 31 4.028 -18.886 31.334 1.00 44.30 C ATOM 488 CD1 TYR A 31 3.766 -18.172 32.499 1.00 14.14 C ATOM 489 CD2 TYR A 31 3.966 -18.204 30.124 1.00 34.33 C ATOM 490 CE1 TYR A 31 3.452 -16.827 32.456 1.00 54.24 C ATOM 491 CE2 TYR A 31 3.656 -16.861 30.074 1.00 13.30 C ATOM 492 CZ TYR A 31 3.400 -16.177 31.241 1.00 21.43 C ATOM 493 OH TYR A 31 3.088 -14.838 31.191 1.00 13.25 O ATOM 0 H TYR A 31 6.352 -20.061 29.762 1.00 15.23 H new ATOM 0 HA TYR A 31 6.084 -20.236 32.676 1.00 31.54 H new ATOM 0 HB2 TYR A 31 4.121 -20.810 30.412 1.00 72.10 H new ATOM 0 HB3 TYR A 31 3.726 -20.849 32.119 1.00 72.10 H new ATOM 0 HD1 TYR A 31 3.809 -18.677 33.453 1.00 14.14 H new ATOM 0 HD2 TYR A 31 4.164 -18.736 29.205 1.00 34.33 H new ATOM 0 HE1 TYR A 31 3.248 -16.288 33.369 1.00 54.24 H new ATOM 0 HE2 TYR A 31 3.614 -16.349 29.124 1.00 13.30 H new ATOM 0 HH TYR A 31 3.884 -14.326 30.936 1.00 13.25 H new ATOM 503 N ARG A 32 5.558 -22.773 32.897 1.00 33.15 N ATOM 504 CA ARG A 32 5.557 -24.228 33.071 1.00 52.53 C ATOM 505 C ARG A 32 4.141 -24.778 32.776 1.00 10.53 C ATOM 506 O ARG A 32 3.174 -24.013 32.761 1.00 43.54 O ATOM 507 CB ARG A 32 5.999 -24.600 34.504 1.00 10.10 C ATOM 508 CG ARG A 32 7.452 -24.252 34.862 1.00 13.24 C ATOM 509 CD ARG A 32 7.710 -22.744 34.890 1.00 42.45 C ATOM 510 NE ARG A 32 8.951 -22.409 35.588 1.00 71.32 N ATOM 511 CZ ARG A 32 9.776 -21.458 35.230 1.00 42.34 C ATOM 512 NH1 ARG A 32 9.595 -20.792 34.135 1.00 5.21 N ATOM 513 NH2 ARG A 32 10.799 -21.183 35.967 1.00 3.11 N ATOM 0 H ARG A 32 5.174 -22.258 33.690 1.00 33.15 H new ATOM 0 HA ARG A 32 6.266 -24.675 32.374 1.00 52.53 H new ATOM 0 HB2 ARG A 32 5.339 -24.097 35.211 1.00 10.10 H new ATOM 0 HB3 ARG A 32 5.856 -25.672 34.642 1.00 10.10 H new ATOM 0 HG2 ARG A 32 7.693 -24.675 35.837 1.00 13.24 H new ATOM 0 HG3 ARG A 32 8.121 -24.717 34.138 1.00 13.24 H new ATOM 0 HD2 ARG A 32 7.756 -22.366 33.869 1.00 42.45 H new ATOM 0 HD3 ARG A 32 6.874 -22.243 35.378 1.00 42.45 H new ATOM 0 HE ARG A 32 9.191 -22.957 36.414 1.00 71.32 H new ATOM 0 HH11 ARG A 32 8.799 -21.005 33.534 1.00 5.21 H new ATOM 0 HH12 ARG A 32 10.249 -20.054 33.873 1.00 5.21 H new ATOM 0 HH21 ARG A 32 10.964 -21.706 36.827 1.00 3.11 H new ATOM 0 HH22 ARG A 32 11.443 -20.442 35.690 1.00 3.11 H new ATOM 527 N PRO A 33 3.984 -26.104 32.547 1.00 24.51 N ATOM 528 CA PRO A 33 2.673 -26.705 32.185 1.00 31.11 C ATOM 529 C PRO A 33 1.588 -26.614 33.286 1.00 55.52 C ATOM 530 O PRO A 33 0.616 -27.375 33.269 1.00 32.23 O ATOM 531 CB PRO A 33 3.031 -28.175 31.901 1.00 52.31 C ATOM 532 CG PRO A 33 4.291 -28.414 32.661 1.00 70.32 C ATOM 533 CD PRO A 33 5.054 -27.121 32.597 1.00 63.41 C ATOM 0 HA PRO A 33 2.224 -26.170 31.348 1.00 31.11 H new ATOM 0 HB2 PRO A 33 2.237 -28.846 32.230 1.00 52.31 H new ATOM 0 HB3 PRO A 33 3.173 -28.348 30.834 1.00 52.31 H new ATOM 0 HG2 PRO A 33 4.079 -28.693 33.693 1.00 70.32 H new ATOM 0 HG3 PRO A 33 4.865 -29.230 32.222 1.00 70.32 H new ATOM 0 HD2 PRO A 33 5.696 -26.988 33.468 1.00 63.41 H new ATOM 0 HD3 PRO A 33 5.696 -27.075 31.717 1.00 63.41 H new ATOM 541 N GLY A 34 1.745 -25.690 34.232 1.00 33.34 N ATOM 542 CA GLY A 34 0.724 -25.469 35.253 1.00 35.00 C ATOM 543 C GLY A 34 0.540 -23.998 35.617 1.00 34.40 C ATOM 544 O GLY A 34 -0.151 -23.675 36.586 1.00 33.53 O ATOM 0 H GLY A 34 2.563 -25.086 34.313 1.00 33.34 H new ATOM 0 HA2 GLY A 34 -0.226 -25.870 34.899 1.00 35.00 H new ATOM 0 HA3 GLY A 34 0.991 -26.027 36.150 1.00 35.00 H new ATOM 548 N ASP A 35 1.145 -23.098 34.841 1.00 62.04 N ATOM 549 CA ASP A 35 1.056 -21.655 35.119 1.00 64.11 C ATOM 550 C ASP A 35 -0.044 -20.964 34.295 1.00 50.11 C ATOM 551 O ASP A 35 -0.516 -21.486 33.282 1.00 52.11 O ATOM 552 CB ASP A 35 2.399 -20.967 34.844 1.00 62.01 C ATOM 553 CG ASP A 35 3.465 -21.334 35.859 1.00 70.12 C ATOM 554 OD1 ASP A 35 3.527 -20.688 36.930 1.00 1.33 O ATOM 555 OD2 ASP A 35 4.252 -22.261 35.592 1.00 43.40 O ATOM 0 H ASP A 35 1.700 -23.336 34.019 1.00 62.04 H new ATOM 0 HA ASP A 35 0.798 -21.559 36.174 1.00 64.11 H new ATOM 0 HB2 ASP A 35 2.744 -21.239 33.847 1.00 62.01 H new ATOM 0 HB3 ASP A 35 2.256 -19.886 34.848 1.00 62.01 H new ATOM 560 N ILE A 36 -0.439 -19.773 34.744 1.00 75.54 N ATOM 561 CA ILE A 36 -1.409 -18.943 34.024 1.00 20.31 C ATOM 562 C ILE A 36 -0.695 -17.781 33.315 1.00 12.42 C ATOM 563 O ILE A 36 0.140 -17.094 33.911 1.00 13.20 O ATOM 564 CB ILE A 36 -2.494 -18.377 34.985 1.00 63.35 C ATOM 565 CG1 ILE A 36 -3.255 -19.522 35.680 1.00 50.33 C ATOM 566 CG2 ILE A 36 -3.465 -17.462 34.235 1.00 32.11 C ATOM 567 CD1 ILE A 36 -3.994 -20.441 34.727 1.00 72.15 C ATOM 0 H ILE A 36 -0.099 -19.357 35.611 1.00 75.54 H new ATOM 0 HA ILE A 36 -1.899 -19.575 33.284 1.00 20.31 H new ATOM 0 HB ILE A 36 -1.992 -17.784 35.749 1.00 63.35 H new ATOM 0 HG12 ILE A 36 -2.548 -20.113 36.263 1.00 50.33 H new ATOM 0 HG13 ILE A 36 -3.970 -19.095 36.383 1.00 50.33 H new ATOM 0 HG21 ILE A 36 -4.214 -17.079 34.929 1.00 32.11 H new ATOM 0 HG22 ILE A 36 -2.915 -16.628 33.798 1.00 32.11 H new ATOM 0 HG23 ILE A 36 -3.959 -18.026 33.443 1.00 32.11 H new ATOM 0 HD11 ILE A 36 -4.504 -21.220 35.294 1.00 72.15 H new ATOM 0 HD12 ILE A 36 -4.727 -19.866 34.162 1.00 72.15 H new ATOM 0 HD13 ILE A 36 -3.283 -20.899 34.039 1.00 72.15 H new ATOM 579 N VAL A 37 -1.017 -17.571 32.041 1.00 20.03 N ATOM 580 CA VAL A 37 -0.397 -16.501 31.257 1.00 71.13 C ATOM 581 C VAL A 37 -0.672 -15.125 31.884 1.00 54.43 C ATOM 582 O VAL A 37 -1.827 -14.728 32.057 1.00 74.43 O ATOM 583 CB VAL A 37 -0.896 -16.512 29.791 1.00 21.51 C ATOM 584 CG1 VAL A 37 -0.217 -15.415 28.978 1.00 32.32 C ATOM 585 CG2 VAL A 37 -0.664 -17.881 29.152 1.00 53.24 C ATOM 0 H VAL A 37 -1.702 -18.126 31.528 1.00 20.03 H new ATOM 0 HA VAL A 37 0.678 -16.684 31.261 1.00 71.13 H new ATOM 0 HB VAL A 37 -1.968 -16.315 29.796 1.00 21.51 H new ATOM 0 HG11 VAL A 37 -0.584 -15.443 27.952 1.00 32.32 H new ATOM 0 HG12 VAL A 37 -0.443 -14.444 29.418 1.00 32.32 H new ATOM 0 HG13 VAL A 37 0.861 -15.573 28.982 1.00 32.32 H new ATOM 0 HG21 VAL A 37 -1.022 -17.867 28.122 1.00 53.24 H new ATOM 0 HG22 VAL A 37 0.401 -18.112 29.163 1.00 53.24 H new ATOM 0 HG23 VAL A 37 -1.206 -18.641 29.714 1.00 53.24 H new ATOM 595 N SER A 38 0.400 -14.411 32.229 1.00 23.23 N ATOM 596 CA SER A 38 0.294 -13.096 32.876 1.00 2.04 C ATOM 597 C SER A 38 -0.417 -12.062 31.987 1.00 14.33 C ATOM 598 O SER A 38 -0.701 -12.315 30.817 1.00 62.15 O ATOM 599 CB SER A 38 1.686 -12.578 33.260 1.00 13.44 C ATOM 600 OG SER A 38 2.332 -13.456 34.171 1.00 65.42 O ATOM 0 H SER A 38 1.359 -14.721 32.071 1.00 23.23 H new ATOM 0 HA SER A 38 -0.310 -13.230 33.773 1.00 2.04 H new ATOM 0 HB2 