USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=18 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 16 TYR OH : rot 180:sc= -1.94! USER MOD Set 1.2: A 20 MET CE :methyl 166:sc= -0.0386 (180deg=-0.308) USER MOD Single : A 7 TYR OH : rot 166:sc= -0.224 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.061) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= -1.83! X(o=-1.8!,f=-2.3) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= -0.878 (180deg=-0.888) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -155:sc= 1.23 (180deg=1.1) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -3.88! K(o=-3.9!,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.11) USER MOD Single : A 64 MET CE :methyl -140:sc= -0.113 (180deg=-0.638) 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= -0.617 X(o=-0.62,f=-0.62) USER MOD Single : A 75 THR OG1 : rot 66:sc= 1.46 USER MOD Single : A 80 LYS NZ :NH3+ -142:sc= 0.266 (180deg=0.00327) USER MOD Single : A 82 MET CE :methyl 166:sc= -0.128 (180deg=-0.511) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 85 TYR OH : rot -16:sc= 0.0052 USER MOD Single : A 88 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0359) USER MOD Single : A 90 HIS : no HD1:sc= -0.0275 X(o=-0.027,f=-0.041) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.388 K(o=-0.39,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 91 N TYR A 7 2.127 -13.448 8.719 1.00 32.13 N ATOM 92 CA TYR A 7 1.954 -12.006 8.654 1.00 51.54 C ATOM 93 C TYR A 7 1.954 -11.550 7.198 1.00 70.44 C ATOM 94 O TYR A 7 3.009 -11.413 6.574 1.00 34.03 O ATOM 95 CB TYR A 7 3.069 -11.293 9.421 1.00 4.52 C ATOM 96 CG TYR A 7 2.601 -10.059 10.160 1.00 60.15 C ATOM 97 CD1 TYR A 7 2.086 -8.964 9.479 1.00 33.34 C ATOM 98 CD2 TYR A 7 2.678 -9.995 11.543 1.00 40.34 C ATOM 99 CE1 TYR A 7 1.660 -7.839 10.159 1.00 4.21 C ATOM 100 CE2 TYR A 7 2.254 -8.875 12.230 1.00 13.42 C ATOM 101 CZ TYR A 7 1.747 -7.799 11.534 1.00 53.33 C ATOM 102 OH TYR A 7 1.331 -6.678 12.216 1.00 51.15 O ATOM 0 HA TYR A 7 0.999 -11.751 9.114 1.00 51.54 H new ATOM 0 HB2 TYR A 7 3.510 -11.989 10.135 1.00 4.52 H new ATOM 0 HB3 TYR A 7 3.857 -11.011 8.722 1.00 4.52 H new ATOM 0 HD1 TYR A 7 2.017 -8.992 8.402 1.00 33.34 H new ATOM 0 HD2 TYR A 7 3.076 -10.835 12.092 1.00 40.34 H new ATOM 0 HE1 TYR A 7 1.261 -6.995 9.616 1.00 4.21 H new ATOM 0 HE2 TYR A 7 2.319 -8.842 13.308 1.00 13.42 H new ATOM 0 HH TYR A 7 1.239 -6.890 13.168 1.00 51.15 H new ATOM 112 N THR A 8 0.768 -11.352 6.647 1.00 11.23 N ATOM 113 CA THR A 8 0.634 -10.907 5.271 1.00 24.30 C ATOM 114 C THR A 8 0.436 -9.397 5.212 1.00 12.21 C ATOM 115 O THR A 8 0.336 -8.738 6.252 1.00 31.00 O ATOM 116 CB THR A 8 -0.552 -11.604 4.580 1.00 52.24 C ATOM 117 OG1 THR A 8 -1.748 -11.409 5.350 1.00 42.25 O ATOM 118 CG2 THR A 8 -0.280 -13.092 4.412 1.00 73.21 C ATOM 0 H THR A 8 -0.117 -11.493 7.133 1.00 11.23 H new ATOM 0 HA THR A 8 1.553 -11.170 4.748 1.00 24.30 H new ATOM 0 HB THR A 8 -0.683 -11.164 3.591 1.00 52.24 H new ATOM 0 HG1 THR A 8 -2.500 -11.853 4.905 1.00 42.25 H new ATOM 0 HG21 THR A 8 -1.131 -13.564 3.922 1.00 73.21 H new ATOM 0 HG22 THR A 8 0.613 -13.232 3.803 1.00 73.21 H new ATOM 0 HG23 THR A 8 -0.127 -13.547 5.391 1.00 73.21 H new ATOM 126 N VAL A 9 0.376 -8.850 4.002 1.00 51.52 N ATOM 127 CA VAL A 9 0.165 -7.417 3.824 1.00 21.10 C ATOM 128 C VAL A 9 -1.197 -7.004 4.389 1.00 24.12 C ATOM 129 O VAL A 9 -1.347 -5.909 4.929 1.00 45.10 O ATOM 130 CB VAL A 9 0.280 -7.002 2.337 1.00 53.32 C ATOM 131 CG1 VAL A 9 -0.772 -7.698 1.485 1.00 21.22 C ATOM 132 CG2 VAL A 9 0.186 -5.488 2.189 1.00 23.10 C ATOM 0 H VAL A 9 0.470 -9.375 3.133 1.00 51.52 H new ATOM 0 HA VAL A 9 0.950 -6.897 4.374 1.00 21.10 H new ATOM 0 HB VAL A 9 1.259 -7.319 1.978 1.00 53.32 H new ATOM 0 HG11 VAL A 9 -0.664 -7.385 0.446 1.00 21.22 H new ATOM 0 HG12 VAL A 9 -0.640 -8.778 1.554 1.00 21.22 H new ATOM 0 HG13 VAL A 9 -1.766 -7.430 1.843 1.00 21.22 H new ATOM 0 HG21 VAL A 9 0.269 -5.220 1.136 1.00 23.10 H new ATOM 0 HG22 VAL A 9 -0.773 -5.143 2.577 1.00 23.10 H new ATOM 0 HG23 VAL A 9 0.994 -5.017 2.749 1.00 23.10 H new ATOM 142 N ALA A 10 -2.174 -7.904 4.292 1.00 40.13 N ATOM 143 CA ALA A 10 -3.501 -7.662 4.846 1.00 13.34 C ATOM 144 C ALA A 10 -3.428 -7.468 6.356 1.00 22.01 C ATOM 145 O ALA A 10 -4.019 -6.541 6.905 1.00 32.03 O ATOM 146 CB ALA A 10 -4.431 -8.817 4.506 1.00 60.14 C ATOM 0 H ALA A 10 -2.069 -8.809 3.833 1.00 40.13 H new ATOM 0 HA ALA A 10 -3.898 -6.749 4.403 1.00 13.34 H new ATOM 0 HB1 ALA A 10 -5.419 -8.624 4.925 1.00 60.14 H new ATOM 0 HB2 ALA A 10 -4.509 -8.915 3.423 1.00 60.14 H new ATOM 0 HB3 ALA A 10 -4.033 -9.741 4.926 1.00 60.14 H new ATOM 152 N GLN A 11 -2.682 -8.343 7.020 1.00 45.12 N ATOM 153 CA GLN A 11 -2.524 -8.272 8.467 1.00 45.10 C ATOM 154 C GLN A 11 -1.757 -7.015 8.863 1.00 3.44 C ATOM 155 O GLN A 11 -2.084 -6.363 9.857 1.00 61.13 O ATOM 156 CB GLN A 11 -1.803 -9.522 8.983 1.00 34.02 C ATOM 157 CG GLN A 11 -2.607 -10.804 8.806 1.00 34.02 C ATOM 158 CD GLN A 11 -3.865 -10.828 9.656 1.00 63.32 C ATOM 159 OE1 GLN A 11 -3.847 -11.285 10.799 1.00 3.45 O ATOM 160 NE2 GLN A 11 -4.969 -10.354 9.099 1.00 52.40 N ATOM 0 H GLN A 11 -2.176 -9.111 6.578 1.00 45.12 H new ATOM 0 HA GLN A 11 -3.514 -8.226 8.921 1.00 45.10 H new ATOM 0 HB2 GLN A 11 -0.852 -9.624 8.461 1.00 34.02 H new ATOM 0 HB3 GLN A 11 -1.574 -9.389 10.040 1.00 34.02 H new ATOM 0 HG2 GLN A 11 -2.880 -10.915 7.757 1.00 34.02 H new ATOM 0 HG3 GLN A 11 -1.982 -11.659 9.065 1.00 34.02 H new ATOM 0 HE21 GLN A 11 -4.942 -9.984 8.149 1.00 52.40 H new ATOM 0 HE22 GLN A 11 -5.846 -10.359 9.620 1.00 52.40 H new ATOM 169 N LEU A 12 -0.752 -6.670 8.064 1.00 10.44 N ATOM 170 CA LEU A 12 0.057 -5.486 8.323 1.00 62.24 C ATOM 171 C LEU A 12 -0.782 -4.218 8.217 1.00 51.43 C ATOM 172 O LEU A 12 -0.807 -3.405 9.140 1.00 63.21 O ATOM 173 CB LEU A 12 1.233 -5.401 7.347 1.00 22.13 C ATOM 174 CG LEU A 12 2.135 -4.177 7.532 1.00 32.41 C ATOM 175 CD1 LEU A 12 2.887 -4.260 8.851 1.00 11.50 C ATOM 176 CD2 LEU A 12 3.104 -4.044 6.370 1.00 74.15 C ATOM 0 H LEU A 12 -0.479 -7.194 7.232 1.00 10.44 H new ATOM 0 HA LEU A 12 0.444 -5.572 9.338 1.00 62.24 H new ATOM 0 HB2 LEU A 12 1.839 -6.301 7.452 1.00 22.13 H new ATOM 0 HB3 LEU A 12 0.843 -5.396 6.329 1.00 22.13 H new ATOM 0 HG LEU A 12 1.504 -3.288 7.553 1.00 32.41 H new ATOM 0 HD11 LEU A 12 3.522 -3.381 8.964 1.00 11.50 H new ATOM 0 HD12 LEU A 12 2.174 -4.300 9.674 1.00 11.50 H new ATOM 0 HD13 LEU A 12 3.505 -5.158 8.862 1.00 11.50 H new ATOM 0 HD21 LEU A 12 3.735 -3.168 6.521 1.00 74.15 H new ATOM 0 HD22 LEU A 12 3.728 -4.936 6.313 1.00 74.15 H new ATOM 0 HD23 LEU A 12 2.545 -3.932 5.441 1.00 74.15 H new ATOM 188 N ALA A 13 -1.473 -4.063 7.096 1.00 10.51 N ATOM 189 CA ALA A 13 -2.273 -2.872 6.847 1.00 32.13 C ATOM 190 C ALA A 13 -3.380 -2.732 7.886 1.00 3.32 C ATOM 191 O ALA A 13 -3.681 -1.629 8.343 1.00 75.21 O ATOM 192 CB ALA A 13 -2.856 -2.911 5.443 1.00 54.33 C ATOM 0 H ALA A 13 -1.495 -4.750 6.342 1.00 10.51 H new ATOM 0 HA ALA A 13 -1.624 -2.000 6.929 1.00 32.13 H new ATOM 0 HB1 ALA A 13 -3.452 -2.014 5.271 1.00 54.33 H new ATOM 0 HB2 ALA A 13 -2.047 -2.954 4.714 1.00 54.33 H new ATOM 0 HB3 ALA A 13 -3.488 -3.792 5.336 1.00 54.33 H new ATOM 198 N ASP A 14 -3.959 -3.860 8.275 1.00 54.41 N ATOM 199 CA ASP A 14 -5.040 -3.871 9.253 1.00 62.10 C ATOM 200 C ASP A 14 -4.554 -3.378 10.614 1.00 0.41 C ATOM 201 O ASP A 14 -5.226 -2.584 11.274 1.00 41.51 O ATOM 202 CB ASP A 14 -5.625 -5.277 9.378 1.00 1.30 C ATOM 203 CG ASP A 14 -6.799 -5.333 10.332 1.00 55.42 C ATOM 204 OD1 ASP A 14 -6.580 -5.552 11.541 1.00 3.13 O ATOM 205 OD2 ASP A 14 -7.948 -5.160 9.876 1.00 31.33 O ATOM 0 H ASP A 14 -3.697 -4.783 7.927 1.00 54.41 H new ATOM 0 HA ASP A 14 -5.819 -3.192 8.905 1.00 62.10 H new ATOM 0 HB2 ASP A 14 -5.943 -5.624 8.395 1.00 1.30 H new ATOM 0 HB3 ASP A 14 -4.849 -5.961 9.721 1.00 1.30 H new ATOM 210 N GLU A 15 -3.380 -3.836 11.023 1.00 20.22 N ATOM 211 CA GLU A 15 -2.821 -3.446 12.309 1.00 31.33 C ATOM 212 C GLU A 15 -2.234 -2.038 12.231 1.00 53.44 C ATOM 213 O GLU A 15 -2.154 -1.326 13.229 1.00 65.22 O ATOM 214 CB GLU A 15 -1.772 -4.456 12.776 1.00 32.13 C ATOM 215 CG GLU A 15 -1.469 -4.355 14.260 1.00 24.43 C ATOM 216 CD GLU A 15 -0.662 -5.528 14.773 1.00 23.32 C ATOM 217 OE1 GLU A 15 -1.192 -6.666 14.780 1.00 52.10 O ATOM 218 OE2 GLU A 15 0.489 -5.321 15.199 1.00 65.01 O ATOM 0 H GLU A 15 -2.797 -4.477 10.484 1.00 20.22 H new ATOM 0 HA GLU A 15 -3.624 -3.438 13.046 1.00 31.33 H new ATOM 0 HB2 GLU A 15 -2.120 -5.464 12.550 1.00 32.13 H new ATOM 0 HB3 GLU A 15 -0.852 -4.303 12.212 1.00 32.13 H new ATOM 0 HG2 GLU A 15 -0.923 -3.432 14.453 1.00 24.43 H new ATOM 0 HG3 GLU A 15 -2.405 -4.293 14.814 1.00 24.43 H new ATOM 225 N TYR A 16 -1.798 -1.645 11.045 1.00 75.43 N ATOM 226 CA TYR A 16 -1.290 -0.297 10.835 1.00 54.13 C ATOM 227 C TYR A 16 -2.423 0.733 10.876 1.00 43.43 C ATOM 228 O TYR A 16 -2.310 1.765 11.545 1.00 32.35 O ATOM 229 CB TYR A 16 -0.540 -0.209 9.502 1.00 2.32 C ATOM 230 CG TYR A 16 -0.043 1.183 9.177 1.00 71.21 C ATOM 231 CD1 TYR A 16 0.990 1.765 9.902 1.00 21.34 C ATOM 232 CD2 TYR A 16 -0.615 1.917 8.149 1.00 4.14 C ATOM 233 CE1 TYR A 16 1.436 3.040 9.612 1.00 35.22 C ATOM 234 CE2 TYR A 16 -0.172 3.190 7.851 1.00 73.03 C ATOM 235 CZ TYR A 16 0.851 3.747 8.585 1.00 74.01 C ATOM 236 OH TYR A 16 1.287 5.017 8.293 1.00 74.12 O ATOM 0 H TYR A 16 -1.785 -2.237 10.215 1.00 75.43 H new ATOM 0 HA TYR A 16 -0.596 -0.070 11.644 1.00 54.13 H new ATOM 0 HB2 TYR A 16 0.309 -0.892 9.527 1.00 2.32 H new ATOM 0 HB3 TYR A 16 -1.198 -0.547 8.701 1.00 2.32 H new ATOM 0 HD1 TYR A 16 1.452 1.211 10.706 1.00 21.34 H new ATOM 0 HD2 TYR A 16 -1.420 1.486 7.572 1.00 4.14 H new ATOM 0 HE1 TYR A 16 2.238 3.479 10.187 1.00 35.22 H new ATOM 0 HE2 TYR A 16 -0.626 3.747 7.045 1.00 73.03 H new ATOM 0 HH TYR A 16 0.771 5.375 7.541 1.00 74.12 H new ATOM 246 N PHE A 17 -3.523 0.455 10.176 1.00 11.35 N ATOM 247 CA PHE A 17 -4.593 1.438 10.053 1.00 62.24 C ATOM 248 C PHE A 17 -5.346 1.616 11.371 1.00 70.42 C ATOM 249 O PHE A 17 -5.818 2.707 11.662 1.00 41.41 O ATOM 250 CB PHE A 17 -5.555 1.100 8.893 1.00 62.44 C ATOM 251 CG PHE A 17 -6.787 0.319 9.267 1.00 75.44 C ATOM 252 CD1 PHE A 17 -7.937 0.971 9.685 1.00 4.32 C ATOM 253 CD2 PHE A 17 -6.801 -1.060 9.183 1.00 2.14 C ATOM 254 CE1 PHE A 17 -9.074 0.260 10.015 1.00 23.24 C ATOM 255 CE2 PHE A 17 -7.935 -1.778 9.513 1.00 63.25 C ATOM 256 CZ PHE A 17 -9.072 -1.118 9.931 1.00 61.33 C ATOM 0 H PHE A 17 -3.693 -0.428 9.694 1.00 11.35 H new ATOM 0 HA PHE A 17 -4.124 2.392 9.813 1.00 62.24 H new ATOM 0 HB2 PHE A 17 -5.868 2.032 8.423 1.00 62.44 H new ATOM 0 HB3 PHE A 17 -5.003 0.534 8.142 1.00 62.44 H new ATOM 0 HD1 PHE A 17 -7.944 2.049 9.753 1.00 4.32 H new ATOM 0 HD2 PHE A 17 -5.915 -1.583 8.855 1.00 2.14 H new ATOM 0 HE1 PHE A 17 -9.963 0.781 10.338 1.00 23.24 H new ATOM 0 HE2 PHE A 17 -7.931 -2.856 9.444 1.00 63.25 H new ATOM 0 HZ PHE A 17 -9.958 -1.678 10.192 1.00 61.33 H new ATOM 266 N GLU A 18 -5.427 0.568 12.186 1.00 21.23 N ATOM 267 CA GLU A 18 -6.122 0.662 13.475 1.00 30.41 C ATOM 268 C GLU A 18 -5.464 1.710 14.375 1.00 1.31 C ATOM 269 O GLU