USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=17 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 Single : A 7 TYR OH : rot -110:sc= -0.215 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.3) USER MOD Single : A 16 TYR OH : rot -68:sc= 1.46 USER MOD Single : A 20 MET CE :methyl -158:sc= -0.157 (180deg=-0.772) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -3.84! K(o=-3.8!,f=-1.1) USER MOD Single : A 29 ASN : amide:sc= -0.0503 X(o=-0.05,f=0) USER MOD Single : A 33 SER OG : rot 66:sc= 0.587 USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= 1.15 (180deg=0.99) USER MOD Single : A 40 LYS NZ :NH3+ 141:sc= 0.767 (180deg=-1.27!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 1.79 (180deg=1.71) USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0272) USER MOD Single : A 55 HIS : no HD1:sc= -0.136 K(o=-0.14,f=-3.7!) USER MOD Single : A 61 LYS NZ :NH3+ -135:sc= 1.26 (180deg=0.624) USER MOD Single : A 64 MET CE :methyl 175:sc= -0.938 (180deg=-1.02) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.84! K(o=-1.8!,f=-1.2) USER MOD Single : A 75 THR OG1 : rot -132:sc= 2.29 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 161:sc= -0.122 (180deg=-0.71) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 30:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc=-0.00464 X(o=-0.0046,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -7.37! C(o=-7.4!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 91 N TYR A 7 3.024 -13.115 8.750 1.00 54.44 N ATOM 92 CA TYR A 7 1.750 -12.804 8.115 1.00 43.12 C ATOM 93 C TYR A 7 1.943 -12.007 6.825 1.00 64.35 C ATOM 94 O TYR A 7 3.069 -11.685 6.435 1.00 22.11 O ATOM 95 CB TYR A 7 0.809 -12.070 9.085 1.00 24.03 C ATOM 96 CG TYR A 7 1.407 -10.868 9.795 1.00 32.01 C ATOM 97 CD1 TYR A 7 2.123 -11.023 10.978 1.00 41.14 C ATOM 98 CD2 TYR A 7 1.231 -9.581 9.303 1.00 34.42 C ATOM 99 CE1 TYR A 7 2.649 -9.932 11.645 1.00 61.01 C ATOM 100 CE2 TYR A 7 1.751 -8.484 9.967 1.00 71.12 C ATOM 101 CZ TYR A 7 2.459 -8.665 11.138 1.00 13.31 C ATOM 102 OH TYR A 7 2.980 -7.578 11.806 1.00 43.04 O ATOM 0 HA TYR A 7 1.281 -13.751 7.847 1.00 43.12 H new ATOM 0 HB2 TYR A 7 -0.071 -11.742 8.531 1.00 24.03 H new ATOM 0 HB3 TYR A 7 0.466 -12.780 9.837 1.00 24.03 H new ATOM 0 HD1 TYR A 7 2.271 -12.013 11.383 1.00 41.14 H new ATOM 0 HD2 TYR A 7 0.679 -9.434 8.387 1.00 34.42 H new ATOM 0 HE1 TYR A 7 3.206 -10.072 12.559 1.00 61.01 H new ATOM 0 HE2 TYR A 7 1.604 -7.490 9.571 1.00 71.12 H new ATOM 0 HH TYR A 7 2.250 -7.052 12.194 1.00 43.04 H new ATOM 112 N THR A 8 0.835 -11.705 6.164 1.00 40.32 N ATOM 113 CA THR A 8 0.858 -11.047 4.867 1.00 34.43 C ATOM 114 C THR A 8 0.652 -9.545 5.004 1.00 60.15 C ATOM 115 O THR A 8 0.367 -9.049 6.094 1.00 74.00 O ATOM 116 CB THR A 8 -0.246 -11.620 3.968 1.00 52.10 C ATOM 117 OG1 THR A 8 -1.512 -11.486 4.625 1.00 45.42 O ATOM 118 CG2 THR A 8 0.016 -13.085 3.661 1.00 41.51 C ATOM 0 H THR A 8 -0.102 -11.909 6.511 1.00 40.32 H new ATOM 0 HA THR A 8 1.836 -11.228 4.422 1.00 34.43 H new ATOM 0 HB THR A 8 -0.255 -11.066 3.029 1.00 52.10 H new ATOM 0 HG1 THR A 8 -2.218 -11.850 4.051 1.00 45.42 H new ATOM 0 HG21 THR A 8 -0.779 -13.471 3.023 1.00 41.51 H new ATOM 0 HG22 THR A 8 0.973 -13.184 3.149 1.00 41.51 H new ATOM 0 HG23 THR A 8 0.042 -13.653 4.591 1.00 41.51 H new ATOM 126 N VAL A 9 0.785 -8.821 3.896 1.00 11.20 N ATOM 127 CA VAL A 9 0.543 -7.386 3.898 1.00 12.50 C ATOM 128 C VAL A 9 -0.934 -7.084 4.134 1.00 44.32 C ATOM 129 O VAL A 9 -1.280 -6.009 4.610 1.00 64.11 O ATOM 130 CB VAL A 9 1.007 -6.704 2.592 1.00 34.21 C ATOM 131 CG1 VAL A 9 2.524 -6.706 2.496 1.00 74.33 C ATOM 132 CG2 VAL A 9 0.398 -7.380 1.375 1.00 24.03 C ATOM 0 H VAL A 9 1.058 -9.204 2.991 1.00 11.20 H new ATOM 0 HA VAL A 9 1.135 -6.976 4.716 1.00 12.50 H new ATOM 0 HB VAL A 9 0.661 -5.670 2.614 1.00 34.21 H new ATOM 0 HG11 VAL A 9 2.831 -6.221 1.569 1.00 74.33 H new ATOM 0 HG12 VAL A 9 2.943 -6.165 3.344 1.00 74.33 H new ATOM 0 HG13 VAL A 9 2.888 -7.733 2.506 1.00 74.33 H new ATOM 0 HG21 VAL A 9 0.742 -6.879 0.470 1.00 24.03 H new ATOM 0 HG22 VAL A 9 0.703 -8.426 1.349 1.00 24.03 H new ATOM 0 HG23 VAL A 9 -0.689 -7.321 1.432 1.00 24.03 H new ATOM 142 N ALA A 10 -1.801 -8.038 3.805 1.00 71.30 N ATOM 143 CA ALA A 10 -3.222 -7.898 4.089 1.00 75.04 C ATOM 144 C ALA A 10 -3.451 -7.807 5.593 1.00 54.15 C ATOM 145 O ALA A 10 -4.230 -6.976 6.066 1.00 11.00 O ATOM 146 CB ALA A 10 -4.003 -9.061 3.500 1.00 44.44 C ATOM 0 H ALA A 10 -1.544 -8.911 3.344 1.00 71.30 H new ATOM 0 HA ALA A 10 -3.580 -6.979 3.625 1.00 75.04 H new ATOM 0 HB1 ALA A 10 -5.063 -8.938 3.723 1.00 44.44 H new ATOM 0 HB2 ALA A 10 -3.860 -9.085 2.420 1.00 44.44 H new ATOM 0 HB3 ALA A 10 -3.647 -9.995 3.934 1.00 44.44 H new ATOM 152 N GLN A 11 -2.745 -8.649 6.337 1.00 10.31 N ATOM 153 CA GLN A 11 -2.832 -8.642 7.790 1.00 10.41 C ATOM 154 C GLN A 11 -2.040 -7.470 8.359 1.00 42.45 C ATOM 155 O GLN A 11 -2.408 -6.897 9.385 1.00 61.01 O ATOM 156 CB GLN A 11 -2.320 -9.967 8.367 1.00 2.54 C ATOM 157 CG GLN A 11 -3.124 -11.178 7.918 1.00 71.12 C ATOM 158 CD GLN A 11 -4.609 -11.020 8.182 1.00 42.01 C ATOM 159 OE1 GLN A 11 -5.347 -10.514 7.340 1.00 63.15 O ATOM 160 NE2 GLN A 11 -5.058 -11.449 9.350 1.00 51.44 N ATOM 0 H GLN A 11 -2.105 -9.346 5.956 1.00 10.31 H new ATOM 0 HA GLN A 11 -3.878 -8.527 8.075 1.00 10.41 H new ATOM 0 HB2 GLN A 11 -1.279 -10.103 8.074 1.00 2.54 H new ATOM 0 HB3 GLN A 11 -2.340 -9.911 9.455 1.00 2.54 H new ATOM 0 HG2 GLN A 11 -2.963 -11.342 6.852 1.00 71.12 H new ATOM 0 HG3 GLN A 11 -2.759 -12.065 8.436 1.00 71.12 H new ATOM 0 HE21 GLN A 11 -4.413 -11.864 10.023 1.00 51.44 H new ATOM 0 HE22 GLN A 11 -6.049 -11.365 9.578 1.00 51.44 H new ATOM 169 N LEU A 12 -0.959 -7.111 7.675 1.00 53.33 N ATOM 170 CA LEU A 12 -0.157 -5.956 8.055 1.00 41.21 C ATOM 171 C LEU A 12 -0.982 -4.679 7.936 1.00 63.14 C ATOM 172 O LEU A 12 -0.982 -3.845 8.835 1.00 63.13 O ATOM 173 CB LEU A 12 1.094 -5.861 7.172 1.00 34.33 C ATOM 174 CG LEU A 12 2.043 -4.707 7.499 1.00 52.34 C ATOM 175 CD1 LEU A 12 2.650 -4.884 8.884 1.00 2.32 C ATOM 176 CD2 LEU A 12 3.133 -4.594 6.443 1.00 45.13 C ATOM 0 H LEU A 12 -0.618 -7.606 6.851 1.00 53.33 H new ATOM 0 HA LEU A 12 0.156 -6.077 9.092 1.00 41.21 H new ATOM 0 HB2 LEU A 12 1.647 -6.797 7.253 1.00 34.33 H new ATOM 0 HB3 LEU A 12 0.778 -5.766 6.133 1.00 34.33 H new ATOM 0 HG LEU A 12 1.468 -3.781 7.497 1.00 52.34 H new ATOM 0 HD11 LEU A 12 3.322 -4.052 9.096 1.00 2.32 H new ATOM 0 HD12 LEU A 12 1.855 -4.907 9.629 1.00 2.32 H new ATOM 0 HD13 LEU A 12 3.209 -5.819 8.920 1.00 2.32 H new ATOM 0 HD21 LEU A 12 3.798 -3.767 6.693 1.00 45.13 H new ATOM 0 HD22 LEU A 12 3.704 -5.522 6.409 1.00 45.13 H new ATOM 0 HD23 LEU A 12 2.679 -4.412 5.469 1.00 45.13 H new ATOM 188 N ALA A 13 -1.698 -4.545 6.823 1.00 54.50 N ATOM 189 CA ALA A 13 -2.553 -3.387 6.584 1.00 0.53 C ATOM 190 C ALA A 13 -3.703 -3.347 7.579 1.00 45.13 C ATOM 191 O ALA A 13 -4.216 -2.280 7.906 1.00 12.24 O ATOM 192 CB ALA A 13 -3.087 -3.403 5.162 1.00 52.21 C ATOM 0 H ALA A 13 -1.702 -5.230 6.067 1.00 54.50 H new ATOM 0 HA ALA A 13 -1.951 -2.489 6.721 1.00 0.53 H new ATOM 0 HB1 ALA A 13 -3.723 -2.532 5.002 1.00 52.21 H new ATOM 0 HB2 ALA A 13 -2.254 -3.378 4.460 1.00 52.21 H new ATOM 0 HB3 ALA A 13 -3.669 -4.311 5.002 1.00 52.21 H new ATOM 198 N ASP A 14 -4.101 -4.518 8.055 1.00 3.43 N ATOM 199 CA ASP A 14 -5.144 -4.622 9.066 1.00 33.33 C ATOM 200 C ASP A 14 -4.635 -4.068 10.393 1.00 42.23 C ATOM 201 O ASP A 14 -5.308 -3.273 11.050 1.00 11.01 O ATOM 202 CB ASP A 14 -5.579 -6.080 9.223 1.00 52.00 C ATOM 203 CG ASP A 14 -6.684 -6.253 10.241 1.00 12.35 C ATOM 204 OD1 ASP A 14 -7.854 -5.982 9.899 1.00 5.05 O ATOM 205 OD2 ASP A 14 -6.394 -6.673 11.380 1.00 31.12 O ATOM 0 H ASP A 14 -3.715 -5.414 7.756 1.00 3.43 H new ATOM 0 HA ASP A 14 -6.008 -4.037 8.752 1.00 33.33 H new ATOM 0 HB2 ASP A 14 -5.916 -6.460 8.259 1.00 52.00 H new ATOM 0 HB3 ASP A 14 -4.720 -6.681 9.520 1.00 52.00 H new ATOM 210 N GLU A 15 -3.427 -4.480 10.760 1.00 71.34 N ATOM 211 CA GLU A 15 -2.766 -3.982 11.958 1.00 15.12 C ATOM 212 C GLU A 15 -2.441 -2.494 11.800 1.00 53.34 C ATOM 213 O GLU A 15 -2.542 -1.712 12.746 1.00 35.11 O ATOM 214 CB GLU A 15 -1.499 -4.805 12.214 1.00 12.52 C ATOM 215 CG GLU A 15 -0.713 -4.388 13.444 1.00 41.13 C ATOM 216 CD GLU A 15 0.271 -5.452 13.890 1.00 41.34 C ATOM 217 OE1 GLU A 15 1.309 -5.638 13.222 1.00 31.14 O ATOM 218 OE2 GLU A 15 0.000 -6.119 14.914 1.00 41.52 O ATOM 0 H GLU A 15 -2.881 -5.165 10.238 1.00 71.34 H new ATOM 0 HA GLU A 15 -3.428 -4.087 12.817 1.00 15.12 H new ATOM 0 HB2 GLU A 15 -1.777 -5.854 12.315 1.00 12.52 H new ATOM 0 HB3 GLU A 15 -0.850 -4.730 11.341 1.00 12.52 H new ATOM 0 HG2 GLU A 15 -0.174 -3.465 13.231 1.00 41.13 H new ATOM 0 HG3 GLU A 15 -1.405 -4.173 14.258 1.00 41.13 H new ATOM 225 N TYR A 16 -2.068 -2.119 10.586 1.00 62.32 N ATOM 226 CA TYR A 16 -1.822 -0.727 10.227 1.00 0.30 C ATOM 227 C TYR A 16 -3.094 0.103 10.384 1.00 11.43 C ATOM 228 O TYR A 16 -3.056 1.231 10.879 1.00 54.55 O ATOM 229 CB TYR A 16 -1.311 -0.673 8.783 1.00 63.20 C ATOM 230 CG TYR A 16 -1.140 0.716 8.207 1.00 61.44 C ATOM 231 CD1 TYR A 16 0.016 1.450 8.436 1.00 63.13 C ATOM 232 CD2 TYR A 16 -2.130 1.281 7.412 1.00 62.12 C ATOM 233 CE1 TYR A 16 0.177 2.711 7.894 1.00 44.10 C ATOM 234 CE2 TYR A 16 -1.973 2.538 6.862 1.00 73.24 C ATOM 235 CZ TYR A 16 -0.819 3.249 7.106 1.00 61.42 C ATOM 236 OH TYR A 16 -0.657 4.502 6.559 1.00 64.33 O ATOM 0 H TYR A 16 -1.926 -2.774 9.817 1.00 62.32 H new ATOM 0 HA TYR A 16 -1.070 -0.305 10.894 1.00 0.30 H new ATOM 0 HB2 TYR A 16 -0.352 -1.188 8.735 1.00 63.20 H new ATOM 0 HB3 TYR A 16 -2.003 -1.228 8.150 1.00 63.20 H new ATOM 0 HD1 TYR A 16 0.801 1.029 9.047 1.00 63.13 H new ATOM 0 HD2 TYR A 16 -3.038 0.728 7.221 1.00 62.12 H new ATOM 0 HE1 TYR A 16 1.079 3.273 8.087 1.00 44.10 H new ATOM 0 HE2 TYR A 16 -2.751 2.961 6.244 1.00 73.24 H new ATOM 0 HH TYR A 16 -0.664 5.174 7.272 1.00 64.33 H new ATOM 246 N PHE A 17 -4.219 -0.474 9.975 1.00 63.32 N ATOM 247 CA PHE A 17 -5.511 0.201 10.035 1.00 11.13 C ATOM 248 C PHE A 17 -5.879 0.568 11.472 1.00 42.43 C ATOM 249 O PHE A 17 -6.177 1.723 11.769 1.00 50.20 O ATOM 250 CB PHE A 17 -6.600 -0.696 9.422 1.00 54.43 C ATOM 251 CG PHE A 17 -7.970 -0.074 9.376 1.00 41.24 C ATOM 252 CD1 PHE A 17 -8.358 0.685 8.285 1.00 61.23 C ATOM 253 CD2 PHE A 17 -8.868 -0.257 10.415 1.00 62.23 C ATOM 254 CE1 PHE A 17 -9.617 1.252 8.232 1.00 40.11 C ATOM 255 CE2 PHE A 17 -10.127 0.309 10.366 1.00 52.22 C ATOM 256 CZ PHE A 17 -10.503 1.063 9.275 1.00 22.33 C ATOM 0 H PHE A 17 -4.261 -1.419 9.594 1.00 63.32 H new ATOM 0 HA PHE A 17 -5.439 1.125 9.461 1.00 11.13 H new ATOM 0 HB2 PHE A 17 -6.303 -0.965 8.408 1.00 54.43 H new ATOM 0 HB3 PHE A 17 -6.655 -1.622 9.994 1.00 54.43 H new ATOM 0 HD1 PHE A 17 -7.669 0.835 7.467 1.00 61.23 H new ATOM 0 HD2 PHE A 17 -8.581 -0.848 11.272 1.00 62.23 H new ATOM 0 HE1 PHE A 17 -9.908 1.842 7.376 1.00 40.11 H new ATOM 0 HE2 PHE A 17 -10.817 0.161 11.183 1.00 52.22 H new ATOM 0 HZ PHE A 17 -11.488 1.505 9.236 1.00 22.33 H new ATOM 266 N GLU A 18 -5.823 -0.409 12.367 1.00 1.41 N ATOM 267 CA GLU A 18 -6.226 -0.199 