USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 461 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 15 ASN : amide:sc= 0 X(o=0,f=0.054) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 86:sc= 1.2 USER MOD Single : A 35 THR OG1 : rot 77:sc= 0.704 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.869 K(o=-0.87,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.73) USER MOD Single : A 50 SER OG : rot 180:sc= -1.11 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -45:sc= 0.178 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0732 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.0492 X(o=-0.049,f=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 13 35.825 6.724 -25.378 1.00 51.21 N ATOM 71 CA ILE A 13 35.751 7.079 -23.965 1.00 24.35 C ATOM 72 C ILE A 13 37.129 7.036 -23.315 1.00 3.34 C ATOM 73 O ILE A 13 37.442 7.850 -22.446 1.00 74.22 O ATOM 74 CB ILE A 13 34.804 6.137 -23.198 1.00 23.12 C ATOM 75 CG1 ILE A 13 34.697 6.569 -21.735 1.00 44.03 C ATOM 76 CG2 ILE A 13 35.292 4.699 -23.297 1.00 34.40 C ATOM 77 CD1 ILE A 13 34.145 7.966 -21.556 1.00 44.11 C ATOM 0 HA ILE A 13 35.360 8.095 -23.914 1.00 24.35 H new ATOM 0 HB ILE A 13 33.813 6.195 -23.649 1.00 23.12 H new ATOM 0 HG12 ILE A 13 34.059 5.864 -21.202 1.00 44.03 H new ATOM 0 HG13 ILE A 13 35.684 6.516 -21.276 1.00 44.03 H new ATOM 0 HG21 ILE A 13 34.612 4.046 -22.750 1.00 34.40 H new ATOM 0 HG22 ILE A 13 35.322 4.396 -24.344 1.00 34.40 H new ATOM 0 HG23 ILE A 13 36.291 4.624 -22.868 1.00 34.40 H new ATOM 0 HD11 ILE A 13 34.097 8.205 -20.494 1.00 44.11 H new ATOM 0 HD12 ILE A 13 34.795 8.681 -22.060 1.00 44.11 H new ATOM 0 HD13 ILE A 13 33.145 8.020 -21.985 1.00 44.11 H new ATOM 89 N VAL A 14 37.951 6.084 -23.744 1.00 34.02 N ATOM 90 CA VAL A 14 39.298 5.938 -23.206 1.00 21.21 C ATOM 91 C VAL A 14 40.212 7.054 -23.698 1.00 45.31 C ATOM 92 O VAL A 14 41.123 7.483 -22.991 1.00 65.03 O ATOM 93 CB VAL A 14 39.913 4.578 -23.592 1.00 44.42 C ATOM 94 CG1 VAL A 14 40.098 4.485 -25.099 1.00 41.31 C ATOM 95 CG2 VAL A 14 41.234 4.367 -22.870 1.00 14.32 C ATOM 0 H VAL A 14 37.708 5.402 -24.463 1.00 34.02 H new ATOM 0 HA VAL A 14 39.212 5.995 -22.121 1.00 21.21 H new ATOM 0 HB VAL A 14 39.228 3.788 -23.285 1.00 44.42 H new ATOM 0 HG11 VAL A 14 40.533 3.518 -25.353 1.00 41.31 H new ATOM 0 HG12 VAL A 14 39.131 4.588 -25.591 1.00 41.31 H new ATOM 0 HG13 VAL A 14 40.763 5.281 -25.434 1.00 41.31 H new ATOM 0 HG21 VAL A 14 41.654 3.402 -23.154 1.00 14.32 H new ATOM 0 HG22 VAL A 14 41.929 5.160 -23.144 1.00 14.32 H new ATOM 0 HG23 VAL A 14 41.067 4.387 -21.793 1.00 14.32 H new ATOM 105 N ASN A 15 39.961 7.522 -24.917 1.00 50.32 N ATOM 106 CA ASN A 15 40.761 8.589 -25.505 1.00 10.43 C ATOM 107 C ASN A 15 40.239 9.959 -25.079 