A 18 -6.086 2.240 15.291 1.00 43.45 O ATOM 270 CB GLU A 18 -6.145 -0.691 14.192 1.00 4.12 C ATOM 271 CG GLU A 18 -4.761 -1.239 14.491 1.00 53.15 C ATOM 272 CD GLU A 18 -4.767 -2.364 15.501 1.00 71.32 C ATOM 273 OE1 GLU A 18 -5.356 -3.427 15.219 1.00 64.32 O ATOM 274 OE2 GLU A 18 -4.190 -2.181 16.594 1.00 44.24 O ATOM 0 H GLU A 18 -5.026 -0.348 11.984 1.00 21.23 H new ATOM 0 HA GLU A 18 -7.149 0.965 13.269 1.00 30.41 H new ATOM 0 HB2 GLU A 18 -6.697 -0.589 15.126 1.00 4.12 H new ATOM 0 HB3 GLU A 18 -6.687 -1.410 13.578 1.00 4.12 H new ATOM 0 HG2 GLU A 18 -4.311 -1.595 13.564 1.00 53.15 H new ATOM 0 HG3 GLU A 18 -4.130 -0.431 14.862 1.00 53.15 H new ATOM 281 N ARG A 19 -4.197 2.000 14.104 1.00 44.24 N ATOM 282 CA ARG A 19 -3.443 2.968 14.888 1.00 32.34 C ATOM 283 C ARG A 19 -3.501 4.348 14.244 1.00 52.10 C ATOM 284 O ARG A 19 -3.688 5.362 14.917 1.00 24.33 O ATOM 285 CB ARG A 19 -1.984 2.523 14.995 1.00 22.01 C ATOM 286 CG ARG A 19 -1.809 1.108 15.518 1.00 74.42 C ATOM 287 CD ARG A 19 -2.375 0.961 16.917 1.00 34.13 C ATOM 288 NE ARG A 19 -2.179 -0.390 17.440 1.00 74.42 N ATOM 289 CZ ARG A 19 -1.183 -0.742 18.258 1.00 23.25 C ATOM 290 NH1 ARG A 19 -0.315 0.166 18.693 1.00 74.11 N ATOM 291 NH2 ARG A 19 -1.056 -2.000 18.654 1.00 55.13 N ATOM 0 H ARG A 19 -3.668 1.575 13.342 1.00 44.24 H new ATOM 0 HA ARG A 19 -3.887 3.024 15.882 1.00 32.34 H new ATOM 0 HB2 ARG A 19 -1.519 2.597 14.012 1.00 22.01 H new ATOM 0 HB3 ARG A 19 -1.452 3.211 15.652 1.00 22.01 H new ATOM 0 HG2 ARG A 19 -2.306 0.407 14.847 1.00 74.42 H new ATOM 0 HG3 ARG A 19 -0.750 0.849 15.523 1.00 74.42 H new ATOM 0 HD2 ARG A 19 -1.897 1.681 17.581 1.00 34.13 H new ATOM 0 HD3 ARG A 19 -3.439 1.196 16.906 1.00 34.13 H new ATOM 0 HE ARG A 19 -2.846 -1.110 17.163 1.00 74.42 H new ATOM 0 HH11 ARG A 19 -0.407 1.139 18.402 1.00 74.11 H new ATOM 0 HH12 ARG A 19 0.443 -0.111 19.317 1.00 74.11 H new ATOM 0 HH21 ARG A 19 -1.720 -2.705 18.334 1.00 55.13 H new ATOM 0 HH22 ARG A 19 -0.294 -2.264 19.279 1.00 55.13 H new ATOM 305 N MET A 20 -3.346 4.368 12.930 1.00 50.41 N ATOM 306 CA MET A 20 -3.230 5.619 12.181 1.00 4.21 C ATOM 307 C MET A 20 -4.608 6.226 11.886 1.00 44.11 C ATOM 308 O MET A 20 -4.752 7.443 11.769 1.00 71.05 O ATOM 309 CB MET A 20 -2.462 5.355 10.879 1.00 21.25 C ATOM 310 CG MET A 20 -2.004 6.607 10.150 1.00 33.12 C ATOM 311 SD MET A 20 -0.977 7.676 11.179 1.00 23.31 S ATOM 312 CE MET A 20 0.440 6.615 11.475 1.00 30.41 C ATOM 0 H MET A 20 -3.297 3.529 12.353 1.00 50.41 H new ATOM 0 HA MET A 20 -2.684 6.342 12.786 1.00 4.21 H new ATOM 0 HB2 MET A 20 -1.589 4.742 11.105 1.00 21.25 H new ATOM 0 HB3 MET A 20 -3.096 4.772 10.210 1.00 21.25 H new ATOM 0 HG2 MET A 20 -1.444 6.320 9.260 1.00 33.12 H new ATOM 0 HG3 MET A 20 -2.877 7.165 9.811 1.00 33.12 H new ATOM 0 HE1 MET A 20 1.261 7.208 11.878 1.00 30.41 H new ATOM 0 HE2 MET A 20 0.169 5.837 12.189 1.00 30.41 H new ATOM 0 HE3 MET A 20 0.752 6.154 10.538 1.00 30.41 H new ATOM 322 N ILE A 21 -5.617 5.370 11.801 1.00 31.10 N ATOM 323 CA ILE A 21 -6.992 5.797 11.534 1.00 45.55 C ATOM 324 C ILE A 21 -7.728 6.067 12.855 1.00 2.21 C ATOM 325 O ILE A 21 -8.872 6.507 12.876 1.00 65.21 O ATOM 326 CB ILE A 21 -7.727 4.710 10.694 1.00 50.44 C ATOM 327 CG1 ILE A 21 -7.019 4.520 9.347 1.00 53.42 C ATOM 328 CG2 ILE A 21 -9.196 5.041 10.467 1.00 61.43 C ATOM 329 CD1 ILE A 21 -6.951 5.777 8.504 1.00 45.52 C ATOM 0 H ILE A 21 -5.511 4.362 11.914 1.00 31.10 H new ATOM 0 HA ILE A 21 -6.978 6.724 10.961 1.00 45.55 H new ATOM 0 HB ILE A 21 -7.690 3.783 11.266 1.00 50.44 H new ATOM 0 HG12 ILE A 21 -6.006 4.161 9.528 1.00 53.42 H new ATOM 0 HG13 ILE A 21 -7.536 3.744 8.783 1.00 53.42 H new ATOM 0 HG21 ILE A 21 -9.660 4.251 9.876 1.00 61.43 H new ATOM 0 HG22 ILE A 21 -9.704 5.121 11.428 1.00 61.43 H new ATOM 0 HG23 ILE A 21 -9.277 5.988 9.934 1.00 61.43 H new ATOM 0 HD11 ILE A 21 -6.436 5.560 7.568 1.00 45.52 H new ATOM 0 HD12 ILE A 21 -7.961 6.126 8.290 1.00 45.52 H new ATOM 0 HD13 ILE A 21 -6.407 6.550 9.047 1.00 45.52 H new ATOM 341 N ALA A 22 -7.038 5.842 13.965 1.00 61.03 N ATOM 342 CA ALA A 22 -7.632 6.018 15.286 1.00 40.24 C ATOM 343 C ALA A 22 -7.777 7.497 15.649 1.00 20.21 C ATOM 344 O ALA A 22 -8.493 7.843 16.591 1.00 75.23 O ATOM 345 CB ALA A 22 -6.795 5.299 16.333 1.00 14.20 C ATOM 0 H ALA A 22 -6.065 5.537 13.978 1.00 61.03 H new ATOM 0 HA ALA A 22 -8.632 5.585 15.263 1.00 40.24 H new ATOM 0 HB1 ALA A 22 -7.246 5.436 17.316 1.00 14.20 H new ATOM 0 HB2 ALA A 22 -6.753 4.236 16.098 1.00 14.20 H new ATOM 0 HB3 ALA A 22 -5.785 5.710 16.337 1.00 14.20 H new ATOM 351 N GLY A 23 -7.097 8.361 14.906 1.00 63.12 N ATOM 352 CA GLY A 23 -7.149 9.783 15.183 1.00 40.12 C ATOM 353 C GLY A 23 -8.275 10.477 14.444 1.00 52.32 C ATOM 354 O GLY A 23 -9.444 10.323 14.792 1.00 61.14 O ATOM 0 H GLY A 23 -6.509 8.101 14.114 1.00 63.12 H new ATOM 0 HA2 GLY A 23 -7.273 9.937 16.255 1.00 40.12 H new ATOM 0 HA3 GLY A 23 -6.199 10.239 14.903 1.00 40.12 H new ATOM 358 N ARG A 24 -7.924 11.248 13.424 1.00 52.12 N ATOM 359 CA ARG A 24 -8.903 11.964 12.619 1.00 33.21 C ATOM 360 C ARG A 24 -8.808 11.516 11.177 1.00 33.40 C ATOM 361 O ARG A 24 -7.947 11.966 10.421 1.00 72.01 O ATOM 362 CB ARG A 24 -8.710 13.480 12.706 1.00 74.42 C ATOM 363 CG ARG A 24 -9.463 14.141 13.850 1.00 54.23 C ATOM 364 CD ARG A 24 -9.040 13.589 15.196 1.00 34.45 C ATOM 365 NE ARG A 24 -9.612 14.346 16.304 1.00 54.10 N ATOM 366 CZ ARG A 24 -8.921 14.721 17.377 1.00 34.24 C ATOM 367 NH1 ARG A 24 -7.644 14.373 17.495 1.00 23.10 N ATOM 368 NH2 ARG A 24 -9.508 15.422 18.337 1.00 13.55 N ATOM 0 H ARG A 24 -6.958 11.394 13.133 1.00 52.12 H new ATOM 0 HA ARG A 24 -9.892 11.732 13.013 1.00 33.21 H new ATOM 0 HB2 ARG A 24 -7.647 13.694 12.815 1.00 74.42 H new ATOM 0 HB3 ARG A 24 -9.031 13.930 11.767 1.00 74.42 H new ATOM 0 HG2 ARG A 24 -9.288 15.217 13.827 1.00 54.23 H new ATOM 0 HG3 ARG A 24 -10.534 13.990 13.716 1.00 54.23 H new ATOM 0 HD2 ARG A 24 -9.348 12.546 15.273 1.00 34.45 H new ATOM 0 HD3 ARG A 24 -7.953 13.606 15.269 1.00 34.45 H new ATOM 0 HE ARG A 24 -10.598 14.602 16.253 1.00 54.10 H new ATOM 0 HH11 ARG A 24 -7.196 13.820 16.764 1.00 23.10 H new ATOM 0 HH12 ARG A 24 -7.111 14.659 18.317 1.00 23.10 H new ATOM 0 HH21 ARG A 24 -10.493 15.675 18.254 1.00 13.55 H new ATOM 0 HH22 ARG A 24 -8.975 15.708 19.158 1.00 13.55 H new ATOM 382 N TRP A 25 -9.677 10.597 10.824 1.00 32.23 N ATOM 383 CA TRP A 25 -9.700 10.029 9.485 1.00 72.41 C ATOM 384 C TRP A 25 -10.880 10.581 8.678 1.00 62.12 C ATOM 385 O TRP A 25 -10.726 10.961 7.518 1.00 64.24 O ATOM 386 CB TRP A 25 -9.748 8.493 9.585 1.00 52.23 C ATOM 387 CG TRP A 25 -11.033 7.934 10.132 1.00 45.31 C ATOM 388 CD1 TRP A 25 -11.984 7.272 9.422 1.00 61.43 C ATOM 389 CD2 TRP A 25 -11.524 8.006 11.483 1.00 11.45 C ATOM 390 NE1 TRP A 25 -13.029 6.919 10.236 1.00 73.42 N ATOM 391 CE2 TRP A 25 -12.770 7.358 11.506 1.00 43.03 C ATOM 392 CE3 TRP A 25 -11.030 8.549 12.674 1.00 11.32 C ATOM 393 CZ2 TRP A 25 -13.529 7.236 12.667 1.00 72.34 C ATOM 394 CZ3 TRP A 25 -11.787 8.428 13.826 1.00 64.11 C ATOM 395 CH2 TRP A 25 -13.022 7.777 13.814 1.00 13.12 C ATOM 0 H TRP A 25 -10.388 10.219 11.451 1.00 32.23 H new ATOM 0 HA TRP A 25 -8.792 10.314 8.954 1.00 72.41 H new ATOM 0 HB2 TRP A 25 -9.579 8.073 8.593 1.00 52.23 H new ATOM 0 HB3 TRP A 25 -8.925 8.159 10.217 1.00 52.23 H new ATOM 0 HD1 TRP A 25 -11.925 7.055 8.366 1.00 61.43 H new ATOM 0 HE1 TRP A 25 -13.864 6.412 9.943 1.00 73.42 H new ATOM 0 HE3 TRP A 25 -10.075 9.053 12.694 1.00 11.32 H new ATOM 0 HZ2 TRP A 25 -14.484 6.732 12.661 1.00 72.34 H new ATOM 0 HZ3 TRP A 25 -11.416 8.845 14.751 1.00 64.11 H new ATOM 0 HH2 TRP A 25 -13.588 7.700 14.731 1.00 13.12 H new ATOM 406 N LYS A 26 -12.056 10.610 9.314 1.00 50.21 N ATOM 407 CA LYS A 26 -13.285 11.175 8.736 1.00 25.41 C ATOM 408 C LYS A 26 -13.721 10.501 7.434 1.00 5.44 C ATOM 409 O LYS A 26 -14.635 10.975 6.757 1.00 31.24 O ATOM 410 CB LYS A 26 -13.148 12.686 8.520 1.00 64.31 C ATOM 411 CG LYS A 26 -13.197 13.492 9.810 1.00 14.23 C ATOM 412 CD LYS A 26 -14.251 12.948 10.766 1.00 74.23 C ATOM 413 CE LYS A 26 -15.606 12.780 10.092 1.00 5.40 C ATOM 414 NZ LYS A 26 -16.318 14.071 9.906 1.00 62.32 N ATOM 0 H LYS A 26 -12.185 10.238 10.255 1.00 50.21 H new ATOM 0 HA LYS A 26 -14.067 10.978 9.469 1.00 25.41 H new ATOM 0 HB2 LYS A 26 -12.206 12.888 8.011 1.00 64.31 H new ATOM 0 HB3 LYS A 26 -13.946 13.024 7.859 1.00 64.31 H new ATOM 0 HG2 LYS A 26 -12.220 13.469 10.292 1.00 14.23 H new ATOM 0 HG3 LYS A 26 -13.415 14.535 9.581 1.00 14.23 H new ATOM 0 HD2 LYS A 26 -13.921 11.987 11.159 1.00 74.23 H new ATOM 0 HD3 LYS A 26 -14.351 13.623 11.616 1.00 74.23 H new ATOM 0 HE2 LYS A 26 -15.468 12.303 9.122 1.00 5.40 H new ATOM 0 HE3 LYS A 26 -16.225 12.112 10.691 1.00 5.40 H new ATOM 0 HZ1 LYS A 26 -17.233 13.899 9.443 1.00 62.32 H new ATOM 0 HZ2 LYS A 26 -16.476 14.517 10.832 1.00 62.32 H new ATOM 0 HZ3 LYS A 26 -15.743 14.702 9.312 1.00 62.32 H new ATOM 428 N HIS A 27 -13.097 9.390 7.105 1.00 54.30 N ATOM 429 CA HIS A 27 -13.409 8.662 5.873 1.00 53.30 C ATOM 430 C HIS A 27 -13.185 7.169 6.088 1.00 31.13 C ATOM 431 O HIS A 27 -12.266 6.584 5.514 1.00 55.22 O ATOM 432 CB HIS A 27 -12.539 9.137 4.693 1.00 15.04 C ATOM 433 CG HIS A 27 -12.556 10.619 4.451 1.00 41.32 C ATOM 434 ND1 HIS A 27 -11.557 11.468 4.881 1.00 61.54 N ATOM 435 CD2 HIS A 27 -13.455 11.402 3.808 1.00 71.51 C ATOM 436 CE1 HIS A 27 -11.844 12.703 4.515 1.00 72.32 C ATOM 437 NE2 HIS A 27 -12.989 12.690 3.864 1.00 33.52 N ATOM 0 H HIS A 27 -12.365 8.961 7.671 1.00 54.30 H new ATOM 0 HA HIS A 27 -14.453 8.858 5.629 1.00 53.30 H new ATOM 0 HB2 HIS A 27 -11.510 8.824 4.870 1.00 15.04 H new ATOM 0 HB3 HIS A 27 -12.874 8.632 3.787 1.00 15.04 H new ATOM 0 HD1 HIS A 27 -10.726 11.185 5.401 1.00 61.54 H new ATOM 0 HD2 HIS A 27 -14.370 11.072 3.338 1.00 71.51 H new ATOM 0 HE1 HIS A 27 -11.242 13.577 4.715 1.00 72.32 H new ATOM 446 N PRO A 28 -14.016 6.532 6.927 1.00 63.51 N ATOM 447 CA PRO A 28 -13.807 5.137 7.326 1.00 52.23 C ATOM 448 C PRO A 28 -13.999 4.161 6.168 1.00 62.33 C ATOM 449 O PRO A 28 -13.161 3.290 5.930 1.00 74.14 O ATOM 450 CB PRO A 28 -14.868 4.905 8.406 1.00 41.45 C ATOM 451 CG PRO A 28 -15.922 5.927 8.145 1.00 5.13 C ATOM 452 CD PRO A 28 -15.225 7.113 7.539 1.00 73.53 C ATOM 0 HA PRO A 28 -12.787 4.966 7.671 1.00 52.23 H new ATOM 0 HB2 PRO A 28 -15.275 3.896 8.347 1.00 41.45 H new ATOM 0 HB3 PRO A 28 -14.446 5.021 9.404 1.00 41.45 H new ATOM 0 HG2 PRO A 28 -16.682 5.536 7.469 1.00 5.13 H new ATOM 0 HG3 PRO A 28 -16.430 6.205 9.068 1.00 5.13 H new ATOM 0 HD2 PRO A 28 -15.851 7.609 6.797 1.00 73.53 H new ATOM 0 HD3 PRO A 28 -14.973 7.858 8.294 1.00 73.53 H new ATOM 460 N ASN A 29 -15.097 4.322 5.444 1.00 41.33 N ATOM 461 CA ASN A 29 -15.426 3.442 4.344 1.00 35.12 C ATOM 462 C ASN A 29 -14.489 3.683 3.173 1.00 45.13 C ATOM 463 O ASN A 29 -14.068 2.747 2.499 1.00 2.01 O ATOM 464 CB ASN A 29 -16.868 3.693 3.927 1.00 74.53 C ATOM 465 CG ASN A 29 -17.319 2.812 2.790 1.00 70.53 C ATOM 466 OD1 ASN A 29 -16.907 1.657 2.668 1.00 43.05 O ATOM 467 ND2 ASN A 29 -18.171 3.356 1.949 1.00 64.12 N ATOM 0 H ASN A 29 -15.778 5.064 5.605 1.00 41.33 H new