SER A 38 2.296 -12.469 32.363 1.00 13.44 H new ATOM 0 HB3 SER A 38 1.597 -11.588 33.707 1.00 13.44 H new ATOM 0 HG SER A 38 3.217 -13.101 34.396 1.00 65.42 H new ATOM 606 N THR A 39 -0.676 -10.886 32.555 1.00 62.25 N ATOM 607 CA THR A 39 -1.471 -9.838 31.895 1.00 1.11 C ATOM 608 C THR A 39 -0.914 -9.431 30.517 1.00 23.21 C ATOM 609 O THR A 39 -1.629 -9.479 29.516 1.00 33.14 O ATOM 610 CB THR A 39 -1.569 -8.576 32.785 1.00 50.12 C ATOM 611 OG1 THR A 39 -1.996 -8.943 34.108 1.00 33.53 O ATOM 612 CG2 THR A 39 -2.543 -7.560 32.196 1.00 22.31 C ATOM 0 H THR A 39 -0.344 -10.627 33.484 1.00 62.25 H new ATOM 0 HA THR A 39 -2.459 -10.271 31.742 1.00 1.11 H new ATOM 0 HB THR A 39 -0.581 -8.117 32.832 1.00 50.12 H new ATOM 0 HG1 THR A 39 -2.055 -8.140 34.667 1.00 33.53 H new ATOM 0 HG21 THR A 39 -2.591 -6.684 32.843 1.00 22.31 H new ATOM 0 HG22 THR A 39 -2.202 -7.261 31.205 1.00 22.31 H new ATOM 0 HG23 THR A 39 -3.534 -8.008 32.118 1.00 22.31 H new ATOM 620 N VAL A 40 0.356 -9.025 30.473 1.00 44.33 N ATOM 621 CA VAL A 40 0.988 -8.579 29.219 1.00 40.33 C ATOM 622 C VAL A 40 0.939 -9.671 28.136 1.00 33.33 C ATOM 623 O VAL A 40 0.362 -9.475 27.061 1.00 32.41 O ATOM 624 CB VAL A 40 2.463 -8.160 29.449 1.00 34.44 C ATOM 625 CG1 VAL A 40 3.118 -7.709 28.141 1.00 71.42 C ATOM 626 CG2 VAL A 40 2.550 -7.061 30.504 1.00 34.11 C ATOM 0 H VAL A 40 0.970 -8.994 31.287 1.00 44.33 H new ATOM 0 HA VAL A 40 0.418 -7.716 28.875 1.00 40.33 H new ATOM 0 HB VAL A 40 3.008 -9.031 29.813 1.00 34.44 H new ATOM 0 HG11 VAL A 40 4.152 -7.421 28.332 1.00 71.42 H new ATOM 0 HG12 VAL A 40 3.097 -8.528 27.422 1.00 71.42 H new ATOM 0 HG13 VAL A 40 2.573 -6.856 27.736 1.00 71.42 H new ATOM 0 HG21 VAL A 40 3.593 -6.780 30.652 1.00 34.11 H new ATOM 0 HG22 VAL A 40 1.984 -6.191 30.171 1.00 34.11 H new ATOM 0 HG23 VAL A 40 2.136 -7.425 31.444 1.00 34.11 H new ATOM 636 N ASP A 41 1.550 -10.818 28.430 1.00 1.22 N ATOM 637 CA ASP A 41 1.555 -11.966 27.517 1.00 53.01 C ATOM 638 C ASP A 41 0.123 -12.374 27.118 1.00 14.44 C ATOM 639 O ASP A 41 -0.132 -12.761 25.973 1.00 2.10 O ATOM 640 CB ASP A 41 2.279 -13.144 28.184 1.00 51.20 C ATOM 641 CG ASP A 41 3.702 -12.796 28.590 1.00 45.35 C ATOM 642 OD1 ASP A 41 3.878 -11.897 29.442 1.00 23.43 O ATOM 643 OD2 ASP A 41 4.648 -13.429 28.086 1.00 53.12 O ATOM 0 H ASP A 41 2.054 -10.980 29.302 1.00 1.22 H new ATOM 0 HA ASP A 41 2.081 -11.681 26.606 1.00 53.01 H new ATOM 0 HB2 ASP A 41 1.720 -13.459 29.065 1.00 51.20 H new ATOM 0 HB3 ASP A 41 2.297 -13.991 27.498 1.00 51.20 H new ATOM 648 N GLY A 42 -0.809 -12.277 28.069 1.00 65.12 N ATOM 649 CA GLY A 42 -2.211 -12.564 27.789 1.00 33.13 C ATOM 650 C GLY A 42 -2.822 -11.594 26.782 1.00 71.11 C ATOM 651 O GLY A 42 -3.492 -12.014 25.840 1.00 60.32 O ATOM 0 H GLY A 42 -0.617 -12.003 29.033 1.00 65.12 H new ATOM 0 HA2 GLY A 42 -2.300 -13.581 27.407 1.00 33.13 H new ATOM 0 HA3 GLY A 42 -2.779 -12.522 28.718 1.00 33.13 H new ATOM 655 N ALA A 43 -2.578 -10.296 26.975 1.00 63.55 N ATOM 656 CA ALA A 43 -3.057 -9.261 26.048 1.00 4.20 C ATOM 657 C ALA A 43 -2.619 -9.559 24.608 1.00 50.22 C ATOM 658 O ALA A 43 -3.374 -9.343 23.653 1.00 12.41 O ATOM 659 CB ALA A 43 -2.545 -7.893 26.481 1.00 4.41 C ATOM 0 H ALA A 43 -2.049 -9.933 27.768 1.00 63.55 H new ATOM 0 HA ALA A 43 -4.147 -9.260 26.075 1.00 4.20 H new ATOM 0 HB1 ALA A 43 -2.906 -7.133 25.787 1.00 4.41 H new ATOM 0 HB2 ALA A 43 -2.908 -7.670 27.484 1.00 4.41 H new ATOM 0 HB3 ALA A 43 -1.455 -7.896 26.481 1.00 4.41 H new ATOM 665 N PHE A 44 -1.392 -10.058 24.470 1.00 23.02 N ATOM 666 CA PHE A 44 -0.859 -10.483 23.173 1.00 72.23 C ATOM 667 C PHE A 44 -1.688 -11.643 22.595 1.00 4.14 C ATOM 668 O PHE A 44 -2.134 -11.594 21.447 1.00 42.13 O ATOM 669 CB PHE A 44 0.610 -10.905 23.332 1.00 32.33 C ATOM 670 CG PHE A 44 1.305 -11.231 22.032 1.00 23.54 C ATOM 671 CD1 PHE A 44 1.275 -12.519 21.510 1.00 23.00 C ATOM 672 CD2 PHE A 44 1.987 -10.246 21.334 1.00 2.02 C ATOM 673 CE1 PHE A 44 1.911 -12.813 20.319 1.00 65.11 C ATOM 674 CE2 PHE A 44 2.625 -10.536 20.144 1.00 72.12 C ATOM 675 CZ PHE A 44 2.586 -11.822 19.635 1.00 25.53 C ATOM 0 H PHE A 44 -0.742 -10.179 25.247 1.00 23.02 H new ATOM 0 HA PHE A 44 -0.920 -9.646 22.478 1.00 72.23 H new ATOM 0 HB2 PHE A 44 1.155 -10.103 23.831 1.00 32.33 H new ATOM 0 HB3 PHE A 44 0.657 -11.777 23.985 1.00 32.33 H new ATOM 0 HD1 PHE A 44 0.749 -13.298 22.041 1.00 23.00 H new ATOM 0 HD2 PHE A 44 2.020 -9.240 21.726 1.00 2.02 H new ATOM 0 HE1 PHE A 44 1.880 -13.818 19.924 1.00 65.11 H new ATOM 0 HE2 PHE A 44 3.154 -9.760 19.611 1.00 72.12 H new ATOM 0 HZ PHE A 44 3.083 -12.050 18.704 1.00 25.53 H new ATOM 685 N LEU A 45 -1.894 -12.680 23.409 1.00 32.14 N ATOM 686 CA LEU A 45 -2.686 -13.849 23.004 1.00 75.13 C ATOM 687 C LEU A 45 -4.127 -13.466 22.628 1.00 53.44 C ATOM 688 O LEU A 45 -4.726 -14.076 21.740 1.00 21.43 O ATOM 689 CB LEU A 45 -2.695 -14.891 24.128 1.00 23.32 C ATOM 690 CG LEU A 45 -1.335 -15.548 24.423 1.00 55.33 C ATOM 691 CD1 LEU A 45 -1.428 -16.458 25.642 1.00 12.31 C ATOM 692 CD2 LEU A 45 -0.841 -16.327 23.205 1.00 13.20 C ATOM 0 H LEU A 45 -1.523 -12.736 24.357 1.00 32.14 H new ATOM 0 HA LEU A 45 -2.217 -14.273 22.116 1.00 75.13 H new ATOM 0 HB2 LEU A 45 -3.056 -14.415 25.040 1.00 23.32 H new ATOM 0 HB3 LEU A 45 -3.410 -15.673 23.871 1.00 23.32 H new ATOM 0 HG LEU A 45 -0.615 -14.760 24.642 1.00 55.33 H new ATOM 0 HD11 LEU A 45 -0.455 -16.912 25.832 1.00 12.31 H new ATOM 0 HD12 LEU A 45 -1.732 -15.873 26.510 1.00 12.31 H new ATOM 0 HD13 LEU A 45 -2.164 -17.241 25.456 1.00 12.31 H new ATOM 0 HD21 LEU A 45 0.122 -16.785 23.432 1.00 13.20 H new ATOM 0 HD22 LEU A 45 -1.562 -17.105 22.953 1.00 13.20 H new ATOM 0 HD23 LEU A 45 -0.730 -15.648 22.360 1.00 13.20 H new ATOM 704 N VAL A 46 -4.684 -12.461 23.307 1.00 61.32 N ATOM 705 CA VAL A 46 -6.023 -11.961 22.974 1.00 55.03 C ATOM 706 C VAL A 46 -6.086 -11.492 21.512 1.00 65.01 C ATOM 707 O VAL A 46 -6.959 -11.912 20.751 1.00 15.12 O ATOM 708 CB VAL A 46 -6.458 -10.795 23.900 1.00 4.02 C ATOM 709 CG1 VAL A 46 -7.834 -10.264 23.496 1.00 54.03 C ATOM 710 CG2 VAL A 46 -6.466 -11.233 25.365 1.00 15.51 C ATOM 0 H VAL A 46 -4.234 -11.979 24.085 1.00 61.32 H new ATOM 0 HA VAL A 46 -6.710 -12.794 23.122 1.00 55.03 H new ATOM 0 HB VAL A 46 -5.731 -9.991 23.787 1.00 4.02 H new ATOM 0 HG11 VAL A 46 -8.118 -9.447 24.159 1.00 54.03 H new ATOM 0 HG12 VAL A 46 -7.797 -9.901 22.469 1.00 54.03 H new ATOM 0 HG13 VAL A 46 -8.570 -11.065 23.571 1.00 54.03 H new ATOM 0 HG21 VAL A 46 -6.774 -10.397 25.993 1.00 15.51 H new ATOM 0 HG22 VAL A 46 -7.164 -12.060 25.494 1.00 15.51 H new ATOM 0 HG23 VAL A 46 -5.465 -11.554 25.654 1.00 15.51 H new ATOM 720 N GLU A 47 -5.148 -10.628 21.118 1.00 12.04 N ATOM 721 CA GLU A 47 -5.089 -10.129 19.739 1.00 20.42 C ATOM 722 C GLU A 47 -4.745 -11.262 18.759 1.00 72.40 C ATOM 723 O GLU A 47 -5.284 -11.326 17.650 1.00 72.34 O ATOM 724 CB GLU A 47 -4.060 -8.994 19.618 1.00 14.42 C ATOM 725 CG GLU A 47 -4.312 -7.816 20.560 1.00 74.22 C ATOM 726 CD GLU A 47 -5.711 -7.226 20.430 1.00 61.13 C ATOM 727 OE1 GLU A 47 -6.069 -6.744 19.336 1.00 4.24 O ATOM 728 OE2 GLU A 47 -6.464 -7.238 21.428 1.00 72.42 O ATOM 0 H GLU A 47 -4.420 -10.259 21.731 1.00 12.04 H new ATOM 0 HA GLU A 47 -6.073 -9.738 19.481 1.00 20.42 H new ATOM 0 HB2 GLU A 47 -3.067 -9.397 19.816 1.00 14.42 H new ATOM 0 HB3 GLU A 47 -4.057 -8.629 18.591 1.00 14.42 H new ATOM 0 HG2 GLU A 47 -4.158 -8.143 21.588 1.00 74.22 H new ATOM 0 HG3 GLU A 47 -3.577 -7.037 20.360 1.00 74.22 H new ATOM 735 N ALA A 48 -3.850 -12.159 19.179 1.00 70.13 N ATOM 736 CA ALA A 48 -3.504 -13.341 18.381 1.00 14.31 C ATOM 737 C ALA A 48 -4.753 -14.185 18.082 1.00 54.12 C ATOM 738 O ALA A 48 -4.923 -14.708 16.977 1.00 60.42 O ATOM 739 CB ALA A 48 -2.449 -14.178 19.100 1.00 42.44 C ATOM 0 H ALA A 48 -3.351 -12.091 20.066 1.00 70.13 H new ATOM 0 HA ALA A 48 -3.090 -13.003 17.431 1.00 14.31 H new ATOM 0 HB1 ALA A 48 -2.203 -15.051 18.495 1.00 42.44 H new ATOM 0 HB2 ALA A 48 -1.552 -13.579 19.254 1.00 42.44 H new ATOM 0 HB3 ALA A 48 -2.838 -14.503 20.065 1.00 42.44 H new ATOM 745 N LEU A 49 -5.631 -14.302 19.074 1.00 70.01 N ATOM 746 CA LEU A 49 -6.915 -14.981 18.898 1.00 22.23 C ATOM 747 C LEU A 49 -7.845 -14.169 17.977 1.00 52.43 C ATOM 748 O LEU A 49 -8.299 -14.668 16.948 1.00 0.11 O ATOM 749 CB LEU A 49 -7.580 -15.208 20.265 1.00 53.31 C ATOM 750 CG LEU A 49 -8.994 -15.819 20.222 1.00 42.32 C ATOM 751 CD1 LEU A 49 -8.987 -17.176 19.517 1.00 4.33 C ATOM 752 CD2 LEU A 49 -9.571 -15.941 21.632 1.00 55.31 C ATOM 0 H LEU A 49 -5.477 -13.934 20.013 1.00 70.01 H new ATOM 0 HA LEU A 49 -6.733 -15.947 18.427 1.00 22.23 H new ATOM 0 HB2 LEU A 49 -6.939 -15.861 20.857 1.00 53.31 H new ATOM 0 HB3 LEU A 49 -7.632 -14.253 20.787 1.00 53.31 H new ATOM 0 HG LEU A 49 -9.633 -15.149 19.647 1.00 42.32 H new ATOM 0 HD11 LEU A 49 -9.998 -17.583 19.502 1.00 4.33 H new ATOM 0 HD12 LEU A 49 -8.630 -17.053 18.495 1.00 4.33 H new ATOM 0 HD13 LEU A 49 -8.328 -17.860 20.052 1.00 4.33 H new ATOM 0 HD21 LEU A 49 -10.570 -16.374 21.580 1.00 55.31 H new ATOM 0 HD22 LEU A 49 -8.928 -16.583 22.234 1.00 55.31 H new ATOM 0 HD23 LEU A 49 -9.628 -14.953 22.089 1.00 55.31 H new ATOM 764 N LYS A 50 -8.084 -12.908 18.347 1.00 53.44 N ATOM 765 CA LYS A 50 -9.005 -12.010 17.622 1.00 40.24 C ATOM 766 C LYS A 50 -8.728 -11.955 16.111 1.00 75.32 C ATOM 767 O LYS A 50 -9.656 -11.865 15.308 1.00 43.21 O ATOM 768 CB LYS A 50 -8.910 -10.591 18.200 1.00 13.22 C ATOM 769 CG LYS A 50 -9.450 -10.456 19.620 1.00 11.41 C ATOM 770 CD LYS A 50 -9.054 -9.119 20.243 1.00 54.11 C ATOM 771 CE LYS A 50 -9.531 -7.931 19.411 1.00 12.22 C ATOM 772 NZ LYS A 50 -8.986 -6.642 19.915 1.00 2.23 N ATOM 0 H LYS A 50 -7.646 -12.474 19.159 1.00 53.44 H new ATOM 0 HA LYS A 50 -10.007 -12.417 17.756 1.00 40.24 H new ATOM 0 HB2 LYS A 50 -7.867 -10.275 18.189 1.00 13.22 H new ATOM 0 HB3 LYS A 50 -9.457 -9.908 17.549 1.00 13.22 H new ATOM 0 HG2 LYS A 50 -10.536 -10.546 19.608 1.00 11.41 H new ATOM 0 HG3 LYS A 50 -9.070 -11.272 20.234 1.00 11.41 H new ATOM 0 HD2 LYS A 50 -9.474 -9.049 21.247 1.00 54.11 H new ATOM 0 HD3 LYS A 50 -7.970 -9.076 20.347 1.00 54.11 H new ATOM 0 HE2 LYS A 50 -9.229 -8.071 18.373 1.00 12.22 H new ATOM 0 HE3 LYS A 50 -10.620 -7.894 19.424 1.00 12.22 H new ATOM 0 HZ1 LYS A 50 -9.572 -5.857 19.566 1.00 2.23 H new ATOM 0 HZ2 LYS A 50 -8.994 -6.644 20.955 1.00 2.23 H new ATOM 0 HZ3 LYS A 50 -8.010 -6.522 19.577 1.00 2.23 H new ATOM 786 N ARG A 51 -7.452 -12.009 15.725 1.00 64.50 N ATOM 787 CA ARG A 51 -7.074 -11.898 14.308 1.00 13.02 C ATOM 788 C ARG A 51 -7.462 -13.160 13.500 1.00 14.10 C ATOM 789 O ARG A 51 -7.196 -13.253 12.301 1.00 10.23 O ATOM 790 CB ARG A 51 -5.570 -11.593 14.185 1.00 1.03 C ATOM 791 CG ARG A 51 -4.650 -12.780 14.463 1.00 65.50 C ATOM 792 CD ARG A 51 -3.215 -12.337 14.762 1.00 42.31 C ATOM 793 NE ARG A 51 -2.803 -11.186 13.958 1.00 70.34 N ATOM 794 CZ ARG A 51 -2.237 -11.258 12.785 1.00 55.22 C ATOM 795 NH1 ARG A 51 -1.994 -12.405 12.234 1.00 33.13 N ATOM 796 NH2 ARG A 51 -1.914 -10.172 12.164 1.00 11.21 N ATOM 0 H ARG A 51 -6.666 -12.128 16.365 1.00 64.50 H new ATOM 0 HA ARG A 51 -7.635 -11.070 13.876 1.00 13.02 H new ATOM 0 HB2 ARG A 51 -5.370 -11.224 13.179 1.00 1.03 H new ATOM 0 HB3 ARG A 51 -5.319 -10.788 14.876 1.00 1.03 H new ATOM 0 HG2 ARG A 51 -5.037 -13.348 15.309 1.00 65.50 H new ATOM 0 HG3 ARG A 51 -4.651 -13.449 13.602 1.00 65.50 H new ATOM 0 HD2 ARG A 51 -3.129 -12.087 15.819 1.00 42.31 H new ATOM 0 HD3 ARG A 51 -2.535 -13.168 14.575 1.00 42.31 H new ATOM 0 HE ARG A 51 -2.971 -10.257 14.344 1.00 70.34 H new ATOM 0 HH11 ARG A 51 -2.246 -13.267 12.718 1.00 33.13 H new ATOM 0 HH12 ARG A 51 -1.551 -12.446 11.316 1.00 33.13 H new ATOM 0 HH21 ARG A 51 -2.102 -9.265 12.591 1.00 11.21 H new ATOM 0 HH22 ARG A 51 -1.471 -10.222 11.247 1.00 11.21 H new ATOM 810 N HIS A 52 -8.097 -14.125 14.169 1.00 10.24 N ATOM 811 CA HIS A 52 -8.669 -15.301 13.502 1.00 64.21 C ATOM 812 C HIS A 52 -10.158 -15.066 13.177 1.00 62.54 C ATOM 813 O HIS A 52 -10.921 -14.620 14.034 1.00 21.13 O ATOM 814 CB HIS A 52 -8.521 -16.545 14.390 1.00 55.43 C ATOM 815 CG HIS A 52 -7.111 -17.047 14.507 1.00 43.21 C ATOM 816 ND1 HIS A 52 -6.185 -16.513 15.378 1.00 24.15 N ATOM 817 CD2 HIS A 52 -6.474 -18.054 13.862 1.00 63.12 C ATOM 818 CE1 HIS A 52 -5.045 -17.167 15.262 1.00 30.24 C ATOM 819 NE2 HIS A 52 -5.193 -18.106 14.352 1.00 45.33 N ATOM 0 H HIS A 52 -8.230 -14.116 15.180 1.00 10.24 H new ATOM 0 HA HIS A 52 -8.126 -15.463 12.571 1.00 64.21 H new ATOM 0 HB2 HIS A 52 -8.898 -16.314 15.387 1.00 55.43 H new ATOM 0 HB3 HIS A 52 -9.147 -17.342 13.989 1.00 55.43 H new ATOM 0 HD1 HIS A 52 -6.355 -15.733 16.013 1.00 24.15 H new ATOM 0 HD2 HIS A 52 -6.896 -18.696 13.103 1.00 63.12 H new ATOM 0 HE1 HIS A 52 -4.142 -16.966 15.820 1.00 30.24 H new ATOM 828 N PRO A 53 -10.597 -15.394 11.946 1.00 63.31 N ATOM 829 CA PRO A 53 -11.978 -15.119 11.484 1.00 53.12 C ATOM 830 C PRO A 53 -13.067 -15.856 12.293 1.00 31.32 C ATOM 831 O PRO A 53 -14.258 -15.555 12.167 1.00 32.40 O ATOM 832 CB PRO A 53 -11.963 -15.600 10.021 1.00 14.44 C ATOM 833 CG PRO A 53 -10.834 -16.574 9.949 1.00 45.24 C ATOM 834 CD PRO A 53 -9.793 -16.056 10.902 1.00 31.55 C ATOM 0 HA PRO A 53 -12.233 -14.066 11.607 1.00 53.12 H new ATOM 0 HB2 PRO A 53 -12.908 -16.070 9.750 1.00 14.44 H new ATOM 0 HB3 PRO A 53 -11.812 -14.768 9.333 1.00 14.44 H new ATOM 0 HG2 PRO A 53 -11.161 -17.575 10.231 1.00 45.24 H new ATOM 0 HG3 PRO A 53 -10.439 -16.642 8.935 1.00 45.24 H new ATOM 0 HD2 PRO A 53 -9.185 -16.862 11.312 1.00 31.55 H new ATOM 0 HD3 PRO A 53 -9.112 -15.359 10.415 1.00 31.55 H new ATOM 842 N ASP A 54 -12.660 -16.818 13.118 1.00 4.33 N ATOM 843 CA ASP A 54 -13.603 -17.591 13.937 1.00 22.45 C ATOM 844 C ASP A 54 -13.287 -17.481 15.436 1.00 31.13 C ATOM 845 O ASP A 54 -13.619 -18.370 16.226 1.00 53.12 O ATOM 846 CB ASP A 54 -13.592 -19.052 13.490 1.00 61.52 C ATOM 847 CG ASP A 54 -14.094 -19.204 12.067 1.00 12.12 C ATOM 848 OD1 ASP A 54 -15.330 -19.246 11.874 1.00 62.32 O ATOM 849 OD2 ASP A 54 -13.261 -19.250 11.136 1.00 65.12 O ATOM 0 H ASP A 54 -11.683 -17.084 13.240 1.00 4.33 H new ATOM 0 HA ASP A 54 -14.599 -17.173 13.790 1.00 22.45 H new ATOM 0 HB2 ASP A 54 -12.579 -19.448 13.563 1.00 61.52 H new ATOM 0 HB3 ASP A 54 -14.215 -19.643 14.161 1.00 61.52 H new ATOM 854 N ALA A 55 -12.664 -16.377 15.830 1.00 44.11 N ATOM 855 CA ALA A 55 -12.364 -16.127 17.239 1.00 31.13 C ATOM 856 C ALA A 55 -13.633 -15.755 18.020 1.00 32.13 C ATOM 857 O ALA A 55 -13.940 -16.364 19.044 1.00 23.51 O ATOM 858 CB ALA A 55 -11.320 -15.027 17.369 1.00 2.40 C ATOM 0 H ALA A 55 -12.356 -15.640 15.196 1.00 44.11 H new ATOM 0 HA ALA A 55 -11.964 -17.046 17.667 1.00 31.13 H new ATOM 0 HB1 ALA A 55 -11.106 -14.851 18.423 1.00 2.40 H new ATOM 0 HB2 ALA A 55 -10.406 -15.331 16.859 1.00 2.40 H new ATOM 0 HB3 ALA A 55 -11.699 -14.110 16.918 1.00 2.40 H new ATOM 864 N THR A 56 -14.372 -14.767 17.507 1.00 52.13 N ATOM 865 CA THR A 56 -15.609 -14.272 18.148 1.00 74.53 C ATOM 866 C THR A 56 -16.533 -15.406 18.630 1.00 53.23 C ATOM 867 O THR A 56 -17.028 -15.375 19.761 1.00 13.22 O ATOM 868 CB THR A 56 -16.406 -13.341 17.194 1.00 52.10 C ATOM 869 OG1 THR A 56 -17.733 -13.125 17.700 1.00 34.43 O ATOM 870 CG2 THR A 56 -16.482 -13.919 15.782 1.00 23.11 C ATOM 0 H THR A 56 -14.137 -14.285 16.639 1.00 52.13 H new ATOM 0 HA THR A 56 -15.280 -13.711 19.023 1.00 74.53 H new ATOM 0 HB THR A 56 -15.877 -12.389 17.145 1.00 52.10 H new ATOM 0 HG1 THR A 56 -18.224 -12.535 17.090 1.00 34.43 H new ATOM 0 HG21 THR A 56 -17.047 -13.242 15.141 1.00 23.11 H new ATOM 0 HG22 THR A 56 -15.475 -14.040 15.384 1.00 23.11 H new ATOM 0 HG23 THR A 56 -16.979 -14.889 15.812 1.00 23.11 H new ATOM 878 N SER A 57 -16.745 -16.413 17.782 1.00 21.41 N ATOM 879 CA SER A 57 -17.599 -17.565 18.132 1.00 41.34 C ATOM 880 C SER A 57 -17.105 -18.282 19.399 1.00 42.44 C ATOM 881 O SER A 57 -17.902 -18.752 20.212 1.00 2.32 O ATOM 882 CB SER A 57 -17.650 -18.569 16.968 1.00 65.22 C ATOM 883 OG SER A 57 -18.427 -19.712 17.303 1.00 0.42 O ATOM 0 H SER A 57 -16.341 -16.461 16.847 1.00 21.41 H new ATOM 0 HA SER A 57 -18.598 -17.175 18.328 1.00 41.34 H new ATOM 0 HB2 SER A 57 -18.072 -18.086 16.087 1.00 65.22 H new ATOM 0 HB3 SER A 57 -16.638 -18.879 16.708 1.00 65.22 H new ATOM 0 HG SER A 57 -18.442 -20.331 16.544 1.00 0.42 H new ATOM 889 N LYS A 58 -15.784 -18.348 19.566 1.00 23.24 N ATOM 890 CA LYS A 58 -15.175 -19.032 20.715 1.00 54.23 C ATOM 891 C LYS A 58 -14.720 -18.042 21.808 1.00 4.21 C ATOM 892 O LYS A 58 -14.091 -18.434 22.792 1.00 74.24 O ATOM 893 CB LYS A 58 -14.005 -19.909 20.237 1.00 54.11 C ATOM 894 CG LYS A 58 -14.465 -21.157 19.478 1.00 13.44 C ATOM 895 CD LYS A 58 -13.300 -22.015 18.979 1.00 61.12 C ATOM 896 CE LYS A 58 -12.858 -21.644 17.563 1.00 32.52 C ATOM 897 NZ LYS A 58 -12.324 -20.258 17.466 1.00 75.33 N ATOM 0 H LYS A 58 -15.111 -17.936 18.920 1.00 23.24 H new ATOM 0 HA LYS A 58 -15.934 -19.668 21.170 1.00 54.23 H new ATOM 0 HB2 LYS A 58 -13.354 -19.318 19.593 1.00 54.11 H new ATOM 0 HB3 LYS A 58 -13.410 -20.213 21.098 1.00 54.11 H new ATOM 0 HG2 LYS A 58 -15.100 -21.758 20.129 1.00 13.44 H new ATOM 0 HG3 LYS A 58 -15.076 -20.854 18.628 1.00 13.44 H new ATOM 0 HD2 LYS A 58 -12.456 -21.905 19.659 1.00 61.12 H new ATOM 0 HD3 LYS A 58 -13.592 -23.065 19.001 1.00 61.12 H new ATOM 0 HE2 LYS A 58 -12.093 -22.346 17.231 1.00 32.52 H new ATOM 0 HE3 LYS A 58 -13.704 -21.750 16.884 1.00 32.52 H new ATOM 0 HZ1 LYS A 58 -11.587 -20.220 16.733 1.00 75.33 H new ATOM 0 HZ2 LYS A 58 -13.095 -19.606 17.216 1.00 75.33 H new ATOM 0 HZ3 LYS A 58 -11.917 -19.978 18.381 1.00 75.33 H new ATOM 911 N ILE A 59 -15.035 -16.758 21.627 1.00 13.22 N ATOM 912 CA ILE A 59 -14.821 -15.754 22.680 1.00 63.10 C ATOM 913 C ILE A 59 -16.053 -15.669 23.593 1.00 54.41 C ATOM 914 O ILE A 59 -15.929 -15.648 24.823 1.00 41.44 O ATOM 915 CB ILE A 59 -14.506 -14.349 22.095 1.00 12.05 C ATOM 916 CG1 ILE A 59 -13.166 -14.378 21.344 1.00 2.42 C ATOM 917 CG2 ILE A 59 -14.478 -13.290 23.201 1.00 2.03 C ATOM 918 CD1 ILE A 59 -12.786 -13.057 20.705 1.00 70.15 C ATOM 0 H ILE A 59 -15.438 -16.387 20.767 1.00 13.22 H new ATOM 0 HA ILE A 59 -13.955 -16.076 23.259 1.00 63.10 H new ATOM 0 HB ILE A 59 -15.297 -14.083 21.394 1.00 12.05 H new ATOM 0 HG12 ILE A 59 -12.379 -14.673 22.038 1.00 2.42 H new ATOM 0 HG13 ILE A 59 -13.212 -15.144 20.570 1.00 2.42 H new ATOM 0 HG21 ILE A 59 -14.256 -12.316 22.766 1.00 2.03 H new ATOM 0 HG22 ILE A 59 -15.449 -13.254 23.695 1.00 2.03 H new ATOM 0 HG23 ILE A 59 -13.709 -13.546 23.930 1.00 2.03 H new ATOM 0 HD11 ILE A 59 -11.828 -13.162 20.195 1.00 70.15 H new ATOM 0 HD12 ILE A 59 -13.551 -12.768 19.984 1.00 70.15 H new ATOM 0 HD13 ILE A 59 -12.705 -12.290 21.475 1.00 70.15 H new ATOM 930 N GLY A 60 -17.232 -15.617 22.973 1.00 52.52 N ATOM 931 CA GLY A 60 -18.496 -15.671 23.705 1.00 12.23 C ATOM 932 C GLY A 60 -18.670 -14.585 24.773 1.00 54.20 C ATOM 933 O GLY A 60 -18.689 -13.392 24.453 1.00 40.04 O ATOM 0 H GLY A 60 -17.337 -15.537 21.962 1.00 52.52 H new ATOM 0 HA2 GLY A 60 -19.316 -15.593 22.991 1.00 12.23 H new ATOM 0 HA3 GLY A 60 -18.581 -16.647 24.183 1.00 12.23 H new ATOM 937 N PRO A 61 -18.801 -14.978 26.061 1.00 50.23 N ATOM 938 CA PRO A 61 -19.077 -14.038 27.167 1.00 20.32 C ATOM 939 C PRO A 61 -17.863 -13.182 27.576 1.00 62.42 C ATOM 940 O PRO A 61 -17.974 -12.308 28.438 1.00 3.21 O ATOM 941 CB PRO A 61 -19.488 -14.973 28.313 1.00 42.43 C ATOM 942 CG PRO A 61 -18.750 -16.240 28.042 1.00 51.03 C ATOM 943 CD PRO A 61 -18.698 -16.375 26.542 1.00 3.30 C ATOM 0 HA PRO A 61 -19.831 -13.303 26.886 1.00 20.32 H new ATOM 0 HB2 PRO A 61 -19.217 -14.555 29.283 1.00 42.43 H new ATOM 0 HB3 PRO A 61 -20.566 -15.136 28.326 1.00 42.43 H new ATOM 0 HG2 PRO A 61 -17.746 -16.206 28.466 1.00 51.03 H new ATOM 0 HG3 PRO A 61 -19.258 -17.092 28.493 1.00 51.03 H new ATOM 0 HD2 PRO A 61 -17.771 -16.844 26.214 1.00 3.30 H new ATOM 0 HD3 PRO A 61 -19.516 -16.989 26.166 1.00 3.30 H new ATOM 951 N GLY A 62 -16.707 -13.435 26.965 1.00 22.10 N ATOM 952 CA GLY A 62 -15.513 -12.645 27.267 1.00 10.11 C ATOM 953 C GLY A 62 -14.316 -13.490 27.696 1.00 51.30 C ATOM 954 O GLY A 62 -14.444 -14.687 27.966 1.00 62.03 O ATOM 0 H GLY A 62 -16.571 -14.168 26.269 1.00 22.10 H new ATOM 0 HA2 GLY A 62 -15.240 -12.063 26.387 1.00 10.11 H new ATOM 0 HA3 GLY A 62 -15.748 -11.934 28.059 1.00 10.11 H new ATOM 958 N VAL A 63 -13.143 -12.862 27.763 1.00 4.32 N ATOM 959 CA VAL A 63 -11.903 -13.558 28.117 1.00 53.44 C ATOM 960 C VAL A 63 -11.673 -13.593 29.636 1.00 73.30 C ATOM 961 O VAL A 63 -11.535 -12.549 30.279 1.00 54.14 O ATOM 962 CB VAL A 63 -10.679 -12.892 27.434 1.00 62.25 C ATOM 963 CG1 VAL A 63 -9.382 -13.615 27.801 1.00 60.14 C ATOM 964 CG2 VAL A 63 -10.864 -12.850 25.916 1.00 4.44 C ATOM 0 H VAL A 63 -13.024 -11.866 27.576 1.00 4.32 H new ATOM 0 HA VAL A 63 -12.010 -14.582 27.760 1.00 53.44 H new ATOM 0 HB VAL A 63 -10.607 -11.868 27.800 1.00 62.25 H new ATOM 0 HG11 VAL A 63 -8.541 -13.127 27.308 1.00 60.14 H new ATOM 0 HG12 VAL A 63 -9.239 -13.581 28.881 1.00 60.14 H new ATOM 0 HG13 VAL A 63 -9.440 -14.654 27.476 1.00 60.14 H new ATOM 0 HG21 VAL A 63 -9.995 -12.379 25.456 1.00 4.44 H new ATOM 0 HG22 VAL A 63 -10.971 -13.865 25.534 1.00 4.44 H new ATOM 0 HG23 VAL A 63 -11.758 -12.275 25.674 1.00 4.44 H new ATOM 974 N ARG A 64 -11.638 -14.799 30.206 1.00 63.31 N ATOM 975 CA ARG A 64 -11.294 -14.972 31.621 1.00 51.51 C ATOM 976 C ARG A 64 -9.764 -14.896 31.782 1.00 42.44 C ATOM 977 O ARG A 64 -9.248 -14.019 32.471 1.00 40.22 O ATOM 978 CB ARG A 64 -11.854 -16.314 32.138 1.00 22.54 C ATOM 979 CG ARG A 64 -12.052 -16.397 33.658 1.00 1.12 C ATOM 980 CD ARG A 64 -10.740 -16.520 34.427 1.00 3.34 C ATOM 981 NE ARG A 64 -10.960 -16.665 35.865 1.00 44.01 N ATOM 982 CZ ARG A 64 -10.077 -17.148 36.697 1.00 0.10 C ATOM 983 NH1 ARG A 64 -8.925 -17.548 36.267 1.00 15.21 N ATOM 984 NH2 ARG A 64 -10.351 -17.243 37.954 1.00 1.12 N ATOM 0 H ARG A 64 -11.843 -15.668 29.713 1.00 63.31 H new ATOM 0 HA ARG A 64 -11.742 -14.177 32.216 1.00 51.51 H new ATOM 0 HB2 ARG A 64 -12.812 -16.501 31.652 1.00 22.54 H new ATOM 0 HB3 ARG A 64 -11.179 -17.113 31.831 1.00 22.54 H new ATOM 0 HG2 ARG A 64 -12.584 -15.508 33.998 1.00 1.12 H new ATOM 0 HG3 ARG A 64 -12.684 -17.254 33.890 1.00 1.12 H new ATOM 0 HD2 ARG A 64 -10.182 -17.380 34.057 1.00 3.34 H new ATOM 0 HD3 ARG A 64 -10.127 -15.638 34.241 1.00 3.34 H new ATOM 0 HE ARG A 64 -11.861 -16.370 36.242 1.00 44.01 H new ATOM 0 HH11 ARG A 64 -8.702 -17.487 35.273 1.00 15.21 H new ATOM 0 HH12 ARG A 64 -8.239 -17.924 36.921 1.00 15.21 H new ATOM 0 HH21 ARG A 64 -11.261 -16.940 38.302 1.00 1.12 H new ATOM 0 HH22 ARG A 64 -9.658 -17.621 38.600 1.00 1.12 H new ATOM 998 N ASN A 65 -9.052 -15.822 31.131 1.00 23.24 N ATOM 999 CA ASN A 65 -7.585 -15.762 31.030 1.00 33.01 C ATOM 1000 C ASN A 65 -7.052 -16.803 30.027 1.00 70.10 C ATOM 1001 O ASN A 65 -7.825 -17.463 29.322 1.00 53.24 O ATOM 1002 CB ASN A 65 -6.911 -15.952 32.406 1.00 43.21 C ATOM 1003 CG ASN A 65 -7.168 -17.313 33.040 1.00 52.41 C ATOM 1004 OD1 ASN A 65 -7.434 -18.296 32.367 1.00 10.22 O ATOM 1005 ND2 ASN A 65 -7.065 -17.384 34.349 1.00 44.23 N ATOM 0 H ASN A 65 -9.468 -16.627 30.663 1.00 23.24 H new ATOM 0 HA ASN A 65 -7.331 -14.767 30.664 1.00 33.01 H new ATOM 0 HB2 ASN A 65 -5.836 -15.812 32.295 1.00 43.21 H new ATOM 0 HB3 ASN A 65 -7.265 -15.175 33.083 1.00 43.21 H new ATOM 0 HD21 ASN A 65 -7.208 -18.275 34.824 1.00 44.23 H new ATOM 0 HD22 ASN A 65 -6.842 -16.548 34.889 1.00 44.23 H new ATOM 1012 N PHE A 66 -5.728 -16.927 29.959 1.00 23.32 N ATOM 1013 CA PHE A 66 -5.075 -17.963 29.150 1.00 40.11 C ATOM 1014 C PHE A 66 -4.224 -18.878 30.039 1.00 64.25 C ATOM 1015 O PHE A 66 -3.429 -18.403 30.850 1.00 70.20 O ATOM 1016 CB PHE A 66 -4.198 -17.330 28.062 1.00 74.53 C ATOM 1017 CG PHE A 66 -4.977 -16.655 26.962 1.00 71.12 C ATOM 1018 CD1 PHE A 66 -5.438 -15.355 27.114 1.00 54.14 C ATOM 1019 CD2 PHE A 66 -5.250 -17.324 25.775 1.00 15.54 C ATOM 1020 CE1 PHE A 66 -6.156 -14.738 26.107 1.00 20.41 C ATOM 1021 CE2 PHE A 66 -5.966 -16.710 24.765 1.00 24.34 C ATOM 1022 CZ PHE A 66 -6.420 -15.416 24.931 1.00 34.04 C ATOM 0 H PHE A 66 -5.079 -16.319 30.458 1.00 23.32 H new ATOM 0 HA PHE A 66 -5.852 -18.558 28.669 1.00 40.11 H new ATOM 0 HB2 PHE A 66 -3.534 -16.599 28.524 1.00 74.53 H new ATOM 0 HB3 PHE A 66 -3.566 -18.103 27.624 1.00 74.53 H new ATOM 0 HD1 PHE A 66 -5.233 -14.819 28.029 1.00 54.14 H new ATOM 0 HD2 PHE A 66 -4.898 -18.336 25.640 1.00 15.54 H new ATOM 0 HE1 PHE A 66 -6.511 -13.726 26.239 1.00 20.41 H new ATOM 0 HE2 PHE A 66 -6.170 -17.241 23.847 1.00 24.34 H new ATOM 0 HZ PHE A 66 -6.980 -14.934 24.143 1.00 34.04 H new ATOM 1032 N GLU A 67 -4.393 -20.185 29.881 1.00 50.30 N ATOM 1033 CA GLU A 67 -3.665 -21.165 30.701 1.00 14.21 C ATOM 1034 C GLU A 67 -2.557 -21.867 29.903 1.00 2.22 C ATOM 1035 O GLU A 67 -2.701 -22.125 28.707 1.00 51.43 O ATOM 1036 CB GLU A 67 -4.640 -22.207 31.266 1.00 23.10 C ATOM 1037 CG GLU A 67 -3.982 -23.260 32.153 1.00 0.54 C ATOM 1038 CD GLU A 67 -4.987 -24.235 32.739 1.00 14.53 C ATOM 1039 OE1 GLU A 67 -5.336 -25.221 32.060 1.00 44.55 O ATOM 1040 OE2 GLU A 67 -5.437 -24.019 33.882 1.00 32.55 O ATOM 0 H GLU A 67 -5.025 -20.598 29.195 1.00 50.30 H new ATOM 0 HA GLU A 67 -3.193 -20.622 31.520 1.00 14.21 H new ATOM 0 HB2 GLU A 67 -5.411 -21.693 31.841 1.00 23.10 H new ATOM 0 HB3 GLU A 67 -5.141 -22.707 30.437 1.00 23.10 H new ATOM 0 HG2 GLU A 67 -3.243 -23.811 31.571 1.00 0.54 H new ATOM 0 HG3 GLU A 67 -3.446 -22.765 32.963 1.00 0.54 H new ATOM 1047 N VAL A 68 -1.450 -22.166 30.578 1.00 10.43 N ATOM 1048 CA VAL A 68 -0.346 -22.914 29.973 1.00 31.23 C ATOM 1049 C VAL A 68 -0.409 -24.385 30.413 1.00 14.11 C ATOM 1050 O VAL A 68 0.051 -24.743 31.496 1.00 33.14 O ATOM 1051 CB VAL A 68 1.022 -22.302 30.365 1.00 53.21 C ATOM 1052 CG1 VAL A 68 2.169 -23.029 29.669 1.00 72.15 C ATOM 1053 CG2 VAL A 68 1.050 -20.808 30.048 1.00 62.24 C ATOM 0 H VAL A 68 -1.291 -21.901 31.550 1.00 10.43 H new ATOM 0 HA VAL A 68 -0.446 -22.856 28.889 1.00 31.23 H new ATOM 0 HB VAL A 68 1.155 -22.427 31.440 1.00 53.21 H new ATOM 0 HG11 VAL A 68 3.117 -22.578 29.963 1.00 72.15 H new ATOM 0 HG12 VAL A 68 2.162 -24.080 29.958 1.00 72.15 H new ATOM 0 HG13 VAL A 68 2.048 -22.949 28.589 1.00 72.15 H new ATOM 0 HG21 VAL A 68 2.018 -20.394 30.330 1.00 62.24 H new ATOM 0 HG22 VAL A 68 0.889 -20.660 28.980 1.00 62.24 H new ATOM 0 HG23 VAL