USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 801 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 7 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 85 TYR OH : rot 150:sc= 0.584 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0974 X(o=-0.097,f=-0.24) USER MOD Single : A 16 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= -0.0104 (180deg=-0.139) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.992 K(o=-0.99,f=-9.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 149:sc= 1.09 (180deg=-0.685!) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 0.958 (180deg=0.795) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.12) USER MOD Single : A 55 HIS : no HD1:sc= -0.15 K(o=-0.15,f=-2.4) USER MOD Single : A 61 LYS NZ :NH3+ 142:sc= 1.13 (180deg=0.169) USER MOD Single : A 64 MET CE :methyl -129:sc= 0 (180deg=-0.0773) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.5!) USER MOD Single : A 75 THR OG1 : rot 74:sc= 0.356 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -153:sc= -0.218 (180deg=-1.75) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.067 X(o=-0.067,f=-0.067) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 91 N TYR A 7 2.653 -11.909 9.598 1.00 72.41 N ATOM 92 CA TYR A 7 2.079 -10.744 8.958 1.00 21.31 C ATOM 93 C TYR A 7 1.830 -10.977 7.476 1.00 43.02 C ATOM 94 O TYR A 7 2.755 -10.970 6.663 1.00 55.10 O ATOM 95 CB TYR A 7 2.995 -9.530 9.147 1.00 24.52 C ATOM 96 CG TYR A 7 2.981 -8.957 10.548 1.00 11.13 C ATOM 97 CD1 TYR A 7 3.598 -9.615 11.606 1.00 23.51 C ATOM 98 CD2 TYR A 7 2.355 -7.746 10.805 1.00 63.40 C ATOM 99 CE1 TYR A 7 3.585 -9.083 12.881 1.00 50.31 C ATOM 100 CE2 TYR A 7 2.338 -7.207 12.075 1.00 53.04 C ATOM 101 CZ TYR A 7 2.953 -7.878 13.109 1.00 45.10 C ATOM 102 OH TYR A 7 2.933 -7.338 14.373 1.00 54.33 O ATOM 0 HA TYR A 7 1.117 -10.552 9.432 1.00 21.31 H new ATOM 0 HB2 TYR A 7 4.016 -9.816 8.893 1.00 24.52 H new ATOM 0 HB3 TYR A 7 2.698 -8.751 8.445 1.00 24.52 H new ATOM 0 HD1 TYR A 7 4.095 -10.557 11.428 1.00 23.51 H new ATOM 0 HD2 TYR A 7 1.873 -7.216 9.997 1.00 63.40 H new ATOM 0 HE1 TYR A 7 4.066 -9.607 13.694 1.00 50.31 H new ATOM 0 HE2 TYR A 7 1.845 -6.264 12.258 1.00 53.04 H new ATOM 0 HH TYR A 7 2.448 -6.487 14.357 1.00 54.33 H new ATOM 112 N THR A 8 0.581 -11.221 7.137 1.00 41.01 N ATOM 113 CA THR A 8 0.149 -11.166 5.757 1.00 64.20 C ATOM 114 C THR A 8 0.070 -9.695 5.354 1.00 74.50 C ATOM 115 O THR A 8 -0.181 -8.846 6.210 1.00 32.41 O ATOM 116 CB THR A 8 -1.231 -11.834 5.601 1.00 2.05 C ATOM 117 OG1 THR A 8 -1.258 -13.060 6.341 1.00 0.44 O ATOM 118 CG2 THR A 8 -1.553 -12.115 4.142 1.00 43.30 C ATOM 0 H THR A 8 -0.155 -11.460 7.802 1.00 41.01 H new ATOM 0 HA THR A 8 0.853 -11.700 5.118 1.00 64.20 H new ATOM 0 HB THR A 8 -1.983 -11.147 5.988 1.00 2.05 H new ATOM 0 HG1 THR A 8 -2.137 -13.483 6.242 1.00 0.44 H new ATOM 0 HG21 THR A 8 -2.533 -12.586 4.070 1.00 43.30 H new ATOM 0 HG22 THR A 8 -1.558 -11.179 3.584 1.00 43.30 H new ATOM 0 HG23 THR A 8 -0.798 -12.782 3.725 1.00 43.30 H new ATOM 126 N VAL A 9 0.293 -9.375 4.084 1.00 55.21 N ATOM 127 CA VAL A 9 0.265 -7.977 3.650 1.00 23.34 C ATOM 128 C VAL A 9 -1.102 -7.351 3.942 1.00 74.42 C ATOM 129 O VAL A 9 -1.196 -6.187 4.332 1.00 2.32 O ATOM 130 CB VAL A 9 0.618 -7.825 2.149 1.00 41.23 C ATOM 131 CG1 VAL A 9 -0.414 -8.501 1.264 1.00 43.34 C ATOM 132 CG2 VAL A 9 0.769 -6.357 1.774 1.00 25.21 C ATOM 0 H VAL A 9 0.492 -10.050 3.345 1.00 55.21 H new ATOM 0 HA VAL A 9 1.028 -7.447 4.220 1.00 23.34 H new ATOM 0 HB VAL A 9 1.574 -8.322 1.984 1.00 41.23 H new ATOM 0 HG11 VAL A 9 -0.135 -8.375 0.218 1.00 43.34 H new ATOM 0 HG12 VAL A 9 -0.457 -9.564 1.502 1.00 43.34 H new ATOM 0 HG13 VAL A 9 -1.392 -8.051 1.436 1.00 43.34 H new ATOM 0 HG21 VAL A 9 1.017 -6.275 0.716 1.00 25.21 H new ATOM 0 HG22 VAL A 9 -0.167 -5.834 1.969 1.00 25.21 H new ATOM 0 HG23 VAL A 9 1.565 -5.910 2.369 1.00 25.21 H new ATOM 142 N ALA A 10 -2.154 -8.149 3.793 1.00 61.11 N ATOM 143 CA ALA A 10 -3.505 -7.701 4.099 1.00 60.25 C ATOM 144 C ALA A 10 -3.690 -7.543 5.603 1.00 72.44 C ATOM 145 O ALA A 10 -4.360 -6.621 6.067 1.00 2.10 O ATOM 146 CB ALA A 10 -4.525 -8.680 3.540 1.00 10.44 C ATOM 0 H ALA A 10 -2.095 -9.112 3.461 1.00 61.11 H new ATOM 0 HA ALA A 10 -3.660 -6.729 3.630 1.00 60.25 H new ATOM 0 HB1 ALA A 10 -5.531 -8.332 3.776 1.00 10.44 H new ATOM 0 HB2 ALA A 10 -4.409 -8.748 2.458 1.00 10.44 H new ATOM 0 HB3 ALA A 10 -4.367 -9.663 3.984 1.00 10.44 H new ATOM 152 N GLN A 11 -3.076 -8.445 6.358 1.00 61.12 N ATOM 153 CA GLN A 11 -3.145 -8.414 7.814 1.00 40.03 C ATOM 154 C GLN A 11 -2.486 -7.141 8.333 1.00 40.03 C ATOM 155 O GLN A 11 -3.009 -6.466 9.221 1.00 41.31 O ATOM 156 CB GLN A 11 -2.444 -9.646 8.392 1.00 12.15 C ATOM 157 CG GLN A 11 -2.671 -9.849 9.880 1.00 4.40 C ATOM 158 CD GLN A 11 -4.126 -10.115 10.210 1.00 51.21 C ATOM 159 OE1 GLN A 11 -4.892 -9.193 10.478 1.00 62.11 O ATOM 160 NE2 GLN A 11 -4.519 -11.378 10.182 1.00 71.11 N ATOM 0 H GLN A 11 -2.520 -9.213 5.982 1.00 61.12 H new ATOM 0 HA GLN A 11 -4.189 -8.424 8.127 1.00 40.03 H new ATOM 0 HB2 GLN A 11 -2.790 -10.531 7.859 1.00 12.15 H new ATOM 0 HB3 GLN A 11 -1.373 -9.561 8.207 1.00 12.15 H new ATOM 0 HG2 GLN A 11 -2.064 -10.685 10.227 1.00 4.40 H new ATOM 0 HG3 GLN A 11 -2.334 -8.964 10.420 1.00 4.40 H new ATOM 0 HE21 GLN A 11 -3.851 -12.115 9.955 1.00 71.11 H new ATOM 0 HE22 GLN A 11 -5.490 -11.615 10.388 1.00 71.11 H new ATOM 169 N LEU A 12 -1.340 -6.815 7.745 1.00 14.25 N ATOM 170 CA LEU A 12 -0.602 -5.612 8.095 1.00 54.24 C ATOM 171 C LEU A 12 -1.417 -4.367 7.752 1.00 31.55 C ATOM 172 O LEU A 12 -1.426 -3.395 8.505 1.00 52.32 O ATOM 173 CB LEU A 12 0.737 -5.587 7.353 1.00 64.33 C ATOM 174 CG LEU A 12 1.626 -4.374 7.637 1.00 75.41 C ATOM 175 CD1 LEU A 12 2.042 -4.346 9.098 1.00 52.44 C ATOM 176 CD2 LEU A 12 2.851 -4.395 6.735 1.00 72.50 C ATOM 0 H LEU A 12 -0.900 -7.376 7.016 1.00 14.25 H new ATOM 0 HA LEU A 12 -0.414 -5.617 9.169 1.00 54.24 H new ATOM 0 HB2 LEU A 12 1.291 -6.490 7.610 1.00 64.33 H new ATOM 0 HB3 LEU A 12 0.540 -5.628 6.282 1.00 64.33 H new ATOM 0 HG LEU A 12 1.054 -3.470 7.427 1.00 75.41 H new ATOM 0 HD11 LEU A 12 2.673 -3.476 9.280 1.00 52.44 H new ATOM 0 HD12 LEU A 12 1.154 -4.288 9.728 1.00 52.44 H new ATOM 0 HD13 LEU A 12 2.597 -5.253 9.336 1.00 52.44 H new ATOM 0 HD21 LEU A 12 3.474 -3.527 6.948 1.00 72.50 H new ATOM 0 HD22 LEU A 12 3.422 -5.305 6.918 1.00 72.50 H new ATOM 0 HD23 LEU A 12 2.535 -4.368 5.692 1.00 72.50 H new ATOM 188 N ALA A 13 -2.106 -4.412 6.618 1.00 4.13 N ATOM 189 CA ALA A 13 -2.931 -3.293 6.173 1.00 14.40 C ATOM 190 C ALA A 13 -4.094 -3.045 7.131 1.00 14.33 C ATOM 191 O ALA A 13 -4.459 -1.898 7.393 1.00 61.12 O ATOM 192 CB ALA A 13 -3.446 -3.543 4.763 1.00 40.02 C ATOM 0 H ALA A 13 -2.110 -5.214 5.987 1.00 4.13 H new ATOM 0 HA ALA A 13 -2.308 -2.398 6.166 1.00 14.40 H new ATOM 0 HB1 ALA A 13 -4.060 -2.700 4.445 1.00 40.02 H new ATOM 0 HB2 ALA A 13 -2.602 -3.655 4.082 1.00 40.02 H new ATOM 0 HB3 ALA A 13 -4.046 -4.453 4.751 1.00 40.02 H new ATOM 198 N ASP A 14 -4.663 -4.120 7.663 1.00 12.42 N ATOM 199 CA ASP A 14 -5.786 -4.009 8.591 1.00 35.22 C ATOM 200 C ASP A 14 -5.297 -3.515 9.950 1.00 42.55 C ATOM 201 O ASP A 14 -5.956 -2.709 10.607 1.00 72.42 O ATOM 202 CB ASP A 14 -6.499 -5.356 8.732 1.00 3.21 C ATOM 203 CG ASP A 14 -7.840 -5.232 9.430 1.00 52.22 C ATOM 204 OD1 ASP A 14 -8.792 -4.716 8.810 1.00 43.23 O ATOM 205 OD2 ASP A 14 -7.956 -5.674 10.588 1.00 43.34 O ATOM 0 H ASP A 14 -4.368 -5.077 7.470 1.00 12.42 H new ATOM 0 HA ASP A 14 -6.498 -3.286 8.194 1.00 35.22 H new ATOM 0 HB2 ASP A 14 -6.646 -5.791 7.743 1.00 3.21 H new ATOM 0 HB3 ASP A 14 -5.864 -6.043 9.291 1.00 3.21 H new ATOM 210 N GLU A 15 -4.123 -3.996 10.353 1.00 43.44 N ATOM 211 CA GLU A 15 -3.462 -3.518 11.565 1.00 53.44 C ATOM 212 C GLU A 15 -3.166 -2.026 11.437 1.00 52.31 C ATOM 213 O GLU A 15 -3.433 -1.240 12.349 1.00 3.54 O ATOM 214 CB GLU A 15 -2.161 -4.302 11.790 1.00 24.30 C ATOM 215 CG GLU A 15 -1.332 -3.831 12.981 1.00 3.54 C ATOM 216 CD GLU A 15 -2.033 -4.013 14.311 1.00 74.22 C ATOM 217 OE1 GLU A 15 -2.800 -4.985 14.461 1.00 52.54 O ATOM 218 OE2 GLU A 15 -1.796 -3.198 15.230 1.00 25.00 O ATOM 0 H GLU A 15 -3.607 -4.721 9.854 1.00 43.44 H new ATOM 0 HA GLU A 15 -4.119 -3.674 12.421 1.00 53.44 H new ATOM 0 HB2 GLU A 15 -2.406 -5.355 11.929 1.00 24.30 H new ATOM 0 HB3 GLU A 15 -1.551 -4.233 10.890 1.00 24.30 H new ATOM 0 HG2 GLU A 15 -0.390 -4.378 12.997 1.00 3.54 H new ATOM 0 HG3 GLU A 15 -1.086 -2.777 12.849 1.00 3.54 H new ATOM 225 N TYR A 16 -2.629 -1.649 10.280 1.00 62.31 N ATOM 226 CA TYR A 16 -2.332 -0.259 9.968 1.00 31.12 C ATOM 227 C TYR A 16 -3.589 0.605 10.096 1.00 31.04 C ATOM 228 O TYR A 16 -3.538 1.721 10.623 1.00 53.44 O ATOM 229 CB TYR A 16 -1.758 -0.166 8.548 1.00 60.32 C ATOM 230 CG TYR A 16 -1.345 1.225 8.128 1.00 71.23 C ATOM 231 CD1 TYR A 16 -0.090 1.723 8.450 1.00 75.13 C ATOM 232 CD2 TYR A 16 -2.208 2.039 7.408 1.00 42.23 C ATOM 233 CE1 TYR A 16 0.292 2.993 8.065 1.00 52.41 C ATOM 234 CE2 TYR A 16 -1.834 3.307 7.022 1.00 20.14 C ATOM 235 CZ TYR A 16 -0.585 3.782 7.351 1.00 0.45 C ATOM 236 OH TYR A 16 -0.218 5.050 6.969 1.00 22.42 O ATOM 0 H TYR A 16 -2.388 -2.301 9.533 1.00 62.31 H new ATOM 0 HA TYR A 16 -1.595 0.115 10.678 1.00 31.12 H new ATOM 0 HB2 TYR A 16 -0.893 -0.825 8.476 1.00 60.32 H new ATOM 0 HB3 TYR A 16 -2.502 -0.538 7.844 1.00 60.32 H new ATOM 0 HD1 TYR A 16 0.598 1.108 9.010 1.00 75.13 H new ATOM 0 HD2 TYR A 16 -3.189 1.672 7.146 1.00 42.23 H new ATOM 0 HE1 TYR A 16 1.272 3.366 8.322 1.00 52.41 H new ATOM 0 HE2 TYR A 16 -2.519 3.927 6.463 1.00 20.14 H new ATOM 0 HH TYR A 16 -0.953 5.468 6.473 1.00 22.42 H new ATOM 246 N PHE A 17 -4.715 0.073 9.630 1.00 15.51 N ATOM 247 CA PHE A 17 -5.999 0.765 9.714 1.00 2.41 C ATOM 248 C PHE A 17 -6.344 1.087 11.167 1.00 11.52 C ATOM 249 O PHE A 17 -6.740 2.207 11.492 1.00 13.41 O ATOM 250 CB PHE A 17 -7.101 -0.099 9.083 1.00 21.33 C ATOM 251 CG PHE A 17 -8.450 0.563 9.025 1.00 61.12 C ATOM 252 CD1 PHE A 17 -9.338 0.456 10.087 1.00 53.14 C ATOM 253 CD2 PHE A 17 -8.835 1.280 7.906 1.00 15.43 C ATOM 254 CE1 PHE A 17 -10.581 1.054 10.031 1.00 20.34 C ATOM 255 CE2 PHE A 17 -10.078 1.881 7.845 1.00 24.05 C ATOM 256 CZ PHE A 17 -10.952 1.769 8.908 1.00 34.21 C ATOM 0 H PHE A 17 -4.765 -0.844 9.186 1.00 15.51 H new ATOM 0 HA PHE A 17 -5.926 1.704 9.165 1.00 2.41 H new ATOM 0 HB2 PHE A 17 -6.799 -0.371 8.072 1.00 21.33 H new ATOM 0 HB3 PHE A 17 -7.188 -1.026 9.649 1.00 21.33 H new ATOM 0 HD1 PHE A 17 -9.053 -0.101 10.967 1.00 53.14 H new ATOM 0 HD2 PHE A 17 -8.156 1.371 7.071 1.00 15.43 H new ATOM 0 HE1 PHE A 17 -11.263 0.963 10.864 1.00 20.34 H new ATOM 0 HE2 PHE A 17 -10.366 2.438 6.966 1.00 24.05 H new ATOM 0 HZ PHE A 17 -11.923 2.239 8.862 1.00 34.21 H new ATOM 266 N GLU A 18 -6.156 0.107 12.037 1.00 50.55 N ATOM 267 CA GLU A 18 -6.479 0.250 13.451 1.00 5.30 C ATOM 268 C GLU A 18 -5.565 1.272 14.134 1.00 71.04 C ATOM 269 O GLU A 18 -5.931 1.873 15.145 1.00 12.22 O ATOM 270 CB GLU A 18 -6.360 -1.121 14.135 1.00 71.23 C ATOM 271 CG GLU A 18 -6.722 -1.127 15.613 1.00 43.52 C ATOM 272 