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 8 THR OG1 : rot 180:sc= 0.0109 USER MOD Set 1.2: A 11 GLN : amide:sc= -0.248 X(o=-0.24,f=-0.23) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -64:sc= -0.726 USER MOD Single : A 20 MET CE :methyl -136:sc= 0 (180deg=-0.429) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.56) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -172:sc= 1.09 (180deg=0.967) USER MOD Single : A 40 LYS NZ :NH3+ -135:sc= -0.498 (180deg=-3.19!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.00953 USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -0.0338 (180deg=-0.252) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 157:sc= -3.12 (180deg=-3.71!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0986 USER MOD Single : A 73 ASN : amide:sc= 0.603 K(o=0.6,f=0) USER MOD Single : A 75 THR OG1 : rot 70:sc= 1.28 USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= -0.0215 (180deg=-0.176) USER MOD Single : A 82 MET CE :methyl 173:sc= -0.693 (180deg=-0.808) USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 85 TYR OH : rot 165:sc= 0.473 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.11 K(o=0.11,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 91 N TYR A 7 3.730 -11.899 9.271 1.00 41.44 N ATOM 92 CA TYR A 7 2.403 -11.951 8.672 1.00 31.32 C ATOM 93 C TYR A 7 2.399 -11.364 7.263 1.00 24.32 C ATOM 94 O TYR A 7 3.389 -10.781 6.813 1.00 51.54 O ATOM 95 CB TYR A 7 1.387 -11.229 9.566 1.00 35.25 C ATOM 96 CG TYR A 7 1.892 -9.930 10.161 1.00 50.22 C ATOM 97 CD1 TYR A 7 1.830 -8.737 9.451 1.00 21.41 C ATOM 98 CD2 TYR A 7 2.429 -9.903 11.442 1.00 4.13 C ATOM 99 CE1 TYR A 7 2.291 -7.556 10.000 1.00 71.33 C ATOM 100 CE2 TYR A 7 2.891 -8.726 11.998 1.00 1.10 C ATOM 101 CZ TYR A 7 2.820 -7.555 11.273 1.00 43.12 C ATOM 102 OH TYR A 7 3.281 -6.381 11.826 1.00 32.40 O ATOM 0 HA TYR A 7 2.114 -12.999 8.589 1.00 31.32 H new ATOM 0 HB2 TYR A 7 0.489 -11.023 8.983 1.00 35.25 H new ATOM 0 HB3 TYR A 7 1.095 -11.897 10.376 1.00 35.25 H new ATOM 0 HD1 TYR A 7 1.415 -8.733 8.454 1.00 21.41 H new ATOM 0 HD2 TYR A 7 2.486 -10.818 12.013 1.00 4.13 H new ATOM 0 HE1 TYR A 7 2.237 -6.638 9.434 1.00 71.33 H new ATOM 0 HE2 TYR A 7 3.306 -8.723 12.995 1.00 1.10 H new ATOM 0 HH TYR A 7 3.620 -6.556 12.729 1.00 32.40 H new ATOM 112 N THR A 8 1.284 -11.535 6.570 1.00 14.53 N ATOM 113 CA THR A 8 1.157 -11.085 5.195 1.00 12.43 C ATOM 114 C THR A 8 0.751 -9.616 5.114 1.00 74.34 C ATOM 115 O THR A 8 0.490 -8.973 6.133 1.00 33.24 O ATOM 116 CB THR A 8 0.129 -11.943 4.437 1.00 2.42 C ATOM 117 OG1 THR A 8 -1.087 -12.026 5.192 1.00 50.12 O ATOM 118 CG2 THR A 8 0.670 -13.341 4.190 1.00 43.41 C ATOM 0 H THR A 8 0.448 -11.986 6.942 1.00 14.53 H new ATOM 0 HA THR A 8 2.137 -11.195 4.731 1.00 12.43 H new ATOM 0 HB THR A 8 -0.069 -11.471 3.475 1.00 2.42 H new ATOM 0 HG1 THR A 8 -1.738 -12.572 4.704 1.00 50.12 H new ATOM 0 HG21 THR A 8 -0.074 -13.929 3.653 1.00 43.41 H new ATOM 0 HG22 THR A 8 1.582 -13.279 3.596 1.00 43.41 H new ATOM 0 HG23 THR A 8 0.891 -13.819 5.144 1.00 43.41 H new ATOM 126 N VAL A 9 0.689 -9.098 3.892 1.00 12.32 N ATOM 127 CA VAL A 9 0.348 -7.702 3.665 1.00 22.10 C ATOM 128 C VAL A 9 -1.097 -7.412 4.086 1.00 64.23 C ATOM 129 O VAL A 9 -1.442 -6.276 4.401 1.00 41.32 O ATOM 130 CB VAL A 9 0.573 -7.303 2.186 1.00 73.42 C ATOM 131 CG1 VAL A 9 -0.357 -8.075 1.260 1.00 53.35 C ATOM 132 CG2 VAL A 9 0.418 -5.798 1.994 1.00 61.04 C ATOM 0 H VAL A 9 0.872 -9.629 3.041 1.00 12.32 H new ATOM 0 HA VAL A 9 1.012 -7.098 4.283 1.00 22.10 H new ATOM 0 HB VAL A 9 1.597 -7.568 1.922 1.00 73.42 H new ATOM 0 HG11 VAL A 9 -0.176 -7.773 0.228 1.00 53.35 H new ATOM 0 HG12 VAL A 9 -0.169 -9.144 1.364 1.00 53.35 H new ATOM 0 HG13 VAL A 9 -1.393 -7.861 1.524 1.00 53.35 H new ATOM 0 HG21 VAL A 9 0.581 -5.546 0.946 1.00 61.04 H new ATOM 0 HG22 VAL A 9 -0.587 -5.495 2.288 1.00 61.04 H new ATOM 0 HG23 VAL A 9 1.149 -5.275 2.611 1.00 61.04 H new ATOM 142 N ALA A 10 -1.940 -8.444 4.097 1.00 42.23 N ATOM 143 CA ALA A 10 -3.314 -8.294 4.560 1.00 35.45 C ATOM 144 C ALA A 10 -3.338 -7.978 6.048 1.00 73.32 C ATOM 145 O ALA A 10 -3.960 -7.009 6.476 1.00 2.02 O ATOM 146 CB ALA A 10 -4.123 -9.552 4.276 1.00 5.32 C ATOM 0 H ALA A 10 -1.695 -9.386 3.792 1.00 42.23 H new ATOM 0 HA ALA A 10 -3.768 -7.466 4.016 1.00 35.45 H new ATOM 0 HB1 ALA A 10 -5.145 -9.415 4.631 1.00 5.32 H new ATOM 0 HB2 ALA A 10 -4.134 -9.743 3.203 1.00 5.32 H new ATOM 0 HB3 ALA A 10 -3.671 -10.400 4.791 1.00 5.32 H new ATOM 152 N GLN A 11 -2.632 -8.793 6.823 1.00 53.32 N ATOM 153 CA GLN A 11 -2.543 -8.603 8.265 1.00 32.42 C ATOM 154 C GLN A 11 -1.797 -7.316 8.597 1.00 24.23 C ATOM 155 O GLN A 11 -2.111 -6.643 9.579 1.00 22.42 O ATOM 156 CB GLN A 11 -1.847 -9.799 8.917 1.00 11.34 C ATOM 157 CG GLN A 11 -2.771 -10.968 9.241 1.00 63.15 C ATOM 158 CD GLN A 11 -3.663 -11.376 8.085 1.00 61.52 C ATOM 159 OE1 GLN A 11 -3.279 -12.184 7.241 1.00 51.42 O ATOM 160 NE2 GLN A 11 -4.871 -10.833 8.053 1.00 63.12 N ATOM 0 H GLN A 11 -2.110 -9.597 6.474 1.00 53.32 H new ATOM 0 HA GLN A 11 -3.556 -8.525 8.661 1.00 32.42 H new ATOM 0 HB2 GLN A 11 -1.057 -10.150 8.253 1.00 11.34 H new ATOM 0 HB3 GLN A 11 -1.366 -9.466 9.837 1.00 11.34 H new ATOM 0 HG2 GLN A 11 -2.168 -11.824 9.543 1.00 63.15 H new ATOM 0 HG3 GLN A 11 -3.395 -10.701 10.094 1.00 63.15 H new ATOM 0 HE21 GLN A 11 -5.150 -10.167 8.773 1.00 63.12 H new ATOM 0 HE22 GLN A 11 -5.522 -11.081 7.308 1.00 63.12 H new ATOM 169 N LEU A 12 -0.810 -6.982 7.772 1.00 32.23 N ATOM 170 CA LEU A 12 -0.064 -5.739 7.928 1.00 5.12 C ATOM 171 C LEU A 12 -0.987 -4.537 7.744 1.00 34.42 C ATOM 172 O LEU A 12 -0.968 -3.601 8.545 1.00 41.34 O ATOM 173 CB LEU A 12 1.088 -5.678 6.918 1.00 33.32 C ATOM 174 CG LEU A 12 1.962 -4.424 6.994 1.00 73.35 C ATOM 175 CD1 LEU A 12 2.661 -4.337 8.342 1.00 0.50 C ATOM 176 CD2 LEU A 12 2.978 -4.416 5.864 1.00 51.14 C ATOM 0 H LEU A 12 -0.508 -7.557 6.986 1.00 32.23 H new ATOM 0 HA LEU A 12 0.351 -5.710 8.936 1.00 5.12 H new ATOM 0 HB2 LEU A 12 1.723 -6.552 7.063 1.00 33.32 H new ATOM 0 HB3 LEU A 12 0.672 -5.750 5.913 1.00 33.32 H new ATOM 0 HG LEU A 12 1.319 -3.550 6.887 1.00 73.35 H new ATOM 0 HD11 LEU A 12 3.277 -3.438 8.375 1.00 0.50 H new ATOM 0 HD12 LEU A 12 1.916 -4.295 9.136 1.00 0.50 H new ATOM 0 HD13 LEU A 12 3.292 -5.215 8.482 1.00 0.50 H new ATOM 0 HD21 LEU A 12 3.591 -3.518 5.933 1.00 51.14 H new ATOM 0 HD22 LEU A 12 3.615 -5.297 5.941 1.00 51.14 H new ATOM 0 HD23 LEU A 12 2.457 -4.428 4.906 1.00 51.14 H new ATOM 188 N ALA A 13 -1.802 -4.579 6.694 1.00 42.13 N ATOM 189 CA ALA A 13 -2.744 -3.503 6.414 1.00 14.01 C ATOM 190 C ALA A 13 -3.826 -3.438 7.485 1.00 0.14 C ATOM 191 O ALA A 13 -4.251 -2.357 7.881 1.00 61.11 O ATOM 192 CB ALA A 13 -3.367 -3.686 5.038 1.00 32.25 C ATOM 0 H ALA A 13 -1.828 -5.347 6.024 1.00 42.13 H new ATOM 0 HA ALA A 13 -2.197 -2.560 6.425 1.00 14.01 H new ATOM 0 HB1 ALA A 13 -4.068 -2.874 4.845 1.00 32.25 H new ATOM 0 HB2 ALA A 13 -2.584 -3.677 4.280 1.00 32.25 H new ATOM 0 HB3 ALA A 13 -3.896 -4.638 5.002 1.00 32.25 H new ATOM 198 N ASP A 14 -4.260 -4.605 7.949 1.00 71.34 N ATOM 199 CA ASP A 14 -5.251 -4.694 9.019 1.00 64.52 C ATOM 200 C ASP A 14 -4.718 -4.056 10.298 1.00 43.54 C ATOM 201 O ASP A 14 -5.403 -3.259 10.942 1.00 75.22 O ATOM 202 CB ASP A 14 -5.622 -6.158 9.273 1.00 22.22 C ATOM 203 CG ASP A 14 -6.505 -6.342 10.490 1.00 32.01 C ATOM 204 OD1 ASP A 14 -7.687 -5.941 10.442 1.00 34.31 O ATOM 205 OD2 ASP A 14 -6.021 -6.906 11.496 1.00 3.43 O ATOM 0 H ASP A 14 -3.940 -5.508 7.599 1.00 71.34 H new ATOM 0 HA ASP A 14 -6.144 -4.152 8.710 1.00 64.52 H new ATOM 0 HB2 ASP A 14 -6.134 -6.555 8.396 1.00 22.22 H new ATOM 0 HB3 ASP A 14 -4.710 -6.741 9.401 1.00 22.22 H new ATOM 210 N GLU A 15 -3.483 -4.402 10.645 1.00 62.45 N ATOM 211 CA GLU A 15 -2.815 -3.825 11.804 1.00 24.20 C ATOM 212 C GLU A 15 -2.696 -2.312 11.628 1.00 70.44 C ATOM 213 O GLU A 15 -3.004 -1.538 12.529 1.00 73.45 O ATOM 214 CB GLU A 15 -1.423 -4.450 11.965 1.00 44.31 C ATOM 215 CG GLU A 15 -0.751 -4.152 13.299 1.00 21.11 C ATOM 216 CD GLU A 15 -1.427 -4.846 14.466 1.00 33.12 C ATOM 217 OE1 GLU A 15 -1.926 -5.978 14.282 1.00 41.21 O ATOM 218 OE2 GLU A 15 -1.446 -4.274 15.578 1.00 55.34 O ATOM 0 H GLU A 15 -2.922 -5.084 10.135 1.00 62.45 H new ATOM 0 HA GLU A 15 -3.400 -4.033 12.700 1.00 24.20 H new ATOM 0 HB2 GLU A 15 -1.507 -5.530 11.848 1.00 44.31 H new ATOM 0 HB3 GLU A 15 -0.781 -4.091 11.160 1.00 44.31 H new ATOM 0 HG2 GLU A 15 0.293 -4.463 13.252 1.00 21.11 H new ATOM 0 HG3 GLU A 15 -0.755 -3.076 13.470 1.00 21.11 H new ATOM 225 N TYR A 16 -2.275 -1.905 10.443 1.00 70.40 N ATOM 226 CA TYR A 16 -2.108 -0.495 10.121 1.00 74.51 C ATOM 227 C TYR A 16 -3.438 0.255 10.222 1.00 64.31 C ATOM 228 O TYR A 16 -3.505 1.349 10.789 1.00 32.34 O ATOM 229 CB TYR A 16 -1.524 -0.365 8.711 1.00 44.20 C ATOM 230 CG TYR A 16 -1.241 1.055 8.281 1.00 4.24 C ATOM 231 CD1 TYR A 16 -0.131 1.734 8.759 1.00 32.24 C ATOM 232 CD2 TYR A 16 -2.076 1.709 7.386 1.00 51.11 C ATOM 233 CE1 TYR A 16 0.138 3.027 8.360 1.00 41.11 C ATOM 234 CE2 TYR A 16 -1.814 3.002 6.983 1.00 62.53 C ATOM 235 CZ TYR A 16 -0.705 3.657 7.472 1.00 72.32 C ATOM 236 OH TYR A 16 -0.441 4.948 7.073 1.00 14.34 O ATOM 0 H TYR A 16 -2.040 -2.538 9.679 1.00 70.40 H new ATOM 0 HA TYR A 16 -1.423 -0.048 10.841 1.00 74.51 H new ATOM 0 HB2 TYR A 16 -0.598 -0.938 8.660 1.00 44.20 H new ATOM 0 HB3 TYR A 16 -2.217 -0.815 8.001 1.00 44.20 H new ATOM 0 HD1 TYR A 16 0.534 1.243 9.455 1.00 32.24 H new ATOM 0 HD2 TYR A 16 -2.945 1.197 6.999 1.00 51.11 H new ATOM 0 HE1 TYR A 16 1.006 3.543 8.743 1.00 41.11 H new ATOM 0 HE2 TYR A 16 -2.475 3.498 6.288 1.00 62.53 H new ATOM 0 HH TYR A 16 -0.496 5.547 7.847 1.00 14.34 H new ATOM 246 N PHE A 17 -4.493 -0.352 9.691 1.00 32.11 N ATOM 247 CA PHE A 17 -5.810 0.272 9.650 1.00 22.12 C ATOM 248 C PHE A 17 -6.337 0.569 11.051 1.00 64.45 C ATOM 249 O PHE A 17 -6.708 1.693 11.353 1.00 2.51 O ATOM 250 CB PHE A 17 -6.790 -0.634 8.899 1.00 12.12 C ATOM 251 CG PHE A 17 -8.186 -0.081 8.797 1.00 41.12 C ATOM 252 CD1 PHE A 17 -8.484 0.929 7.896 1.00 2.51 C ATOM 253 CD2 PHE A 17 -9.202 -0.576 9.599 1.00 41.14 C ATOM 254 CE1 PHE A 17 -9.765 1.436 7.799 1.00 25.11 C ATOM 255 CE2 PHE A 17 -10.485 -0.072 9.505 1.00 63.32 C ATOM 256 CZ PHE A 17 -10.767 0.934 8.604 1.00 72.40 C ATOM 0 H PHE A 17 -4.460 -1.285 9.279 1.00 32.11 H new ATOM 0 HA PHE A 17 -5.716 1.222 9.125 1.00 22.12 H new ATOM 0 HB2 PHE A 17 -6.407 -0.811 7.894 1.00 12.12 H new ATOM 0 HB3 PHE A 17 -6.830 -1.601 9.400 1.00 12.12 H new ATOM 0 HD1 PHE A 17 -7.705 1.325 7.262 1.00 2.51 H new ATOM 0 HD2 PHE A 17 -8.989 -1.365 10.305 1.00 41.14 H new ATOM 0 HE1 PHE A 17 -9.982 2.225 7.094 1.00 25.11 H new ATOM 0 HE2 PHE A 17 -11.267 -0.466 10.137 1.00 63.32 H new ATOM 0 HZ PHE A 17 -11.770 1.328 8.529 1.00 72.40 H new ATOM 266 N GLU A 18 -6.336 -0.427 11.913 1.00 30.02 N ATOM 267 CA GLU A 18 -6.912 -0.277 13.245 1.00 62.14 C ATOM 268 C GLU A 18 -6.059 0.608 14.149 1.00 64.14 C ATOM 269 O GLU A 18 -6.555 1.159 15.128 1.00 40.40 O ATOM 270 CB GLU A 18 -7.103 -1.650 13.887 1.00 13.54 C ATOM 271 CG GLU A 18 -8.205 -2.472 13.242 1.00 34.14 C ATOM 272 CD GLU A 18 -9.584 -1.917 13.536 1.00 44.21 C ATOM 273 OE1 GLU A 18 -10.172 -2.301 14.568 1.00 40.34 O ATOM 274 OE2 GLU A 18 -10.088 -1.091 12.743 1.00 34.23 O ATOM 0 H GLU A 18 -5.945 -1.349 11.721 1.00 30.02 H new ATOM 0 HA GLU A 18 -7.878 0.214 13.129 1.00 62.14 H new ATOM 0 HB2 GLU A 18 -6.166 -2.203 13.828 1.00 13.54 H new ATOM 0 HB3 GLU A 18 -7.330 -1.519 14.945 1.00 13.54 H new ATOM 0 HG2 GLU A 18 -8.050 -2.501 12.163 1.00 34.14 H new ATOM 0 HG3 GLU A 18 -8.146 -3.500 13.600 1.00 34.14 H new ATOM 281 N ARG A 19 -4.782 0.743 13.833 1.00 64.22 N ATOM 282 CA ARG A 19 -3.878 1.495 14.694 1.00 12.41 C ATOM 283 C ARG A 19 -3.839 2.979 14.327 1.00 54.45 C ATOM 284 O ARG A 19 -3.434 3.805 15.144 1.00 3.15 O ATOM 285 CB ARG A 19 -2.471 0.885 14.675 1.00 60.43 C ATOM 286 CG ARG A 19 -2.297 -0.304 15.621 1.00 35.33 C ATOM 287 CD ARG A 19 -3.363 -1.365 15.393 1.00 13.50 C ATOM 288 NE ARG A 19 -3.278 -2.475 16.333 1.00 73.01 N ATOM 289 CZ ARG A 19 -4.251 -2.787 17.189 1.00 61.43 C ATOM 290 NH1 ARG A 19 -5.335 -2.023 17.266 1.00 20.42 N ATOM 291 NH2 ARG A 19 -4.140 -3.853 17.970 1.00 52.22 N ATOM 0 H ARG A 19 -4.350 0.348 12.998 1.00 64.22 H new ATOM 0 HA ARG A 19 -4.267 1.427 15.710 1.00 12.41 H new ATOM 0 HB2 ARG A 19 -2.238 0.565 13.659 1.00 60.43 H new ATOM 0 HB3 ARG A 19 -1.748 1.656 14.940 1.00 60.43 H new ATOM 0 HG2 ARG A 19 -1.310 -0.743 15.476 1.00 35.33 H new ATOM 0 HG3 ARG A 19 -2.343 0.043 16.653 1.00 35.33 H new ATOM 0 HD2 ARG A 19 -4.348 -0.904 15.473 1.00 13.50 H new ATOM 0 HD3 ARG A 19 -3.272 -1.750 14.377 1.00 13.50 H new ATOM 0 HE ARG A 19 -2.430 -3.042 16.336 1.00 73.01 H new ATOM 0 HH11 ARG A 19 -5.422 -1.199 16.671 1.00 20.42 H new ATOM 0 HH12 ARG A 19 -6.081 -2.260 17.920 1.00 20.42 H new ATOM 0 HH21 ARG A 19 -3.307 -4.439 17.918 1.00 52.22 H new ATOM 0 HH22 ARG A 19 -4.888 -4.087 18.623 1.00 52.22 H new ATOM 305 N MET A 20 -4.264 3.326 13.116 1.00 62.32 N ATOM 306 CA MET A 20 -4.308 4.734 12.717 1.00 43.10 C ATOM 307 C MET A 20 -5.729 5.189 12.388 1.00 12.11 C ATOM 308 O MET A 20 -6.071 6.356 12.567 1.00 34.01 O ATOM 309 CB MET A 20 -3.391 4.999 11.521 1.00 64.11 C ATOM 310 CG MET A 20 -1.912 4.930 11.860 1.00 34.24 C ATOM 311 SD MET A 20 -0.866 5.511 10.513 1.00 42.24 S ATOM 312 CE MET A 20 0.757 5.328 11.248 1.00 62.45 C ATOM 0 H MET A 20 -4.578 2.667 12.403 1.00 62.32 H new ATOM 0 HA MET A 20 -3.954 5.312 13.570 1.00 43.10 H new ATOM 0 HB2 MET A 20 -3.610 4.273 10.738 1.00 64.11 H new ATOM 0 HB3 MET A 20 -3.616 5.984 11.113 1.00 64.11 H new ATOM 0 HG2 MET A 20 -1.718 5.529 12.750 1.00 34.24 H new ATOM 0 HG3 MET A 20 -1.646 3.901 12.104 1.00 34.24 H new ATOM 0 HE1 MET A 20 1.356 6.213 11.033 1.00 62.45 H new ATOM 0 HE2 MET A 20 0.657 5.211 12.327 1.00 62.45 H new ATOM 0 HE3 MET A 20 1.248 4.448 10.832 1.00 62.45 H new ATOM 322 N ILE A 21 -6.562 4.271 11.933 1.00 71.43 N ATOM 323 CA ILE A 21 -7.949 4.590 11.627 1.00 3.10 C ATOM 324 C ILE A 21 -8.827 4.181 12.816 1.00 42.34 C ATOM 325 O ILE A 21 -9.701 3.316 12.728 1.00 15.25 O ATOM 326 CB ILE A 21 -8.432 3.925 10.300 1.00 14.01 C ATOM 327 CG1 ILE A 21 -7.607 4.424 9.099 1.00 75.31 C ATOM 328 CG2 ILE A 21 -9.905 4.209 10.043 1.00 31.51 C ATOM 329 CD1 ILE A 21 -6.222 3.820 8.981 1.00 33.34 C ATOM 0 H ILE A 21 -6.305 3.298 11.766 1.00 71.43 H new ATOM 0 HA ILE A 21 -8.033 5.665 11.467 1.00 3.10 H new ATOM 0 HB ILE A 21 -8.291 2.850 10.413 1.00 14.01 H new ATOM 0 HG12 ILE A 21 -8.159 4.211 8.184 1.00 75.31 H new ATOM 0 HG13 ILE A 21 -7.510 5.507 9.168 1.00 75.31 H new ATOM 0 HG21 ILE A 21 -10.210 3.732 9.112 1.00 31.51 H new ATOM 0 HG22 ILE A 21 -10.501 3.813 10.866 1.00 31.51 H new ATOM 0 HG23 ILE A 21 -10.060 5.285 9.968 1.00 31.51 H new ATOM 0 HD11 ILE A 21 -5.719 4.232 8.106 1.00 33.34 H new ATOM 0 HD12 ILE A 21 -5.645 4.055 9.876 1.00 33.34 H new ATOM 0 HD13 ILE A 21 -6.305 2.738 8.876 1.00 33.34 H new ATOM 341 N ALA A 22 -8.515 4.770 13.960 1.00 62.53 N ATOM 342 CA ALA A 22 -9.312 4.597 15.164 1.00 23.24 C ATOM 343 C ALA A 22 -9.523 5.939 15.863 1.00 43.20 C ATOM 344 O ALA A 22 -10.161 6.011 16.911 1.00 74.03 O ATOM 345 CB ALA A 22 -8.636 3.611 16.107 1.00 44.11 C ATOM 0 H ALA A 22 -7.706 5.379 14.080 1.00 62.53 H new ATOM 0 HA ALA A 22 -10.286 4.198 14.880 1.00 23.24 H new ATOM 0 HB1 ALA A 22 -9.243 3.491 17.004 1.00 44.11 H new ATOM 0 HB2 ALA A 22 -8.529 2.647 15.610 1.00 44.11 H new ATOM 0 HB3 ALA A 22 -7.651 3.988 16.383 1.00 44.11 H new ATOM 351 N GLY A 23 -8.985 7.000 15.267 1.00 21.33 N ATOM 352 CA GLY A 23 -9.095 8.324 15.856 1.00 4.12 C ATOM 353 C GLY A 23 -10.059 9.212 15.092 1.00 52.20 C ATOM 354 O GLY A 23 -11.272 9.020 15.156 1.00 24.01 O ATOM 0 H GLY A 23 -8.474 6.966 14.385 1.00 21.33 H new ATOM 0 HA2 GLY A 23 -9.428 8.233 16.890 1.00 4.12 H new ATOM 0 HA3 GLY A 23 -8.111 8.793 15.878 1.00 4.12 H new ATOM 358 N ARG A 24 -9.527 10.186 14.370 1.00 22.43 N ATOM 359 CA ARG A 24 -10.352 11.062 13.554 1.00 50.51 C ATOM 360 C ARG A 24 -10.031 10.839 12.084 1.00 21.51 C ATOM 361 O ARG A 24 -9.148 11.484 11.519 1.00 14.00 O ATOM 362 CB ARG A 24 -10.140 12.532 13.948 1.00 61.04 C ATOM 363 CG ARG A 24 -11.220 13.488 13.437 1.00 32.14 C ATOM 364 CD ARG A 24 -11.038 13.855 11.969 1.00 53.24 C ATOM 365 NE ARG A 24 -12.196 14.571 11.434 1.00 12.55 N ATOM 366 CZ ARG A 24 -12.422 14.768 10.132 1.00 3.11 C ATOM 367 NH1 ARG A 24 -11.514 14.421 9.228 1.00 50.41 N ATOM 368 NH2 ARG A 24 -13.553 15.342 9.741 1.00 55.43 N ATOM 0 H ARG A 24 -8.528 10.389 14.333 1.00 22.43 H new ATOM 0 HA ARG A 24 -11.402 10.824 13.724 1.00 50.51 H new ATOM 0 HB2 ARG A 24 -10.096 12.601 15.035 1.00 61.04 H new ATOM 0 HB3 ARG A 24 -9.173 12.861 13.569 1.00 61.04 H new ATOM 0 HG2 ARG A 24 -12.199 13.029 13.573 1.00 32.14 H new ATOM 0 HG3 ARG A 24 -11.208 14.397 14.038 1.00 32.14 H new ATOM 0 HD2 ARG A 24 -10.147 14.473 11.858 1.00 53.24 H new ATOM 0 HD3 ARG A 24 -10.872 12.949 11.387 1.00 53.24 H new ATOM 0 HE ARG A 24 -12.875 14.944 12.098 1.00 12.55 H new ATOM 0 HH11 ARG A 24 -10.634 14.000 9.525 1.00 50.41 H new ATOM 0 HH12 ARG A 24 -11.696 14.576 8.236 1.00 50.41 H new ATOM 0 HH21 ARG A 24 -14.244 15.630 10.433 1.00 55.43 H new ATOM 0 HH22 ARG A 24 -13.731 15.495 8.748 1.00 55.43 H new ATOM 382 N TRP A 25 -10.719 9.885 11.482 1.00 72.11 N ATOM 383 CA TRP A 25 -10.579 9.643 10.056 1.00 24.25 C ATOM 384 C TRP A 25 -11.809 10.171 9.324 1.00 2.44 C ATOM 385 O TRP A 25 -11.686 10.871 8.322 1.00 3.21 O ATOM 386 CB TRP A 25 -10.354 8.146 9.769 1.00 65.54 C ATOM 387 CG TRP A 25 -11.538 7.262 10.042 1.00 61.41 C ATOM 388 CD1 TRP A 25 -12.359 6.706 9.109 1.00 0.44 C ATOM 389 CD2 TRP A 25 -12.029 6.823 11.320 1.00 25.43 C ATOM 390 NE1 TRP A 25 -13.337 5.963 9.721 1.00 35.13 N ATOM 391 CE2 TRP A 25 -13.156 6.015 11.076 1.00 12.50 C ATOM 392 CE3 TRP A 25 -11.630 7.034 12.642 1.00 32.01 C ATOM 393 CZ2 TRP A 25 -13.885 5.419 12.104 1.00 72.11 C ATOM 394 CZ3 TRP A 25 -12.354 6.442 13.660 1.00 11.50 C ATOM 395 CH2 TRP A 25 -13.469 5.644 13.388 1.00 62.05 C ATOM 0 H TRP A 25 -11.378 9.267 11.956 1.00 72.11 H new ATOM 0 HA TRP A 25 -9.701 10.176 9.690 1.00 24.25 H new ATOM 0 HB2 TRP A 25 -10.067 8.031 8.724 1.00 65.54 H new ATOM 0 HB3 TRP A 25 -9.514 7.798 10.370 1.00 65.54 H new ATOM 0 HD1 TRP A 25 -12.255 6.832 8.041 1.00 0.44 H new ATOM 0 HE1 TRP A 25 -14.080 5.454 9.242 1.00 35.13 H new ATOM 0 HE3 TRP A 25 -10.771 7.649 12.865 1.00 32.01 H new ATOM 0 HZ2 TRP A 25 -14.747 4.802 11.895 1.00 72.11 H new ATOM 0 HZ3 TRP A 25 -12.052 6.599 14.685 1.00 11.50 H new ATOM 0 HH2 TRP A 25 -14.013 5.196 14.207 1.00 62.05 H new ATOM 406 N LYS A 26 -12.985 9.852 9.874 1.00 61.01 N ATOM 407 CA LYS A 26 -14.281 10.312 9.362 1.00 70.43 C ATOM 408 C LYS A 26 -14.574 9.766 7.960 1.00 50.55 C ATOM 409 O LYS A 26 -13.813 9.989 7.019 1.00 32.35 O ATOM 410 CB LYS A 26 -14.356 11.841 9.368 1.00 60.41 C ATOM 411 CG LYS A 26 -15.731 12.392 9.728 1.00 21.13 C ATOM 412 CD LYS A 26 -15.980 12.399 11.238 1.00 13.32 C ATOM 413 CE LYS A 26 -16.059 10.995 11.821 1.00 52.25 C ATOM 414 NZ LYS A 26 -16.304 11.006 13.285 1.00 2.03 N ATOM 0 H LYS A 26 -13.065 9.258 10.700 1.00 61.01 H new ATOM 0 HA LYS A 26 -15.047 9.920 10.031 1.00 70.43 H new ATOM 0 HB2 LYS A 26 -13.624 12.228 10.077 1.00 60.41 H new ATOM 0 HB3 LYS A 26 -14.073 12.212 8.383 1.00 60.41 H new ATOM 0 HG2 LYS A 26 -15.825 13.407 9.342 1.00 21.13 H new ATOM 0 HG3 LYS A 26 -16.499 11.793 9.239 1.00 21.13 H new ATOM 0 HD2 LYS A 26 -15.180 12.950 11.733 1.00 13.32 H new ATOM 0 HD3 LYS A 26 -16.909 12.929 11.448 1.00 13.32 H new ATOM 0 HE2 LYS A 26 -16.857 10.443 11.325 1.00 52.25 H new ATOM 0 HE3 LYS A 26 -15.129 10.465 11.614 1.00 52.25 H new ATOM 0 HZ1 LYS A 26 -16.350 10.028 13.637 1.00 2.03 H new ATOM 0 HZ2 LYS A 26 -15.530 11.510 13.763 1.00 2.03 H new ATOM 0 HZ3 LYS A 26 -17.204 11.488 13.483 1.00 2.03 H new ATOM 428 N HIS A 27 -15.704 9.073 7.838 1.00 74.15 N ATOM 429 CA HIS A 27 -16.107 8.428 6.589 1.00 42.34 C ATOM 430 C HIS A 27 -15.091 7.352 6.203 1.00 61.51 C ATOM 431 O HIS A 27 -14.192 7.586 5.395 1.00 31.44 O ATOM 432 CB HIS A 27 -16.284 9.456 5.465 1.00 72.44 C ATOM 433 CG HIS A 27 -17.009 8.925 4.266 1.00 72.45 C ATOM 434 ND1 HIS A 27 -17.021 9.573 3.053 1.00 20.21 N ATOM 435 CD2 HIS A 27 -17.760 7.810 4.102 1.00 34.24 C ATOM 436 CE1 HIS A 27 -17.744 8.880 2.194 1.00 40.31 C ATOM 437 NE2 HIS A 27 -18.202 7.807 2.805 1.00 64.44 N ATOM 0 H HIS A 27 -16.367 8.942 8.602 1.00 74.15 H new ATOM 0 HA HIS A 27 -17.074 7.949 6.743 1.00 42.34 H new ATOM 0 HB2 HIS A 27 -16.828 10.316 5.855 1.00 72.44 H new ATOM 0 HB3 HIS A 27 -15.302 9.814 5.155 1.00 72.44 H new ATOM 0 HD2 HIS A 27 -17.971 7.063 4.853 1.00 34.24 H new ATOM 0 HE1 HIS A 27 -17.929 9.147 1.164 1.00 40.31 H new ATOM 0 HE2 HIS A 27 -18.791 7.090 2.381 1.00 64.44 H new ATOM 446 N PRO A 28 -15.245 6.154 6.788 1.00 22.20 N ATOM 447 CA PRO A 28 -14.268 5.065 6.669 1.00 34.34 C ATOM 448 C PRO A 28 -13.952 4.683 5.230 1.00 63.35 C ATOM 449 O PRO A 28 -12.800 4.416 4.903 1.00 74.24 O ATOM 450 CB PRO A 28 -14.938 3.892 7.391 1.00 64.35 C ATOM 451 CG PRO A 28 -15.924 4.522 8.310 1.00 74.15 C ATOM 452 CD PRO A 28 -16.399 5.766 7.619 1.00 24.40 C ATOM 0 HA PRO A 28 -13.307 5.360 7.091 1.00 34.34 H new ATOM 0 HB2 PRO A 28 -15.428 3.221 6.685 1.00 64.35 H new ATOM 0 HB3 PRO A 28 -14.208 3.298 7.941 1.00 64.35 H new ATOM 0 HG2 PRO A 28 -16.755 3.847 8.512 1.00 74.15 H new ATOM 0 HG3 PRO A 28 -15.466 4.760 9.270 1.00 74.15 H new ATOM 0 HD2 PRO A 28 -17.285 5.576 7.013 1.00 24.40 H new ATOM 0 HD3 PRO A 28 -16.662 6.547 8.332 1.00 24.40 H new ATOM 460 N ASN A 29 -14.968 4.686 4.370 1.00 42.02 N ATOM 461 CA ASN A 29 -14.819 4.241 2.991 1.00 74.15 C ATOM 462 C ASN A 29 -13.710 5.005 2.269 1.00 14.21 C ATOM 463 O ASN A 29 -13.035 4.458 1.397 1.00 34.41 O ATOM 464 CB ASN A 29 -16.145 4.425 2.259 1.00 41.23 C ATOM 465 CG ASN A 29 -16.074 4.027 0.806 1.00 51.01 C ATOM 466 OD1 ASN A 29 -15.344 3.110 0.425 1.00 11.24 O ATOM 467 ND2 ASN A 29 -16.836 4.718 -0.014 1.00 73.41 N ATOM 0 H ASN A 29 -15.910 4.995 4.609 1.00 42.02 H new ATOM 0 HA ASN A 29 -14.540 3.187 2.997 1.00 74.15 H new ATOM 0 HB2 ASN A 29 -16.913 3.833 2.756 1.00 41.23 H new ATOM 0 HB3 ASN A 29 -16.452 5.469 2.330 1.00 41.23 H new ATOM 0 HD21 ASN A 29 -16.839 4.503 -1.011 1.00 73.41 H new ATOM 0 HD22 ASN A 29 -17.424 5.469 0.347 1.00 73.41 H new ATOM 474 N ILE A 30 -13.508 6.259 2.657 1.00 24.24 N ATOM 475 CA ILE A 30 -12.454 7.083 2.078 1.00 33.24 C ATOM 476 C ILE A 30 -11.090 6.398 2.208 1.00 43.43 C ATOM 477 O ILE A 30 -10.376 6.225 1.219 1.00 4.53 O ATOM 478 CB ILE A 30 -12.410 8.481 2.740 1.00 1.53 C ATOM 479 CG1 ILE A 30 -13.687 9.265 2.417 1.00 43.33 C ATOM 480 CG2 ILE A 30 -11.177 9.260 2.297 1.00 2.20 C ATOM 481 CD1 ILE A 30 -13.909 9.493 0.934 1.00 41.00 C ATOM 0 H ILE A 30 -14.063 6.728 3.373 1.00 24.24 H new ATOM 0 HA ILE A 30 -12.682 7.210 1.020 1.00 33.24 H new ATOM 0 HB ILE A 30 -12.349 8.343 3.819 1.00 1.53 H new ATOM 0 HG12 ILE A 30 -14.544 8.729 2.825 1.00 43.33 H new ATOM 0 HG13 ILE A 30 -13.646 10.231 2.921 1.00 43.33 H new ATOM 0 HG21 ILE A 30 -11.172 10.238 2.778 1.00 2.20 H new ATOM 0 HG22 ILE A 30 -10.279 8.712 2.581 1.00 2.20 H new ATOM 0 HG23 ILE A 30 -11.197 9.388 1.215 1.00 2.20 H new ATOM 0 HD11 ILE A 30 -14.832 10.054 0.786 1.00 41.00 H new ATOM 0 HD12 ILE A 30 -13.072 10.057 0.523 1.00 41.00 H new ATOM 0 HD13 ILE A 30 -13.983 8.532 0.425 1.00 41.00 H new ATOM 493 N VAL A 31 -10.731 6.004 3.425 1.00 12.24 N ATOM 494 CA VAL A 31 -9.473 5.300 3.648 1.00 3.34 C ATOM 495 C VAL A 31 -9.609 3.807 3.311 1.00 35.23 C ATOM 496 O VAL A 31 -8.635 3.155 2.934 1.00 60.01 O ATOM 497 CB VAL A 31 -8.954 5.492 5.095 1.00 31.13 C ATOM 498 CG1 VAL A 31 -9.876 4.844 6.110 1.00 61.20 C ATOM 499 CG2 VAL A 31 -7.531 4.964 5.239 1.00 63.45 C ATOM 0 H VAL A 31 -11.288 6.158 4.266 1.00 12.24 H new ATOM 0 HA VAL A 31 -8.735 5.737 2.975 1.00 3.34 H new ATOM 0 HB VAL A 31 -8.943 6.563 5.298 1.00 31.13 H new ATOM 0 HG11 VAL A 31 -9.479 5.000 7.113 1.00 61.20 H new ATOM 0 HG12 VAL A 31 -10.867 5.291 6.038 1.00 61.20 H new ATOM 0 HG13 VAL A 31 -9.945 3.775 5.909 1.00 61.20 H new ATOM 0 HG21 VAL A 31 -7.190 5.111 6.264 1.00 63.45 H new ATOM 0 HG22 VAL A 31 -7.511 3.901 4.999 1.00 63.45 H new ATOM 0 HG23 VAL A 31 -6.872 5.502 4.557 1.00 63.45 H new ATOM 509 N ARG A 32 -10.827 3.278 3.435 1.00 73.32 N ATOM 510 CA ARG A 32 -11.096 1.872 3.124 1.00 63.33 C ATOM 511 C ARG A 32 -10.789 1.561 1.669 1.00 41.14 C ATOM 512 O ARG A 32 -10.115 0.579 1.376 1.00 63.13 O ATOM 513 CB ARG A 32 -12.554 1.504 3.424 1.00 41.14 C ATOM 514 CG ARG A 32 -12.859 1.340 4.903 1.00 62.34 C ATOM 515 CD ARG A 32 -12.098 0.173 5.506 1.00 32.45 C ATOM 516 NE ARG A 32 -12.548 -1.115 4.987 1.00 70.43 N ATOM 517 CZ ARG A 32 -12.693 -2.207 5.741 1.00 23.22 C ATOM 518 NH1 ARG A 32 -12.476 -2.142 7.050 1.00 75.32 N ATOM 519 NH2 ARG A 32 -13.068 -3.355 5.187 1.00 61.45 N ATOM 0 H ARG A 32 -11.644 3.802 3.749 1.00 73.32 H new ATOM 0 HA ARG A 32 -10.442 1.276 3.760 1.00 63.33 H new ATOM 0 HB2 ARG A 32 -13.205 2.276 3.013 1.00 41.14 H new ATOM 0 HB3 ARG A 32 -12.797 0.575 2.908 1.00 41.14 H new ATOM 0 HG2 ARG A 32 -12.599 2.257 5.432 1.00 62.34 H new ATOM 0 HG3 ARG A 32 -13.929 1.186 5.039 1.00 62.34 H new ATOM 0 HD2 ARG A 32 -11.034 0.292 5.301 1.00 32.45 H new ATOM 0 HD3 ARG A 32 -12.217 0.186 6.589 1.00 32.45 H new ATOM 0 HE ARG A 32 -12.764 -1.185 3.993 1.00 70.43 H new ATOM 0 HH11 ARG A 32 -12.199 -1.258 7.478 1.00 75.32 H new ATOM 0 HH12 ARG A 32 -12.586 -2.976 7.627 1.00 75.32 H new ATOM 0 HH21 ARG A 32 -13.246 -3.403 4.184 1.00 61.45 H new ATOM 0 HH22 ARG A 32 -13.178 -4.188 5.765 1.00 61.45 H new ATOM 533 N SER A 33 -11.280 2.406 0.765 1.00 62.01 N ATOM 534 CA SER A 33 -11.067 2.221 -0.667 1.00 73.44 C ATOM 535 C SER A 33 -9.586 2.017 -0.968 1.00 65.14 C ATOM 536 O SER A 33 -9.216 1.130 -1.732 1.00 31.53 O ATOM 537 CB SER A 33 -11.616 3.430 -1.441 1.00 42.32 C ATOM 538 OG SER A 33 -11.363 3.323 -2.833 1.00 31.25 O ATOM 0 H SER A 33 -11.832 3.231 1.002 1.00 62.01 H new ATOM 0 HA SER A 33 -11.603 1.328 -0.988 1.00 73.44 H new ATOM 0 HB2 SER A 33 -12.690 3.513 -1.272 1.00 42.32 H new ATOM 0 HB3 SER A 33 -11.162 4.344 -1.058 1.00 42.32 H new ATOM 0 HG SER A 33 -11.727 4.108 -3.293 1.00 31.25 H new ATOM 544 N ARG A 34 -8.748 2.817 -0.327 1.00 64.15 N ATOM 545 CA ARG A 34 -7.308 2.704 -0.486 1.00 44.14 C ATOM 546 C ARG A 34 -6.824 1.305 -0.131 1.00 23.31 C ATOM 547 O ARG A 34 -6.161 0.651 -0.921 1.00 53.22 O ATOM 548 CB ARG A 34 -6.610 3.732 0.397 1.00 75.51 C ATOM 549 CG ARG A 34 -6.834 5.159 -0.054 1.00 42.10 C ATOM 550 CD ARG A 34 -6.392 6.144 1.006 1.00 54.04 C ATOM 551 NE ARG A 34 -6.288 7.500 0.478 1.00 32.12 N ATOM 552 CZ ARG A 34 -6.832 8.571 1.040 1.00 23.55 C ATOM 553 NH1 ARG A 34 -7.582 8.452 2.127 1.00 33.33 N ATOM 554 NH2 ARG A 34 -6.630 9.763 0.506 1.00 13.45 N ATOM 0 H ARG A 34 -9.044 3.555 0.312 1.00 64.15 H new ATOM 0 HA ARG A 34 -7.064 2.893 -1.531 1.00 44.14 H new ATOM 0 HB2 ARG A 34 -6.966 3.622 1.421 1.00 75.51 H new ATOM 0 HB3 ARG A 34 -5.540 3.525 0.407 1.00 75.51 H new ATOM 0 HG2 ARG A 34 -6.283 5.342 -0.977 1.00 42.10 H new ATOM 0 HG3 ARG A 34 -7.890 5.311 -0.278 1.00 42.10 H new ATOM 0 HD2 ARG A 34 -7.101 6.130 1.833 1.00 54.04 H new ATOM 0 HD3 ARG A 34 -5.427 5.836 1.408 1.00 54.04 H new ATOM 0 HE ARG A 34 -5.760 7.634 -0.384 1.00 32.12 H new ATOM 0 HH11 ARG A 34 -7.744 7.532 2.537 1.00 33.33 H new ATOM 0 HH12 ARG A 34 -7.997 9.280 2.553 1.00 33.33 H new ATOM 0 HH21 ARG A 34 -6.058 9.855 -0.334 1.00 13.45 H new ATOM 0 HH22 ARG A 34 -7.046 10.590 0.934 1.00 13.45 H new ATOM 568 N ILE A 35 -7.189 0.836 1.048 1.00 1.05 N ATOM 569 CA ILE A 35 -6.688 -0.437 1.543 1.00 11.23 C ATOM 570 C ILE A 35 -7.326 -1.626 0.820 1.00 10.23 C ATOM 571 O ILE A 35 -6.643 -2.597 0.491 1.00 2.34 O ATOM 572 CB ILE A 35 -6.910 -0.565 3.064 1.00 12.31 C ATOM 573 CG1 ILE A 35 -6.168 0.563 3.792 1.00 34.21 C ATOM 574 CG2 ILE A 35 -6.448 -1.926 3.566 1.00 23.23 C ATOM 575 CD1 ILE A 35 -6.309 0.518 5.298 1.00 54.20 C ATOM 0 H ILE A 35 -7.829 1.315 1.681 1.00 1.05 H new ATOM 0 HA ILE A 35 -5.618 -0.455 1.338 1.00 11.23 H new ATOM 0 HB ILE A 35 -7.976 -0.478 3.272 1.00 12.31 H new ATOM 0 HG12 ILE A 35 -5.110 0.514 3.534 1.00 34.21 H new ATOM 0 HG13 ILE A 35 -6.540 1.522 3.431 1.00 34.21 H new ATOM 0 HG21 ILE A 35 -6.614 -1.993 4.641 1.00 23.23 H new ATOM 0 HG22 ILE A 35 -7.012 -2.711 3.062 1.00 23.23 H new ATOM 0 HG23 ILE A 35 -5.386 -2.050 3.355 1.00 23.23 H new ATOM 0 HD11 ILE A 35 -5.757 1.347 5.740 1.00 54.20 H new ATOM 0 HD12 ILE A 35 -7.362 0.599 5.567 1.00 54.20 H new ATOM 0 HD13 ILE A 35 -5.910 -0.425 5.673 1.00 54.20 H new ATOM 587 N GLU A 36 -8.619 -1.534 0.550 1.00 5.13 N ATOM 588 CA GLU A 36 -9.359 -2.656 -0.018 1.00 31.31 C ATOM 589 C GLU A 36 -9.178 -2.747 -1.532 1.00 60.24 C ATOM 590 O GLU A 36 -9.333 -3.820 -2.117 1.00 0.11 O ATOM 591 CB GLU A 36 -10.848 -2.538 0.319 1.00 23.12 C ATOM 592 CG GLU A 36 -11.120 -2.306 1.798 1.00 34.33 C ATOM 593 CD GLU A 36 -12.583 -2.451 2.166 1.00 42.23 C ATOM 594 OE1 GLU A 36 -13.028 -3.591 2.413 1.00 23.33 O ATOM 595 OE2 GLU A 36 -13.286 -1.423 2.252 1.00 75.31 O ATOM 0 H GLU A 36 -9.179 -0.697 0.714 1.00 5.13 H new ATOM 0 HA GLU A 36 -8.957 -3.567 0.425 1.00 31.31 H new ATOM 0 HB2 GLU A 36 -11.278 -1.717 -0.254 1.00 23.12 H new ATOM 0 HB3 GLU A 36 -11.357 -3.448 0.003 1.00 23.12 H new ATOM 0 HG2 GLU A 36 -10.533 -3.013 2.384 1.00 34.33 H new ATOM 0 HG3 GLU A 36 -10.781 -1.307 2.071 1.00 34.33 H new ATOM 602 N LYS A 37 -8.874 -1.624 -2.169 1.00 71.45 N ATOM 603 CA LYS A 37 -8.739 -1.589 -3.621 1.00 55.04 C ATOM 604 C LYS A 37 -7.284 -1.379 -4.063 1.00 24.24 C ATOM 605 O LYS A 37 -6.767 -2.155 -4.867 1.00 0.41 O ATOM 606 CB LYS A 37 -9.674 -0.517 -4.199 1.00 61.21 C ATOM 607 CG LYS A 37 -9.432 -0.181 -5.661 1.00 51.03 C ATOM 608 CD LYS A 37 -8.582 1.069 -5.789 1.00 72.03 C ATOM 609 CE LYS A 37 -8.301 1.425 -7.234 1.00 41.50 C ATOM 610 NZ LYS A 37 -7.536 2.696 -7.334 1.00 61.02 N ATOM 0 H LYS A 37 -8.717 -0.729 -1.707 1.00 71.45 H new ATOM 0 HA LYS A 37 -9.034 -2.560 -4.018 1.00 55.04 H new ATOM 0 HB2 LYS A 37 -10.704 -0.853 -4.084 1.00 61.21 H new ATOM 0 HB3 LYS A 37 -9.568 0.394 -3.609 1.00 61.21 H new ATOM 0 HG2 LYS A 37 -8.936 -1.017 -6.154 1.00 51.03 H new ATOM 0 HG3 LYS A 37 -10.385 -0.032 -6.168 1.00 51.03 H new ATOM 0 HD2 LYS A 37 -9.089 1.903 -5.303 1.00 72.03 H new ATOM 0 HD3 LYS A 37 -7.639 0.920 -5.263 1.00 72.03 H new ATOM 0 HE2 LYS A 37 -7.738 0.620 -7.707 1.00 41.50 H new ATOM 0 HE3 LYS A 37 -9.241 1.519 -7.778 1.00 41.50 H new ATOM 0 HZ1 LYS A 37 -7.474 2.987 -8.331 1.00 61.02 H new ATOM 0 HZ2 LYS A 37 -8.020 3.436 -6.787 1.00 61.02 H new ATOM 0 HZ3 LYS A 37 -6.578 2.555 -6.955 1.00 61.02 H new ATOM 624 N ASP A 38 -6.631 -0.341 -3.545 1.00 44.11 N ATOM 625 CA ASP A 38 -5.263 -0.011 -3.963 1.00 71.05 C ATOM 626 C ASP A 38 -4.238 -0.899 -3.268 1.00 34.01 C ATOM 627 O ASP A 38 -3.363 -1.474 -3.910 1.00 53.13 O ATOM 628 CB ASP A 38 -4.935 1.461 -3.683 1.00 74.25 C ATOM 629 CG ASP A 38 -5.702 2.421 -4.567 1.00 51.15 C ATOM 630 OD1 ASP A 38 -5.474 2.417 -5.795 1.00 51.34 O ATOM 631 OD2 ASP A 38 -6.539 3.186 -4.041 1.00 51.42 O ATOM 0 H ASP A 38 -7.020 0.285 -2.840 1.00 44.11 H new ATOM 0 HA ASP A 38 -5.210 -0.188 -5.037 1.00 71.05 H new ATOM 0 HB2 ASP A 38 -5.155 1.683 -2.639 1.00 74.25 H new ATOM 0 HB3 ASP A 38 -3.866 1.622 -3.824 1.00 74.25 H new ATOM 636 N ILE A 39 -4.347 -1.005 -1.950 1.00 13.30 N ATOM 637 CA ILE A 39 -3.417 -1.809 -1.166 1.00 33.04 C ATOM 638 C ILE A 39 -3.658 -3.296 -1.418 1.00 13.23 C ATOM 639 O ILE A 39 -2.737 -4.114 -1.339 1.00 52.43 O ATOM 640 CB ILE A 39 -3.542 -1.517 0.352 1.00 72.03 C ATOM 641 CG1 ILE A 39 -3.468 -0.010 0.626 1.00 3.42 C ATOM 642 CG2 ILE A 39 -2.454 -2.247 1.132 1.00 21.21 C ATOM 643 CD1 ILE A 39 -2.160 0.630 0.221 1.00 40.34 C ATOM 0 H ILE A 39 -5.072 -0.543 -1.400 1.00 13.30 H new ATOM 0 HA ILE A 39 -2.410 -1.540 -1.483 1.00 33.04 H new ATOM 0 HB ILE A 39 -4.514 -1.881 0.685 1.00 72.03 H new ATOM 0 HG12 ILE A 39 -4.281 0.485 0.095 1.00 3.42 H new ATOM 0 HG13 ILE A 39 -3.630 0.163 1.690 1.00 3.42 H new ATOM 0 HG21 ILE A 39 -2.560 -2.029 2.195 1.00 21.21 H new ATOM 0 HG22 ILE A 39 -2.549 -3.321 0.971 1.00 21.21 H new ATOM 0 HG23 ILE A 39 -1.475 -1.914 0.789 1.00 21.21 H new ATOM 0 HD11 ILE A 39 -2.190 1.696 0.449 1.00 40.34 H new ATOM 0 HD12 ILE A 39 -1.342 0.165 0.771 1.00 40.34 H new ATOM 0 HD13 ILE A 39 -2.003 0.492 -0.849 1.00 40.34 H new ATOM 655 N LYS A 40 -4.902 -3.647 -1.712 1.00 64.32 N ATOM 656 CA LYS A 40 -5.257 -5.024 -2.014 1.00 42.41 C ATOM 657 C LYS A 40 -5.918 -5.147 -3.390 1.00 74.32 C ATOM 658 O LYS A 40 -7.135 -5.306 -3.486 1.00 70.02 O ATOM 659 CB LYS A 40 -6.203 -5.572 -0.945 1.00 55.54 C ATOM 660 CG LYS A 40 -5.622 -6.716 -0.130 1.00 42.33 C ATOM 661 CD LYS A 40 -5.410 -6.325 1.325 1.00 60.33 C ATOM 662 CE LYS A 40 -4.343 -5.254 1.473 1.00 55.41 C ATOM 663 NZ LYS A 40 -3.023 -5.705 0.950 1.00 22.04 N ATOM 0 H LYS A 40 -5.684 -2.993 -1.748 1.00 64.32 H new ATOM 0 HA LYS A 40 -4.335 -5.606 -2.024 1.00 42.41 H new ATOM 0 HB2 LYS A 40 -6.479 -4.762 -0.270 1.00 55.54 H new ATOM 0 HB3 LYS A 40 -7.120 -5.912 -1.426 1.00 55.54 H new ATOM 0 HG2 LYS A 40 -6.291 -7.575 -0.181 1.00 42.33 H new ATOM 