A 68 0.263 -20.303 30.607 1.00 62.24 H new ATOM 1063 N ARG A 69 -1.002 -25.230 29.575 1.00 14.11 N ATOM 1064 CA ARG A 69 -1.258 -26.629 29.939 1.00 1.34 C ATOM 1065 C ARG A 69 -0.281 -27.595 29.241 1.00 1.45 C ATOM 1066 O ARG A 69 0.307 -27.266 28.211 1.00 42.01 O ATOM 1067 CB ARG A 69 -2.712 -26.983 29.597 1.00 11.44 C ATOM 1068 CG ARG A 69 -3.172 -28.334 30.130 1.00 54.11 C ATOM 1069 CD ARG A 69 -4.653 -28.570 29.860 1.00 32.51 C ATOM 1070 NE ARG A 69 -5.493 -27.558 30.495 1.00 52.35 N ATOM 1071 CZ ARG A 69 -6.788 -27.647 30.625 1.00 1.11 C ATOM 1072 NH1 ARG A 69 -7.433 -28.685 30.196 1.00 55.10 N ATOM 1073 NH2 ARG A 69 -7.436 -26.690 31.197 1.00 1.23 N ATOM 0 H ARG A 69 -1.316 -24.975 28.639 1.00 14.11 H new ATOM 0 HA ARG A 69 -1.097 -26.740 31.011 1.00 1.34 H new ATOM 0 HB2 ARG A 69 -3.366 -26.207 29.996 1.00 11.44 H new ATOM 0 HB3 ARG A 69 -2.830 -26.974 28.513 1.00 11.44 H new ATOM 0 HG2 ARG A 69 -2.586 -29.127 29.666 1.00 54.11 H new ATOM 0 HG3 ARG A 69 -2.985 -28.385 31.203 1.00 54.11 H new ATOM 0 HD2 ARG A 69 -4.831 -28.566 28.785 1.00 32.51 H new ATOM 0 HD3 ARG A 69 -4.935 -29.557 30.226 1.00 32.51 H new ATOM 0 HE ARG A 69 -5.035 -26.724 30.862 1.00 52.35 H new ATOM 0 HH11 ARG A 69 -6.928 -29.450 29.748 1.00 55.10 H new ATOM 0 HH12 ARG A 69 -8.446 -28.738 30.306 1.00 55.10 H new ATOM 0 HH21 ARG A 69 -6.936 -25.871 31.544 1.00 1.23 H new ATOM 0 HH22 ARG A 69 -8.449 -26.752 31.303 1.00 1.23 H new ATOM 1087 N SER A 70 -0.118 -28.789 29.819 1.00 32.21 N ATOM 1088 CA SER A 70 0.828 -29.803 29.310 1.00 1.25 C ATOM 1089 C SER A 70 0.569 -30.182 27.843 1.00 24.01 C ATOM 1090 O SER A 70 -0.574 -30.185 27.376 1.00 31.34 O ATOM 1091 CB SER A 70 0.754 -31.070 30.172 1.00 3.50 C ATOM 1092 OG SER A 70 0.930 -30.772 31.549 1.00 11.42 O ATOM 0 H SER A 70 -0.632 -29.085 30.649 1.00 32.21 H new ATOM 0 HA SER A 70 1.821 -29.356 29.366 1.00 1.25 H new ATOM 0 HB2 SER A 70 -0.210 -31.556 30.024 1.00 3.50 H new ATOM 0 HB3 SER A 70 1.520 -31.776 29.850 1.00 3.50 H new ATOM 0 HG SER A 70 0.876 -31.599 32.072 1.00 11.42 H new ATOM 1162 N GLN A 76 4.493 -26.735 26.031 1.00 31.12 N ATOM 1163 CA GLN A 76 3.121 -26.665 26.549 1.00 3.15 C ATOM 1164 C GLN A 76 2.162 -26.107 25.481 1.00 44.52 C ATOM 1165 O GLN A 76 2.548 -25.930 24.326 1.00 13.34 O ATOM 1166 CB GLN A 76 3.063 -25.787 27.808 1.00 11.34 C ATOM 1167 CG GLN A 76 4.058 -26.180 28.902 1.00 75.41 C ATOM 1168 CD GLN A 76 5.483 -25.712 28.634 1.00 4.22 C ATOM 1169 OE1 GLN A 76 5.636 -24.543 28.040 1.00 13.03 O flip ATOM 1170 NE2 GLN A 76 6.445 -26.379 28.996 1.00 44.31 N flip ATOM 0 HA GLN A 76 2.808 -27.677 26.808 1.00 3.15 H new ATOM 0 HB2 GLN A 76 3.247 -24.751 27.522 1.00 11.34 H new ATOM 0 HB3 GLN A 76 2.054 -25.830 28.219 1.00 11.34 H new ATOM 0 HG2 GLN A 76 3.722 -25.765 29.852 1.00 75.41 H new ATOM 0 HG3 GLN A 76 4.056 -27.265 29.010 1.00 75.41 H new ATOM 0 HE21 GLN A 76 6.299 -27.279 29.453 1.00 44.31 H new ATOM 0 HE22 GLN A 76 7.392 -26.034 28.841 1.00 44.31 H new ATOM 1179 N CYS A 77 0.917 -25.832 25.870 1.00 4.25 N ATOM 1180 CA CYS A 77 -0.075 -25.255 24.949 1.00 34.32 C ATOM 1181 C CYS A 77 -0.912 -24.168 25.634 1.00 2.24 C ATOM 1182 O CYS A 77 -1.191 -24.249 26.831 1.00 20.24 O ATOM 1183 CB CYS A 77 -1.006 -26.345 24.402 1.00 1.44 C ATOM 1184 SG CYS A 77 -2.294 -25.728 23.287 1.00 20.22 S ATOM 0 H CYS A 77 0.567 -25.997 26.814 1.00 4.25 H new ATOM 0 HA CYS A 77 0.476 -24.802 24.125 1.00 34.32 H new ATOM 0 HB2 CYS A 77 -0.408 -27.087 23.873 1.00 1.44 H new ATOM 0 HB3 CYS A 77 -1.480 -26.856 25.240 1.00 1.44 H new ATOM 0 HG CYS A 77 -3.026 -26.721 22.877 1.00 20.22 H new ATOM 1190 N PHE A 78 -1.304 -23.149 24.870 1.00 71.41 N ATOM 1191 CA PHE A 78 -2.158 -22.073 25.386 1.00 14.43 C ATOM 1192 C PHE A 78 -3.641 -22.465 25.318 1.00 41.00 C ATOM 1193 O PHE A 78 -4.131 -22.908 24.276 1.00 64.00 O ATOM 1194 CB PHE A 78 -1.937 -20.778 24.594 1.00 30.54 C ATOM 1195 CG PHE A 78 -0.538 -20.220 24.699 1.00 20.52 C ATOM 1196 CD1 PHE A 78 -0.058 -19.744 25.912 1.00 50.24 C ATOM 1197 CD2 PHE A 78 0.293 -20.167 23.588 1.00 15.32 C ATOM 1198 CE1 PHE A 78 1.219 -19.226 26.014 1.00 23.34 C ATOM 1199 CE2 PHE A 78 1.571 -19.649 23.684 1.00 14.24 C ATOM 1200 CZ PHE A 78 2.035 -19.178 24.899 1.00 30.30 C ATOM 0 H PHE A 78 -1.045 -23.044 23.889 1.00 71.41 H new ATOM 0 HA PHE A 78 -1.884 -21.908 26.428 1.00 14.43 H new ATOM 0 HB2 PHE A 78 -2.164 -20.964 23.544 1.00 30.54 H new ATOM 0 HB3 PHE A 78 -2.644 -20.026 24.945 1.00 30.54 H new ATOM 0 HD1 PHE A 78 -0.691 -19.779 26.787 1.00 50.24 H new ATOM 0 HD2 PHE A 78 -0.063 -20.535 22.637 1.00 15.32 H new ATOM 0 HE1 PHE A 78 1.579 -18.859 26.964 1.00 23.34 H new ATOM 0 HE2 PHE A 78 2.206 -19.612 22.811 1.00 14.24 H new ATOM 0 HZ PHE A 78 3.033 -18.773 24.977 1.00 30.30 H new ATOM 1210 N TRP A 79 -4.349 -22.306 26.434 1.00 22.12 N ATOM 1211 CA TRP A 79 -5.782 -22.611 26.497 1.00 53.44 C ATOM 1212 C TRP A 79 -6.628 -21.351 26.739 1.00 23.33 C ATOM 1213 O TRP A 79 -6.298 -20.506 27.571 1.00 44.21 O ATOM 1214 CB TRP A 79 -6.061 -23.655 27.586 1.00 15.35 C ATOM 1215 CG TRP A 79 -5.683 -25.049 27.178 1.00 55.35 C ATOM 1216 CD1 TRP A 79 -4.422 -25.544 27.007 1.00 12.31 C ATOM 1217 CD2 TRP A 79 -6.581 -26.130 26.890 1.00 2.21 C ATOM 1218 NE1 TRP A 79 -4.481 -26.861 26.620 1.00 34.42 N ATOM 1219 CE2 TRP A 79 -5.795 -27.244 26.543 1.00 5.24 C ATOM 1220 CE3 TRP A 79 -7.974 -26.261 26.886 1.00 12.21 C ATOM 1221 CZ2 TRP A 79 -6.354 -28.474 26.201 1.00 72.41 C ATOM 1222 CZ3 TRP A 79 -8.528 -27.482 26.550 1.00 34.12 C ATOM 1223 CH2 TRP A 79 -7.719 -28.574 26.209 1.00 21.44 C ATOM 0 H TRP A 79 -3.955 -21.967 27.311 1.00 22.12 H new ATOM 0 HA TRP A 79 -6.070 -23.019 25.528 1.00 53.44 H new ATOM 0 HB2 TRP A 79 -5.512 -23.386 28.488 1.00 15.35 H new ATOM 0 HB3 TRP A 79 -7.121 -23.632 27.839 1.00 15.35 H new ATOM 0 HD1 TRP A 79 -3.511 -24.982 27.154 1.00 12.31 H new ATOM 0 HE1 TRP A 79 -3.677 -27.457 26.422 1.00 34.42 H new ATOM 0 HE3 TRP A 79 -8.605 -25.423 27.141 1.00 12.21 H new ATOM 0 HZ2 TRP A 79 -5.733 -29.318 25.939 1.00 72.41 H new ATOM 0 HZ3 TRP A 79 -9.602 -27.596 26.550 1.00 34.12 H new ATOM 0 HH2 TRP A 79 -8.182 -29.514 25.947 1.00 21.44 H new ATOM 1234 N ILE A 80 -7.719 -21.250 25.990 1.00 3.42 N ATOM 1235 CA ILE A 80 -8.665 -20.137 26.088 1.00 42.51 C ATOM 1236 C ILE A 80 -9.723 -20.396 27.176 1.00 3.12 C ATOM 1237 O ILE A 80 -10.651 -21.184 26.977 1.00 51.40 O ATOM 1238 CB ILE A 80 -9.385 -19.923 24.730 1.00 61.54 C ATOM 1239 CG1 ILE A 80 -8.362 -19.728 23.600 1.00 73.44 C ATOM 1240 CG2 ILE A 80 -10.347 -18.739 24.801 1.00 30.41 C ATOM 1241 CD1 ILE A 80 -8.987 -19.646 22.221 1.00 