13.752 1.00 23.41 C ATOM 268 C GLU A 18 -5.251 0.725 14.486 1.00 31.12 C ATOM 269 O GLU A 18 -5.592 1.309 15.514 1.00 13.41 O ATOM 270 CB GLU A 18 -6.362 -1.537 14.483 1.00 43.33 C ATOM 271 CG GLU A 18 -5.099 -2.378 14.472 1.00 4.33 C ATOM 272 CD GLU A 18 -5.268 -3.695 15.196 1.00 13.45 C ATOM 273 OE1 GLU A 18 -5.282 -3.692 16.442 1.00 34.54 O ATOM 274 OE2 GLU A 18 -5.360 -4.742 14.525 1.00 34.33 O ATOM 0 H GLU A 18 -5.503 -1.355 12.159 1.00 1.41 H new ATOM 0 HA GLU A 18 -7.200 0.291 13.744 1.00 23.41 H new ATOM 0 HB2 GLU A 18 -6.650 -1.347 15.517 1.00 43.33 H new ATOM 0 HB3 GLU A 18 -7.170 -2.108 14.026 1.00 43.33 H new ATOM 0 HG2 GLU A 18 -4.805 -2.570 13.440 1.00 4.33 H new ATOM 0 HG3 GLU A 18 -4.289 -1.815 14.935 1.00 4.33 H new ATOM 281 N ARG A 19 -4.035 0.836 13.966 1.00 11.24 N ATOM 282 CA ARG A 19 -3.032 1.716 14.555 1.00 32.15 C ATOM 283 C ARG A 19 -3.204 3.165 14.092 1.00 74.34 C ATOM 284 O ARG A 19 -3.360 4.070 14.912 1.00 73.25 O ATOM 285 CB ARG A 19 -1.617 1.238 14.213 1.00 71.45 C ATOM 286 CG ARG A 19 -0.937 0.421 15.307 1.00 63.34 C ATOM 287 CD ARG A 19 -1.690 -0.863 15.623 1.00 70.03 C ATOM 288 NE ARG A 19 -0.933 -1.742 16.516 1.00 1.10 N ATOM 289 CZ ARG A 19 -1.242 -3.021 16.742 1.00 51.25 C ATOM 290 NH1 ARG A 19 -2.313 -3.553 16.170 1.00 62.44 N ATOM 291 NH2 ARG A 19 -0.485 -3.768 17.536 1.00 23.21 N ATOM 0 H ARG A 19 -3.719 0.329 13.139 1.00 11.24 H new ATOM 0 HA ARG A 19 -3.175 1.680 15.635 1.00 32.15 H new ATOM 0 HB2 ARG A 19 -1.661 0.637 13.304 1.00 71.45 H new ATOM 0 HB3 ARG A 19 -0.999 2.108 13.991 1.00 71.45 H new ATOM 0 HG2 ARG A 19 0.079 0.177 14.996 1.00 63.34 H new ATOM 0 HG3 ARG A 19 -0.857 1.024 16.211 1.00 63.34 H new ATOM 0 HD2 ARG A 19 -2.647 -0.617 16.083 1.00 70.03 H new ATOM 0 HD3 ARG A 19 -1.909 -1.392 14.695 1.00 70.03 H new ATOM 0 HE ARG A 19 -0.120 -1.354 16.995 1.00 1.10 H new ATOM 0 HH11 ARG A 19 -2.900 -2.985 15.558 1.00 62.44 H new ATOM 0 HH12 ARG A 19 -2.551 -4.530 16.342 1.00 62.44 H new ATOM 0 HH21 ARG A 19 0.341 -3.366 17.980 1.00 23.21 H new ATOM 0 HH22 ARG A 19 -0.729 -4.744 17.703 1.00 23.21 H new ATOM 305 N MET A 20 -3.189 3.386 12.781 1.00 31.53 N ATOM 306 CA MET A 20 -3.116 4.748 12.252 1.00 55.44 C ATOM 307 C MET A 20 -4.493 5.332 11.914 1.00 64.33 C ATOM 308 O MET A 20 -4.689 6.547 11.978 1.00 52.04 O ATOM 309 CB MET A 20 -2.209 4.783 11.018 1.00 72.25 C ATOM 310 CG MET A 20 -1.955 6.186 10.487 1.00 34.32 C ATOM 311 SD MET A 20 -0.743 6.218 9.151 1.00 34.12 S ATOM 312 CE MET A 20 0.725 5.651 10.014 1.00 10.12 C ATOM 0 H MET A 20 -3.226 2.653 12.073 1.00 31.53 H new ATOM 0 HA MET A 20 -2.694 5.373 13.039 1.00 55.44 H new ATOM 0 HB2 MET A 20 -1.254 4.319 11.266 1.00 72.25 H new ATOM 0 HB3 MET A 20 -2.660 4.181 10.229 1.00 72.25 H new ATOM 0 HG2 MET A 20 -2.894 6.610 10.130 1.00 34.32 H new ATOM 0 HG3 MET A 20 -1.608 6.821 11.302 1.00 34.32 H new ATOM 0 HE1 MET A 20 1.614 5.975 9.472 1.00 10.12 H new ATOM 0 HE2 MET A 20 0.741 6.071 11.020 1.00 10.12 H new ATOM 0 HE3 MET A 20 0.714 4.563 10.075 1.00 10.12 H new ATOM 322 N ILE A 21 -5.455 4.477 11.588 1.00 64.51 N ATOM 323 CA ILE A 21 -6.801 4.932 11.218 1.00 31.21 C ATOM 324 C ILE A 21 -7.652 5.109 12.484 1.00 44.12 C ATOM 325 O ILE A 21 -8.880 5.101 12.449 1.00 15.13 O ATOM 326 CB ILE A 21 -7.473 3.936 10.235 1.00 64.54 C ATOM 327 CG1 ILE A 21 -6.498 3.556 9.112 1.00 71.12 C ATOM 328 CG2 ILE A 21 -8.745 4.529 9.636 1.00 11.42 C ATOM 329 CD1 ILE A 21 -6.061 4.727 8.256 1.00 53.34 C ATOM 0 H ILE A 21 -5.334 3.464 11.571 1.00 64.51 H new ATOM 0 HA ILE A 21 -6.720 5.892 10.709 1.00 31.21 H new ATOM 0 HB ILE A 21 -7.741 3.041 10.796 1.00 64.54 H new ATOM 0 HG12 ILE A 21 -5.616 3.091 9.552 1.00 71.12 H new ATOM 0 HG13 ILE A 21 -6.968 2.808 8.474 1.00 71.12 H new ATOM 0 HG21 ILE A 21 -9.194 3.810 8.951 1.00 11.42 H new ATOM 0 HG22 ILE A 21 -9.450 4.759 10.435 1.00 11.42 H new ATOM 0 HG23 ILE A 21 -8.500 5.442 9.093 1.00 11.42 H new ATOM 0 HD11 ILE A 21 -5.374 4.378 7.486 1.00 53.34 H new ATOM 0 HD12 ILE A 21 -6.934 5.180 7.785 1.00 53.34 H new ATOM 0 HD13 ILE A 21 -5.561 5.467 8.880 1.00 53.34 H new ATOM 341 N ALA A 22 -6.973 5.280 13.610 1.00 40.11 N ATOM 342 CA ALA A 22 -7.643 5.537 14.875 1.00 43.21 C ATOM 343 C ALA A 22 -7.424 6.982 15.317 1.00 12.42 C ATOM 344 O ALA A 22 -8.047 7.448 16.267 1.00 74.03 O ATOM 345 CB ALA A 22 -7.141 4.575 15.940 1.00 74.22 C ATOM 0 H ALA A 22 -5.955 5.245 13.672 1.00 40.11 H new ATOM 0 HA ALA A 22 -8.713 5.380 14.737 1.00 43.21 H new ATOM 0 HB1 ALA A 22 -7.650 4.778 16.882 1.00 74.22 H new ATOM 0 HB2 ALA A 22 -7.345 3.550 15.630 1.00 74.22 H new ATOM 0 HB3 ALA A 22 -6.067 4.707 16.072 1.00 74.22 H new ATOM 351 N GLY A 23 -6.539 7.687 14.615 1.00 11.30 N ATOM 352 CA GLY A 23 -6.214 9.057 14.982 1.00 20.24 C ATOM 353 C GLY A 23 -7.174 10.062 14.381 1.00 12.33 C ATOM 354 O GLY A 23 -7.982 10.666 15.088 1.00 2.35 O ATOM 0 H GLY A 23 -6.041 7.334 13.798 1.00 11.30 H new ATOM 0 HA2 GLY A 23 -6.227 9.152 16.068 1.00 20.24 H new ATOM 0 HA3 GLY A 23 -5.200 9.287 14.654 1.00 20.24 H new ATOM 358 N ARG A 24 -7.088 10.239 13.075 1.00 3.23 N ATOM 359 CA ARG A 24 -7.978 11.125 12.358 1.00 35.05 C ATOM 360 C ARG A 24 -8.090 10.642 10.927 1.00 31.54 C ATOM 361 O ARG A 24 -7.091 10.471 10.230 1.00 31.22 O ATOM 362 CB ARG A 24 -7.504 12.583 12.397 1.00 64.51 C ATOM 363 CG ARG A 24 -6.183 12.838 11.694 1.00 35.50 C ATOM 364 CD ARG A 24 -6.250 14.109 10.866 1.00 13.11 C ATOM 365 NE ARG A 24 -4.965 14.439 10.253 1.00 33.15 N ATOM 366 CZ ARG A 24 -4.773 15.456 9.417 1.00 23.52 C ATOM 367 NH1 ARG A 24 -5.776 16.268 9.105 1.00 23.34 N ATOM 368 NH2 ARG A 24 -3.570 15.663 8.898 1.00 62.52 N ATOM 0 H ARG A 24 -6.399 9.772 12.485 1.00 3.23 H new ATOM 0 HA ARG A 24 -8.953 11.103 12.844 1.00 35.05 H new ATOM 0 HB2 ARG A 24 -8.269 13.212 11.943 1.00 64.51 H new ATOM 0 HB3 ARG A 24 -7.412 12.894 13.438 1.00 64.51 H new ATOM 0 HG2 ARG A 24 -5.384 12.920 12.431 1.00 35.50 H new ATOM 0 HG3 ARG A 24 -5.939 11.992 11.051 1.00 35.50 H new ATOM 0 HD2 ARG A 24 -7.003 13.993 10.086 1.00 13.11 H new ATOM 0 HD3 ARG A 24 -6.571 14.936 11.499 1.00 13.11 H new ATOM 0 HE ARG A 24 -4.163 13.851 10.481 1.00 33.15 H new ATOM 0 HH11 ARG A 24 -6.701 16.114 9.507 1.00 23.34 H new ATOM 0 HH12 ARG A 24 -5.622 17.046 8.463 1.00 23.34 H new ATOM 0 HH21 ARG A 24 -2.797 15.044 9.140 1.00 62.52 H new ATOM 0 HH22 ARG A 24 -3.418 16.441 8.257 1.00 62.52 H new ATOM 382 N TRP A 25 -9.303 10.371 10.521 1.00 50.20 N ATOM 383 CA TRP A 25 -9.559 9.841 9.196 1.00 30.11 C ATOM 384 C TRP A 25 -10.881 10.371 8.639 1.00 52.13 C ATOM 385 O TRP A 25 -10.972 10.685 7.457 1.00 53.41 O ATOM 386 CB TRP A 25 -9.508 8.303 9.229 1.00 75.13 C ATOM 387 CG TRP A 25 -10.586 7.648 10.044 1.00 20.42 C ATOM 388 CD1 TRP A 25 -11.649 6.952 9.564 1.00 21.05 C ATOM 389 CD2 TRP A 25 -10.720 7.647 11.472 1.00 23.03 C ATOM 390 NE1 TRP A 25 -12.434 6.505 10.598 1.00 64.13 N ATOM 391 CE2 TRP A 25 -11.883 6.918 11.780 1.00 12.44 C ATOM 392 CE3 TRP A 25 -9.968 8.180 12.520 1.00 34.35 C ATOM 393 CZ2 TRP A 25 -12.314 6.718 13.088 1.00 31.31 C ATOM 394 CZ3 TRP A 25 -10.398 7.983 13.817 1.00 14.23 C ATOM 395 CH2 TRP A 25 -11.557 7.256 14.090 1.00 11.40 C ATOM 0 H TRP A 25 -10.139 10.508 11.090 1.00 50.20 H new ATOM 0 HA TRP A 25 -8.779 10.183 8.516 1.00 30.11 H new ATOM 0 HB2 TRP A 25 -9.570 7.931 8.206 1.00 75.13 H new ATOM 0 HB3 TRP A 25 -8.539 7.995 9.622 1.00 75.13 H new ATOM 0 HD1 TRP A 25 -11.848 6.775 8.517 1.00 21.05 H new ATOM 0 HE1 TRP A 25 -13.288 5.955 10.501 1.00 64.13 H new ATOM 0 HE3 TRP A 25 -9.065 8.737 12.320 1.00 34.35 H new ATOM 0 HZ2 TRP A 25 -13.213 6.159 13.303 1.00 31.31 H new ATOM 0 HZ3 TRP A 25 -9.827 8.399 14.634 1.00 14.23 H new ATOM 0 HH2 TRP A 25 -11.863 7.115 15.116 1.00 11.40 H new ATOM 406 N LYS A 26 -11.905 10.457 9.497 1.00 3.44 N ATOM 407 CA LYS A 26 -13.180 11.112 9.147 1.00 54.32 C ATOM 408 C LYS A 26 -13.908 10.425 7.985 1.00 52.51 C ATOM 409 O LYS A 26 -14.786 11.014 7.355 1.00 34.01 O ATOM 410 CB LYS A 26 -12.955 12.595 8.820 1.00 74.23 C ATOM 411 CG LYS A 26 -12.635 13.466 10.031 1.00 32.23 C ATOM 412 CD LYS A 26 -13.741 13.401 11.072 1.00 23.03 C ATOM 413 CE LYS A 26 -13.457 12.344 12.130 1.00 53.34 C ATOM 414 NZ LYS A 26 -12.624 12.877 13.243 1.00 73.05 N ATOM 0 H LYS A 26 -11.879 10.080 10.444 1.00 3.44 H new ATOM 0 HA LYS A 26 -13.821 11.023 10.024 1.00 54.32 H new ATOM 0 HB2 LYS A 26 -12.138 12.676 8.103 1.00 74.23 H new ATOM 0 HB3 LYS A 26 -13.848 12.986 8.332 1.00 74.23 H new ATOM 0 HG2 LYS A 26 -11.695 13.140 10.477 1.00 32.23 H new ATOM 0 HG3 LYS A 26 -12.495 14.499 9.711 1.00 32.23 H new ATOM 0 HD2 LYS A 26 -13.848 14.375 11.550 1.00 23.03 H new ATOM 0 HD3 LYS A 26 -14.689 13.180 10.582 1.00 23.03 H new ATOM 0 HE2 LYS A 26 -14.399 11.969 12.530 1.00 53.34 H new ATOM 0 HE3 LYS A 26 -12.947 11.498 11.669 1.00 53.34 H new ATOM 0 HZ1 LYS A 26 -12.455 12.125 13.941 1.00 73.05 H new ATOM 0 HZ2 LYS A 26 -11.714 13.211 12.866 1.00 73.05 H new ATOM 0 HZ3 LYS A 26 -13.121 13.668 13.700 1.00 73.05 H new ATOM 428 N HIS A 27 -13.549 9.177 7.722 1.00 62.31 N ATOM 429 CA HIS A 27 -14.212 8.367 6.698 1.00 71.24 C ATOM 430 C HIS A 27 -13.763 6.911 6.812 1.00 11.52 C ATOM 431 O HIS A 27 -12.845 6.471 6.123 1.00 61.04 O ATOM 432 CB HIS A 27 -13.985 8.920 5.271 1.00 45.25 C ATOM 433 CG HIS A 27 -12.571 9.319 4.935 1.00 35.21 C ATOM 434 ND1 HIS A 27 -12.193 10.626 4.730 1.00 75.31 N ATOM 435 CD2 HIS A 27 -11.459 8.578 4.726 1.00 22.05 C ATOM 436 CE1 HIS A 27 -10.913 10.670 4.414 1.00 64.21 C ATOM 437 NE2 HIS A 27 -10.440 9.437 4.400 1.00 44.33 N ATOM 0 H HIS A 27 -12.793 8.694 8.208 1.00 62.31 H new ATOM 0 HA HIS A 27 -15.286 8.418 6.876 1.00 71.24 H new ATOM 0 HB2 HIS A 27 -14.309 8.165 4.554 1.00 45.25 H new ATOM 0 HB3 HIS A 27 -14.629 9.788 5.132 1.00 45.25 H new ATOM 0 HD2 HIS A 27 -11.386 7.503 4.802 1.00 22.05 H new ATOM 0 HE1 HIS A 27 -10.347 11.565 4.202 1.00 64.21 H new ATOM 0 HE2 HIS A 27 -9.480 9.169 4.184 1.00 44.33 H new ATOM 446 N PRO A 28 -14.415 6.151 7.706 1.00 31.12 N ATOM 447 CA PRO A 28 -13.960 4.808 8.096 1.00 34.31 C ATOM 448 C PRO A 28 -13.955 3.803 6.947 1.00 12.42 C ATOM 449 O PRO A 28 -12.920 3.219 6.630 1.00 31.45 O ATOM 450 CB PRO A 28 -14.976 4.380 9.166 1.00 10.52 C ATOM 451 CG PRO A 28 -15.645 5.638 9.602 1.00 41.21 C ATOM 452 CD PRO A 28 -15.648 6.538 8.406 1.00 25.24 C ATOM 0 HA PRO A 28 -12.926 4.833 8.440 1.00 34.31 H new ATOM 0 HB2 PRO A 28 -15.698 3.671 8.761 1.00 10.52 H new ATOM 0 HB3 PRO A 28 -14.481 3.888 10.003 1.00 10.52 H new ATOM 0 HG2 PRO A 28 -16.661 5.441 9.945 1.00 41.21 H new ATOM 0 HG3 PRO A 28 -15.111 6.096 10.434 1.00 41.21 H new ATOM 0 HD2 PRO A 28 -16.531 6.384 7.786 1.00 25.24 H new ATOM 0 HD3 PRO A 28 -15.638 7.590 8.691 1.00 25.24 H new ATOM 460 N ASN A 29 -15.102 3.610 6.311 1.00 1.42 N ATOM 461 CA ASN A 29 -15.207 2.637 5.244 1.00 23.24 C ATOM 462 C ASN A 29 -14.627 3.203 3.958 1.00 61.42 C ATOM 463 O ASN A 29 -14.010 2.484 3.183 1.00 2.35 O ATOM 464 CB ASN A 29 -16.662 2.212 5.040 1.00 2.24 C ATOM 465 CG ASN A 29 -16.806 1.157 3.966 1.00 50.02 C ATOM 466 OD1 ASN A 29 -16.721 -0.043 4.237 1.00 52.01 O ATOM 467 ND2 ASN A 29 -17.031 1.594 