CD GLU A 18 -8.137 -0.653 15.878 1.00 31.45 C ATOM 273 OE1 GLU A 18 -9.058 -1.064 15.145 1.00 74.00 O ATOM 274 OE2 GLU A 18 -8.333 0.124 16.836 1.00 24.32 O ATOM 0 H GLU A 18 -5.777 -0.806 11.786 1.00 50.55 H new ATOM 0 HA GLU A 18 -7.501 0.619 13.541 1.00 5.30 H new ATOM 0 HB2 GLU A 18 -7.004 -1.829 13.614 1.00 71.23 H new ATOM 0 HB3 GLU A 18 -5.337 -1.480 14.024 1.00 71.23 H new ATOM 0 HG2 GLU A 18 -6.603 -2.137 16.006 1.00 43.52 H new ATOM 0 HG3 GLU A 18 -6.024 -0.489 16.155 1.00 43.52 H new ATOM 281 N ARG A 19 -4.386 1.489 13.569 1.00 25.12 N ATOM 282 CA ARG A 19 -3.376 2.317 14.219 1.00 54.35 C ATOM 283 C ARG A 19 -3.334 3.737 13.667 1.00 22.32 C ATOM 284 O ARG A 19 -3.164 4.696 14.419 1.00 33.13 O ATOM 285 CB ARG A 19 -1.998 1.669 14.072 1.00 21.41 C ATOM 286 CG ARG A 19 -1.932 0.276 14.666 1.00 22.03 C ATOM 287 CD ARG A 19 -2.442 0.278 16.091 1.00 71.11 C ATOM 288 NE ARG A 19 -2.420 -1.053 16.684 1.00 30.10 N ATOM 289 CZ ARG A 19 -2.729 -1.308 17.953 1.00 15.50 C ATOM 290 NH1 ARG A 19 -3.076 -0.321 18.765 1.00 40.25 N ATOM 291 NH2 ARG A 19 -2.696 -2.551 18.409 1.00 40.32 N ATOM 0 H ARG A 19 -4.104 1.106 12.666 1.00 25.12 H new ATOM 0 HA ARG A 19 -3.651 2.386 15.272 1.00 54.35 H new ATOM 0 HB2 ARG A 19 -1.737 1.620 13.015 1.00 21.41 H new ATOM 0 HB3 ARG A 19 -1.252 2.300 14.556 1.00 21.41 H new ATOM 0 HG2 ARG A 19 -2.526 -0.411 14.063 1.00 22.03 H new ATOM 0 HG3 ARG A 19 -0.904 -0.087 14.643 1.00 22.03 H new ATOM 0 HD2 ARG A 19 -1.832 0.952 16.693 1.00 71.11 H new ATOM 0 HD3 ARG A 19 -3.460 0.666 16.110 1.00 71.11 H new ATOM 0 HE ARG A 19 -2.151 -1.837 16.090 1.00 30.10 H new ATOM 0 HH11 ARG A 19 -3.107 0.638 18.418 1.00 40.25 H new ATOM 0 HH12 ARG A 19 -3.312 -0.520 19.737 1.00 40.25 H new ATOM 0 HH21 ARG A 19 -2.433 -3.316 17.787 1.00 40.32 H new ATOM 0 HH22 ARG A 19 -2.933 -2.744 19.382 1.00 40.32 H new ATOM 305 N MET A 20 -3.476 3.873 12.359 1.00 24.24 N ATOM 306 CA MET A 20 -3.300 5.175 11.713 1.00 53.51 C ATOM 307 C MET A 20 -4.621 5.783 11.243 1.00 5.44 C ATOM 308 O MET A 20 -4.685 6.975 10.940 1.00 1.33 O ATOM 309 CB MET A 20 -2.341 5.054 10.526 1.00 12.52 C ATOM 310 CG MET A 20 -0.975 4.503 10.899 1.00 23.13 C ATOM 311 SD MET A 20 -0.111 5.523 12.107 1.00 30.21 S ATOM 312 CE MET A 20 1.432 4.624 12.248 1.00 12.24 C ATOM 0 H MET A 20 -3.710 3.110 11.724 1.00 24.24 H new ATOM 0 HA MET A 20 -2.880 5.843 12.465 1.00 53.51 H new ATOM 0 HB2 MET A 20 -2.790 4.408 9.772 1.00 12.52 H new ATOM 0 HB3 MET A 20 -2.215 6.036 10.070 1.00 12.52 H new ATOM 0 HG2 MET A 20 -1.092 3.496 11.299 1.00 23.13 H new ATOM 0 HG3 MET A 20 -0.365 4.419 10.000 1.00 23.13 H new ATOM 0 HE1 MET A 20 2.083 5.128 12.962 1.00 12.24 H new ATOM 0 HE2 MET A 20 1.232 3.610 12.593 1.00 12.24 H new ATOM 0 HE3 MET A 20 1.921 4.586 11.275 1.00 12.24 H new ATOM 322 N ILE A 21 -5.666 4.967 11.173 1.00 30.34 N ATOM 323 CA ILE A 21 -6.969 5.435 10.704 1.00 70.43 C ATOM 324 C ILE A 21 -7.925 5.607 11.880 1.00 5.33 C ATOM 325 O ILE A 21 -8.534 6.663 12.044 1.00 73.21 O ATOM 326 CB ILE A 21 -7.596 4.473 9.659 1.00 31.01 C ATOM 327 CG1 ILE A 21 -6.811 4.494 8.341 1.00 54.30 C ATOM 328 CG2 ILE A 21 -9.051 4.831 9.400 1.00 12.21 C ATOM 329 CD1 ILE A 21 -5.472 3.791 8.404 1.00 51.54 C ATOM 0 H ILE A 21 -5.639 3.981 11.433 1.00 30.34 H new ATOM 0 HA ILE A 21 -6.807 6.397 10.217 1.00 70.43 H new ATOM 0 HB ILE A 21 -7.548 3.466 10.072 1.00 31.01 H new ATOM 0 HG12 ILE A 21 -7.417 4.029 7.563 1.00 54.30 H new ATOM 0 HG13 ILE A 21 -6.651 5.530 8.043 1.00 54.30 H new ATOM 0 HG21 ILE A 21 -9.469 4.144 8.665 1.00 12.21 H new ATOM 0 HG22 ILE A 21 -9.615 4.756 10.330 1.00 12.21 H new ATOM 0 HG23 ILE A 21 -9.113 5.851 9.020 1.00 12.21 H new ATOM 0 HD11 ILE A 21 -4.983 3.852 7.432 1.00 51.54 H new ATOM 0 HD12 ILE A 21 -4.845 4.269 9.157 1.00 51.54 H new ATOM 0 HD13 ILE A 21 -5.623 2.744 8.669 1.00 51.54 H new ATOM 341 N ALA A 22 -8.041 4.563 12.695 1.00 10.24 N ATOM 342 CA ALA A 22 -8.912 4.589 13.866 1.00 62.32 C ATOM 343 C ALA A 22 -8.519 5.720 14.811 1.00 72.23 C ATOM 344 O ALA A 22 -7.458 5.682 15.435 1.00 31.25 O ATOM 345 CB ALA A 22 -8.872 3.249 14.583 1.00 13.33 C ATOM 0 H ALA A 22 -7.540 3.684 12.565 1.00 10.24 H new ATOM 0 HA ALA A 22 -9.933 4.772 13.531 1.00 62.32 H new ATOM 0 HB1 ALA A 22 -9.526 3.283 15.454 1.00 13.33 H new ATOM 0 HB2 ALA A 22 -9.209 2.464 13.906 1.00 13.33 H new ATOM 0 HB3 ALA A 22 -7.852 3.038 14.903 1.00 13.33 H new ATOM 351 N GLY A 23 -9.379 6.723 14.891 1.00 1.25 N ATOM 352 CA GLY A 23 -9.117 7.893 15.707 1.00 22.05 C ATOM 353 C GLY A 23 -9.740 9.132 15.096 1.00 45.40 C ATOM 354 O GLY A 23 -10.838 9.541 15.479 1.00 63.03 O ATOM 0 H GLY A 23 -10.270 6.748 14.396 1.00 1.25 H new ATOM 0 HA2 GLY A 23 -9.515 7.738 16.710 1.00 22.05 H new ATOM 0 HA3 GLY A 23 -8.041 8.036 15.810 1.00 22.05 H new ATOM 358 N ARG A 24 -9.048 9.720 14.133 1.00 61.13 N ATOM 359 CA ARG A 24 -9.572 10.852 13.385 1.00 2.42 C ATOM 360 C ARG A 24 -9.206 10.685 11.915 1.00 2.45 C ATOM 361 O ARG A 24 -8.095 11.013 11.496 1.00 25.42 O ATOM 362 CB ARG A 24 -9.023 12.171 13.955 1.00 72.42 C ATOM 363 CG ARG A 24 -9.706 13.427 13.427 1.00 24.10 C ATOM 364 CD ARG A 24 -9.179 13.838 12.060 1.00 43.42 C ATOM 365 NE ARG A 24 -9.893 14.992 11.516 1.00 5.12 N ATOM 366 CZ ARG A 24 -9.882 15.338 10.229 1.00 3.31 C ATOM 367 NH1 ARG A 24 -9.179 14.631 9.352 1.00 11.50 N ATOM 368 NH2 ARG A 24 -10.575 16.396 9.827 1.00 43.23 N ATOM 0 H ARG A 24 -8.113 9.428 13.849 1.00 61.13 H new ATOM 0 HA ARG A 24 -10.658 10.886 13.475 1.00 2.42 H new ATOM 0 HB2 ARG A 24 -9.120 12.150 15.040 1.00 72.42 H new ATOM 0 HB3 ARG A 24 -7.958 12.232 13.732 1.00 72.42 H new ATOM 0 HG2 ARG A 24 -10.780 13.254 13.363 1.00 24.10 H new ATOM 0 HG3 ARG A 24 -9.556 14.244 14.133 1.00 24.10 H new ATOM 0 HD2 ARG A 24 -8.118 14.073 12.138 1.00 43.42 H new ATOM 0 HD3 ARG A 24 -9.270 12.999 11.370 1.00 43.42 H new ATOM 0 HE ARG A 24 -10.433 15.568 12.162 1.00 5.12 H new ATOM 0 HH11 ARG A 24 -8.645 13.820 9.662 1.00 11.50 H new ATOM 0 HH12 ARG A 24 -9.173 14.899 8.368 1.00 11.50 H new ATOM 0 HH21 ARG A 24 -11.113 16.940 10.502 1.00 43.23 H new ATOM 0 HH22 ARG A 24 -10.570 16.665 8.843 1.00 43.23 H new ATOM 382 N TRP A 25 -10.137 10.150 11.139 1.00 61.14 N ATOM 383 CA TRP A 25 -9.871 9.849 9.739 1.00 61.02 C ATOM 384 C TRP A 25 -10.914 10.490 8.820 1.00 35.24 C ATOM 385 O TRP A 25 -10.556 11.123 7.829 1.00 15.24 O ATOM 386 CB TRP A 25 -9.831 8.325 9.529 1.00 63.11 C ATOM 387 CG TRP A 25 -11.145 7.638 9.766 1.00 31.01 C ATOM 388 CD1 TRP A 25 -11.972 7.138 8.811 1.00 73.32 C ATOM 389 CD2 TRP A 25 -11.795 7.392 11.026 1.00 74.14 C ATOM 390 NE1 TRP A 25 -13.094 6.601 9.391 1.00 21.24 N ATOM 391 CE2 TRP A 25 -13.008 6.742 10.746 1.00 5.43 C ATOM 392 CE3 TRP A 25 -11.468 7.655 12.357 1.00 33.20 C ATOM 393 CZ2 TRP A 25 -13.897 6.354 11.745 1.00 51.35 C ATOM 394 CZ3 TRP A 25 -12.351 7.271 13.350 1.00 42.33 C ATOM 395 CH2 TRP A 25 -13.552 6.627 13.039 1.00 4.53 C ATOM 0 H TRP A 25 -11.079 9.916 11.452 1.00 61.14 H new ATOM 0 HA TRP A 25 -8.900 10.272 9.479 1.00 61.02 H new ATOM 0 HB2 TRP A 25 -9.504 8.118 8.510 1.00 63.11 H new ATOM 0 HB3 TRP A 25 -9.084 7.897 10.197 1.00 63.11 H new ATOM 0 HD1 TRP A 25 -11.775 7.160 7.749 1.00 73.32 H new ATOM 0 HE1 TRP A 25 -13.868 6.166 8.890 1.00 21.24 H new ATOM 0 HE3 TRP A 25 -10.541 8.150 12.607 1.00 33.20 H new ATOM 0 HZ2 TRP A 25 -14.825 5.856 11.506 1.00 51.35 H new ATOM 0 HZ3 TRP A 25 -12.108 7.472 14.383 1.00 42.33 H new ATOM 0 HH2 TRP A 25 -14.221 6.339 13.837 1.00 4.53 H new ATOM 406 N LYS A 26 -12.196 10.342 9.185 1.00 0.53 N ATOM 407 CA LYS A 26 -13.323 10.829 8.377 1.00 52.15 C ATOM 408 C LYS A 26 -13.442 10.054 7.059 1.00 52.51 C ATOM 409 O LYS A 26 -12.478 9.937 6.304 1.00 3.42 O ATOM 410 CB LYS A 26 -13.210 12.335 8.108 1.00 22.40 C ATOM 411 CG LYS A 26 -13.218 13.187 9.372 1.00 54.52 C ATOM 412 CD LYS A 26 -14.508 13.021 10.161 1.00 52.51 C ATOM 413 CE LYS A 26 -15.718 13.483 9.363 1.00 55.23 C ATOM 414 NZ LYS A 26 -15.667 14.937 9.054 1.00 32.11 N ATOM 0 H LYS A 26 -12.480 9.881 10.049 1.00 0.53 H new ATOM 0 HA LYS A 26 -14.231 10.656 8.954 1.00 52.15 H new ATOM 0 HB2 LYS A 26 -12.290 12.528 7.556 1.00 22.40 H new ATOM 0 HB3 LYS A 26 -14.036 12.643 7.468 1.00 22.40 H new ATOM 0 HG2 LYS A 26 -12.371 12.912 10.000 1.00 54.52 H new ATOM 0 HG3 LYS A 26 -13.089 14.236 9.104 1.00 54.52 H new ATOM 0 HD2 LYS A 26 -14.633 11.974 10.439 1.00 52.51 H new ATOM 0 HD3 LYS A 26 -14.444 13.591 11.088 1.00 52.51 H new ATOM 0 HE2 LYS A 26 -15.775 12.918 8.433 1.00 55.23 H new ATOM 0 HE3 LYS A 26 -16.626 13.265 9.925 1.00 55.23 H new ATOM 0 HZ1 LYS A 26 -16.581 15.241 8.662 1.00 32.11 H new ATOM 0 HZ2 LYS A 26 -15.469 15.470 9.925 1.00 32.11 H new ATOM 0 HZ3 LYS A 26 -14.915 15.118 8.359 1.00 32.11 H new ATOM 428 N HIS A 27 -14.639 9.532 6.795 1.00 24.41 N ATOM 429 CA HIS A 27 -14.915 8.733 5.594 1.00 41.21 C ATOM 430 C HIS A 27 -14.063 7.464 5.575 1.00 75.14 C ATOM 431 O HIS A 27 -13.032 7.406 4.903 1.00 34.40 O ATOM 432 CB HIS A 27 -14.679 9.538 4.305 1.00 44.25 C ATOM 433 CG HIS A 27 -15.612 10.696 4.120 1.00 32.24 C ATOM 434 ND1 HIS A 27 -16.855 10.571 3.542 1.00 64.14 N ATOM 435 CD2 HIS A 27 -15.474 12.006 4.428 1.00 33.11 C ATOM 436 CE1 HIS A 27 -17.437 11.754 3.497 1.00 75.02 C ATOM 437 NE2 HIS A 27 -16.621 12.642 4.028 1.00 11.32 N ATOM 0 H HIS A 27 -15.447 9.649 7.406 1.00 24.41 H new ATOM 0 HA HIS A 27 -15.968 8.455 5.632 1.00 41.21 H new ATOM 0 HB2 HIS A 27 -13.654 9.909 4.305 1.00 44.25 H new ATOM 0 HB3 HIS A 27 -14.776 8.869 3.450 1.00 44.25 H new ATOM 0 HD2 HIS A 27 -14.619 12.466 4.901 1.00 33.11 H new ATOM 0 HE1 HIS A 27 -18.417 11.960 3.093 1.00 75.02 H new ATOM 0 HE2 HIS A 27 -16.811 13.639 4.126 1.00 11.32 H new ATOM 446 N PRO A 28 -14.487 6.428 6.317 1.00 15.40 N ATOM 447 CA PRO A 28 -13.736 5.173 6.418 1.00 60.31 C ATOM 448 C PRO A 28 -13.731 4.383 5.109 1.00 54.42 C ATOM 449 O PRO A 28 -12.706 3.841 4.702 1.00 15.52 O ATOM 450 CB PRO A 28 -14.478 4.392 7.507 1.00 43.25 C ATOM 451 CG PRO A 28 -15.857 4.962 7.526 1.00 41.13 C ATOM 452 CD PRO A 28 -15.727 6.404 7.118 1.00 33.00 C ATOM 0 HA PRO A 28 -12.685 5.353 6.645 1.00 60.31 H new ATOM 0 HB2 PRO A 28 -14.496 3.325 7.284 1.00 43.25 H new ATOM 0 HB3 PRO A 28 -13.991 4.507 8.475 1.00 43.25 H new ATOM 0 HG2 PRO A 28 -16.510 4.422 6.840 1.00 41.13 H new ATOM 0 HG3 PRO A 28 -16.298 4.878 8.519 1.00 41.13 H new ATOM 0 HD2 PRO A 28 -16.587 6.735 6.536 1.00 33.00 H new ATOM 0 HD3 PRO A 28 -15.657 7.061 7.985 1.00 33.00 H new ATOM 460 N ASN A 29 -14.886 4.333 4.453 1.00 22.40 N ATOM 461 CA ASN A 29 -15.053 3.561 3.221 1.00 11.22 C ATOM 462 C ASN A 29 -14.168 4.081 2.091 1.00 32.42 C ATOM 463 O ASN A 29 -13.589 3.295 1.341 1.00 10.44 O ATOM 464 CB ASN A 29 -16.528 3.550 2.780 1.00 1.12 C ATOM 465 CG ASN A 29 -17.213 4.907 2.891 1.00 70.14 C ATOM 466 OD1 ASN A 29 -16.574 5.957 2.822 1.00 64.31 O ATOM 467 ND2 ASN A 29 -18.524 4.895 3.074 1.00 2.40 N ATOM 0 H ASN A 29 -15.729 4.822 4.755 1.00 22.40 H new ATOM 0 HA ASN A 29 -14.740 2.540 3.440 1.00 11.22 H new ATOM 0 HB2 ASN A 29 -16.586 3.207 1.747 1.00 1.12 H new ATOM 0 HB3 ASN A 29 -17.074 2.827 