1.00 23.32 C ATOM 108 O ASN A 15 40.978 10.943 -25.077 1.00 54.10 O ATOM 109 CB ASN A 15 40.751 8.480 -27.032 1.00 12.23 C ATOM 110 CG ASN A 15 41.944 9.167 -27.668 1.00 10.32 C ATOM 111 OD1 ASN A 15 42.057 10.393 -27.640 1.00 64.01 O ATOM 112 ND2 ASN A 15 42.843 8.379 -28.247 1.00 62.35 N ATOM 0 H ASN A 15 39.210 7.179 -25.516 1.00 50.32 H new ATOM 0 HA ASN A 15 41.784 8.482 -25.146 1.00 10.43 H new ATOM 0 HB2 ASN A 15 40.745 7.428 -27.319 1.00 12.23 H new ATOM 0 HB3 ASN A 15 39.832 8.921 -27.419 1.00 12.23 H new ATOM 0 HD21 ASN A 15 43.666 8.785 -28.691 1.00 62.35 H new ATOM 0 HD22 ASN A 15 42.710 7.368 -28.247 1.00 62.35 H new ATOM 119 N SER A 16 38.962 10.013 -24.719 1.00 64.23 N ATOM 120 CA SER A 16 38.339 11.261 -24.293 1.00 0.25 C ATOM 121 C SER A 16 38.556 11.496 -22.801 1.00 21.34 C ATOM 122 O SER A 16 38.834 12.615 -22.371 1.00 34.14 O ATOM 123 CB SER A 16 36.841 11.241 -24.605 1.00 15.24 C ATOM 124 OG SER A 16 36.607 11.422 -25.991 1.00 10.21 O ATOM 0 H SER A 16 38.337 9.207 -24.714 1.00 64.23 H new ATOM 0 HA SER A 16 38.807 12.077 -24.843 1.00 0.25 H new ATOM 0 HB2 SER A 16 36.411 10.293 -24.281 1.00 15.24 H new ATOM 0 HB3 SER A 16 36.338 12.028 -24.042 1.00 15.24 H new ATOM 0 HG SER A 16 35.643 11.404 -26.165 1.00 10.21 H new ATOM 130 N VAL A 17 38.427 10.431 -22.016 1.00 63.33 N ATOM 131 CA VAL A 17 38.609 10.518 -20.573 1.00 13.11 C ATOM 132 C VAL A 17 40.067 10.790 -20.219 1.00 31.43 C ATOM 133 O VAL A 17 40.363 11.445 -19.219 1.00 32.02 O ATOM 134 CB VAL A 17 38.155 9.226 -19.870 1.00 41.12 C ATOM 135 CG1 VAL A 17 39.134 8.094 -20.144 1.00 2.41 C ATOM 136 CG2 VAL A 17 38.002 9.458 -18.374 1.00 53.15 C ATOM 0 H VAL A 17 38.197 9.497 -22.356 1.00 63.33 H new ATOM 0 HA VAL A 17 37.992 11.347 -20.226 1.00 13.11 H new ATOM 0 HB VAL A 17 37.183 8.939 -20.272 1.00 41.12 H new ATOM 0 HG11 VAL A 17 38.795 7.190 -19.638 1.00 2.41 H new ATOM 0 HG12 VAL A 17 39.188 7.911 -21.217 1.00 2.41 H new ATOM 0 HG13 VAL A 17 40.121 8.369 -19.773 1.00 2.41 H new ATOM 0 HG21 VAL A 17 37.680 8.534 -17.894 1.00 53.15 H new ATOM 0 HG22 VAL A 17 38.958 9.771 -17.955 1.00 53.15 H new ATOM 0 HG23 VAL A 17 37.258 10.235 -18.201 1.00 53.15 H new ATOM 146 N LEU A 18 40.975 10.282 -21.046 1.00 54.43 N ATOM 147 CA LEU A 18 42.404 10.470 -20.821 1.00 34.53 C ATOM 148 C LEU A 18 42.842 11.869 -21.240 1.00 52.44 C ATOM 149 O LEU A 18 43.651 12.508 -20.564 1.00 62.45 O ATOM 150 CB LEU A 18 43.205 9.420 -21.594 1.00 41.10 C ATOM 151 CG LEU A 18 44.723 9.472 -21.421 1.00 52.53 C ATOM 152 CD1 LEU A 18 45.139 8.769 -20.139 1.00 20.51 C ATOM 153 CD2 LEU A 18 45.418 8.850 -22.623 1.00 54.11 C ATOM 0 H LEU A 18 40.747 9.737 -21.878 1.00 54.43 H new ATOM 0 HA LEU A 18 42.597 10.353 -19.755 1.00 34.53 H new ATOM 0 HB2 