2.742 1.00 3.42 N ATOM 0 H ASN A 29 -15.965 4.113 6.517 1.00 1.42 H new ATOM 0 HA ASN A 29 -14.634 1.753 5.524 1.00 23.24 H new ATOM 0 HB2 ASN A 29 -17.061 1.828 5.979 1.00 2.24 H new ATOM 0 HB3 ASN A 29 -17.259 3.084 4.772 1.00 2.24 H new ATOM 0 HD21 ASN A 29 -17.142 0.930 1.976 1.00 3.42 H new ATOM 0 HD22 ASN A 29 -17.094 2.596 2.562 1.00 3.42 H new ATOM 474 N ILE A 30 -14.811 4.504 3.756 1.00 64.43 N ATOM 475 CA ILE A 30 -14.313 5.180 2.560 1.00 75.44 C ATOM 476 C ILE A 30 -12.811 4.957 2.382 1.00 5.15 C ATOM 477 O ILE A 30 -12.352 4.620 1.291 1.00 72.44 O ATOM 478 CB ILE A 30 -14.604 6.697 2.607 1.00 20.04 C ATOM 479 CG1 ILE A 30 -16.112 6.945 2.685 1.00 71.45 C ATOM 480 CG2 ILE A 30 -14.006 7.406 1.398 1.00 31.03 C ATOM 481 CD1 ILE A 30 -16.888 6.377 1.515 1.00 11.41 C ATOM 0 H ILE A 30 -15.304 5.115 4.408 1.00 64.43 H new ATOM 0 HA ILE A 30 -14.839 4.747 1.710 1.00 75.44 H new ATOM 0 HB ILE A 30 -14.135 7.107 3.502 1.00 20.04 H new ATOM 0 HG12 ILE A 30 -16.495 6.510 3.608 1.00 71.45 H new ATOM 0 HG13 ILE A 30 -16.291 8.019 2.741 1.00 71.45 H new ATOM 0 HG21 ILE A 30 -14.225 8.472 1.456 1.00 31.03 H new ATOM 0 HG22 ILE A 30 -12.926 7.258 1.387 1.00 31.03 H new ATOM 0 HG23 ILE A 30 -14.438 6.996 0.485 1.00 31.03 H new ATOM 0 HD11 ILE A 30 -17.949 6.593 1.643 1.00 11.41 H new ATOM 0 HD12 ILE A 30 -16.534 6.830 0.589 1.00 11.41 H new ATOM 0 HD13 ILE A 30 -16.741 5.298 1.470 1.00 11.41 H new ATOM 493 N VAL A 31 -12.050 5.125 3.459 1.00 60.31 N ATOM 494 CA VAL A 31 -10.610 4.923 3.392 1.00 20.31 C ATOM 495 C VAL A 31 -10.292 3.438 3.227 1.00 14.13 C ATOM 496 O VAL A 31 -9.325 3.066 2.563 1.00 63.42 O ATOM 497 CB VAL A 31 -9.875 5.492 4.637 1.00 44.13 C ATOM 498 CG1 VAL A 31 -10.199 4.702 5.896 1.00 33.00 C ATOM 499 CG2 VAL A 31 -8.372 5.536 4.404 1.00 55.15 C ATOM 0 H VAL A 31 -12.402 5.397 4.377 1.00 60.31 H new ATOM 0 HA VAL A 31 -10.248 5.472 2.523 1.00 20.31 H new ATOM 0 HB VAL A 31 -10.234 6.510 4.788 1.00 44.13 H new ATOM 0 HG11 VAL A 31 -9.665 5.132 6.743 1.00 33.00 H new ATOM 0 HG12 VAL A 31 -11.272 4.742 6.085 1.00 33.00 H new ATOM 0 HG13 VAL A 31 -9.893 3.664 5.763 1.00 33.00 H new ATOM 0 HG21 VAL A 31 -7.878 5.938 5.289 1.00 55.15 H new ATOM 0 HG22 VAL A 31 -8.004 4.529 4.209 1.00 55.15 H new ATOM 0 HG23 VAL A 31 -8.155 6.173 3.547 1.00 55.15 H new ATOM 509 N ARG A 32 -11.138 2.592 3.802 1.00 62.21 N ATOM 510 CA ARG A 32 -10.937 1.155 3.757 1.00 65.04 C ATOM 511 C ARG A 32 -11.209 0.613 2.356 1.00 4.23 C ATOM 512 O ARG A 32 -10.533 -0.310 1.903 1.00 73.42 O ATOM 513 CB ARG A 32 -11.824 0.471 4.797 1.00 73.23 C ATOM 514 CG ARG A 32 -11.074 -0.540 5.641 1.00 41.24 C ATOM 515 CD ARG A 32 -10.909 -1.868 4.923 1.00 42.11 C ATOM 516 NE ARG A 32 -9.740 -2.616 5.393 1.00 41.12 N ATOM 517 CZ ARG A 32 -9.532 -3.004 6.657 1.00 34.13 C ATOM 518 NH1 ARG A 32 -10.418 -2.734 7.610 1.00 14.41 N ATOM 519 NH2 ARG A 32 -8.432 -3.676 6.968 1.00 55.53 N ATOM 0 H ARG A 32 -11.975 2.883 4.308 1.00 62.21 H new ATOM 0 HA ARG A 32 -9.896 0.938 3.996 1.00 65.04 H new ATOM 0 HB2 ARG A 32 -12.260 1.228 5.449 1.00 73.23 H new ATOM 0 HB3 ARG A 32 -12.650 -0.028 4.290 1.00 73.23 H new ATOM 0 HG2 ARG A 32 -10.092 -0.142 5.897 1.00 41.24 H new ATOM 0 HG3 ARG A 32 -11.608 -0.698 6.578 1.00 41.24 H new ATOM 0 HD2 ARG A 32 -11.805 -2.471 5.069 1.00 42.11 H new ATOM 0 HD3 ARG A 32 -10.816 -1.690 3.852 1.00 42.11 H new ATOM 0 HE ARG A 32 -9.029 -2.860 4.703 1.00 41.12 H new ATOM 0 HH11 ARG A 32 -11.272 -2.224 7.383 1.00 14.41 H new ATOM 0 HH12 ARG A 32 -10.244 -3.037 8.568 1.00 14.41 H new ATOM 0 HH21 ARG A 32 -7.747 -3.896 6.245 1.00 55.53 H new ATOM 0 HH22 ARG A 32 -8.271 -3.973 7.930 1.00 55.53 H new ATOM 533 N SER A 33 -12.187 1.198 1.672 1.00 35.25 N ATOM 534 CA SER A 33 -12.472 0.845 0.289 1.00 15.41 C ATOM 535 C SER A 33 -11.251 1.122 -0.580 1.00 21.04 C ATOM 536 O SER A 33 -10.964 0.387 -1.526 1.00 73.34 O ATOM 537 CB SER A 33 -13.681 1.631 -0.222 1.00 64.14 C ATOM 538 OG SER A 33 -14.825 1.386 0.577 1.00 13.23 O ATOM 0 H SER A 33 -12.796 1.921 2.056 1.00 35.25 H new ATOM 0 HA SER A 33 -12.706 -0.218 0.237 1.00 15.41 H new ATOM 0 HB2 SER A 33 -13.453 2.697 -0.219 1.00 64.14 H new ATOM 0 HB3 SER A 33 -13.889 1.353 -1.255 1.00 64.14 H new ATOM 0 HG SER A 33 -14.678 1.744 1.477 1.00 13.23 H new ATOM 544 N ARG A 34 -10.522 2.179 -0.240 1.00 3.10 N ATOM 545 CA ARG A 34 -9.272 2.481 -0.916 1.00 12.42 C ATOM 546 C ARG A 34 -8.217 1.462 -0.530 1.00 21.41 C ATOM 547 O ARG A 34 -7.500 0.965 -1.380 1.00 62.33 O ATOM 548 CB ARG A 34 -8.782 3.885 -0.574 1.00 63.54 C ATOM 549 CG ARG A 34 -7.508 4.260 -1.312 1.00 41.22 C ATOM 550 CD ARG A 34 -6.993 5.623 -0.898 1.00 32.35 C ATOM 551 NE ARG A 34 -5.758 5.967 -1.598 1.00 40.03 N ATOM 552 CZ ARG A 34 -5.039 7.055 -1.336 1.00 43.20 C ATOM 553 NH1 ARG A 34 -5.429 7.894 -0.381 1.00 55.40 N ATOM 554 NH2 ARG A 34 -3.929 7.306 -2.016 1.00 54.43 N ATOM 0 H ARG A 34 -10.776 2.837 0.497 1.00 3.10 H new ATOM 0 HA ARG A 34 -9.450 2.435 -1.990 1.00 12.42 H new ATOM 0 HB2 ARG A 34 -9.562 4.606 -0.816 1.00 63.54 H new ATOM 0 HB3 ARG A 34 -8.608 3.953 0.500 1.00 63.54 H new ATOM 0 HG2 ARG A 34 -6.742 3.509 -1.118 1.00 41.22 H new ATOM 0 HG3 ARG A 34 -7.696 4.254 -2.386 1.00 41.22 H new ATOM 0 HD2 ARG A 34 -7.752 6.378 -1.106 1.00 32.35 H new ATOM 0 HD3 ARG A 34 -6.818 5.635 0.178 1.00 32.35 H new ATOM 0 HE ARG A 34 -5.428 5.337 -2.329 1.00 40.03 H new ATOM 0 HH11 ARG A 34 -6.279 7.703 0.150 1.00 55.40 H new ATOM 0 HH12 ARG A 34 -4.878 8.729 -0.179 1.00 55.40 H new ATOM 0 HH21 ARG A 34 -3.621 6.663 -2.745 1.00 54.43 H new ATOM 0 HH22 ARG A 34 -3.383 8.142 -1.810 1.00 54.43 H new ATOM 568 N ILE A 35 -8.138 1.143 0.752 1.00 0.03 N ATOM 569 CA ILE A 35 -7.156 0.182 1.235 1.00 61.21 C ATOM 570 C ILE A 35 -7.299 -1.166 0.525 1.00 43.10 C ATOM 571 O ILE A 35 -6.315 -1.743 0.074 1.00 41.00 O ATOM 572 CB ILE A 35 -7.264 -0.018 2.765 1.00 72.30 C ATOM 573 CG1 ILE A 35 -6.930 1.289 3.491 1.00 3.21 C ATOM 574 CG2 ILE A 35 -6.345 -1.141 3.232 1.00 20.54 C ATOM 575 CD1 ILE A 35 -7.071 1.202 4.997 1.00 51.01 C ATOM 0 H ILE A 35 -8.740 1.534 1.477 1.00 0.03 H new ATOM 0 HA ILE A 35 -6.173 0.593 1.008 1.00 61.21 H new ATOM 0 HB ILE A 35 -8.289 -0.301 3.005 1.00 72.30 H new ATOM 0 HG12 ILE A 35 -5.908 1.579 3.247 1.00 3.21 H new ATOM 0 HG13 ILE A 35 -7.583 2.078 3.119 1.00 3.21 H new ATOM 0 HG21 ILE A 35 -6.439 -1.263 4.311 1.00 20.54 H new ATOM 0 HG22 ILE A 35 -6.625 -2.070 2.736 1.00 20.54 H new ATOM 0 HG23 ILE A 35 -5.313 -0.894 2.983 1.00 20.54 H new ATOM 0 HD11 ILE A 35 -6.818 2.164 5.442 1.00 51.01 H new ATOM 0 HD12 ILE A 35 -8.099 0.943 5.252 1.00 51.01 H new ATOM 0 HD13 ILE A 35 -6.398 0.436 5.382 1.00 51.01 H new ATOM 587 N GLU A 36 -8.528 -1.643 0.389 1.00 70.21 N ATOM 588 CA GLU A 36 -8.770 -2.956 -0.200 1.00 3.31 C ATOM 589 C GLU A 36 -8.626 -2.937 -1.721 1.00 30.52 C ATOM 590 O GLU A 36 -8.649 -3.984 -2.363 1.00 22.41 O ATOM 591 CB GLU A 36 -10.158 -3.462 0.182 1.00 2.42 C ATOM 592 CG GLU A 36 -10.365 -3.575 1.682 1.00 52.21 C ATOM 593 CD GLU A 36 -9.299 -4.413 2.358 1.00 32.34 C ATOM 594 OE1 GLU A 36 -9.139 -5.595 1.993 1.00 3.50 O ATOM 595 OE2 GLU A 36 -8.614 -3.899 3.270 1.00 4.31 O ATOM 0 H GLU A 36 -9.370 -1.145 0.676 1.00 70.21 H new ATOM 0 HA GLU A 36 -8.013 -3.632 0.198 1.00 3.31 H new ATOM 0 HB2 GLU A 36 -10.909 -2.789 -0.232 1.00 2.42 H new ATOM 0 HB3 GLU A 36 -10.319 -4.439 -0.275 1.00 2.42 H new ATOM 0 HG2 GLU A 36 -10.369 -2.577 2.120 1.00 52.21 H new ATOM 0 HG3 GLU A 36 -11.344 -4.013 1.878 1.00 52.21 H new ATOM 602 N LYS A 37 -8.494 -1.752 -2.303 1.00 24.12 N ATOM 603 CA LYS A 37 -8.345 -1.630 -3.742 1.00 42.41 C ATOM 604 C LYS A 37 -6.922 -1.193 -4.107 1.00 52.14 C ATOM 605 O LYS A 37 -6.297 -1.761 -5.003 1.00 71.54 O ATOM 606 CB LYS A 37 -9.402 -0.653 -4.269 1.00 2.32 C ATOM 607 CG LYS A 37 -9.303 -0.339 -5.753 1.00 10.42 C ATOM 608 CD LYS A 37 -8.482 0.914 -5.997 1.00 43.01 C ATOM 609 CE LYS A 37 -9.118 2.129 -5.340 1.00 65.34 C ATOM 610 NZ LYS A 37 -8.332 3.364 -5.580 1.00 61.33 N ATOM 0 H LYS A 37 -8.487 -0.865 -1.799 1.00 24.12 H new ATOM 0 HA LYS A 37 -8.502 -2.599 -4.215 1.00 42.41 H new ATOM 0 HB2 LYS A 37 -10.390 -1.066 -4.065 1.00 2.32 H new ATOM 0 HB3 LYS A 37 -9.324 0.279 -3.710 1.00 2.32 H new ATOM 0 HG2 LYS A 37 -8.850 -1.181 -6.276 1.00 10.42 H new ATOM 0 HG3 LYS A 37 -10.303 -0.208 -6.167 1.00 10.42 H new ATOM 0 HD2 LYS A 37 -7.474 0.773 -5.606 1.00 43.01 H new ATOM 0 HD3 LYS A 37 -8.387 1.086 -7.069 1.00 43.01 H new ATOM 0 HE2 LYS A 37 -10.129 2.262 -5.725 1.00 65.34 H new ATOM 0 HE3 LYS A 37 -9.205 1.957 -4.267 1.00 65.34 H new ATOM 0 HZ1 LYS A 37 -8.620 4.096 -4.900 1.00 61.33 H new ATOM 0 HZ2 LYS A 37 -7.319 3.160 -5.461 1.00 61.33 H new ATOM 0 HZ3 LYS A 37 -8.505 3.703 -6.548 1.00 61.33 H new ATOM 624 N ASP A 38 -6.423 -0.192 -3.394 1.00 65.14 N ATOM 625 CA ASP A 38 -5.072 0.334 -3.594 1.00 51.01 C ATOM 626 C ASP A 38 -4.029 -0.623 -3.037 1.00 5.10 C ATOM 627 O ASP A 38 -3.104 -1.030 -3.734 1.00 42.10 O ATOM 628 CB ASP A 38 -4.917 1.698 -2.902 1.00 41.25 C ATOM 629 CG ASP A 38 -5.319 2.875 -3.774 1.00 64.01 C ATOM 630 OD1 ASP A 38 -5.995 2.661 -4.795 1.00 51.55 O ATOM 631 OD2 ASP A 38 -4.969 4.024 -3.421 1.00 35.11 O ATOM 0 H ASP A 38 -6.944 0.283 -2.656 1.00 65.14 H new ATOM 0 HA ASP A 38 -4.918 0.448 -4.667 1.00 51.01 H new ATOM 0 HB2 ASP A 38 -5.522 1.706 -1.995 1.00 41.25 H new ATOM 0 HB3 ASP A 38 -3.879 1.823 -2.594 1.00 41.25 H new ATOM 636 N ILE A 39 -4.195 -0.984 -1.770 1.00 63.44 N ATOM 637 CA ILE A 39 -3.221 -1.814 -1.073 1.00 65.24 C ATOM 638 C ILE A 39 -3.380 -3.283 -1.458 1.00 11.43 C ATOM 639 O ILE A 39 -2.423 -4.056 -1.426 1.00 1.45 O ATOM 640 CB ILE A 39 -3.361 -1.671 0.462 1.00 71.11 C ATOM 641 CG1 ILE A 39 -3.387 -0.193 0.870 1.00 54.53 C ATOM 642 CG2 ILE A 39 -2.236 -2.399 1.183 1.00 35.14 C ATOM 643 CD1 ILE A 39 -2.156 0.582 0.455 1.00 65.13 C ATOM 0 H ILE A 39 -4.998 -0.713 -1.203 1.00 63.44 H new ATOM 0 HA ILE A 39 -2.231 -1.470 -1.373 1.00 65.24 H new ATOM 0 HB ILE A 39 -4.306 -2.128 0.755 1.00 71.11 H new ATOM 0 HG12 ILE A 39 -4.266 0.279 0.431 1.00 54.53 H new ATOM 0 HG13 ILE A 39 -3.497 -0.127 1.952 1.00 54.53 H new ATOM 0 HG21 ILE A 39 -2.359 -2.282 2.260 1.00 35.14 H new ATOM 0 HG22 ILE A 39 -2.265 -3.458 0.927 1.00 35.14 H new ATOM 0 HG23 ILE A 39 -1.277 -1.979 0.879 1.00 35.14 H new ATOM 0 HD11 ILE A 39 -2.252 1.618 0.780 1.00 65.13 H new ATOM 0 HD12 ILE A 39 -1.274 0.137 0.915 1.00 65.13 H new ATOM 0 HD13 ILE A 39 -2.054 0.550 -0.630 1.00 65.13 H new ATOM 655 N LYS A 40 -4.595 -3.669 -1.832 1.00 11.34 N ATOM 656 CA LYS A 40 -4.864 -5.047 -2.221 1.00 31.53 C ATOM 657 C LYS A 40 -5.341 -5.135 -3.671 1.00 3.21 C ATOM 658 O LYS A 40 -6.526 -5.357 -3.923 1.00 3.42 O ATOM 659 CB LYS A 40 -5.918 -5.696 -1.308 1.00 12.32 C ATOM 660 CG LYS A 40 -5.481 -5.924 0.137 1.00 33.31 C ATOM 661 CD LYS A 40 -5.470 -4.637 0.946 1.00 30.53 C ATOM 662 CE LYS A 40 -5.294 -4.904 2.433 1.00 1.04 C ATOM 663 NZ LYS A 40 -6.486 -5.567 3.031 1.00 4.12 N ATOM 0 H LYS A 40 -5.405 -3.050 -1.874 1.00 11.34 H new ATOM 0 HA LYS A 40 -3.923 -5.587 -2.119 1.00 31.53 H new ATOM 0 HB2 LYS A 40 -6.809 -5.068 -1.306 1.00 12.32 H new