3.387 1.00 1.12 H new ATOM 0 HD21 ASN A 29 -19.035 5.774 3.162 1.00 2.40 H new ATOM 0 HD22 ASN A 29 -19.023 4.007 3.127 1.00 2.40 H new ATOM 474 N ILE A 30 -14.058 5.396 1.980 1.00 21.41 N ATOM 475 CA ILE A 30 -13.266 6.012 0.922 1.00 2.31 C ATOM 476 C ILE A 30 -11.796 5.618 1.040 1.00 23.42 C ATOM 477 O ILE A 30 -11.187 5.150 0.076 1.00 5.15 O ATOM 478 CB ILE A 30 -13.390 7.554 0.948 1.00 34.44 C ATOM 479 CG1 ILE A 30 -14.856 7.975 0.798 1.00 52.44 C ATOM 480 CG2 ILE A 30 -12.541 8.183 -0.149 1.00 33.44 C ATOM 481 CD1 ILE A 30 -15.503 7.499 -0.486 1.00 5.10 C ATOM 0 H ILE A 30 -14.508 6.060 2.610 1.00 21.41 H new ATOM 0 HA ILE A 30 -13.659 5.646 -0.027 1.00 2.31 H new ATOM 0 HB ILE A 30 -13.022 7.910 1.910 1.00 34.44 H new ATOM 0 HG12 ILE A 30 -15.423 7.588 1.644 1.00 52.44 H new ATOM 0 HG13 ILE A 30 -14.918 9.062 0.843 1.00 52.44 H new ATOM 0 HG21 ILE A 30 -12.644 9.268 -0.112 1.00 33.44 H new ATOM 0 HG22 ILE A 30 -11.496 7.912 -0.000 1.00 33.44 H new ATOM 0 HG23 ILE A 30 -12.875 7.820 -1.121 1.00 33.44 H new ATOM 0 HD11 ILE A 30 -16.539 7.837 -0.518 1.00 5.10 H new ATOM 0 HD12 ILE A 30 -14.962 7.907 -1.339 1.00 5.10 H new ATOM 0 HD13 ILE A 30 -15.475 6.410 -0.526 1.00 5.10 H new ATOM 493 N VAL A 31 -11.235 5.782 2.230 1.00 24.53 N ATOM 494 CA VAL A 31 -9.831 5.473 2.449 1.00 50.30 C ATOM 495 C VAL A 31 -9.591 3.961 2.430 1.00 44.10 C ATOM 496 O VAL A 31 -8.538 3.495 1.994 1.00 11.15 O ATOM 497 CB VAL A 31 -9.310 6.089 3.771 1.00 41.41 C ATOM 498 CG1 VAL A 31 -10.001 5.480 4.982 1.00 23.14 C ATOM 499 CG2 VAL A 31 -7.802 5.935 3.876 1.00 4.44 C ATOM 0 H VAL A 31 -11.728 6.126 3.054 1.00 24.53 H new ATOM 0 HA VAL A 31 -9.270 5.921 1.629 1.00 50.30 H new ATOM 0 HB VAL A 31 -9.549 7.152 3.757 1.00 41.41 H new ATOM 0 HG11 VAL A 31 -9.610 5.936 5.892 1.00 23.14 H new ATOM 0 HG12 VAL A 31 -11.074 5.660 4.918 1.00 23.14 H new ATOM 0 HG13 VAL A 31 -9.814 4.406 5.006 1.00 23.14 H new ATOM 0 HG21 VAL A 31 -7.456 6.374 4.812 1.00 4.44 H new ATOM 0 HG22 VAL A 31 -7.542 4.877 3.854 1.00 4.44 H new ATOM 0 HG23 VAL A 31 -7.325 6.444 3.038 1.00 4.44 H new ATOM 509 N ARG A 32 -10.584 3.191 2.873 1.00 33.41 N ATOM 510 CA ARG A 32 -10.465 1.737 2.896 1.00 13.34 C ATOM 511 C ARG A 32 -10.505 1.178 1.478 1.00 53.31 C ATOM 512 O ARG A 32 -9.904 0.143 1.193 1.00 63.54 O ATOM 513 CB ARG A 32 -11.579 1.101 3.733 1.00 14.13 C ATOM 514 CG ARG A 32 -11.311 -0.358 4.071 1.00 22.23 C ATOM 515 CD ARG A 32 -10.111 -0.489 4.991 1.00 43.11 C ATOM 516 NE ARG A 32 -9.652 -1.871 5.125 1.00 44.24 N ATOM 517 CZ ARG A 32 -9.581 -2.522 6.283 1.00 55.31 C ATOM 518 NH1 ARG A 32 -10.105 -1.991 7.382 1.00 74.02 N ATOM 519 NH2 ARG A 32 -9.033 -3.728 6.326 1.00 14.41 N ATOM 0 H ARG A 32 -11.474 3.549 3.219 1.00 33.41 H new ATOM 0 HA ARG A 32 -9.507 1.491 3.354 1.00 13.34 H new ATOM 0 HB2 ARG A 32 -11.699 1.666 4.657 1.00 14.13 H new ATOM 0 HB3 ARG A 32 -12.521 1.175 3.190 1.00 14.13 H new ATOM 0 HG2 ARG A 32 -12.189 -0.792 4.548 1.00 22.23 H new ATOM 0 HG3 ARG A 32 -11.135 -0.921 3.155 1.00 22.23 H new ATOM 0 HD2 ARG A 32 -9.296 0.125 4.608 1.00 43.11 H new ATOM 0 HD3 ARG A 32 -10.369 -0.099 5.976 1.00 43.11 H new ATOM 0 HE ARG A 32 -9.369 -2.366 4.279 1.00 44.24 H new ATOM 0 HH11 ARG A 32 -10.564 -1.081 7.340 1.00 74.02 H new ATOM 0 HH12 ARG A 32 -10.049 -2.493 8.268 1.00 74.02 H new ATOM 0 HH21 ARG A 32 -8.668 -4.153 5.474 1.00 14.41 H new ATOM 0 HH22 ARG A 32 -8.976 -4.231 7.211 1.00 14.41 H new ATOM 533 N SER A 33 -11.217 1.873 0.594 1.00 70.13 N ATOM 534 CA SER A 33 -11.306 1.477 -0.805 1.00 12.44 C ATOM 535 C SER A 33 -9.917 1.444 -1.434 1.00 74.21 C ATOM 536 O SER A 33 -9.606 0.562 -2.235 1.00 3.24 O ATOM 537 CB SER A 33 -12.219 2.445 -1.567 1.00 10.25 C ATOM 538 OG SER A 33 -12.418 2.035 -2.912 1.00 54.11 O ATOM 0 H SER A 33 -11.742 2.716 0.825 1.00 70.13 H new ATOM 0 HA SER A 33 -11.733 0.476 -0.863 1.00 12.44 H new ATOM 0 HB2 SER A 33 -13.182 2.511 -1.061 1.00 10.25 H new ATOM 0 HB3 SER A 33 -11.783 3.444 -1.552 1.00 10.25 H new ATOM 0 HG SER A 33 -13.006 2.675 -3.365 1.00 54.11 H new ATOM 544 N ARG A 34 -9.080 2.403 -1.046 1.00 10.24 N ATOM 545 CA ARG A 34 -7.701 2.457 -1.518 1.00 22.54 C ATOM 546 C ARG A 34 -6.941 1.234 -1.020 1.00 45.42 C ATOM 547 O ARG A 34 -6.247 0.561 -1.776 1.00 4.33 O ATOM 548 CB ARG A 34 -7.013 3.729 -1.015 1.00 42.10 C ATOM 549 CG ARG A 34 -7.811 5.000 -1.261 1.00 51.01 C ATOM 550 CD ARG A 34 -7.111 6.219 -0.682 1.00 32.23 C ATOM 551 NE ARG A 34 -7.990 7.390 -0.656 1.00 14.31 N ATOM 552 CZ ARG A 34 -7.722 8.517 0.005 1.00 21.45 C ATOM 553 NH1 ARG A 34 -6.535 8.706 0.561 1.00 63.54 N ATOM 554 NH2 ARG A 34 -8.633 9.482 0.068 1.00 72.52 N ATOM 0 H ARG A 34 -9.334 3.154 -0.405 1.00 10.24 H new ATOM 0 HA ARG A 34 -7.704 2.467 -2.608 1.00 22.54 H new ATOM 0 HB2 ARG A 34 -6.826 3.630 0.054 1.00 42.10 H new ATOM 0 HB3 ARG A 34 -6.042 3.822 -1.501 1.00 42.10 H new ATOM 0 HG2 ARG A 34 -7.957 5.138 -2.332 1.00 51.01 H new ATOM 0 HG3 ARG A 34 -8.801 4.901 -0.815 1.00 51.01 H new ATOM 0 HD2 ARG A 34 -6.772 5.997 0.330 1.00 32.23 H new ATOM 0 HD3 ARG A 34 -6.224 6.444 -1.274 1.00 32.23 H new ATOM 0 HE ARG A 34 -8.865 7.340 -1.178 1.00 14.31 H new ATOM 0 HH11 ARG A 34 -5.816 7.986 0.486 1.00 63.54 H new ATOM 0 HH12 ARG A 34 -6.340 9.571 1.064 1.00 63.54 H new ATOM 0 HH21 ARG A 34 -9.537 9.361 -0.389 1.00 72.52 H new ATOM 0 HH22 ARG A 34 -8.429 10.344 0.573 1.00 72.52 H new ATOM 568 N ILE A 35 -7.104 0.945 0.263 1.00 73.40 N ATOM 569 CA ILE A 35 -6.430 -0.181 0.893 1.00 30.11 C ATOM 570 C ILE A 35 -6.857 -1.512 0.270 1.00 33.32 C ATOM 571 O ILE A 35 -6.023 -2.282 -0.206 1.00 12.41 O ATOM 572 CB ILE A 35 -6.714 -0.223 2.411 1.00 10.31 C ATOM 573 CG1 ILE A 35 -6.271 1.086 3.073 1.00 62.31 C ATOM 574 CG2 ILE A 35 -6.013 -1.414 3.055 1.00 34.52 C ATOM 575 CD1 ILE A 35 -6.590 1.161 4.551 1.00 2.03 C ATOM 0 H ILE A 35 -7.702 1.480 0.893 1.00 73.40 H new ATOM 0 HA ILE A 35 -5.362 -0.039 0.728 1.00 30.11 H new ATOM 0 HB ILE A 35 -7.788 -0.338 2.559 1.00 10.31 H new ATOM 0 HG12 ILE A 35 -5.196 1.206 2.936 1.00 62.31 H new ATOM 0 HG13 ILE A 35 -6.752 1.921 2.564 1.00 62.31 H new ATOM 0 HG21 ILE A 35 -6.225 -1.426 4.124 1.00 34.52 H new ATOM 0 HG22 ILE A 35 -6.375 -2.337 2.603 1.00 34.52 H new ATOM 0 HG23 ILE A 35 -4.937 -1.331 2.899 1.00 34.52 H new ATOM 0 HD11 ILE A 35 -6.247 2.116 4.949 1.00 2.03 H new ATOM 0 HD12 ILE A 35 -7.667 1.074 4.696 1.00 2.03 H new ATOM 0 HD13 ILE A 35 -6.087 0.348 5.074 1.00 2.03 H new ATOM 587 N GLU A 36 -8.159 -1.764 0.256 1.00 70.14 N ATOM 588 CA GLU A 36 -8.681 -3.067 -0.143 1.00 5.04 C ATOM 589 C GLU A 36 -8.495 -3.351 -1.630 1.00 10.31 C ATOM 590 O GLU A 36 -8.268 -4.499 -2.018 1.00 40.11 O ATOM 591 CB GLU A 36 -10.161 -3.192 0.223 1.00 71.44 C ATOM 592 CG GLU A 36 -10.418 -3.151 1.718 1.00 10.32 C ATOM 593 CD GLU A 36 -9.515 -4.097 2.482 1.00 51.21 C ATOM 594 OE1 GLU A 36 -9.566 -5.317 2.223 1.00 61.11 O ATOM 595 OE2 GLU A 36 -8.731 -3.622 3.325 1.00 54.40 O ATOM 0 H GLU A 36 -8.874 -1.085 0.516 1.00 70.14 H new ATOM 0 HA GLU A 36 -8.102 -3.809 0.406 1.00 5.04 H new ATOM 0 HB2 GLU A 36 -10.715 -2.385 -0.256 1.00 71.44 H new ATOM 0 HB3 GLU A 36 -10.549 -4.128 -0.179 1.00 71.44 H new ATOM 0 HG2 GLU A 36 -10.268 -2.135 2.083 1.00 10.32 H new ATOM 0 HG3 GLU A 36 -11.459 -3.409 1.913 1.00 10.32 H new ATOM 602 N LYS A 37 -8.585 -2.325 -2.460 1.00 31.23 N ATOM 603 CA LYS A 37 -8.564 -2.526 -3.897 1.00 13.02 C ATOM 604 C LYS A 37 -7.161 -2.347 -4.480 1.00 2.14 C ATOM 605 O LYS A 37 -6.727 -3.152 -5.306 1.00 3.32 O ATOM 606 CB LYS A 37 -9.580 -1.585 -4.561 1.00 44.44 C ATOM 607 CG LYS A 37 -9.512 -1.551 -6.077 1.00 2.25 C ATOM 608 CD LYS A 37 -8.714 -0.354 -6.559 1.00 4.12 C ATOM 609 CE LYS A 37 -9.435 0.950 -6.262 1.00 41.01 C ATOM 610 NZ LYS A 37 -8.598 2.134 -6.581 1.00 3.24 N ATOM 0 H LYS A 37 -8.673 -1.352 -2.166 1.00 31.23 H new ATOM 0 HA LYS A 37 -8.850 -3.557 -4.107 1.00 13.02 H new ATOM 0 HB2 LYS A 37 -10.584 -1.886 -4.262 1.00 44.44 H new ATOM 0 HB3 LYS A 37 -9.423 -0.576 -4.181 1.00 44.44 H new ATOM 0 HG2 LYS A 37 -9.054 -2.469 -6.445 1.00 2.25 H new ATOM 0 HG3 LYS A 37 -10.520 -1.510 -6.489 1.00 2.25 H new ATOM 0 HD2 LYS A 37 -7.736 -0.349 -6.077 1.00 4.12 H new ATOM 0 HD3 LYS A 37 -8.540 -0.439 -7.632 1.00 4.12 H new ATOM 0 HE2 LYS A 37 -10.359 0.993 -6.839 1.00 41.01 H new ATOM 0 HE3 LYS A 37 -9.715 0.977 -5.209 1.00 41.01 H new ATOM 0 HZ1 LYS A 37 -9.209 2.922 -6.875 1.00 3.24 H new ATOM 0 HZ2 LYS A 37 -8.055 2.412 -5.739 1.00 3.24 H new ATOM 0 HZ3 LYS A 37 -7.942 1.898 -7.353 1.00 3.24 H new ATOM 624 N ASP A 38 -6.450 -1.314 -4.044 1.00 24.54 N ATOM 625 CA ASP A 38 -5.146 -0.996 -4.624 1.00 14.32 C ATOM 626 C ASP A 38 -4.032 -1.804 -3.973 1.00 53.14 C ATOM 627 O ASP A 38 -3.143 -2.308 -4.660 1.00 32.12 O ATOM 628 CB ASP A 38 -4.837 0.501 -4.496 1.00 41.31 C ATOM 629 CG ASP A 38 -5.828 1.373 -5.238 1.00 60.52 C ATOM 630 OD1 ASP A 38 -5.705 1.509 -6.473 1.00 35.44 O ATOM 631 OD2 ASP A 38 -6.748 1.920 -4.596 1.00 22.20 O ATOM 0 H ASP A 38 -6.749 -0.686 -3.298 1.00 24.54 H new ATOM 0 HA ASP A 38 -5.194 -1.261 -5.680 1.00 14.32 H new ATOM 0 HB2 ASP A 38 -4.836 0.778 -3.442 1.00 41.31 H new ATOM 0 HB3 ASP A 38 -3.834 0.694 -4.877 1.00 41.31 H new ATOM 636 N ILE A 39 -4.078 -1.932 -2.650 1.00 53.05 N ATOM 637 CA ILE A 39 -3.018 -2.618 -1.917 1.00 24.54 C ATOM 638 C ILE A 39 -3.130 -4.137 -2.062 1.00 23.10 C ATOM 639 O ILE A 39 -2.119 -4.838 -2.118 1.00 50.15 O ATOM 640 CB ILE A 39 -3.017 -2.228 -0.420 1.00 44.43 C ATOM 641 CG1 ILE A 39 -2.853 -0.710 -0.274 1.00 1.32 C ATOM 642 CG2 ILE A 39 -1.909 -2.961 0.329 1.00 72.55 C ATOM 643 CD1 ILE A 39 -2.873 -0.227 1.160 1.00 43.04 C ATOM 0 H ILE A 39 -4.833 -1.572 -2.066 1.00 53.05 H new ATOM 0 HA ILE A 39 -2.073 -2.298 -2.356 1.00 24.54 H new ATOM 0 HB ILE A 39 -3.971 -2.522 0.017 1.00 44.43 H new ATOM 0 HG12 ILE A 39 -1.912 -0.410 -0.735 1.00 1.32 H new ATOM 0 HG13 ILE A 39 -3.651 -0.213 -0.826 1.00 1.32 H new ATOM 0 HG21 ILE A 39 -1.927 -2.672 1.380 1.00 72.55 H new ATOM 0 HG22 ILE A 39 -2.064 -4.037 0.246 1.00 72.55 H new ATOM 0 HG23 ILE A 39 -0.943 -2.699 -0.103 1.00 72.55 H new ATOM 0 HD11 ILE A 39 -2.752 0.856 1.181 1.00 43.04 H new ATOM 0 HD12 ILE A 39 -3.824 -0.495 1.621 1.00 43.04 H new ATOM 0 HD13 ILE A 39 -2.058 -0.694 1.713 1.00 43.04 H new ATOM 655 N LYS A 40 -4.353 -4.652 -2.135 1.00 61.51 N ATOM 656 CA LYS A 40 -4.555 -6.088 -2.324 1.00 3.44 C ATOM 657 C LYS A 40 -5.284 -6.381 -3.634 1.00 22.24 C ATOM 658 O LYS A 40 -6.493 -6.610 -3.635 1.00 55.14 O ATOM 659 CB LYS A 40 -5.340 -6.714 -1.161 1.00 63.13 C ATOM 660 CG LYS A 40 -4.614 -6.722 0.182 1.00 4.10 C ATOM 661 CD LYS A 40 -4.805 -5.423 0.952 1.00 52.04 C ATOM 662 CE LYS A 40 -6.279 -5.104 1.167 1.00 63.54 C ATOM 663 NZ LYS A 40 -6.991 -6.148 1.955 1.00 50.15 N ATOM 0 H LYS A 40 -5.212 -4.106 -2.067 1.00 61.51 H new ATOM 0 HA LYS A 40 -3.562 -6.535 -2.357 1.00 3.44 H new ATOM 0 HB2 LYS A 40 -6.279 -6.174 -1.045 1.00 63.13 H new ATOM 0 HB3 LYS A 40 -5.593 -7.741 -1.425 1.00 63.13 H new ATOM 0 HG2 LYS A 40 -4.978 -7.555 0.784 1.00 4.10 H new ATOM 0 HG3 LYS A 40 -3.550 -6.890 0.016 1.00 4.10 H new ATOM 0 HD2 LYS