0 HG3 LYS A 40 -4.672 -7.026 -0.565 1.00 42.33 H new ATOM 0 HD2 LYS A 40 -6.349 -5.963 1.744 1.00 60.33 H new ATOM 0 HD3 LYS A 40 -5.123 -7.206 1.900 1.00 60.33 H new ATOM 0 HE2 LYS A 40 -4.656 -4.355 0.942 1.00 55.41 H new ATOM 0 HE3 LYS A 40 -4.243 -4.984 2.524 1.00 55.41 H new ATOM 0 HZ1 LYS A 40 -2.275 -5.447 1.625 1.00 22.04 H new ATOM 0 HZ2 LYS A 40 -3.034 -6.737 0.823 1.00 22.04 H new ATOM 0 HZ3 LYS A 40 -2.837 -5.246 0.036 1.00 22.04 H new ATOM 677 N PRO A 41 -5.139 -5.042 -4.480 1.00 11.12 N ATOM 678 CA PRO A 41 -5.643 -5.295 -5.823 1.00 43.35 C ATOM 679 C PRO A 41 -5.622 -6.786 -6.144 1.00 63.41 C ATOM 680 O PRO A 41 -6.646 -7.378 -6.481 1.00 60.23 O ATOM 681 CB PRO A 41 -4.665 -4.538 -6.735 1.00 23.10 C ATOM 682 CG PRO A 41 -3.634 -3.928 -5.832 1.00 53.33 C ATOM 683 CD PRO A 41 -3.737 -4.634 -4.510 1.00 24.42 C ATOM 0 HA PRO A 41 -6.677 -4.972 -5.946 1.00 43.35 H new ATOM 0 HB2 PRO A 41 -4.201 -5.214 -7.454 1.00 23.10 H new ATOM 0 HB3 PRO A 41 -5.183 -3.769 -7.308 1.00 23.10 H new ATOM 0 HG2 PRO A 41 -2.635 -4.042 -6.254 1.00 53.33 H new ATOM 0 HG3 PRO A 41 -3.809 -2.859 -5.713 1.00 53.33 H new ATOM 0 HD2 PRO A 41 -3.064 -5.489 -4.453 1.00 24.42 H new ATOM 0 HD3 PRO A 41 -3.488 -3.976 -3.678 1.00 24.42 H new ATOM 691 N ALA A 42 -4.444 -7.385 -6.016 1.00 52.33 N ATOM 692 CA ALA A 42 -4.278 -8.816 -6.222 1.00 75.54 C ATOM 693 C ALA A 42 -3.256 -9.367 -5.240 1.00 41.03 C ATOM 694 O ALA A 42 -2.763 -10.488 -5.388 1.00 33.54 O ATOM 695 CB ALA A 42 -3.844 -9.096 -7.652 1.00 45.31 C ATOM 0 H ALA A 42 -3.584 -6.896 -5.768 1.00 52.33 H new ATOM 0 HA ALA A 42 -5.234 -9.311 -6.048 1.00 75.54 H new ATOM 0 HB1 ALA A 42 -3.724 -10.170 -7.792 1.00 45.31 H new ATOM 0 HB2 ALA A 42 -4.601 -8.723 -8.342 1.00 45.31 H new ATOM 0 HB3 ALA A 42 -2.896 -8.596 -7.849 1.00 45.31 H new ATOM 701 N ILE A 43 -2.956 -8.566 -4.229 1.00 44.32 N ATOM 702 CA ILE A 43 -1.963 -8.917 -3.227 1.00 11.40 C ATOM 703 C ILE A 43 -2.546 -8.768 -1.822 1.00 74.22 C ATOM 704 O ILE A 43 -2.466 -7.706 -1.194 1.00 53.23 O ATOM 705 CB ILE A 43 -0.682 -8.064 -3.369 1.00 33.34 C ATOM 706 CG1 ILE A 43 -1.031 -6.586 -3.568 1.00 61.55 C ATOM 707 CG2 ILE A 43 0.157 -8.571 -4.535 1.00 51.30 C ATOM 708 CD1 ILE A 43 0.149 -5.651 -3.411 1.00 11.14 C ATOM 0 H ILE A 43 -3.393 -7.656 -4.081 1.00 44.32 H new ATOM 0 HA ILE A 43 -1.687 -9.959 -3.389 1.00 11.40 H new ATOM 0 HB ILE A 43 -0.103 -8.156 -2.450 1.00 33.34 H new ATOM 0 HG12 ILE A 43 -1.457 -6.454 -4.563 1.00 61.55 H new ATOM 0 HG13 ILE A 43 -1.803 -6.305 -2.851 1.00 61.55 H new ATOM 0 HG21 ILE A 43 1.057 -7.963 -4.627 1.00 51.30 H new ATOM 0 HG22 ILE A 43 0.437 -9.610 -4.358 1.00 51.30 H new ATOM 0 HG23 ILE A 43 -0.422 -8.503 -5.456 1.00 51.30 H new ATOM 0 HD11 ILE A 43 -0.178 -4.623 -3.566 1.00 11.14 H new ATOM 0 HD12 ILE A 43 0.563 -5.752 -2.408 1.00 11.14 H new ATOM 0 HD13 ILE A 43 0.914 -5.903 -4.146 1.00 11.14 H new ATOM 720 N GLY A 44 -3.184 -9.828 -1.359 1.00 3.14 N ATOM 721 CA GLY A 44 -3.735 -9.842 -0.023 1.00 44.22 C ATOM 722 C GLY A 44 -3.096 -10.918 0.817 1.00 51.40 C ATOM 723 O GLY A 44 -2.564 -10.645 1.892 1.00 41.51 O ATOM 0 H GLY A 44 -3.331 -10.687 -1.890 1.00 3.14 H new ATOM 0 HA2 GLY A 44 -3.582 -8.871 0.447 1.00 44.22 H new ATOM 0 HA3 GLY A 44 -4.811 -10.006 -0.072 1.00 44.22 H new ATOM 727 N SER A 45 -3.112 -12.140 0.303 1.00 34.41 N ATOM 728 CA SER A 45 -2.524 -13.275 1.000 1.00 61.43 C ATOM 729 C SER A 45 -1.010 -13.321 0.791 1.00 20.11 C ATOM 730 O SER A 45 -0.332 -14.256 1.226 1.00 63.12 O ATOM 731 CB SER A 45 -3.170 -14.568 0.505 1.00 73.13 C ATOM 732 OG SER A 45 -3.152 -14.636 -0.914 1.00 34.12 O ATOM 0 H SER A 45 -3.528 -12.371 -0.599 1.00 34.41 H new ATOM 0 HA SER A 45 -2.710 -13.165 2.068 1.00 61.43 H new ATOM 0 HB2 SER A 45 -2.640 -15.425 0.920 1.00 73.13 H new ATOM 0 HB3 SER A 45 -4.198 -14.625 0.862 1.00 73.13 H new ATOM 0 HG SER A 45 -3.569 -15.473 -1.207 1.00 34.12 H new ATOM 738 N LEU A 46 -0.492 -12.298 0.126 1.00 53.03 N ATOM 739 CA LEU A 46 0.926 -12.211 -0.168 1.00 24.12 C ATOM 740 C LEU A 46 1.706 -11.760 1.065 1.00 22.20 C ATOM 741 O LEU A 46 1.335 -10.789 1.732 1.00 65.21 O ATOM 742 CB LEU A 46 1.158 -11.236 -1.322 1.00 24.11 C ATOM 743 CG LEU A 46 2.580 -11.225 -1.876 1.00 40.20 C ATOM 744 CD1 LEU A 46 2.890 -12.546 -2.561 1.00 53.54 C ATOM 745 CD2 LEU A 46 2.777 -10.064 -2.833 1.00 53.12 C ATOM 0 H LEU A 46 -1.041 -11.512 -0.222 1.00 53.03 H new ATOM 0 HA LEU A 46 1.282 -13.200 -0.457 1.00 24.12 H new ATOM 0 HB2 LEU A 46 0.470 -11.482 -2.131 1.00 24.11 H new ATOM 0 HB3 LEU A 46 0.907 -10.230 -0.985 1.00 24.11 H new ATOM 0 HG LEU A 46 3.272 -11.096 -1.044 1.00 40.20 H new ATOM 0 HD11 LEU A 46 3.908 -12.524 -2.951 1.00 53.54 H new ATOM 0 HD12 LEU A 46 2.795 -13.360 -1.842 1.00 53.54 H new ATOM 0 HD13 LEU A 46 2.190 -12.703 -3.382 1.00 53.54 H new ATOM 0 HD21 LEU A 46 3.798 -10.077 -3.215 1.00 53.12 H new ATOM 0 HD22 LEU A 46 2.077 -10.155 -3.664 1.00 53.12 H new ATOM 0 HD23 LEU A 46 2.598 -9.126 -2.308 1.00 53.12 H new ATOM 757 N LYS A 47 2.773 -12.484 1.372 1.00 40.04 N ATOM 758 CA LYS A 47 3.634 -12.167 2.498 1.00 43.23 C ATOM 759 C LYS A 47 4.362 -10.840 2.278 1.00 21.42 C ATOM 760 O LYS A 47 4.645 -10.461 1.143 1.00 23.51 O ATOM 761 CB LYS A 47 4.650 -13.298 2.681 1.00 32.23 C ATOM 762 CG LYS A 47 5.445 -13.215 3.965 1.00 10.43 C ATOM 763 CD LYS A 47 4.543 -13.362 5.173 1.00 34.10 C ATOM 764 CE LYS A 47 3.921 -14.748 5.261 1.00 2.23 C ATOM 765 NZ LYS A 47 4.945 -15.821 5.375 1.00 61.41 N ATOM 0 H LYS A 47 3.065 -13.308 0.846 1.00 40.04 H new ATOM 0 HA LYS A 47 3.021 -12.067 3.394 1.00 43.23 H new ATOM 0 HB2 LYS A 47 4.124 -14.252 2.654 1.00 32.23 H new ATOM 0 HB3 LYS A 47 5.341 -13.291 1.838 1.00 32.23 H new ATOM 0 HG2 LYS A 47 6.205 -13.996 3.977 1.00 10.43 H new ATOM 0 HG3 LYS A 47 5.968 -12.260 4.012 1.00 10.43 H new ATOM 0 HD2 LYS A 47 5.117 -13.165 6.079 1.00 34.10 H new ATOM 0 HD3 LYS A 47 3.752 -12.613 5.127 1.00 34.10 H new ATOM 0 HE2 LYS A 47 3.256 -14.791 6.123 1.00 2.23 H new ATOM 0 HE3 LYS A 47 3.309 -14.926 4.377 1.00 2.23 H new ATOM 0 HZ1 LYS A 47 4.485 -16.712 5.651 1.00 61.41 H new ATOM 0 HZ2 LYS A 47 5.420 -15.946 4.458 1.00 61.41 H new ATOM 0 HZ3 LYS A 47 5.647 -15.556 6.095 1.00 61.41 H new ATOM 779 N VAL A 48 4.668 -10.145 3.371 1.00 3.01 N ATOM 780 CA VAL A 48 5.407 -8.884 3.303 1.00 60.31 C ATOM 781 C VAL A 48 6.816 -9.115 2.749 1.00 20.20 C ATOM 782 O VAL A 48 7.431 -8.222 2.173 1.00 35.40 O ATOM 783 CB VAL A 48 5.500 -8.211 4.695 1.00 1.32 C ATOM 784 CG1 VAL A 48 6.216 -6.868 4.614 1.00 53.03 C ATOM 785 CG2 VAL A 48 4.114 -8.040 5.296 1.00 23.43 C ATOM 0 H VAL A 48 4.416 -10.433 4.316 1.00 3.01 H new ATOM 0 HA VAL A 48 4.861 -8.220 2.633 1.00 60.31 H new ATOM 0 HB VAL A 48 6.085 -8.863 5.344 1.00 1.32 H new ATOM 0 HG11 VAL A 48 6.265 -6.421 5.607 1.00 53.03 H new ATOM 0 HG12 VAL A 48 7.226 -7.017 4.233 1.00 53.03 H new ATOM 0 HG13 VAL A 48 5.670 -6.204 3.944 1.00 53.03 H new ATOM 0 HG21 VAL A 48 4.197 -7.566 6.274 1.00 23.43 H new ATOM 0 HG22 VAL A 48 3.508 -7.415 4.640 1.00 23.43 H new ATOM 0 HG23 VAL A 48 3.642 -9.016 5.405 1.00 23.43 H new ATOM 795 N GLU A 49 7.312 -10.335 2.910 1.00 44.14 N ATOM 796 CA GLU A 49 8.634 -10.696 2.408 1.00 11.10 C ATOM 797 C GLU A 49 8.560 -11.147 0.949 1.00 34.41 C ATOM 798 O GLU A 49 9.574 -11.508 0.352 1.00 52.54 O ATOM 799 CB GLU A 49 9.247 -11.802 3.274 1.00 14.13 C ATOM 800 CG GLU A 49 9.385 -11.407 4.735 1.00 14.41 C ATOM 801 CD GLU A 49 9.970 -12.513 5.587 1.00 61.30 C ATOM 802 OE1 GLU A 49 9.241 -13.474 5.907 1.00 32.12 O ATOM 803 OE2 GLU A 49 11.167 -12.430 5.944 1.00 2.32 O ATOM 0 H GLU A 49 6.820 -11.092 3.384 1.00 44.14 H new ATOM 0 HA GLU A 49 9.270 -9.813 2.460 1.00 11.10 H new ATOM 0 HB2 GLU A 49 8.628 -12.696 3.202 1.00 14.13 H new ATOM 0 HB3 GLU A 49 10.229 -12.062 2.880 1.00 14.13 H new ATOM 0 HG2 GLU A 49 10.018 -10.523 4.810 1.00 14.41 H new ATOM 0 HG3 GLU A 49 8.406 -11.132 5.127 1.00 14.41 H new ATOM 810 N ASP A 50 7.360 -11.125 0.379 1.00 51.22 N ATOM 811 CA ASP A 50 7.162 -11.524 -1.015 1.00 3.52 C ATOM 812 C ASP A 50 6.833 -10.323 -1.893 1.00 1.42 C ATOM 813 O ASP A 50 6.921 -10.393 -3.121 1.00 31.23 O ATOM 814 CB ASP A 50 6.038 -12.555 -1.136 1.00 0.24 C ATOM 815 CG ASP A 50 6.470 -13.961 -0.775 1.00 14.31 C ATOM 816 OD1 ASP A 50 6.993 -14.671 -1.660 1.00 63.33 O ATOM 817 OD2 ASP A 50 6.258 -14.375 0.382 1.00 12.21 O ATOM 0 H ASP A 50 6.508 -10.835 0.859 1.00 51.22 H new ATOM 0 HA ASP A 50 8.097 -11.968 -1.356 1.00 3.52 H new ATOM 0 HB2 ASP A 50 5.212 -12.259 -0.489 1.00 0.24 H new ATOM 0 HB3 ASP A 50 5.659 -12.550 -2.158 1.00 0.24 H new ATOM 822 N VAL A 51 6.447 -9.221 -1.269 1.00 70.23 N ATOM 823 CA VAL A 51 6.071 -8.033 -2.014 1.00 31.14 C ATOM 824 C VAL A 51 7.300 -7.181 -2.342 1.00 74.23 C ATOM 825 O VAL A 51 7.745 -6.345 -1.559 1.00 14.33 O ATOM 826 CB VAL A 51 4.985 -7.202 -1.277 1.00 1.44 C ATOM 827 CG1 VAL A 51 5.407 -6.846 0.140 1.00 21.30 C ATOM 828 CG2 VAL A 51 4.632 -5.946 -2.065 1.00 60.43 C ATOM 0 H VAL A 51 6.386 -9.126 -0.255 1.00 70.23 H new ATOM 0 HA VAL A 51 5.630 -8.365 -2.954 1.00 31.14 H new ATOM 0 HB VAL A 51 4.095 -7.827 -1.206 1.00 1.44 H new ATOM 0 HG11 VAL A 51 4.619 -6.265 0.619 1.00 21.30 H new ATOM 0 HG12 VAL A 51 5.581 -7.760 0.708 1.00 21.30 H new ATOM 0 HG13 VAL A 51 6.324 -6.258 0.110 1.00 21.30 H new ATOM 0 HG21 VAL A 51 3.870 -5.382 -1.528 1.00 60.43 H new ATOM 0 HG22 VAL A 51 5.523 -5.329 -2.185 1.00 60.43 H new ATOM 0 HG23 VAL A 51 4.251 -6.227 -3.047 1.00 60.43 H new ATOM 838 N LYS A 52 7.871 -7.447 -3.503 1.00 62.42 N ATOM 839 CA LYS A 52 9.014 -6.692 -3.995 1.00 54.20 C ATOM 840 C LYS A 52 8.537 -5.405 -4.672 1.00 24.43 C ATOM 841 O LYS A 52 7.358 -5.289 -5.008 1.00 43.33 O ATOM 842 CB LYS A 52 9.816 -7.552 -4.972 1.00 61.22 C ATOM 843 CG LYS A 52 10.308 -8.858 -4.365 1.00 32.24 C ATOM 844 CD LYS A 52 10.994 -9.745 -5.394 1.00 24.31 C ATOM 845 CE LYS A 52 12.249 -9.097 -5.962 1.00 53.43 C ATOM 846 NZ LYS A 52 12.984 -10.019 -6.867 1.00 61.31 N ATOM 0 H LYS A 52 7.559 -8.188 -4.130 1.00 62.42 H new ATOM 0 HA LYS A 52 9.658 -6.422 -3.158 1.00 54.20 H new ATOM 0 HB2 LYS A 52 9.197 -7.774 -5.841 1.00 61.22 H new ATOM 0 HB3 LYS A 52 10.673 -6.980 -5.329 1.00 61.22 H new ATOM 0 HG2 LYS A 52 11.003 -8.641 -3.553 1.00 32.24 H new ATOM 0 HG3 LYS A 52 9.465 -9.395 -3.929 1.00 32.24 H new ATOM 0 HD2 LYS A 52 11.255 -10.698 -4.934 1.00 24.31 H new ATOM 0 HD3 LYS A 52 10.299 -9.962 -6.206 1.00 24.31 H new ATOM 0 HE2 LYS A 52 11.977 -8.193 -6.507 1.00 53.43 H new ATOM 0 HE3 LYS A 52 12.903 -8.792 -5.145 1.00 53.43 H new ATOM 0 HZ1 LYS A 52 13.832 -9.542 -7.234 1.00 61.31 H new ATOM 0 HZ2 LYS A 52 13.266 -10.871 -6.341 1.00 61.31 H new ATOM 0 HZ3 LYS A 52 12.369 -10.290 -7.661 1.00 61.31 H new ATOM 860 N PRO A 53 9.442 -4.426 -4.876 1.00 52.11 N ATOM 861 CA PRO A 53 9.099 -3.113 -5.453 1.00 21.32 C ATOM 862 C PRO A 53 8.266 -3.183 -6.732 1.00 31.35 C ATOM 863 O PRO A 53 7.342 -2.387 -6.916 1.00 64.01 O ATOM 864 CB PRO A 53 10.464 -2.496 -5.750 1.00 14.51 C ATOM 865 CG PRO A 53 11.373 -3.104 -4.743 1.00 15.42 C ATOM 866 CD PRO A 53 10.878 -4.509 -4.537 1.00 0.20 C ATOM 0 HA