ATOM 0 HA ASN A 29 -15.311 2.405 4.660 1.00 35.12 H new ATOM 0 HB2 ASN A 29 -17.521 3.531 4.785 1.00 74.53 H new ATOM 0 HB3 ASN A 29 -16.979 4.737 3.635 1.00 74.53 H new ATOM 0 HD21 ASN A 29 -18.519 2.818 1.155 1.00 64.12 H new ATOM 0 HD22 ASN A 29 -18.484 4.316 2.090 1.00 64.12 H new ATOM 474 N ILE A 30 -14.145 4.946 2.957 1.00 61.10 N ATOM 475 CA ILE A 30 -13.298 5.327 1.836 1.00 62.53 C ATOM 476 C ILE A 30 -11.937 4.639 1.911 1.00 34.35 C ATOM 477 O ILE A 30 -11.520 3.972 0.964 1.00 65.13 O ATOM 478 CB ILE A 30 -13.100 6.858 1.768 1.00 12.04 C ATOM 479 CG1 ILE A 30 -14.456 7.556 1.641 1.00 43.41 C ATOM 480 CG2 ILE A 30 -12.193 7.231 0.600 1.00 12.02 C ATOM 481 CD1 ILE A 30 -14.365 9.055 1.453 1.00 35.23 C ATOM 0 H ILE A 30 -14.441 5.725 3.545 1.00 61.10 H new ATOM 0 HA ILE A 30 -13.809 5.002 0.930 1.00 62.53 H new ATOM 0 HB ILE A 30 -12.620 7.190 2.689 1.00 12.04 H new ATOM 0 HG12 ILE A 30 -14.996 7.127 0.797 1.00 43.41 H new ATOM 0 HG13 ILE A 30 -15.045 7.348 2.534 1.00 43.41 H new ATOM 0 HG21 ILE A 30 -12.066 8.313 0.569 1.00 12.02 H new ATOM 0 HG22 ILE A 30 -11.221 6.755 0.728 1.00 12.02 H new ATOM 0 HG23 ILE A 30 -12.643 6.892 -0.333 1.00 12.02 H new ATOM 0 HD11 ILE A 30 -15.368 9.473 1.372 1.00 35.23 H new ATOM 0 HD12 ILE A 30 -13.855 9.499 2.308 1.00 35.23 H new ATOM 0 HD13 ILE A 30 -13.806 9.274 0.544 1.00 35.23 H new ATOM 493 N VAL A 31 -11.258 4.776 3.045 1.00 4.31 N ATOM 494 CA VAL A 31 -9.928 4.206 3.195 1.00 62.34 C ATOM 495 C VAL A 31 -9.991 2.676 3.205 1.00 52.01 C ATOM 496 O VAL A 31 -9.140 2.009 2.619 1.00 11.13 O ATOM 497 CB VAL A 31 -9.208 4.728 4.469 1.00 54.22 C ATOM 498 CG1 VAL A 31 -9.901 4.263 5.741 1.00 1.13 C ATOM 499 CG2 VAL A 31 -7.744 4.309 4.466 1.00 40.03 C ATOM 0 H VAL A 31 -11.604 5.273 3.866 1.00 4.31 H new ATOM 0 HA VAL A 31 -9.343 4.529 2.334 1.00 62.34 H new ATOM 0 HB VAL A 31 -9.258 5.817 4.452 1.00 54.22 H new ATOM 0 HG11 VAL A 31 -9.366 4.649 6.609 1.00 1.13 H new ATOM 0 HG12 VAL A 31 -10.926 4.632 5.753 1.00 1.13 H new ATOM 0 HG13 VAL A 31 -9.907 3.174 5.774 1.00 1.13 H new ATOM 0 HG21 VAL A 31 -7.256 4.684 5.366 1.00 40.03 H new ATOM 0 HG22 VAL A 31 -7.677 3.221 4.443 1.00 40.03 H new ATOM 0 HG23 VAL A 31 -7.249 4.722 3.587 1.00 40.03 H new ATOM 509 N ARG A 32 -11.028 2.126 3.826 1.00 62.13 N ATOM 510 CA ARG A 32 -11.163 0.681 3.951 1.00 65.34 C ATOM 511 C ARG A 32 -11.488 0.047 2.600 1.00 23.33 C ATOM 512 O ARG A 32 -10.998 -1.038 2.282 1.00 24.12 O ATOM 513 CB ARG A 32 -12.237 0.345 4.993 1.00 63.33 C ATOM 514 CG ARG A 32 -12.403 -1.141 5.279 1.00 63.21 C ATOM 515 CD ARG A 32 -11.076 -1.804 5.620 1.00 51.20 C ATOM 516 NE ARG A 32 -11.251 -3.148 6.178 1.00 14.02 N ATOM 517 CZ ARG A 32 -11.717 -4.202 5.500 1.00 25.12 C ATOM 518 NH1 ARG A 32 -12.070 -4.084 4.224 1.00 53.44 N ATOM 519 NH2 ARG A 32 -11.809 -5.379 6.103 1.00 30.45 N ATOM 0 H ARG A 32 -11.787 2.659 4.250 1.00 62.13 H new ATOM 0 HA ARG A 32 -10.213 0.267 4.288 1.00 65.34 H new ATOM 0 HB2 ARG A 32 -11.992 0.855 5.925 1.00 63.33 H new ATOM 0 HB3 ARG A 32 -13.192 0.744 4.652 1.00 63.33 H new ATOM 0 HG2 ARG A 32 -13.100 -1.276 6.106 1.00 63.21 H new ATOM 0 HG3 ARG A 32 -12.841 -1.631 4.410 1.00 63.21 H new ATOM 0 HD2 ARG A 32 -10.461 -1.863 4.722 1.00 51.20 H new ATOM 0 HD3 ARG A 32 -10.536 -1.184 6.335 1.00 51.20 H new ATOM 0 HE ARG A 32 -10.999 -3.290 7.156 1.00 14.02 H new ATOM 0 HH11 ARG A 32 -11.987 -3.183 3.753 1.00 53.44 H new ATOM 0 HH12 ARG A 32 -12.424 -4.894 3.716 1.00 53.44 H new ATOM 0 HH21 ARG A 32 -11.525 -5.476 7.078 1.00 30.45 H new ATOM 0 HH22 ARG A 32 -12.164 -6.187 5.592 1.00 30.45 H new ATOM 533 N SER A 33 -12.306 0.726 1.809 1.00 3.45 N ATOM 534 CA SER A 33 -12.638 0.251 0.478 1.00 2.45 C ATOM 535 C SER A 33 -11.436 0.397 -0.449 1.00 15.04 C ATOM 536 O SER A 33 -11.192 -0.452 -1.309 1.00 22.12 O ATOM 537 CB SER A 33 -13.841 1.021 -0.082 1.00 43.32 C ATOM 538 OG SER A 33 -14.258 0.490 -1.330 1.00 51.12 O ATOM 0 H SER A 33 -12.751 1.607 2.067 1.00 3.45 H new ATOM 0 HA SER A 33 -12.904 -0.804 0.542 1.00 2.45 H new ATOM 0 HB2 SER A 33 -14.666 0.977 0.628 1.00 43.32 H new ATOM 0 HB3 SER A 33 -13.579 2.072 -0.201 1.00 43.32 H new ATOM 0 HG SER A 33 -15.027 0.999 -1.662 1.00 51.12 H new ATOM 544 N ARG A 34 -10.675 1.472 -0.263 1.00 15.44 N ATOM 545 CA ARG A 34 -9.502 1.714 -1.084 1.00 61.22 C ATOM 546 C ARG A 34 -8.435 0.663 -0.831 1.00 62.25 C ATOM 547 O ARG A 34 -7.923 0.069 -1.768 1.00 0.40 O ATOM 548 CB ARG A 34 -8.914 3.103 -0.838 1.00 11.13 C ATOM 549 CG ARG A 34 -7.679 3.367 -1.683 1.00 21.13 C ATOM 550 CD ARG A 34 -7.104 4.748 -1.440 1.00 3.00 C ATOM 551 NE ARG A 34 -5.885 4.971 -2.218 1.00 52.21 N ATOM 552 CZ ARG A 34 -5.051 5.988 -2.010 1.00 32.11 C ATOM 553 NH1 ARG A 34 -5.303 6.867 -1.049 1.00 63.14 N ATOM 554 NH2 ARG A 34 -3.966 6.128 -2.759 1.00 40.32 N ATOM 0 H ARG A 34 -10.852 2.184 0.446 1.00 15.44 H new ATOM 0 HA ARG A 34 -9.827 1.656 -2.123 1.00 61.22 H new ATOM 0 HB2 ARG A 34 -9.669 3.858 -1.057 1.00 11.13 H new ATOM 0 HB3 ARG A 34 -8.658 3.205 0.217 1.00 11.13 H new ATOM 0 HG2 ARG A 34 -6.921 2.616 -1.461 1.00 21.13 H new ATOM 0 HG3 ARG A 34 -7.933 3.261 -2.738 1.00 21.13 H new ATOM 0 HD2 ARG A 34 -7.846 5.502 -1.702 1.00 3.00 H new ATOM 0 HD3 ARG A 34 -6.886 4.870 -0.379 1.00 3.00 H new ATOM 0 HE ARG A 34 -5.661 4.310 -2.962 1.00 52.21 H new ATOM 0 HH11 ARG A 34 -6.136 6.764 -0.469 1.00 63.14 H new ATOM 0 HH12 ARG A 34 -4.664 7.646 -0.890 1.00 63.14 H new ATOM 0 HH21 ARG A 34 -3.767 5.455 -3.499 1.00 40.32 H new ATOM 0 HH22 ARG A 34 -3.331 6.909 -2.595 1.00 40.32 H new ATOM 568 N ILE A 35 -8.110 0.429 0.434 1.00 74.21 N ATOM 569 CA ILE A 35 -7.047 -0.509 0.783 1.00 73.45 C ATOM 570 C ILE A 35 -7.256 -1.860 0.108 1.00 0.43 C ATOM 571 O ILE A 35 -6.389 -2.327 -0.626 1.00 24.50 O ATOM 572 CB ILE A 35 -6.927 -0.705 2.314 1.00 45.31 C ATOM 573 CG1 ILE A 35 -6.479 0.598 2.981 1.00 5.11 C ATOM 574 CG2 ILE A 35 -5.950 -1.828 2.641 1.00 10.42 C ATOM 575 CD1 ILE A 35 -6.400 0.515 4.492 1.00 30.13 C ATOM 0 H ILE A 35 -8.564 0.872 1.233 1.00 74.21 H new ATOM 0 HA ILE A 35 -6.117 -0.072 0.420 1.00 73.45 H new ATOM 0 HB ILE A 35 -7.908 -0.981 2.702 1.00 45.31 H new ATOM 0 HG12 ILE A 35 -5.501 0.878 2.590 1.00 5.11 H new ATOM 0 HG13 ILE A 35 -7.172 1.393 2.706 1.00 5.11 H new ATOM 0 HG21 ILE A 35 -5.882 -1.948 3.722 1.00 10.42 H new ATOM 0 HG22 ILE A 35 -6.302 -2.758 2.195 1.00 10.42 H new ATOM 0 HG23 ILE A 35 -4.966 -1.583 2.240 1.00 10.42 H new ATOM 0 HD11 ILE A 35 -6.076 1.476 4.893 1.00 30.13 H new ATOM 0 HD12 ILE A 35 -7.382 0.266 4.895 1.00 30.13 H new ATOM 0 HD13 ILE A 35 -5.685 -0.257 4.777 1.00 30.13 H new ATOM 587 N GLU A 36 -8.428 -2.452 0.308 1.00 34.11 N ATOM 588 CA GLU A 36 -8.692 -3.808 -0.169 1.00 24.44 C ATOM 589 C GLU A 36 -8.836 -3.890 -1.690 1.00 22.22 C ATOM 590 O GLU A 36 -8.783 -4.978 -2.261 1.00 25.12 O ATOM 591 CB GLU A 36 -9.935 -4.380 0.513 1.00 23.44 C ATOM 592 CG GLU A 36 -9.758 -4.586 2.008 1.00 23.50 C ATOM 593 CD GLU A 36 -8.549 -5.439 2.343 1.00 35.43 C ATOM 594 OE1 GLU A 36 -8.380 -6.512 1.723 1.00 20.43 O ATOM 595 OE2 GLU A 36 -7.755 -5.037 3.213 1.00 2.21 O ATOM 0 H GLU A 36 -9.211 -2.017 0.796 1.00 34.11 H new ATOM 0 HA GLU A 36 -7.821 -4.407 0.097 1.00 24.44 H new ATOM 0 HB2 GLU A 36 -10.776 -3.708 0.343 1.00 23.44 H new ATOM 0 HB3 GLU A 36 -10.189 -5.333 0.049 1.00 23.44 H new ATOM 0 HG2 GLU A 36 -9.659 -3.616 2.495 1.00 23.50 H new ATOM 0 HG3 GLU A 36 -10.653 -5.057 2.414 1.00 23.50 H new ATOM 602 N LYS A 37 -9.021 -2.759 -2.349 1.00 52.21 N ATOM 603 CA LYS A 37 -9.148 -2.759 -3.802 1.00 32.24 C ATOM 604 C LYS A 37 -7.925 -2.138 -4.480 1.00 44.03 C ATOM 605 O LYS A 37 -7.250 -2.783 -5.278 1.00 71.25 O ATOM 606 CB LYS A 37 -10.420 -2.013 -4.213 1.00 41.31 C ATOM 607 CG LYS A 37 -10.451 -1.619 -5.682 1.00 61.33 C ATOM 608 CD LYS A 37 -10.336 -2.824 -6.604 1.00 64.55 C ATOM 609 CE LYS A 37 -9.947 -2.394 -8.006 1.00 45.32 C ATOM 610 NZ LYS A 37 -9.919 -3.536 -8.960 1.00 15.41 N ATOM 0 H LYS A 37 -9.086 -1.840 -1.912 1.00 52.21 H new ATOM 0 HA LYS A 37 -9.212 -3.796 -4.132 1.00 32.24 H new ATOM 0 HB2 LYS A 37 -11.285 -2.640 -3.996 1.00 41.31 H new ATOM 0 HB3 LYS A 37 -10.517 -1.115 -3.603 1.00 41.31 H new ATOM 0 HG2 LYS A 37 -11.379 -1.089 -5.894 1.00 61.33 H new ATOM 0 HG3 LYS A 37 -9.634 -0.927 -5.888 1.00 61.33 H new ATOM 0 HD2 LYS A 37 -9.592 -3.518 -6.212 1.00 64.55 H new ATOM 0 HD3 LYS A 37 -11.286 -3.358 -6.633 1.00 64.55 H new ATOM 0 HE2 LYS A 37 -10.652 -1.643 -8.362 1.00 45.32 H new ATOM 0 HE3 LYS A 37 -8.965 -1.922 -7.979 1.00 45.32 H new ATOM 0 HZ1 LYS A 37 -9.648 -3.193 -9.904 1.00 15.41 H new ATOM 0 HZ2 LYS A 37 -9.227 -4.242 -8.636 1.00 15.41 H new ATOM 0 HZ3 LYS A 37 -10.862 -3.972 -9.007 1.00 15.41 H new ATOM 624 N ASP A 38 -7.651 -0.893 -4.148 1.00 51.02 N ATOM 625 CA ASP A 38 -6.587 -0.121 -4.778 1.00 52.00 C ATOM 626 C ASP A 38 -5.210 -0.682 -4.427 1.00 24.14 C ATOM 627 O ASP A 38 -4.321 -0.743 -5.276 1.00 24.12 O ATOM 628 CB ASP A 38 -6.704 1.341 -4.331 1.00 53.23 C ATOM 629 CG ASP A 38 -5.876 2.300 -5.157 1.00 3.14 C ATOM 630 OD1 ASP A 38 -6.073 2.335 -6.394 1.00 61.32 O ATOM 631 OD2 ASP A 38 -5.064 3.048 -4.567 1.00 5.12 O ATOM 0 H ASP A 38 -8.161 -0.380 -3.429 1.00 51.02 H new ATOM 0 HA ASP A 38 -6.695 -0.185 -5.861 1.00 52.00 H new ATOM 0 HB2 ASP A 38 -7.750 1.644 -4.380 1.00 53.23 H new ATOM 0 HB3 ASP A 38 -6.399 1.418 -3.287 1.00 53.23 H new ATOM 636 N ILE A 39 -5.053 -1.117 -3.181 1.00 41.52 N ATOM 637 CA ILE A 39 -3.765 -1.605 -2.696 1.00 40.30 C ATOM 638 C ILE A 39 -3.636 -3.127 -2.847 1.00 44.44 C ATOM 639 O ILE A 39 -2.535 -3.646 -3.027 1.00 43.52 O ATOM 640 CB ILE A 39 -3.549 -1.203 -1.217 1.00 40.43 C ATOM 641 CG1 ILE A 39 -3.675 0.318 -1.062 1.00 60.34 C ATOM 642 CG2 ILE A 39 -2.188 -1.678 -0.723 1.00 20.15 C ATOM 643 CD1 ILE A 39 -3.525 0.802 0.364 1.00 65.34 C ATOM 0 H ILE A 39 -5.801 -1.142 -2.488 1.00 41.52 H new ATOM 0 HA ILE A 39 -2.994 -1.140 -3.310 1.00 40.30 H new ATOM 0 HB ILE A 39 -4.317 -1.683 -0.611 1.00 40.43 H new ATOM 0 HG12 ILE A 39 -2.919 0.801 -1.681 1.00 60.34 H new ATOM 0 HG13 ILE A 39 -4.647 0.633 -1.442 1.00 60.34 H new ATOM 0 HG21 ILE A 39 -2.056 -1.385 0.319 1.00 20.15 H new ATOM 0 HG22 ILE A 39 -2.130 -2.763 -0.805 1.00 20.15 H new ATOM 0 HG23 ILE A 39 -1.403 -1.226 -1.329 1.00 20.15 H new ATOM 0 HD11 ILE A 39 -3.626 1.887 0.393 1.00 65.34 H new ATOM 0 HD12 ILE A 39 -4.298 0.349 0.985 1.00 65.34 H new ATOM 0 HD13 ILE A 39 -2.543 0.519 0.743 1.00 65.34 H new ATOM 655 N LYS A 40 -4.755 -3.843 -2.762 1.00 54.20 N ATOM 656 CA LYS A 40 -4.746 -5.301 -2.908 1.00 33.13 C ATOM 657 C LYS A 40 -5.301 -5.731 -4.271 1.00 21.14 C ATOM 658 O LYS A 40 -6.498 -6.001 -4.390 1.00 74.21 O ATOM 659 CB LYS A 40 -5.601 -5.958 -1.814 1.00 21.12 C ATOM 660 CG LYS A 40 -5.705 -5.147 -0.535 1.00 44.11 C ATOM 661 CD LYS A 40 -4.456 -5.236 0.311 1.00 11.43 C ATOM 662 CE LYS A 40 -4.398 -6.560 1.038 1.00 41.02 C ATOM 663 NZ LYS A 40 -5.537 -6.732 1.984 1.00 64.02 N ATOM 0 H LYS A 40 -5.677 -3.441 -2.593 1.00 54.20 H new ATOM 0 HA LYS A 40 -3.708 -5.623 -2.821 1.00 33.13 H new ATOM 0 HB2 LYS A 40 -6.604 -6.128 -2.206 1.00 21.12 H new ATOM 0 HB3 LYS A 40 -5.181 -6.936 -1.578 1.00 21.12 H new ATOM 0 HG2 LYS A 40 -5.897 -4.104 -0.785 1.00 44.11 H new ATOM 0 HG3 LYS A 40 -6.558 -5.498 0.045 1.00 44.11 H new ATOM 0 HD2 LYS A 40 -3.574 -5.123 -0.320 1.00 11.43 H new ATOM 0 HD3 LYS A 40 -4.440 -4.418 1.032 1.00 11.43 H new ATOM 0 HE2 LYS A 40 -4.405 -7.372 0.311 1.00 41.02 H new ATOM 0 HE3 LYS A 40 -3.459 -6.631 1.586 1.00 41.02 H new ATOM 0 HZ1 LYS A 40 -5.514 -7.692 2.384 1.00 64.02 H new ATOM 0 HZ2 LYS A 40 -5.459 -6.035 2.752 1.00 64.02 H new ATOM 0 HZ3 LYS A 40 -6.434 -6.590 1.477 1.00 64.02 H new ATOM 677 N PRO A 41 -4.469 -5.781 -5.325 1.00 14.05 N ATOM 678 CA PRO A 41 -4.902 -6.285 -6.621 1.00 70.24 C ATOM 679 C PRO A 41 -4.785 -7.809 -6.718 1.00 71.20 C ATOM 680 O PRO A 41 -5.771 -8.501 -6.960 1.00 35.25 O ATOM 681 CB PRO A 41 -3.946 -5.597 -7.597 1.00 31.44 C ATOM 682 CG PRO A 41 -2.697 -5.335 -6.816 1.00 65.01 C ATOM 683 CD PRO A 41 -3.069 -5.327 -5.352 1.00 33.22 C ATOM 0 HA PRO A 41 -5.953 -6.075 -6.819 1.00 70.24 H new ATOM 0 HB2 PRO A 41 -3.743 -6.231 -8.460 1.00 31.44 H new ATOM 0 HB3 PRO A 41 -4.373 -4.669 -7.976 1.00 31.44 H new ATOM 0 HG2 PRO A 41 -1.951 -6.103 -7.018 1.00 65.01 H new ATOM 0 HG3 PRO A 41 -2.258 -4.380 -7.105 1.00 65.01 H new ATOM 0 HD2 PRO A 41 -2.425 -5.991 -4.775 1.00 33.22 H new ATOM 0 HD3 PRO A 41 -2.966 -4.331 -4.922 1.00 33.22 H new ATOM 691 N ALA A 42 -3.585 -8.327 -6.492 1.00 74.10 N ATOM 692 CA ALA A 42 -3.350 -9.763 -6.540 1.00 34.54 C ATOM 693 C ALA A 42 -2.319 -10.173 -5.500 1.00 43.24 C ATOM 694 O ALA A 42 -1.761 -11.266 -5.553 1.00 73.20 O ATOM 695 CB ALA A 42 -2.899 -10.175 -7.935 1.00 33.11 C ATOM 0 H ALA A 42 -2.758 -7.772 -6.273 1.00 74.10 H new ATOM 0 HA ALA A 42 -4.284 -10.276 -6.311 1.00 34.54 H new ATOM 0 HB1 ALA A 42 -2.726 -11.251 -7.959 1.00 33.11 H new ATOM 0 HB2 ALA A 42 -3.672 -9.916 -8.659 1.00 33.11 H new ATOM 0 HB3 ALA A 42 -1.976 -9.654 -8.188 1.00 33.11 H new ATOM 701 N ILE A 43 -2.088 -9.298 -4.537 1.00 33.15 N ATOM 702 CA ILE A 43 -1.082 -9.540 -3.514 1.00 5.33 C ATOM 703 C ILE A 43 -1.695 -9.515 -2.119 1.00 65.43 C ATOM 704 O ILE A 43 -0.980 -9.467 -1.123 1.00 44.13 O ATOM 705 CB ILE A 43 0.047 -8.494 -3.582 1.00 52.31 C ATOM 706 CG1 ILE A 43 -0.548 -7.087 -3.660 1.00 63.31 C ATOM 707 CG2 ILE A 43 0.959 -8.769 -4.770 1.00 42.34 C ATOM 708 CD1 ILE A 43 0.464 -5.985 -3.437 1.00 1.30 C ATOM 0 H ILE A 43 -2.584 -8.412 -4.441 1.00 33.15 H new ATOM 0 HA ILE A 43 -0.668 -10.530 -3.707 1.00 5.33 H new ATOM 0 HB ILE A 43 0.649 -8.563 -2.676 1.00 52.31 H new ATOM 0 HG12 ILE A 43 -1.010 -6.951 -4.638 1.00 63.31 H new ATOM 0 HG13 ILE A 43 -1.341 -6.996 -2.917 1.00 63.31 H new ATOM 0 HG21 ILE A 43 1.750 -8.020 -4.802 1.00 42.34 H new ATOM 0 HG22 ILE A 43 1.401 -9.760 -4.668 1.00 42.34 H new ATOM 0 HG23 ILE A 43 0.379 -8.724 -5.692 1.00 42.34 H new ATOM 0 HD11 ILE A 43 -0.031 -5.017 -3.507 1.00 1.30 H new ATOM 0 HD12 ILE A 43 0.909 -6.094 -2.448 1.00 1.30 H new ATOM 0 HD13 ILE A 43 1.245 -6.049 -4.195 1.00 1.30 H new ATOM 720 N GLY A 44 -3.020 -9.564 -2.047 1.00 62.43 N ATOM 721 CA GLY A 44 -3.691 -9.491 -0.761 1.00 33.23 C ATOM 722 C GLY A 44 -3.397 -10.689 0.121 1.00 22.22 C ATOM 723 O GLY A 44 -3.339 -10.570 1.344 1.00 73.24 O ATOM 0 H GLY A 44 -3.640 -9.653 -2.852 1.00 62.43 H new ATOM 0 HA2 GLY A 44 -3.382 -8.581 -0.246 1.00 33.23 H new ATOM 0 HA3 GLY A 44 -4.767 -9.418 -0.921 1.00 33.23 H new ATOM 727 N SER A 45 -3.199 -11.839 -0.503 1.00 33.03 N ATOM 728 CA SER A 45 -2.912 -13.068 0.221 1.00 52.31 C ATOM 729 C SER A 45 -1.405 -13.324 0.263 1.00 5.52 C ATOM 730 O SER A 45 -0.954 -14.442 0.517 1.00 13.10 O ATOM 731 CB SER A 45 -3.626 -14.232 -0.461 1.00 12.50 C ATOM 732 OG SER A 45 -4.979 -13.903 -0.724 1.00 24.01 O ATOM 0 H SER A 45 -3.232 -11.948 -1.517 1.00 33.03 H new ATOM 0 HA SER A 45 -3.270 -12.973 1.246 1.00 52.31 H new ATOM 0 HB2 SER A 45 -3.119 -14.481 -1.393 1.00 12.50 H new ATOM 0 HB3 SER A 45 -3.578 -15.117 0.174 1.00 12.50 H new ATOM 0 HG SER A 45 -5.420 -14.660 -1.163 1.00 24.01 H new ATOM 738 N LEU A 46 -0.636 -12.276 0.019 1.00 61.01 N ATOM 739 CA LEU A 46 0.812 -12.384 -0.038 1.00 11.53 C ATOM 740 C LEU A 46 1.429 -11.709 1.187 1.00 24.30 C ATOM 741 O LEU A 46 0.829 -10.800 1.768 1.00 63.22 O ATOM 742 CB LEU A 46 1.311 -11.734 -1.333 1.00 5.50 C ATOM 743 CG LEU A 46 2.667 -12.216 -1.841 1.00 53.10 C ATOM 744 CD1 LEU A 46 2.622 -13.705 -2.159 1.00 61.00 C ATOM 745 CD2 LEU A 46 3.084 -11.423 -3.073 1.00 24.13 C ATOM 0 H LEU A 46 -0.994 -11.335 -0.144 1.00 61.01 H new ATOM 0 HA LEU A 46 1.110 -13.432 -0.033 1.00 11.53 H new ATOM 0 HB2 LEU A 46 0.570 -11.908 -2.113 1.00 5.50 H new ATOM 0 HB3 LEU A 46 1.365 -10.656 -1.179 1.00 5.50 H new ATOM 0 HG LEU A 46 3.406 -12.054 -1.056 1.00 53.10 H new ATOM 0 HD11 LEU A 46 3.598 -14.030 -2.520 1.00 61.00 H new ATOM 0 HD12 LEU A 46 2.364 -14.262 -1.258 1.00 61.00 H new ATOM 0 HD13 LEU A 46 1.871 -13.890 -2.927 1.00 61.00 H new ATOM 0 HD21 LEU A 46 4.053 -11.778 -3.424 1.00 24.13 H new ATOM 0 HD22 LEU A 46 2.342 -11.557 -3.860 1.00 24.13 H new ATOM 0 HD23 LEU A 46 3.156 -10.366 -2.818 1.00 24.13 H new ATOM 757 N LYS A 47 2.612 -12.161 1.594 1.00 60.34 N ATOM 758 CA LYS A 47 3.278 -11.583 2.757 1.00 23.12 C ATOM 759 C LYS A 47 3.889 -10.231 2.427 1.00 52.13 C ATOM 760 O LYS A 47 3.905 -9.796 1.276 1.00 31.13 O ATOM 761 CB LYS A 47 4.396 -12.484 3.282 1.00 0.33 C ATOM 762 CG LYS A 47 3.943 -13.823 3.833 1.00 74.01 C ATOM 763 CD LYS A 47 5.089 -14.530 4.546 1.00 71.12 C ATOM 764 CE LYS A 47 6.354 -14.538 3.697 1.00 31.54 C ATOM 765 NZ LYS A 47 7.486 -15.235 4.367 1.00 33.21 N ATOM 0 H LYS A 47 3.125 -12.918 1.141 1.00 60.34 H new ATOM 0 HA LYS A 47 2.507 -11.474 3.520 1.00 23.12 H new ATOM 0 HB2 LYS A 47 5.106 -12.663 2.474 1.00 0.33 H new ATOM 0 HB3 LYS A 47 4.933 -11.950 4.066 1.00 0.33 H new ATOM 0 HG2 LYS A 47 3.114 -13.675 4.525 1.00 74.01 H new ATOM 0 HG3 LYS A 47 3.572 -14.449 3.021 1.00 74.01 H new ATOM 0 HD2 LYS A 47 5.290 -14.034 5.495 1.00 71.12 H new ATOM 0 HD3 LYS A 47 4.798 -15.555 4.777 1.00 71.12 H new ATOM 0 HE2 LYS A 47 6.145 -15.024 2.744 1.00 31.54 H new ATOM 0 HE3 LYS A 47 6.645 -13.511 3.474 1.00 31.54 H new ATOM 0 HZ1 LYS A 47 8.387 -14.872 3.994 1.00 33.21 H new ATOM 0 HZ2 LYS A 47 7.442 -15.064 5.392 1.00 33.21 H new ATOM 0 HZ3 LYS A 47 7.422 -16.257 4.184 1.00 33.21 H new ATOM 779 N VAL A 48 4.432 -9.594 3.451 1.00 3.15 N ATOM 780 CA VAL A 48 5.119 -8.320 3.282 1.00 40.54 C ATOM 781 C VAL A 48 6.535 -8.579 2.784 1.00 51.42 C ATOM 782 O VAL A 48 7.156 -7.741 2.138 1.00 34.24 O ATOM 783 CB VAL A 48 5.169 -7.523 4.603 1.00 44.04 C ATOM 784 CG1 VAL A 48 5.744 -6.133 4.375 1.00 25.12 C ATOM 785 CG2 VAL A 48 3.787 -7.445 5.236 1.00 62.34 C ATOM 0 H VAL A 48 4.411 -9.938 4.411 1.00 3.15 H new ATOM 0 HA VAL A 48 4.566 -7.725 2.555 1.00 40.54 H new ATOM 0 HB VAL A 48 5.828 -8.049 5.294 1.00 44.04 H new ATOM 0 HG11 VAL A 48 5.769 -5.590 5.320 1.00 25.12 H new ATOM 0 HG12 VAL A 48 6.756 -6.218 3.978 1.00 25.12 H new ATOM 0 HG13 VAL A 48 5.120 -5.593 3.663 1.00 25.12 H new ATOM 0 HG21 VAL A 48 3.844 -6.879 6.166 1.00 62.34 H new ATOM 0 HG22 VAL A 48 3.100 -6.948 4.551 1.00 62.34 H new ATOM 0 HG23 VAL A 48 3.425 -8.452 5.445 1.00 62.34 H new ATOM 795 N GLU A 49 7.024 -9.771 3.080 1.00 35.11 N ATOM 796 CA GLU A 49 8.339 -10.201 2.636 1.00 52.44 C ATOM 797 C GLU A 49 8.326 -10.464 1.129 1.00 4.02 C ATOM 798 O GLU A 49 9.371 -10.492 0.478 1.00 4.41 O ATOM 799 CB GLU A 49 8.731 -11.467 3.402 1.00 12.44 C ATOM 800 CG GLU A 49 10.105 -12.015 3.060 1.00 12.31 C ATOM 801 CD GLU A 49 10.389 -13.317 3.778 1.00 41.03 C ATOM 802 OE1 GLU A 49 9.883 -14.371 3.330 1.00 2.31 O ATOM 803 OE2 GLU A 49 11.108 -13.296 4.796 1.00 55.13 O ATOM 0 H GLU A 49 6.523 -10.466 3.633 1.00 35.11 H new ATOM 0 HA GLU A 49 9.071 -9.418 2.835 1.00 52.44 H new ATOM 0 HB2 GLU A 49 8.695 -11.255 4.471 1.00 12.44 H new ATOM 0 HB3 GLU A 49 7.987 -12.239 3.205 1.00 12.44 H new ATOM 0 HG2 GLU A 49 10.176 -12.171 1.984 1.00 12.31 H new ATOM 0 HG3 GLU A 49 10.865 -11.281 3.326 1.00 12.31 H new ATOM 810 N ASP A 50 7.128 -10.632 0.580 1.00 2.13 N ATOM 811 CA ASP A 50 6.967 -10.971 -0.827 1.00 62.11 C ATOM 812 C ASP A 50 6.690 -9.737 -1.682 1.00 51.34 C ATOM 813 O ASP A 50 6.923 -9.753 -2.894 1.00 65.31 O ATOM 814 CB ASP A 50 5.825 -11.971 -1.011 1.00 22.25 C ATOM 815 CG ASP A 50 6.146 -13.357 -0.496 1.00 5.14 C ATOM 816 OD1 ASP A 50 6.865 -14.100 -1.195 1.00 21.43 O ATOM 817 OD2 ASP A 50 5.665 -13.719 0.600 1.00 3.22 O ATOM 0 H ASP A 50 6.251 -10.538 1.092 1.00 2.13 H new ATOM 0 HA ASP A 50 7.906 -11.416 -1.155 1.00 62.11 H new ATOM 0 HB2 ASP A 50 4.939 -11.597 -0.497 1.00 22.25 H new ATOM 0 HB3 ASP A 50 5.576 -12.035 -2.070 1.00 22.25 H new ATOM 822 N VAL A 51 6.187 -8.670 -1.069 1.00 32.41 N ATOM 823 CA VAL A 51 5.832 -7.478 -1.828 1.00 43.10 C ATOM 824 C VAL A 51 7.084 -6.688 -2.228 1.00 42.21 C ATOM 825 O VAL A 51 7.519 -5.758 -1.554 1.00 32.42 O ATOM 826 CB VAL A 51 4.799 -6.582 -1.091 1.00 11.34 C ATOM 827 CG1 VAL A 51 5.294 -6.150 0.280 1.00 75.44 C ATOM 828 CG2 VAL A 51 4.433 -5.372 -1.940 1.00 51.23 C ATOM 0 H VAL A 51 6.018 -8.606 -0.065 1.00 32.41 H new ATOM 0 HA VAL A 51 5.341 -7.818 -2.740 1.00 43.10 H new ATOM 0 HB VAL A 51 3.902 -7.182 -0.935 1.00 11.34 H new ATOM 0 HG11 VAL A 51 4.540 -5.525 0.759 1.00 75.44 H new ATOM 0 HG12 VAL A 51 5.479 -7.031 0.894 1.00 75.44 H new ATOM 0 HG13 VAL A 51 6.219 -5.583 0.171 1.00 75.44 H new ATOM 0 HG21 VAL A 51 3.708 -4.758 -1.405 1.00 51.23 H new ATOM 0 HG22 VAL A 51 5.329 -4.784 -2.141 1.00 51.23 H new ATOM 0 HG23 VAL A 51 4.000 -5.707 -2.883 1.00 51.23 H new ATOM 838 N LYS A 52 7.677 -7.119 -3.326 1.00 65.40 N ATOM 839 CA LYS A 52 8.864 -6.489 -3.879 1.00 74.11 C ATOM 840 C LYS A 52 8.486 -5.369 -4.852 1.00 52.13 C ATOM 841 O LYS A 52 7.348 -5.322 -5.330 1.00 41.23 O ATOM 842 CB LYS A 52 9.717 -7.557 -4.565 1.00 13.40 C ATOM 843 CG LYS A 52 8.958 -8.403 -5.571 1.00 64.31 C ATOM 844 CD LYS A 52 9.669 -9.720 -5.829 1.00 55.32 C ATOM 845 CE LYS A 52 9.826 -10.521 -4.543 1.00 43.35 C ATOM 846 NZ LYS A 52 10.491 -11.827 -4.776 1.00 44.22 N ATOM 0 H LYS A 52 7.347 -7.921 -3.863 1.00 65.40 H new ATOM 0 HA LYS A 52 9.442 -6.032 -3.076 1.00 74.11 H new ATOM 0 HB2 LYS A 52 10.551 -7.071 -5.071 1.00 13.40 H new ATOM 0 HB3 LYS A 52 10.143 -8.211 -3.804 1.00 13.40 H new ATOM 0 HG2 LYS A 52 7.951 -8.597 -5.201 1.00 64.31 H new ATOM 0 HG3 LYS A 52 8.854 -7.854 -6.507 1.00 64.31 H new ATOM 0 HD2 LYS A 52 9.107 -10.304 -6.558 1.00 55.32 H new ATOM 0 HD3 LYS A 52 10.650 -9.528 -6.263 1.00 55.32 H new ATOM 0 HE2 LYS A 52 10.407 -9.942 -3.825 1.00 43.35 H new ATOM 0 HE3 LYS A 52 8.845 -10.689 -4.099 1.00 43.35 H new ATOM 0 HZ1 LYS A 52 10.577 -12.338 -3.875 1.00 44.22 H new ATOM 0 HZ2 LYS A 52 9.925 -12.391 -5.441 1.00 44.22 H new ATOM 0 HZ3 LYS A 52 11.438 -11.668 -5.176 1.00 44.22 H new ATOM 860 N PRO A 53 9.442 -4.459 -5.154 1.00 3.31 N ATOM 861 CA PRO A 53 9.204 -3.272 -5.997 1.00 23.40 C ATOM 862 C PRO A 53 8.488 -3.570 -7.314 1.00 70.21 C ATOM 863 O PRO A 53 7.739 -2.734 -7.817 1.00 62.32 O ATOM 864 CB PRO A 53 10.614 -2.748 -6.275 1.00 63.42 C ATOM 865 CG PRO A 53 11.416 -3.187 -5.101 1.00 12.02 C ATOM 