A 40 -4.304 -5.496 1.917 1.00 52.04 H new ATOM 0 HD3 LYS A 40 -4.332 -4.605 0.408 1.00 52.04 H new ATOM 0 HE2 LYS A 40 -6.367 -4.146 1.680 1.00 63.54 H new ATOM 0 HE3 LYS A 40 -6.766 -4.992 0.198 1.00 63.54 H new ATOM 0 HZ1 LYS A 40 -8.012 -5.948 1.954 1.00 50.15 H new ATOM 0 HZ2 LYS A 40 -6.821 -7.081 1.529 1.00 50.15 H new ATOM 0 HZ3 LYS A 40 -6.638 -6.145 2.933 1.00 50.15 H new ATOM 677 N PRO A 41 -4.573 -6.354 -4.774 1.00 0.24 N ATOM 678 CA PRO A 41 -5.147 -6.718 -6.064 1.00 51.13 C ATOM 679 C PRO A 41 -5.146 -8.230 -6.284 1.00 31.12 C ATOM 680 O PRO A 41 -6.192 -8.837 -6.520 1.00 40.32 O ATOM 681 CB PRO A 41 -4.225 -6.029 -7.084 1.00 2.34 C ATOM 682 CG PRO A 41 -3.182 -5.305 -6.287 1.00 32.13 C ATOM 683 CD PRO A 41 -3.183 -5.920 -4.917 1.00 14.34 C ATOM 0 HA PRO A 41 -6.190 -6.412 -6.145 1.00 51.13 H new ATOM 0 HB2 PRO A 41 -3.767 -6.760 -7.750 1.00 2.34 H new ATOM 0 HB3 PRO A 41 -4.787 -5.336 -7.710 1.00 2.34 H new ATOM 0 HG2 PRO A 41 -2.202 -5.401 -6.754 1.00 32.13 H new ATOM 0 HG3 PRO A 41 -3.406 -4.240 -6.233 1.00 32.13 H new ATOM 0 HD2 PRO A 41 -2.486 -6.755 -4.845 1.00 14.34 H new ATOM 0 HD3 PRO A 41 -2.900 -5.201 -4.148 1.00 14.34 H new ATOM 691 N ALA A 42 -3.966 -8.835 -6.193 1.00 64.41 N ATOM 692 CA ALA A 42 -3.817 -10.274 -6.369 1.00 44.05 C ATOM 693 C ALA A 42 -2.709 -10.804 -5.473 1.00 72.12 C ATOM 694 O ALA A 42 -2.097 -11.833 -5.755 1.00 4.45 O ATOM 695 CB ALA A 42 -3.522 -10.601 -7.827 1.00 21.30 C ATOM 0 H ALA A 42 -3.093 -8.346 -5.997 1.00 64.41 H new ATOM 0 HA ALA A 42 -4.752 -10.758 -6.087 1.00 44.05 H new ATOM 0 HB1 ALA A 42 -3.413 -11.679 -7.943 1.00 21.30 H new ATOM 0 HB2 ALA A 42 -4.343 -10.250 -8.452 1.00 21.30 H new ATOM 0 HB3 ALA A 42 -2.598 -10.108 -8.131 1.00 21.30 H new ATOM 701 N ILE A 43 -2.465 -10.090 -4.388 1.00 63.43 N ATOM 702 CA ILE A 43 -1.411 -10.437 -3.448 1.00 20.25 C ATOM 703 C ILE A 43 -1.918 -10.322 -2.017 1.00 61.34 C ATOM 704 O ILE A 43 -1.137 -10.189 -1.086 1.00 42.42 O ATOM 705 CB ILE A 43 -0.180 -9.520 -3.624 1.00 44.24 C ATOM 706 CG1 ILE A 43 -0.618 -8.053 -3.683 1.00 14.22 C ATOM 707 CG2 ILE A 43 0.599 -9.902 -4.877 1.00 40.34 C ATOM 708 CD1 ILE A 43 0.536 -7.070 -3.646 1.00 31.51 C ATOM 0 H ILE A 43 -2.991 -9.254 -4.133 1.00 63.43 H new ATOM 0 HA ILE A 43 -1.115 -11.466 -3.652 1.00 20.25 H new ATOM 0 HB ILE A 43 0.478 -9.650 -2.765 1.00 44.24 H new ATOM 0 HG12 ILE A 43 -1.192 -7.891 -4.595 1.00 14.22 H new ATOM 0 HG13 ILE A 43 -1.285 -7.848 -2.846 1.00 14.22 H new ATOM 0 HG21 ILE A 43 1.462 -9.245 -4.983 1.00 40.34 H new ATOM 0 HG22 ILE A 43 0.937 -10.935 -4.794 1.00 40.34 H new ATOM 0 HG23 ILE A 43 -0.045 -9.800 -5.751 1.00 40.34 H new ATOM 0 HD11 ILE A 43 0.149 -6.052 -3.691 1.00 31.51 H new ATOM 0 HD12 ILE A 43 1.098 -7.203 -2.722 1.00 31.51 H new ATOM 0 HD13 ILE A 43 1.192 -7.247 -4.498 1.00 31.51 H new ATOM 720 N GLY A 44 -3.232 -10.410 -1.847 1.00 42.14 N ATOM 721 CA GLY A 44 -3.826 -10.231 -0.531 1.00 14.44 C ATOM 722 C GLY A 44 -3.489 -11.360 0.425 1.00 65.51 C ATOM 723 O GLY A 44 -3.519 -11.184 1.642 1.00 70.51 O ATOM 0 H GLY A 44 -3.898 -10.602 -2.595 1.00 42.14 H new ATOM 0 HA2 GLY A 44 -3.482 -9.287 -0.107 1.00 14.44 H new ATOM 0 HA3 GLY A 44 -4.909 -10.158 -0.633 1.00 14.44 H new ATOM 727 N SER A 45 -3.160 -12.517 -0.128 1.00 61.52 N ATOM 728 CA SER A 45 -2.797 -13.676 0.675 1.00 21.33 C ATOM 729 C SER A 45 -1.279 -13.793 0.784 1.00 41.02 C ATOM 730 O SER A 45 -0.753 -14.748 1.359 1.00 10.33 O ATOM 731 CB SER A 45 -3.389 -14.938 0.048 1.00 65.40 C ATOM 732 OG SER A 45 -4.779 -14.774 -0.182 1.00 10.14 O ATOM 0 H SER A 45 -3.137 -12.679 -1.135 1.00 61.52 H new ATOM 0 HA SER A 45 -3.201 -13.556 1.680 1.00 21.33 H new ATOM 0 HB2 SER A 45 -2.882 -15.156 -0.892 1.00 65.40 H new ATOM 0 HB3 SER A 45 -3.221 -15.791 0.706 1.00 65.40 H new ATOM 0 HG SER A 45 -5.142 -15.590 -0.585 1.00 10.14 H new ATOM 738 N LEU A 46 -0.589 -12.801 0.242 1.00 52.00 N ATOM 739 CA LEU A 46 0.863 -12.787 0.221 1.00 52.14 C ATOM 740 C LEU A 46 1.401 -12.187 1.516 1.00 70.12 C ATOM 741 O LEU A 46 0.739 -11.364 2.147 1.00 11.22 O ATOM 742 CB LEU A 46 1.345 -11.969 -0.981 1.00 11.34 C ATOM 743 CG LEU A 46 2.848 -11.977 -1.221 1.00 15.31 C ATOM 744 CD1 LEU A 46 3.309 -13.362 -1.648 1.00 32.45 C ATOM 745 CD2 LEU A 46 3.221 -10.930 -2.261 1.00 31.12 C ATOM 0 H LEU A 46 -1.020 -11.986 -0.194 1.00 52.00 H new ATOM 0 HA LEU A 46 1.233 -13.809 0.133 1.00 52.14 H new ATOM 0 HB2 LEU A 46 0.850 -12.346 -1.876 1.00 11.34 H new ATOM 0 HB3 LEU A 46 1.022 -10.937 -0.848 1.00 11.34 H new ATOM 0 HG LEU A 46 3.355 -11.726 -0.290 1.00 15.31 H new ATOM 0 HD11 LEU A 46 4.386 -13.351 -1.816 1.00 32.45 H new ATOM 0 HD12 LEU A 46 3.071 -14.082 -0.865 1.00 32.45 H new ATOM 0 HD13 LEU A 46 2.801 -13.647 -2.569 1.00 32.45 H new ATOM 0 HD21 LEU A 46 4.299 -10.946 -2.423 1.00 31.12 H new ATOM 0 HD22 LEU A 46 2.710 -11.150 -3.198 1.00 31.12 H new ATOM 0 HD23 LEU A 46 2.922 -9.943 -1.907 1.00 31.12 H new ATOM 757 N LYS A 47 2.592 -12.600 1.921 1.00 51.42 N ATOM 758 CA LYS A 47 3.186 -12.073 3.138 1.00 34.44 C ATOM 759 C LYS A 47 4.074 -10.880 2.845 1.00 50.15 C ATOM 760 O LYS A 47 4.139 -10.382 1.721 1.00 64.53 O ATOM 761 CB LYS A 47 3.999 -13.129 3.893 1.00 25.22 C ATOM 762 CG LYS A 47 3.163 -14.235 4.504 1.00 11.11 C ATOM 763 CD LYS A 47 2.891 -15.334 3.504 1.00 71.53 C ATOM 764 CE LYS A 47 4.181 -16.017 3.079 1.00 73.24 C ATOM 765 NZ LYS A 47 3.960 -17.050 2.034 1.00 35.53 N ATOM 0 H LYS A 47 3.160 -13.291 1.431 1.00 51.42 H new ATOM 0 HA LYS A 47 2.354 -11.762 3.770 1.00 34.44 H new ATOM 0 HB2 LYS A 47 4.723 -13.572 3.209 1.00 25.22 H new ATOM 0 HB3 LYS A 47 4.566 -12.638 4.684 1.00 25.22 H new ATOM 0 HG2 LYS A 47 3.680 -14.648 5.370 1.00 11.11 H new ATOM 0 HG3 LYS A 47 2.219 -13.825 4.862 1.00 11.11 H new ATOM 0 HD2 LYS A 47 2.214 -16.068 3.941 1.00 71.53 H new ATOM 0 HD3 LYS A 47 2.390 -14.919 2.629 1.00 71.53 H new ATOM 0 HE2 LYS A 47 4.878 -15.268 2.703 1.00 73.24 H new ATOM 0 HE3 LYS A 47 4.648 -16.479 3.949 1.00 73.24 H new ATOM 0 HZ1 LYS A 47 4.869 -17.486 1.779 1.00 35.53 H new ATOM 0 HZ2 LYS A 47 3.316 -17.781 2.399 1.00 35.53 H new ATOM 0 HZ3 LYS A 47 3.540 -16.608 1.192 1.00 35.53 H new ATOM 779 N VAL A 48 4.777 -10.455 3.873 1.00 11.02 N ATOM 780 CA VAL A 48 5.592 -9.248 3.808 1.00 3.44 C ATOM 781 C VAL A 48 6.941 -9.522 3.138 1.00 24.44 C ATOM 782 O VAL A 48 7.563 -8.624 2.577 1.00 11.33 O ATOM 783 CB VAL A 48 5.815 -8.660 5.223 1.00 72.44 C ATOM 784 CG1 VAL A 48 6.568 -7.345 5.157 1.00 23.10 C ATOM 785 CG2 VAL A 48 4.488 -8.463 5.935 1.00 51.43 C ATOM 0 H VAL A 48 4.804 -10.929 4.776 1.00 11.02 H new ATOM 0 HA VAL A 48 5.051 -8.520 3.204 1.00 3.44 H new ATOM 0 HB VAL A 48 6.417 -9.372 5.787 1.00 72.44 H new ATOM 0 HG11 VAL A 48 6.710 -6.956 6.165 1.00 23.10 H new ATOM 0 HG12 VAL A 48 7.540 -7.505 4.690 1.00 23.10 H new ATOM 0 HG13 VAL A 48 5.996 -6.628 4.568 1.00 23.10 H new ATOM 0 HG21 VAL A 48 4.666 -8.049 6.928 1.00 51.43 H new ATOM 0 HG22 VAL A 48 3.866 -7.776 5.361 1.00 51.43 H new ATOM 0 HG23 VAL A 48 3.979 -9.422 6.028 1.00 51.43 H new ATOM 795 N GLU A 49 7.376 -10.772 3.170 1.00 23.54 N ATOM 796 CA GLU A 49 8.696 -11.126 2.659 1.00 30.54 C ATOM 797 C GLU A 49 8.721 -11.252 1.134 1.00 2.10 C ATOM 798 O GLU A 49 9.777 -11.483 0.549 1.00 63.23 O ATOM 799 CB GLU A 49 9.177 -12.429 3.289 1.00 54.44 C ATOM 800 CG GLU A 49 9.397 -12.333 4.788 1.00 15.32 C ATOM 801 CD GLU A 49 9.897 -13.632 5.382 1.00 31.40 C ATOM 802 OE1 GLU A 49 9.059 -14.477 5.756 1.00 22.11 O ATOM 803 OE2 GLU A 49 11.128 -13.815 5.475 1.00 2.24 O ATOM 0 H GLU A 49 6.840 -11.556 3.542 1.00 23.54 H new ATOM 0 HA GLU A 49 9.368 -10.312 2.932 1.00 30.54 H new ATOM 0 HB2 GLU A 49 8.447 -13.212 3.087 1.00 54.44 H new ATOM 0 HB3 GLU A 49 10.109 -12.731 2.812 1.00 54.44 H new ATOM 0 HG2 GLU A 49 10.116 -11.541 4.997 1.00 15.32 H new ATOM 0 HG3 GLU A 49 8.462 -12.051 5.272 1.00 15.32 H new ATOM 810 N ASP A 50 7.571 -11.106 0.484 1.00 33.10 N ATOM 811 CA ASP A 50 7.526 -11.209 -0.975 1.00 24.33 C ATOM 812 C ASP A 50 6.993 -9.927 -1.605 1.00 63.23 C ATOM 813 O ASP A 50 6.885 -9.826 -2.828 1.00 2.31 O ATOM 814 CB ASP A 50 6.673 -12.406 -1.423 1.00 32.33 C ATOM 815 CG ASP A 50 6.775 -12.681 -2.919 1.00 70.02 C ATOM 816 OD1 ASP A 50 7.763 -13.313 -3.345 1.00 44.52 O ATOM 817 OD2 ASP A 50 5.867 -12.270 -3.682 1.00 33.21 O ATOM 0 H ASP A 50 6.673 -10.920 0.931 1.00 33.10 H new ATOM 0 HA ASP A 50 8.549 -11.364 -1.317 1.00 24.33 H new ATOM 0 HB2 ASP A 50 6.985 -13.294 -0.873 1.00 32.33 H new ATOM 0 HB3 ASP A 50 5.631 -12.220 -1.163 1.00 32.33 H new ATOM 822 N VAL A 51 6.668 -8.932 -0.790 1.00 54.11 N ATOM 823 CA VAL A 51 6.165 -7.678 -1.330 1.00 5.42 C ATOM 824 C VAL A 51 7.318 -6.856 -1.921 1.00 32.02 C ATOM 825 O VAL A 51 7.854 -5.933 -1.314 1.00 13.11 O ATOM 826 CB VAL A 51 5.340 -6.861 -0.298 1.00 51.42 C ATOM 827 CG1 VAL A 51 6.152 -6.506 0.939 1.00 23.51 C ATOM 828 CG2 VAL A 51 4.760 -5.608 -0.946 1.00 10.35 C ATOM 0 H VAL A 51 6.742 -8.967 0.227 1.00 54.11 H new ATOM 0 HA VAL A 51 5.468 -7.924 -2.131 1.00 5.42 H new ATOM 0 HB VAL A 51 4.518 -7.496 0.034 1.00 51.42 H new ATOM 0 HG11 VAL A 51 5.532 -5.935 1.630 1.00 23.51 H new ATOM 0 HG12 VAL A 51 6.491 -7.420 1.426 1.00 23.51 H new ATOM 0 HG13 VAL A 51 7.016 -5.908 0.648 1.00 23.51 H new ATOM 0 HG21 VAL A 51 4.186 -5.049 -0.207 1.00 10.35 H new ATOM 0 HG22 VAL A 51 5.571 -4.985 -1.323 1.00 10.35 H new ATOM 0 HG23 VAL A 51 4.108 -5.894 -1.772 1.00 10.35 H new ATOM 838 N LYS A 52 7.724 -7.257 -3.112 1.00 11.12 N ATOM 839 CA LYS A 52 8.797 -6.596 -3.831 1.00 24.44 C ATOM 840 C LYS A 52 8.271 -5.357 -4.545 1.00 3.42 C ATOM 841 O LYS A 52 7.082 -5.284 -4.866 1.00 74.32 O ATOM 842 CB LYS A 52 9.402 -7.572 -4.840 1.00 31.40 C ATOM 843 CG LYS A 52 10.095 -8.756 -4.191 1.00 55.35 C ATOM 844 CD LYS A 52 9.617 -10.081 -4.763 1.00 1.54 C ATOM 845 CE LYS A 52 10.391 -11.245 -4.165 1.00 15.50 C ATOM 846 NZ LYS A 52 9.939 -12.556 -4.697 1.00 71.41 N ATOM 0 H LYS A 52 7.319 -8.051 -3.608 1.00 11.12 H new ATOM 0 HA LYS A 52 9.566 -6.283 -3.125 1.00 24.44 H new ATOM 0 HB2 LYS A 52 8.614 -7.938 -5.498 1.00 31.40 H new ATOM 0 HB3 LYS A 52 10.118 -7.039 -5.465 1.00 31.40 H new ATOM 0 HG2 LYS A 52 11.172 -8.668 -4.333 1.00 55.35 H new ATOM 0 HG3 LYS A 52 9.912 -8.738 -3.117 1.00 55.35 H new ATOM 0 HD2 LYS A 52 8.553 -10.205 -4.561 1.00 1.54 H new ATOM 0 HD3 LYS A 52 9.738 -10.078 -5.846 1.00 1.54 H new ATOM 0 HE2 LYS A 52 11.453 -11.117 -4.374 1.00 15.50 H new ATOM 0 HE3 LYS A 52 10.276 -11.236 -3.081 1.00 15.50 H new ATOM 0 HZ1 LYS A 52 10.635 -13.289 -4.452 1.00 71.41 H new ATOM 0 HZ2 LYS A 52 9.018 -12.801 -4.281 1.00 71.41 H new ATOM 0 HZ3 LYS A 52 9.847 -12.498 -5.731 1.00 71.41 H new ATOM 860 N PRO A 53 9.151 -4.373 -4.813 1.00 61.13 N ATOM 861 CA PRO A 53 8.775 -3.129 -5.499 1.00 14.51 C ATOM 862 C PRO A 53 8.146 -3.393 -6.865 1.00 72.23 C ATOM 863 O PRO A 53 7.379 -2.576 -7.373 1.00 55.41 O ATOM 864 CB PRO A 53 10.101 -2.379 -5.653 1.00 15.53 C ATOM 865 CG PRO A 53 10.999 -2.959 -4.616 1.00 61.12 C ATOM 866 CD PRO A 53 10.584 -4.394 -4.464 1.00 31.01 C ATOM 0 HA PRO A 53 8.025 -2.569 -4.941 1.00 14.51 H new