73.42 C ATOM 0 H ILE A 80 -7.978 -21.944 25.289 1.00 3.42 H new ATOM 0 HA ILE A 80 -8.096 -19.246 26.353 1.00 42.51 H new ATOM 0 HB ILE A 80 -9.970 -20.817 24.512 1.00 61.54 H new ATOM 0 HG12 ILE A 80 -7.796 -18.816 23.788 1.00 73.44 H new ATOM 0 HG13 ILE A 80 -7.651 -20.554 23.619 1.00 73.44 H new ATOM 0 HG21 ILE A 80 -10.838 -18.611 23.836 1.00 30.41 H new ATOM 0 HG22 ILE A 80 -11.098 -18.926 25.569 1.00 30.41 H new ATOM 0 HG23 ILE A 80 -9.792 -17.834 25.049 1.00 30.41 H new ATOM 0 HD11 ILE A 80 -8.205 -19.508 21.475 1.00 73.42 H new ATOM 0 HD12 ILE A 80 -9.530 -20.568 22.012 1.00 73.42 H new ATOM 0 HD13 ILE A 80 -9.677 -18.803 22.184 1.00 73.42 H new ATOM 1253 N LEU A 81 -9.580 -19.735 28.323 1.00 1.14 N ATOM 1254 CA LEU A 81 -10.554 -19.863 29.415 1.00 33.52 C ATOM 1255 C LEU A 81 -11.708 -18.867 29.243 1.00 62.14 C ATOM 1256 O LEU A 81 -11.489 -17.666 29.031 1.00 1.20 O ATOM 1257 CB LEU A 81 -9.877 -19.657 30.783 1.00 54.30 C ATOM 1258 CG LEU A 81 -8.999 -20.822 31.280 1.00 51.03 C ATOM 1259 CD1 LEU A 81 -9.823 -22.098 31.419 1.00 63.43 C ATOM 1260 CD2 LEU A 81 -7.806 -21.046 30.356 1.00 64.03 C ATOM 0 H LEU A 81 -8.803 -19.106 28.524 1.00 1.14 H new ATOM 0 HA LEU A 81 -10.961 -20.873 29.377 1.00 33.52 H new ATOM 0 HB2 LEU A 81 -9.261 -18.759 30.731 1.00 54.30 H new ATOM 0 HB3 LEU A 81 -10.652 -19.469 31.526 1.00 54.30 H new ATOM 0 HG LEU A 81 -8.614 -20.555 32.264 1.00 51.03 H new ATOM 0 HD11 LEU A 81 -9.184 -22.908 31.771 1.00 63.43 H new ATOM 0 HD12 LEU A 81 -10.629 -21.935 32.135 1.00 63.43 H new ATOM 0 HD13 LEU A 81 -10.246 -22.365 30.451 1.00 63.43 H new ATOM 0 HD21 LEU A 81 -7.205 -21.874 30.732 1.00 64.03 H new ATOM 0 HD22 LEU A 81 -8.162 -21.282 29.353 1.00 64.03 H new ATOM 0 HD23 LEU A 81 -7.198 -20.142 30.322 1.00 64.03 H new ATOM 1272 N ARG A 82 -12.937 -19.373 29.309 1.00 62.11 N ATOM 1273 CA ARG A 82 -14.138 -18.539 29.195 1.00 61.25 C ATOM 1274 C ARG A 82 -14.770 -18.304 30.574 1.00 52.25 C ATOM 1275 O ARG A 82 -14.765 -19.193 31.426 1.00 11.33 O ATOM 1276 CB ARG A 82 -15.171 -19.203 28.270 1.00 33.20 C ATOM 1277 CG ARG A 82 -14.684 -19.475 26.845 1.00 74.14 C ATOM 1278 CD ARG A 82 -14.301 -18.199 26.099 1.00 63.44 C ATOM 1279 NE ARG A 82 -12.996 -17.688 26.514 1.00 44.31 N ATOM 1280 CZ ARG A 82 -12.515 -16.531 26.161 1.00 15.43 C ATOM 1281 NH1 ARG A 82 -13.243 -15.691 25.494 1.00 64.43 N ATOM 1282 NH2 ARG A 82 -11.315 -16.202 26.513 1.00 34.12 N ATOM 0 H ARG A 82 -13.131 -20.365 29.442 1.00 62.11 H new ATOM 0 HA ARG A 82 -13.839 -17.580 28.771 1.00 61.25 H new ATOM 0 HB2 ARG A 82 -15.483 -20.147 28.717 1.00 33.20 H new ATOM 0 HB3 ARG A 82 -16.054 -18.566 28.221 1.00 33.20 H new ATOM 0 HG2 ARG A 82 -13.823 -20.142 26.881 1.00 74.14 H new ATOM 0 HG3 ARG A 82 -15.466 -19.994 26.291 1.00 74.14 H new ATOM 0 HD2 ARG A 82 -14.288 -18.397 25.027 1.00 63.44 H new ATOM 0 HD3 ARG A 82 -15.060 -17.436 26.273 1.00 63.44 H new ATOM 0 HE ARG A 82 -12.425 -18.277 27.120 1.00 44.31 H new ATOM 0 HH11 ARG A 82 -14.201 -15.934 25.242 1.00 64.43 H new ATOM 0 HH12 ARG A 82 -12.858 -14.787 25.222 1.00 64.43 H new ATOM 0 HH21 ARG A 82 -10.750 -16.848 27.065 1.00 34.12 H new ATOM 0 HH22 ARG A 82 -10.933 -15.297 26.239 1.00 34.12 H new ATOM 1296 N THR A 83 -15.325 -17.110 30.785 1.00 41.32 N ATOM 1297 CA THR A 83 -16.010 -16.786 32.047 1.00 30.10 C ATOM 1298 C THR A 83 -17.130 -17.794 32.346 1.00 21.25 C ATOM 1299 O THR A 83 -17.403 -18.121 33.505 1.00 40.44 O ATOM 1300 CB THR A 83 -16.621 -15.368 32.012 1.00 74.01 C ATOM 1301 OG1 THR A 83 -17.532 -15.266 30.908 1.00 15.23 O ATOM 1302 CG2 THR A 83 -15.537 -14.303 31.880 1.00 20.44 C ATOM 0 H THR A 83 -15.316 -16.351 30.104 1.00 41.32 H new ATOM 0 HA THR A 83 -15.255 -16.834 32.832 1.00 30.10 H new ATOM 0 HB THR A 83 -17.151 -15.201 32.949 1.00 74.01 H new ATOM 0 HG1 THR A 83 -17.327 -14.461 30.388 1.00 15.23 H new ATOM 0 HG21 THR A 83 -15.998 -13.315 31.858 1.00 20.44 H new ATOM 0 HG22 THR A 83 -14.858 -14.368 32.730 1.00 20.44 H new ATOM 0 HG23 THR A 83 -14.979 -14.464 30.957 1.00 20.44 H new ATOM 1310 N ASP A 84 -17.771 -18.279 31.284 1.00 4.13 N ATOM 1311 CA ASP A 84 -18.805 -19.311 31.384 1.00 44.21 C ATOM 1312 C ASP A 84 -18.289 -20.575 32.095 1.00 31.43 C ATOM 1313 O ASP A 84 -18.826 -20.978 33.129 1.00 61.31 O ATOM 1314 CB ASP A 84 -19.309 -19.658 29.978 1.00 21.24 C ATOM 1315 CG ASP A 84 -20.073 -20.970 29.933 1.00 43.11 C ATOM 1316 OD1 ASP A 84 -21.251 -20.995 30.341 1.00 14.30 O ATOM 1317 OD2 ASP A 84 -19.490 -21.985 29.497 1.00 70.22 O ATOM 0 H ASP A 84 -17.589 -17.969 30.330 1.00 4.13 H new ATOM 0 HA ASP A 84 -19.624 -18.917 31.986 1.00 44.21 H new ATOM 0 HB2 ASP A 84 -19.953 -18.855 29.620 1.00 21.24 H new ATOM 0 HB3 ASP A 84 -18.460 -19.714 29.296 1.00 21.24 H new ATOM 1322 N GLY A 85 -17.249 -21.191 31.538 1.00 52.25 N ATOM 1323 CA GLY A 85 -16.714 -22.429 32.102 1.00 74.42 C ATOM 1324 C GLY A 85 -16.107 -23.354 31.050 1.00 31.33 C ATOM 1325 O GLY A 85 -15.158 -24.089 31.332 1.00 3.41 O ATOM 0 H GLY A 85 -16.764 -20.858 30.705 1.00 52.25 H new ATOM 0 HA2 GLY A 85 -15.954 -22.184 32.844 1.00 74.42 H new ATOM 0 HA3 GLY A 85 -17.511 -22.957 32.625 1.00 74.42 H new ATOM 1329 N SER A 86 -16.653 -23.322 29.835 1.00 53.44 N ATOM 1330 CA SER A 86 -16.147 -24.159 28.733 1.00 52.41 C ATOM 1331 C SER A 86 -14.832 -23.605 28.167 1.00 61.21 C ATOM 1332 O SER A 86 -14.814 -22.536 27.563 1.00 60.25 O ATOM 1333 CB SER A 86 -17.184 -24.256 27.602 1.00 31.04 C ATOM 1334 OG SER A 86 -18.409 -24.806 28.061 1.00 1.44 O ATOM 0 H SER A 86 -17.444 -22.729 29.583 1.00 53.44 H new ATOM 0 HA SER A 86 -15.962 -25.152 29.142 1.00 52.41 H new ATOM 0 HB2 SER A 86 -17.363 -23.265 27.186 1.00 31.04 H new ATOM 0 HB3 SER A 86 -16.787 -24.873 26.796 1.00 31.04 H new ATOM 0 HG SER A 86 -19.046 -24.852 27.318 1.00 1.44 H new ATOM 1340 N GLU A 87 -13.731 -24.331 28.367 1.00 63.25 N ATOM 1341 CA GLU A 87 -12.426 -23.913 27.833 1.00 1.25 C ATOM 1342 C GLU A 87 -12.149 -24.535 26.452 1.00 52.02 C ATOM 1343 O GLU A 87 -12.666 -25.606 26.116 1.00 61.32 O ATOM 1344 CB GLU A 87 -11.279 -24.261 28.804 1.00 33.33 C ATOM 1345 CG GLU A 87 -11.052 -25.757 29.041 1.00 11.01 C ATOM 1346 CD GLU A 87 -12.051 -26.372 30.009 1.00 20.32 C ATOM 1347 OE1 GLU A 87 -11.802 -26.332 31.233 1.00 55.53 O ATOM 1348 OE2 GLU A 87 -13.087 -26.900 29.553 1.00 23.40 O ATOM 0 H GLU A 87 -13.712 -25.206 28.891 1.00 63.25 H new ATOM 0 HA GLU A 87 -12.469 -22.830 27.720 1.00 1.25 H new ATOM 0 HB2 GLU A 87 -10.356 -23.827 28.420 1.00 33.33 H new ATOM 0 HB3 GLU A 87 -11.480 -23.785 29.763 1.00 33.33 H new ATOM 0 HG2 GLU A 87 -11.111 -26.282 28.087 1.00 11.01 