866 CD PRO A 53 10.840 -4.509 -4.675 1.00 12.23 C ATOM 0 HA PRO A 53 8.545 -2.567 -5.491 1.00 23.40 H new ATOM 0 HB2 PRO A 53 11.013 -3.157 -7.203 1.00 63.42 H new ATOM 0 HB3 PRO A 53 10.621 -1.663 -6.376 1.00 63.42 H new ATOM 0 HG2 PRO A 53 12.469 -3.287 -5.364 1.00 12.02 H new ATOM 0 HG3 PRO A 53 11.357 -2.457 -4.293 1.00 12.02 H new ATOM 0 HD2 PRO A 53 11.384 -5.343 -5.118 1.00 12.23 H new ATOM 0 HD3 PRO A 53 10.887 -4.636 -3.593 1.00 12.23 H new ATOM 874 N ARG A 54 8.710 -4.757 -7.871 1.00 61.31 N ATOM 875 CA ARG A 54 8.085 -5.130 -9.137 1.00 14.43 C ATOM 876 C ARG A 54 6.563 -5.142 -9.047 1.00 51.23 C ATOM 877 O ARG A 54 5.878 -4.864 -10.030 1.00 74.33 O ATOM 878 CB ARG A 54 8.600 -6.480 -9.619 1.00 40.11 C ATOM 879 CG ARG A 54 9.644 -6.332 -10.703 1.00 24.40 C ATOM 880 CD ARG A 54 9.073 -5.558 -11.877 1.00 30.01 C ATOM 881 NE ARG A 54 10.109 -5.065 -12.782 1.00 32.12 N ATOM 882 CZ ARG A 54 9.867 -4.241 -13.803 1.00 54.31 C ATOM 883 NH1 ARG A 54 8.616 -3.924 -14.127 1.00 0.41 N ATOM 884 NH2 ARG A 54 10.874 -3.755 -14.517 1.00 50.41 N ATOM 0 H ARG A 54 9.314 -5.474 -7.469 1.00 61.31 H new ATOM 0 HA ARG A 54 8.362 -4.367 -9.865 1.00 14.43 H new ATOM 0 HB2 ARG A 54 9.025 -7.027 -8.778 1.00 40.11 H new ATOM 0 HB3 ARG A 54 7.767 -7.073 -9.996 1.00 40.11 H new ATOM 0 HG2 ARG A 54 10.519 -5.815 -10.308 1.00 24.40 H new ATOM 0 HG3 ARG A 54 9.977 -7.316 -11.034 1.00 24.40 H new ATOM 0 HD2 ARG A 54 8.387 -6.199 -12.431 1.00 30.01 H new ATOM 0 HD3 ARG A 54 8.491 -4.715 -11.503 1.00 30.01 H new ATOM 0 HE ARG A 54 11.070 -5.368 -12.624 1.00 32.12 H new ATOM 0 HH11 ARG A 54 7.837 -4.311 -13.594 1.00 0.41 H new ATOM 0 HH12 ARG A 54 8.436 -3.294 -14.908 1.00 0.41 H new ATOM 0 HH21 ARG A 54 11.834 -4.011 -14.285 1.00 50.41 H new ATOM 0 HH22 ARG A 54 10.688 -3.125 -15.298 1.00 50.41 H new ATOM 898 N HIS A 55 6.041 -5.452 -7.873 1.00 52.20 N ATOM 899 CA HIS A 55 4.596 -5.415 -7.656 1.00 23.05 C ATOM 900 C HIS A 55 4.125 -3.967 -7.603 1.00 40.34 C ATOM 901 O HIS A 55 3.053 -3.630 -8.096 1.00 43.41 O ATOM 902 CB HIS A 55 4.196 -6.130 -6.358 1.00 73.40 C ATOM 903 CG HIS A 55 4.607 -7.566 -6.293 1.00 54.11 C ATOM 904 ND1 HIS A 55 3.968 -8.575 -6.980 1.00 51.40 N ATOM 905 CD2 HIS A 55 5.607 -8.162 -5.607 1.00 74.21 C ATOM 906 CE1 HIS A 55 4.561 -9.724 -6.719 1.00 74.10 C ATOM 907 NE2 HIS A 55 5.558 -9.501 -5.889 1.00 34.21 N ATOM 0 H HIS A 55 6.587 -5.731 -7.058 1.00 52.20 H new ATOM 0 HA HIS A 55 4.121 -5.936 -8.487 1.00 23.05 H new ATOM 0 HB2 HIS A 55 4.638 -5.600 -5.514 1.00 73.40 H new ATOM 0 HB3 HIS A 55 3.114 -6.069 -6.242 1.00 73.40 H new ATOM 0 HD2 HIS A 55 6.315 -7.672 -4.955 1.00 74.21 H new ATOM 0 HE1 HIS A 55 4.276 -10.686 -7.119 1.00 74.10 H new ATOM 0 HE2 HIS A 55 6.190 -10.210 -5.517 1.00 34.21 H new ATOM 916 N ILE A 56 4.960 -3.115 -7.016 1.00 2.13 N ATOM 917 CA ILE A 56 4.639 -1.702 -6.842 1.00 70.13 C ATOM 918 C ILE A 56 4.565 -0.993 -8.193 1.00 64.30 C ATOM 919 O ILE A 56 3.752 -0.092 -8.389 1.00 52.34 O ATOM 920 CB ILE A 56 5.687 -0.999 -5.945 1.00 54.21 C ATOM 921 CG1 ILE A 56 5.825 -1.726 -4.602 1.00 22.44 C ATOM 922 CG2 ILE A 56 5.319 0.463 -5.714 1.00 54.21 C ATOM 923 CD1 ILE A 56 4.536 -1.801 -3.808 1.00 30.44 C ATOM 0 H ILE A 56 5.873 -3.382 -6.649 1.00 2.13 H new ATOM 0 HA ILE A 56 3.665 -1.645 -6.355 1.00 70.13 H new ATOM 0 HB ILE A 56 6.645 -1.034 -6.463 1.00 54.21 H new ATOM 0 HG12 ILE A 56 6.188 -2.738 -4.783 1.00 22.44 H new ATOM 0 HG13 ILE A 56 6.581 -1.219 -4.002 1.00 22.44 H new ATOM 0 HG21 ILE A 56 6.072 0.932 -5.081 1.00 54.21 H new ATOM 0 HG22 ILE A 56 5.275 0.983 -6.671 1.00 54.21 H new ATOM 0 HG23 ILE A 56 4.347 0.521 -5.225 1.00 54.21 H new ATOM 0 HD11 ILE A 56 4.716 -2.329 -2.872 1.00 30.44 H new ATOM 0 HD12 ILE A 56 4.182 -0.793 -3.593 1.00 30.44 H new ATOM 0 HD13 ILE A 56 3.782 -2.335 -4.387 1.00 30.44 H new ATOM 935 N ASP A 57 5.398 -1.423 -9.131 1.00 22.13 N ATOM 936 CA ASP A 57 5.454 -0.803 -10.451 1.00 42.31 C ATOM 937 C ASP A 57 4.137 -0.987 -11.191 1.00 55.43 C ATOM 938 O ASP A 57 3.598 -0.041 -11.772 1.00 62.12 O ATOM 939 CB ASP A 57 6.603 -1.402 -11.269 1.00 0.51 C ATOM 940 CG ASP A 57 6.712 -0.783 -12.646 1.00 44.44 C ATOM 941 OD1 ASP A 57 7.390 0.257 -12.778 1.00 73.00 O ATOM 942 OD2 ASP A 57 6.140 -1.340 -13.604 1.00 62.41 O ATOM 0 H ASP A 57 6.046 -2.200 -9.003 1.00 22.13 H new ATOM 0 HA ASP A 57 5.629 0.265 -10.319 1.00 42.31 H new ATOM 0 HB2 ASP A 57 7.541 -1.258 -10.733 1.00 0.51 H new ATOM 0 HB3 ASP A 57 6.454 -2.477 -11.367 1.00 0.51 H new ATOM 947 N ASP A 58 3.609 -2.201 -11.147 1.00 73.41 N ATOM 948 CA ASP A 58 2.355 -2.503 -11.823 1.00 13.34 C ATOM 949 C ASP A 58 1.183 -1.803 -11.150 1.00 71.43 C ATOM 950 O ASP A 58 0.328 -1.233 -11.827 1.00 42.14 O ATOM 951 CB ASP A 58 2.096 -4.008 -11.870 1.00 3.54 C ATOM 952 CG ASP A 58 2.904 -4.714 -12.939 1.00 24.22 C ATOM 953 OD1 ASP A 58 2.644 -4.483 -14.141 1.00 61.32 O ATOM 954 OD2 ASP A 58 3.795 -5.515 -12.588 1.00 14.32 O ATOM 0 H ASP A 58 4.026 -2.990 -10.653 1.00 73.41 H new ATOM 0 HA ASP A 58 2.446 -2.132 -12.844 1.00 13.34 H new ATOM 0 HB2 ASP A 58 2.331 -4.442 -10.898 1.00 3.54 H new ATOM 0 HB3 ASP A 58 1.035 -4.183 -12.049 1.00 3.54 H new ATOM 959 N VAL A 59 1.149 -1.825 -9.819 1.00 40.21 N ATOM 960 CA VAL A 59 0.032 -1.232 -9.092 1.00 44.22 C ATOM 961 C VAL A 59 -0.001 0.285 -9.267 1.00 1.50 C ATOM 962 O VAL A 59 -1.069 0.869 -9.384 1.00 54.51 O ATOM 963 CB VAL A 59 0.031 -1.594 -7.585 1.00 3.50 C ATOM 964 CG1 VAL A 59 -0.028 -3.101 -7.406 1.00 31.24 C ATOM 965 CG2 VAL A 59 1.234 -1.014 -6.858 1.00 33.12 C ATOM 0 H VAL A 59 1.871 -2.241 -9.231 1.00 40.21 H new ATOM 0 HA VAL A 59 -0.870 -1.661 -9.528 1.00 44.22 H new ATOM 0 HB VAL A 59 -0.859 -1.148 -7.140 1.00 3.50 H new ATOM 0 HG11 VAL A 59 -0.028 -3.341 -6.343 1.00 31.24 H new ATOM 0 HG12 VAL A 59 -0.938 -3.487 -7.865 1.00 31.24 H new ATOM 0 HG13 VAL A 59 0.840 -3.558 -7.881 1.00 31.24 H new ATOM 0 HG21 VAL A 59 1.192 -1.293 -5.805 1.00 33.12 H new ATOM 0 HG22 VAL A 59 2.150 -1.405 -7.301 1.00 33.12 H new ATOM 0 HG23 VAL A 59 1.224 0.072 -6.946 1.00 33.12 H new ATOM 975 N LEU A 60 1.171 0.915 -9.324 1.00 74.14 N ATOM 976 CA LEU A 60 1.254 2.359 -9.543 1.00 72.43 C ATOM 977 C LEU A 60 0.718 2.720 -10.919 1.00 61.32 C ATOM 978 O LEU A 60 0.030 3.724 -11.090 1.00 34.24 O ATOM 979 CB LEU A 60 2.697 2.846 -9.409 1.00 74.11 C ATOM 980 CG LEU A 60 3.253 2.850 -7.988 1.00 5.20 C ATOM 981 CD1 LEU A 60 4.681 3.365 -7.983 1.00 42.51 C ATOM 982 CD2 LEU A 60 2.374 3.690 -7.072 1.00 73.23 C ATOM 0 H LEU A 60 2.074 0.451 -9.222 1.00 74.14 H new ATOM 0 HA LEU A 60 0.646 2.850 -8.783 1.00 72.43 H new ATOM 0 HB2 LEU A 60 3.335 2.217 -10.030 1.00 74.11 H new ATOM 0 HB3 LEU A 60 2.761 3.858 -9.810 1.00 74.11 H new ATOM 0 HG LEU A 60 3.254 1.827 -7.612 1.00 5.20 H new ATOM 0 HD11 LEU A 60 5.065 3.362 -6.963 1.00 42.51 H new ATOM 0 HD12 LEU A 60 5.302 2.722 -8.606 1.00 42.51 H new ATOM 0 HD13 LEU A 60 4.703 4.381 -8.376 1.00 42.51 H new ATOM 0 HD21 LEU A 60 2.786 3.681 -6.063 1.00 73.23 H new ATOM 0 HD22 LEU A 60 2.339 4.715 -7.441 1.00 73.23 H new ATOM 0 HD23 LEU A 60 1.366 3.276 -7.055 1.00 73.23 H new ATOM 994 N LYS A 61 1.039 1.889 -11.892 1.00 2.40 N ATOM 995 CA LYS A 61 0.523 2.039 -13.233 1.00 12.50 C ATOM 996 C LYS A 61 -0.993 1.840 -13.241 1.00 51.12 C ATOM 997 O LYS A 61 -1.727 2.580 -13.895 1.00 24.24 O ATOM 998 CB LYS A 61 1.231 1.010 -14.107 1.00 45.55 C ATOM 999 CG LYS A 61 0.610 0.767 -15.463 1.00 42.54 C ATOM 1000 CD LYS A 61 1.389 -0.303 -16.198 1.00 61.25 C ATOM 1001 CE LYS A 61 1.536 -1.562 -15.356 1.00 1.25 C ATOM 1002 NZ LYS A 61 2.611 -2.451 -15.860 1.00 1.03 N ATOM 0 H LYS A 61 1.665 1.092 -11.772 1.00 2.40 H new ATOM 0 HA LYS A 61 0.710 3.041 -13.619 1.00 12.50 H new ATOM 0 HB2 LYS A 61 2.262 1.331 -14.252 1.00 45.55 H new ATOM 0 HB3 LYS A 61 1.265 0.063 -13.568 1.00 45.55 H new ATOM 0 HG2 LYS A 61 -0.429 0.459 -15.348 1.00 42.54 H new ATOM 0 HG3 LYS A 61 0.606 1.690 -16.042 1.00 42.54 H new ATOM 0 HD2 LYS A 61 0.883 -0.546 -17.133 1.00 61.25 H new ATOM 0 HD3 LYS A 61 2.376 0.079 -16.460 1.00 61.25 H new ATOM 0 HE2 LYS A 61 1.751 -1.284 -14.324 1.00 1.25 H new ATOM 0 HE3 LYS A 61 0.591 -2.105 -15.350 1.00 1.25 H new ATOM 0 HZ1 LYS A 61 2.744 -3.244 -15.200 1.00 1.03 H new ATOM 0 HZ2 LYS A 61 2.346 -2.820 -16.796 1.00 1.03 H new ATOM 0 HZ3 LYS A 61 3.498 -1.913 -15.938 1.00 1.03 H new ATOM 1016 N ALA A 62 -1.452 0.854 -12.479 1.00 23.22 N ATOM 1017 CA ALA A 62 -2.873 0.551 -12.380 1.00 32.32 C ATOM 1018 C ALA A 62 -3.639 1.674 -11.682 1.00 41.03 C ATOM 1019 O ALA A 62 -4.679 2.114 -12.171 1.00 73.51 O ATOM 1020 CB ALA A 62 -3.086 -0.766 -11.649 1.00 54.01 C ATOM 0 H ALA A 62 -0.855 0.247 -11.917 1.00 23.22 H new ATOM 0 HA ALA A 62 -3.263 0.461 -13.394 1.00 32.32 H new ATOM 0 HB1 ALA A 62 -4.153 -0.977 -11.584 1.00 54.01 H new ATOM 0 HB2 ALA A 62 -2.590 -1.569 -12.194 1.00 54.01 H new ATOM 0 HB3 ALA A 62 -2.668 -0.697 -10.645 1.00 54.01 H new ATOM 1026 N VAL A 63 -3.120 2.140 -10.551 1.00 53.13 N ATOM 1027 CA VAL A 63 -3.783 3.186 -9.774 1.00 53.01 C ATOM 1028 C VAL A 63 -3.771 4.522 -10.519 1.00 3.24 C ATOM 1029 O VAL A 63 -4.657 5.360 -10.335 1.00 25.43 O ATOM 1030 CB VAL A 63 -3.147 3.362 -8.369 1.00 74.52 C ATOM 1031 CG1 VAL A 63 -3.234 2.074 -7.567 1.00 50.34 C ATOM 1032 CG2 VAL A 63 -1.709 3.827 -8.464 1.00 71.14 C ATOM 0 H VAL A 63 -2.242 1.811 -10.150 1.00 53.13 H new ATOM 0 HA VAL A 63 -4.816 2.864 -9.640 1.00 53.01 H new ATOM 0 HB VAL A 63 -3.716 4.133 -7.850 1.00 74.52 H new ATOM 0 HG11 VAL A 63 -2.781 2.224 -6.587 1.00 50.34 H new ATOM 0 HG12 VAL A 63 -4.280 1.792 -7.444 1.00 50.34 H new ATOM 0 HG13 VAL A 63 -2.703 1.281 -8.094 1.00 50.34 H new ATOM 0 HG21 VAL A 63 -1.296 3.939 -7.462 1.00 71.14 H new ATOM 0 HG22 VAL A 63 -1.125 3.092 -9.017 1.00 71.14 H new ATOM 0 HG23 VAL A 63 -1.670 4.785 -8.982 1.00 71.14 H new ATOM 1042 N MET A 64 -2.775 4.710 -11.373 1.00 63.44 N ATOM 1043 CA MET A 64 -2.675 5.920 -12.172 1.00 72.31 C ATOM 1044 C MET A 64 -3.729 5.928 -13.276 1.00 2.45 C ATOM 1045 O MET A 64 -4.445 6.912 -13.461 1.00 62.11 O ATOM 1046 CB MET A 64 -1.277 6.038 -12.779 1.00 64.44 C ATOM 1047 CG MET A 64 -1.096 7.254 -13.673 1.00 63.13 C ATOM 1048 SD MET A 64 0.564 7.368 -14.371 1.00 71.25 S ATOM 1049 CE MET A 64 1.555 7.526 -12.885 1.00 34.33 C ATOM 0 H MET A 64 -2.024 4.038 -11.530 1.00 63.44 H new ATOM 0 HA MET A 64 -2.852 6.776 -11.521 1.00 72.31 H new ATOM 0 HB2 MET A 64 -0.544 6.079 -11.974 1.00 64.44 H new ATOM 0 HB3 MET A 64 -1.065 5.139 -13.358 1.00 64.44 H new ATOM 0 HG2 MET A 64 -1.824 7.215 -14.483 1.00 63.13 H new ATOM 0 HG3 MET A 64 -1.306 8.156 -13.099 1.00 63.13 H new ATOM 0 HE1 MET A 64 2.350 8.252 -13.053 1.00 34.33 H new ATOM 0 HE2 MET A 64 0.925 7.862 -12.062 1.00 34.33 H new ATOM 0 HE3 MET A 64 1.993 6.560 -12.635 1.00 34.33 H new ATOM 1059 N LYS A 65 -3.830 4.816 -13.991 1.00 20.41 N ATOM 1060 CA LYS A 65 -4.730 4.711 -15.135 1.00 23.45 C ATOM 1061 C LYS A 65 -6.191 4.653 -14.701 1.00 44.04 C ATOM 1062 O LYS A 65 -7.067 5.188 -15.375 1.00 32.41 O ATOM 1063 CB LYS A 65 -4.372 3.480 -15.970 1.00 13.05 C ATOM 1064 CG LYS A 65 -4.572 2.157 -15.254 1.00 73.12 C ATOM 1065 