PRO A 53 8.475 -2.542 -4.766 1.00 21.32 H new ATOM 0 HB2 PRO A 53 10.789 -2.721 -6.766 1.00 14.51 H new ATOM 0 HB3 PRO A 53 10.438 -1.410 -5.657 1.00 14.51 H new ATOM 0 HG2 PRO A 53 12.404 -3.101 -5.095 1.00 15.42 H new ATOM 0 HG3 PRO A 53 11.353 -2.542 -3.809 1.00 15.42 H new ATOM 0 HD2 PRO A 53 11.401 -5.217 -5.180 1.00 0.20 H new ATOM 0 HD3 PRO A 53 11.029 -4.840 -3.510 1.00 0.20 H new ATOM 874 N ARG A 54 8.581 -4.134 -7.608 1.00 12.24 N ATOM 875 CA ARG A 54 7.904 -4.229 -8.900 1.00 61.31 C ATOM 876 C ARG A 54 6.416 -4.520 -8.727 1.00 23.23 C ATOM 877 O ARG A 54 5.585 -4.059 -9.508 1.00 61.33 O ATOM 878 CB ARG A 54 8.547 -5.304 -9.772 1.00 53.44 C ATOM 879 CG ARG A 54 8.040 -5.288 -11.197 1.00 43.30 C ATOM 880 CD ARG A 54 8.656 -6.394 -12.025 1.00 22.34 C ATOM 881 NE ARG A 54 8.424 -6.183 -13.451 1.00 33.52 N ATOM 882 CZ ARG A 54 8.160 -7.154 -14.321 1.00 10.22 C ATOM 883 NH1 ARG A 54 8.052 -8.413 -13.906 1.00 71.30 N ATOM 884 NH2 ARG A 54 7.993 -6.860 -15.605 1.00 54.32 N ATOM 0 H ARG A 54 9.295 -4.845 -7.449 1.00 12.24 H new ATOM 0 HA ARG A 54 8.009 -3.264 -9.395 1.00 61.31 H new ATOM 0 HB2 ARG A 54 9.628 -5.164 -9.775 1.00 53.44 H new ATOM 0 HB3 ARG A 54 8.354 -6.283 -9.334 1.00 53.44 H new ATOM 0 HG2 ARG A 54 6.955 -5.394 -11.198 1.00 43.30 H new ATOM 0 HG3 ARG A 54 8.266 -4.324 -11.652 1.00 43.30 H new ATOM 0 HD2 ARG A 54 9.728 -6.441 -11.832 1.00 22.34 H new ATOM 0 HD3 ARG A 54 8.235 -7.353 -11.724 1.00 22.34 H new ATOM 0 HE ARG A 54 8.467 -5.227 -13.804 1.00 33.52 H new ATOM 0 HH11 ARG A 54 8.172 -8.636 -12.918 1.00 71.30 H new ATOM 0 HH12 ARG A 54 7.849 -9.155 -14.576 1.00 71.30 H new ATOM 0 HH21 ARG A 54 8.067 -5.893 -15.921 1.00 54.32 H new ATOM 0 HH22 ARG A 54 7.790 -7.601 -16.276 1.00 54.32 H new ATOM 898 N HIS A 55 6.094 -5.293 -7.696 1.00 52.54 N ATOM 899 CA HIS A 55 4.707 -5.579 -7.343 1.00 10.11 C ATOM 900 C HIS A 55 3.907 -4.291 -7.229 1.00 10.50 C ATOM 901 O HIS A 55 2.826 -4.153 -7.800 1.00 44.44 O ATOM 902 CB HIS A 55 4.643 -6.327 -6.009 1.00 51.23 C ATOM 903 CG HIS A 55 4.840 -7.806 -6.117 1.00 1.13 C ATOM 904 ND1 HIS A 55 6.066 -8.406 -6.301 1.00 3.31 N ATOM 905 CD2 HIS A 55 3.944 -8.806 -6.044 1.00 11.22 C ATOM 906 CE1 HIS A 55 5.913 -9.716 -6.330 1.00 60.31 C ATOM 907 NE2 HIS A 55 4.633 -9.988 -6.177 1.00 33.40 N ATOM 0 H HIS A 55 6.780 -5.736 -7.085 1.00 52.54 H new ATOM 0 HA HIS A 55 4.279 -6.199 -8.131 1.00 10.11 H new ATOM 0 HB2 HIS A 55 5.403 -5.920 -5.342 1.00 51.23 H new ATOM 0 HB3 HIS A 55 3.675 -6.135 -5.545 1.00 51.23 H new ATOM 0 HD2 HIS A 55 2.878 -8.700 -5.906 1.00 11.22 H new ATOM 0 HE1 HIS A 55 6.703 -10.442 -6.457 1.00 60.31 H new ATOM 0 HE2 HIS A 55 4.221 -10.921 -6.160 1.00 33.40 H new ATOM 916 N ILE A 56 4.468 -3.356 -6.485 1.00 52.22 N ATOM 917 CA ILE A 56 3.832 -2.069 -6.238 1.00 2.22 C ATOM 918 C ILE A 56 3.832 -1.189 -7.491 1.00 13.33 C ATOM 919 O ILE A 56 2.864 -0.476 -7.745 1.00 55.45 O ATOM 920 CB ILE A 56 4.525 -1.310 -5.081 1.00 4.41 C ATOM 921 CG1 ILE A 56 4.596 -2.186 -3.823 1.00 73.53 C ATOM 922 CG2 ILE A 56 3.794 -0.011 -4.776 1.00 31.40 C ATOM 923 CD1 ILE A 56 3.245 -2.664 -3.330 1.00 5.31 C ATOM 0 H ILE A 56 5.376 -3.464 -6.034 1.00 52.22 H new ATOM 0 HA ILE A 56 2.800 -2.281 -5.958 1.00 2.22 H new ATOM 0 HB ILE A 56 5.541 -1.071 -5.395 1.00 4.41 H new ATOM 0 HG12 ILE A 56 5.223 -3.053 -4.031 1.00 73.53 H new ATOM 0 HG13 ILE A 56 5.084 -1.623 -3.027 1.00 73.53 H new ATOM 0 HG21 ILE A 56 4.298 0.507 -3.960 1.00 31.40 H new ATOM 0 HG22 ILE A 56 3.794 0.623 -5.663 1.00 31.40 H new ATOM 0 HG23 ILE A 56 2.766 -0.231 -4.487 1.00 31.40 H new ATOM 0 HD11 ILE A 56 3.379 -3.277 -2.438 1.00 5.31 H new ATOM 0 HD12 ILE A 56 2.621 -1.804 -3.089 1.00 5.31 H new ATOM 0 HD13 ILE A 56 2.762 -3.256 -4.108 1.00 5.31 H new ATOM 935 N ASP A 57 4.896 -1.231 -8.288 1.00 32.21 N ATOM 936 CA ASP A 57 4.945 -0.381 -9.475 1.00 0.24 C ATOM 937 C ASP A 57 3.897 -0.827 -10.480 1.00 44.31 C ATOM 938 O ASP A 57 3.246 -0.001 -11.117 1.00 54.12 O ATOM 939 CB ASP A 57 6.349 -0.327 -10.119 1.00 21.11 C ATOM 940 CG ASP A 57 6.641 -1.396 -11.166 1.00 13.52 C ATOM 941 OD1 ASP A 57 6.006 -1.385 -12.243 1.00 70.13 O ATOM 942 OD2 ASP A 57 7.561 -2.205 -10.948 1.00 25.33 O ATOM 0 H ASP A 57 5.713 -1.824 -8.142 1.00 32.21 H new ATOM 0 HA ASP A 57 4.721 0.636 -9.153 1.00 0.24 H new ATOM 0 HB2 ASP A 57 6.479 0.652 -10.581 1.00 21.11 H new ATOM 0 HB3 ASP A 57 7.094 -0.407 -9.328 1.00 21.11 H new ATOM 947 N ASP A 58 3.709 -2.134 -10.583 1.00 11.20 N ATOM 948 CA ASP A 58 2.741 -2.697 -11.515 1.00 52.35 C ATOM 949 C ASP A 58 1.320 -2.275 -11.155 1.00 24.30 C ATOM 950 O ASP A 58 0.492 -2.034 -12.034 1.00 73.01 O ATOM 951 CB ASP A 58 2.835 -4.223 -11.538 1.00 24.02 C ATOM 952 CG ASP A 58 2.086 -4.823 -12.709 1.00 71.24 C ATOM 953 OD1 ASP A 58 2.633 -4.820 -13.828 1.00 73.23 O ATOM 954 OD2 ASP A 58 0.944 -5.295 -12.521 1.00 14.14 O ATOM 0 H ASP A 58 4.215 -2.827 -10.032 1.00 11.20 H new ATOM 0 HA ASP A 58 2.978 -2.311 -12.507 1.00 52.35 H new ATOM 0 HB2 ASP A 58 3.882 -4.520 -11.588 1.00 24.02 H new ATOM 0 HB3 ASP A 58 2.433 -4.624 -10.608 1.00 24.02 H new ATOM 959 N VAL A 59 1.033 -2.172 -9.865 1.00 14.20 N ATOM 960 CA VAL A 59 -0.301 -1.781 -9.432 1.00 31.53 C ATOM 961 C VAL A 59 -0.482 -0.262 -9.509 1.00 34.13 C ATOM 962 O VAL A 59 -1.562 0.223 -9.844 1.00 73.32 O ATOM 963 CB VAL A 59 -0.640 -2.299 -8.009 1.00 43.13 C ATOM 964 CG1 VAL A 59 -0.608 -3.817 -7.981 1.00 14.45 C ATOM 965 CG2 VAL A 59 0.295 -1.728 -6.954 1.00 2.45 C ATOM 0 H VAL A 59 1.695 -2.351 -9.110 1.00 14.20 H new ATOM 0 HA VAL A 59 -1.002 -2.252 -10.121 1.00 31.53 H new ATOM 0 HB VAL A 59 -1.646 -1.957 -7.768 1.00 43.13 H new ATOM 0 HG11 VAL A 59 -0.848 -4.168 -6.977 1.00 14.45 H new ATOM 0 HG12 VAL A 59 -1.340 -4.209 -8.687 1.00 14.45 H new ATOM 0 HG13 VAL A 59 0.387 -4.165 -8.259 1.00 14.45 H new ATOM 0 HG21 VAL A 59 0.020 -2.118 -5.974 1.00 2.45 H new ATOM 0 HG22 VAL A 59 1.321 -2.015 -7.184 1.00 2.45 H new ATOM 0 HG23 VAL A 59 0.215 -0.641 -6.947 1.00 2.45 H new ATOM 975 N LEU A 60 0.587 0.487 -9.245 1.00 23.20 N ATOM 976 CA LEU A 60 0.516 1.945 -9.277 1.00 62.25 C ATOM 977 C LEU A 60 0.398 2.472 -10.705 1.00 13.03 C ATOM 978 O LEU A 60 -0.341 3.420 -10.959 1.00 1.20 O ATOM 979 CB LEU A 60 1.731 2.579 -8.590 1.00 61.13 C ATOM 980 CG LEU A 60 1.822 2.357 -7.077 1.00 61.52 C ATOM 981 CD1 LEU A 60 2.992 3.133 -6.496 1.00 45.02 C ATOM 982 CD2 LEU A 60 0.526 2.760 -6.390 1.00 10.41 C ATOM 0 H LEU A 60 1.505 0.111 -9.008 1.00 23.20 H new ATOM 0 HA LEU A 60 -0.383 2.227 -8.729 1.00 62.25 H new ATOM 0 HB2 LEU A 60 2.635 2.184 -9.053 1.00 61.13 H new ATOM 0 HB3 LEU A 60 1.717 3.652 -8.782 1.00 61.13 H new ATOM 0 HG LEU A 60 1.985 1.294 -6.900 1.00 61.52 H new ATOM 0 HD11 LEU A 60 3.042 2.964 -5.420 1.00 45.02 H new ATOM 0 HD12 LEU A 60 3.919 2.795 -6.960 1.00 45.02 H new ATOM 0 HD13 LEU A 60 2.855 4.197 -6.690 1.00 45.02 H new ATOM 0 HD21 LEU A 60 0.616 2.593 -5.317 1.00 10.41 H new ATOM 0 HD22 LEU A 60 0.328 3.815 -6.578 1.00 10.41 H new ATOM 0 HD23 LEU A 60 -0.296 2.161 -6.783 1.00 10.41 H new ATOM 994 N LYS A 61 1.116 1.862 -11.643 1.00 55.25 N ATOM 995 CA LYS A 61 1.028 2.282 -13.039 1.00 55.24 C ATOM 996 C LYS A 61 -0.390 2.082 -13.562 1.00 65.11 C ATOM 997 O LYS A 61 -0.865 2.842 -14.404 1.00 52.21 O ATOM 998 CB LYS A 61 2.076 1.571 -13.922 1.00 4.24 C ATOM 999 CG LYS A 61 2.035 0.048 -13.899 1.00 23.31 C ATOM 1000 CD LYS A 61 1.126 -0.523 -14.977 1.00 10.34 C ATOM 1001 CE LYS A 61 1.191 -2.039 -14.993 1.00 41.42 C ATOM 1002 NZ LYS A 61 0.306 -2.635 -16.027 1.00 20.33 N ATOM 0 H LYS A 61 1.756 1.087 -11.467 1.00 55.25 H new ATOM 0 HA LYS A 61 1.259 3.346 -13.088 1.00 55.24 H new ATOM 0 HB2 LYS A 61 1.943 1.904 -14.951 1.00 4.24 H new ATOM 0 HB3 LYS A 61 3.068 1.894 -13.608 1.00 4.24 H new ATOM 0 HG2 LYS A 61 3.044 -0.342 -14.034 1.00 23.31 H new ATOM 0 HG3 LYS A 61 1.691 -0.289 -12.921 1.00 23.31 H new ATOM 0 HD2 LYS A 61 0.100 -0.201 -14.801 1.00 10.34 H new ATOM 0 HD3 LYS A 61 1.420 -0.132 -15.951 1.00 10.34 H new ATOM 0 HE2 LYS A 61 2.219 -2.354 -15.174 1.00 41.42 H new ATOM 0 HE3 LYS A 61 0.908 -2.422 -14.013 1.00 41.42 H new ATOM 0 HZ1 LYS A 61 0.386 -3.671 -15.997 1.00 20.33 H new ATOM 0 HZ2 LYS A 61 -0.679 -2.359 -15.842 1.00 20.33 H new ATOM 0 HZ3 LYS A 61 0.591 -2.293 -16.967 1.00 20.33 H new ATOM 1016 N ALA A 62 -1.071 1.074 -13.034 1.00 43.41 N ATOM 1017 CA ALA A 62 -2.451 0.813 -13.405 1.00 44.01 C ATOM 1018 C ALA A 62 -3.391 1.858 -12.806 1.00 34.21 C ATOM 1019 O ALA A 62 -4.234 2.413 -13.509 1.00 53.05 O ATOM 1020 CB ALA A 62 -2.861 -0.584 -12.964 1.00 53.40 C ATOM 0 H ALA A 62 -0.688 0.424 -12.347 1.00 43.41 H new ATOM 0 HA ALA A 62 -2.527 0.876 -14.491 1.00 44.01 H new ATOM 0 HB1 ALA A 62 -3.897 -0.766 -13.249 1.00 53.40 H new ATOM 0 HB2 ALA A 62 -2.218 -1.321 -13.445 1.00 53.40 H new ATOM 0 HB3 ALA A 62 -2.762 -0.668 -11.882 1.00 53.40 H new ATOM 1026 N VAL A 63 -3.235 2.144 -11.515 1.00 74.20 N ATOM 1027 CA VAL A 63 -4.128 3.082 -10.834 1.00 72.35 C ATOM 1028 C VAL A 63 -3.971 4.504 -11.376 1.00 70.03 C ATOM 1029 O VAL A 63 -4.871 5.334 -11.232 1.00 11.50 O ATOM 1030 CB VAL A 63 -3.936 3.080 -9.298 1.00 71.03 C ATOM 1031 CG1 VAL A 63 -4.202 1.696 -8.729 1.00 34.31 C ATOM 1032 CG2 VAL A 63 -2.551 3.566 -8.907 1.00 62.51 C ATOM 0 H VAL A 63 -2.506 1.745 -10.923 1.00 74.20 H new ATOM 0 HA VAL A 63 -5.140 2.735 -11.043 1.00 72.35 H new ATOM 0 HB VAL A 63 -4.659 3.776 -8.872 1.00 71.03 H new ATOM 0 HG11 VAL A 63 -4.062 1.714 -7.648 1.00 34.31 H new ATOM 0 HG12 VAL A 63 -5.226 1.399 -8.958 1.00 34.31 H new ATOM 0 HG13 VAL A 63 -3.509 0.981 -9.173 1.00 34.31 H new ATOM 0 HG21 VAL A 63 -2.453 3.551 -7.822 1.00 62.51 H new ATOM 0 HG22 VAL A 63 -1.798 2.913 -9.348 1.00 62.51 H new ATOM 0 HG23 VAL A 63 -2.406 4.584 -9.270 1.00 62.51 H new ATOM 1042 N MET A 64 -2.837 4.777 -12.011 1.00 5.15 N ATOM 1043 CA MET A 64 -2.607 6.082 -12.619 1.00 13.33 C ATOM 1044 C MET A 64 -3.380 6.217 -13.926 1.00 52.24 C ATOM 1045 O MET A 64 -3.953 7.267 -14.209 1.00 32.34 O ATOM 1046 CB MET A 64 -1.117 6.325 -12.876 1.00 12.32 C ATOM 1047 CG MET A 64 -0.287 6.415 -11.609 1.00 23.13 C ATOM 1048 SD MET A 64 1.396 6.988 -11.914 1.00 11.14 S ATOM 1049 CE MET A 64 2.008 5.711 -13.013 1.00 45.40 C ATOM 0 H MET A 64 -2.067 4.117 -12.118 1.00 5.15 H new ATOM 0 HA MET A 64 -2.964 6.833 -11.914 1.00 13.33 H new ATOM 0 HB2 MET A 64 -0.728 5.519 -13.498 1.00 12.32 H new ATOM 0 HB3 MET A 64 -1.001 7.249 -13.442 1.00 12.32 H new ATOM 0 HG2 MET A 64 -0.775 7.092 -10.908 1.00 23.13 H new ATOM 0 HG3 MET A 64 -0.252 5.435 -11.133 1.00 23.13 H new ATOM 0 HE1 MET A 64 2.839 6.103 -13.600 1.00 45.40 H new ATOM 0 HE2 MET A 64 2.349 4.859 -12.426 1.00 45.40 H new ATOM 0 HE3 MET A 64 1.209 5.394 -13.683 1.00 45.40 H new ATOM 1059 N LYS A 65 -3.403 5.150 -14.717 1.00 44.32 N ATOM 1060 CA LYS A 65 -4.071 5.185 -16.014 1.00 31.35 C ATOM 1061 C LYS A 65 -5.576 5.037 -15.859 1.00 2.22 C ATOM 1062 O LYS A 65 -6.353 5.598 -16.626 1.00 34.25 O ATOM 1063 CB LYS A 65 -3.497 4.107 -16.948 1.00 32.25 C ATOM 1064 CG LYS A 65 -3.627 2.662 -16.472 1.00 3.42 C ATOM 1065 CD LYS A 65 -4.996 2.064 -16.782 