ATOM 0 HB3 LYS A 40 -6.206 -6.655 -1.738 1.00 12.32 H new ATOM 0 HG2 LYS A 40 -6.153 -6.641 0.609 1.00 33.31 H new ATOM 0 HG3 LYS A 40 -4.485 -6.366 0.148 1.00 33.31 H new ATOM 0 HD2 LYS A 40 -4.663 -3.994 0.595 1.00 30.53 H new ATOM 0 HD3 LYS A 40 -6.402 -4.097 0.782 1.00 30.53 H new ATOM 0 HE2 LYS A 40 -4.416 -5.532 2.586 1.00 1.04 H new ATOM 0 HE3 LYS A 40 -5.107 -3.963 2.950 1.00 1.04 H new ATOM 0 HZ1 LYS A 40 -6.177 -6.280 3.722 1.00 4.12 H new ATOM 0 HZ2 LYS A 40 -7.076 -4.856 3.508 1.00 4.12 H new ATOM 0 HZ3 LYS A 40 -7.039 -6.029 2.281 1.00 4.12 H new ATOM 677 N PRO A 41 -4.445 -4.939 -4.654 1.00 55.42 N ATOM 678 CA PRO A 41 -4.794 -5.147 -6.057 1.00 70.00 C ATOM 679 C PRO A 41 -4.921 -6.632 -6.375 1.00 64.10 C ATOM 680 O PRO A 41 -5.952 -7.090 -6.868 1.00 45.12 O ATOM 681 CB PRO A 41 -3.628 -4.518 -6.823 1.00 4.14 C ATOM 682 CG PRO A 41 -2.475 -4.548 -5.877 1.00 4.32 C ATOM 683 CD PRO A 41 -3.053 -4.474 -4.489 1.00 21.34 C ATOM 0 HA PRO A 41 -5.755 -4.706 -6.320 1.00 70.00 H new ATOM 0 HB2 PRO A 41 -3.406 -5.078 -7.731 1.00 4.14 H new ATOM 0 HB3 PRO A 41 -3.861 -3.498 -7.127 1.00 4.14 H new ATOM 0 HG2 PRO A 41 -1.892 -5.460 -6.006 1.00 4.32 H new ATOM 0 HG3 PRO A 41 -1.801 -3.711 -6.061 1.00 4.32 H new ATOM 0 HD2 PRO A 41 -2.501 -5.106 -3.793 1.00 21.34 H new ATOM 0 HD3 PRO A 41 -3.016 -3.458 -4.095 1.00 21.34 H new ATOM 691 N ALA A 42 -3.863 -7.377 -6.077 1.00 45.43 N ATOM 692 CA ALA A 42 -3.857 -8.826 -6.236 1.00 14.24 C ATOM 693 C ALA A 42 -2.690 -9.426 -5.465 1.00 22.01 C ATOM 694 O ALA A 42 -2.277 -10.555 -5.710 1.00 11.45 O ATOM 695 CB ALA A 42 -3.775 -9.205 -7.710 1.00 40.32 C ATOM 0 H ALA A 42 -2.988 -6.995 -5.719 1.00 45.43 H new ATOM 0 HA ALA A 42 -4.788 -9.226 -5.835 1.00 14.24 H new ATOM 0 HB1 ALA A 42 -3.772 -10.291 -7.807 1.00 40.32 H new ATOM 0 HB2 ALA A 42 -4.636 -8.796 -8.239 1.00 40.32 H new ATOM 0 HB3 ALA A 42 -2.859 -8.800 -8.139 1.00 40.32 H new ATOM 701 N ILE A 43 -2.180 -8.660 -4.511 1.00 43.40 N ATOM 702 CA ILE A 43 -0.991 -9.049 -3.766 1.00 52.31 C ATOM 703 C ILE A 43 -1.237 -8.986 -2.262 1.00 31.01 C ATOM 704 O ILE A 43 -0.303 -8.841 -1.479 1.00 54.45 O ATOM 705 CB ILE A 43 0.204 -8.139 -4.122 1.00 33.00 C ATOM 706 CG1 ILE A 43 -0.196 -6.667 -4.000 1.00 31.12 C ATOM 707 CG2 ILE A 43 0.702 -8.444 -5.530 1.00 42.32 C ATOM 708 CD1 ILE A 43 0.975 -5.707 -4.033 1.00 71.05 C ATOM 0 H ILE A 43 -2.574 -7.761 -4.234 1.00 43.40 H new ATOM 0 HA ILE A 43 -0.758 -10.077 -4.045 1.00 52.31 H new ATOM 0 HB ILE A 43 1.015 -8.336 -3.421 1.00 33.00 H new ATOM 0 HG12 ILE A 43 -0.880 -6.418 -4.812 1.00 31.12 H new ATOM 0 HG13 ILE A 43 -0.743 -6.525 -3.068 1.00 31.12 H new ATOM 0 HG21 ILE A 43 1.545 -7.794 -5.767 1.00 42.32 H new ATOM 0 HG22 ILE A 43 1.020 -9.485 -5.586 1.00 42.32 H new ATOM 0 HG23 ILE A 43 -0.102 -8.271 -6.246 1.00 42.32 H new ATOM 0 HD11 ILE A 43 0.610 -4.684 -3.941 1.00 71.05 H new ATOM 0 HD12 ILE A 43 1.649 -5.927 -3.205 1.00 71.05 H new ATOM 0 HD13 ILE A 43 1.510 -5.818 -4.976 1.00 71.05 H new ATOM 720 N GLY A 44 -2.498 -9.119 -1.863 1.00 10.54 N ATOM 721 CA GLY A 44 -2.843 -9.053 -0.451 1.00 50.44 C ATOM 722 C GLY A 44 -2.160 -10.139 0.361 1.00 63.14 C ATOM 723 O GLY A 44 -1.694 -9.900 1.476 1.00 44.54 O ATOM 0 H GLY A 44 -3.288 -9.271 -2.490 1.00 10.54 H new ATOM 0 HA2 GLY A 44 -2.562 -8.077 -0.056 1.00 50.44 H new ATOM 0 HA3 GLY A 44 -3.923 -9.144 -0.339 1.00 50.44 H new ATOM 727 N SER A 45 -2.080 -11.330 -0.208 1.00 4.32 N ATOM 728 CA SER A 45 -1.464 -12.461 0.470 1.00 21.32 C ATOM 729 C SER A 45 -0.025 -12.671 -0.002 1.00 64.35 C ATOM 730 O SER A 45 0.525 -13.762 0.123 1.00 0.41 O ATOM 731 CB SER A 45 -2.292 -13.720 0.219 1.00 71.44 C ATOM 732 OG SER A 45 -3.648 -13.508 0.578 1.00 74.40 O ATOM 0 H SER A 45 -2.435 -11.540 -1.141 1.00 4.32 H new ATOM 0 HA SER A 45 -1.437 -12.251 1.539 1.00 21.32 H new ATOM 0 HB2 SER A 45 -2.228 -13.999 -0.833 1.00 71.44 H new ATOM 0 HB3 SER A 45 -1.884 -14.551 0.795 1.00 71.44 H new ATOM 0 HG SER A 45 -4.163 -14.325 0.409 1.00 74.40 H new ATOM 738 N LEU A 46 0.597 -11.608 -0.502 1.00 41.34 N ATOM 739 CA LEU A 46 1.951 -11.697 -1.046 1.00 40.41 C ATOM 740 C LEU A 46 3.005 -11.537 0.054 1.00 2.03 C ATOM 741 O LEU A 46 4.147 -11.183 -0.222 1.00 13.25 O ATOM 742 CB LEU A 46 2.150 -10.626 -2.118 1.00 65.12 C ATOM 743 CG LEU A 46 3.429 -10.761 -2.946 1.00 4.15 C ATOM 744 CD1 LEU A 46 3.349 -11.960 -3.879 1.00 12.35 C ATOM 745 CD2 LEU A 46 3.698 -9.486 -3.726 1.00 65.22 C ATOM 0 H LEU A 46 0.187 -10.675 -0.543 1.00 41.34 H new ATOM 0 HA LEU A 46 2.074 -12.685 -1.490 1.00 40.41 H new ATOM 0 HB2 LEU A 46 1.295 -10.648 -2.794 1.00 65.12 H new ATOM 0 HB3 LEU A 46 2.150 -9.648 -1.636 1.00 65.12 H new ATOM 0 HG LEU A 46 4.261 -10.924 -2.261 1.00 4.15 H new ATOM 0 HD11 LEU A 46 4.271 -12.034 -4.456 1.00 12.35 H new ATOM 0 HD12 LEU A 46 3.214 -12.869 -3.293 1.00 12.35 H new ATOM 0 HD13 LEU A 46 2.505 -11.837 -4.557 1.00 12.35 H new ATOM 0 HD21 LEU A 46 4.612 -9.602 -4.309 1.00 65.22 H new ATOM 0 HD22 LEU A 46 2.863 -9.287 -4.397 1.00 65.22 H new ATOM 0 HD23 LEU A 46 3.813 -8.653 -3.033 1.00 65.22 H new ATOM 757 N LYS A 47 2.620 -11.839 1.294 1.00 43.12 N ATOM 758 CA LYS A 47 3.514 -11.730 2.442 1.00 3.35 C ATOM 759 C LYS A 47 4.030 -10.306 2.665 1.00 52.11 C ATOM 760 O LYS A 47 3.913 -9.441 1.803 1.00 12.41 O ATOM 761 CB LYS A 47 4.695 -12.674 2.257 1.00 44.01 C ATOM 762 CG LYS A 47 4.316 -14.143 2.283 1.00 21.32 C ATOM 763 CD LYS A 47 3.954 -14.579 3.686 1.00 64.32 C ATOM 764 CE LYS A 47 5.033 -14.163 4.672 1.00 13.35 C ATOM 765 NZ LYS A 47 6.364 -14.747 4.336 1.00 52.44 N ATOM 0 H LYS A 47 1.682 -12.165 1.528 1.00 43.12 H new ATOM 0 HA LYS A 47 2.936 -12.003 3.325 1.00 3.35 H new ATOM 0 HB2 LYS A 47 5.181 -12.451 1.307 1.00 44.01 H new ATOM 0 HB3 LYS A 47 5.427 -12.483 3.042 1.00 44.01 H new ATOM 0 HG2 LYS A 47 3.473 -14.318 1.614 1.00 21.32 H new ATOM 0 HG3 LYS A 47 5.147 -14.744 1.913 1.00 21.32 H new ATOM 0 HD2 LYS A 47 3.000 -14.137 3.975 1.00 64.32 H new ATOM 0 HD3 LYS A 47 3.826 -15.661 3.714 1.00 64.32 H new ATOM 0 HE2 LYS A 47 5.109 -13.076 4.686 1.00 13.35 H new ATOM 0 HE3 LYS A 47 4.745 -14.476 5.676 1.00 13.35 H new ATOM 0 HZ1 LYS A 47 7.056 -14.477 5.064 1.00 52.44 H new ATOM 0 HZ2 LYS A 47 6.289 -15.784 4.298 1.00 52.44 H new ATOM 0 HZ3 LYS A 47 6.677 -14.388 3.411 1.00 52.44 H new ATOM 779 N VAL A 48 4.569 -10.069 3.852 1.00 32.11 N ATOM 780 CA VAL A 48 5.258 -8.817 4.137 1.00 33.55 C ATOM 781 C VAL A 48 6.692 -8.883 3.609 1.00 63.45 C ATOM 782 O VAL A 48 7.256 -7.885 3.170 1.00 53.15 O ATOM 783 CB VAL A 48 5.283 -8.512 5.653 1.00 45.20 C ATOM 784 CG1 VAL A 48 5.955 -7.175 5.921 1.00 11.33 C ATOM 785 CG2 VAL A 48 3.877 -8.532 6.233 1.00 4.34 C ATOM 0 H VAL A 48 4.543 -10.725 4.633 1.00 32.11 H new ATOM 0 HA VAL A 48 4.712 -8.016 3.638 1.00 33.55 H new ATOM 0 HB VAL A 48 5.864 -9.292 6.146 1.00 45.20 H new ATOM 0 HG11 VAL A 48 5.962 -6.980 6.993 1.00 11.33 H new ATOM 0 HG12 VAL A 48 6.980 -7.202 5.550 1.00 11.33 H new ATOM 0 HG13 VAL A 48 5.406 -6.383 5.412 1.00 11.33 H new ATOM 0 HG21 VAL A 48 3.921 -8.315 7.300 1.00 4.34 H new ATOM 0 HG22 VAL A 48 3.267 -7.779 5.734 1.00 4.34 H new ATOM 0 HG23 VAL A 48 3.435 -9.517 6.081 1.00 4.34 H new ATOM 795 N GLU A 49 7.258 -10.084 3.637 1.00 20.43 N ATOM 796 CA GLU A 49 8.642 -10.301 3.225 1.00 40.12 C ATOM 797 C GLU A 49 8.736 -10.533 1.723 1.00 62.14 C ATOM 798 O GLU A 49 9.799 -10.378 1.123 1.00 22.14 O ATOM 799 CB GLU A 49 9.207 -11.535 3.927 1.00 43.20 C ATOM 800 CG GLU A 49 9.010 -11.558 5.433 1.00 42.20 C ATOM 801 CD GLU A 49 9.274 -12.932 6.014 1.00 2.23 C ATOM 802 OE1 GLU A 49 8.359 -13.785 5.955 1.00 33.41 O ATOM 803 OE2 GLU A 49 10.397 -13.177 6.504 1.00 4.14 O ATOM 0 H GLU A 49 6.776 -10.929 3.943 1.00 20.43 H new ATOM 0 HA GLU A 49 9.209 -9.410 3.494 1.00 40.12 H new ATOM 0 HB2 GLU A 49 8.741 -12.423 3.500 1.00 43.20 H new ATOM 0 HB3 GLU A 49 10.274 -11.601 3.713 1.00 43.20 H new ATOM 0 HG2 GLU A 49 9.677 -10.832 5.898 1.00 42.20 H new ATOM 0 HG3 GLU A 49 7.991 -11.252 5.671 1.00 42.20 H new ATOM 810 N ASP A 50 7.621 -10.918 1.126 1.00 63.42 N ATOM 811 CA ASP A 50 7.618 -11.426 -0.240 1.00 3.41 C ATOM 812 C ASP A 50 7.068 -10.404 -1.226 1.00 73.45 C ATOM 813 O ASP A 50 6.919 -10.688 -2.418 1.00 25.32 O ATOM 814 CB ASP A 50 6.802 -12.719 -0.293 1.00 23.21 C ATOM 815 CG ASP A 50 7.524 -13.894 0.342 1.00 51.22 C ATOM 816 OD1 ASP A 50 7.418 -14.074 1.581 1.00 34.02 O ATOM 817 OD2 ASP A 50 8.196 -14.646 -0.393 1.00 23.34 O ATOM 0 H ASP A 50 6.701 -10.889 1.566 1.00 63.42 H new ATOM 0 HA ASP A 50 8.648 -11.627 -0.534 1.00 3.41 H new ATOM 0 HB2 ASP A 50 5.851 -12.564 0.216 1.00 23.21 H new ATOM 0 HB3 ASP A 50 6.573 -12.957 -1.332 1.00 23.21 H new ATOM 822 N VAL A 51 6.781 -9.209 -0.736 1.00 34.30 N ATOM 823 CA VAL A 51 6.272 -8.147 -1.585 1.00 15.22 C ATOM 824 C VAL A 51 7.426 -7.331 -2.171 1.00 44.12 C ATOM 825 O VAL A 51 8.097 -6.570 -1.476 1.00 71.34 O ATOM 826 CB VAL A 51 5.273 -7.229 -0.830 1.00 52.21 C ATOM 827 CG1 VAL A 51 5.871 -6.706 0.471 1.00 23.44 C ATOM 828 CG2 VAL A 51 4.817 -6.076 -1.716 1.00 1.14 C ATOM 0 H VAL A 51 6.892 -8.951 0.245 1.00 34.30 H new ATOM 0 HA VAL A 51 5.724 -8.614 -2.403 1.00 15.22 H new ATOM 0 HB VAL A 51 4.401 -7.831 -0.576 1.00 52.21 H new ATOM 0 HG11 VAL A 51 5.145 -6.067 0.974 1.00 23.44 H new ATOM 0 HG12 VAL A 51 6.125 -7.546 1.118 1.00 23.44 H new ATOM 0 HG13 VAL A 51 6.771 -6.131 0.253 1.00 23.44 H new ATOM 0 HG21 VAL A 51 4.118 -5.448 -1.164 1.00 1.14 H new ATOM 0 HG22 VAL A 51 5.681 -5.482 -2.014 1.00 1.14 H new ATOM 0 HG23 VAL A 51 4.325 -6.472 -2.604 1.00 1.14 H new ATOM 838 N LYS A 52 7.671 -7.525 -3.459 1.00 32.02 N ATOM 839 CA LYS A 52 8.753 -6.828 -4.139 1.00 31.12 C ATOM 840 C LYS A 52 8.225 -5.596 -4.871 1.00 61.12 C ATOM 841 O LYS A 52 7.051 -5.549 -5.253 1.00 51.11 O ATOM 842 CB LYS A 52 9.506 -7.758 -5.111 1.00 41.30 C ATOM 843 CG LYS A 52 8.637 -8.479 -6.138 1.00 61.32 C ATOM 844 CD LYS A 52 7.937 -9.704 -5.555 1.00 34.21 C ATOM 845 CE LYS A 52 8.926 -10.729 -5.005 1.00 15.43 C ATOM 846 NZ LYS A 52 9.834 -11.273 -6.053 1.00 64.11 N ATOM 0 H LYS A 52 7.136 -8.158 -4.053 1.00 32.02 H new ATOM 0 HA LYS A 52 9.463 -6.502 -3.379 1.00 31.12 H new ATOM 0 HB2 LYS A 52 10.254 -7.170 -5.643 1.00 41.30 H new ATOM 0 HB3 LYS A 52 10.044 -8.505 -4.528 1.00 41.30 H new ATOM 0 HG2 LYS A 52 7.889 -7.787 -6.526 1.00 61.32 H new ATOM 0 HG3 LYS A 52 9.256 -8.785 -6.982 1.00 61.32 H new ATOM 0 HD2 LYS A 52 7.262 -9.390 -4.759 1.00 34.21 H new ATOM 0 HD3 LYS A 52 7.324 -10.171 -6.326 1.00 34.21 H new ATOM 0 HE2 LYS A 52 9.522 -10.267 -4.218 1.00 15.43 H new ATOM 0 HE3 LYS A 52 8.375 -11.550 -4.546 1.00 15.43 H new ATOM 0 HZ1 LYS A 52 10.426 -12.024 -5.644 1.00 64.11 H new ATOM 0 HZ2 LYS A 52 9.269 -11.664 -6.833 1.00 64.11 H new ATOM 0 HZ3 LYS A 52 10.442 -10.511 -6.415 1.00 64.11 H new ATOM 860 N PRO A 53 9.101 -4.597 -5.093 1.00 53.11 N ATOM 861 CA PRO A 53 8.719 -3.300 -5.676 1.00 43.52 C ATOM 862 C PRO A 53 8.209 -3.414 -7.110 1.00 4.11 C ATOM 863 O PRO A 53 7.571 -2.497 -7.622 1.00 31.33 O ATOM 864 CB PRO A 53 10.018 -2.484 -5.633 1.00 45.10 C ATOM 865 CG PRO A 53 11.107 -3.495 -5.566 1.00 63.13 