ATOM 0 HB2 PRO A 53 10.515 -2.512 -6.652 1.00 15.53 H new ATOM 0 HB3 PRO A 53 9.967 -1.308 -5.504 1.00 15.53 H new ATOM 0 HG2 PRO A 53 12.043 -2.885 -4.919 1.00 61.12 H new ATOM 0 HG3 PRO A 53 10.902 -2.423 -3.672 1.00 61.12 H new ATOM 0 HD2 PRO A 53 11.150 -5.048 -5.127 1.00 31.01 H new ATOM 0 HD3 PRO A 53 10.745 -4.754 -3.448 1.00 31.01 H new ATOM 874 N ARG A 54 8.466 -4.551 -7.439 1.00 55.42 N ATOM 875 CA ARG A 54 7.881 -4.981 -8.707 1.00 12.40 C ATOM 876 C ARG A 54 6.355 -4.994 -8.630 1.00 40.34 C ATOM 877 O ARG A 54 5.672 -4.663 -9.599 1.00 34.44 O ATOM 878 CB ARG A 54 8.372 -6.383 -9.071 1.00 2.53 C ATOM 879 CG ARG A 54 9.852 -6.473 -9.404 1.00 21.21 C ATOM 880 CD ARG A 54 10.210 -5.621 -10.609 1.00 21.30 C ATOM 881 NE ARG A 54 11.351 -6.170 -11.343 1.00 2.20 N ATOM 882 CZ ARG A 54 12.606 -5.738 -11.223 1.00 11.51 C ATOM 883 NH1 ARG A 54 12.907 -4.771 -10.369 1.00 63.43 N ATOM 884 NH2 ARG A 54 13.567 -6.290 -11.955 1.00 71.30 N ATOM 0 H ARG A 54 9.133 -5.213 -7.042 1.00 55.42 H new ATOM 0 HA ARG A 54 8.193 -4.271 -9.473 1.00 12.40 H new ATOM 0 HB2 ARG A 54 8.160 -7.055 -8.239 1.00 2.53 H new ATOM 0 HB3 ARG A 54 7.799 -6.743 -9.926 1.00 2.53 H new ATOM 0 HG2 ARG A 54 10.439 -6.151 -8.544 1.00 21.21 H new ATOM 0 HG3 ARG A 54 10.118 -7.512 -9.601 1.00 21.21 H new ATOM 0 HD2 ARG A 54 9.349 -5.552 -11.274 1.00 21.30 H new ATOM 0 HD3 ARG A 54 10.442 -4.608 -10.282 1.00 21.30 H new ATOM 0 HE ARG A 54 11.173 -6.937 -11.992 1.00 2.20 H new ATOM 0 HH11 ARG A 54 12.175 -4.350 -9.796 1.00 63.43 H new ATOM 0 HH12 ARG A 54 13.870 -4.447 -10.284 1.00 63.43 H new ATOM 0 HH21 ARG A 54 13.343 -7.042 -12.607 1.00 71.30 H new ATOM 0 HH22 ARG A 54 14.529 -5.962 -11.866 1.00 71.30 H new ATOM 898 N HIS A 55 5.832 -5.363 -7.462 1.00 34.43 N ATOM 899 CA HIS A 55 4.386 -5.474 -7.272 1.00 31.02 C ATOM 900 C HIS A 55 3.769 -4.086 -7.179 1.00 1.12 C ATOM 901 O HIS A 55 2.700 -3.825 -7.729 1.00 22.33 O ATOM 902 CB HIS A 55 4.045 -6.263 -5.994 1.00 60.24 C ATOM 903 CG HIS A 55 4.685 -7.617 -5.886 1.00 52.21 C ATOM 904 ND1 HIS A 55 5.386 -8.223 -6.909 1.00 4.52 N ATOM 905 CD2 HIS A 55 4.751 -8.469 -4.837 1.00 73.22 C ATOM 906 CE1 HIS A 55 5.860 -9.384 -6.489 1.00 72.01 C ATOM 907 NE2 HIS A 55 5.486 -9.556 -5.237 1.00 13.32 N ATOM 0 H HIS A 55 6.385 -5.590 -6.635 1.00 34.43 H new ATOM 0 HA HIS A 55 3.978 -6.010 -8.129 1.00 31.02 H new ATOM 0 HB2 HIS A 55 4.342 -5.669 -5.130 1.00 60.24 H new ATOM 0 HB3 HIS A 55 2.963 -6.385 -5.940 1.00 60.24 H new ATOM 0 HD2 HIS A 55 4.307 -8.321 -3.864 1.00 73.22 H new ATOM 0 HE1 HIS A 55 6.452 -10.073 -7.072 1.00 72.01 H new ATOM 0 HE2 HIS A 55 5.707 -10.367 -4.659 1.00 13.32 H new ATOM 916 N ILE A 56 4.471 -3.194 -6.490 1.00 61.00 N ATOM 917 CA ILE A 56 3.993 -1.836 -6.260 1.00 74.44 C ATOM 918 C ILE A 56 3.996 -1.034 -7.558 1.00 52.34 C ATOM 919 O ILE A 56 3.135 -0.184 -7.777 1.00 31.24 O ATOM 920 CB ILE A 56 4.866 -1.112 -5.207 1.00 23.04 C ATOM 921 CG1 ILE A 56 4.945 -1.932 -3.913 1.00 32.22 C ATOM 922 CG2 ILE A 56 4.324 0.284 -4.922 1.00 53.13 C ATOM 923 CD1 ILE A 56 3.600 -2.207 -3.271 1.00 65.20 C ATOM 0 H ILE A 56 5.383 -3.390 -6.077 1.00 61.00 H new ATOM 0 HA ILE A 56 2.972 -1.907 -5.885 1.00 74.44 H new ATOM 0 HB ILE A 56 5.873 -1.012 -5.613 1.00 23.04 H new ATOM 0 HG12 ILE A 56 5.434 -2.882 -4.127 1.00 32.22 H new ATOM 0 HG13 ILE A 56 5.575 -1.403 -3.198 1.00 32.22 H new ATOM 0 HG21 ILE A 56 4.953 0.774 -4.179 1.00 53.13 H new ATOM 0 HG22 ILE A 56 4.325 0.869 -5.841 1.00 53.13 H new ATOM 0 HG23 ILE A 56 3.305 0.208 -4.541 1.00 53.13 H new ATOM 0 HD11 ILE A 56 3.743 -2.791 -2.362 1.00 65.20 H new ATOM 0 HD12 ILE A 56 3.115 -1.263 -3.023 1.00 65.20 H new ATOM 0 HD13 ILE A 56 2.972 -2.765 -3.966 1.00 65.20 H new ATOM 935 N ASP A 57 4.954 -1.322 -8.426 1.00 11.53 N ATOM 936 CA ASP A 57 5.052 -0.636 -9.708 1.00 12.12 C ATOM 937 C ASP A 57 3.788 -0.865 -10.526 1.00 2.14 C ATOM 938 O ASP A 57 3.235 0.060 -11.120 1.00 3.41 O ATOM 939 CB ASP A 57 6.277 -1.130 -10.481 1.00 44.42 C ATOM 940 CG ASP A 57 6.339 -0.573 -11.889 1.00 23.43 C ATOM 941 OD1 ASP A 57 6.919 0.514 -12.082 1.00 72.02 O ATOM 942 OD2 ASP A 57 5.814 -1.229 -12.811 1.00 64.45 O ATOM 0 H ASP A 57 5.675 -2.026 -8.267 1.00 11.53 H new ATOM 0 HA ASP A 57 5.162 0.433 -9.524 1.00 12.12 H new ATOM 0 HB2 ASP A 57 7.181 -0.847 -9.942 1.00 44.42 H new ATOM 0 HB3 ASP A 57 6.260 -2.219 -10.525 1.00 44.42 H new ATOM 947 N ASP A 58 3.315 -2.103 -10.513 1.00 65.03 N ATOM 948 CA ASP A 58 2.143 -2.494 -11.293 1.00 13.15 C ATOM 949 C ASP A 58 0.886 -1.788 -10.797 1.00 74.14 C ATOM 950 O ASP A 58 0.081 -1.301 -11.598 1.00 12.31 O ATOM 951 CB ASP A 58 1.951 -4.012 -11.222 1.00 31.34 C ATOM 952 CG ASP A 58 0.852 -4.513 -12.140 1.00 61.11 C ATOM 953 OD1 ASP A 58 -0.323 -4.549 -11.715 1.00 5.15 O ATOM 954 OD2 ASP A 58 1.165 -4.892 -13.290 1.00 54.30 O ATOM 0 H ASP A 58 3.726 -2.861 -9.968 1.00 65.03 H new ATOM 0 HA ASP A 58 2.312 -2.196 -12.328 1.00 13.15 H new ATOM 0 HB2 ASP A 58 2.888 -4.504 -11.483 1.00 31.34 H new ATOM 0 HB3 ASP A 58 1.717 -4.296 -10.196 1.00 31.34 H new ATOM 959 N VAL A 59 0.727 -1.714 -9.479 1.00 14.55 N ATOM 960 CA VAL A 59 -0.471 -1.121 -8.894 1.00 52.35 C ATOM 961 C VAL A 59 -0.489 0.396 -9.079 1.00 52.14 C ATOM 962 O VAL A 59 -1.554 1.011 -9.088 1.00 53.33 O ATOM 963 CB VAL A 59 -0.629 -1.478 -7.396 1.00 33.34 C ATOM 964 CG1 VAL A 59 -0.626 -2.986 -7.207 1.00 44.22 C ATOM 965 CG2 VAL A 59 0.453 -0.830 -6.549 1.00 33.33 C ATOM 0 H VAL A 59 1.407 -2.055 -8.800 1.00 14.55 H new ATOM 0 HA VAL A 59 -1.320 -1.548 -9.429 1.00 52.35 H new ATOM 0 HB VAL A 59 -1.588 -1.084 -7.060 1.00 33.34 H new ATOM 0 HG11 VAL A 59 -0.738 -3.220 -6.148 1.00 44.22 H new ATOM 0 HG12 VAL A 59 -1.453 -3.424 -7.765 1.00 44.22 H new ATOM 0 HG13 VAL A 59 0.316 -3.397 -7.572 1.00 44.22 H new ATOM 0 HG21 VAL A 59 0.309 -1.103 -5.504 1.00 33.33 H new ATOM 0 HG22 VAL A 59 1.432 -1.175 -6.883 1.00 33.33 H new ATOM 0 HG23 VAL A 59 0.395 0.254 -6.652 1.00 33.33 H new ATOM 975 N LEU A 60 0.688 0.993 -9.252 1.00 43.20 N ATOM 976 CA LEU A 60 0.777 2.424 -9.509 1.00 3.13 C ATOM 977 C LEU A 60 0.123 2.765 -10.841 1.00 73.22 C ATOM 978 O LEU A 60 -0.697 3.672 -10.923 1.00 4.54 O ATOM 979 CB LEU A 60 2.233 2.890 -9.502 1.00 72.41 C ATOM 980 CG LEU A 60 2.934 2.817 -8.144 1.00 73.30 C ATOM 981 CD1 LEU A 60 4.367 3.306 -8.259 1.00 35.05 C ATOM 982 CD2 LEU A 60 2.174 3.627 -7.102 1.00 34.35 C ATOM 0 H LEU A 60 1.586 0.510 -9.219 1.00 43.20 H new ATOM 0 HA LEU A 60 0.247 2.945 -8.712 1.00 3.13 H new ATOM 0 HB2 LEU A 60 2.794 2.287 -10.215 1.00 72.41 H new ATOM 0 HB3 LEU A 60 2.270 3.920 -9.857 1.00 72.41 H new ATOM 0 HG LEU A 60 2.950 1.776 -7.822 1.00 73.30 H new ATOM 0 HD11 LEU A 60 4.851 3.247 -7.284 1.00 35.05 H new ATOM 0 HD12 LEU A 60 4.908 2.683 -8.971 1.00 35.05 H new ATOM 0 HD13 LEU A 60 4.372 4.340 -8.605 1.00 35.05 H new ATOM 0 HD21 LEU A 60 2.689 3.562 -6.144 1.00 34.35 H new ATOM 0 HD22 LEU A 60 2.124 4.669 -7.417 1.00 34.35 H new ATOM 0 HD23 LEU A 60 1.164 3.230 -6.999 1.00 34.35 H new ATOM 994 N LYS A 61 0.476 2.018 -11.880 1.00 11.43 N ATOM 995 CA LYS A 61 -0.138 2.203 -13.192 1.00 10.14 C ATOM 996 C LYS A 61 -1.628 1.927 -13.117 1.00 41.35 C ATOM 997 O LYS A 61 -2.440 2.635 -13.713 1.00 54.55 O ATOM 998 CB LYS A 61 0.495 1.273 -14.225 1.00 33.44 C ATOM 999 CG LYS A 61 1.912 1.648 -14.592 1.00 34.44 C ATOM 1000 CD LYS A 61 2.906 0.644 -14.048 1.00 2.11 C ATOM 1001 CE LYS A 61 2.710 -0.731 -14.669 1.00 53.52 C ATOM 1002 NZ LYS A 61 3.923 -1.575 -14.536 1.00 45.30 N ATOM 0 H LYS A 61 1.181 1.281 -11.842 1.00 11.43 H new ATOM 0 HA LYS A 61 0.028 3.236 -13.498 1.00 10.14 H new ATOM 0 HB2 LYS A 61 0.487 0.254 -13.837 1.00 33.44 H new ATOM 0 HB3 LYS A 61 -0.117 1.276 -15.127 1.00 33.44 H new ATOM 0 HG2 LYS A 61 2.006 1.705 -15.676 1.00 34.44 H new ATOM 0 HG3 LYS A 61 2.141 2.639 -14.200 1.00 34.44 H new ATOM 0 HD2 LYS A 61 3.920 0.992 -14.245 1.00 2.11 H new ATOM 0 HD3 LYS A 61 2.798 0.574 -12.966 1.00 2.11 H new ATOM 0 HE2 LYS A 61 1.867 -1.229 -14.190 1.00 53.52 H new ATOM 0 HE3 LYS A 61 2.458 -0.621 -15.724 1.00 53.52 H new ATOM 0 HZ1 LYS A 61 3.643 -2.558 -14.344 1.00 45.30 H new ATOM 0 HZ2 LYS A 61 4.471 -1.537 -15.419 1.00 45.30 H new ATOM 0 HZ3 LYS A 61 4.507 -1.222 -13.751 1.00 45.30 H new ATOM 1016 N ALA A 62 -1.969 0.893 -12.369 1.00 53.34 N ATOM 1017 CA ALA A 62 -3.357 0.475 -12.211 1.00 3.20 C ATOM 1018 C ALA A 62 -4.239 1.588 -11.641 1.00 5.41 C ATOM 1019 O ALA A 62 -5.378 1.761 -12.071 1.00 14.33 O ATOM 1020 CB ALA A 62 -3.435 -0.761 -11.331 1.00 11.53 C ATOM 0 H ALA A 62 -1.299 0.320 -11.856 1.00 53.34 H new ATOM 0 HA ALA A 62 -3.739 0.239 -13.204 1.00 3.20 H new ATOM 0 HB1 ALA A 62 -4.476 -1.064 -11.220 1.00 11.53 H new ATOM 0 HB2 ALA A 62 -2.869 -1.571 -11.790 1.00 11.53 H new ATOM 0 HB3 ALA A 62 -3.016 -0.536 -10.350 1.00 11.53 H new ATOM 1026 N VAL A 63 -3.728 2.340 -10.674 1.00 45.13 N ATOM 1027 CA VAL A 63 -4.509 3.423 -10.086 1.00 24.21 C ATOM 1028 C VAL A 63 -4.473 4.672 -10.976 1.00 42.33 C ATOM 1029 O VAL A 63 -5.434 5.446 -11.020 1.00 62.51 O ATOM 1030 CB VAL A 63 -4.035 3.767 -8.648 1.00 11.22 C ATOM 1031 CG1 VAL A 63 -2.627 4.338 -8.642 1.00 24.53 C ATOM 1032 CG2 VAL A 63 -5.005 4.725 -7.970 1.00 23.31 C ATOM 0 H VAL A 63 -2.792 2.224 -10.285 1.00 45.13 H new ATOM 0 HA VAL A 63 -5.539 3.073 -10.018 1.00 24.21 H new ATOM 0 HB VAL A 63 -4.016 2.836 -8.081 1.00 11.22 H new ATOM 0 HG11 VAL A 63 -2.331 4.566 -7.618 1.00 24.53 H new ATOM 0 HG12 VAL A 63 -1.937 3.608 -9.065 1.00 24.53 H new ATOM 0 HG13 VAL A 63 -2.602 5.250 -9.239 1.00 24.53 H new ATOM 0 HG21 VAL A 63 -4.651 4.950 -6.964 1.00 23.31 H new ATOM 0 HG22 VAL A 63 -5.069 5.647 -8.547 1.00 23.31 H new ATOM 0 HG23 VAL A 63 -5.991 4.264 -7.912 1.00 23.31 H new ATOM 1042 N MET A 64 -3.378 4.845 -11.714 1.00 52.44 N ATOM 1043 CA MET A 64 -3.227 5.996 -12.604 1.00 10.23 C ATOM 1044 C MET A 64 -4.167 5.893 -13.798 1.00 13.54 C ATOM 1045 O MET A 64 -4.736 6.891 -14.236 1.00 30.13 O ATOM 1046 CB MET A 64 -1.786 6.119 -13.105 1.00 43.35 C ATOM 1047 CG MET A 64 -0.778 6.467 -12.023 1.00 43.54 C ATOM 1048 SD MET A 64 0.909 6.562 -12.657 1.00 14.21 S ATOM 1049 CE MET A 64 1.825 6.882 -11.151 1.00 30.21 C ATOM 0 H MET A 64 -2.584 4.205 -11.714 1.00 52.44 H new ATOM 0 HA MET A 64 -3.481 6.885 -12.027 1.00 10.23 H new ATOM 0 HB2 MET A 64 -1.493 5.177 -13.569 1.00 43.35 H new ATOM 0 HB3 MET A 64 -1.747 6.883 -13.881 1.00 43.35 H new ATOM 0 HG2 MET A 64 -1.048 7.422 -11.573 1.00 43.54 H new ATOM 0 HG3 MET A 64 -0.824 5.718 -11.233 1.00 43.54 H new ATOM 0 HE1 MET A 64 2.475 7.745 -11.297 1.00 30.21 H new ATOM 0 HE2 MET A 64 1.128 7.086 -10.338 1.00 30.21 H new ATOM 0 HE3 MET A 64 2.430 6.010 -10.901 1.00 30.21 H new ATOM 1059 N LYS A 65 -4.329 4.683 -14.319 1.00 70.02 N ATOM 1060 CA LYS A 65 -5.152 4.466 -15.505 1.00 21.43 C ATOM 1061 C LYS A 65 -6.626 4.740 -15.213 1.00 65.33 C ATOM 1062 O LYS A 65 -7.337 5.314 -16.038 1.00 22.05 O ATOM 1063 CB LYS A 65 -4.977 3.037 -16.029 1.00 70.02 C ATOM 1064 CG LYS A 65 -5.519 1.961 -15.105 1.00 11.42 C ATOM 1065 CD LYS A 65 -5.415 0.582 -15.726 1.00 42.34 C ATOM 1066 CE LYS A 65 -6.265 0.459 -16.983 1.00 73.21 C ATOM 1067 NZ LYS A 65 -6.201 -0.906 -17.565 1.00 43.52 N ATOM 0 H LYS A 65 -3.903 3.837 -13.940 1.00 70.02 H new ATOM 0 HA LYS A 65 -4.820 5.166 -16.271 1.00 21.43 H new ATOM 0 HB2 LYS A 65 -5.474 2.954 -16.995 1.00 70.02 H new ATOM 0 HB3 LYS A 65 -3.916 2.852 -16.199 1.00 70.02 H new ATOM 0 HG2 LYS A 65 -4.969 1.979 -14.164 1.00 11.42 H new ATOM 0 HG3 LYS A 65 -6.561 2.176 -14.869 1.00 11.42 H new ATOM 0 HD2 LYS A 65 -4.374 0.372 -15.970 1.00 42.34 H new ATOM 0 HD3 LYS A 65 -5.730 -0.168 -15.000 1.00 42.34 H new ATOM 0 HE2 LYS A 65 -7.300 0.704 -16.746 1.00 73.21 H new ATOM 0 HE3 LYS A 65 -5.926 1.185 -17.722 1.00 73.21 H new ATOM 0 HZ1 LYS A 65 -6.793 -0.947 -18.419 1.00 43.52 H new ATOM 0 HZ2 LYS A 65 -5.217 -1.131 -17.815 1.00 43.52 H new ATOM 0 HZ3 LYS A 65 -6.548 -1.597 -16.869 1.00 43.52 H new ATOM 1081 N ARG A 66 -7.072 4.326 -14.037 1.00 34.33 N ATOM 1082 CA ARG A 66 -8.472 4.481 -13.652 1.00 1.21 C ATOM 1083 C ARG A 66 -8.769 5.917 -13.246 1.00 31.11 C ATOM 1084 O ARG A 66 -9.822 6.462 -13.575 1.00 52.00 O ATOM 1085 CB ARG A 66 -8.801 3.558 -12.483 1.00 70.43 C ATOM 1086 CG ARG A 66 -8.412 2.114 -12.714 1.00 13.42 C ATOM 1087 CD ARG A 66 -8.646 1.286 -11.471 1.00 32.15 C ATOM 1088 NE ARG A 66 -8.103 -0.061 -11.611 1.00 33.21 N ATOM 1089 CZ ARG A 66 -8.541 -1.121 -10.938 1.00 74.30 C ATOM 1090 NH1 ARG A 66 -9.576 -1.014 -10.112 1.00 35.55 N ATOM 1091 NH2 ARG A 66 -7.943 -2.290 -11.098 1.00 54.02 N ATOM 0 H ARG A 66 -6.487 3.880 -13.331 1.00 34.33 H new ATOM 0 HA ARG A 66 -9.086 4.220 -14.514 1.00 1.21 H new ATOM 0 HB2 ARG A 66 -8.293 3.923 -11.591 1.00 70.43 H new ATOM 0 HB3 ARG A 66 -9.871 3.608 -12.283 1.00 70.43 H new ATOM 0 HG2 ARG A 66 -8.991 1.705 -13.542 1.00 13.42 H new ATOM 0 HG3 ARG A 66 -7.362 2.058 -13.001 1.00 13.42 H new ATOM 0 HD2 ARG A 66 -8.185 1.777 -10.614 1.00 32.15 H new ATOM 0 HD3 ARG A 66 -9.715 1.228 -11.268 1.00 32.15 H new ATOM 0 HE ARG A 66 -7.336 -0.199 -12.269 1.00 33.21 H new ATOM 0 HH11 ARG A 66 -10.041 -0.114 -9.991 1.00 35.55 H new ATOM 0 HH12 ARG A 66 -9.906 -1.832 -9.599 1.00 35.55 H new ATOM 0 HH21 ARG A 66 -7.151 -2.375 -11.735 1.00 54.02 H new ATOM 0 HH22 ARG A 66 -8.274 -3.107 -10.585 1.00 54.02 H new ATOM 1105 N GLY A 67 -7.831 6.523 -12.539 1.00 34.52 N ATOM 1106 CA GLY A 67 -8.021 7.879 -12.078 1.00 43.23 C ATOM 1107 C GLY A 67 -6.896 8.798 -12.497 1.00 44.43 C ATOM 1108 O GLY A 67 -6.903 9.330 -13.607 1.00 54.01 O ATOM 0 H GLY A 67 -6.941 6.100 -12.276 1.00 34.52 H new ATOM 0 HA2 GLY A 67 -8.963 8.263 -12.468 1.00 43.23 H new ATOM 0 HA3 GLY A 67 -8.102 7.881 -10.991 1.00 43.23 H new ATOM 1112 N ALA A 68 -5.925 8.973 -11.613 1.00 34.13 N ATOM 1113 CA ALA A 68 -4.818 9.884 -11.861 1.00 23.52 C ATOM 1114 C ALA A 68 -3.660 9.588 -10.914 1.00 71.24 C ATOM 1115 O ALA A 68 -3.866 9.037 -9.830 1.00 44.21 O ATOM 1116 CB ALA A 68 -5.281 11.327 -11.697 1.00 41.03 C ATOM 0 H ALA A 68 -5.882 8.494 -10.714 1.00 34.13 H new ATOM 0 HA ALA A 68 -4.471 9.740 -12.884 1.00 23.52 H new ATOM 0 HB1 ALA A 68 -4.445 12.001 -11.885 1.00 41.03 H new ATOM 0 HB2 ALA A 68 -6.081 11.535 -12.407 1.00 41.03 H new ATOM 0 HB3 ALA A 68 -5.648 11.478 -10.682 1.00 41.03 H new ATOM 1122 N PRO A 69 -2.426 9.948 -11.310 1.00 54.34 N ATOM 1123 CA PRO A 69 -1.232 9.771 -10.470 1.00 62.35 C ATOM 1124 C PRO A 69 -1.326 10.524 -9.142 1.00 3.21 C ATOM 1125 O PRO A 69 -0.624 10.199 -8.186 1.00 52.13 O ATOM 1126 CB PRO A 69 -0.091 10.340 -11.320 1.00 5.33 C ATOM 1127 CG PRO A 69 -0.753 11.173 -12.366 1.00 50.42 C ATOM 1128 CD PRO A 69 -2.085 10.533 -12.618 1.00 2.33 C ATOM 0 HA PRO A 69 -1.095 8.725 -10.196 1.00 62.35 H new ATOM 0 HB2 PRO A 69 0.590 10.938 -10.714 1.00 5.33 H new ATOM 0 HB3 PRO A 69 0.500 9.542 -11.769 1.00 5.33 H new ATOM 0 HG2 PRO A 69 -0.872 12.202 -12.028 1.00 50.42 H new ATOM 0 HG3 PRO A 69 -0.156 11.203 -13.277 1.00 50.42 H new ATOM 0 HD2 PRO A 69 -2.828 11.262 -12.940 1.00 2.33 H new ATOM 0 HD3 PRO A 69 -2.026 9.773 -13.397 1.00 2.33 H new ATOM 1136 N SER A 70 -2.204 11.521 -9.091 1.00 20.30 N ATOM 1137 CA SER A 70 -2.423 12.306 -7.880 1.00 60.41 C ATOM 1138 C SER A 70 -2.829 11.412 -6.706 1.00 44.42 C ATOM 1139 O SER A 70 -2.453 11.663 -5.559 1.00 72.11 O ATOM 1140 CB SER A 70 -3.503 13.356 -8.140 1.00 12.24 C ATOM 1141 OG SER A 70 -3.200 14.109 -9.302 1.00 60.35 O ATOM 0 H SER A 70 -2.781 11.807 -9.882 1.00 20.30 H new ATOM 0 HA SER A 70 -1.488 12.801 -7.615 1.00 60.41 H new ATOM 0 HB2 SER A 70 -4.470 12.868 -8.259 1.00 12.24 H new ATOM 0 HB3 SER A 70 -3.585 14.021 -7.280 1.00 12.24 H new ATOM 0 HG SER A 70 -3.903 14.775 -9.453 1.00 60.35 H new ATOM 1147 N ILE A 71 -3.589 10.362 -6.997 1.00 60.53 N ATOM 1148 CA ILE A 71 -4.015 9.424 -5.967 1.00 64.44 C ATOM 1149 C ILE A 71 -2.847 8.523 -5.570 1.00 40.04 C ATOM 1150 O ILE A 71 -2.696 8.154 -4.404 1.00 0.30 O ATOM 1151 CB ILE A 71 -5.217 8.554 -6.428 1.00 52.21 C ATOM 1152 CG1 ILE A 71 -6.469 9.410 -6.671 1.00 53.44 C ATOM 1153 CG2 ILE A 71 -5.527 7.469 -5.405 1.00 42.02 C ATOM 1154 CD1 ILE A 71 -6.436 10.224 -7.947 1.00 52.13 C ATOM 0 H ILE A 71 -3.922 10.140 -7.935 1.00 60.53 H new ATOM 0 HA ILE A 71 -4.343 10.009 -5.107 1.00 64.44 H new ATOM 0 HB ILE A 71 -4.932 8.084 -7.369 1.00 52.21 H new ATOM 0 HG12 ILE A 71 -7.341 8.757 -6.694 1.00 53.44 H new ATOM 0 HG13 ILE A 71 -6.600 10.087 -5.827 1.00 53.44 H new ATOM 0 HG21 ILE A 71 -6.372 6.874 -5.751 1.00 42.02 H new ATOM 0 HG22 ILE A 71 -4.656 6.825 -5.282 1.00 42.02 H new ATOM 0 HG23 ILE A 71 -5.775 7.930 -4.449 1.00 42.02 H new ATOM 0 HD11 ILE A 71 -7.359 10.797 -8.037 1.00 52.13 H new ATOM 0 HD12 ILE A 71 -5.586 10.906 -7.921 1.00 52.13 H new ATOM 0 HD13 ILE A 71 -6.339 9.556 -8.803 1.00 52.13 H new ATOM 1166 N ALA A 72 -1.999 8.212 -6.543 1.00 15.20 N ATOM 1167 CA ALA A 72 -0.845 7.350 -6.313 1.00 33.40 C ATOM 1168 C ALA A 72 0.138 7.996 -5.341 1.00 71.44 C ATOM 1169 O ALA A 72 0.818 7.306 -4.586 1.00 2.44 O ATOM 1170 CB ALA A 72 -0.152 7.029 -7.629 1.00 61.14 C ATOM 0 H ALA A 72 -2.089 8.545 -7.503 1.00 15.20 H new ATOM 0 HA ALA A 72 -1.202 6.421 -5.867 1.00 33.40 H new ATOM 0 HB1 ALA A 72 0.707 6.385 -7.440 1.00 61.14 H new ATOM 0 HB2 ALA A 72 -0.850 6.518 -8.292 1.00 61.14 H new ATOM 0 HB3 ALA A 72 0.184 7.954 -8.098 1.00 61.14 H new ATOM 1176 N ASN A 73 0.201 9.326 -5.360 1.00 54.31 N ATOM 1177 CA ASN A 73 1.066 10.069 -4.439 1.00 44.42 C ATOM 1178 C ASN A 73 0.658 9.785 -3.006 1.00 20.20 C ATOM 1179 O ASN A 73 1.500 9.564 -2.132 1.00 3.04 O ATOM 1180 CB ASN A 73 0.980 11.577 -4.690 1.00 63.14 C ATOM 1181 CG ASN A 73 1.190 11.943 -6.142 1.00 41.42 C ATOM 1182 OD1 ASN A 73 0.598 12.898 -6.642 1.00 4.12 O ATOM 1183 ND2 ASN A 73 2.026 11.182 -6.830 1.00 54.35 N ATOM 0 H ASN A 73 -0.334 9.912 -6.001 1.00 54.31 H new ATOM 0 HA ASN A 73 2.092 9.743 -4.610 1.00 44.42 H new ATOM 0 HB2 ASN A 73 0.004 11.939 -4.366 1.00 63.14 H new ATOM 0 HB3 ASN A 73 1.727 12.085 -4.080 1.00 63.14 H new ATOM 0 HD21 ASN A 73 2.201 11.378 -7.816 1.00 54.35 H new ATOM 0 HD22 ASN A 73 2.496 10.399 -6.375 1.00 54.35 H new ATOM 1190 N ASP A 74 -0.646 9.790 -2.784 1.00 11.13 N ATOM 1191 CA ASP A 74 -1.207 9.484 -1.473 1.00 11.03 C ATOM 1192 C ASP A 74 -0.894 8.041 -1.098 1.00 71.32 C ATOM 1193 O ASP A 74 -0.510 7.750 0.034 1.00 14.04 O ATOM 1194 CB ASP A 74 -2.723 9.707 -1.477 1.00 30.30 C ATOM 1195 CG ASP A 74 -3.356 9.449 -0.122 1.00 73.22 C ATOM 1196 OD1 ASP A 74 -3.378 10.382 0.713 1.00 32.21 O ATOM 1197 OD2 ASP A 74 -3.856 8.327 0.106 1.00 11.14 O ATOM 0 H ASP A 74 -1.342 10.004 -3.498 1.00 11.13 H new ATOM 0 HA ASP A 74 -0.758 10.150 -0.736 1.00 11.03 H new ATOM 0 HB2 ASP A 74 -2.935 10.731 -1.783 1.00 30.30 H new ATOM 0 HB3 ASP A 74 -3.181 9.052 -2.218 1.00 30.30 H new ATOM 1202 N THR A 75 -1.027 7.151 -2.074 1.00 52.05 N ATOM 1203 CA THR A 75 -0.765 5.735 -1.865 1.00 2.00 C ATOM 1204 C THR A 75 0.704 5.489 -1.505 1.00 61.35 C ATOM 1205 O THR A 75 1.011 4.666 -0.642 1.00 50.21 O ATOM 1206 CB THR A 75 -1.137 4.928 -3.122 1.00 74.12 C ATOM 1207 OG1 THR A 75 -2.457 5.292 -3.546 1.00 15.22 O ATOM 1208 CG2 THR A 75 -1.086 3.432 -2.849 1.00 53.11 C ATOM 0 H THR A 75 -1.317 7.388 -3.023 1.00 52.05 H new ATOM 0 HA THR A 75 -1.383 5.403 -1.031 1.00 2.00 H new ATOM 0 HB THR A 75 -0.415 5.157 -3.905 1.00 74.12 H new ATOM 0 HG1 THR A 75 -2.435 6.181 -3.958 1.00 15.22 H new ATOM 0 HG21 THR A 75 -1.353 2.888 -3.755 1.00 53.11 H new ATOM 0 HG22 THR A 75 -0.078 3.152 -2.542 1.00 53.11 H new ATOM 0 HG23 THR A 75 -1.790 3.183 -2.055 1.00 53.11 H new ATOM 1216 N LEU A 76 1.608 6.213 -2.160 1.00 62.33 N ATOM 1217 CA LEU A 76 3.035 6.112 -1.859 1.00 42.43 C ATOM 1218 C LEU A 76 3.309 6.521 -0.415 1.00 33.44 C ATOM 1219 O LEU A 76 4.053 5.852 0.299 1.00 72.51 O ATOM 1220 CB LEU A 76 3.853 6.986 -2.813 1.00 41.20 C ATOM 1221 CG LEU A 76 3.797 6.570 -4.283 1.00 22.33 C ATOM 1222 CD1 LEU A 76 4.600 7.533 -5.141 1.00 24.12 C ATOM 1223 CD2 LEU A 76 4.312 5.151 -4.455 1.00 51.40 C ATOM 0 H LEU A 76 1.379 6.875 -2.901 1.00 62.33 H new ATOM 0 HA LEU A 76 3.335 5.073 -1.993 1.00 42.43 H new ATOM 0 HB2 LEU A 76 3.503 8.015 -2.729 1.00 41.20 H new ATOM 0 HB3 LEU A 76 4.893 6.976 -2.488 1.00 41.20 H new ATOM 0 HG LEU A 76 2.757 6.602 -4.609 1.00 22.33 H new ATOM 0 HD11 LEU A 76 4.548 7.221 -6.184 1.00 24.12 H new ATOM 0 HD12 LEU A 76 4.189 8.538 -5.042 1.00 24.12 H new ATOM 0 HD13 LEU A 76 5.640 7.532 -4.813 1.00 24.12 H new ATOM 0 HD21 LEU A 76 4.265 4.872 -5.508 1.00 51.40 H new ATOM 0 HD22 LEU A 76 5.345 5.094 -4.111 1.00 51.40 H new ATOM 0 HD23 LEU A 76 3.697 4.467 -3.870 1.00 51.40 H new ATOM 1235 N ARG A 77 2.692 7.620 0.004 1.00 3.04 N ATOM 1236 CA ARG A 77 2.801 8.098 1.380 1.00 50.33 C ATOM 1237 C ARG A 77 2.221 7.064 2.345 1.00 34.15 C ATOM 1238 O ARG A 77 2.755 6.831 3.431 1.00 42.23 O ATOM 1239 CB ARG A 77 2.052 9.428 1.515 1.00 1.22 C ATOM 1240 CG ARG A 77 2.080 10.035 2.910 1.00 5.43 C ATOM 1241 CD ARG A 77 1.216 11.285 2.975 1.00 32.21 C ATOM 1242 NE ARG A 77 1.228 11.910 4.296 1.00 72.11 N ATOM 1243 CZ ARG A 77 0.208 12.600 4.803 1.00 11.33 C ATOM 1244 NH1 ARG A 77 -0.923 12.730 4.117 1.00 21.52 N ATOM 1245 NH2 ARG A 77 0.324 13.155 6.004 1.00 22.51 N ATOM 0 H ARG A 77 2.106 8.202 -0.594 1.00 3.04 H new ATOM 0 HA ARG A 77 3.852 8.249 1.628 1.00 50.33 H new ATOM 0 HB2 ARG A 77 2.481 10.144 0.814 1.00 1.22 H new ATOM 0 HB3 ARG A 77 1.014 9.276 1.220 1.00 1.22 H new ATOM 0 HG2 ARG A 77 1.724 9.304 3.636 1.00 5.43 H new ATOM 0 HG3 ARG A 77 3.106 10.282 3.183 1.00 5.43 H new ATOM 0 HD2 ARG A 77 1.567 12.003 2.234 1.00 32.21 H new ATOM 0 HD3 ARG A 77 0.191 11.028 2.708 1.00 32.21 H new ATOM 0 HE ARG A 77 2.069 11.812 4.865 1.00 72.11 H new ATOM 0 HH11 ARG A 77 -1.013 12.300 3.197 1.00 21.52 H new ATOM 0 HH12 ARG A 77 -1.700 13.260 4.511 1.00 21.52 H new ATOM 0 HH21 ARG A 77 1.190 13.051 6.532 1.00 22.51 H new ATOM 0 HH22 ARG A 77 -0.453 13.685 6.398 1.00 22.51 H new ATOM 1259 N TRP A 78 1.130 6.449 1.917 1.00 71.34 N ATOM 1260 CA TRP A 78 0.428 5.441 2.699 1.00 10.01 C ATOM 1261 C TRP A 78 1.302 4.204 2.910 1.00 73.32 C ATOM 1262 O TRP A 78 1.503 3.754 4.040 1.00 71.10 O ATOM 1263 CB TRP A 78 -0.855 5.065 