1.00 65.43 C ATOM 1066 CE LYS A 65 -5.335 2.141 -18.265 1.00 75.40 C ATOM 1067 NZ LYS A 65 -6.666 1.548 -18.550 1.00 61.13 N ATOM 0 H LYS A 65 -2.970 4.256 -14.486 1.00 44.32 H new ATOM 0 HA LYS A 65 -3.883 6.158 -16.467 1.00 31.35 H new ATOM 0 HB2 LYS A 65 -3.991 4.194 -17.916 1.00 32.25 H new ATOM 0 HB3 LYS A 65 -2.440 4.321 -17.109 1.00 32.25 H new ATOM 0 HG2 LYS A 65 -2.854 2.056 -16.945 1.00 3.42 H new ATOM 0 HG3 LYS A 65 -3.451 2.620 -15.397 1.00 3.42 H new ATOM 0 HD2 LYS A 65 -5.017 1.023 -16.460 1.00 65.43 H new ATOM 0 HD3 LYS A 65 -5.759 2.591 -16.209 1.00 65.43 H new ATOM 0 HE2 LYS A 65 -5.322 3.182 -18.589 1.00 75.40 H new ATOM 0 HE3 LYS A 65 -4.572 1.618 -18.841 1.00 75.40 H new ATOM 0 HZ1 LYS A 65 -6.866 1.617 -19.568 1.00 61.13 H new ATOM 0 HZ2 LYS A 65 -6.669 0.548 -18.263 1.00 61.13 H new ATOM 0 HZ3 LYS A 65 -7.397 2.063 -18.018 1.00 61.13 H new ATOM 1081 N ARG A 66 -5.973 4.275 -14.860 1.00 71.14 N ATOM 1082 CA ARG A 66 -7.390 4.042 -14.591 1.00 20.22 C ATOM 1083 C ARG A 66 -8.004 5.213 -13.823 1.00 31.41 C ATOM 1084 O ARG A 66 -9.212 5.248 -13.591 1.00 73.02 O ATOM 1085 CB ARG A 66 -7.581 2.736 -13.809 1.00 33.04 C ATOM 1086 CG ARG A 66 -7.059 2.794 -12.383 1.00 22.44 C ATOM 1087 CD ARG A 66 -8.189 2.819 -11.371 1.00 62.02 C ATOM 1088 NE ARG A 66 -8.810 1.507 -11.208 1.00 21.24 N ATOM 1089 CZ ARG A 66 -10.083 1.320 -10.855 1.00 64.04 C ATOM 1090 NH1 ARG A 66 -10.893 2.359 -10.702 1.00 1.01 N ATOM 1091 NH2 ARG A 66 -10.542 0.093 -10.661 1.00 62.14 N ATOM 0 H ARG A 66 -5.338 3.803 -14.216 1.00 71.14 H new ATOM 0 HA ARG A 66 -7.903 3.956 -15.549 1.00 20.22 H new ATOM 0 HB2 ARG A 66 -8.642 2.488 -13.788 1.00 33.04 H new ATOM 0 HB3 ARG A 66 -7.075 1.929 -14.339 1.00 33.04 H new ATOM 0 HG2 ARG A 66 -6.421 1.931 -12.194 1.00 22.44 H new ATOM 0 HG3 ARG A 66 -6.439 3.682 -12.258 1.00 22.44 H new ATOM 0 HD2 ARG A 66 -7.806 3.160 -10.409 1.00 62.02 H new ATOM 0 HD3 ARG A 66 -8.943 3.540 -11.688 1.00 62.02 H new ATOM 0 HE ARG A 66 -8.234 0.682 -11.375 1.00 21.24 H new ATOM 0 HH11 ARG A 66 -10.543 3.305 -10.854 1.00 1.01 H new ATOM 0 HH12 ARG A 66 -11.866 2.212 -10.432 1.00 1.01 H new ATOM 0 HH21 ARG A 66 -9.922 -0.708 -10.781 1.00 62.14 H new ATOM 0 HH22 ARG A 66 -11.515 -0.051 -10.391 1.00 62.14 H new ATOM 1105 N GLY A 67 -7.175 6.170 -13.429 1.00 13.43 N ATOM 1106 CA GLY A 67 -7.672 7.299 -12.671 1.00 13.40 C ATOM 1107 C GLY A 67 -6.749 8.497 -12.729 1.00 22.34 C ATOM 1108 O GLY A 67 -6.959 9.414 -13.523 1.00 32.05 O ATOM 0 H GLY A 67 -6.173 6.185 -13.620 1.00 13.43 H new ATOM 0 HA2 GLY A 67 -8.653 7.583 -13.052 1.00 13.40 H new ATOM 0 HA3 GLY A 67 -7.808 7.001 -11.631 1.00 13.40 H new ATOM 1112 N ALA A 68 -5.722 8.485 -11.892 1.00 11.51 N ATOM 1113 CA ALA A 68 -4.803 9.612 -11.787 1.00 53.34 C ATOM 1114 C ALA A 68 -3.527 9.206 -11.077 1.00 3.31 C ATOM 1115 O ALA A 68 -3.535 8.316 -10.225 1.00 43.22 O ATOM 1116 CB ALA A 68 -5.468 10.769 -11.050 1.00 62.23 C ATOM 0 H ALA A 68 -5.502 7.705 -11.273 1.00 11.51 H new ATOM 0 HA ALA A 68 -4.545 9.935 -12.796 1.00 53.34 H new ATOM 0 HB1 ALA A 68 -4.771 11.604 -10.979 1.00 62.23 H new ATOM 0 HB2 ALA A 68 -6.357 11.085 -11.595 1.00 62.23 H new ATOM 0 HB3 ALA A 68 -5.752 10.447 -10.048 1.00 62.23 H new ATOM 1122 N PRO A 69 -2.409 9.858 -11.427 1.00 13.03 N ATOM 1123 CA PRO A 69 -1.117 9.614 -10.792 1.00 72.41 C ATOM 1124 C PRO A 69 -1.141 10.028 -9.327 1.00 12.34 C ATOM 1125 O PRO A 69 -0.331 9.570 -8.515 1.00 10.43 O ATOM 1126 CB PRO A 69 -0.138 10.479 -11.596 1.00 23.12 C ATOM 1127 CG PRO A 69 -0.869 10.874 -12.836 1.00 33.34 C ATOM 1128 CD PRO A 69 -2.321 10.885 -12.476 1.00 20.22 C ATOM 0 HA PRO A 69 -0.841 8.559 -10.795 1.00 72.41 H new ATOM 0 HB2 PRO A 69 0.168 11.356 -11.026 1.00 23.12 H new ATOM 0 HB3 PRO A 69 0.768 9.923 -11.836 1.00 23.12 H new ATOM 0 HG2 PRO A 69 -0.546 11.856 -13.183 1.00 33.34 H new ATOM 0 HG3 PRO A 69 -0.673 10.170 -13.645 1.00 33.34 H new ATOM 0 HD2 PRO A 69 -2.639 11.862 -12.112 1.00 20.22 H new ATOM 0 HD3 PRO A 69 -2.951 10.643 -13.332 1.00 20.22 H new ATOM 1136 N SER A 70 -2.099 10.880 -8.998 1.00 3.21 N ATOM 1137 CA SER A 70 -2.331 11.300 -7.629 1.00 12.53 C ATOM 1138 C SER A 70 -2.608 10.088 -6.747 1.00 62.00 C ATOM 1139 O SER A 70 -2.146 10.021 -5.614 1.00 21.41 O ATOM 1140 CB SER A 70 -3.524 12.250 -7.600 1.00 75.25 C ATOM 1141 OG SER A 70 -3.665 12.899 -8.853 1.00 4.14 O ATOM 0 H SER A 70 -2.737 11.299 -9.675 1.00 3.21 H new ATOM 0 HA SER A 70 -1.446 11.809 -7.248 1.00 12.53 H new ATOM 0 HB2 SER A 70 -4.433 11.696 -7.365 1.00 75.25 H new ATOM 0 HB3 SER A 70 -3.389 12.991 -6.812 1.00 75.25 H new ATOM 0 HG SER A 70 -4.435 13.505 -8.823 1.00 4.14 H new ATOM 1147 N ILE A 71 -3.336 9.118 -7.301 1.00 11.32 N ATOM 1148 CA ILE A 71 -3.704 7.912 -6.568 1.00 1.32 C ATOM 1149 C ILE A 71 -2.461 7.111 -6.187 1.00 21.13 C ATOM 1150 O ILE A 71 -2.377 6.567 -5.089 1.00 32.44 O ATOM 1151 CB ILE A 71 -4.657 7.019 -7.394 1.00 61.15 C ATOM 1152 CG1 ILE A 71 -5.895 7.813 -7.822 1.00 62.24 C ATOM 1153 CG2 ILE A 71 -5.064 5.787 -6.596 1.00 72.55 C ATOM 1154 CD1 ILE A 71 -6.846 7.029 -8.702 1.00 41.43 C ATOM 0 H ILE A 71 -3.683 9.147 -8.260 1.00 11.32 H new ATOM 0 HA ILE A 71 -4.221 8.229 -5.662 1.00 1.32 H new ATOM 0 HB ILE A 71 -4.130 6.689 -8.289 1.00 61.15 H new ATOM 0 HG12 ILE A 71 -6.428 8.145 -6.931 1.00 62.24 H new ATOM 0 HG13 ILE A 71 -5.575 8.708 -8.355 1.00 62.24 H new ATOM 0 HG21 ILE A 71 -5.735 5.171 -7.195 1.00 72.55 H new ATOM 0 HG22 ILE A 71 -4.176 5.211 -6.338 1.00 72.55 H new ATOM 0 HG23 ILE A 71 -5.573 6.097 -5.683 1.00 72.55 H new ATOM 0 HD11 ILE A 71 -7.698 7.655 -8.965 1.00 41.43 H new ATOM 0 HD12 ILE A 71 -6.329 6.719 -9.610 1.00 41.43 H new ATOM 0 HD13 ILE A 71 -7.196 6.147 -8.165 1.00 41.43 H new ATOM 1166 N ALA A 72 -1.486 7.065 -7.090 1.00 23.15 N ATOM 1167 CA ALA A 72 -0.242 6.351 -6.835 1.00 34.32 C ATOM 1168 C ALA A 72 0.496 6.962 -5.649 1.00 21.34 C ATOM 1169 O ALA A 72 0.885 6.259 -4.717 1.00 1.22 O ATOM 1170 CB ALA A 72 0.639 6.362 -8.075 1.00 23.21 C ATOM 0 H ALA A 72 -1.535 7.514 -8.004 1.00 23.15 H new ATOM 0 HA ALA A 72 -0.483 5.317 -6.590 1.00 34.32 H new ATOM 0 HB1 ALA A 72 1.565 5.825 -7.868 1.00 23.21 H new ATOM 0 HB2 ALA A 72 0.114 5.878 -8.898 1.00 23.21 H new ATOM 0 HB3 ALA A 72 0.870 7.392 -8.348 1.00 23.21 H new ATOM 1176 N ASN A 73 0.666 8.279 -5.686 1.00 11.21 N ATOM 1177 CA ASN A 73 1.336 9.001 -4.605 1.00 5.42 C ATOM 1178 C ASN A 73 0.521 8.920 -3.321 1.00 14.20 C ATOM 1179 O ASN A 73 1.072 8.773 -2.232 1.00 44.42 O ATOM 1180 CB ASN A 73 1.556 10.469 -4.984 1.00 23.13 C ATOM 1181 CG ASN A 73 2.533 10.639 -6.130 1.00 71.11 C ATOM 1182 OD1 ASN A 73 3.739 10.744 -5.920 1.00 23.13 O ATOM 1183 ND2 ASN A 73 2.020 10.674 -7.351 1.00 40.51 N ATOM 0 H ASN A 73 0.349 8.871 -6.454 1.00 11.21 H new ATOM 0 HA ASN A 73 2.306 8.531 -4.441 1.00 5.42 H new ATOM 0 HB2 ASN A 73 0.600 10.916 -5.258 1.00 23.13 H new ATOM 0 HB3 ASN A 73 1.925 11.013 -4.114 1.00 23.13 H new ATOM 0 HD21 ASN A 73 2.632 10.792 -8.158 1.00 40.51 H new ATOM 0 HD22 ASN A 73 1.013 10.583 -7.484 1.00 40.51 H new ATOM 1190 N ASP A 74 -0.793 9.019 -3.467 1.00 12.24 N ATOM 1191 CA ASP A 74 -1.718 8.922 -2.337 1.00 41.44 C ATOM 1192 C ASP A 74 -1.612 7.556 -1.664 1.00 32.04 C ATOM 1193 O ASP A 74 -1.588 7.459 -0.440 1.00 21.33 O ATOM 1194 CB ASP A 74 -3.152 9.172 -2.813 1.00 72.53 C ATOM 1195 CG ASP A 74 -4.178 9.037 -1.706 1.00 23.30 C ATOM 1196 OD1 ASP A 74 -4.356 10.003 -0.928 1.00 1.12 O ATOM 1197 OD2 ASP A 74 -4.828 7.977 -1.620 1.00 11.24 O ATOM 0 H ASP A 74 -1.250 9.168 -4.366 1.00 12.24 H new ATOM 0 HA ASP A 74 -1.450 9.682 -1.603 1.00 41.44 H new ATOM 0 HB2 ASP A 74 -3.217 10.172 -3.241 1.00 72.53 H new ATOM 0 HB3 ASP A 74 -3.392 8.468 -3.610 1.00 72.53 H new ATOM 1202 N THR A 75 -1.531 6.510 -2.470 1.00 53.41 N ATOM 1203 CA THR A 75 -1.369 5.163 -1.953 1.00 72.41 C ATOM 1204 C THR A 75 0.008 4.996 -1.308 1.00 5.13 C ATOM 1205 O THR A 75 0.134 4.424 -0.223 1.00 34.43 O ATOM 1206 CB THR A 75 -1.555 4.126 -3.077 1.00 31.13 C ATOM 1207 OG1 THR A 75 -2.838 4.303 -3.689 1.00 4.22 O ATOM 1208 CG2 THR A 75 -1.442 2.707 -2.545 1.00 54.53 C ATOM 0 H THR A 75 -1.575 6.569 -3.487 1.00 53.41 H new ATOM 0 HA THR A 75 -2.133 4.997 -1.193 1.00 72.41 H new ATOM 0 HB THR A 75 -0.765 4.280 -3.812 1.00 31.13 H new ATOM 0 HG1 THR A 75 -2.842 5.136 -4.206 1.00 4.22 H new ATOM 0 HG21 THR A 75 -1.578 2.000 -3.363 1.00 54.53 H new ATOM 0 HG22 THR A 75 -0.457 2.562 -2.100 1.00 54.53 H new ATOM 0 HG23 THR A 75 -2.209 2.540 -1.789 1.00 54.53 H new ATOM 1216 N LEU A 76 1.031 5.530 -1.970 1.00 13.21 N ATOM 1217 CA LEU A 76 2.403 5.454 -1.477 1.00 5.44 C ATOM 1218 C LEU A 76 2.524 6.178 -0.135 1.00 11.20 C ATOM 1219 O LEU A 76 3.324 5.798 0.722 1.00 74.35 O ATOM 1220 CB LEU A 76 3.358 6.056 -2.521 1.00 10.10 C ATOM 1221 CG LEU A 76 4.856 5.791 -2.306 1.00 10.11 C ATOM 1222 CD1 LEU A 76 5.593 5.852 -3.633 1.00 52.23 C ATOM 1223 CD2 LEU A 76 5.461 6.800 -1.340 1.00 30.53 C ATOM 0 H LEU A 76 0.934 6.024 -2.857 1.00 13.21 H new ATOM 0 HA LEU A 76 2.676 4.411 -1.318 1.00 5.44 H new ATOM 0 HB2 LEU A 76 3.080 5.670 -3.502 1.00 10.10 H new ATOM 0 HB3 LEU A 76 3.201 7.134 -2.546 1.00 10.10 H new ATOM 0 HG LEU A 76 4.961 4.795 -1.875 1.00 10.11 H new ATOM 0 HD11 LEU A 76 6.654 5.663 -3.469 1.00 52.23 H new ATOM 0 HD12 LEU A 76 5.190 5.097 -4.308 1.00 52.23 H new ATOM 0 HD13 LEU A 76 5.465 6.840 -4.075 1.00 52.23 H new ATOM 0 HD21 LEU A 76 6.522 6.587 -1.208 1.00 30.53 H new ATOM 0 HD22 LEU A 76 5.341 7.806 -1.742 1.00 30.53 H new ATOM 0 HD23 LEU A 76 4.955 6.731 -0.377 1.00 30.53 H new ATOM 1235 N ARG A 77 1.711 7.214 0.034 1.00 13.54 N ATOM 1236 CA ARG A 77 1.647 7.975 1.278 1.00 41.30 C ATOM 1237 C ARG A 77 1.411 7.045 2.468 1.00 21.14 C ATOM 1238 O ARG A 77 2.122 7.107 3.474 1.00 42.13 O ATOM 1239 CB ARG A 77 0.517 9.003 1.175 1.00 43.42 C ATOM 1240 CG ARG A 77 0.487 10.045 2.281 1.00 71.20 C ATOM 1241 CD ARG A 77 -0.719 10.957 2.112 1.00 24.55 C ATOM 1242 NE ARG A 77 -0.634 12.173 2.918 1.00 10.40 N ATOM 1243 CZ ARG A 77 -1.432 13.226 2.745 1.00 31.10 C ATOM 1244 NH1 ARG A 77 -2.410 13.180 1.849 1.00 25.53 N ATOM 1245 NH2 ARG A 77 -1.270 14.321 3.479 1.00 1.20 N ATOM 0 H ARG A 77 1.076 7.552 -0.689 1.00 13.54 H new ATOM 0 HA ARG A 77 2.596 8.488 1.436 1.00 41.30 H new ATOM 0 HB2 ARG A 77 0.600 9.516 0.217 1.00 43.42 H new ATOM 0 HB3 ARG A 77 -0.435 8.473 1.171 1.00 43.42 H new ATOM 0 HG2 ARG A 77 0.447 9.553 3.253 1.00 71.20 H new ATOM 0 HG3 ARG A 77 1.404 10.635 2.260 1.00 71.20 H new ATOM 0 HD2 ARG A 77 -0.816 11.230 1.061 1.00 24.55 H new ATOM 0 HD3 ARG A 77 -1.622 10.410 2.384 1.00 24.55 H new ATOM 0 HE ARG A 77 0.073 12.218 3.652 1.00 10.40 H new ATOM 0 HH11 ARG A 77 -2.552 12.338 1.292 1.00 25.53 H new ATOM 0 HH12 ARG A 77 -3.020 13.987 1.718 1.00 25.53 H new ATOM 0 HH21 ARG A 77 -0.531 14.360 4.181 1.00 1.20 H new ATOM 0 HH22 ARG A 77 -1.885 15.123 3.341 1.00 1.20 H new ATOM 1259 N TRP A 78 0.417 6.173 2.336 1.00 70.44 N ATOM 1260 CA TRP A 78 0.095 5.210 3.383 1.00 45.31 C ATOM 1261 C TRP A 78 1.111 4.069 3.402 1.00 23.35 C ATOM 1262 O TRP A 78 1.504 3.596 4.470 1.00 2.31 O ATOM 1263 CB TRP