C ATOM 866 CD PRO A 53 10.545 -4.653 -4.797 1.00 31.45 C ATOM 0 HA PRO A 53 7.895 -2.847 -5.125 1.00 43.52 H new ATOM 0 HB2 PRO A 53 10.118 -1.855 -6.517 1.00 45.10 H new ATOM 0 HB3 PRO A 53 10.040 -1.823 -4.767 1.00 45.10 H new ATOM 0 HG2 PRO A 53 11.417 -3.803 -6.565 1.00 63.13 H new ATOM 0 HG3 PRO A 53 11.988 -3.088 -5.070 1.00 63.13 H new ATOM 0 HD2 PRO A 53 10.984 -5.598 -5.117 1.00 31.45 H new ATOM 0 HD3 PRO A 53 10.739 -4.557 -3.729 1.00 31.45 H new ATOM 874 N ARG A 54 8.483 -4.547 -7.748 1.00 33.32 N ATOM 875 CA ARG A 54 8.016 -4.790 -9.105 1.00 12.31 C ATOM 876 C ARG A 54 6.492 -4.708 -9.152 1.00 53.02 C ATOM 877 O ARG A 54 5.918 -4.023 -9.996 1.00 61.42 O ATOM 878 CB ARG A 54 8.486 -6.169 -9.582 1.00 2.42 C ATOM 879 CG ARG A 54 8.856 -6.214 -11.053 1.00 65.04 C ATOM 880 CD ARG A 54 7.687 -5.826 -11.944 1.00 74.00 C ATOM 881 NE ARG A 54 8.125 -5.088 -13.122 1.00 50.52 N ATOM 882 CZ ARG A 54 7.600 -3.923 -13.502 1.00 14.32 C ATOM 883 NH1 ARG A 54 6.540 -3.425 -12.872 1.00 21.04 N ATOM 884 NH2 ARG A 54 8.121 -3.271 -14.529 1.00 41.23 N ATOM 0 H ARG A 54 9.026 -5.311 -7.346 1.00 33.32 H new ATOM 0 HA ARG A 54 8.431 -4.030 -9.766 1.00 12.31 H new ATOM 0 HB2 ARG A 54 9.349 -6.473 -8.990 1.00 2.42 H new ATOM 0 HB3 ARG A 54 7.697 -6.897 -9.393 1.00 2.42 H new ATOM 0 HG2 ARG A 54 9.692 -5.540 -11.238 1.00 65.04 H new ATOM 0 HG3 ARG A 54 9.192 -7.218 -11.312 1.00 65.04 H new ATOM 0 HD2 ARG A 54 7.154 -6.724 -12.255 1.00 74.00 H new ATOM 0 HD3 ARG A 54 6.983 -5.218 -11.376 1.00 74.00 H new ATOM 0 HE ARG A 54 8.875 -5.485 -13.687 1.00 50.52 H new ATOM 0 HH11 ARG A 54 6.124 -3.935 -12.093 1.00 21.04 H new ATOM 0 HH12 ARG A 54 6.143 -2.533 -13.168 1.00 21.04 H new ATOM 0 HH21 ARG A 54 8.922 -3.660 -15.027 1.00 41.23 H new ATOM 0 HH22 ARG A 54 7.722 -2.379 -14.823 1.00 41.23 H new ATOM 898 N HIS A 55 5.854 -5.395 -8.216 1.00 75.22 N ATOM 899 CA HIS A 55 4.398 -5.419 -8.135 1.00 60.53 C ATOM 900 C HIS A 55 3.864 -4.054 -7.716 1.00 73.12 C ATOM 901 O HIS A 55 2.782 -3.644 -8.136 1.00 20.31 O ATOM 902 CB HIS A 55 3.922 -6.509 -7.171 1.00 34.14 C ATOM 903 CG HIS A 55 4.171 -7.903 -7.672 1.00 11.23 C ATOM 904 ND1 HIS A 55 4.220 -9.004 -6.845 1.00 10.41 N ATOM 905 CD2 HIS A 55 4.372 -8.372 -8.928 1.00 70.30 C ATOM 906 CE1 HIS A 55 4.445 -10.088 -7.570 1.00 41.10 C ATOM 907 NE2 HIS A 55 4.542 -9.731 -8.834 1.00 42.02 N ATOM 0 H HIS A 55 6.323 -5.947 -7.498 1.00 75.22 H new ATOM 0 HA HIS A 55 4.005 -5.652 -9.125 1.00 60.53 H new ATOM 0 HB2 HIS A 55 4.425 -6.381 -6.213 1.00 34.14 H new ATOM 0 HB3 HIS A 55 2.855 -6.382 -6.990 1.00 34.14 H new ATOM 0 HD2 HIS A 55 4.394 -7.785 -9.834 1.00 70.30 H new ATOM 0 HE1 HIS A 55 4.534 -11.095 -7.190 1.00 41.10 H new ATOM 0 HE2 HIS A 55 4.715 -10.362 -9.616 1.00 42.02 H new ATOM 916 N ILE A 56 4.626 -3.367 -6.869 1.00 43.13 N ATOM 917 CA ILE A 56 4.278 -2.017 -6.434 1.00 53.04 C ATOM 918 C ILE A 56 4.165 -1.075 -7.633 1.00 50.00 C ATOM 919 O ILE A 56 3.270 -0.233 -7.692 1.00 64.42 O ATOM 920 CB ILE A 56 5.330 -1.466 -5.440 1.00 4.04 C ATOM 921 CG1 ILE A 56 5.434 -2.375 -4.210 1.00 31.21 C ATOM 922 CG2 ILE A 56 4.996 -0.041 -5.023 1.00 12.24 C ATOM 923 CD1 ILE A 56 4.134 -2.535 -3.450 1.00 23.13 C ATOM 0 H ILE A 56 5.493 -3.725 -6.468 1.00 43.13 H new ATOM 0 HA ILE A 56 3.313 -2.071 -5.930 1.00 53.04 H new ATOM 0 HB ILE A 56 6.296 -1.452 -5.945 1.00 4.04 H new ATOM 0 HG12 ILE A 56 5.781 -3.359 -4.526 1.00 31.21 H new ATOM 0 HG13 ILE A 56 6.190 -1.972 -3.536 1.00 31.21 H new ATOM 0 HG21 ILE A 56 5.751 0.320 -4.325 1.00 12.24 H new ATOM 0 HG22 ILE A 56 4.979 0.601 -5.904 1.00 12.24 H new ATOM 0 HG23 ILE A 56 4.018 -0.023 -4.541 1.00 12.24 H new ATOM 0 HD11 ILE A 56 4.291 -3.192 -2.595 1.00 23.13 H new ATOM 0 HD12 ILE A 56 3.794 -1.560 -3.101 1.00 23.13 H new ATOM 0 HD13 ILE A 56 3.380 -2.968 -4.107 1.00 23.13 H new ATOM 935 N ASP A 57 5.062 -1.236 -8.598 1.00 2.22 N ATOM 936 CA ASP A 57 5.021 -0.438 -9.820 1.00 4.13 C ATOM 937 C ASP A 57 3.750 -0.736 -10.606 1.00 33.43 C ATOM 938 O ASP A 57 3.109 0.170 -11.140 1.00 60.32 O ATOM 939 CB ASP A 57 6.251 -0.726 -10.685 1.00 4.13 C ATOM 940 CG ASP A 57 6.175 -0.080 -12.058 1.00 22.24 C ATOM 941 OD1 ASP A 57 6.567 1.098 -12.195 1.00 63.14 O ATOM 942 OD2 ASP A 57 5.749 -0.759 -13.017 1.00 34.24 O ATOM 0 H ASP A 57 5.826 -1.911 -8.560 1.00 2.22 H new ATOM 0 HA ASP A 57 5.024 0.616 -9.544 1.00 4.13 H new ATOM 0 HB2 ASP A 57 7.143 -0.368 -10.170 1.00 4.13 H new ATOM 0 HB3 ASP A 57 6.362 -1.804 -10.802 1.00 4.13 H new ATOM 947 N ASP A 58 3.380 -2.010 -10.644 1.00 21.34 N ATOM 948 CA ASP A 58 2.202 -2.451 -11.388 1.00 14.22 C ATOM 949 C ASP A 58 0.919 -1.828 -10.851 1.00 20.24 C ATOM 950 O ASP A 58 0.092 -1.345 -11.624 1.00 34.04 O ATOM 951 CB ASP A 58 2.077 -3.976 -11.374 1.00 1.02 C ATOM 952 CG ASP A 58 2.951 -4.643 -12.417 1.00 65.43 C ATOM 953 OD1 ASP A 58 2.578 -4.620 -13.612 1.00 71.52 O ATOM 954 OD2 ASP A 58 3.996 -5.217 -12.049 1.00 71.40 O ATOM 0 H ASP A 58 3.880 -2.760 -10.167 1.00 21.34 H new ATOM 0 HA ASP A 58 2.341 -2.114 -12.415 1.00 14.22 H new ATOM 0 HB2 ASP A 58 2.347 -4.350 -10.386 1.00 1.02 H new ATOM 0 HB3 ASP A 58 1.037 -4.253 -11.546 1.00 1.02 H new ATOM 959 N VAL A 59 0.745 -1.832 -9.536 1.00 33.42 N ATOM 960 CA VAL A 59 -0.468 -1.269 -8.952 1.00 32.03 C ATOM 961 C VAL A 59 -0.533 0.244 -9.181 1.00 40.22 C ATOM 962 O VAL A 59 -1.600 0.786 -9.477 1.00 62.04 O ATOM 963 CB VAL A 59 -0.615 -1.599 -7.443 1.00 34.01 C ATOM 964 CG1 VAL A 59 0.544 -1.054 -6.624 1.00 31.32 C ATOM 965 CG2 VAL A 59 -1.937 -1.070 -6.909 1.00 12.55 C ATOM 0 H VAL A 59 1.413 -2.210 -8.864 1.00 33.42 H new ATOM 0 HA VAL A 59 -1.308 -1.740 -9.463 1.00 32.03 H new ATOM 0 HB VAL A 59 -0.601 -2.685 -7.345 1.00 34.01 H new ATOM 0 HG11 VAL A 59 0.399 -1.309 -5.574 1.00 31.32 H new ATOM 0 HG12 VAL A 59 1.477 -1.492 -6.978 1.00 31.32 H new ATOM 0 HG13 VAL A 59 0.588 0.030 -6.732 1.00 31.32 H new ATOM 0 HG21 VAL A 59 -2.024 -1.310 -5.849 1.00 12.55 H new ATOM 0 HG22 VAL A 59 -1.976 0.011 -7.040 1.00 12.55 H new ATOM 0 HG23 VAL A 59 -2.760 -1.531 -7.454 1.00 12.55 H new ATOM 975 N LEU A 60 0.612 0.916 -9.091 1.00 34.43 N ATOM 976 CA LEU A 60 0.672 2.356 -9.333 1.00 50.22 C ATOM 977 C LEU A 60 0.366 2.663 -10.796 1.00 31.23 C ATOM 978 O LEU A 60 -0.298 3.648 -11.109 1.00 43.34 O ATOM 979 CB LEU A 60 2.044 2.917 -8.948 1.00 10.14 C ATOM 980 CG LEU A 60 2.434 2.737 -7.480 1.00 13.42 C ATOM 981 CD1 LEU A 60 3.830 3.287 -7.234 1.00 60.42 C ATOM 982 CD2 LEU A 60 1.419 3.412 -6.567 1.00 32.10 C ATOM 0 H LEU A 60 1.507 0.489 -8.853 1.00 34.43 H new ATOM 0 HA LEU A 60 -0.081 2.837 -8.709 1.00 50.22 H new ATOM 0 HB2 LEU A 60 2.801 2.439 -9.569 1.00 10.14 H new ATOM 0 HB3 LEU A 60 2.063 3.981 -9.184 1.00 10.14 H new ATOM 0 HG LEU A 60 2.438 1.671 -7.251 1.00 13.42 H new ATOM 0 HD11 LEU A 60 4.095 3.152 -6.185 1.00 60.42 H new ATOM 0 HD12 LEU A 60 4.546 2.755 -7.860 1.00 60.42 H new ATOM 0 HD13 LEU A 60 3.851 4.349 -7.480 1.00 60.42 H new ATOM 0 HD21 LEU A 60 1.715 3.272 -5.527 1.00 32.10 H new ATOM 0 HD22 LEU A 60 1.379 4.478 -6.793 1.00 32.10 H new ATOM 0 HD23 LEU A 60 0.435 2.970 -6.727 1.00 32.10 H new ATOM 994 N LYS A 61 0.845 1.799 -11.684 1.00 23.34 N ATOM 995 CA LYS A 61 0.560 1.900 -13.102 1.00 40.24 C ATOM 996 C LYS A 61 -0.943 1.788 -13.353 1.00 73.22 C ATOM 997 O LYS A 61 -1.496 2.456 -14.227 1.00 43.40 O ATOM 998 CB LYS A 61 1.316 0.783 -13.822 1.00 15.03 C ATOM 999 CG LYS A 61 0.828 0.494 -15.226 1.00 11.11 C ATOM 1000 CD LYS A 61 1.071 -0.959 -15.585 1.00 52.54 C ATOM 1001 CE LYS A 61 0.339 -1.890 -14.630 1.00 65.11 C ATOM 1002 NZ LYS A 61 0.619 -3.325 -14.898 1.00 2.40 N ATOM 0 H LYS A 61 1.442 1.010 -11.436 1.00 23.34 H new ATOM 0 HA LYS A 61 0.885 2.869 -13.482 1.00 40.24 H new ATOM 0 HB2 LYS A 61 2.373 1.047 -13.866 1.00 15.03 H new ATOM 0 HB3 LYS A 61 1.240 -0.129 -13.230 1.00 15.03 H new ATOM 0 HG2 LYS A 61 -0.236 0.720 -15.301 1.00 11.11 H new ATOM 0 HG3 LYS A 61 1.343 1.141 -15.936 1.00 11.11 H new ATOM 0 HD2 LYS A 61 0.738 -1.145 -16.606 1.00 52.54 H new ATOM 0 HD3 LYS A 61 2.140 -1.170 -15.555 1.00 52.54 H new ATOM 0 HE2 LYS A 61 0.628 -1.653 -13.606 1.00 65.11 H new ATOM 0 HE3 LYS A 61 -0.734 -1.713 -14.708 1.00 65.11 H new ATOM 0 HZ1 LYS A 61 -0.271 -3.863 -14.872 1.00 2.40 H new ATOM 0 HZ2 LYS A 61 1.056 -3.424 -15.836 1.00 2.40 H new ATOM 0 HZ3 LYS A 61 1.267 -3.693 -14.173 1.00 2.40 H new ATOM 1016 N ALA A 62 -1.599 0.950 -12.567 1.00 75.10 N ATOM 1017 CA ALA A 62 -3.034 0.765 -12.688 1.00 55.24 C ATOM 1018 C ALA A 62 -3.787 1.972 -12.136 1.00 23.14 C ATOM 1019 O ALA A 62 -4.653 2.527 -12.809 1.00 72.05 O ATOM 1020 CB ALA A 62 -3.467 -0.508 -11.976 1.00 10.51 C ATOM 0 H ALA A 62 -1.160 0.387 -11.838 1.00 75.10 H new ATOM 0 HA ALA A 62 -3.278 0.670 -13.746 1.00 55.24 H new ATOM 0 HB1 ALA A 62 -4.545 -0.632 -12.076 1.00 10.51 H new ATOM 0 HB2 ALA A 62 -2.960 -1.364 -12.421 1.00 10.51 H new ATOM 0 HB3 ALA A 62 -3.206 -0.441 -10.920 1.00 10.51 H new ATOM 1026 N VAL A 63 -3.440 2.395 -10.926 1.00 24.34 N ATOM 1027 CA VAL A 63 -4.149 3.494 -10.272 1.00 51.14 C ATOM 1028 C VAL A 63 -3.954 4.820 -11.011 1.00 41.53 C ATOM 1029 O VAL A 63 -4.808 5.703 -10.947 1.00 31.13 O ATOM 1030 CB VAL A 63 -3.743 3.655 -8.787 1.00 65.13 C ATOM 1031 CG1 VAL A 63 -4.119 2.414 -7.990 1.00 3.21 C ATOM 1032 CG2 VAL A 63 -2.260 3.952 -8.646 1.00 53.13 C ATOM 0 H VAL A 63 -2.677 1.998 -10.378 1.00 24.34 H new ATOM 0 HA VAL A 63 -5.206 3.230 -10.307 1.00 51.14 H new ATOM 0 HB VAL A 63 -4.292 4.506 -8.384 1.00 65.13 H new ATOM 0 HG11 VAL A 63 -3.825 2.547 -6.949 1.00 3.21 H new ATOM 0 HG12 VAL A 63 -5.196 2.258 -8.046 1.00 3.21 H new ATOM 0 HG13 VAL A 63 -3.605 1.546 -8.404 1.00 3.21 H new ATOM 0 HG21 VAL A 63 -2.009 4.059 -7.591 1.00 53.13 H new ATOM 0 HG22 VAL A 63 -1.683 3.133 -9.075 1.00 53.13 H new ATOM 0 HG23 VAL A 63 -2.023 4.877 -9.171 1.00 53.13 H new ATOM 1042 N MET A 64 -2.842 4.956 -11.726 1.00 3.35 N ATOM 1043 CA MET A 64 -2.580 6.176 -12.484 1.00 70.31 C ATOM 1044 C MET A 64 -3.391 6.201 -13.780 1.00 13.44 C ATOM 1045 O MET A 64 -3.659 7.267 -14.327 1.00 24.41 O ATOM 1046 CB MET A 64 -1.082 6.332 -12.792 1.00 4.42 C ATOM 1047 CG MET A 64 -0.529 5.314 -13.775 1.00 41.14 C ATOM 1048 SD MET A 64 1.205 5.610 -14.185 1.00 14.50 S ATOM 1049 CE MET A 64 1.961 5.534 -12.562 1.00 72.32 C ATOM 0 H MET A 64 -2.114 4.245 -11.797 1.00 3.35 H new ATOM 0 HA MET A 64 -2.890 7.017 -11.864 1.00 70.31 H new ATOM 0 HB2 MET A 64 -0.908 7.332 -13.189 1.00 4.42 H new ATOM 0 HB3 MET A 64 -0.523 6.258 -11.859 1.00 4.42 H new ATOM 0 HG2 MET A 64 -0.633 4.314 -13.353 1.00 41.14 H new ATOM 0 HG3 MET A 64 -1.123 5.338 -14.689 1.00 41.14 H new ATOM 0 HE1 MET A 64 3.044 5.610 -12.661 1.00 72.32 H new ATOM 0 HE2 MET A 64 1.594 6.358 -11.951 1.00 72.32 H new ATOM 0 HE3 MET A 64 1.706 4.587 -12.086 1.00 72.32 H new ATOM 1059 N LYS A 65 -3.787 5.027 -14.268 1.00 11.34 N ATOM 1060 CA LYS A 65 -4.534 4.942 -15.519 1.00 64.02 C ATOM 1061 C LYS A 65 -6.036 4.889 -15.262 1.00 52.35 C ATOM 1062 O LYS A 65 -6.823 5.490 -15.992 1.00 22.33 O ATOM 1063 CB LYS A 65 -4.056 3.753 -16.359 1.00 12.43 C ATOM 1064 CG LYS A 65 -4.395 2.397 -15.795 1.00 71.04 C ATOM 