H new ATOM 0 HG3 GLU A 87 -10.044 -25.908 29.426 1.00 11.01 H new ATOM 1355 N GLU A 88 -11.324 -23.853 25.664 1.00 60.14 N ATOM 1356 CA GLU A 88 -10.971 -24.301 24.309 1.00 14.22 C ATOM 1357 C GLU A 88 -9.466 -24.093 24.046 1.00 44.24 C ATOM 1358 O GLU A 88 -8.818 -23.307 24.729 1.00 3.31 O ATOM 1359 CB GLU A 88 -11.811 -23.524 23.275 1.00 42.21 C ATOM 1360 CG GLU A 88 -11.524 -23.878 21.815 1.00 15.32 C ATOM 1361 CD GLU A 88 -11.871 -25.319 21.463 1.00 23.33 C ATOM 1362 OE1 GLU A 88 -11.029 -26.215 21.686 1.00 2.34 O ATOM 1363 OE2 GLU A 88 -12.982 -25.562 20.945 1.00 65.15 O ATOM 0 H GLU A 88 -10.880 -22.977 25.939 1.00 60.14 H new ATOM 0 HA GLU A 88 -11.187 -25.366 24.218 1.00 14.22 H new ATOM 0 HB2 GLU A 88 -12.867 -23.705 23.477 1.00 42.21 H new ATOM 0 HB3 GLU A 88 -11.638 -22.457 23.416 1.00 42.21 H new ATOM 0 HG2 GLU A 88 -12.090 -23.207 21.168 1.00 15.32 H new ATOM 0 HG3 GLU A 88 -10.468 -23.705 21.608 1.00 15.32 H new ATOM 1370 N ARG A 89 -8.910 -24.808 23.074 1.00 1.12 N ATOM 1371 CA ARG A 89 -7.493 -24.655 22.710 1.00 63.12 C ATOM 1372 C ARG A 89 -7.337 -24.109 21.282 1.00 42.02 C ATOM 1373 O ARG A 89 -8.234 -24.254 20.449 1.00 51.23 O ATOM 1374 CB ARG A 89 -6.763 -26.000 22.827 1.00 70.25 C ATOM 1375 CG ARG A 89 -7.398 -27.121 22.007 1.00 12.43 C ATOM 1376 CD ARG A 89 -6.526 -28.373 21.993 1.00 43.13 C ATOM 1377 NE ARG A 89 -7.206 -29.517 21.384 1.00 45.43 N ATOM 1378 CZ ARG A 89 -6.900 -30.030 20.222 1.00 34.22 C ATOM 1379 NH1 ARG A 89 -6.023 -29.468 19.454 1.00 73.21 N ATOM 1380 NH2 ARG A 89 -7.504 -31.095 19.812 1.00 42.34 N ATOM 0 H ARG A 89 -9.413 -25.501 22.520 1.00 1.12 H new ATOM 0 HA ARG A 89 -7.051 -23.939 23.403 1.00 63.12 H new ATOM 0 HB2 ARG A 89 -5.729 -25.870 22.508 1.00 70.25 H new ATOM 0 HB3 ARG A 89 -6.738 -26.299 23.875 1.00 70.25 H new ATOM 0 HG2 ARG A 89 -8.377 -27.364 22.420 1.00 12.43 H new ATOM 0 HG3 ARG A 89 -7.559 -26.778 20.985 1.00 12.43 H new ATOM 0 HD2 ARG A 89 -5.606 -28.166 21.446 1.00 43.13 H new ATOM 0 HD3 ARG A 89 -6.239 -28.625 23.014 1.00 43.13 H new ATOM 0 HE ARG A 89 -7.973 -29.944 21.903 1.00 45.43 H new ATOM 0 HH11 ARG A 89 -5.558 -28.611 19.753 1.00 73.21 H new ATOM 0 HH12 ARG A 89 -5.796 -29.883 18.550 1.00 73.21 H new ATOM 0 HH21 ARG A 89 -8.217 -31.533 20.395 1.00 42.34 H new ATOM 0 HH22 ARG A 89 -7.268 -31.498 18.905 1.00 42.34 H new ATOM 1394 N PHE A 90 -6.194 -23.481 21.000 1.00 44.23 N ATOM 1395 CA PHE A 90 -5.905 -22.987 19.648 1.00 45.41 C ATOM 1396 C PHE A 90 -4.427 -23.200 19.275 1.00 22.40 C ATOM 1397 O PHE A 90 -3.520 -22.744 19.974 1.00 71.21 O ATOM 1398 CB PHE A 90 -6.296 -21.500 19.511 1.00 13.31 C ATOM 1399 CG PHE A 90 -5.425 -20.533 20.282 1.00 75.45 C ATOM 1400 CD1 PHE A 90 -5.490 -20.461 21.668 1.00 61.04 C ATOM 1401 CD2 PHE A 90 -4.550 -19.685 19.614 1.00 51.21 C ATOM 1402 CE1 PHE A 90 -4.700 -19.566 22.368 1.00 14.03 C ATOM 1403 CE2 PHE A 90 -3.758 -18.791 20.310 1.00 62.24 C ATOM 1404 CZ PHE A 90 -3.834 -18.731 21.687 1.00 23.45 C ATOM 0 H PHE A 90 -5.457 -23.302 21.682 1.00 44.23 H new ATOM 0 HA PHE A 90 -6.509 -23.566 18.949 1.00 45.41 H new ATOM 0 HB2 PHE A 90 -6.267 -21.229 18.456 1.00 13.31 H new ATOM 0 HB3 PHE A 90 -7.327 -21.380 19.843 1.00 13.31 H new ATOM 0 HD1 PHE A 90 -6.165 -21.111 22.205 1.00 61.04 H new ATOM 0 HD2 PHE A 90 -4.488 -19.725 18.537 1.00 51.21 H new ATOM 0 HE1 PHE A 90 -4.760 -19.520 23.445 1.00 14.03 H new ATOM 0 HE2 PHE A 90 -3.081 -18.140 19.777 1.00 62.24 H new ATOM 0 HZ PHE A 90 -3.217 -18.032 22.232 1.00 23.45 H new ATOM 1414 N SER A 91 -4.193 -23.917 18.179 1.00 44.22 N ATOM 1415 CA SER A 91 -2.833 -24.142 17.675 1.00 34.12 C ATOM 1416 C SER A 91 -2.276 -22.868 17.028 1.00 22.25 C ATOM 1417 O SER A 91 -2.536 -22.593 15.853 1.00 54.44 O ATOM 1418 CB SER A 91 -2.812 -25.296 16.660 1.00 23.11 C ATOM 1419 OG SER A 91 -3.247 -26.513 17.249 1.00 65.34 O ATOM 0 H SER A 91 -4.925 -24.354 17.620 1.00 44.22 H new ATOM 0 HA SER A 91 -2.202 -24.410 18.523 1.00 34.12 H new ATOM 0 HB2 SER A 91 -3.454 -25.050 15.814 1.00 23.11 H new ATOM 0 HB3 SER A 91 -1.802 -25.420 16.269 1.00 23.11 H new ATOM 0 HG SER A 91 -3.224 -27.227 16.579 1.00 65.34 H new ATOM 1425 N TYR A 92 -1.513 -22.094 17.799 1.00 44.11 N ATOM 1426 CA TYR A 92 -0.980 -20.803 17.336 1.00 43.03 C ATOM 1427 C TYR A 92 -0.163 -20.930 16.035 1.00 1.14 C ATOM 1428 O TYR A 92 -0.081 -19.985 15.252 1.00 72.12 O ATOM 1429 CB TYR A 92 -0.119 -20.152 18.434 1.00 61.43 C ATOM 1430 CG TYR A 92 1.149 -20.922 18.785 1.00 73.31 C ATOM 1431 CD1 TYR A 92 1.142 -21.919 19.759 1.00 25.34 C ATOM 1432 CD2 TYR A 92 2.356 -20.641 18.148 1.00 43.15 C ATOM 1433 CE1 TYR A 92 2.297 -22.609 20.082 1.00 20.14 C ATOM 1434 CE2 TYR A 92 3.510 -21.330 18.466 1.00 64.31 C ATOM 1435 CZ TYR A 92 3.477 -22.311 19.432 1.00 14.32 C ATOM 1436 OH TYR A 92 4.629 -22.997 19.748 1.00 42.41 O ATOM 0 H TYR A 92 -1.246 -22.336 18.753 1.00 44.11 H new ATOM 0 HA TYR A 92 -1.839 -20.168 17.119 1.00 43.03 H new ATOM 0 HB2 TYR A 92 0.158 -19.148 18.113 1.00 61.43 H new ATOM 0 HB3 TYR A 92 -0.723 -20.043 19.335 1.00 61.43 H new ATOM 0 HD1 TYR A 92 0.221 -22.157 20.270 1.00 25.34 H new ATOM 0 HD2 TYR A 92 2.390 -19.871 17.392 1.00 43.15 H new ATOM 0 HE1 TYR A 92 2.275 -23.378 20.840 1.00 20.14 H new ATOM 0 HE2 TYR A 92 4.435 -21.100 17.959 1.00 64.31 H new ATOM 0 HH TYR A 92 5.369 -22.665 19.198 1.00 42.41 H new ATOM 1446 N LYS A 93 0.439 -22.102 15.807 1.00 12.23 N ATOM 1447 CA LYS A 93 1.265 -22.320 14.610 1.00 3.41 C ATOM 1448 C LYS A 93 0.408 -22.427 13.333 1.00 43.13 C ATOM 1449 O LYS A 93 0.892 -22.175 12.229 1.00 42.02 O ATOM 1450 CB LYS A 93 2.178 -23.554 14.794 1.00 41.21 C ATOM 1451 CG LYS A 93 1.459 -24.893 15.009 1.00 12.11 C ATOM 1452 CD LYS A 93 1.065 -25.566 13.690 1.00 25.54 C ATOM 1453 CE LYS A 93 0.525 -26.978 13.901 1.00 54.22 C ATOM 1454 NZ LYS A 93 1.551 -27.893 14.468 1.00 74.34 N ATOM 0 H LYS A 93 0.372 -22.909 16.428 1.00 12.23 H new ATOM 0 HA LYS A 93 1.905 -21.447 14.483 1.00 3.41 H new ATOM 0 HB2 LYS A 93 2.817 -23.644 13.915 1.00 41.21 H new ATOM 0 HB3 LYS A 93 2.832 -23.374 15.647 1.00 41.21 H new ATOM 0 HG2 LYS A 93 2.106 -25.562 15.576 1.00 12.11 H new ATOM 0 HG3 LYS A 93 0.565 -24.729 15.611 1.00 12.11 H new ATOM 0 HD2 LYS A 93 0.310 -24.962 13.187 1.00 25.54 H new ATOM 0 HD3 LYS A 93 1.932 -25.605 13.031 1.00 25.54 H new ATOM 0 HE2 LYS A 93 -0.335 -26.940 14.570 1.00 54.22 H new ATOM 0 HE3 LYS A 93 0.172 -27.376 12.950 1.00 54.22 H new ATOM 0 HZ1 LYS A 93 1.235 -28.878 14.360 1.00 74.34 H new ATOM 0 HZ2 LYS A 93 2.451 -27.760 13.964 1.00 74.34 H new ATOM 0 HZ3 LYS A 93 1.685 -27.681 15.477 1.00 74.34 H new