LEU A 18 42.859 8.432 -21.291 1.00 41.10 H new ATOM 0 HB3 LEU A 18 42.977 9.526 -22.654 1.00 41.10 H new ATOM 0 HG LEU A 18 45.026 10.517 -21.352 1.00 52.53 H new ATOM 0 HD11 LEU A 18 46.223 8.816 -20.033 1.00 20.51 H new ATOM 0 HD12 LEU A 18 44.669 9.259 -19.286 1.00 20.51 H new ATOM 0 HD13 LEU A 18 44.823 7.726 -20.177 1.00 20.51 H new ATOM 0 HD21 LEU A 18 46.498 8.896 -22.483 1.00 54.11 H new ATOM 0 HD22 LEU A 18 45.109 7.810 -22.724 1.00 54.11 H new ATOM 0 HD23 LEU A 18 45.146 9.398 -23.525 1.00 54.11 H new ATOM 165 N LEU A 19 42.301 12.343 -22.357 1.00 74.12 N ATOM 166 CA LEU A 19 42.634 13.669 -22.865 1.00 2.24 C ATOM 167 C LEU A 19 41.969 14.757 -22.028 1.00 70.42 C ATOM 168 O LEU A 19 42.612 15.729 -21.632 1.00 40.55 O ATOM 169 CB LEU A 19 42.202 13.800 -24.327 1.00 3.31 C ATOM 170 CG LEU A 19 42.499 15.141 -24.998 1.00 30.14 C ATOM 171 CD1 LEU A 19 43.949 15.199 -25.455 1.00 22.31 C ATOM 172 CD2 LEU A 19 41.559 15.370 -26.172 1.00 43.11 C ATOM 0 H LEU A 19 41.630 11.829 -22.928 1.00 74.12 H new ATOM 0 HA LEU A 19 43.715 13.795 -22.798 1.00 2.24 H new ATOM 0 HB2 LEU A 19 42.691 13.013 -24.901 1.00 3.31 H new ATOM 0 HB3 LEU A 19 41.129 13.617 -24.385 1.00 3.31 H new ATOM 0 HG LEU A 19 42.337 15.934 -24.268 1.00 30.14 H new ATOM 0 HD11 LEU A 19 44.142 16.161 -25.930 1.00 22.31 H new ATOM 0 HD12 LEU A 19 44.607 15.081 -24.594 1.00 22.31 H new ATOM 0 HD13 LEU A 19 44.138 14.397 -26.169 1.00 22.31 H new ATOM 0 HD21 LEU A 19 41.785 16.329 -26.637 1.00 43.11 H new ATOM 0 HD22 LEU A 19 41.689 14.572 -26.903 1.00 43.11 H new ATOM 0 HD23 LEU A 19 40.528 15.373 -25.818 1.00 43.11 H new ATOM 184 N PHE A 20 40.680 14.584 -21.759 1.00 51.03 N ATOM 185 CA PHE A 20 39.928 15.550 -20.966 1.00 24.22 C ATOM 186 C PHE A 20 40.646 15.854 -19.655 1.00 0.44 C ATOM 187 O PHE A 20 40.657 16.995 -19.191 1.00 43.54 O ATOM 188 CB PHE A 20 38.521 15.020 -20.678 1.00 1.31 C ATOM 189 CG PHE A 20 37.589 16.063 -20.132 1.00 62.32 C ATOM 190 CD1 PHE A 20 37.708 16.500 -18.822 1.00 60.20 C ATOM 191 CD2 PHE A 20 36.591 16.605 -20.927 1.00 71.20 C ATOM 192 CE1 PHE A 20 36.852 17.460 -18.316 1.00 61.14 C ATOM 193 CE2 PHE A 20 35.733 17.565 -20.426 1.00 42.24 C ATOM 194 CZ PHE A 20 35.862 17.992 -19.119 1.00 12.45 C ATOM 0 H PHE A 20 40.134 13.784 -22.078 1.00 51.03 H new ATOM 0 HA PHE A 20 39.851 16.473 -21.541 1.00 24.22 H new ATOM 0 HB2 PHE A 20 38.100 14.613 -21.597 1.00 1.31 H new ATOM 0 HB3 PHE A 20 38.590 14.197 -19.967 1.00 1.31 H new ATOM 0 HD1 PHE A 20 38.479 16.085 -18.189 1.00 60.20 H new ATOM 0 HD2 PHE A 20 36.483 16.273 -21.949 1.00 71.20 H new ATOM 0 HE1 PHE A 20 36.957 17.794 -17.294 1.00 61.14 H new ATOM 0 HE2 PHE A 20 34.961 17.982 -21.056 1.00 42.24 H new ATOM 0 HZ PHE A 20 35.190 18.740 -18.726 1.00 