CD LYS A 65 -3.873 1.019 -15.977 1.00 13.33 C ATOM 1066 CE LYS A 65 -4.461 0.770 -17.355 1.00 10.25 C ATOM 1067 NZ LYS A 65 -3.740 -0.319 -18.066 1.00 22.22 N ATOM 0 H LYS A 65 -3.297 3.968 -13.799 1.00 20.41 H new ATOM 0 HA LYS A 65 -4.605 5.607 -15.743 1.00 23.45 H new ATOM 0 HB2 LYS A 65 -4.976 3.483 -16.877 1.00 13.05 H new ATOM 0 HB3 LYS A 65 -3.330 3.557 -16.281 1.00 13.05 H new ATOM 0 HG2 LYS A 65 -4.189 2.232 -14.236 1.00 73.12 H new ATOM 0 HG3 LYS A 65 -5.638 1.941 -15.179 1.00 73.12 H new ATOM 0 HD2 LYS A 65 -2.812 1.248 -16.072 1.00 13.33 H new ATOM 0 HD3 LYS A 65 -3.950 0.110 -15.381 1.00 13.33 H new ATOM 0 HE2 LYS A 65 -5.515 0.509 -17.260 1.00 10.25 H new ATOM 0 HE3 LYS A 65 -4.411 1.686 -17.944 1.00 10.25 H new ATOM 0 HZ1 LYS A 65 -4.167 -0.463 -19.003 1.00 22.22 H new ATOM 0 HZ2 LYS A 65 -2.739 -0.058 -18.177 1.00 22.22 H new ATOM 0 HZ3 LYS A 65 -3.809 -1.198 -17.515 1.00 22.22 H new ATOM 1081 N ARG A 66 -6.445 4.004 -13.573 1.00 32.21 N ATOM 1082 CA ARG A 66 -7.812 3.870 -13.061 1.00 32.30 C ATOM 1083 C ARG A 66 -8.372 5.209 -12.578 1.00 44.31 C ATOM 1084 O ARG A 66 -9.589 5.375 -12.474 1.00 63.34 O ATOM 1085 CB ARG A 66 -7.882 2.842 -11.927 1.00 62.35 C ATOM 1086 CG ARG A 66 -7.109 3.238 -10.679 1.00 72.35 C ATOM 1087 CD ARG A 66 -7.286 2.222 -9.559 1.00 15.14 C ATOM 1088 NE ARG A 66 -7.016 0.853 -10.004 1.00 42.05 N ATOM 1089 CZ ARG A 66 -6.503 -0.104 -9.232 1.00 75.24 C ATOM 1090 NH1 ARG A 66 -6.091 0.168 -7.997 1.00 20.42 N ATOM 1091 NH2 ARG A 66 -6.390 -1.338 -9.709 1.00 72.25 N ATOM 0 H ARG A 66 -5.731 3.563 -12.994 1.00 32.21 H new ATOM 0 HA ARG A 66 -8.425 3.522 -13.892 1.00 32.30 H new ATOM 0 HB2 ARG A 66 -8.927 2.684 -11.659 1.00 62.35 H new ATOM 0 HB3 ARG A 66 -7.499 1.889 -12.291 1.00 62.35 H new ATOM 0 HG2 ARG A 66 -6.050 3.331 -10.921 1.00 72.35 H new ATOM 0 HG3 ARG A 66 -7.446 4.217 -10.338 1.00 72.35 H new ATOM 0 HD2 ARG A 66 -6.618 2.472 -8.735 1.00 15.14 H new ATOM 0 HD3 ARG A 66 -8.304 2.283 -9.174 1.00 15.14 H new ATOM 0 HE ARG A 66 -7.236 0.616 -10.971 1.00 42.05 H new ATOM 0 HH11 ARG A 66 -6.166 1.117 -7.632 1.00 20.42 H new ATOM 0 HH12 ARG A 66 -5.700 -0.573 -7.415 1.00 20.42 H new ATOM 0 HH21 ARG A 66 -6.695 -1.547 -10.660 1.00 72.25 H new ATOM 0 HH22 ARG A 66 -5.998 -2.077 -9.125 1.00 72.25 H new ATOM 1105 N GLY A 67 -7.492 6.157 -12.288 1.00 51.03 N ATOM 1106 CA GLY A 67 -7.940 7.441 -11.790 1.00 72.51 C ATOM 1107 C GLY A 67 -7.076 8.590 -12.262 1.00 64.54 C ATOM 1108 O GLY A 67 -7.354 9.205 -13.292 1.00 32.21 O ATOM 0 H GLY A 67 -6.481 6.061 -12.388 1.00 51.03 H new ATOM 0 HA2 GLY A 67 -8.968 7.611 -12.110 1.00 72.51 H new ATOM 0 HA3 GLY A 67 -7.945 7.421 -10.700 1.00 72.51 H new ATOM 1112 N ALA A 68 -6.022 8.871 -11.511 1.00 30.54 N ATOM 1113 CA ALA A 68 -5.147 9.996 -11.800 1.00 23.51 C ATOM 1114 C ALA A 68 -3.758 9.751 -11.220 1.00 41.42 C ATOM 1115 O ALA A 68 -3.609 8.973 -10.279 1.00 43.04 O ATOM 1116 CB ALA A 68 -5.744 11.278 -11.231 1.00 33.21 C ATOM 0 H ALA A 68 -5.751 8.330 -10.690 1.00 30.54 H new ATOM 0 HA ALA A 68 -5.053 10.102 -12.881 1.00 23.51 H new ATOM 0 HB1 ALA A 68 -5.083 12.116 -11.451 1.00 33.21 H new ATOM 0 HB2 ALA A 68 -6.720 11.457 -11.683 1.00 33.21 H new ATOM 0 HB3 ALA A 68 -5.857 11.179 -10.151 1.00 33.21 H new ATOM 1122 N PRO A 69 -2.722 10.410 -11.773 1.00 63.13 N ATOM 1123 CA PRO A 69 -1.343 10.280 -11.285 1.00 50.22 C ATOM 1124 C PRO A 69 -1.208 10.632 -9.803 1.00 2.14 C ATOM 1125 O PRO A 69 -0.387 10.051 -9.091 1.00 3.11 O ATOM 1126 CB PRO A 69 -0.546 11.269 -12.150 1.00 51.12 C ATOM 1127 CG PRO A 69 -1.565 12.149 -12.794 1.00 65.00 C ATOM 1128 CD PRO A 69 -2.804 11.313 -12.931 1.00 32.25 C ATOM 0 HA PRO A 69 -0.988 9.252 -11.364 1.00 50.22 H new ATOM 0 HB2 PRO A 69 0.147 11.851 -11.543 1.00 51.12 H new ATOM 0 HB3 PRO A 69 0.049 10.745 -12.898 1.00 51.12 H new ATOM 0 HG2 PRO A 69 -1.756 13.034 -12.187 1.00 65.00 H new ATOM 0 HG3 PRO A 69 -1.220 12.498 -13.767 1.00 65.00 H new ATOM 0 HD2 PRO A 69 -3.707 11.922 -12.905 1.00 32.25 H new ATOM 0 HD3 PRO A 69 -2.818 10.763 -13.872 1.00 32.25 H new ATOM 1136 N SER A 70 -2.034 11.567 -9.339 1.00 15.42 N ATOM 1137 CA SER A 70 -2.014 11.986 -7.941 1.00 71.23 C ATOM 1138 C SER A 70 -2.380 10.826 -7.016 1.00 33.34 C ATOM 1139 O SER A 70 -1.916 10.757 -5.879 1.00 23.22 O ATOM 1140 CB SER A 70 -2.974 13.156 -7.725 1.00 63.40 C ATOM 1141 OG SER A 70 -2.640 14.253 -8.563 1.00 44.11 O ATOM 0 H SER A 70 -2.726 12.049 -9.912 1.00 15.42 H new ATOM 0 HA SER A 70 -1.002 12.309 -7.698 1.00 71.23 H new ATOM 0 HB2 SER A 70 -3.995 12.835 -7.931 1.00 63.40 H new ATOM 0 HB3 SER A 70 -2.942 13.469 -6.681 1.00 63.40 H new ATOM 0 HG SER A 70 -3.270 14.987 -8.407 1.00 44.11 H new ATOM 1147 N ILE A 71 -3.197 9.903 -7.515 1.00 15.42 N ATOM 1148 CA ILE A 71 -3.588 8.742 -6.730 1.00 22.05 C ATOM 1149 C ILE A 71 -2.377 7.858 -6.472 1.00 75.13 C ATOM 1150 O ILE A 71 -2.146 7.426 -5.345 1.00 64.12 O ATOM 1151 CB ILE A 71 -4.693 7.925 -7.432 1.00 12.01 C ATOM 1152 CG1 ILE A 71 -5.943 8.788 -7.621 1.00 73.53 C ATOM 1153 CG2 ILE A 71 -5.021 6.669 -6.631 1.00 53.41 C ATOM 1154 CD1 ILE A 71 -7.077 8.072 -8.323 1.00 35.42 C ATOM 0 H ILE A 71 -3.597 9.938 -8.453 1.00 15.42 H new ATOM 0 HA ILE A 71 -3.989 9.101 -5.782 1.00 22.05 H new ATOM 0 HB ILE A 71 -4.332 7.616 -8.413 1.00 12.01 H new ATOM 0 HG12 ILE A 71 -6.289 9.129 -6.645 1.00 73.53 H new ATOM 0 HG13 ILE A 71 -5.677 9.677 -8.193 1.00 73.53 H new ATOM 0 HG21 ILE A 71 -5.802 6.106 -7.141 1.00 53.41 H new ATOM 0 HG22 ILE A 71 -4.128 6.051 -6.541 1.00 53.41 H new ATOM 0 HG23 ILE A 71 -5.368 6.952 -5.637 1.00 53.41 H new ATOM 0 HD11 ILE A 71 -7.928 8.746 -8.421 1.00 35.42 H new ATOM 0 HD12 ILE A 71 -6.750 7.755 -9.313 1.00 35.42 H new ATOM 0 HD13 ILE A 71 -7.371 7.199 -7.741 1.00 35.42 H new ATOM 1166 N ALA A 72 -1.591 7.625 -7.522 1.00 62.31 N ATOM 1167 CA ALA A 72 -0.364 6.839 -7.410 1.00 43.21 C ATOM 1168 C ALA A 72 0.574 7.457 -6.380 1.00 55.52 C ATOM 1169 O ALA A 72 1.186 6.753 -5.575 1.00 40.55 O ATOM 1170 CB ALA A 72 0.328 6.742 -8.761 1.00 34.40 C ATOM 0 H ALA A 72 -1.783 7.971 -8.462 1.00 62.31 H new ATOM 0 HA ALA A 72 -0.628 5.834 -7.080 1.00 43.21 H new ATOM 0 HB1 ALA A 72 1.240 6.154 -8.661 1.00 34.40 H new ATOM 0 HB2 ALA A 72 -0.338 6.260 -9.477 1.00 34.40 H new ATOM 0 HB3 ALA A 72 0.578 7.742 -9.114 1.00 34.40 H new ATOM 1176 N ASN A 73 0.668 8.782 -6.412 1.00 1.24 N ATOM 1177 CA ASN A 73 1.476 9.525 -5.452 1.00 35.40 C ATOM 1178 C ASN A 73 0.971 9.289 -4.037 1.00 51.32 C ATOM 1179 O ASN A 73 1.732 8.918 -3.144 1.00 14.52 O ATOM 1180 CB ASN A 73 1.430 11.028 -5.751 1.00 72.41 C ATOM 1181 CG ASN A 73 1.975 11.385 -7.116 1.00 4.53 C ATOM 1182 OD1 ASN A 73 2.842 10.698 -7.660 1.00 11.11 O ATOM 1183 ND2 ASN A 73 1.485 12.481 -7.668 1.00 15.33 N ATOM 0 H ASN A 73 0.191 9.367 -7.098 1.00 1.24 H new ATOM 0 HA ASN A 73 2.503 9.171 -5.538 1.00 35.40 H new ATOM 0 HB2 ASN A 73 0.399 11.374 -5.677 1.00 72.41 H new ATOM 0 HB3 ASN A 73 2.000 11.560 -4.990 1.00 72.41 H new ATOM 0 HD21 ASN A 73 1.824 12.788 -8.580 1.00 15.33 H new ATOM 0 HD22 ASN A 73 0.768 13.020 -7.182 1.00 15.33 H new ATOM 1190 N ASP A 74 -0.324 9.505 -3.849 1.00 33.23 N ATOM 1191 CA ASP A 74 -0.954 9.348 -2.541 1.00 21.33 C ATOM 1192 C ASP A 74 -0.804 7.914 -2.029 1.00 10.53 C ATOM 1193 O ASP A 74 -0.647 7.692 -0.828 1.00 50.43 O ATOM 1194 CB ASP A 74 -2.432 9.740 -2.615 1.00 62.12 C ATOM 1195 CG ASP A 74 -3.076 9.871 -1.245 1.00 71.13 C ATOM 1196 OD1 ASP A 74 -2.926 10.939 -0.612 1.00 11.13 O ATOM 1197 OD2 ASP A 74 -3.759 8.925 -0.809 1.00 34.22 O ATOM 0 H ASP A 74 -0.964 9.791 -4.590 1.00 33.23 H new ATOM 0 HA ASP A 74 -0.450 10.011 -1.837 1.00 21.33 H new ATOM 0 HB2 ASP A 74 -2.526 10.686 -3.147 1.00 62.12 H new ATOM 0 HB3 ASP A 74 -2.973 8.993 -3.196 1.00 62.12 H new ATOM 1202 N THR A 75 -0.843 6.944 -2.942 1.00 31.31 N ATOM 1203 CA THR A 75 -0.621 5.548 -2.579 1.00 52.42 C ATOM 1204 C THR A 75 0.793 5.355 -2.019 1.00 41.21 C ATOM 1205 O THR A 75 0.961 4.841 -0.915 1.00 71.45 O ATOM 1206 CB THR A 75 -0.842 4.606 -3.785 1.00 34.24 C ATOM 1207 OG1 THR A 75 -2.160 4.797 -4.322 1.00 21.22 O ATOM 1208 CG2 THR A 75 -0.671 3.148 -3.382 1.00 41.40 C ATOM 0 H THR A 75 -1.025 7.100 -3.933 1.00 31.31 H new ATOM 0 HA THR A 75 -1.349 5.291 -1.809 1.00 52.42 H new ATOM 0 HB THR A 75 -0.095 4.849 -4.541 1.00 34.24 H new ATOM 0 HG1 THR A 75 -2.232 5.699 -4.698 1.00 21.22 H new ATOM 0 HG21 THR A 75 -0.832 2.509 -4.250 1.00 41.40 H new ATOM 0 HG22 THR A 75 0.338 2.992 -2.999 1.00 41.40 H new ATOM 0 HG23 THR A 75 -1.396 2.897 -2.607 1.00 41.40 H new ATOM 1216 N LEU A 76 1.800 5.801 -2.772 1.00 22.23 N ATOM 1217 CA LEU A 76 3.197 5.716 -2.331 1.00 33.31 C ATOM 1218 C LEU A 76 3.387 6.430 -1.000 1.00 45.51 C ATOM 1219 O LEU A 76 4.063 5.932 -0.100 1.00 61.24 O ATOM 1220 CB LEU A 76 4.124 6.341 -3.374 1.00 41.34 C ATOM 1221 CG LEU A 76 4.242 5.573 -4.686 1.00 15.14 C ATOM 1222 CD1 LEU A 76 5.015 6.392 -5.705 1.00 23.34 C ATOM 1223 CD2 LEU A 76 4.922 4.232 -4.451 1.00 73.10 C ATOM 0 H LEU A 76 1.676 6.225 -3.691 1.00 22.23 H new ATOM 0 HA LEU A 76 3.446 4.662 -2.209 1.00 33.31 H new ATOM 0 HB2 LEU A 76 3.770 7.349 -3.593 1.00 41.34 H new ATOM 0 HB3 LEU A 76 5.119 6.440 -2.939 1.00 41.34 H new ATOM 0 HG LEU A 76 3.242 5.389 -5.078 1.00 15.14 H new ATOM 0 HD11 LEU A 76 5.093 5.833 -6.638 1.00 23.34 H new ATOM 0 HD12 LEU A 76 4.494 7.332 -5.887 1.00 23.34 H new ATOM 0 HD13 LEU A 76 6.014 6.600 -5.322 1.00 23.34 H new ATOM 0 HD21 LEU A 76 5.000 3.693 -5.395 1.00 73.10 H new ATOM 0 HD22 LEU A 76 5.919 4.396 -4.043 1.00 73.10 H new ATOM 0 HD23 LEU A 76 4.334 3.645 -3.746 1.00 73.10 H new ATOM 1235 N ARG A 77 2.771 7.599 -0.905 1.00 5.20 N ATOM 1236 CA ARG A 77 2.813 8.434 0.288 1.00 65.24 C ATOM 1237 C ARG A 77 2.430 7.626 1.530 1.00 13.31 C ATOM 1238 O ARG A 77 3.059 7.742 2.583 1.00 61.23 O ATOM 1239 CB ARG A 77 1.835 9.592 0.087 1.00 72.45 C ATOM 1240 CG ARG A 77 2.114 10.830 0.916 1.00 24.33 C ATOM 1241 CD ARG A 77 1.065 11.890 0.626 1.00 32.20 C ATOM 1242 NE ARG A 77 1.412 13.201 1.168 1.00 15.31 N ATOM 1243 CZ ARG A 77 0.518 14.044 1.682 1.00 5.32 C ATOM 1244 NH1 ARG A 77 -0.746 13.669 1.828 1.00 1.33 N ATOM 1245 NH2 ARG A 77 0.889 15.264 2.048 1.00 32.34 N ATOM 0 H ARG A 77 2.220 8.000 -1.664 1.00 5.20 H new ATOM 0 HA ARG A 77 3.824 8.812 0.441 1.00 65.24 H new ATOM 0 HB2 ARG A 77 1.841 9.872 -0.966 1.00 72.45 H new ATOM 0 HB3 ARG A 77 0.829 9.240 0.317 1.00 72.45 H new ATOM 0 HG2 ARG A 77 2.106 10.578 1.976 1.00 24.33 H new ATOM 0 HG3 ARG A 77 3.107 11.216 0.687 1.00 24.33 H new ATOM 0 HD2 ARG A 77 0.929 11.973 -0.452 1.00 32.20 H new ATOM 0 HD3 ARG A 77 0.110 11.572 1.044 1.00 32.20 H new ATOM 0 HE ARG A 77 2.391 13.486 1.152 1.00 15.31 H new ATOM 0 HH11 ARG A 77 -1.036 12.733 1.546 1.00 1.33 H new ATOM 0 HH12 ARG A 77 -1.428 14.317 2.222 1.00 1.33 H new ATOM 0 HH21 ARG A 77 1.860 15.557 1.936 1.00 32.34 H new ATOM 0 HH22 ARG A 77 0.204 15.909 2.442 1.00 32.34 H new ATOM 1259 N TRP A 78 1.388 6.816 1.390 1.00 50.51 N ATOM 1260 CA TRP A 78 0.902 5.964 2.470 1.00 2.23 C ATOM 1261 C TRP A 78 1.799 4.734 2.658 1.00 22.23 C ATOM 1262 O TRP A 78 2.134 4.364 3.787 1.00 44.42 