1065 CD LYS A 65 -5.714 1.885 -16.336 1.00 11.42 C ATOM 1066 CE LYS A 65 -6.165 0.698 -15.536 1.00 30.43 C ATOM 1067 NZ LYS A 65 -7.175 -0.120 -16.254 1.00 1.43 N ATOM 0 H LYS A 65 -3.605 4.129 -13.820 1.00 11.34 H new ATOM 0 HA LYS A 65 -4.340 5.848 -16.094 1.00 64.02 H new ATOM 0 HB2 LYS A 65 -4.490 3.834 -17.356 1.00 12.43 H new ATOM 0 HB3 LYS A 65 -2.974 3.821 -16.476 1.00 12.43 H new ATOM 0 HG2 LYS A 65 -3.601 1.691 -16.040 1.00 71.04 H new ATOM 0 HG3 LYS A 65 -4.445 2.456 -14.708 1.00 71.04 H new ATOM 0 HD2 LYS A 65 -6.466 2.672 -16.291 1.00 11.42 H new ATOM 0 HD3 LYS A 65 -5.605 1.608 -17.385 1.00 11.42 H new ATOM 0 HE2 LYS A 65 -5.302 0.076 -15.296 1.00 30.43 H new ATOM 0 HE3 LYS A 65 -6.585 1.040 -14.590 1.00 30.43 H new ATOM 0 HZ1 LYS A 65 -7.454 -0.927 -15.660 1.00 1.43 H new ATOM 0 HZ2 LYS A 65 -8.011 0.463 -16.461 1.00 1.43 H new ATOM 0 HZ3 LYS A 65 -6.768 -0.470 -17.145 1.00 1.43 H new ATOM 1081 N ARG A 66 -6.430 4.180 -14.213 1.00 42.15 N ATOM 1082 CA ARG A 66 -7.844 4.085 -13.847 1.00 11.32 C ATOM 1083 C ARG A 66 -8.247 5.249 -12.945 1.00 3.03 C ATOM 1084 O ARG A 66 -9.403 5.364 -12.538 1.00 52.13 O ATOM 1085 CB ARG A 66 -8.152 2.733 -13.173 1.00 24.55 C ATOM 1086 CG ARG A 66 -7.480 2.518 -11.818 1.00 44.01 C ATOM 1087 CD ARG A 66 -8.350 2.988 -10.660 1.00 21.13 C ATOM 1088 NE ARG A 66 -9.549 2.162 -10.498 1.00 12.13 N ATOM 1089 CZ ARG A 66 -10.762 2.652 -10.241 1.00 73.53 C ATOM 1090 NH1 ARG A 66 -10.951 3.965 -10.179 1.00 62.14 N ATOM 1091 NH2 ARG A 66 -11.791 1.830 -10.063 1.00 11.10 N ATOM 0 H ARG A 66 -5.798 3.664 -13.601 1.00 42.15 H new ATOM 0 HA ARG A 66 -8.434 4.143 -14.761 1.00 11.32 H new ATOM 0 HB2 ARG A 66 -9.231 2.646 -13.044 1.00 24.55 H new ATOM 0 HB3 ARG A 66 -7.845 1.931 -13.845 1.00 24.55 H new ATOM 0 HG2 ARG A 66 -7.252 1.460 -11.692 1.00 44.01 H new ATOM 0 HG3 ARG A 66 -6.531 3.053 -11.797 1.00 44.01 H new ATOM 0 HD2 ARG A 66 -7.768 2.966 -9.738 1.00 21.13 H new ATOM 0 HD3 ARG A 66 -8.644 4.024 -10.826 1.00 21.13 H new ATOM 0 HE ARG A 66 -9.450 1.151 -10.587 1.00 12.13 H new ATOM 0 HH11 ARG A 66 -10.167 4.601 -10.328 1.00 62.14 H new ATOM 0 HH12 ARG A 66 -11.880 4.338 -9.982 1.00 62.14 H new ATOM 0 HH21 ARG A 66 -11.654 0.821 -10.123 1.00 11.10 H new ATOM 0 HH22 ARG A 66 -12.718 2.208 -9.867 1.00 11.10 H new ATOM 1105 N GLY A 67 -7.284 6.101 -12.634 1.00 52.01 N ATOM 1106 CA GLY A 67 -7.550 7.244 -11.790 1.00 71.34 C ATOM 1107 C GLY A 67 -6.731 8.453 -12.186 1.00 15.42 C ATOM 1108 O GLY A 67 -6.930 9.018 -13.265 1.00 35.33 O ATOM 0 H GLY A 67 -6.319 6.020 -12.953 1.00 52.01 H new ATOM 0 HA2 GLY A 67 -8.610 7.493 -11.843 1.00 71.34 H new ATOM 0 HA3 GLY A 67 -7.334 6.985 -10.753 1.00 71.34 H new ATOM 1112 N ALA A 68 -5.797 8.834 -11.330 1.00 54.34 N ATOM 1113 CA ALA A 68 -4.987 10.020 -11.559 1.00 12.10 C ATOM 1114 C ALA A 68 -3.576 9.824 -11.021 1.00 1.14 C ATOM 1115 O ALA A 68 -3.381 9.163 -9.998 1.00 12.10 O ATOM 1116 CB ALA A 68 -5.638 11.235 -10.910 1.00 11.34 C ATOM 0 H ALA A 68 -5.580 8.337 -10.466 1.00 54.34 H new ATOM 0 HA ALA A 68 -4.921 10.188 -12.634 1.00 12.10 H new ATOM 0 HB1 ALA A 68 -5.022 12.116 -11.088 1.00 11.34 H new ATOM 0 HB2 ALA A 68 -6.628 11.391 -11.340 1.00 11.34 H new ATOM 0 HB3 ALA A 68 -5.731 11.068 -9.837 1.00 11.34 H new ATOM 1122 N PRO A 69 -2.571 10.402 -11.701 1.00 21.45 N ATOM 1123 CA PRO A 69 -1.168 10.303 -11.280 1.00 13.42 C ATOM 1124 C PRO A 69 -0.917 10.930 -9.908 1.00 25.34 C ATOM 1125 O PRO A 69 0.010 10.533 -9.194 1.00 64.25 O ATOM 1126 CB PRO A 69 -0.401 11.061 -12.371 1.00 25.10 C ATOM 1127 CG PRO A 69 -1.419 11.920 -13.044 1.00 10.22 C ATOM 1128 CD PRO A 69 -2.719 11.175 -12.947 1.00 11.13 C ATOM 0 HA PRO A 69 -0.856 9.264 -11.172 1.00 13.42 H new ATOM 0 HB2 PRO A 69 0.400 11.663 -11.942 1.00 25.10 H new ATOM 0 HB3 PRO A 69 0.061 10.372 -13.078 1.00 25.10 H new ATOM 0 HG2 PRO A 69 -1.490 12.893 -12.559 1.00 10.22 H new ATOM 0 HG3 PRO A 69 -1.150 12.101 -14.085 1.00 10.22 H new ATOM 0 HD2 PRO A 69 -3.570 11.854 -12.901 1.00 11.13 H new ATOM 0 HD3 PRO A 69 -2.876 10.525 -13.808 1.00 11.13 H new ATOM 1136 N SER A 70 -1.748 11.899 -9.537 1.00 44.50 N ATOM 1137 CA SER A 70 -1.639 12.535 -8.232 1.00 11.42 C ATOM 1138 C SER A 70 -2.037 11.548 -7.136 1.00 61.31 C ATOM 1139 O SER A 70 -1.507 11.583 -6.027 1.00 64.32 O ATOM 1140 CB SER A 70 -2.511 13.794 -8.168 1.00 2.43 C ATOM 1141 OG SER A 70 -2.301 14.500 -6.957 1.00 72.05 O ATOM 0 H SER A 70 -2.502 12.259 -10.121 1.00 44.50 H new ATOM 0 HA SER A 70 -0.603 12.835 -8.075 1.00 11.42 H new ATOM 0 HB2 SER A 70 -2.282 14.442 -9.014 1.00 2.43 H new ATOM 0 HB3 SER A 70 -3.562 13.517 -8.253 1.00 2.43 H new ATOM 0 HG SER A 70 -2.868 15.299 -6.942 1.00 72.05 H new ATOM 1147 N ILE A 71 -2.959 10.651 -7.460 1.00 64.22 N ATOM 1148 CA ILE A 71 -3.374 9.619 -6.525 1.00 22.20 C ATOM 1149 C ILE A 71 -2.301 8.540 -6.442 1.00 23.12 C ATOM 1150 O ILE A 71 -2.004 8.020 -5.368 1.00 5.31 O ATOM 1151 CB ILE A 71 -4.721 8.989 -6.946 1.00 64.13 C ATOM 1152 CG1 ILE A 71 -5.788 10.080 -7.090 1.00 52.01 C ATOM 1153 CG2 ILE A 71 -5.160 7.933 -5.937 1.00 22.40 C ATOM 1154 CD1 ILE A 71 -7.121 9.569 -7.593 1.00 34.54 C ATOM 0 H ILE A 71 -3.432 10.619 -8.363 1.00 64.22 H new ATOM 0 HA ILE A 71 -3.508 10.080 -5.546 1.00 22.20 H new ATOM 0 HB ILE A 71 -4.592 8.499 -7.911 1.00 64.13 H new ATOM 0 HG12 ILE A 71 -5.935 10.561 -6.123 1.00 52.01 H new ATOM 0 HG13 ILE A 71 -5.421 10.845 -7.774 1.00 52.01 H new ATOM 0 HG21 ILE A 71 -6.110 7.502 -6.252 1.00 22.40 H new ATOM 0 HG22 ILE A 71 -4.406 7.148 -5.881 1.00 22.40 H new ATOM 0 HG23 ILE A 71 -5.278 8.394 -4.956 1.00 22.40 H new ATOM 0 HD11 ILE A 71 -7.824 10.399 -7.669 1.00 34.54 H new ATOM 0 HD12 ILE A 71 -6.989 9.114 -8.575 1.00 34.54 H new ATOM 0 HD13 ILE A 71 -7.511 8.825 -6.898 1.00 34.54 H new ATOM 1166 N ALA A 72 -1.701 8.237 -7.591 1.00 63.31 N ATOM 1167 CA ALA A 72 -0.663 7.215 -7.680 1.00 45.23 C ATOM 1168 C ALA A 72 0.497 7.503 -6.729 1.00 73.34 C ATOM 1169 O ALA A 72 0.912 6.633 -5.964 1.00 1.11 O ATOM 1170 CB ALA A 72 -0.156 7.096 -9.112 1.00 4.13 C ATOM 0 H ALA A 72 -1.919 8.689 -8.479 1.00 63.31 H new ATOM 0 HA ALA A 72 -1.109 6.266 -7.380 1.00 45.23 H new ATOM 0 HB1 ALA A 72 0.618 6.330 -9.162 1.00 4.13 H new ATOM 0 HB2 ALA A 72 -0.982 6.821 -9.769 1.00 4.13 H new ATOM 0 HB3 ALA A 72 0.259 8.052 -9.432 1.00 4.13 H new ATOM 1176 N ASN A 73 1.012 8.729 -6.761 1.00 5.32 N ATOM 1177 CA ASN A 73 2.153 9.082 -5.921 1.00 4.43 C ATOM 1178 C ASN A 73 1.741 9.144 -4.452 1.00 21.12 C ATOM 1179 O ASN A 73 2.539 8.860 -3.559 1.00 20.34 O ATOM 1180 CB ASN A 73 2.787 10.414 -6.354 1.00 15.44 C ATOM 1181 CG ASN A 73 1.972 11.638 -5.973 1.00 10.42 C ATOM 1182 OD1 ASN A 73 2.064 12.134 -4.852 1.00 14.52 O ATOM 1183 ND2 ASN A 73 1.200 12.156 -6.912 1.00 11.22 N ATOM 0 H ASN A 73 0.664 9.485 -7.350 1.00 5.32 H new ATOM 0 HA ASN A 73 2.903 8.301 -6.044 1.00 4.43 H new ATOM 0 HB2 ASN A 73 3.777 10.496 -5.906 1.00 15.44 H new ATOM 0 HB3 ASN A 73 2.926 10.404 -7.435 1.00 15.44 H new ATOM 0 HD21 ASN A 73 0.655 12.996 -6.718 1.00 11.22 H new ATOM 0 HD22 ASN A 73 1.149 11.716 -7.831 1.00 11.22 H new ATOM 1190 N ASP A 74 0.485 9.498 -4.213 1.00 32.21 N ATOM 1191 CA ASP A 74 -0.044 9.575 -2.859 1.00 0.13 C ATOM 1192 C ASP A 74 -0.155 8.180 -2.250 1.00 73.43 C ATOM 1193 O ASP A 74 0.224 7.963 -1.096 1.00 13.55 O ATOM 1194 CB ASP A 74 -1.405 10.270 -2.858 1.00 53.15 C ATOM 1195 CG ASP A 74 -2.009 10.363 -1.471 1.00 12.22 C ATOM 1196 OD1 ASP A 74 -1.687 11.320 -0.738 1.00 11.20 O ATOM 1197 OD2 ASP A 74 -2.815 9.483 -1.110 1.00 4.42 O ATOM 0 H ASP A 74 -0.187 9.737 -4.942 1.00 32.21 H new ATOM 0 HA ASP A 74 0.644 10.162 -2.251 1.00 0.13 H new ATOM 0 HB2 ASP A 74 -1.297 11.273 -3.272 1.00 53.15 H new ATOM 0 HB3 ASP A 74 -2.087 9.727 -3.512 1.00 53.15 H new ATOM 1202 N THR A 75 -0.655 7.235 -3.040 1.00 23.04 N ATOM 1203 CA THR A 75 -0.755 5.846 -2.615 1.00 22.12 C ATOM 1204 C THR A 75 0.633 5.248 -2.380 1.00 72.43 C ATOM 1205 O THR A 75 0.822 4.443 -1.468 1.00 64.33 O ATOM 1206 CB THR A 75 -1.530 5.005 -3.651 1.00 74.33 C ATOM 1207 OG1 THR A 75 -2.838 5.566 -3.843 1.00 13.33 O ATOM 1208 CG2 THR A 75 -1.651 3.555 -3.201 1.00 21.04 C ATOM 0 H THR A 75 -0.999 7.409 -3.984 1.00 23.04 H new ATOM 0 HA THR A 75 -1.306 5.825 -1.674 1.00 22.12 H new ATOM 0 HB THR A 75 -0.979 5.024 -4.591 1.00 74.33 H new ATOM 0 HG1 THR A 75 -3.510 4.854 -3.794 1.00 13.33 H new ATOM 0 HG21 THR A 75 -2.202 2.986 -3.950 1.00 21.04 H new ATOM 0 HG22 THR A 75 -0.656 3.127 -3.080 1.00 21.04 H new ATOM 0 HG23 THR A 75 -2.182 3.512 -2.250 1.00 21.04 H new ATOM 1216 N LEU A 76 1.607 5.661 -3.191 1.00 41.15 N ATOM 1217 CA LEU A 76 2.997 5.245 -3.000 1.00 55.13 C ATOM 1218 C LEU A 76 3.465 5.652 -1.603 1.00 75.54 C ATOM 1219 O LEU A 76 4.092 4.871 -0.887 1.00 0.13 O ATOM 1220 CB LEU A 76 3.894 5.873 -4.088 1.00 0.03 C ATOM 1221 CG LEU A 76 5.364 5.413 -4.121 1.00 11.05 C ATOM 1222 CD1 LEU A 76 5.956 5.656 -5.502 1.00 41.32 C ATOM 1223 CD2 LEU A 76 6.195 6.146 -3.073 1.00 12.23 C ATOM 0 H LEU A 76 1.460 6.283 -3.986 1.00 41.15 H new ATOM 0 HA LEU A 76 3.068 4.161 -3.089 1.00 55.13 H new ATOM 0 HB2 LEU A 76 3.449 5.661 -5.060 1.00 0.03 H new ATOM 0 HB3 LEU A 76 3.879 6.955 -3.959 1.00 0.03 H new ATOM 0 HG LEU A 76 5.387 4.347 -3.895 1.00 11.05 H new ATOM 0 HD11 LEU A 76 6.995 5.328 -5.515 1.00 41.32 H new ATOM 0 HD12 LEU A 76 5.389 5.095 -6.245 1.00 41.32 H new ATOM 0 HD13 LEU A 76 5.908 6.719 -5.736 1.00 41.32 H new ATOM 0 HD21 LEU A 76 7.228 5.800 -3.120 1.00 12.23 H new ATOM 0 HD22 LEU A 76 6.162 7.218 -3.267 1.00 12.23 H new ATOM 0 HD23 LEU A 76 5.790 5.944 -2.081 1.00 12.23 H new ATOM 1235 N ARG A 77 3.134 6.878 -1.223 1.00 41.25 N ATOM 1236 CA ARG A 77 3.462 7.397 0.099 1.00 13.23 C ATOM 1237 C ARG A 77 2.750 6.602 1.189 1.00 45.03 C ATOM 1238 O ARG A 77 3.327 6.306 2.236 1.00 12.43 O ATOM 1239 CB ARG A 77 3.069 8.870 0.182 1.00 11.41 C ATOM 1240 CG ARG A 77 3.922 9.773 -0.691 1.00 11.41 C ATOM 1241 CD ARG A 77 5.350 9.818 -0.185 1.00 53.31 C ATOM 1242 NE ARG A 77 6.200 10.708 -0.978 1.00 55.31 N ATOM 1243 CZ ARG A 77 6.194 12.039 -0.885 1.00 32.41 C ATOM 1244 NH1 ARG A 77 5.344 12.656 -0.071 1.00 45.23 N ATOM 1245 NH2 ARG A 77 7.041 12.750 -1.616 1.00 1.41 N ATOM 0 H ARG A 77 2.633 7.538 -1.818 1.00 41.25 H new ATOM 0 HA ARG A 77 4.536 7.298 0.255 1.00 13.23 H new ATOM 0 HB2 ARG A 77 2.024 8.976 -0.110 1.00 11.41 H new ATOM 0 HB3 ARG A 77 3.146 9.201 1.218 1.00 11.41 H new ATOM 0 HG2 ARG A 77 3.907 9.412 -1.719 1.00 11.41 H new ATOM 0 HG3 ARG A 77 3.503 10.779 -0.700 1.00 11.41 H new ATOM 0 HD2 ARG A 77 5.353 10.149 0.854 1.00 53.31 H new ATOM 0 HD3 ARG A 77 5.769 8.812 -0.201 1.00 53.31 H new ATOM 0 HE ARG A 77 6.841 10.281 -1.647 1.00 55.31 H new ATOM 0 HH11 ARG A 77 4.688 12.112 0.490 1.00 45.23 H new ATOM 0 HH12 ARG A 77 5.347 13.674 -0.007 1.00 45.23 H new ATOM 0 HH21 ARG A 77 7.692 12.279 -2.245 1.00 1.41 H new ATOM 0 HH22 ARG A 77 7.042 13.768 -1.550 1.00 1.41 H new ATOM 1259 N TRP A 78 1.496 6.265 0.927 1.00 24.34 N ATOM 1260 CA TRP A 78 0.699 5.457 1.845 1.00 12.44 C ATOM 1261 C TRP A 78 1.338 4.076 2.034 1.00 55.14 C ATOM 1262 O TRP A 78 1.445 3.575 3.155 1.00 