12.45 H new ATOM 204 N LEU A 21 41.246 14.828 -19.064 1.00 73.41 N ATOM 205 CA LEU A 21 41.968 14.984 -17.805 1.00 4.30 C ATOM 206 C LEU A 21 43.142 15.943 -17.968 1.00 14.12 C ATOM 207 O LEU A 21 43.244 16.942 -17.256 1.00 11.22 O ATOM 208 CB LEU A 21 42.467 13.626 -17.309 1.00 3.33 C ATOM 209 CG LEU A 21 41.694 13.014 -16.141 1.00 31.45 C ATOM 210 CD1 LEU A 21 41.898 13.834 -14.877 1.00 62.01 C ATOM 211 CD2 LEU A 21 40.214 12.907 -16.478 1.00 55.33 C ATOM 0 H LEU A 21 41.248 13.878 -19.436 1.00 73.41 H new ATOM 0 HA LEU A 21 41.281 15.401 -17.069 1.00 4.30 H new ATOM 0 HB2 LEU A 21 42.441 12.925 -18.143 1.00 3.33 H new ATOM 0 HB3 LEU A 21 43.511 13.731 -17.013 1.00 3.33 H new ATOM 0 HG LEU A 21 42.078 12.010 -15.963 1.00 31.45 H new ATOM 0 HD11 LEU A 21 41.340 13.383 -14.057 1.00 62.01 H new ATOM 0 HD12 LEU A 21 42.958 13.857 -14.625 1.00 62.01 H new ATOM 0 HD13 LEU A 21 41.542 14.851 -15.042 1.00 62.01 H new ATOM 0 HD21 LEU A 21 39.680 12.469 -15.635 1.00 55.33 H new ATOM 0 HD22 LEU A 21 39.815 13.900 -16.684 1.00 55.33 H new ATOM 0 HD23 LEU A 21 40.086 12.275 -17.357 1.00 55.33 H new ATOM 223 N ALA A 22 44.028 15.633 -18.909 1.00 5.41 N ATOM 224 CA ALA A 22 45.193 16.470 -19.168 1.00 61.30 C ATOM 225 C ALA A 22 44.782 17.828 -19.724 1.00 62.42 C ATOM 226 O ALA A 22 45.546 18.791 -19.666 1.00 2.15 O ATOM 227 CB ALA A 22 46.143 15.769 -20.128 1.00 24.13 C ATOM 0 H ALA A 22 43.961 14.808 -19.505 1.00 5.41 H new ATOM 0 HA ALA A 22 45.707 16.636 -18.222 1.00 61.30 H new ATOM 0 HB1 ALA A 22 47.009 16.405 -20.313 1.00 24.13 H new ATOM 0 HB2 ALA A 22 46.472 14.826 -19.691 1.00 24.13 H new ATOM 0 HB3 ALA A 22 45.630 15.573 -21.069 1.00 24.13 H new ATOM 233 N PHE A 23 43.569 17.899 -20.263 1.00 61.25 N ATOM 234 CA PHE A 23 43.057 19.139 -20.832 1.00 3.41 C ATOM 235 C PHE A 23 42.653 20.117 -19.731 1.00 30.42 C ATOM 236 O PHE A 23 43.053 21.281 -19.742 1.00 31.21 O ATOM 237 CB PHE A 23 41.858 18.853 -21.739 1.00 71.54 C ATOM 238 CG PHE A 23 41.734 19.811 -22.890 1.00 41.22 C ATOM 239 CD1 PHE A 23 42.417 19.583 -24.074 1.00 42.43 C ATOM 240 CD2 PHE A 23 40.935 20.937 -22.787 1.00 4.32 C ATOM 241 CE1 PHE A 23 42.306 20.463 -25.134 1.00 50.25 C ATOM 242 CE2 PHE A 23 40.819 21.821 -23.843 1.00 11.12 C ATOM 243 CZ PHE A 23 41.505 21.584 -25.018 1.00 64.41 C ATOM 0 H PHE A 23 42.923 17.112 -20.317 1.00 61.25 H new ATOM 0 HA PHE A 23 43.852 19.592 -21.424 1.00 3.41 H new ATOM 0 HB2 PHE A 23 41.941 17.838 -22.129 1.00 71.54 H new ATOM 0 HB3 PHE A 23 40.945 18.892 -21.144 1.00 71.54 H new ATOM 0 HD1 PHE A 23 43.043 18.708 -24.170 1.00 42.43 H new ATOM 0 HD2 PHE A 23 40.396 21.127 -21.871 1.00 4.32 H new ATOM 0 HE1 PHE A 23 42.844 20.275 -26.051 1.00 50.25 H new ATOM 0 HE2 PHE A 23 40.193 22.696 -23.749 1.00 