O ATOM 1263 CB TRP A 78 -0.535 5.535 2.155 1.00 14.12 C ATOM 1264 CG TRP A 78 -1.228 4.807 3.265 1.00 34.21 C ATOM 1265 CD1 TRP A 78 -1.480 3.468 3.333 1.00 54.21 C ATOM 1266 CD2 TRP A 78 -1.773 5.383 4.457 1.00 42.20 C ATOM 1267 NE1 TRP A 78 -2.153 3.175 4.494 1.00 43.30 N ATOM 1268 CE2 TRP A 78 -2.344 4.333 5.201 1.00 41.21 C ATOM 1269 CE3 TRP A 78 -1.833 6.682 4.971 1.00 74.20 C ATOM 1270 CZ2 TRP A 78 -2.967 4.543 6.427 1.00 0.11 C ATOM 1271 CZ3 TRP A 78 -2.454 6.888 6.188 1.00 61.20 C ATOM 1272 CH2 TRP A 78 -3.015 5.823 6.904 1.00 54.42 C ATOM 0 H TRP A 78 0.855 6.731 0.524 1.00 50.51 H new ATOM 0 HA TRP A 78 0.924 6.528 3.403 1.00 2.23 H new ATOM 0 HB2 TRP A 78 -1.117 6.421 1.901 1.00 14.12 H new ATOM 0 HB3 TRP A 78 -0.524 4.897 1.271 1.00 14.12 H new ATOM 0 HD1 TRP A 78 -1.193 2.745 2.584 1.00 54.21 H new ATOM 0 HE1 TRP A 78 -2.461 2.246 4.783 1.00 43.30 H new ATOM 0 HE3 TRP A 78 -1.402 7.509 4.427 1.00 74.20 H new ATOM 0 HZ2 TRP A 78 -3.398 3.723 6.983 1.00 0.11 H new ATOM 0 HZ3 TRP A 78 -2.508 7.887 6.594 1.00 61.20 H new ATOM 0 HH2 TRP A 78 -3.495 6.017 7.852 1.00 54.42 H new ATOM 1283 N LEU A 79 2.195 4.121 1.540 1.00 5.31 N ATOM 1284 CA LEU A 79 2.957 2.866 1.549 1.00 14.42 C ATOM 1285 C LEU A 79 4.235 2.968 2.376 1.00 41.33 C ATOM 1286 O LEU A 79 4.542 2.066 3.154 1.00 13.51 O ATOM 1287 CB LEU A 79 3.321 2.441 0.122 1.00 44.44 C ATOM 1288 CG LEU A 79 2.146 2.139 -0.808 1.00 52.44 C ATOM 1289 CD1 LEU A 79 2.649 1.737 -2.185 1.00 15.51 C ATOM 1290 CD2 LEU A 79 1.267 1.046 -0.225 1.00 51.21 C ATOM 0 H LEU A 79 1.998 4.478 0.605 1.00 5.31 H new ATOM 0 HA LEU A 79 2.311 2.118 2.008 1.00 14.42 H new ATOM 0 HB2 LEU A 79 3.922 3.231 -0.329 1.00 44.44 H new ATOM 0 HB3 LEU A 79 3.951 1.554 0.178 1.00 44.44 H new ATOM 0 HG LEU A 79 1.547 3.044 -0.907 1.00 52.44 H new ATOM 0 HD11 LEU A 79 1.800 1.525 -2.835 1.00 15.51 H new ATOM 0 HD12 LEU A 79 3.237 2.551 -2.609 1.00 15.51 H new ATOM 0 HD13 LEU A 79 3.271 0.846 -2.099 1.00 15.51 H new ATOM 0 HD21 LEU A 79 0.437 0.847 -0.903 1.00 51.21 H new ATOM 0 HD22 LEU A 79 1.855 0.137 -0.094 1.00 51.21 H new ATOM 0 HD23 LEU A 79 0.878 1.369 0.741 1.00 51.21 H new ATOM 1302 N LYS A 80 4.977 4.058 2.197 1.00 70.33 N ATOM 1303 CA LYS A 80 6.258 4.243 2.881 1.00 12.05 C ATOM 1304 C LYS A 80 6.110 4.055 4.387 1.00 11.45 C ATOM 1305 O LYS A 80 6.783 3.218 4.993 1.00 4.25 O ATOM 1306 CB LYS A 80 6.805 5.636 2.587 1.00 12.31 C ATOM 1307 CG LYS A 80 6.883 5.959 1.106 1.00 14.32 C ATOM 1308 CD LYS A 80 7.296 7.398 0.883 1.00 53.04 C ATOM 1309 CE LYS A 80 8.747 7.622 1.268 1.00 72.14 C ATOM 1310 NZ LYS A 80 9.607 7.880 0.076 1.00 12.01 N ATOM 0 H LYS A 80 4.714 4.829 1.583 1.00 70.33 H new ATOM 0 HA LYS A 80 6.954 3.490 2.510 1.00 12.05 H new ATOM 0 HB2 LYS A 80 6.174 6.376 3.079 1.00 12.31 H new ATOM 0 HB3 LYS A 80 7.800 5.726 3.023 1.00 12.31 H new ATOM 0 HG2 LYS A 80 7.598 5.293 0.623 1.00 14.32 H new ATOM 0 HG3 LYS A 80 5.914 5.779 0.640 1.00 14.32 H new ATOM 0 HD2 LYS A 80 7.151 7.662 -0.165 1.00 53.04 H new ATOM 0 HD3 LYS A 80 6.656 8.057 1.470 1.00 53.04 H new ATOM 0 HE2 LYS A 80 8.814 8.467 1.953 1.00 72.14 H new ATOM 0 HE3 LYS A 80 9.120 6.748 1.802 1.00 72.14 H new ATOM 0 HZ1 LYS A 80 10.529 7.417 0.206 1.00 12.01 H new ATOM 0 HZ2 LYS A 80 9.145 7.499 -0.774 1.00 12.01 H new ATOM 0 HZ3 LYS A 80 9.747 8.904 -0.036 1.00 12.01 H new ATOM 1324 N ARG A 81 5.221 4.838 4.982 1.00 32.31 N ATOM 1325 CA ARG A 81 4.932 4.729 6.413 1.00 63.34 C ATOM 1326 C ARG A 81 4.447 3.334 6.795 1.00 60.45 C ATOM 1327 O ARG A 81 4.800 2.819 7.857 1.00 11.01 O ATOM 1328 CB ARG A 81 3.890 5.757 6.838 1.00 1.54 C ATOM 1329 CG ARG A 81 4.490 7.027 7.409 1.00 44.42 C ATOM 1330 CD ARG A 81 3.414 8.027 7.780 1.00 41.44 C ATOM 1331 NE ARG A 81 3.921 9.053 8.694 1.00 11.52 N ATOM 1332 CZ ARG A 81 4.132 10.326 8.361 1.00 4.04 C ATOM 1333 NH1 ARG A 81 3.920 10.739 7.116 1.00 1.11 N ATOM 1334 NH2 ARG A 81 4.568 11.183 9.279 1.00 61.42 N ATOM 0 H ARG A 81 4.684 5.558 4.499 1.00 32.31 H new ATOM 0 HA ARG A 81 5.869 4.922 6.935 1.00 63.34 H new ATOM 0 HB2 ARG A 81 3.271 6.012 5.978 1.00 1.54 H new ATOM 0 HB3 ARG A 81 3.232 5.309 7.583 1.00 1.54 H new ATOM 0 HG2 ARG A 81 5.085 6.786 8.290 1.00 44.42 H new ATOM 0 HG3 ARG A 81 5.167 7.472 6.679 1.00 44.42 H new ATOM 0 HD2 ARG A 81 3.031 8.501 6.877 1.00 41.44 H new ATOM 0 HD3 ARG A 81 2.578 7.506 8.246 1.00 41.44 H new ATOM 0 HE ARG A 81 4.127 8.773 9.653 1.00 11.52 H new ATOM 0 HH11 ARG A 81 3.594 10.080 6.409 1.00 1.11 H new ATOM 0 HH12 ARG A 81 4.083 11.715 6.868 1.00 1.11 H new ATOM 0 HH21 ARG A 81 4.739 10.865 10.233 1.00 61.42 H new ATOM 0 HH22 ARG A 81 4.731 12.158 9.029 1.00 61.42 H new ATOM 1348 N MET A 82 3.635 2.733 5.939 1.00 41.22 N ATOM 1349 CA MET A 82 3.089 1.404 6.209 1.00 12.43 C ATOM 1350 C MET A 82 4.197 0.349 6.293 1.00 61.12 C ATOM 1351 O MET A 82 4.192 -0.497 7.189 1.00 34.24 O ATOM 1352 CB MET A 82 2.072 1.011 5.136 1.00 50.51 C ATOM 1353 CG MET A 82 1.351 -0.295 5.436 1.00 43.42 C ATOM 1354 SD MET A 82 0.165 -0.757 4.157 1.00 72.43 S ATOM 1355 CE MET A 82 1.250 -1.026 2.755 1.00 54.21 C ATOM 0 H MET A 82 3.338 3.140 5.052 1.00 41.22 H new ATOM 0 HA MET A 82 2.587 1.446 7.176 1.00 12.43 H new ATOM 0 HB2 MET A 82 1.336 1.809 5.034 1.00 50.51 H new ATOM 0 HB3 MET A 82 2.582 0.924 4.177 1.00 50.51 H new ATOM 0 HG2 MET A 82 2.086 -1.092 5.547 1.00 43.42 H new ATOM 0 HG3 MET A 82 0.831 -0.206 6.390 1.00 43.42 H new ATOM 0 HE1 MET A 82 0.706 -1.550 1.969 1.00 54.21 H new ATOM 0 HE2 MET A 82 1.600 -0.066 2.376 1.00 54.21 H new ATOM 0 HE3 MET A 82 2.105 -1.626 3.066 1.00 54.21 H new ATOM 1365 N PHE A 83 5.156 0.414 5.371 1.00 71.41 N ATOM 1366 CA PHE A 83 6.261 -0.544 5.345 1.00 70.31 C ATOM 1367 C PHE A 83 7.148 -0.400 6.577 1.00 41.24 C ATOM 1368 O PHE A 83 7.818 -1.349 6.982 1.00 43.00 O ATOM 1369 CB PHE A 83 7.107 -0.382 4.077 1.00 12.21 C ATOM 1370 CG PHE A 83 6.456 -0.917 2.835 1.00 44.41 C ATOM 1371 CD1 PHE A 83 6.107 -2.255 2.740 1.00 11.35 C ATOM 1372 CD2 PHE A 83 6.196 -0.085 1.760 1.00 42.44 C ATOM 1373 CE1 PHE A 83 5.510 -2.751 1.597 1.00 20.41 C ATOM 1374 CE2 PHE A 83 5.599 -0.573 0.615 1.00 15.25 C ATOM 1375 CZ PHE A 83 5.256 -1.909 0.533 1.00 72.04 C ATOM 0 H PHE A 83 5.191 1.118 4.634 1.00 71.41 H new ATOM 0 HA PHE A 83 5.820 -1.541 5.347 1.00 70.31 H new ATOM 0 HB2 PHE A 83 7.327 0.676 3.932 1.00 12.21 H new ATOM 0 HB3 PHE A 83 8.061 -0.889 4.222 1.00 12.21 H new ATOM 0 HD1 PHE A 83 6.304 -2.918 3.570 1.00 11.35 H new ATOM 0 HD2 PHE A 83 6.464 0.960 1.818 1.00 42.44 H new ATOM 0 HE1 PHE A 83 5.243 -3.796 1.536 1.00 20.41 H new ATOM 0 HE2 PHE A 83 5.400 0.088 -0.215 1.00 15.25 H new ATOM 0 HZ PHE A 83 4.790 -2.294 -0.362 1.00 72.04 H new ATOM 1385 N ASN A 84 7.148 0.789 7.171 1.00 23.32 N ATOM 1386 CA ASN A 84 7.936 1.039 8.377 1.00 73.44 C ATOM 1387 C ASN A 84 7.481 0.123 9.512 1.00 13.13 C ATOM 1388 O ASN A 84 8.299 -0.404 10.267 1.00 54.13 O ATOM 1389 CB ASN A 84 7.804 2.502 8.812 1.00 61.20 C ATOM 1390 CG ASN A 84 8.671 2.837 10.013 1.00 52.10 C ATOM 1391 OD1 ASN A 84 9.802 2.363 10.136 1.00 25.45 O ATOM 1392 ND2 ASN A 84 8.132 3.635 10.918 1.00 21.14 N ATOM 0 H ASN A 84 6.614 1.593 6.840 1.00 23.32 H new ATOM 0 HA ASN A 84 8.981 0.830 8.148 1.00 73.44 H new ATOM 0 HB2 ASN A 84 8.077 3.150 7.980 1.00 61.20 H new ATOM 0 HB3 ASN A 84 6.762 2.713 9.051 1.00 61.20 H new ATOM 0 HD21 ASN A 84 8.656 3.881 11.758 1.00 21.14 H new ATOM 0 HD22 ASN A 84 7.192 4.005 10.776 1.00 21.14 H new ATOM 1399 N TYR A 85 6.169 -0.077 9.605 1.00 32.11 N ATOM 1400 CA TYR A 85 5.581 -0.921 10.640 1.00 11.42 C ATOM 1401 C TYR A 85 6.052 -2.364 10.470 1.00 54.04 C ATOM 1402 O TYR A 85 6.257 -3.086 11.447 1.00 35.45 O ATOM 1403 CB TYR A 85 4.051 -0.855 10.559 1.00 71.35 C ATOM 1404 CG TYR A 85 3.345 -1.201 11.853 1.00 73.15 C ATOM 1405 CD1 TYR A 85 3.135 -2.523 12.230 1.00 74.13 C ATOM 1406 CD2 TYR A 85 2.891 -0.199 12.702 1.00 71.13 C ATOM 1407 CE1 TYR A 85 2.493 -2.833 13.414 1.00 72.22 C ATOM 1408 CE2 TYR A 85 2.248 -0.502 13.884 1.00 12.33 C ATOM 1409 CZ TYR A 85 2.052 -1.817 14.236 1.00 12.11 C ATOM 1410 OH TYR A 85 1.417 -2.119 15.418 1.00 22.34 O ATOM 0 H TYR A 85 5.488 0.338 8.969 1.00 32.11 H new ATOM 0 HA TYR A 85 5.901 -0.559 11.617 1.00 11.42 H new ATOM 0 HB2 TYR A 85 3.758 0.150 10.256 1.00 71.35 H new ATOM 0 HB3 TYR A 85 3.710 -1.536 9.779 1.00 71.35 H new ATOM 0 HD1 TYR A 85 3.479 -3.320 11.587 1.00 74.13 H new ATOM 0 HD2 TYR A 85 3.044 0.835 12.432 1.00 71.13 H new ATOM 0 HE1 TYR A 85 2.338 -3.864 13.694 1.00 72.22 H new ATOM 0 HE2 TYR A 85 1.900 0.290 14.530 1.00 12.33 H new ATOM 0 HH TYR A 85 1.133 -3.057 15.406 1.00 22.34 H new ATOM 1420 N ALA A 86 6.237 -2.767 9.218 1.00 24.45 N ATOM 1421 CA ALA A 86 6.694 -4.113 8.903 1.00 53.00 C ATOM 1422 C ALA A 86 8.126 -4.324 9.372 1.00 32.15 C ATOM 1423 O ALA A 86 8.442 -5.351 9.969 1.00 75.42 O ATOM 1424 CB ALA A 86 6.585 -4.377 7.411 1.00 22.12 C ATOM 0 H ALA A 86 6.076 -2.177 8.402 1.00 24.45 H new ATOM 0 HA ALA A 86 6.053 -4.819 9.431 1.00 53.00 H new ATOM 0 HB1 ALA A 86 6.931 -5.388 7.194 1.00 22.12 H new ATOM 0 HB2 ALA A 86 5.546 -4.274 7.098 1.00 22.12 H new ATOM 0 HB3 ALA A 86 7.200 -3.659 6.869 1.00 22.12 H new ATOM 1430 N ILE A 87 8.989 -3.353 9.097 1.00 12.10 N ATOM 1431 CA ILE A 87 10.375 -3.412 9.554 1.00 13.40 C ATOM 1432 C ILE A 87 10.419 -3.430 11.074 1.00 73.11 C ATOM 1433 O ILE A 87 11.177 -4.184 11.684 1.00 33.54 O ATOM 1434 CB ILE A 87 11.203 -2.216 9.037 1.00 62.31 C ATOM 1435 CG1 ILE A 87 11.170 -2.176 7.508 1.00 35.52 C ATOM 1436 CG2 ILE A 87 12.640 -2.301 9.542 1.00 31.41 C ATOM 1437 CD1 ILE A 87 12.005 -1.067 6.911 1.00 3.41 C ATOM 0 H ILE A 87 8.756 -2.517 8.561 1.00 12.10 H new ATOM 0 HA ILE A 87 10.812 -4.327 9.153 1.00 13.40 H new ATOM 0 HB ILE A 87 10.763 -1.295 9.419 1.00 62.31 H new ATOM 0 HG12 ILE A 87 11.522 -3.132 7.121 1.00 35.52 H new ATOM 0 HG13 ILE A 87 10.138 -2.059 7.179 1.00 35.52 H new ATOM 0 HG21 ILE A 87 13.208 -1.450 9.167 1.00 31.41 H new ATOM 0 HG22 ILE A 87 12.644 -2.289 10.632 1.00 31.41 H new ATOM 0 HG23 ILE A 87 13.096 -3.226 9.188 1.00 31.41 H new ATOM 0 HD11 ILE A 87 11.933 -1.102 5.824 1.00 3.41 H new ATOM 0 HD12 ILE A 87 11.640 -0.104 7.268 1.00 3.41 H new ATOM 0 HD13 ILE A 87 13.046 -1.194 7.209 1.00 3.41 H new ATOM 1449 N LYS A 88 9.574 -2.604 11.669 1.00 33.44 N ATOM 1450 CA LYS A 88 9.431 -2.535 13.111 1.00 62.52 C ATOM 1451 C LYS A 88 9.077 -3.908 13.690 1.00 45.43 C ATOM 1452 O LYS A 88 9.649 -4.333 14.692 1.00 70.21 O ATOM 1453 CB LYS A 88 8.370 -1.473 13.445 1.00 10.20 C ATOM 1454 CG LYS A 88 7.926 -1.432 14.897 1.00 52.32 C ATOM 1455 CD LYS A 88 6.755 -2.369 15.141 1.00 1.41 C ATOM 1456 CE LYS A 88 6.189 -2.213 16.536 1.00 34.11 C ATOM 1457 NZ LYS A 88 7.184 -2.551 17.589 1.00 34.53 N ATOM 0 H LYS A 88 8.966 -1.961 11.162 1.00 33.44 H new ATOM 0 HA LYS A 88 10.376 -2.244 13.569 1.00 62.52 H new ATOM 0 HB2 LYS A 88 8.763 -0.493 13.175 1.00 10.20 H new ATOM 0 HB3 LYS A 88 7.495 -1.649 12.820 1.00 10.20 H new ATOM 0 HG2 LYS A 88 8.759 -1.711 15.543 1.00 52.32 H new ATOM 0 HG3 LYS A 88 7.642 -0.414 15.165 1.00 52.32 H new ATOM 0 HD2 LYS A 88 5.973 -2.172 14.408 1.00 1.41 H new