33.31 O ATOM 1263 CB TRP A 78 -0.729 5.315 1.308 1.00 51.34 C ATOM 1264 CG TRP A 78 -1.685 4.700 2.286 1.00 15.42 C ATOM 1265 CD1 TRP A 78 -1.947 3.372 2.456 1.00 33.03 C ATOM 1266 CD2 TRP A 78 -2.519 5.396 3.220 1.00 44.45 C ATOM 1267 NE1 TRP A 78 -2.887 3.199 3.443 1.00 73.14 N ATOM 1268 CE2 TRP A 78 -3.255 4.427 3.926 1.00 3.51 C ATOM 1269 CE3 TRP A 78 -2.711 6.747 3.528 1.00 3.14 C ATOM 1270 CZ2 TRP A 78 -4.168 4.765 4.918 1.00 45.02 C ATOM 1271 CZ3 TRP A 78 -3.620 7.080 4.514 1.00 71.04 C ATOM 1272 CH2 TRP A 78 -4.336 6.092 5.202 1.00 1.41 C ATOM 0 H TRP A 78 1.002 6.541 0.078 1.00 24.34 H new ATOM 0 HA TRP A 78 0.664 5.955 2.814 1.00 12.44 H new ATOM 0 HB2 TRP A 78 -1.099 6.300 1.022 1.00 51.34 H new ATOM 0 HB3 TRP A 78 -0.708 4.707 0.403 1.00 51.34 H new ATOM 0 HD1 TRP A 78 -1.483 2.573 1.896 1.00 33.03 H new ATOM 0 HE1 TRP A 78 -3.252 2.302 3.764 1.00 73.14 H new ATOM 0 HE3 TRP A 78 -2.160 7.515 3.005 1.00 3.14 H new ATOM 0 HZ2 TRP A 78 -4.726 4.006 5.446 1.00 45.02 H new ATOM 0 HZ3 TRP A 78 -3.781 8.120 4.758 1.00 71.04 H new ATOM 0 HH2 TRP A 78 -5.035 6.384 5.972 1.00 1.41 H new ATOM 1283 N LEU A 79 1.770 3.476 0.927 1.00 15.12 N ATOM 1284 CA LEU A 79 2.470 2.192 0.960 1.00 50.32 C ATOM 1285 C LEU A 79 3.718 2.287 1.827 1.00 60.54 C ATOM 1286 O LEU A 79 4.007 1.387 2.620 1.00 33.31 O ATOM 1287 CB LEU A 79 2.868 1.757 -0.456 1.00 30.21 C ATOM 1288 CG LEU A 79 1.707 1.448 -1.396 1.00 34.43 C ATOM 1289 CD1 LEU A 79 2.202 1.291 -2.823 1.00 32.02 C ATOM 1290 CD2 LEU A 79 0.983 0.188 -0.951 1.00 21.02 C ATOM 0 H LEU A 79 1.647 3.861 -0.010 1.00 15.12 H new ATOM 0 HA LEU A 79 1.792 1.451 1.385 1.00 50.32 H new ATOM 0 HB2 LEU A 79 3.475 2.544 -0.903 1.00 30.21 H new ATOM 0 HB3 LEU A 79 3.499 0.871 -0.382 1.00 30.21 H new ATOM 0 HG LEU A 79 1.008 2.284 -1.361 1.00 34.43 H new ATOM 0 HD11 LEU A 79 1.359 1.071 -3.478 1.00 32.02 H new ATOM 0 HD12 LEU A 79 2.681 2.215 -3.146 1.00 32.02 H new ATOM 0 HD13 LEU A 79 2.922 0.474 -2.871 1.00 32.02 H new ATOM 0 HD21 LEU A 79 0.158 -0.017 -1.633 1.00 21.02 H new ATOM 0 HD22 LEU A 79 1.677 -0.652 -0.958 1.00 21.02 H new ATOM 0 HD23 LEU A 79 0.594 0.329 0.057 1.00 21.02 H new ATOM 1302 N LYS A 80 4.437 3.393 1.679 1.00 52.02 N ATOM 1303 CA LYS A 80 5.653 3.639 2.417 1.00 12.22 C ATOM 1304 C LYS A 80 5.371 3.622 3.920 1.00 41.33 C ATOM 1305 O LYS A 80 6.170 3.107 4.700 1.00 63.33 O ATOM 1306 CB LYS A 80 6.230 4.985 1.962 1.00 33.44 C ATOM 1307 CG LYS A 80 7.660 5.233 2.388 1.00 33.21 C ATOM 1308 CD LYS A 80 7.750 5.681 3.833 1.00 35.52 C ATOM 1309 CE LYS A 80 7.151 7.065 4.031 1.00 1.33 C ATOM 1310 NZ LYS A 80 7.397 7.590 5.399 1.00 33.35 N ATOM 0 H LYS A 80 4.184 4.145 1.037 1.00 52.02 H new ATOM 0 HA LYS A 80 6.385 2.856 2.220 1.00 12.22 H new ATOM 0 HB2 LYS A 80 6.174 5.041 0.875 1.00 33.44 H new ATOM 0 HB3 LYS A 80 5.603 5.786 2.355 1.00 33.44 H new ATOM 0 HG2 LYS A 80 8.242 4.321 2.254 1.00 33.21 H new ATOM 0 HG3 LYS A 80 8.104 5.992 1.744 1.00 33.21 H new ATOM 0 HD2 LYS A 80 7.230 4.965 4.469 1.00 35.52 H new ATOM 0 HD3 LYS A 80 8.794 5.688 4.148 1.00 35.52 H new ATOM 0 HE2 LYS A 80 7.575 7.751 3.298 1.00 1.33 H new ATOM 0 HE3 LYS A 80 6.078 7.025 3.846 1.00 1.33 H new ATOM 0 HZ1 LYS A 80 6.972 8.535 5.490 1.00 33.35 H new ATOM 0 HZ2 LYS A 80 6.970 6.950 6.099 1.00 33.35 H new ATOM 0 HZ3 LYS A 80 8.421 7.654 5.567 1.00 33.35 H new ATOM 1324 N ARG A 81 4.223 4.169 4.313 1.00 4.31 N ATOM 1325 CA ARG A 81 3.813 4.158 5.714 1.00 64.25 C ATOM 1326 C ARG A 81 3.616 2.727 6.203 1.00 25.21 C ATOM 1327 O ARG A 81 4.093 2.354 7.275 1.00 44.22 O ATOM 1328 CB ARG A 81 2.513 4.942 5.915 1.00 42.14 C ATOM 1329 CG ARG A 81 2.624 6.431 5.649 1.00 32.24 C ATOM 1330 CD ARG A 81 1.291 7.124 5.901 1.00 64.41 C ATOM 1331 NE ARG A 81 1.397 8.582 5.832 1.00 11.23 N ATOM 1332 CZ ARG A 81 0.957 9.396 6.793 1.00 73.11 C ATOM 1333 NH1 ARG A 81 0.351 8.891 7.867 1.00 61.11 N ATOM 1334 NH2 ARG A 81 1.108 10.714 6.677 1.00 21.42 N ATOM 0 H ARG A 81 3.562 4.624 3.683 1.00 4.31 H new ATOM 0 HA ARG A 81 4.606 4.634 6.291 1.00 64.25 H new ATOM 0 HB2 ARG A 81 1.748 4.526 5.259 1.00 42.14 H new ATOM 0 HB3 ARG A 81 2.170 4.794 6.939 1.00 42.14 H new ATOM 0 HG2 ARG A 81 3.392 6.864 6.291 1.00 32.24 H new ATOM 0 HG3 ARG A 81 2.938 6.599 4.619 1.00 32.24 H new ATOM 0 HD2 ARG A 81 0.562 6.781 5.167 1.00 64.41 H new ATOM 0 HD3 ARG A 81 0.915 6.836 6.883 1.00 64.41 H new ATOM 0 HE ARG A 81 1.830 8.997 5.007 1.00 11.23 H new ATOM 0 HH11 ARG A 81 0.224 7.883 7.954 1.00 61.11 H new ATOM 0 HH12 ARG A 81 0.014 9.513 8.602 1.00 61.11 H new ATOM 0 HH21 ARG A 81 1.561 11.105 5.851 1.00 21.42 H new ATOM 0 HH22 ARG A 81 0.770 11.333 7.414 1.00 21.42 H new ATOM 1348 N MET A 82 2.916 1.930 5.402 1.00 2.14 N ATOM 1349 CA MET A 82 2.619 0.548 5.759 1.00 34.51 C ATOM 1350 C MET A 82 3.899 -0.273 5.880 1.00 14.04 C ATOM 1351 O MET A 82 4.083 -1.011 6.851 1.00 14.24 O ATOM 1352 CB MET A 82 1.693 -0.088 4.718 1.00 44.42 C ATOM 1353 CG MET A 82 1.277 -1.510 5.067 1.00 64.32 C ATOM 1354 SD MET A 82 0.271 -2.283 3.783 1.00 11.11 S ATOM 1355 CE MET A 82 1.431 -2.326 2.416 1.00 11.31 C ATOM 0 H MET A 82 2.543 2.219 4.498 1.00 2.14 H new ATOM 0 HA MET A 82 2.117 0.554 6.727 1.00 34.51 H new ATOM 0 HB2 MET A 82 0.800 0.528 4.612 1.00 44.42 H new ATOM 0 HB3 MET A 82 2.195 -0.091 3.750 1.00 44.42 H new ATOM 0 HG2 MET A 82 2.169 -2.113 5.235 1.00 64.32 H new ATOM 0 HG3 MET A 82 0.718 -1.500 6.003 1.00 64.32 H new ATOM 0 HE1 MET A 82 1.097 -3.056 1.678 1.00 11.31 H new ATOM 0 HE2 MET A 82 1.485 -1.341 1.953 1.00 11.31 H new ATOM 0 HE3 MET A 82 2.417 -2.608 2.785 1.00 11.31 H new ATOM 1365 N PHE A 83 4.785 -0.140 4.898 1.00 73.51 N ATOM 1366 CA PHE A 83 6.048 -0.868 4.913 1.00 62.42 C ATOM 1367 C PHE A 83 6.915 -0.417 6.081 1.00 12.14 C ATOM 1368 O PHE A 83 7.551 -1.237 6.732 1.00 53.04 O ATOM 1369 CB PHE A 83 6.807 -0.695 3.594 1.00 45.11 C ATOM 1370 CG PHE A 83 6.140 -1.356 2.421 1.00 41.01 C ATOM 1371 CD1 PHE A 83 5.798 -2.698 2.467 1.00 32.34 C ATOM 1372 CD2 PHE A 83 5.861 -0.636 1.273 1.00 25.11 C ATOM 1373 CE1 PHE A 83 5.186 -3.307 1.389 1.00 22.51 C ATOM 1374 CE2 PHE A 83 5.251 -1.240 0.191 1.00 62.43 C ATOM 1375 CZ PHE A 83 4.914 -2.577 0.249 1.00 13.15 C ATOM 0 H PHE A 83 4.652 0.462 4.086 1.00 73.51 H new ATOM 0 HA PHE A 83 5.817 -1.926 5.035 1.00 62.42 H new ATOM 0 HB2 PHE A 83 6.917 0.369 3.386 1.00 45.11 H new ATOM 0 HB3 PHE A 83 7.811 -1.103 3.707 1.00 45.11 H new ATOM 0 HD1 PHE A 83 6.012 -3.274 3.355 1.00 32.34 H new ATOM 0 HD2 PHE A 83 6.123 0.410 1.222 1.00 25.11 H new ATOM 0 HE1 PHE A 83 4.921 -4.353 1.438 1.00 22.51 H new ATOM 0 HE2 PHE A 83 5.038 -0.667 -0.699 1.00 62.43 H new ATOM 0 HZ PHE A 83 4.438 -3.052 -0.596 1.00 13.15 H new ATOM 1385 N ASN A 84 6.912 0.883 6.361 1.00 15.15 N ATOM 1386 CA ASN A 84 7.679 1.433 7.480 1.00 44.44 C ATOM 1387 C ASN A 84 7.275 0.772 8.798 1.00 62.30 C ATOM 1388 O ASN A 84 8.115 0.537 9.671 1.00 42.03 O ATOM 1389 CB ASN A 84 7.494 2.953 7.562 1.00 11.25 C ATOM 1390 CG ASN A 84 8.133 3.558 8.801 1.00 32.35 C ATOM 1391 OD1 ASN A 84 9.337 3.812 8.836 1.00 21.52 O ATOM 1392 ND2 ASN A 84 7.320 3.823 9.812 1.00 15.33 N ATOM 0 H ASN A 84 6.387 1.578 5.829 1.00 15.15 H new ATOM 0 HA ASN A 84 8.734 1.220 7.305 1.00 44.44 H new ATOM 0 HB2 ASN A 84 7.925 3.415 6.674 1.00 11.25 H new ATOM 0 HB3 ASN A 84 6.429 3.186 7.558 1.00 11.25 H new ATOM 0 HD21 ASN A 84 7.686 4.254 10.661 1.00 15.33 H new ATOM 0 HD22 ASN A 84 6.328 3.596 9.742 1.00 15.33 H new ATOM 1399 N TYR A 85 5.993 0.454 8.928 1.00 42.22 N ATOM 1400 CA TYR A 85 5.497 -0.228 10.113 1.00 54.20 C ATOM 1401 C TYR A 85 6.085 -1.634 10.202 1.00 41.22 C ATOM 1402 O TYR A 85 6.348 -2.134 11.291 1.00 24.12 O ATOM 1403 CB TYR A 85 3.965 -0.286 10.107 1.00 73.42 C ATOM 1404 CG TYR A 85 3.385 -0.853 11.386 1.00 24.23 C ATOM 1405 CD1 TYR A 85 3.412 -0.116 12.566 1.00 23.32 C ATOM 1406 CD2 TYR A 85 2.825 -2.122 11.418 1.00 21.14 C ATOM 1407 CE1 TYR A 85 2.898 -0.631 13.741 1.00 62.04 C ATOM 1408 CE2 TYR A 85 2.306 -2.642 12.589 1.00 10.15 C ATOM 1409 CZ TYR A 85 2.347 -1.894 13.748 1.00 25.23 C ATOM 1410 OH TYR A 85 1.838 -2.410 14.917 1.00 32.22 O ATOM 0 H TYR A 85 5.280 0.658 8.228 1.00 42.22 H new ATOM 0 HA TYR A 85 5.812 0.337 10.990 1.00 54.20 H new ATOM 0 HB2 TYR A 85 3.570 0.718 9.950 1.00 73.42 H new ATOM 0 HB3 TYR A 85 3.634 -0.894 9.265 1.00 73.42 H new ATOM 0 HD1 TYR A 85 3.842 0.875 12.564 1.00 23.32 H new ATOM 0 HD2 TYR A 85 2.794 -2.713 10.514 1.00 21.14 H new ATOM 0 HE1 TYR A 85 2.928 -0.047 14.649 1.00 62.04 H new ATOM 0 HE2 TYR A 85 1.870 -3.630 12.597 1.00 10.15 H new ATOM 0 HH TYR A 85 1.504 -1.680 15.479 1.00 32.22 H new ATOM 1420 N ALA A 86 6.304 -2.261 9.054 1.00 24.24 N ATOM 1421 CA ALA A 86 6.888 -3.594 9.010 1.00 45.34 C ATOM 1422 C ALA A 86 8.333 -3.576 9.509 1.00 22.41 C ATOM 1423 O ALA A 86 8.811 -4.557 10.083 1.00 74.35 O ATOM 1424 CB ALA A 86 6.816 -4.162 7.604 1.00 71.31 C ATOM 0 H ALA A 86 6.085 -1.867 8.139 1.00 24.24 H new ATOM 0 HA ALA A 86 6.310 -4.238 9.673 1.00 45.34 H new ATOM 0 HB1 ALA A 86 7.257 -5.159 7.591 1.00 71.31 H new ATOM 0 HB2 ALA A 86 5.774 -4.222 7.289 1.00 71.31 H new ATOM 0 HB3 ALA A 86 7.365 -3.513 6.921 1.00 71.31 H new ATOM 1430 N ILE A 87 9.020 -2.456 9.289 1.00 4.51 N ATOM 1431 CA ILE A 87 10.377 -2.279 9.800 1.00 14.51 C ATOM 1432 C ILE A 87 10.374 -2.208 11.326 1.00 25.41 C ATOM 1433 O ILE A 87 11.153 -2.900 11.986 1.00 30.41 O ATOM 1434 CB ILE A 87 11.087 -1.021 9.209 1.00 62.01 C ATOM 1435 CG1 ILE A 87 11.576 -1.271 7.772 1.00 11.11 C ATOM 1436 CG2 ILE A 87 12.263 -0.598 10.082 1.00 30.02 C ATOM 1437 CD1 ILE A 87 10.482 -1.495 6.757 1.00 54.15 C ATOM 0 H ILE A 87 8.660 -1.660 8.762 1.00 4.51 H new ATOM 0 HA ILE A 87 10.945 -3.152 9.477 1.00 14.51 H new ATOM 0 HB ILE A 87 10.350 -0.218 9.189 1.00 62.01 H new ATOM 0 HG12 ILE A 87 12.176 -0.418 7.455 1.00 11.11 H new ATOM 0 HG13 ILE A 87 12.233 -2.141 7.774 1.00 11.11 H new ATOM 0 HG21 ILE A 87 12.741 0.281 9.648 1.00 30.02 H new ATOM 0 HG22 ILE A 87 11.905 -0.359 11.084 1.00 30.02 H new ATOM 0 HG23 ILE A 87 12.985 -1.412 10.139 1.00 30.02 H new ATOM 0 HD11 ILE A 87 10.925 -1.662 5.775 1.00 54.15 H new ATOM 0 HD12 ILE A 87 9.894 -2.367 7.043 1.00 54.15 H new ATOM 0 HD13 ILE A 87 9.836 -0.618 6.719 1.00 54.15 H new ATOM 1449 N LYS A 88 9.481 -1.399 11.896 1.00 12.42 N ATOM 1450 CA LYS A 88 9.385 -1.299 13.351 1.00 22.02 C ATOM 1451 C LYS A 88 8.769 -2.569 13.938 1.00 23.42 C ATOM 1452 O LYS A 88 8.926 -2.856 15.124 1.00 1.54 O ATOM 1453 CB LYS A 88 8.602 -0.051 13.785 1.00 3.20 C ATOM 1454 CG LYS A 88 7.196 0.043 13.226 1.00 50.21 C ATOM 1455 CD LYS A 88 6.479 1.282 13.740 1.00 71.31 C ATOM 1456 CE LYS A 88 6.166 1.177 15.228 1.00 32.15 C ATOM 1457 NZ LYS A 88 5.612 2.446 15.774 1.00 43.04 N ATOM 0 H LYS A 88 8.824 -0.812 11.382 1.00 12.42 H new ATOM 0 HA LYS A 88 10.396 -1.196 13.744 1.00 22.02 H new ATOM 0 HB2 LYS A 88 8.547 -0.034 14.873 1.00 3.20 H new ATOM 0 HB3 LYS A 88 9.159 0.835 13.480 1.00 3.20 H new ATOM 0 HG2 LYS A 88 7.236 0.069 12.137 1.00 50.21 H new ATOM 0 HG3 LYS A 88 6.632 -0.848 13.503 1.00 50.21 H new ATOM 0 HD2 LYS A 88 7.098 2.161 13.560 1.00 71.31 H new ATOM 0 HD3 