1.958 1.00 63.45 C ATOM 1264 CG TRP A 78 -1.903 4.431 2.815 1.00 62.13 C ATOM 1265 CD1 TRP A 78 -2.225 3.108 2.879 1.00 50.44 C ATOM 1266 CD2 TRP A 78 -2.783 5.106 3.714 1.00 34.24 C ATOM 1267 NE1 TRP A 78 -3.255 2.920 3.767 1.00 12.30 N ATOM 1268 CE2 TRP A 78 -3.613 4.133 4.292 1.00 51.14 C ATOM 1269 CE3 TRP A 78 -2.947 6.442 4.088 1.00 35.30 C ATOM 1270 CZ2 TRP A 78 -4.596 4.455 5.223 1.00 2.24 C ATOM 1271 CZ3 TRP A 78 -3.920 6.760 5.013 1.00 2.34 C ATOM 1272 CH2 TRP A 78 -4.734 5.770 5.571 1.00 52.41 C ATOM 0 H TRP A 78 0.703 6.636 1.010 1.00 71.34 H new ATOM 0 HA TRP A 78 0.189 5.845 3.683 1.00 10.01 H new ATOM 0 HB2 TRP A 78 -1.272 5.962 1.501 1.00 63.45 H new ATOM 0 HB3 TRP A 78 -0.604 4.381 1.147 1.00 63.45 H new ATOM 0 HD1 TRP A 78 -1.742 2.324 2.315 1.00 50.44 H new ATOM 0 HE1 TRP A 78 -3.683 2.024 3.998 1.00 12.30 H new ATOM 0 HE3 TRP A 78 -2.323 7.213 3.660 1.00 35.30 H new ATOM 0 HZ2 TRP A 78 -5.228 3.693 5.655 1.00 2.24 H new ATOM 0 HZ3 TRP A 78 -4.055 7.789 5.310 1.00 2.34 H new ATOM 0 HH2 TRP A 78 -5.488 6.050 6.292 1.00 52.41 H new ATOM 1283 N LEU A 79 1.829 3.669 1.814 1.00 72.31 N ATOM 1284 CA LEU A 79 2.650 2.463 1.856 1.00 10.22 C ATOM 1285 C LEU A 79 3.973 2.718 2.567 1.00 11.05 C ATOM 1286 O LEU A 79 4.513 1.828 3.225 1.00 12.03 O ATOM 1287 CB LEU A 79 2.912 1.953 0.437 1.00 2.24 C ATOM 1288 CG LEU A 79 1.664 1.555 -0.351 1.00 74.34 C ATOM 1289 CD1 LEU A 79 2.040 1.118 -1.759 1.00 10.21 C ATOM 1290 CD2 LEU A 79 0.905 0.450 0.372 1.00 51.00 C ATOM 0 H LEU A 79 1.701 4.055 0.878 1.00 72.31 H new ATOM 0 HA LEU A 79 2.103 1.706 2.417 1.00 10.22 H new ATOM 0 HB2 LEU A 79 3.442 2.727 -0.118 1.00 2.24 H new ATOM 0 HB3 LEU A 79 3.576 1.091 0.495 1.00 2.24 H new ATOM 0 HG LEU A 79 1.011 2.424 -0.426 1.00 74.34 H new ATOM 0 HD11 LEU A 79 1.140 0.838 -2.306 1.00 10.21 H new ATOM 0 HD12 LEU A 79 2.537 1.940 -2.275 1.00 10.21 H new ATOM 0 HD13 LEU A 79 2.713 0.262 -1.707 1.00 10.21 H new ATOM 0 HD21 LEU A 79 0.020 0.180 -0.204 1.00 51.00 H new ATOM 0 HD22 LEU A 79 1.548 -0.423 0.479 1.00 51.00 H new ATOM 0 HD23 LEU A 79 0.603 0.802 1.359 1.00 51.00 H new ATOM 1302 N LYS A 80 4.491 3.931 2.415 1.00 63.21 N ATOM 1303 CA LYS A 80 5.726 4.343 3.068 1.00 70.53 C ATOM 1304 C LYS A 80 5.674 4.047 4.563 1.00 74.30 C ATOM 1305 O LYS A 80 6.495 3.299 5.096 1.00 32.34 O ATOM 1306 CB LYS A 80 5.941 5.844 2.835 1.00 12.45 C ATOM 1307 CG LYS A 80 7.254 6.387 3.371 1.00 71.12 C ATOM 1308 CD LYS A 80 8.436 5.636 2.792 1.00 52.22 C ATOM 1309 CE LYS A 80 8.914 4.538 3.729 1.00 75.33 C ATOM 1310 NZ LYS A 80 9.928 5.029 4.699 1.00 11.24 N ATOM 0 H LYS A 80 4.067 4.656 1.836 1.00 63.21 H new ATOM 0 HA LYS A 80 6.557 3.781 2.642 1.00 70.53 H new ATOM 0 HB2 LYS A 80 5.891 6.043 1.764 1.00 12.45 H new ATOM 0 HB3 LYS A 80 5.121 6.391 3.299 1.00 12.45 H new ATOM 0 HG2 LYS A 80 7.339 7.446 3.128 1.00 71.12 H new ATOM 0 HG3 LYS A 80 7.267 6.307 4.458 1.00 71.12 H new ATOM 0 HD2 LYS A 80 8.157 5.201 1.833 1.00 52.22 H new ATOM 0 HD3 LYS A 80 9.252 6.333 2.600 1.00 52.22 H new ATOM 0 HE2 LYS A 80 8.062 4.130 4.272 1.00 75.33 H new ATOM 0 HE3 LYS A 80 9.339 3.723 3.144 1.00 75.33 H new ATOM 0 HZ1 LYS A 80 10.225 4.247 5.317 1.00 11.24 H new ATOM 0 HZ2 LYS A 80 10.754 5.395 4.183 1.00 11.24 H new ATOM 0 HZ3 LYS A 80 9.516 5.789 5.277 1.00 11.24 H new ATOM 1324 N ARG A 81 4.702 4.645 5.216 1.00 31.24 N ATOM 1325 CA ARG A 81 4.470 4.439 6.642 1.00 2.35 C ATOM 1326 C ARG A 81 4.235 2.964 6.949 1.00 12.04 C ATOM 1327 O ARG A 81 4.836 2.403 7.866 1.00 13.05 O ATOM 1328 CB ARG A 81 3.245 5.232 7.092 1.00 15.03 C ATOM 1329 CG ARG A 81 3.249 6.677 6.636 1.00 0.11 C ATOM 1330 CD ARG A 81 1.942 7.366 6.988 1.00 15.25 C ATOM 1331 NE ARG A 81 1.792 7.570 8.432 1.00 31.25 N ATOM 1332 CZ ARG A 81 0.674 8.006 9.018 1.00 33.52 C ATOM 1333 NH1 ARG A 81 -0.399 8.289 8.287 1.00 30.33 N ATOM 1334 NH2 ARG A 81 0.623 8.158 10.337 1.00 61.43 N ATOM 0 H ARG A 81 4.045 5.291 4.779 1.00 31.24 H new ATOM 0 HA ARG A 81 5.356 4.780 7.177 1.00 2.35 H new ATOM 0 HB2 ARG A 81 2.348 4.743 6.712 1.00 15.03 H new ATOM 0 HB3 ARG A 81 3.186 5.205 8.180 1.00 15.03 H new ATOM 0 HG2 ARG A 81 4.080 7.206 7.103 1.00 0.11 H new ATOM 0 HG3 ARG A 81 3.408 6.721 5.559 1.00 0.11 H new ATOM 0 HD2 ARG A 81 1.893 8.329 6.480 1.00 15.25 H new ATOM 0 HD3 ARG A 81 1.108 6.769 6.619 1.00 15.25 H new ATOM 0 HE ARG A 81 2.594 7.366 9.028 1.00 31.25 H new ATOM 0 HH11 ARG A 81 -0.371 8.173 7.274 1.00 30.33 H new ATOM 0 HH12 ARG A 81 -1.251 8.622 8.739 1.00 30.33 H new ATOM 0 HH21 ARG A 81 1.440 7.941 10.907 1.00 61.43 H new ATOM 0 HH22 ARG A 81 -0.234 8.491 10.779 1.00 61.43 H new ATOM 1348 N MET A 82 3.346 2.358 6.171 1.00 34.12 N ATOM 1349 CA MET A 82 2.944 0.965 6.377 1.00 24.11 C ATOM 1350 C MET A 82 4.135 0.005 6.373 1.00 2.15 C ATOM 1351 O MET A 82 4.300 -0.793 7.297 1.00 13.25 O ATOM 1352 CB MET A 82 1.945 0.544 5.299 1.00 23.54 C ATOM 1353 CG MET A 82 1.456 -0.890 5.440 1.00 64.43 C ATOM 1354 SD MET A 82 0.298 -1.360 4.139 1.00 62.33 S ATOM 1355 CE MET A 82 -1.005 -0.157 4.389 1.00 1.24 C ATOM 0 H MET A 82 2.884 2.812 5.383 1.00 34.12 H new ATOM 0 HA MET A 82 2.480 0.909 7.362 1.00 24.11 H new ATOM 0 HB2 MET A 82 1.087 1.215 5.330 1.00 23.54 H new ATOM 0 HB3 MET A 82 2.409 0.665 4.320 1.00 23.54 H new ATOM 0 HG2 MET A 82 2.312 -1.565 5.421 1.00 64.43 H new ATOM 0 HG3 MET A 82 0.975 -1.012 6.411 1.00 64.43 H new ATOM 0 HE1 MET A 82 -1.952 -0.567 4.037 1.00 1.24 H new ATOM 0 HE2 MET A 82 -1.084 0.079 5.450 1.00 1.24 H new ATOM 0 HE3 MET A 82 -0.774 0.751 3.832 1.00 1.24 H new ATOM 1365 N PHE A 83 4.968 0.085 5.341 1.00 34.53 N ATOM 1366 CA PHE A 83 6.091 -0.838 5.200 1.00 13.32 C ATOM 1367 C PHE A 83 7.201 -0.517 6.193 1.00 11.20 C ATOM 1368 O PHE A 83 7.993 -1.389 6.553 1.00 22.51 O ATOM 1369 CB PHE A 83 6.636 -0.824 3.771 1.00 15.43 C ATOM 1370 CG PHE A 83 5.694 -1.425 2.765 1.00 32.44 C ATOM 1371 CD1 PHE A 83 5.198 -2.706 2.944 1.00 12.00 C ATOM 1372 CD2 PHE A 83 5.309 -0.714 1.643 1.00 73.50 C ATOM 1373 CE1 PHE A 83 4.333 -3.264 2.023 1.00 74.14 C ATOM 1374 CE2 PHE A 83 4.444 -1.265 0.717 1.00 70.43 C ATOM 1375 CZ PHE A 83 3.956 -2.543 0.908 1.00 14.34 C ATOM 0 H PHE A 83 4.889 0.775 4.594 1.00 34.53 H new ATOM 0 HA PHE A 83 5.720 -1.839 5.419 1.00 13.32 H new ATOM 0 HB2 PHE A 83 6.854 0.205 3.484 1.00 15.43 H new ATOM 0 HB3 PHE A 83 7.579 -1.369 3.745 1.00 15.43 H new ATOM 0 HD1 PHE A 83 5.491 -3.275 3.814 1.00 12.00 H new ATOM 0 HD2 PHE A 83 5.689 0.285 1.489 1.00 73.50 H new ATOM 0 HE1 PHE A 83 3.952 -4.263 2.175 1.00 74.14 H new ATOM 0 HE2 PHE A 83 4.150 -0.698 -0.154 1.00 70.43 H new ATOM 0 HZ PHE A 83 3.280 -2.977 0.186 1.00 14.34 H new ATOM 1385 N ASN A 84 7.256 0.731 6.639 1.00 4.43 N ATOM 1386 CA ASN A 84 8.259 1.141 7.616 1.00 34.24 C ATOM 1387 C ASN A 84 8.017 0.435 8.949 1.00 71.45 C ATOM 1388 O ASN A 84 8.953 0.160 9.701 1.00 4.43 O ATOM 1389 CB ASN A 84 8.245 2.661 7.808 1.00 14.03 C ATOM 1390 CG ASN A 84 9.374 3.139 8.701 1.00 11.31 C ATOM 1391 OD1 ASN A 84 10.486 3.385 8.234 1.00 33.24 O ATOM 1392 ND2 ASN A 84 9.094 3.293 9.987 1.00 43.23 N ATOM 0 H ASN A 84 6.623 1.474 6.343 1.00 4.43 H new ATOM 0 HA ASN A 84 9.241 0.855 7.239 1.00 34.24 H new ATOM 0 HB2 ASN A 84 8.322 3.148 6.836 1.00 14.03 H new ATOM 0 HB3 ASN A 84 7.291 2.962 8.240 1.00 14.03 H new ATOM 0 HD21 ASN A 84 9.813 3.627 10.629 1.00 43.23 H new ATOM 0 HD22 ASN A 84 8.160 3.078 10.335 1.00 43.23 H new ATOM 1399 N TYR A 85 6.753 0.124 9.224 1.00 14.42 N ATOM 1400 CA TYR A 85 6.385 -0.606 10.433 1.00 5.32 C ATOM 1401 C TYR A 85 7.034 -1.988 10.433 1.00 25.23 C ATOM 1402 O TYR A 85 7.464 -2.486 11.478 1.00 63.22 O ATOM 1403 CB TYR A 85 4.858 -0.733 10.535 1.00 65.21 C ATOM 1404 CG TYR A 85 4.379 -1.536 11.729 1.00 44.14 C ATOM 1405 CD1 TYR A 85 4.197 -0.937 12.970 1.00 73.44 C ATOM 1406 CD2 TYR A 85 4.109 -2.894 11.611 1.00 51.04 C ATOM 1407 CE1 TYR A 85 3.761 -1.670 14.058 1.00 41.40 C ATOM 1408 CE2 TYR A 85 3.673 -3.633 12.692 1.00 51.31 C ATOM 1409 CZ TYR A 85 3.499 -3.018 13.913 1.00 33.42 C ATOM 1410 OH TYR A 85 3.071 -3.754 14.994 1.00 12.13 O ATOM 0 H TYR A 85 5.965 0.367 8.624 1.00 14.42 H new ATOM 0 HA TYR A 85 6.746 -0.052 11.299 1.00 5.32 H new ATOM 0 HB2 TYR A 85 4.424 0.266 10.585 1.00 65.21 H new ATOM 0 HB3 TYR A 85 4.482 -1.198 9.624 1.00 65.21 H new ATOM 0 HD1 TYR A 85 4.399 0.118 13.086 1.00 73.44 H new ATOM 0 HD2 TYR A 85 4.243 -3.380 10.656 1.00 51.04 H new ATOM 0 HE1 TYR A 85 3.626 -1.191 15.016 1.00 41.40 H new ATOM 0 HE2 TYR A 85 3.469 -4.688 12.582 1.00 51.31 H new ATOM 0 HH TYR A 85 2.504 -4.491 14.684 1.00 12.13 H new ATOM 1420 N ALA A 86 7.127 -2.587 9.250 1.00 54.31 N ATOM 1421 CA ALA A 86 7.718 -3.910 9.103 1.00 31.13 C ATOM 1422 C ALA A 86 9.214 -3.872 9.392 1.00 71.14 C ATOM 1423 O ALA A 86 9.796 -4.868 9.817 1.00 4.24 O ATOM 1424 CB ALA A 86 7.461 -4.457 7.706 1.00 3.03 C ATOM 0 H ALA A 86 6.799 -2.174 8.377 1.00 54.31 H new ATOM 0 HA ALA A 86 7.247 -4.574 9.828 1.00 31.13 H new ATOM 0 HB1 ALA A 86 7.910 -5.446 7.614 1.00 3.03 H new ATOM 0 HB2 ALA A 86 6.387 -4.529 7.535 1.00 3.03 H new ATOM 0 HB3 ALA A 86 7.902 -3.789 6.967 1.00 3.03 H new ATOM 1430 N ILE A 87 9.827 -2.714 9.165 1.00 75.44 N ATOM 1431 CA ILE A 87 11.248 -2.531 9.436 1.00 43.15 C ATOM 1432 C ILE A 87 11.500 -2.483 10.941 1.00 4.11 C ATOM 1433 O ILE A 87 12.455 -3.075 11.439 1.00 63.14 O ATOM 1434 CB ILE A 87 11.790 -1.238 8.789 1.00 21.53 C ATOM 1435 CG1 ILE A 87 11.474 -1.216 7.291 1.00 2.03 C ATOM 1436 CG2 ILE A 87 13.293 -1.116 9.012 1.00 62.32 C ATOM 1437 CD1 ILE A 87 11.919 0.054 6.599 1.00 64.45 C ATOM 0 H ILE A 87 9.360 -1.887 8.793 1.00 75.44 H new ATOM 0 HA ILE A 87 11.772 -3.381 9.000 1.00 43.15 H new ATOM 0 HB ILE A 87 11.299 -0.387 9.262 1.00 21.53 H new ATOM 0 HG12 ILE A 87 11.956 -2.069 6.813 1.00 2.03 H new ATOM 0 HG13 ILE A 87 10.400 -1.339 7.152 1.00 2.03 H new ATOM 0 HG21 ILE A 87 13.656 -0.199 8.549 1.00 62.32 H new ATOM 0 HG22 ILE A 87 13.501 -1.089 10.082 1.00 62.32 H new ATOM 0 HG23 ILE A 87 13.798 -1.973 8.565 1.00 62.32 H new ATOM 0 HD11 ILE A 87 11.663 0.000 5.541 1.00 64.45 H new ATOM 0 HD12 ILE A 87 11.417 0.910 7.051 1.00 64.45 H new ATOM 0 HD13 ILE A 87 12.998 0.168 6.706 1.00 64.45 H new ATOM 1449 N LYS A 88 10.625 -1.788 11.660 1.00 23.44 N ATOM 1450 CA LYS A 88 10.740 -1.672 13.113 1.00 54.43 C ATOM 1451 C LYS A 88 10.563 -3.034 13.764 1.00 74.45 C ATOM 1452 O LYS A 88 11.281 -3.397 14.694 1.00 33.44 O ATOM 1453 CB LYS A 88 9.686 -0.713 13.649 1.00 51.03 C ATOM 1454 CG LYS A 88 9.524 0.527 12.796 1.00 62.31 C ATOM 1455 CD LYS A 88 8.599 1.538 13.436 1.00 73.44 C ATOM 1456 CE LYS A 88 7.232 0.956 13.755 1.00 70.34 C ATOM 1457 NZ LYS A 88 6.362 1.956 14.426 1.00 73.35 N ATOM 0 H LYS A 88 9.826 -1.295 11.261 1.00 23.44 H new ATOM 0 HA LYS A 88 11.731 -1.286 13.351 1.00 54.43 H new ATOM 0 HB2 LYS A 88 8.729 -1.232 13.711 1.00 51.03 H new ATOM 0 HB3 LYS A 88 9.955 -0.417 14.663 1.00 51.03 H new ATOM 0 HG2 LYS A 88 10.500 0.983 12.630 1.00 62.31 H new ATOM 0 HG3 LYS A 88 9.133 0.246 11.818 1.00 62.31 H new ATOM 0 HD2 LYS A 88 9.054 1.912 14.353 1.00 73.44 H new ATOM 0 HD3 LYS A 88 8.480 2.391 