ATOM 0 HD3 LYS A 88 7.078 -3.400 14.993 1.00 1.41 H new ATOM 0 HE2 LYS A 88 5.850 -1.187 16.676 1.00 34.11 H new ATOM 0 HE3 LYS A 88 5.315 -2.855 16.645 1.00 34.11 H new ATOM 0 HZ1 LYS A 88 6.732 -2.495 18.524 1.00 34.53 H new ATOM 0 HZ2 LYS A 88 7.540 -3.516 17.433 1.00 34.53 H new ATOM 0 HZ3 LYS A 88 7.976 -1.879 17.547 1.00 34.53 H new ATOM 1471 N ARG A 89 8.143 -4.606 13.052 1.00 14.24 N ATOM 1472 CA ARG A 89 7.749 -5.943 13.498 1.00 4.43 C ATOM 1473 C ARG A 89 8.642 -7.040 12.912 1.00 40.25 C ATOM 1474 O ARG A 89 8.265 -8.214 12.922 1.00 4.01 O ATOM 1475 CB ARG A 89 6.289 -6.230 13.151 1.00 34.21 C ATOM 1476 CG ARG A 89 5.301 -5.399 13.948 1.00 24.23 C ATOM 1477 CD ARG A 89 3.978 -6.125 14.125 1.00 54.33 C ATOM 1478 NE ARG A 89 4.152 -7.402 14.819 1.00 23.25 N ATOM 1479 CZ ARG A 89 3.193 -8.011 15.511 1.00 65.54 C ATOM 1480 NH1 ARG A 89 1.987 -7.471 15.610 1.00 32.32 N ATOM 1481 NH2 ARG A 89 3.440 -9.166 16.113 1.00 63.20 N ATOM 0 H ARG A 89 7.645 -4.272 12.227 1.00 14.24 H new ATOM 0 HA ARG A 89 7.871 -5.954 14.581 1.00 4.43 H new ATOM 0 HB2 ARG A 89 6.133 -6.044 12.088 1.00 34.21 H new ATOM 0 HB3 ARG A 89 6.084 -7.287 13.323 1.00 34.21 H new ATOM 0 HG2 ARG A 89 5.724 -5.168 14.926 1.00 24.23 H new ATOM 0 HG3 ARG A 89 5.131 -4.449 13.441 1.00 24.23 H new ATOM 0 HD2 ARG A 89 3.289 -5.495 14.688 1.00 54.33 H new ATOM 0 HD3 ARG A 89 3.525 -6.300 13.149 1.00 54.33 H new ATOM 0 HE ARG A 89 5.066 -7.853 14.769 1.00 23.25 H new ATOM 0 HH11 ARG A 89 1.788 -6.581 15.153 1.00 32.32 H new ATOM 0 HH12 ARG A 89 1.258 -7.945 16.143 1.00 32.32 H new ATOM 0 HH21 ARG A 89 4.366 -9.588 16.046 1.00 63.20 H new ATOM 0 HH22 ARG A 89 2.704 -9.632 16.643 1.00 63.20 H new ATOM 1495 N HIS A 90 9.812 -6.652 12.398 1.00 33.24 N ATOM 1496 CA HIS A 90 10.853 -7.602 11.960 1.00 62.34 C ATOM 1497 C HIS A 90 10.432 -8.392 10.721 1.00 35.13 C ATOM 1498 O HIS A 90 11.078 -9.375 10.356 1.00 21.40 O ATOM 1499 CB HIS A 90 11.209 -8.591 13.079 1.00 72.33 C ATOM 1500 CG HIS A 90 11.467 -7.958 14.409 1.00 32.42 C ATOM 1501 ND1 HIS A 90 10.843 -8.371 15.561 1.00 42.43 N ATOM 1502 CD2 HIS A 90 12.287 -6.947 14.769 1.00 71.32 C ATOM 1503 CE1 HIS A 90 11.267 -7.643 16.576 1.00 72.22 C ATOM 1504 NE2 HIS A 90 12.147 -6.770 16.123 1.00 33.12 N ATOM 0 H HIS A 90 10.070 -5.673 12.271 1.00 33.24 H new ATOM 0 HA HIS A 90 11.726 -6.999 11.709 1.00 62.34 H new ATOM 0 HB2 HIS A 90 10.395 -9.309 13.184 1.00 72.33 H new ATOM 0 HB3 HIS A 90 12.094 -9.154 12.781 1.00 72.33 H new ATOM 0 HD2 HIS A 90 12.933 -6.382 14.113 1.00 71.32 H new ATOM 0 HE1 HIS A 90 10.948 -7.744 17.603 1.00 72.22 H new ATOM 0 HE2 HIS A 90 12.641 -6.078 16.686 1.00 33.12 H new ATOM 1513 N ILE A 91 9.375 -7.946 10.062 1.00 64.22 N ATOM 1514 CA ILE A 91 8.828 -8.669 8.919 1.00 53.33 C ATOM 1515 C ILE A 91 9.761 -8.568 7.715 1.00 52.01 C ATOM 1516 O ILE A 91 9.980 -9.543 6.993 1.00 70.55 O ATOM 1517 CB ILE A 91 7.438 -8.123 8.531 1.00 34.43 C ATOM 1518 CG1 ILE A 91 6.520 -8.098 9.754 1.00 51.01 C ATOM 1519 CG2 ILE A 91 6.827 -8.969 7.422 1.00 42.12 C ATOM 1520 CD1 ILE A 91 5.196 -7.413 9.502 1.00 1.11 C ATOM 0 H ILE A 91 8.877 -7.087 10.297 1.00 64.22 H new ATOM 0 HA ILE A 91 8.731 -9.714 9.212 1.00 53.33 H new ATOM 0 HB ILE A 91 7.553 -7.104 8.162 1.00 34.43 H new ATOM 0 HG12 ILE A 91 6.334 -9.122 10.079 1.00 51.01 H new ATOM 0 HG13 ILE A 91 7.032 -7.591 10.572 1.00 51.01 H new ATOM 0 HG21 ILE A 91 5.847 -8.571 7.159 1.00 42.12 H new ATOM 0 HG22 ILE A 91 7.475 -8.944 6.546 1.00 42.12 H new ATOM 0 HG23 ILE A 91 6.721 -9.998 7.766 1.00 42.12 H new ATOM 0 HD11 ILE A 91 4.597 -7.433 10.412 1.00 1.11 H new ATOM 0 HD12 ILE A 91 5.372 -6.379 9.206 1.00 1.11 H new ATOM 0 HD13 ILE A 91 4.663 -7.933 8.706 1.00 1.11 H new ATOM 1532 N ILE A 92 10.314 -7.384 7.515 1.00 12.30 N ATOM 1533 CA ILE A 92 11.187 -7.121 6.388 1.00 64.54 C ATOM 1534 C ILE A 92 12.119 -5.959 6.728 1.00 41.34 C ATOM 1535 O ILE A 92 11.852 -5.211 7.665 1.00 41.25 O ATOM 1536 CB ILE A 92 10.350 -6.794 5.127 1.00 5.14 C ATOM 1537 CG1 ILE A 92 11.225 -6.761 3.874 1.00 43.31 C ATOM 1538 CG2 ILE A 92 9.612 -5.471 5.302 1.00 50.21 C ATOM 1539 CD1 ILE A 92 10.443 -6.525 2.601 1.00 44.04 C ATOM 0 H ILE A 92 10.170 -6.582 8.128 1.00 12.30 H new ATOM 0 HA ILE A 92 11.785 -8.008 6.180 1.00 64.54 H new ATOM 0 HB ILE A 92 9.614 -7.588 4.999 1.00 5.14 H new ATOM 0 HG12 ILE A 92 11.973 -5.976 3.983 1.00 43.31 H new ATOM 0 HG13 ILE A 92 11.764 -7.705 3.791 1.00 43.31 H new ATOM 0 HG21 ILE A 92 9.029 -5.258 4.406 1.00 50.21 H new ATOM 0 HG22 ILE A 92 8.945 -5.537 6.161 1.00 50.21 H new ATOM 0 HG23 ILE A 92 10.334 -4.670 5.464 1.00 50.21 H new ATOM 0 HD11 ILE A 92 11.126 -6.513 1.751 1.00 44.04 H new ATOM 0 HD12 ILE A 92 9.713 -7.324 2.469 1.00 44.04 H new ATOM 0 HD13 ILE A 92 9.926 -5.568 2.664 1.00 44.04 H new ATOM 1551 N GLU A 93 13.216 -5.824 5.999 1.00 21.13 N ATOM 1552 CA GLU A 93 14.145 -4.724 6.224 1.00 3.34 C ATOM 1553 C GLU A 93 14.177 -3.806 5.001 1.00 73.20 C ATOM 1554 O GLU A 93 15.006 -2.903 4.896 1.00 54.23 O ATOM 1555 CB GLU A 93 15.549 -5.272 6.526 1.00 24.11 C ATOM 1556 CG GLU A 93 16.549 -4.209 6.956 1.00 34.33 C ATOM 1557 CD GLU A 93 17.943 -4.758 7.166 1.00 71.23 C ATOM 1558 OE1 GLU A 93 18.528 -5.301 6.205 1.00 30.20 O ATOM 1559 OE2 GLU A 93 18.471 -4.634 8.289 1.00 3.43 O ATOM 0 H GLU A 93 13.486 -6.460 5.248 1.00 21.13 H new ATOM 0 HA GLU A 93 13.808 -4.144 7.083 1.00 3.34 H new ATOM 0 HB2 GLU A 93 15.473 -6.024 7.312 1.00 24.11 H new ATOM 0 HB3 GLU A 93 15.930 -5.776 5.638 1.00 24.11 H new ATOM 0 HG2 GLU A 93 16.584 -3.424 6.200 1.00 34.33 H new ATOM 0 HG3 GLU A 93 16.204 -3.746 7.881 1.00 34.33 H new ATOM 1566 N TYR A 94 13.251 -4.025 4.079 1.00 30.11 N ATOM 1567 CA TYR A 94 13.246 -3.284 2.829 1.00 30.34 C ATOM 1568 C TYR A 94 11.971 -2.469 2.683 1.00 64.52 C ATOM 1569 O TYR A 94 10.886 -2.923 3.043 1.00 25.33 O ATOM 1570 CB TYR A 94 13.391 -4.239 1.642 1.00 74.51 C ATOM 1571 CG TYR A 94 14.561 -5.189 1.769 1.00 34.13 C ATOM 1572 CD1 TYR A 94 15.867 -4.717 1.779 1.00 14.24 C ATOM 1573 CD2 TYR A 94 14.356 -6.558 1.896 1.00 41.23 C ATOM 1574 CE1 TYR A 94 16.935 -5.582 1.906 1.00 54.22 C ATOM 1575 CE2 TYR A 94 15.420 -7.428 2.026 1.00 63.12 C ATOM 1576 CZ TYR A 94 16.707 -6.935 2.032 1.00 44.33 C ATOM 1577 OH TYR A 94 17.768 -7.797 2.168 1.00 2.40 O ATOM 0 H TYR A 94 12.498 -4.706 4.173 1.00 30.11 H new ATOM 0 HA TYR A 94 14.094 -2.599 2.842 1.00 30.34 H new ATOM 0 HB2 TYR A 94 12.473 -4.818 1.538 1.00 74.51 H new ATOM 0 HB3 TYR A 94 13.505 -3.655 0.729 1.00 74.51 H new ATOM 0 HD1 TYR A 94 16.050 -3.657 1.686 1.00 14.24 H new ATOM 0 HD2 TYR A 94 13.349 -6.947 1.893 1.00 41.23 H new ATOM 0 HE1 TYR A 94 17.945 -5.200 1.907 1.00 54.22 H new ATOM 0 HE2 TYR A 94 15.245 -8.489 2.122 1.00 63.12 H new ATOM 0 HH TYR A 94 17.435 -8.715 2.247 1.00 2.40 H new ATOM 1587 N ASN A 95 12.113 -1.260 2.165 1.00 43.34 N ATOM 1588 CA ASN A 95 10.974 -0.401 1.878 1.00 70.55 C ATOM 1589 C ASN A 95 10.820 -0.243 0.369 1.00 53.13 C ATOM 1590 O ASN A 95 11.390 0.671 -0.221 1.00 32.50 O ATOM 1591 CB ASN A 95 11.141 0.982 2.516 1.00 25.30 C ATOM 1592 CG ASN A 95 11.326 0.937 4.017 1.00 52.32 C ATOM 1593 OD1 ASN A 95 12.450 0.850 4.509 1.00 62.31 O ATOM 1594 ND2 ASN A 95 10.230 1.020 4.758 1.00 44.03 N ATOM 0 H ASN A 95 13.016 -0.847 1.932 1.00 43.34 H new ATOM 0 HA ASN A 95 10.085 -0.869 2.301 1.00 70.55 H new ATOM 0 HB2 ASN A 95 12.001 1.479 2.067 1.00 25.30 H new ATOM 0 HB3 ASN A 95 10.265 1.588 2.284 1.00 25.30 H new ATOM 0 HD21 ASN A 95 10.301 1.013 5.776 1.00 44.03 H new ATOM 0 HD22 ASN A 95 9.316 1.091 4.311 1.00 44.03 H new ATOM 1601 N PRO A 96 10.084 -1.152 -0.282 1.00 21.24 N ATOM 1602 CA PRO A 96 9.939 -1.163 -1.746 1.00 72.31 C ATOM 1603 C PRO A 96 9.401 0.157 -2.304 1.00 12.42 C ATOM 1604 O PRO A 96 9.666 0.505 -3.452 1.00 42.41 O ATOM 1605 CB PRO A 96 8.942 -2.298 -2.000 1.00 0.30 C ATOM 1606 CG PRO A 96 9.047 -3.168 -0.798 1.00 4.00 C ATOM 1607 CD PRO A 96 9.326 -2.245 0.350 1.00 64.42 C ATOM 0 HA PRO A 96 10.901 -1.300 -2.241 1.00 72.31 H new ATOM 0 HB2 PRO A 96 7.929 -1.915 -2.125 1.00 0.30 H new ATOM 0 HB3 PRO A 96 9.189 -2.847 -2.909 1.00 0.30 H new ATOM 0 HG2 PRO A 96 8.124 -3.725 -0.637 1.00 4.00 H new ATOM 0 HG3 PRO A 96 9.846 -3.901 -0.914 1.00 4.00 H new ATOM 0 HD2 PRO A 96 8.406 -1.885 0.811 1.00 64.42 H new ATOM 0 HD3 PRO A 96 9.903 -2.737 1.133 1.00 64.42 H new ATOM 1615 N ALA A 97 8.667 0.897 -1.479 1.00 63.32 N ATOM 1616 CA ALA A 97 8.080 2.163 -1.907 1.00 40.31 C ATOM 1617 C ALA A 97 8.961 3.351 -1.518 1.00 42.02 C ATOM 1618 O ALA A 97 8.625 4.499 -1.803 1.00 13.25 O ATOM 1619 CB ALA A 97 6.686 2.324 -1.319 1.00 42.41 C ATOM 0 H ALA A 97 8.464 0.643 -0.512 1.00 63.32 H new ATOM 0 HA ALA A 97 8.008 2.145 -2.994 1.00 40.31 H new ATOM 0 HB1 ALA A 97 6.260 3.272 -1.646 1.00 42.41 H new ATOM 0 HB2 ALA A 97 6.051 1.505 -1.658 1.00 42.41 H new ATOM 0 HB3 ALA A 97 6.746 2.310 -0.231 1.00 42.41 H new ATOM 1625 N ALA A 98 10.090 3.078 -0.873 1.00 32.41 N ATOM 1626 CA ALA A 98 11.006 4.136 -0.461 1.00 70.53 C ATOM 1627 C ALA A 98 11.821 4.631 -1.643 1.00 24.42 C ATOM 1628 O ALA A 98 12.333 5.750 -1.633 1.00 41.32 O ATOM 1629 CB ALA A 98 11.928 3.658 0.646 1.00 41.35 C ATOM 0 H ALA A 98 10.392 2.136 -0.625 1.00 32.41 H new ATOM 0 HA ALA A 98 10.408 4.963 -0.077 1.00 70.53 H new ATOM 0 HB1 ALA A 98 12.600 4.466 0.934 1.00 41.35 H new ATOM 0 HB2 ALA A 98 11.334 3.355 1.508 1.00 41.35 H new ATOM 0 HB3 ALA A 98 12.512 2.809 0.292 1.00 41.35 H new ATOM 1635 N ALA A 99 11.929 3.792 -2.665 1.00 21.32 N ATOM 1636 CA ALA A 99 12.657 4.145 -3.878 1.00 75.13 C ATOM 1637 C ALA A 99 11.807 5.046 -4.766 1.00 73.23 C ATOM 1638 O ALA A 99 12.203 5.402 -5.880 1.00 22.40 O ATOM 1639 CB ALA A 99 13.067 2.888 -4.631 1.00 63.45 C ATOM 0 H ALA A 99 11.520 2.858 -2.678 1.00 21.32 H new ATOM 0 HA ALA A 99 13.558 4.691 -3.597 1.00 75.13 H new ATOM 0 HB1 ALA A 99 13.610 3.166 -5.535 1.00 63.45 H new ATOM 0 HB2 ALA A 99 13.708 2.276 -3.996 1.00 63.45 H new ATOM 0 HB3 ALA A 99 12.177 2.320 -4.902 1.00 63.45 H new ATOM 1645 N PHE A 100 10.634 5.403 -4.262 1.00 41.35 N ATOM 1646 CA PHE A 100 9.711 6.268 -4.975 1.00 31.20 C ATOM 1647 C PHE A 100 9.277 7.421 -4.078 1.00 22.55 C ATOM 1648 O PHE A 100 9.062 7.241 -2.877 1.00 74.33 O ATOM 1649 CB PHE A 100 8.478 5.484 -5.430 1.00 63.33 C ATOM 1650 CG PHE A 100 8.784 4.318 -6.329 1.00 12.03 C ATOM 1651 CD1 PHE A 100 8.976 4.505 -7.688 1.00 25.22 C ATOM 1652 CD2 PHE A 100 8.873 3.034 -5.813 1.00 30.34 C ATOM 1653 CE1 PHE A 100 9.256 3.434 -8.515 1.00 74.22 C ATOM 1654 CE2 PHE A 100 9.151 1.959 -6.636 1.00 52.22 C ATOM 1655 CZ PHE A 100 9.342 2.159 -7.988 1.00 14.43 C ATOM 0 H PHE A 100 10.298 5.100 -3.348 1.00 41.35 H new ATOM 0 HA PHE A 100 10.222 6.663 -5.853 1.00 31.20 H new ATOM 0 HB2 PHE A 100 7.948 5.120 -4.550 1.00 63.33 H new ATOM 0 HB3 PHE A 100 7.802 6.162 -5.951 1.00 63.33 H new ATOM 0 HD1 PHE A 100 8.906 5.499 -8.106 1.00 25.22 H new ATOM 0 HD2 PHE A 100 8.723 2.872 -4.756 1.00 30.34 H new ATOM 0 HE1 PHE A 100 9.408 3.593 -9.572 1.00 74.22 H new ATOM 0 HE2 PHE A 100 9.219 0.964 -6.222 1.00 52.22 H new ATOM 0 HZ PHE A 100 9.558 1.321 -8.633 1.00 14.43 H new