LYS A 88 5.553 1.424 13.183 1.00 71.31 H new ATOM 0 HE2 LYS A 88 5.452 0.370 15.392 1.00 32.15 H new ATOM 0 HE3 LYS A 88 7.074 0.915 15.771 1.00 32.15 H new ATOM 0 HZ1 LYS A 88 5.414 2.330 16.788 1.00 43.04 H new ATOM 0 HZ2 LYS A 88 6.303 3.212 15.642 1.00 43.04 H new ATOM 0 HZ3 LYS A 88 4.732 2.684 15.274 1.00 43.04 H new ATOM 1471 N ARG A 89 8.076 -3.328 13.091 1.00 14.24 N ATOM 1472 CA ARG A 89 7.574 -4.651 13.458 1.00 51.45 C ATOM 1473 C ARG A 89 8.700 -5.676 13.422 1.00 75.14 C ATOM 1474 O ARG A 89 8.546 -6.806 13.887 1.00 11.42 O ATOM 1475 CB ARG A 89 6.458 -5.080 12.502 1.00 32.53 C ATOM 1476 CG ARG A 89 5.069 -4.949 13.091 1.00 14.13 C ATOM 1477 CD ARG A 89 4.897 -5.885 14.272 1.00 34.31 C ATOM 1478 NE ARG A 89 3.565 -5.807 14.859 1.00 43.34 N ATOM 1479 CZ ARG A 89 3.327 -5.921 16.164 1.00 4.20 C ATOM 1480 NH1 ARG A 89 4.332 -6.056 17.025 1.00 14.04 N ATOM 1481 NH2 ARG A 89 2.084 -5.898 16.613 1.00 52.24 N ATOM 0 H ARG A 89 7.848 -3.046 12.138 1.00 14.24 H new ATOM 0 HA ARG A 89 7.176 -4.597 14.471 1.00 51.45 H new ATOM 0 HB2 ARG A 89 6.517 -4.478 11.595 1.00 32.53 H new ATOM 0 HB3 ARG A 89 6.622 -6.117 12.208 1.00 32.53 H new ATOM 0 HG2 ARG A 89 4.899 -3.920 13.408 1.00 14.13 H new ATOM 0 HG3 ARG A 89 4.323 -5.175 12.329 1.00 14.13 H new ATOM 0 HD2 ARG A 89 5.089 -6.909 13.951 1.00 34.31 H new ATOM 0 HD3 ARG A 89 5.640 -5.645 15.033 1.00 34.31 H new ATOM 0 HE ARG A 89 2.772 -5.657 14.236 1.00 43.34 H new ATOM 0 HH11 ARG A 89 5.294 -6.073 16.687 1.00 14.04 H new ATOM 0 HH12 ARG A 89 4.140 -6.143 18.023 1.00 14.04 H new ATOM 0 HH21 ARG A 89 1.308 -5.793 15.960 1.00 52.24 H new ATOM 0 HH22 ARG A 89 1.901 -5.985 17.613 1.00 52.24 H new ATOM 1495 N HIS A 90 9.824 -5.264 12.838 1.00 21.11 N ATOM 1496 CA HIS A 90 11.035 -6.083 12.753 1.00 43.12 C ATOM 1497 C HIS A 90 10.841 -7.266 11.811 1.00 22.21 C ATOM 1498 O HIS A 90 11.612 -8.229 11.837 1.00 5.25 O ATOM 1499 CB HIS A 90 11.477 -6.564 14.140 1.00 75.42 C ATOM 1500 CG HIS A 90 11.859 -5.452 15.068 1.00 71.34 C ATOM 1501 ND1 HIS A 90 11.741 -5.539 16.436 1.00 3.22 N ATOM 1502 CD2 HIS A 90 12.374 -4.226 14.816 1.00 31.03 C ATOM 1503 CE1 HIS A 90 12.167 -4.417 16.986 1.00 5.55 C ATOM 1504 NE2 HIS A 90 12.558 -3.603 16.025 1.00 1.54 N ATOM 0 H HIS A 90 9.922 -4.345 12.407 1.00 21.11 H new ATOM 0 HA HIS A 90 11.825 -5.454 12.344 1.00 43.12 H new ATOM 0 HB2 HIS A 90 10.668 -7.140 14.590 1.00 75.42 H new ATOM 0 HB3 HIS A 90 12.325 -7.239 14.028 1.00 75.42 H new ATOM 0 HD2 HIS A 90 12.599 -3.814 13.843 1.00 31.03 H new ATOM 0 HE1 HIS A 90 12.191 -4.202 18.044 1.00 5.55 H new ATOM 0 HE2 HIS A 90 12.935 -2.665 16.158 1.00 1.54 H new ATOM 1513 N ILE A 91 9.830 -7.172 10.958 1.00 10.13 N ATOM 1514 CA ILE A 91 9.568 -8.206 9.968 1.00 50.52 C ATOM 1515 C ILE A 91 10.568 -8.085 8.831 1.00 14.24 C ATOM 1516 O ILE A 91 11.332 -9.010 8.551 1.00 22.01 O ATOM 1517 CB ILE A 91 8.141 -8.100 9.389 1.00 42.22 C ATOM 1518 CG1 ILE A 91 7.105 -8.111 10.513 1.00 45.20 C ATOM 1519 CG2 ILE A 91 7.881 -9.244 8.418 1.00 44.33 C ATOM 1520 CD1 ILE A 91 5.692 -7.886 10.028 1.00 43.12 C ATOM 0 H ILE A 91 9.177 -6.389 10.932 1.00 10.13 H new ATOM 0 HA ILE A 91 9.665 -9.171 10.466 1.00 50.52 H new ATOM 0 HB ILE A 91 8.054 -7.157 8.850 1.00 42.22 H new ATOM 0 HG12 ILE A 91 7.155 -9.067 11.034 1.00 45.20 H new ATOM 0 HG13 ILE A 91 7.359 -7.339 11.239 1.00 45.20 H new ATOM 0 HG21 ILE A 91 6.871 -9.158 8.016 1.00 44.33 H new ATOM 0 HG22 ILE A 91 8.601 -9.199 7.601 1.00 44.33 H new ATOM 0 HG23 ILE A 91 7.984 -10.195 8.940 1.00 44.33 H new ATOM 0 HD11 ILE A 91 5.008 -7.906 10.877 1.00 43.12 H new ATOM 0 HD12 ILE A 91 5.627 -6.917 9.533 1.00 43.12 H new ATOM 0 HD13 ILE A 91 5.419 -8.672 9.324 1.00 43.12 H new ATOM 1532 N ILE A 92 10.560 -6.929 8.190 1.00 25.22 N ATOM 1533 CA ILE A 92 11.486 -6.642 7.111 1.00 33.21 C ATOM 1534 C ILE A 92 12.242 -5.360 7.415 1.00 64.43 C ATOM 1535 O ILE A 92 11.762 -4.511 8.164 1.00 43.24 O ATOM 1536 CB ILE A 92 10.764 -6.497 5.749 1.00 40.33 C ATOM 1537 CG1 ILE A 92 9.688 -5.408 5.821 1.00 61.20 C ATOM 1538 CG2 ILE A 92 10.157 -7.827 5.325 1.00 22.20 C ATOM 1539 CD1 ILE A 92 8.994 -5.145 4.501 1.00 24.13 C ATOM 0 H ILE A 92 9.915 -6.168 8.402 1.00 25.22 H new ATOM 0 HA ILE A 92 12.176 -7.483 7.038 1.00 33.21 H new ATOM 0 HB ILE A 92 11.498 -6.200 5.000 1.00 40.33 H new ATOM 0 HG12 ILE A 92 8.942 -5.696 6.562 1.00 61.20 H new ATOM 0 HG13 ILE A 92 10.144 -4.482 6.171 1.00 61.20 H new ATOM 0 HG21 ILE A 92 9.653 -7.708 4.366 1.00 22.20 H new ATOM 0 HG22 ILE A 92 10.946 -8.573 5.230 1.00 22.20 H new ATOM 0 HG23 ILE A 92 9.437 -8.154 6.075 1.00 22.20 H new ATOM 0 HD11 ILE A 92 8.247 -4.362 4.632 1.00 24.13 H new ATOM 0 HD12 ILE A 92 9.728 -4.825 3.761 1.00 24.13 H new ATOM 0 HD13 ILE A 92 8.507 -6.058 4.158 1.00 24.13 H new ATOM 1551 N GLU A 93 13.426 -5.230 6.852 1.00 70.04 N ATOM 1552 CA GLU A 93 14.242 -4.048 7.076 1.00 32.43 C ATOM 1553 C GLU A 93 14.484 -3.328 5.760 1.00 21.44 C ATOM 1554 O GLU A 93 15.436 -2.560 5.619 1.00 34.52 O ATOM 1555 CB GLU A 93 15.563 -4.450 7.733 1.00 5.32 C ATOM 1556 CG GLU A 93 15.369 -5.143 9.070 1.00 62.34 C ATOM 1557 CD GLU A 93 16.669 -5.586 9.693 1.00 54.31 C ATOM 1558 OE1 GLU A 93 17.199 -6.640 9.286 1.00 62.14 O ATOM 1559 OE2 GLU A 93 17.160 -4.887 10.601 1.00 22.21 O ATOM 0 H GLU A 93 13.847 -5.926 6.236 1.00 70.04 H new ATOM 0 HA GLU A 93 13.719 -3.365 7.745 1.00 32.43 H new ATOM 0 HB2 GLU A 93 16.110 -5.112 7.062 1.00 5.32 H new ATOM 0 HB3 GLU A 93 16.178 -3.561 7.876 1.00 5.32 H new ATOM 0 HG2 GLU A 93 14.856 -4.467 9.754 1.00 62.34 H new ATOM 0 HG3 GLU A 93 14.722 -6.010 8.934 1.00 62.34 H new ATOM 1566 N TYR A 94 13.604 -3.584 4.802 1.00 73.42 N ATOM 1567 CA TYR A 94 13.679 -2.955 3.495 1.00 4.52 C ATOM 1568 C TYR A 94 12.321 -2.389 3.120 1.00 44.13 C ATOM 1569 O TYR A 94 11.293 -3.021 3.348 1.00 44.14 O ATOM 1570 CB TYR A 94 14.145 -3.953 2.434 1.00 61.34 C ATOM 1571 CG TYR A 94 15.544 -4.475 2.671 1.00 34.54 C ATOM 1572 CD1 TYR A 94 16.653 -3.708 2.339 1.00 54.31 C ATOM 1573 CD2 TYR A 94 15.756 -5.728 3.232 1.00 72.52 C ATOM 1574 CE1 TYR A 94 17.933 -4.174 2.558 1.00 13.12 C ATOM 1575 CE2 TYR A 94 17.034 -6.201 3.454 1.00 54.21 C ATOM 1576 CZ TYR A 94 18.119 -5.420 3.114 1.00 2.04 C ATOM 1577 OH TYR A 94 19.395 -5.891 3.330 1.00 63.44 O ATOM 0 H TYR A 94 12.822 -4.231 4.910 1.00 73.42 H new ATOM 0 HA TYR A 94 14.407 -2.145 3.541 1.00 4.52 H new ATOM 0 HB2 TYR A 94 13.452 -4.794 2.408 1.00 61.34 H new ATOM 0 HB3 TYR A 94 14.105 -3.476 1.455 1.00 61.34 H new ATOM 0 HD1 TYR A 94 16.511 -2.731 1.902 1.00 54.31 H new ATOM 0 HD2 TYR A 94 14.908 -6.342 3.499 1.00 72.52 H new ATOM 0 HE1 TYR A 94 18.785 -3.565 2.295 1.00 13.12 H new ATOM 0 HE2 TYR A 94 17.183 -7.177 3.891 1.00 54.21 H new ATOM 0 HH TYR A 94 19.351 -6.785 3.729 1.00 63.44 H new ATOM 1587 N ASN A 95 12.325 -1.191 2.569 1.00 54.12 N ATOM 1588 CA ASN A 95 11.104 -0.517 2.181 1.00 14.41 C ATOM 1589 C ASN A 95 11.045 -0.369 0.663 1.00 42.41 C ATOM 1590 O ASN A 95 11.536 0.614 0.105 1.00 70.21 O ATOM 1591 CB ASN A 95 11.034 0.836 2.884 1.00 53.30 C ATOM 1592 CG ASN A 95 9.916 1.722 2.389 1.00 4.44 C ATOM 1593 OD1 ASN A 95 8.875 1.256 1.929 1.00 2.34 O ATOM 1594 ND2 ASN A 95 10.135 3.016 2.488 1.00 2.54 N ATOM 0 H ASN A 95 13.174 -0.659 2.378 1.00 54.12 H new ATOM 0 HA ASN A 95 10.239 -1.107 2.484 1.00 14.41 H new ATOM 0 HB2 ASN A 95 10.909 0.673 3.954 1.00 53.30 H new ATOM 0 HB3 ASN A 95 11.983 1.355 2.749 1.00 53.30 H new ATOM 0 HD21 ASN A 95 9.425 3.679 2.176 1.00 2.54 H new ATOM 0 HD22 ASN A 95 11.015 3.356 2.877 1.00 2.54 H new ATOM 1601 N PRO A 96 10.479 -1.379 -0.029 1.00 23.42 N ATOM 1602 CA PRO A 96 10.440 -1.432 -1.502 1.00 43.34 C ATOM 1603 C PRO A 96 9.809 -0.192 -2.139 1.00 40.12 C ATOM 1604 O PRO A 96 10.084 0.132 -3.294 1.00 51.14 O ATOM 1605 CB PRO A 96 9.583 -2.673 -1.803 1.00 35.40 C ATOM 1606 CG PRO A 96 8.889 -2.999 -0.522 1.00 44.21 C ATOM 1607 CD PRO A 96 9.814 -2.551 0.569 1.00 40.51 C ATOM 0 HA PRO A 96 11.448 -1.474 -1.915 1.00 43.34 H new ATOM 0 HB2 PRO A 96 8.865 -2.471 -2.598 1.00 35.40 H new ATOM 0 HB3 PRO A 96 10.202 -3.506 -2.137 1.00 35.40 H new ATOM 0 HG2 PRO A 96 7.929 -2.487 -0.456 1.00 44.21 H new ATOM 0 HG3 PRO A 96 8.686 -4.067 -0.448 1.00 44.21 H new ATOM 0 HD2 PRO A 96 9.271 -2.289 1.477 1.00 40.51 H new ATOM 0 HD3 PRO A 96 10.529 -3.328 0.838 1.00 40.51 H new ATOM 1615 N ALA A 97 8.973 0.505 -1.382 1.00 43.33 N ATOM 1616 CA ALA A 97 8.292 1.688 -1.889 1.00 24.51 C ATOM 1617 C ALA A 97 9.241 2.880 -1.970 1.00 33.10 C ATOM 1618 O ALA A 97 9.031 3.803 -2.755 1.00 15.33 O ATOM 1619 CB ALA A 97 7.096 2.025 -1.013 1.00 12.11 C ATOM 0 H ALA A 97 8.750 0.272 -0.414 1.00 43.33 H new ATOM 0 HA ALA A 97 7.941 1.468 -2.897 1.00 24.51 H new ATOM 0 HB1 ALA A 97 6.597 2.911 -1.404 1.00 12.11 H new ATOM 0 HB2 ALA A 97 6.399 1.187 -1.011 1.00 12.11 H new ATOM 0 HB3 ALA A 97 7.434 2.218 0.005 1.00 12.11 H new ATOM 1625 N ALA A 98 10.303 2.847 -1.172 1.00 71.05 N ATOM 1626 CA ALA A 98 11.251 3.956 -1.113 1.00 42.11 C ATOM 1627 C ALA A 98 12.190 3.952 -2.312 1.00 40.22 C ATOM 1628 O ALA A 98 12.990 4.872 -2.489 1.00 12.45 O ATOM 1629 CB ALA A 98 12.058 3.905 0.173 1.00 54.43 C ATOM 0 H ALA A 98 10.530 2.065 -0.557 1.00 71.05 H new ATOM 0 HA ALA A 98 10.672 4.879 -1.135 1.00 42.11 H new ATOM 0 HB1 ALA A 98 12.758 4.740 0.197 1.00 54.43 H new ATOM 0 HB2 ALA A 98 11.385 3.972 1.028 1.00 54.43 H new ATOM 0 HB3 ALA A 98 12.611 2.967 0.219 1.00 54.43 H new ATOM 1635 N ALA A 99 12.093 2.915 -3.132 1.00 50.54 N ATOM 1636 CA ALA A 99 12.945 2.788 -4.304 1.00 14.53 C ATOM 1637 C ALA A 99 12.426 3.650 -5.449 1.00 32.25 C ATOM 1638 O ALA A 99 13.059 3.747 -6.502 1.00 65.14 O ATOM 1639 CB ALA A 99 13.037 1.330 -4.737 1.00 32.05 C ATOM 0 H ALA A 99 11.432 2.149 -3.006 1.00 50.54 H new ATOM 0 HA ALA A 99 13.943 3.138 -4.039 1.00 14.53 H new ATOM 0 HB1 ALA A 99 13.678 1.251 -5.615 1.00 32.05 H new ATOM 0 HB2 ALA A 99 13.458 0.735 -3.926 1.00 32.05 H new ATOM 0 HB3 ALA A 99 12.041 0.959 -4.980 1.00 32.05 H new ATOM 1645 N PHE A 100 11.269 4.272 -5.241 1.00 63.22 N ATOM 1646 CA PHE A 100 10.657 5.104 -6.264 1.00 33.15 C ATOM 1647 C PHE A 100 10.270 6.465 -5.695 1.00 35.12 C ATOM 1648 O PHE A 100 9.418 6.559 -4.812 1.00 43.41 O ATOM 1649 CB PHE A 100 9.408 4.423 -6.836 1.00 44.21 C ATOM 1650 CG PHE A 100 9.632 3.006 -7.292 1.00 51.14 C ATOM 1651 CD1 PHE A 100 10.340 2.740 -8.454 1.00 61.34 C ATOM 1652 CD2 PHE A 100 9.134 1.939 -6.561 1.00 75.34 C ATOM 1653 CE1 PHE A 100 10.547 1.440 -8.877 1.00 33.02 C ATOM 1654 CE2 PHE A 100 9.337 0.638 -6.979 1.00 30.31 C ATOM 1655 CZ PHE A 100 10.044 0.389 -8.138 1.00 23.13 C ATOM 0 H PHE A 100 10.739 4.214 -4.372 1.00 63.22 H new ATOM 0 HA PHE A 100 11.389 5.244 -7.060 1.00 33.15 H new ATOM 0 HB2 PHE A 100 8.625 4.429 -6.078 1.00 44.21 H new ATOM 0 HB3 PHE A 100 9.041 5.010 -7.678 1.00 44.21 H new ATOM 0 HD1 PHE A 100 10.735 3.559 -9.037 1.00 61.34 H new ATOM 0 HD2 PHE A 100 8.580 2.127 -5.653 1.00 75.34 H new ATOM 0 HE1 PHE A 100 11.101 1.248 -9.784 1.00 33.02 H new ATOM 0 HE2 PHE A 100 8.943 -0.184 -6.399 1.00 30.31 H new ATOM 0 HZ PHE A 100 10.203 -0.628 -8.466 1.00 23.13 H new