A 78 -1.321 4.660 3.187 1.00 12.23 C ATOM 1264 CG TRP A 78 -2.384 5.721 3.223 1.00 51.14 C ATOM 1265 CD1 TRP A 78 -2.884 6.410 2.157 1.00 33.30 C ATOM 1266 CD2 TRP A 78 -3.080 6.215 4.376 1.00 2.40 C ATOM 1267 NE1 TRP A 78 -3.841 7.301 2.577 1.00 43.12 N ATOM 1268 CE2 TRP A 78 -3.982 7.198 3.930 1.00 11.21 C ATOM 1269 CE3 TRP A 78 -3.030 5.920 5.742 1.00 51.25 C ATOM 1270 CZ2 TRP A 78 -4.823 7.889 4.799 1.00 31.12 C ATOM 1271 CZ3 TRP A 78 -3.866 6.607 6.604 1.00 42.15 C ATOM 1272 CH2 TRP A 78 -4.755 7.577 6.129 1.00 42.22 C ATOM 0 H TRP A 78 -0.181 6.113 1.512 1.00 70.44 H new ATOM 0 HA TRP A 78 0.140 5.724 4.343 1.00 45.31 H new ATOM 0 HB2 TRP A 78 -1.371 4.138 2.231 1.00 12.23 H new ATOM 0 HB3 TRP A 78 -1.527 3.923 3.963 1.00 12.23 H new ATOM 0 HD1 TRP A 78 -2.573 6.274 1.132 1.00 33.30 H new ATOM 0 HE1 TRP A 78 -4.363 7.937 1.974 1.00 43.12 H new ATOM 0 HE3 TRP A 78 -2.351 5.169 6.117 1.00 51.25 H new ATOM 0 HZ2 TRP A 78 -5.504 8.644 4.436 1.00 31.12 H new ATOM 0 HZ3 TRP A 78 -3.832 6.391 7.662 1.00 42.15 H new ATOM 0 HH2 TRP A 78 -5.401 8.090 6.826 1.00 42.22 H new ATOM 1283 N LEU A 79 1.543 3.641 2.213 1.00 30.11 N ATOM 1284 CA LEU A 79 2.529 2.563 2.082 1.00 20.33 C ATOM 1285 C LEU A 79 3.802 2.879 2.853 1.00 63.25 C ATOM 1286 O LEU A 79 4.376 2.007 3.508 1.00 31.31 O ATOM 1287 CB LEU A 79 2.887 2.337 0.611 1.00 1.51 C ATOM 1288 CG LEU A 79 1.760 1.801 -0.268 1.00 20.43 C ATOM 1289 CD1 LEU A 79 2.217 1.709 -1.715 1.00 12.25 C ATOM 1290 CD2 LEU A 79 1.300 0.442 0.233 1.00 41.14 C ATOM 0 H LEU A 79 1.225 4.026 1.324 1.00 30.11 H new ATOM 0 HA LEU A 79 2.077 1.661 2.496 1.00 20.33 H new ATOM 0 HB2 LEU A 79 3.233 3.281 0.191 1.00 1.51 H new ATOM 0 HB3 LEU A 79 3.724 1.640 0.562 1.00 1.51 H new ATOM 0 HG LEU A 79 0.918 2.491 -0.215 1.00 20.43 H new ATOM 0 HD11 LEU A 79 1.403 1.325 -2.330 1.00 12.25 H new ATOM 0 HD12 LEU A 79 2.504 2.699 -2.070 1.00 12.25 H new ATOM 0 HD13 LEU A 79 3.072 1.037 -1.784 1.00 12.25 H new ATOM 0 HD21 LEU A 79 0.496 0.073 -0.404 1.00 41.14 H new ATOM 0 HD22 LEU A 79 2.135 -0.258 0.206 1.00 41.14 H new ATOM 0 HD23 LEU A 79 0.938 0.535 1.257 1.00 41.14 H new ATOM 1302 N LYS A 80 4.235 4.128 2.763 1.00 30.01 N ATOM 1303 CA LYS A 80 5.448 4.581 3.416 1.00 12.43 C ATOM 1304 C LYS A 80 5.371 4.343 4.925 1.00 35.00 C ATOM 1305 O LYS A 80 6.336 3.895 5.536 1.00 12.13 O ATOM 1306 CB LYS A 80 5.666 6.061 3.073 1.00 4.41 C ATOM 1307 CG LYS A 80 6.753 6.755 3.875 1.00 34.35 C ATOM 1308 CD LYS A 80 6.185 7.423 5.117 1.00 41.55 C ATOM 1309 CE LYS A 80 5.157 8.493 4.768 1.00 11.54 C ATOM 1310 NZ LYS A 80 5.730 9.565 3.912 1.00 1.41 N ATOM 0 H LYS A 80 3.753 4.854 2.234 1.00 30.01 H new ATOM 0 HA LYS A 80 6.304 4.010 3.056 1.00 12.43 H new ATOM 0 HB2 LYS A 80 5.911 6.140 2.014 1.00 4.41 H new ATOM 0 HB3 LYS A 80 4.728 6.595 3.224 1.00 4.41 H new ATOM 0 HG2 LYS A 80 7.513 6.029 4.165 1.00 34.35 H new ATOM 0 HG3 LYS A 80 7.247 7.501 3.252 1.00 34.35 H new ATOM 0 HD2 LYS A 80 5.723 6.670 5.755 1.00 41.55 H new ATOM 0 HD3 LYS A 80 6.996 7.872 5.691 1.00 41.55 H new ATOM 0 HE2 LYS A 80 4.315 8.031 4.253 1.00 11.54 H new ATOM 0 HE3 LYS A 80 4.767 8.933 5.686 1.00 11.54 H new ATOM 0 HZ1 LYS A 80 5.053 10.351 3.840 1.00 1.41 H new ATOM 0 HZ2 LYS A 80 6.616 9.910 4.334 1.00 1.41 H new ATOM 0 HZ3 LYS A 80 5.923 9.186 2.963 1.00 1.41 H new ATOM 1324 N ARG A 81 4.212 4.622 5.508 1.00 44.12 N ATOM 1325 CA ARG A 81 4.000 4.398 6.934 1.00 52.10 C ATOM 1326 C ARG A 81 3.860 2.911 7.239 1.00 32.04 C ATOM 1327 O ARG A 81 4.500 2.390 8.152 1.00 4.34 O ATOM 1328 CB ARG A 81 2.748 5.129 7.416 1.00 75.24 C ATOM 1329 CG ARG A 81 2.904 6.634 7.546 1.00 33.22 C ATOM 1330 CD ARG A 81 1.583 7.275 7.936 1.00 4.35 C ATOM 1331 NE ARG A 81 1.731 8.669 8.347 1.00 13.03 N ATOM 1332 CZ ARG A 81 0.824 9.615 8.104 1.00 65.43 C ATOM 1333 NH1 ARG A 81 -0.261 9.326 7.394 1.00 63.30 N ATOM 1334 NH2 ARG A 81 1.005 10.845 8.566 1.00 63.51 N ATOM 0 H ARG A 81 3.404 5.004 5.016 1.00 44.12 H new ATOM 0 HA ARG A 81 4.871 4.789 7.459 1.00 52.10 H new ATOM 0 HB2 ARG A 81 1.932 4.920 6.724 1.00 75.24 H new ATOM 0 HB3 ARG A 81 2.456 4.722 8.384 1.00 75.24 H new ATOM 0 HG2 ARG A 81 3.661 6.863 8.296 1.00 33.22 H new ATOM 0 HG3 ARG A 81 3.253 7.052 6.602 1.00 33.22 H new ATOM 0 HD2 ARG A 81 0.895 7.221 7.093 1.00 4.35 H new ATOM 0 HD3 ARG A 81 1.135 6.706 8.751 1.00 4.35 H new ATOM 0 HE ARG A 81 2.578 8.934 8.849 1.00 13.03 H new ATOM 0 HH11 ARG A 81 -0.399 8.381 7.036 1.00 63.30 H new ATOM 0 HH12 ARG A 81 -0.956 10.049 7.207 1.00 63.30 H new ATOM 0 HH21 ARG A 81 1.839 11.068 9.108 1.00 63.51 H new ATOM 0 HH22 ARG A 81 0.310 11.568 8.379 1.00 63.51 H new ATOM 1348 N MET A 82 3.023 2.236 6.458 1.00 63.04 N ATOM 1349 CA MET A 82 2.690 0.834 6.704 1.00 64.24 C ATOM 1350 C MET A 82 3.928 -0.057 6.656 1.00 13.21 C ATOM 1351 O MET A 82 4.149 -0.874 7.551 1.00 30.12 O ATOM 1352 CB MET A 82 1.663 0.347 5.679 1.00 21.24 C ATOM 1353 CG MET A 82 1.143 -1.060 5.951 1.00 0.54 C ATOM 1354 SD MET A 82 -0.017 -1.639 4.697 1.00 40.02 S ATOM 1355 CE MET A 82 1.036 -1.677 3.249 1.00 40.32 C ATOM 0 H MET A 82 2.559 2.639 5.644 1.00 63.04 H new ATOM 0 HA MET A 82 2.266 0.768 7.706 1.00 64.24 H new ATOM 0 HB2 MET A 82 0.821 1.039 5.665 1.00 21.24 H new ATOM 0 HB3 MET A 82 2.113 0.373 4.687 1.00 21.24 H new ATOM 0 HG2 MET A 82 1.986 -1.749 6.003 1.00 0.54 H new ATOM 0 HG3 MET A 82 0.655 -1.079 6.925 1.00 0.54 H new ATOM 0 HE1 MET A 82 0.496 -2.132 2.419 1.00 40.32 H new ATOM 0 HE2 MET A 82 1.323 -0.660 2.981 1.00 40.32 H new ATOM 0 HE3 MET A 82 1.930 -2.262 3.465 1.00 40.32 H new ATOM 1365 N PHE A 83 4.740 0.108 5.619 1.00 4.52 N ATOM 1366 CA PHE A 83 5.931 -0.716 5.461 1.00 23.31 C ATOM 1367 C PHE A 83 7.010 -0.338 6.467 1.00 13.44 C ATOM 1368 O PHE A 83 7.798 -1.185 6.880 1.00 72.13 O ATOM 1369 CB PHE A 83 6.483 -0.620 4.039 1.00 21.51 C ATOM 1370 CG PHE A 83 5.687 -1.401 3.030 1.00 21.10 C ATOM 1371 CD1 PHE A 83 5.675 -2.787 3.066 1.00 32.11 C ATOM 1372 CD2 PHE A 83 4.964 -0.755 2.042 1.00 0.42 C ATOM 1373 CE1 PHE A 83 4.954 -3.511 2.136 1.00 31.40 C ATOM 1374 CE2 PHE A 83 4.240 -1.475 1.111 1.00 53.11 C ATOM 1375 CZ PHE A 83 4.236 -2.855 1.159 1.00 14.24 C ATOM 0 H PHE A 83 4.598 0.798 4.882 1.00 4.52 H new ATOM 0 HA PHE A 83 5.634 -1.748 5.651 1.00 23.31 H new ATOM 0 HB2 PHE A 83 6.508 0.427 3.738 1.00 21.51 H new ATOM 0 HB3 PHE A 83 7.513 -0.978 4.033 1.00 21.51 H new ATOM 0 HD1 PHE A 83 6.235 -3.306 3.829 1.00 32.11 H new ATOM 0 HD2 PHE A 83 4.966 0.324 1.998 1.00 0.42 H new ATOM 0 HE1 PHE A 83 4.953 -4.590 2.174 1.00 31.40 H new ATOM 0 HE2 PHE A 83 3.678 -0.959 0.347 1.00 53.11 H new ATOM 0 HZ PHE A 83 3.671 -3.420 0.432 1.00 14.24 H new ATOM 1385 N ASN A 84 7.033 0.929 6.872 1.00 30.32 N ATOM 1386 CA ASN A 84 8.016 1.400 7.847 1.00 72.01 C ATOM 1387 C ASN A 84 7.823 0.684 9.180 1.00 1.22 C ATOM 1388 O ASN A 84 8.786 0.349 9.872 1.00 72.33 O ATOM 1389 CB ASN A 84 7.897 2.909 8.056 1.00 21.34 C ATOM 1390 CG ASN A 84 8.977 3.449 8.975 1.00 52.35 C ATOM 1391 OD1 ASN A 84 10.103 2.953 8.989 1.00 5.40 O ATOM 1392 ND2 ASN A 84 8.640 4.460 9.758 1.00 44.43 N ATOM 0 H ASN A 84 6.386 1.646 6.543 1.00 30.32 H new ATOM 0 HA ASN A 84 9.009 1.178 7.457 1.00 72.01 H new ATOM 0 HB2 ASN A 84 7.958 3.413 7.092 1.00 21.34 H new ATOM 0 HB3 ASN A 84 6.918 3.140 8.475 1.00 21.34 H new ATOM 0 HD21 ASN A 84 9.324 4.856 10.403 1.00 44.43 H new ATOM 0 HD22 ASN A 84 7.696 4.844 9.717 1.00 44.43 H new ATOM 1399 N TYR A 85 6.567 0.439 9.522 1.00 2.33 N ATOM 1400 CA TYR A 85 6.226 -0.285 10.739 1.00 63.00 C ATOM 1401 C TYR A 85 6.735 -1.722 10.658 1.00 64.32 C ATOM 1402 O TYR A 85 7.170 -2.295 11.657 1.00 64.00 O ATOM 1403 CB TYR A 85 4.709 -0.254 10.952 1.00 3.35 C ATOM 1404 CG TYR A 85 4.238 -0.923 12.226 1.00 33.42 C ATOM 1405 CD1 TYR A 85 4.593 -0.420 13.471 1.00 71.21 C ATOM 1406 CD2 TYR A 85 3.423 -2.049 12.181 1.00 24.42 C ATOM 1407 CE1 TYR A 85 4.155 -1.022 14.637 1.00 62.54 C ATOM 1408 CE2 TYR A 85 2.982 -2.656 13.342 1.00 20.32 C ATOM 1409 CZ TYR A 85 3.350 -2.138 14.566 1.00 35.31 C ATOM 1410 OH TYR A 85 2.915 -2.741 15.726 1.00 32.22 O ATOM 0 H TYR A 85 5.761 0.733 8.970 1.00 2.33 H new ATOM 0 HA TYR A 85 6.706 0.197 11.591 1.00 63.00 H new ATOM 0 HB2 TYR A 85 4.377 0.784 10.958 1.00 3.35 H new ATOM 0 HB3 TYR A 85 4.226 -0.738 10.103 1.00 3.35 H new ATOM 0 HD1 TYR A 85 5.222 0.456 13.530 1.00 71.21 H new ATOM 0 HD2 TYR A 85 3.130 -2.455 11.224 1.00 24.42 H new ATOM 0 HE1 TYR A 85 4.442 -0.620 15.597 1.00 62.54 H new ATOM 0 HE2 TYR A 85 2.352 -3.532 13.291 1.00 20.32 H new ATOM 0 HH TYR A 85 2.180 -3.355 15.520 1.00 32.22 H new ATOM 1420 N ALA A 86 6.700 -2.291 9.462 1.00 52.43 N ATOM 1421 CA ALA A 86 7.240 -3.624 9.235 1.00 73.04 C ATOM 1422 C ALA A 86 8.764 -3.606 9.333 1.00 3.34 C ATOM 1423 O ALA A 86 9.385 -4.575 9.773 1.00 51.45 O ATOM 1424 CB ALA A 86 6.795 -4.156 7.882 1.00 12.14 C ATOM 0 H ALA A 86 6.303 -1.850 8.632 1.00 52.43 H new ATOM 0 HA ALA A 86 6.855 -4.290 10.007 1.00 73.04 H new ATOM 0 HB1 ALA A 86 7.208 -5.153 7.729 1.00 12.14 H new ATOM 0 HB2 ALA A 86 5.707 -4.205 7.850 1.00 12.14 H new ATOM 0 HB3 ALA A 86 7.151 -3.491 7.095 1.00 12.14 H new ATOM 1430 N ILE A 87 9.353 -2.486 8.933 1.00 41.33 N ATOM 1431 CA ILE A 87 10.796 -2.302 8.998 1.00 1.32 C ATOM 1432 C ILE A 87 11.273 -2.248 10.447 1.00 5.24 C ATOM 1433 O ILE A 87 12.229 -2.927 10.820 1.00 13.21 O ATOM 1434 CB ILE A 87 11.240 -1.016 8.257 1.00 32.44 C ATOM 1435 CG1 ILE A 87 10.893 -1.112 6.768 1.00 62.40 C ATOM 1436 CG2 ILE A 87 12.731 -0.777 8.440 1.00 31.52 C ATOM 1437 CD1 ILE A 87 11.197 0.149 5.983 1.00 25.54 C ATOM 0 H ILE A 87 8.847 -1.684 8.557 1.00 41.33 H new ATOM 0 HA ILE A 87 11.251 -3.160 8.503 1.00 1.32 H new ATOM 0 HB ILE A 87 10.703 -0.170 8.686 1.00 32.44 H new ATOM 0 HG12 ILE A 87 11.445 -1.943 6.329 1.00 62.40 H new ATOM 0 HG13 ILE A 87 9.833 -1.345 6.666 1.00 62.40 H new ATOM 0 HG21 ILE A 87 13.021 0.131 7.912 1.00 31.52 H new ATOM 0 HG22 ILE A 87 12.954 -0.666 9.501 1.00 31.52 H new ATOM 0 HG23 ILE A 87 13.287 -1.624 8.039 1.00 31.52 H new ATOM 0 HD11 ILE A 87 10.924 0.002 4.938 1.00 25.54 H new ATOM 0 HD12 ILE A 87 10.624 0.980 6.394 1.00 25.54 H new ATOM 0 HD13 ILE A 87 12.262 0.373 6.052 1.00 25.54 H new ATOM 1449 N LYS A 88 10.587 -1.459 11.269 1.00 23.14 N ATOM 1450 CA LYS A 88 10.992 -1.279 12.660 1.00 15.54 C ATOM 1451 C LYS A 88 10.693 -2.519 13.501 1.00 42.25 C ATOM 1452 O LYS A 88 11.256 -2.694 14.581 1.00 3.31 O ATOM 1453 CB LYS A 88 10.338 -0.039 13.268 1.00 43.35 C ATOM 1454 CG LYS A 88 8.822 -0.033 13.202 1.00 23.21 C ATOM 1455 CD LYS A 88 8.265 1.310 13.635 1.00 71.13 C ATOM 1456 CE LYS A 88 8.813 2.434 12.768 1.00 51.12 C ATOM 1457 NZ LYS A 88 8.396 3.775 13.260 1.00 23.52 N ATOM 0 H LYS A 88 9.753 -0.937 10.999 1.00 23.14 H new ATOM 0 HA LYS A 88 12.072 -1.131 12.665 1.00 15.54 H new ATOM 0 HB2 LYS A 88 10.644 0.044 14.311 1.00 43.35 H new ATOM 0 HB3 LYS A 88 10.715 0.845 12.754 1.00 43.35 H new ATOM 0 HG2 LYS A 88 8.498 -0.255 12.185 1.00 23.21 H new ATOM 0 HG3 LYS A 88 8.423 -0.820 13.842 1.00 23.21 H new ATOM 0 HD2 LYS A 88 7.177 1.294 13.571 1.00 71.13 H new ATOM 0 HD3 LYS A 88 8.520 1.494 