11.12 H new ATOM 0 HZ PHE A 23 41.416 22.273 -25.845 1.00 64.41 H new ATOM 253 N VAL A 24 41.857 19.634 -18.782 1.00 73.11 N ATOM 254 CA VAL A 24 41.400 20.463 -17.673 1.00 2.20 C ATOM 255 C VAL A 24 42.565 21.198 -17.019 1.00 23.32 C ATOM 256 O VAL A 24 42.579 22.426 -16.953 1.00 52.21 O ATOM 257 CB VAL A 24 40.672 19.623 -16.607 1.00 35.45 C ATOM 258 CG1 VAL A 24 40.225 20.501 -15.449 1.00 41.41 C ATOM 259 CG2 VAL A 24 39.489 18.891 -17.221 1.00 1.34 C ATOM 0 H VAL A 24 41.515 18.673 -18.759 1.00 73.11 H new ATOM 0 HA VAL A 24 40.703 21.191 -18.088 1.00 2.20 H new ATOM 0 HB VAL A 24 41.367 18.879 -16.219 1.00 35.45 H new ATOM 0 HG11 VAL A 24 39.713 19.890 -14.706 1.00 41.41 H new ATOM 0 HG12 VAL A 24 41.095 20.973 -14.993 1.00 41.41 H new ATOM 0 HG13 VAL A 24 39.546 21.270 -15.817 1.00 41.41 H new ATOM 0 HG21 VAL A 24 38.987 18.303 -16.453 1.00 1.34 H new ATOM 0 HG22 VAL A 24 38.790 19.615 -17.638 1.00 1.34 H new ATOM 0 HG23 VAL A 24 39.841 18.229 -18.012 1.00 1.34 H new ATOM 269 N VAL A 25 43.541 20.436 -16.537 1.00 32.40 N ATOM 270 CA VAL A 25 44.713 21.014 -15.888 1.00 41.11 C ATOM 271 C VAL A 25 45.330 22.113 -16.747 1.00 21.31 C ATOM 272 O VAL A 25 45.788 23.132 -16.233 1.00 55.53 O ATOM 273 CB VAL A 25 45.780 19.942 -15.600 1.00 75.05 C ATOM 274 CG1 VAL A 25 45.320 19.016 -14.485 1.00 61.24 C ATOM 275 CG2 VAL A 25 46.098 19.154 -16.862 1.00 32.50 C ATOM 0 H VAL A 25 43.544 19.417 -16.583 1.00 32.40 H new ATOM 0 HA VAL A 25 44.375 21.442 -14.944 1.00 41.11 H new ATOM 0 HB VAL A 25 46.692 20.441 -15.272 1.00 75.05 H new ATOM 0 HG11 VAL A 25 46.087 18.265 -14.296 1.00 61.24 H new ATOM 0 HG12 VAL A 25 45.148 19.596 -13.578 1.00 61.24 H new ATOM 0 HG13 VAL A 25 44.394 18.522 -14.781 1.00 61.24 H new ATOM 0 HG21 VAL A 25 46.854 18.401 -16.640 1.00 32.50 H new ATOM 0 HG22 VAL A 25 45.193 18.665 -17.223 1.00 32.50 H new ATOM 0 HG23 VAL A 25 46.475 19.831 -17.629 1.00 32.50 H new ATOM 285 N PHE A 26 45.337 21.897 -18.058 1.00 61.10 N ATOM 286 CA PHE A 26 45.899 22.868 -18.989 1.00 43.54 C ATOM 287 C PHE A 26 45.079 24.156 -18.991 1.00 23.24 C ATOM 288 O PHE A 26 45.629 25.256 -18.914 1.00 64.23 O ATOM 289 CB PHE A 26 45.952 22.282 -20.401 1.00 52.40 C ATOM 290 CG PHE A 26 47.315 21.786 -20.793 1.00 22.10 C ATOM 291 CD1 PHE A 26 48.425 22.606 -20.677 1.00 62.04 C ATOM 292 CD2 PHE A 26 47.485 20.499 -21.278 1.00 60.54 C ATOM 293 CE1 PHE A 26 49.680 22.152 -21.037 1.00 44.50 C ATOM 294 CE2 PHE A 26 48.737 20.039 -21.640 1.00 33.11 C ATOM 295 CZ PHE A 26 49.836 20.867 -21.518 1.00 23.04 C ATOM 0 H PHE A 26 44.960 21.058 -18.500 1.00 61.10 H new ATOM 0 HA PHE A 26 46.912 23.103 -18.663 1.00 43.54 H new ATOM 0 HB2 PHE A 26 45.241 21.459 -20.471 1.00 52.40 H new ATOM 0 HB3 PHE A 26 45.632 23.042 -21.114 1.00 52.40 H new ATOM 0 HD1 PHE A 26 48.309 23.612 -20.301 1.00 62.04 H new ATOM 0 HD2 PHE A 26 46.629 19.848 -21.374 1.00 60.54 H new ATOM 0 HE1 PHE A 26 50.538 22.802 -20.942 1.00 44.50 H new ATOM 0 HE2 PHE A 26 48.856 19.034 -22.018 1.00 33.11 H new ATOM 0 HZ PHE A 26 50.816 20.510 -21.798 1.00 23.04 H new ATOM 305 N LEU A 27 43.762 24.011 -19.081 1.00 2.35 N ATOM 306 CA LEU A 27 42.865 25.161 -19.095 1.00 61.01 C ATOM 307 C LEU A 27 42.867 25.869 -17.744 1.00 70.25 C ATOM 308 O LEU A 27 42.700 27.087 -17.669 1.00 11.31 O ATOM 309 CB LEU A 27 41.444 24.721 -19.451 1.00 33.32 C ATOM 310 CG LEU A 27 41.295 23.914 -20.742 1.00 44.53 C ATOM 311 CD1 LEU A 27 39.826 23.674 -21.055 1.00 54.44 C ATOM 312 CD2 LEU A 27 41.979 24.628 -21.898 1.00 25.32 C ATOM 0 H LEU A 27 43.291 23.108 -19.145 1.00 2.35 H new ATOM 0 HA LEU A 27 43.222 25.860 -19.852 1.00 61.01 H new ATOM 0 HB2 LEU A 27 41.052 24.125 -18.626 1.00 33.32 H new ATOM 0 HB3 LEU A 27 40.818 25.610 -19.528 1.00 33.32 H new ATOM 0 HG LEU A 27 41.778 22.947 -20.602 1.00 44.53 H new ATOM 0 HD11 LEU A 27 39.740 23.099 -21.977 1.00 54.44 H new ATOM 0 HD12 LEU A 27 39.365 23.120 -20.237 1.00 54.44 H new ATOM 0 HD13 LEU A 27 39.319 24.631 -21.176 1.00 54.44 H new ATOM 0 HD21 LEU A 27 41.863 24.040 -22.808 1.00 25.32 H new ATOM 0 HD22 LEU A 27 41.525 25.609 -22.039 1.00 25.32 H new ATOM 0 HD23 LEU A 27 43.039 24.747 -21.676 1.00 25.32 H new ATOM 324 N LEU A 28 43.058 25.099 -16.679 1.00 63.12 N ATOM 325 CA LEU A 28 43.084 25.652 -15.329 1.00 63.32 C ATOM 326 C LEU A 28 44.058 26.822 -15.239 1.00 21.20 C ATOM 327 O LEU A 28 43.665 27.948 -14.932 1.00 61.52 O ATOM 328 CB LEU A 28 43.476 24.569 -14.321 1.00 45.24 C ATOM 329 CG LEU A 28 42.373 23.582 -13.935 1.00 62.41 C ATOM 330 CD1 LEU A 28 42.892 22.572 -12.925 1.00 72.44 C ATOM 331 CD2 LEU A 28 41.164 24.321 -13.381 1.00 53.23 C ATOM 0 H LEU A 28 43.197 24.090 -16.724 1.00 63.12 H new ATOM 0 HA LEU A 28 42.084 26.016 -15.092 1.00 63.32 H new ATOM 0 HB2 LEU A 28 44.314 24.005 -14.731 1.00 45.24 H new ATOM 0 HB3 LEU A 28 43.833 25.057 -13.414 1.00 45.24 H new ATOM 0 HG LEU A 28 42.064 23.044 -14.831 1.00 62.41 H new ATOM 0 HD11 LEU A 28 42.094 21.878 -12.662 1.00 72.44 H new ATOM 0 HD12 LEU A 28 43.725 22.019 -13.359 1.00 72.44 H new ATOM 0 HD13 LEU A 28 43.229 23.094 -12.029 1.00 72.44 H new ATOM 0 HD21 LEU A 28 40.390 23.602 -13.112 1.00 53.23 H new ATOM 0 HD22 LEU A 28 41.457 24.887 -12.497 1.00 53.23 H new ATOM 0 HD23 LEU A 28 40.777 25.004 -14.137 1.00 53.23 H new ATOM 343 N VAL A 29 45.330 26.549 -15.511 1.00 44.10 N ATOM 344 CA VAL A 29 46.360 27.580 -15.465 1.00 54.31 C ATOM 345 C VAL A 29 46.286 28.487 -16.688 1.00 71.24 C ATOM 346 O VAL A 29 46.328 29.712 -16.571 1.00 1.12 O ATOM 