12.768 1.00 73.44 H new ATOM 0 HE2 LYS A 88 6.756 0.616 12.835 1.00 70.34 H new ATOM 0 HE3 LYS A 88 7.347 0.082 14.397 1.00 70.34 H new ATOM 0 HZ1 LYS A 88 5.436 1.529 14.631 1.00 73.35 H new ATOM 0 HZ2 LYS A 88 6.806 2.262 15.315 1.00 73.35 H new ATOM 0 HZ3 LYS A 88 6.233 2.778 13.802 1.00 73.35 H new ATOM 1471 N ARG A 89 9.596 -3.778 13.251 1.00 41.23 N ATOM 1472 CA ARG A 89 9.379 -5.167 13.673 1.00 42.12 C ATOM 1473 C ARG A 89 10.529 -6.063 13.203 1.00 14.43 C ATOM 1474 O ARG A 89 10.671 -7.199 13.655 1.00 13.05 O ATOM 1475 CB ARG A 89 8.066 -5.699 13.098 1.00 2.14 C ATOM 1476 CG ARG A 89 6.812 -5.173 13.776 1.00 34.31 C ATOM 1477 CD ARG A 89 6.640 -5.750 15.174 1.00 44.42 C ATOM 1478 NE ARG A 89 5.285 -5.545 15.688 1.00 72.54 N ATOM 1479 CZ ARG A 89 4.816 -6.091 16.809 1.00 23.42 C ATOM 1480 NH1 ARG A 89 5.606 -6.816 17.592 1.00 55.41 N ATOM 1481 NH2 ARG A 89 3.553 -5.894 17.157 1.00 53.15 N ATOM 0 H ARG A 89 8.943 -3.449 12.539 1.00 41.23 H new ATOM 0 HA ARG A 89 9.334 -5.182 14.762 1.00 42.12 H new ATOM 0 HB2 ARG A 89 8.022 -5.447 12.038 1.00 2.14 H new ATOM 0 HB3 ARG A 89 8.070 -6.787 13.167 1.00 2.14 H new ATOM 0 HG2 ARG A 89 6.860 -4.086 13.835 1.00 34.31 H new ATOM 0 HG3 ARG A 89 5.940 -5.421 13.171 1.00 34.31 H new ATOM 0 HD2 ARG A 89 6.864 -6.817 15.156 1.00 44.42 H new ATOM 0 HD3 ARG A 89 7.358 -5.285 15.849 1.00 44.42 H new ATOM 0 HE ARG A 89 4.658 -4.944 15.152 1.00 72.54 H new ATOM 0 HH11 ARG A 89 6.583 -6.960 17.338 1.00 55.41 H new ATOM 0 HH12 ARG A 89 5.236 -7.229 18.448 1.00 55.41 H new ATOM 0 HH21 ARG A 89 2.944 -5.326 16.568 1.00 53.15 H new ATOM 0 HH22 ARG A 89 3.189 -6.310 18.014 1.00 53.15 H new ATOM 1495 N HIS A 90 11.329 -5.530 12.281 1.00 24.13 N ATOM 1496 CA HIS A 90 12.494 -6.214 11.719 1.00 14.43 C ATOM 1497 C HIS A 90 12.074 -7.428 10.897 1.00 11.04 C ATOM 1498 O HIS A 90 12.824 -8.394 10.756 1.00 64.31 O ATOM 1499 CB HIS A 90 13.484 -6.620 12.815 1.00 65.21 C ATOM 1500 CG HIS A 90 14.875 -6.819 12.300 1.00 43.03 C ATOM 1501 ND1 HIS A 90 15.540 -8.023 12.346 1.00 3.24 N ATOM 1502 CD2 HIS A 90 15.726 -5.946 11.722 1.00 42.11 C ATOM 1503 CE1 HIS A 90 16.743 -7.877 11.824 1.00 71.32 C ATOM 1504 NE2 HIS A 90 16.884 -6.626 11.436 1.00 11.32 N ATOM 0 H HIS A 90 11.184 -4.596 11.897 1.00 24.13 H new ATOM 0 HA HIS A 90 12.998 -5.511 11.055 1.00 14.43 H new ATOM 0 HB2 HIS A 90 13.495 -5.853 13.589 1.00 65.21 H new ATOM 0 HB3 HIS A 90 13.141 -7.542 13.284 1.00 65.21 H new ATOM 0 HD2 HIS A 90 15.532 -4.903 11.521 1.00 42.11 H new ATOM 0 HE1 HIS A 90 17.488 -8.654 11.730 1.00 71.32 H new ATOM 0 HE2 HIS A 90 17.714 -6.229 10.997 1.00 11.32 H new ATOM 1513 N ILE A 91 10.879 -7.358 10.331 1.00 50.24 N ATOM 1514 CA ILE A 91 10.392 -8.405 9.447 1.00 4.44 C ATOM 1515 C ILE A 91 11.125 -8.303 8.119 1.00 3.34 C ATOM 1516 O ILE A 91 11.785 -9.244 7.681 1.00 51.15 O ATOM 1517 CB ILE A 91 8.871 -8.294 9.211 1.00 23.50 C ATOM 1518 CG1 ILE A 91 8.124 -8.317 10.550 1.00 22.42 C ATOM 1519 CG2 ILE A 91 8.387 -9.427 8.310 1.00 63.22 C ATOM 1520 CD1 ILE A 91 6.631 -8.101 10.418 1.00 3.02 C ATOM 0 H ILE A 91 10.228 -6.585 10.469 1.00 50.24 H new ATOM 0 HA ILE A 91 10.581 -9.370 9.917 1.00 4.44 H new ATOM 0 HB ILE A 91 8.664 -7.347 8.713 1.00 23.50 H new ATOM 0 HG12 ILE A 91 8.302 -9.275 11.039 1.00 22.42 H new ATOM 0 HG13 ILE A 91 8.538 -7.546 11.200 1.00 22.42 H new ATOM 0 HG21 ILE A 91 7.312 -9.334 8.154 1.00 63.22 H new ATOM 0 HG22 ILE A 91 8.899 -9.372 7.350 1.00 63.22 H new ATOM 0 HG23 ILE A 91 8.603 -10.385 8.782 1.00 63.22 H new ATOM 0 HD11 ILE A 91 6.170 -8.130 11.405 1.00 3.02 H new ATOM 0 HD12 ILE A 91 6.443 -7.131 9.959 1.00 3.02 H new ATOM 0 HD13 ILE A 91 6.203 -8.886 9.795 1.00 3.02 H new ATOM 1532 N ILE A 92 11.019 -7.137 7.499 1.00 13.10 N ATOM 1533 CA ILE A 92 11.788 -6.824 6.309 1.00 13.01 C ATOM 1534 C ILE A 92 12.470 -5.478 6.498 1.00 55.11 C ATOM 1535 O ILE A 92 11.862 -4.527 6.986 1.00 44.00 O ATOM 1536 CB ILE A 92 10.927 -6.782 5.019 1.00 60.14 C ATOM 1537 CG1 ILE A 92 9.870 -5.674 5.096 1.00 11.41 C ATOM 1538 CG2 ILE A 92 10.265 -8.132 4.778 1.00 72.51 C ATOM 1539 CD1 ILE A 92 9.146 -5.431 3.790 1.00 42.21 C ATOM 0 H ILE A 92 10.400 -6.387 7.806 1.00 13.10 H new ATOM 0 HA ILE A 92 12.518 -7.623 6.179 1.00 13.01 H new ATOM 0 HB ILE A 92 11.587 -6.561 4.180 1.00 60.14 H new ATOM 0 HG12 ILE A 92 9.140 -5.933 5.863 1.00 11.41 H new ATOM 0 HG13 ILE A 92 10.350 -4.748 5.413 1.00 11.41 H new ATOM 0 HG21 ILE A 92 9.665 -8.086 3.869 1.00 72.51 H new ATOM 0 HG22 ILE A 92 11.032 -8.899 4.668 1.00 72.51 H new ATOM 0 HG23 ILE A 92 9.624 -8.379 5.624 1.00 72.51 H new ATOM 0 HD11 ILE A 92 8.414 -4.634 3.922 1.00 42.21 H new ATOM 0 HD12 ILE A 92 9.865 -5.140 3.024 1.00 42.21 H new ATOM 0 HD13 ILE A 92 8.636 -6.344 3.481 1.00 42.21 H new ATOM 1551 N GLU A 93 13.734 -5.401 6.137 1.00 55.32 N ATOM 1552 CA GLU A 93 14.473 -4.160 6.261 1.00 31.53 C ATOM 1553 C GLU A 93 14.759 -3.611 4.866 1.00 52.22 C ATOM 1554 O GLU A 93 15.779 -2.968 4.619 1.00 73.20 O ATOM 1555 CB GLU A 93 15.768 -4.406 7.042 1.00 13.12 C ATOM 1556 CG GLU A 93 16.356 -3.152 7.668 1.00 61.10 C ATOM 1557 CD GLU A 93 17.547 -3.447 8.553 1.00 35.23 C ATOM 1558 OE1 GLU A 93 17.351 -3.696 9.760 1.00 34.31 O ATOM 1559 OE2 GLU A 93 18.687 -3.432 8.047 1.00 61.11 O ATOM 0 H GLU A 93 14.271 -6.180 5.756 1.00 55.32 H new ATOM 0 HA GLU A 93 13.887 -3.423 6.810 1.00 31.53 H new ATOM 0 HB2 GLU A 93 15.574 -5.136 7.828 1.00 13.12 H new ATOM 0 HB3 GLU A 93 16.507 -4.847 6.373 1.00 13.12 H new ATOM 0 HG2 GLU A 93 16.656 -2.463 6.879 1.00 61.10 H new ATOM 0 HG3 GLU A 93 15.588 -2.649 8.255 1.00 61.10 H new ATOM 1566 N TYR A 94 13.828 -3.872 3.957 1.00 43.14 N ATOM 1567 CA TYR A 94 13.977 -3.475 2.562 1.00 74.43 C ATOM 1568 C TYR A 94 13.081 -2.285 2.231 1.00 13.52 C ATOM 1569 O TYR A 94 13.543 -1.306 1.648 1.00 3.45 O ATOM 1570 CB TYR A 94 13.649 -4.654 1.638 1.00 53.23 C ATOM 1571 CG TYR A 94 14.536 -5.863 1.855 1.00 41.14 C ATOM 1572 CD1 TYR A 94 15.739 -5.995 1.172 1.00 4.54 C ATOM 1573 CD2 TYR A 94 14.173 -6.868 2.744 1.00 10.54 C ATOM 1574 CE1 TYR A 94 16.555 -7.094 1.372 1.00 52.53 C ATOM 1575 CE2 TYR A 94 14.983 -7.969 2.948 1.00 43.40 C ATOM 1576 CZ TYR A 94 16.172 -8.077 2.261 1.00 51.53 C ATOM 1577 OH TYR A 94 16.988 -9.168 2.470 1.00 42.34 O ATOM 0 H TYR A 94 12.956 -4.360 4.163 1.00 43.14 H new ATOM 0 HA TYR A 94 15.013 -3.175 2.405 1.00 74.43 H new ATOM 0 HB2 TYR A 94 12.610 -4.945 1.790 1.00 53.23 H new ATOM 0 HB3 TYR A 94 13.741 -4.328 0.602 1.00 53.23 H new ATOM 0 HD1 TYR A 94 16.041 -5.228 0.474 1.00 4.54 H new ATOM 0 HD2 TYR A 94 13.242 -6.787 3.285 1.00 10.54 H new ATOM 0 HE1 TYR A 94 17.488 -7.182 0.835 1.00 52.53 H new ATOM 0 HE2 TYR A 94 14.685 -8.741 3.642 1.00 43.40 H new ATOM 0 HH TYR A 94 16.573 -9.766 3.126 1.00 42.34 H new ATOM 1587 N ASN A 95 11.804 -2.376 2.622 1.00 42.30 N ATOM 1588 CA ASN A 95 10.825 -1.340 2.372 1.00 73.13 C ATOM 1589 C ASN A 95 10.653 -1.086 0.870 1.00 33.13 C ATOM 1590 O ASN A 95 11.303 -0.214 0.296 1.00 12.20 O ATOM 1591 CB ASN A 95 11.207 -0.060 3.108 1.00 44.13 C ATOM 1592 CG ASN A 95 10.087 0.935 3.087 1.00 32.12 C ATOM 1593 OD1 ASN A 95 9.290 1.024 4.016 1.00 33.33 O ATOM 1594 ND2 ASN A 95 10.004 1.674 2.015 1.00 22.50 N ATOM 0 H ASN A 95 11.430 -3.181 3.124 1.00 42.30 H new ATOM 0 HA ASN A 95 9.863 -1.681 2.755 1.00 73.13 H new ATOM 0 HB2 ASN A 95 11.468 -0.295 4.140 1.00 44.13 H new ATOM 0 HB3 ASN A 95 12.093 0.377 2.647 1.00 44.13 H new ATOM 0 HD21 ASN A 95 9.254 2.360 1.925 1.00 22.50 H new ATOM 0 HD22 ASN A 95 10.689 1.566 1.267 1.00 22.50 H new ATOM 1601 N PRO A 96 9.771 -1.861 0.214 1.00 52.11 N ATOM 1602 CA PRO A 96 9.556 -1.783 -1.243 1.00 34.01 C ATOM 1603 C PRO A 96 9.127 -0.393 -1.709 1.00 44.51 C ATOM 1604 O PRO A 96 9.371 -0.009 -2.854 1.00 74.14 O ATOM 1605 CB PRO A 96 8.434 -2.795 -1.504 1.00 54.35 C ATOM 1606 CG PRO A 96 7.805 -3.036 -0.174 1.00 31.34 C ATOM 1607 CD PRO A 96 8.903 -2.873 0.835 1.00 4.32 C ATOM 0 HA PRO A 96 10.477 -1.992 -1.788 1.00 34.01 H new ATOM 0 HB2 PRO A 96 7.709 -2.403 -2.217 1.00 54.35 H new ATOM 0 HB3 PRO A 96 8.828 -3.719 -1.926 1.00 54.35 H new ATOM 0 HG2 PRO A 96 6.997 -2.328 0.010 1.00 31.34 H new ATOM 0 HG3 PRO A 96 7.372 -4.035 -0.122 1.00 31.34 H new ATOM 0 HD2 PRO A 96 8.520 -2.540 1.799 1.00 4.32 H new ATOM 0 HD3 PRO A 96 9.434 -3.809 1.009 1.00 4.32 H new ATOM 1615 N ALA A 97 8.512 0.370 -0.811 1.00 62.13 N ATOM 1616 CA ALA A 97 8.014 1.701 -1.141 1.00 30.23 C ATOM 1617 C ALA A 97 9.144 2.728 -1.197 1.00 71.12 C ATOM 1618 O ALA A 97 8.904 3.913 -1.399 1.00 3.22 O ATOM 1619 CB ALA A 97 6.960 2.132 -0.133 1.00 62.34 C ATOM 0 H ALA A 97 8.346 0.088 0.155 1.00 62.13 H new ATOM 0 HA ALA A 97 7.563 1.651 -2.132 1.00 30.23 H new ATOM 0 HB1 ALA A 97 6.596 3.127 -0.390 1.00 62.34 H new ATOM 0 HB2 ALA A 97 6.130 1.426 -0.151 1.00 62.34 H new ATOM 0 HB3 ALA A 97 7.398 2.152 0.865 1.00 62.34 H new ATOM 1625 N ALA A 98 10.376 2.269 -1.014 1.00 5.22 N ATOM 1626 CA ALA A 98 11.533 3.151 -1.084 1.00 70.13 C ATOM 1627 C ALA A 98 11.890 3.462 -2.534 1.00 52.22 C ATOM 1628 O ALA A 98 12.670 4.374 -2.812 1.00 4.30 O ATOM 1629 CB ALA A 98 12.723 2.533 -0.365 1.00 21.23 C ATOM 0 H ALA A 98 10.599 1.293 -0.816 1.00 5.22 H new ATOM 0 HA ALA A 98 11.276 4.086 -0.586 1.00 70.13 H new ATOM 0 HB1 ALA A 98 13.577 3.207 -0.429 1.00 21.23 H new ATOM 0 HB2 ALA A 98 12.469 2.367 0.682 1.00 21.23 H new ATOM 0 HB3 ALA A 98 12.976 1.581 -0.832 1.00 21.23 H new ATOM 1635 N ALA A 99 11.312 2.698 -3.454 1.00 63.33 N ATOM 1636 CA ALA A 99 11.591 2.870 -4.873 1.00 75.34 C ATOM 1637 C ALA A 99 10.856 4.083 -5.433 1.00 40.33 C ATOM 1638 O ALA A 99 11.408 4.843 -6.230 1.00 35.42 O ATOM 1639 CB ALA A 99 11.213 1.613 -5.640 1.00 55.41 C ATOM 0 H ALA A 99 10.648 1.954 -3.242 1.00 63.33 H new ATOM 0 HA ALA A 99 12.661 3.043 -4.992 1.00 75.34 H new ATOM 0 HB1 ALA A 99 11.427 1.755 -6.699 1.00 55.41 H new ATOM 0 HB2 ALA A 99 11.791 0.769 -5.263 1.00 55.41 H new ATOM 0 HB3 ALA A 99 10.150 1.412 -5.508 1.00 55.41 H new ATOM 1645 N PHE A 100 9.623 4.277 -4.996 1.00 11.34 N ATOM 1646 CA PHE A 100 8.800 5.369 -5.493 1.00 43.52 C ATOM 1647 C PHE A 100 8.373 6.280 -4.354 1.00 23.21 C ATOM 1648 O PHE A 100 7.564 5.899 -3.511 1.00 74.11 O ATOM 1649 CB PHE A 100 7.568 4.827 -6.226 1.00 24.35 C ATOM 1650 CG PHE A 100 7.889 4.112 -7.508 1.00 0.41 C ATOM 1651 CD1 PHE A 100 8.053 4.823 -8.686 1.00 61.13 C ATOM 1652 CD2 PHE A 100 8.022 2.734 -7.537 1.00 53.13 C ATOM 1653 CE1 PHE A 100 8.344 4.171 -9.870 1.00 61.10 C ATOM 1654 CE2 PHE A 100 8.312 2.077 -8.716 1.00 43.42 C ATOM 1655 CZ PHE A 100 8.474 2.795 -9.883 1.00 63.33 C ATOM 0 H PHE A 100 9.168 3.691 -4.296 1.00 11.34 H new ATOM 0 HA PHE A 100 9.397 5.949 -6.197 1.00 43.52 H new ATOM 0 HB2 PHE A 100 7.035 4.145 -5.564 1.00 24.35 H new ATOM 0 HB3 PHE A 100 6.892 5.655 -6.442 1.00 24.35 H new ATOM 0 HD1 PHE A 100 7.952 5.898 -8.679 1.00 61.13 H new ATOM 0 HD2 PHE A 100 7.897 2.167 -6.627 1.00 53.13 H new ATOM 0 HE1 PHE A 100 8.469 4.735 -10.782 1.00 61.10 H new ATOM 0 HE2 PHE A 100 8.412 1.002 -8.725 1.00 43.42 H new ATOM 0 HZ PHE A 100 8.702 2.282 -10.806 1.00 63.33 H new