14.679 1.00 71.13 H new ATOM 0 HE2 LYS A 88 9.901 2.378 12.748 1.00 51.12 H new ATOM 0 HE3 LYS A 88 8.468 2.301 11.743 1.00 51.12 H new ATOM 0 HZ1 LYS A 88 8.791 4.511 12.640 1.00 23.52 H new ATOM 0 HZ2 LYS A 88 7.358 3.839 13.255 1.00 23.52 H new ATOM 0 HZ3 LYS A 88 8.747 3.914 14.229 1.00 23.52 H new ATOM 1471 N ARG A 89 9.808 -3.375 13.005 1.00 25.20 N ATOM 1472 CA ARG A 89 9.530 -4.652 13.663 1.00 65.11 C ATOM 1473 C ARG A 89 10.424 -5.756 13.103 1.00 74.11 C ATOM 1474 O ARG A 89 10.289 -6.924 13.469 1.00 52.35 O ATOM 1475 CB ARG A 89 8.061 -5.044 13.502 1.00 23.14 C ATOM 1476 CG ARG A 89 7.106 -4.164 14.287 1.00 3.15 C ATOM 1477 CD ARG A 89 5.681 -4.682 14.205 1.00 73.15 C ATOM 1478 NE ARG A 89 5.555 -6.035 14.747 1.00 52.11 N ATOM 1479 CZ ARG A 89 4.639 -6.396 15.643 1.00 41.15 C ATOM 1480 NH1 ARG A 89 3.773 -5.505 16.113 1.00 20.12 N ATOM 1481 NH2 ARG A 89 4.591 -7.648 16.068 1.00 65.33 N ATOM 0 H ARG A 89 9.271 -3.212 12.153 1.00 25.20 H new ATOM 0 HA ARG A 89 9.744 -4.529 14.725 1.00 65.11 H new ATOM 0 HB2 ARG A 89 7.796 -5.001 12.446 1.00 23.14 H new ATOM 0 HB3 ARG A 89 7.933 -6.079 13.820 1.00 23.14 H new ATOM 0 HG2 ARG A 89 7.420 -4.123 15.330 1.00 3.15 H new ATOM 0 HG3 ARG A 89 7.147 -3.145 13.901 1.00 3.15 H new ATOM 0 HD2 ARG A 89 5.019 -4.010 14.752 1.00 73.15 H new ATOM 0 HD3 ARG A 89 5.353 -4.676 13.166 1.00 73.15 H new ATOM 0 HE ARG A 89 6.209 -6.745 14.418 1.00 52.11 H new ATOM 0 HH11 ARG A 89 3.808 -4.539 15.787 1.00 20.12 H new ATOM 0 HH12 ARG A 89 3.073 -5.787 16.799 1.00 20.12 H new ATOM 0 HH21 ARG A 89 5.255 -8.334 15.709 1.00 65.33 H new ATOM 0 HH22 ARG A 89 3.890 -7.927 16.754 1.00 65.33 H new ATOM 1495 N HIS A 90 11.336 -5.363 12.218 1.00 24.14 N ATOM 1496 CA HIS A 90 12.285 -6.276 11.581 1.00 14.34 C ATOM 1497 C HIS A 90 11.574 -7.399 10.820 1.00 35.11 C ATOM 1498 O HIS A 90 11.708 -8.578 11.146 1.00 51.32 O ATOM 1499 CB HIS A 90 13.278 -6.861 12.598 1.00 34.23 C ATOM 1500 CG HIS A 90 14.359 -7.686 11.963 1.00 0.24 C ATOM 1501 ND1 HIS A 90 14.572 -9.012 12.263 1.00 72.14 N ATOM 1502 CD2 HIS A 90 15.279 -7.365 11.026 1.00 32.43 C ATOM 1503 CE1 HIS A 90 15.570 -9.472 11.534 1.00 41.32 C ATOM 1504 NE2 HIS A 90 16.020 -8.492 10.772 1.00 1.35 N ATOM 0 H HIS A 90 11.439 -4.393 11.919 1.00 24.14 H new ATOM 0 HA HIS A 90 12.848 -5.686 10.858 1.00 14.34 H new ATOM 0 HB2 HIS A 90 13.735 -6.046 13.160 1.00 34.23 H new ATOM 0 HB3 HIS A 90 12.734 -7.476 13.314 1.00 34.23 H new ATOM 0 HD2 HIS A 90 15.407 -6.398 10.562 1.00 32.43 H new ATOM 0 HE1 HIS A 90 15.955 -10.481 11.556 1.00 41.32 H new ATOM 0 HE2 HIS A 90 16.790 -8.561 10.106 1.00 1.35 H new ATOM 1513 N ILE A 91 10.782 -7.020 9.836 1.00 3.30 N ATOM 1514 CA ILE A 91 10.287 -7.971 8.854 1.00 63.25 C ATOM 1515 C ILE A 91 11.110 -7.801 7.586 1.00 33.21 C ATOM 1516 O ILE A 91 11.560 -8.766 6.968 1.00 71.23 O ATOM 1517 CB ILE A 91 8.788 -7.751 8.547 1.00 24.14 C ATOM 1518 CG1 ILE A 91 7.961 -7.860 9.832 1.00 41.13 C ATOM 1519 CG2 ILE A 91 8.303 -8.753 7.507 1.00 1.34 C ATOM 1520 CD1 ILE A 91 6.480 -7.605 9.635 1.00 34.14 C ATOM 0 H ILE A 91 10.466 -6.061 9.693 1.00 3.30 H new ATOM 0 HA ILE A 91 10.385 -8.981 9.251 1.00 63.25 H new ATOM 0 HB ILE A 91 8.660 -6.748 8.139 1.00 24.14 H new ATOM 0 HG12 ILE A 91 8.095 -8.856 10.255 1.00 41.13 H new ATOM 0 HG13 ILE A 91 8.348 -7.149 10.562 1.00 41.13 H new ATOM 0 HG21 ILE A 91 7.246 -8.583 7.303 1.00 1.34 H new ATOM 0 HG22 ILE A 91 8.874 -8.628 6.587 1.00 1.34 H new ATOM 0 HG23 ILE A 91 8.441 -9.766 7.885 1.00 1.34 H new ATOM 0 HD11 ILE A 91 5.964 -7.701 10.590 1.00 34.14 H new ATOM 0 HD12 ILE A 91 6.333 -6.599 9.242 1.00 34.14 H new ATOM 0 HD13 ILE A 91 6.076 -8.332 8.930 1.00 34.14 H new ATOM 1532 N ILE A 92 11.307 -6.542 7.233 1.00 54.21 N ATOM 1533 CA ILE A 92 12.194 -6.139 6.153 1.00 74.53 C ATOM 1534 C ILE A 92 12.900 -4.859 6.579 1.00 0.42 C ATOM 1535 O ILE A 92 12.428 -4.176 7.484 1.00 2.54 O ATOM 1536 CB ILE A 92 11.420 -5.886 4.834 1.00 34.21 C ATOM 1537 CG1 ILE A 92 10.221 -4.958 5.088 1.00 64.50 C ATOM 1538 CG2 ILE A 92 10.965 -7.199 4.211 1.00 45.23 C ATOM 1539 CD1 ILE A 92 9.392 -4.668 3.852 1.00 32.33 C ATOM 0 H ILE A 92 10.848 -5.758 7.696 1.00 54.21 H new ATOM 0 HA ILE A 92 12.907 -6.942 5.964 1.00 74.53 H new ATOM 0 HB ILE A 92 12.092 -5.397 4.129 1.00 34.21 H new ATOM 0 HG12 ILE A 92 9.580 -5.409 5.845 1.00 64.50 H new ATOM 0 HG13 ILE A 92 10.585 -4.016 5.498 1.00 64.50 H new ATOM 0 HG21 ILE A 92 10.424 -6.995 3.287 1.00 45.23 H new ATOM 0 HG22 ILE A 92 11.835 -7.819 3.993 1.00 45.23 H new ATOM 0 HG23 ILE A 92 10.310 -7.724 4.906 1.00 45.23 H new ATOM 0 HD11 ILE A 92 8.566 -4.007 4.115 1.00 32.33 H new ATOM 0 HD12 ILE A 92 10.017 -4.187 3.100 1.00 32.33 H new ATOM 0 HD13 ILE A 92 8.996 -5.602 3.452 1.00 32.33 H new ATOM 1551 N GLU A 93 14.035 -4.544 5.979 1.00 75.42 N ATOM 1552 CA GLU A 93 14.703 -3.279 6.278 1.00 3.50 C ATOM 1553 C GLU A 93 14.499 -2.278 5.148 1.00 13.10 C ATOM 1554 O GLU A 93 14.747 -1.083 5.311 1.00 31.14 O ATOM 1555 CB GLU A 93 16.202 -3.469 6.555 1.00 74.01 C ATOM 1556 CG GLU A 93 16.960 -4.196 5.459 1.00 63.43 C ATOM 1557 CD GLU A 93 16.789 -5.697 5.537 1.00 14.53 C ATOM 1558 OE1 GLU A 93 17.526 -6.338 6.315 1.00 4.31 O ATOM 1559 OE2 GLU A 93 15.915 -6.238 4.828 1.00 44.52 O ATOM 0 H GLU A 93 14.510 -5.131 5.294 1.00 75.42 H new ATOM 0 HA GLU A 93 14.247 -2.885 7.186 1.00 3.50 H new ATOM 0 HB2 GLU A 93 16.657 -2.490 6.706 1.00 74.01 H new ATOM 0 HB3 GLU A 93 16.319 -4.022 7.487 1.00 74.01 H new ATOM 0 HG2 GLU A 93 16.614 -3.844 4.487 1.00 63.43 H new ATOM 0 HG3 GLU A 93 18.019 -3.950 5.529 1.00 63.43 H new ATOM 1566 N TYR A 94 14.035 -2.768 4.010 1.00 44.13 N ATOM 1567 CA TYR A 94 13.780 -1.916 2.860 1.00 21.41 C ATOM 1568 C TYR A 94 12.332 -2.067 2.418 1.00 4.12 C ATOM 1569 O TYR A 94 11.812 -3.179 2.350 1.00 31.32 O ATOM 1570 CB TYR A 94 14.739 -2.260 1.707 1.00 24.35 C ATOM 1571 CG TYR A 94 14.579 -3.662 1.150 1.00 75.03 C ATOM 1572 CD1 TYR A 94 15.079 -4.764 1.831 1.00 42.14 C ATOM 1573 CD2 TYR A 94 13.928 -3.879 -0.058 1.00 51.41 C ATOM 1574 CE1 TYR A 94 14.936 -6.044 1.325 1.00 30.24 C ATOM 1575 CE2 TYR A 94 13.780 -5.154 -0.570 1.00 51.24 C ATOM 1576 CZ TYR A 94 14.287 -6.231 0.125 1.00 72.25 C ATOM 1577 OH TYR A 94 14.144 -7.503 -0.381 1.00 0.10 O ATOM 0 H TYR A 94 13.827 -3.755 3.858 1.00 44.13 H new ATOM 0 HA TYR A 94 13.955 -0.878 3.144 1.00 21.41 H new ATOM 0 HB2 TYR A 94 14.588 -1.543 0.900 1.00 24.35 H new ATOM 0 HB3 TYR A 94 15.764 -2.136 2.055 1.00 24.35 H new ATOM 0 HD1 TYR A 94 15.589 -4.620 2.772 1.00 42.14 H new ATOM 0 HD2 TYR A 94 13.531 -3.037 -0.606 1.00 51.41 H new ATOM 0 HE1 TYR A 94 15.331 -6.890 1.867 1.00 30.24 H new ATOM 0 HE2 TYR A 94 13.270 -5.306 -1.510 1.00 51.24 H new ATOM 0 HH TYR A 94 13.663 -7.464 -1.234 1.00 0.10 H new ATOM 1587 N ASN A 95 11.674 -0.953 2.146 1.00 63.22 N ATOM 1588 CA ASN A 95 10.287 -0.989 1.712 1.00 63.14 C ATOM 1589 C ASN A 95 10.194 -0.781 0.202 1.00 53.54 C ATOM 1590 O ASN A 95 10.961 -0.014 -0.377 1.00 35.02 O ATOM 1591 CB ASN A 95 9.443 0.058 2.456 1.00 24.25 C ATOM 1592 CG ASN A 95 9.890 1.493 2.227 1.00 43.12 C ATOM 1593 OD1 ASN A 95 11.069 1.776 2.026 1.00 31.40 O ATOM 1594 ND2 ASN A 95 8.942 2.417 2.271 1.00 14.33 N ATOM 0 H ASN A 95 12.074 -0.018 2.217 1.00 63.22 H new ATOM 0 HA ASN A 95 9.885 -1.973 1.953 1.00 63.14 H new ATOM 0 HB2 ASN A 95 8.403 -0.041 2.144 1.00 24.25 H new ATOM 0 HB3 ASN A 95 9.477 -0.156 3.524 1.00 24.25 H new ATOM 0 HD21 ASN A 95 9.181 3.399 2.136 1.00 14.33 H new ATOM 0 HD22 ASN A 95 7.973 2.146 2.440 1.00 14.33 H new ATOM 1601 N PRO A 96 9.244 -1.467 -0.452 1.00 11.33 N ATOM 1602 CA PRO A 96 9.085 -1.417 -1.913 1.00 45.10 C ATOM 1603 C PRO A 96 8.647 -0.042 -2.409 1.00 55.32 C ATOM 1604 O PRO A 96 8.813 0.289 -3.583 1.00 43.51 O ATOM 1605 CB PRO A 96 7.995 -2.462 -2.200 1.00 45.50 C ATOM 1606 CG PRO A 96 7.887 -3.278 -0.957 1.00 11.31 C ATOM 1607 CD PRO A 96 8.262 -2.366 0.170 1.00 64.53 C ATOM 0 HA PRO A 96 10.027 -1.616 -2.424 1.00 45.10 H new ATOM 0 HB2 PRO A 96 7.045 -1.983 -2.438 1.00 45.50 H new ATOM 0 HB3 PRO A 96 8.262 -3.083 -3.055 1.00 45.50 H new ATOM 0 HG2 PRO A 96 6.875 -3.661 -0.829 1.00 11.31 H new ATOM 0 HG3 PRO A 96 8.551 -4.141 -0.998 1.00 11.31 H new ATOM 0 HD2 PRO A 96 7.400 -1.820 0.553 1.00 64.53 H new ATOM 0 HD3 PRO A 96 8.690 -2.915 1.009 1.00 64.53 H new ATOM 1615 N ALA A 97 8.103 0.763 -1.504 1.00 31.05 N ATOM 1616 CA ALA A 97 7.611 2.090 -1.856 1.00 14.34 C ATOM 1617 C ALA A 97 8.762 3.073 -2.069 1.00 73.31 C ATOM 1618 O ALA A 97 8.571 4.164 -2.605 1.00 53.53 O ATOM 1619 CB ALA A 97 6.668 2.606 -0.779 1.00 21.45 C ATOM 0 H ALA A 97 7.991 0.520 -0.520 1.00 31.05 H new ATOM 0 HA ALA A 97 7.065 2.006 -2.796 1.00 14.34 H new ATOM 0 HB1 ALA A 97 6.308 3.597 -1.055 1.00 21.45 H new ATOM 0 HB2 ALA A 97 5.821 1.927 -0.681 1.00 21.45 H new ATOM 0 HB3 ALA A 97 7.198 2.664 0.172 1.00 21.45 H new ATOM 1625 N ALA A 98 9.959 2.679 -1.649 1.00 45.53 N ATOM 1626 CA ALA A 98 11.135 3.530 -1.783 1.00 50.35 C ATOM 1627 C ALA A 98 11.669 3.519 -3.212 1.00 41.42 C ATOM 1628 O ALA A 98 12.498 4.349 -3.582 1.00 73.11 O ATOM 1629 CB ALA A 98 12.217 3.088 -0.810 1.00 45.33 C ATOM 0 H ALA A 98 10.140 1.775 -1.213 1.00 45.53 H new ATOM 0 HA ALA A 98 10.840 4.552 -1.545 1.00 50.35 H new ATOM 0 HB1 ALA A 98 13.090 3.731 -0.920 1.00 45.33 H new ATOM 0 HB2 ALA A 98 11.840 3.159 0.210 1.00 45.33 H new ATOM 0 HB3 ALA A 98 12.498 2.056 -1.022 1.00 45.33 H new ATOM 1635 N ALA A 99 11.165 2.591 -4.020 1.00 52.13 N ATOM 1636 CA ALA A 99 11.646 2.417 -5.386 1.00 64.41 C ATOM 1637 C ALA A 99 10.928 3.350 -6.360 1.00 2.34 C ATOM 1638 O ALA A 99 10.915 3.110 -7.569 1.00 42.31 O ATOM 1639 CB ALA A 99 11.470 0.969 -5.815 1.00 25.15 C ATOM 0 H ALA A 99 10.422 1.946 -3.751 1.00 52.13 H new ATOM 0 HA ALA A 99 12.705 2.674 -5.406 1.00 64.41 H new ATOM 0 HB1 ALA A 99 11.831 0.846 -6.836 1.00 25.15 H new ATOM 0 HB2 ALA A 99 12.038 0.320 -5.148 1.00 25.15 H new ATOM 0 HB3 ALA A 99 10.414 0.702 -5.769 1.00 25.15 H new ATOM 1645 N PHE A 100 10.327 4.409 -5.833 1.00 24.01 N ATOM 1646 CA PHE A 100 9.659 5.396 -6.670 1.00 31.34 C ATOM 1647 C PHE A 100 10.177 6.790 -6.346 1.00 62.41 C ATOM 1648 O PHE A 100 11.134 7.264 -6.957 1.00 42.31 O ATOM 1649 CB PHE A 100 8.140 5.353 -6.453 1.00 0.42 C ATOM 1650 CG PHE A 100 7.534 3.993 -6.637 1.00 53.12 C ATOM 1651 CD1 PHE A 100 7.426 3.118 -5.568 1.00 11.21 C ATOM 1652 CD2 PHE A 100 7.070 3.590 -7.876 1.00 62.11 C ATOM 1653 CE1 PHE A 100 6.869 1.867 -5.733 1.00 11.50 C ATOM 1654 CE2 PHE A 100 6.513 2.340 -8.046 1.00 20.24 C ATOM 1655 CZ PHE A 100 6.413 1.478 -6.973 1.00 50.45 C ATOM 0 H PHE A 100 10.289 4.606 -4.833 1.00 24.01 H new ATOM 0 HA PHE A 100 9.873 5.160 -7.712 1.00 31.34 H new ATOM 0 HB2 PHE A 100 7.917 5.705 -5.446 1.00 0.42 H new ATOM 0 HB3 PHE A 100 7.665 6.048 -7.146 1.00 0.42 H new ATOM 0 HD1 PHE A 100 7.782 3.419 -4.594 1.00 11.21 H new ATOM 0 HD2 PHE A 100 7.145 4.261 -8.719 1.00 62.11 H new ATOM 0 HE1 PHE A 100 6.791 1.194 -4.892 1.00 11.50 H new ATOM 0 HE2 PHE A 100 6.155 2.036 -9.019 1.00 20.24 H new ATOM 0 HZ PHE A 100 5.977 0.499 -7.106 1.00 50.45 H new