347 CB VAL A 29 47.768 26.963 -15.381 1.00 13.20 C ATOM 348 CG1 VAL A 29 47.953 26.232 -14.060 1.00 61.41 C ATOM 349 CG2 VAL A 29 48.011 26.029 -16.557 1.00 62.22 C ATOM 0 H VAL A 29 45.672 25.622 -15.766 1.00 44.10 H new ATOM 0 HA VAL A 29 46.176 28.171 -14.568 1.00 54.31 H new ATOM 0 HB VAL A 29 48.502 27.767 -15.428 1.00 13.20 H new ATOM 0 HG11 VAL A 29 48.954 25.803 -14.019 1.00 61.41 H new ATOM 0 HG12 VAL A 29 47.825 26.933 -13.235 1.00 61.41 H new ATOM 0 HG13 VAL A 29 47.213 25.436 -13.978 1.00 61.41 H new ATOM 0 HG21 VAL A 29 49.011 25.602 -16.482 1.00 62.22 H new ATOM 0 HG22 VAL A 29 47.272 25.228 -16.544 1.00 62.22 H new ATOM 0 HG23 VAL A 29 47.924 26.587 -17.489 1.00 62.22 H new ATOM 359 N THR A 30 46.175 27.876 -17.864 1.00 42.51 N ATOM 360 CA THR A 30 46.096 28.628 -19.111 1.00 53.34 C ATOM 361 C THR A 30 45.038 29.723 -19.026 1.00 3.22 C ATOM 362 O THR A 30 45.145 30.756 -19.688 1.00 25.44 O ATOM 363 CB THR A 30 45.771 27.707 -20.302 1.00 52.25 C ATOM 364 OG1 THR A 30 46.878 26.838 -20.565 1.00 24.00 O ATOM 365 CG2 THR A 30 45.453 28.523 -21.546 1.00 74.20 C ATOM 0 H THR A 30 46.138 26.863 -17.979 1.00 42.51 H new ATOM 0 HA THR A 30 47.074 29.083 -19.269 1.00 53.34 H new ATOM 0 HB THR A 30 44.895 27.111 -20.044 1.00 52.25 H new ATOM 0 HG1 THR A 30 46.813 26.043 -19.995 1.00 24.00 H new ATOM 0 HG21 THR A 30 45.227 27.851 -22.374 1.00 74.20 H new ATOM 0 HG22 THR A 30 44.592 29.162 -21.352 1.00 74.20 H new ATOM 0 HG23 THR A 30 46.312 29.141 -21.805 1.00 74.20 H new ATOM 373 N LEU A 31 44.018 29.492 -18.208 1.00 61.42 N ATOM 374 CA LEU A 31 42.941 30.460 -18.035 1.00 24.23 C ATOM 375 C LEU A 31 43.467 31.760 -17.436 1.00 10.41 C ATOM 376 O LEU A 31 43.500 32.794 -18.102 1.00 31.05 O ATOM 377 CB LEU A 31 41.845 29.879 -17.140 1.00 5.30 C ATOM 378 CG LEU A 31 40.571 29.418 -17.851 1.00 13.11 C ATOM 379 CD1 LEU A 31 39.529 28.968 -16.840 1.00 2.31 C ATOM 380 CD2 LEU A 31 40.019 30.531 -18.731 1.00 14.41 C ATOM 0 H LEU A 31 43.914 28.642 -17.654 1.00 61.42 H new ATOM 0 HA LEU A 31 42.522 30.678 -19.017 1.00 24.23 H new ATOM 0 HB2 LEU A 31 42.260 29.031 -16.595 1.00 5.30 H new ATOM 0 HB3 LEU A 31 41.572 30.631 -16.399 1.00 5.30 H new ATOM 0 HG LEU A 31 40.820 28.569 -18.487 1.00 13.11 H new ATOM 0 HD11 LEU A 31 38.630 28.644 -17.364 1.00 2.31 H new ATOM 0 HD12 LEU A 31 39.926 28.140 -16.253 1.00 2.31 H new ATOM 0 HD13 LEU A 31 39.283 29.798 -16.177 1.00 2.31 H new ATOM 0 HD21 LEU A 31 39.113 30.186 -19.229 1.00 14.41 H new ATOM 0 HD22 LEU A 31 39.786 31.400 -18.115 1.00 14.41 H new ATOM 0 HD23 LEU A 31 40.762 30.806 -19.480 1.00 14.41 H new ATOM 392 N ALA A 32 43.879 31.699 -16.174 1.00 73.32 N ATOM 393 CA ALA A 32 44.408 32.870 -15.486 1.00 62.05 C ATOM 394 C ALA A 32 45.287 33.702 -16.413 1.00 30.53 C ATOM 395 O ALA A 32 45.208 34.931 -16.422 1.00 74.00 O ATOM 396 CB ALA A 32 45.191 32.448 -14.251 1.00 11.31 C ATOM 0 H ALA A 32 43.857 30.851 -15.607 1.00 73.32 H new ATOM 0 HA ALA A 32 43.566 33.489 -15.175 1.00 62.05 H new ATOM 0 HB1 ALA A 32 45.580 33.333 -13.747 1.00 11.31 H new ATOM 0 HB2 ALA A 32 44.534 31.903 -13.572 1.00 11.31 H new ATOM 0 HB3 ALA A 32 46.020 31.805 -14.548 1.00 11.31 H new ATOM 402 N ILE A 33 46.123 33.025 -17.193 1.00 74.30 N ATOM 403 CA ILE A 33 47.016 33.702 -18.125 1.00 73.44 C ATOM 404 C ILE A 33 46.275 34.775 -18.914 1.00 53.30 C ATOM 405 O ILE A 33 46.707 35.928 -18.973 1.00 31.41 O ATOM 406 CB ILE A 33 47.661 32.708 -19.110 1.00 3.51 C ATOM 407 CG1 ILE A 33 48.346 31.573 -18.348 1.00 0.24 C ATOM 408 CG2 ILE A 33 48.655 33.426 -20.010 1.00 11.10 C ATOM 409 CD1 ILE A 33 49.249 30.723 -19.214 1.00 24.42 C ATOM 0 H ILE A 33 46.200 32.008 -17.198 1.00 74.30 H new ATOM 0 HA ILE A 33 47.800 34.169 -17.529 1.00 73.44 H new ATOM 0 HB ILE A 33 46.878 32.278 -19.736 1.00 3.51 H new ATOM 0 HG12 ILE A 33 48.932 31.996 -17.532 1.00 0.24 H new ATOM 0 HG13 ILE A 33 47.584 30.937 -17.897 1.00 0.24 H new ATOM 0 HG21 ILE A 33 49.103 32.711 -20.701 1.00 11.10 H new ATOM 0 HG22 ILE A 33 48.139 34.202 -20.575 1.00 11.10 H new ATOM 0 HG23 ILE A 33 49.436 33.880 -19.400 1.00 11.10 H new ATOM 0 HD11 ILE A 33 49.701 29.938 -18.608 1.00 24.42 H new ATOM 0 HD12 ILE A 33 48.665 30.271 -20.015 1.00 24.42 H new ATOM 0 HD13 ILE A 33 50.033 31.346 -19.644 1.00 24.42 H new ATOM 421 N LEU A 34 45.158 34.391 -19.520 1.00 62.13 N ATOM 422 CA LEU A 34 44.353 35.322 -20.305 1.00 33.24 C ATOM 423 C LEU A 34 44.103 36.612 -19.531 1.00 41.14 C ATOM 424 O LEU A 34 43.911 37.676 -20.121 1.00 43.32 O ATOM 425 CB LEU A 34 43.021 34.677 -20.689 1.00 4.11 C ATOM 426 CG LEU A 34 42.057 35.554 -21.490 1.00 62.25 C ATOM 427 CD1 LEU A 34 42.742 36.104 -22.731 1.00 41.33 C ATOM 428 CD2 LEU A 34 40.811 34.767 -21.869 1.00 22.41 C ATOM 0 H LEU A 34 44.788 33.441 -19.484 1.00 62.13 H new ATOM 0 HA LEU A 34 44.906 35.566 -21.212 1.00 33.24 H new ATOM 0 HB2 LEU A 34 43.229 33.778 -21.269 1.00 4.11 H new ATOM 0 HB3 LEU A 34 42.518 34.359 -19.776 1.00 4.11 H new ATOM 0 HG LEU A 34 41.755 36.395 -20.865 1.00 62.25 H new ATOM 0 HD11 LEU A 34 42.041 36.725 -23.288 1.00 41.33 H new ATOM 0 HD12 LEU A 34 43.603 36.704 -22.436 1.00 41.33 H new ATOM 0 HD13 LEU A 34 43.074 35.278 -23.360 1.00 41.33 H new ATOM 0 HD21 LEU A 34 40.136 35.406 -22.438 1.00 22.41 H new ATOM 0 HD22 LEU A 34 41.094 33.907 -22.476 1.00 22.41 H new ATOM 0 HD23 LEU A 34 40.309 34.423 -20.965 1.00 22.41 H new ATOM 440 N THR A 35 44.107 36.511 -18.205 1.00 1.20 N ATOM 441 CA THR A 35 43.881 37.669 -17.350 1.00 3.54 C ATOM 442 C THR A 35 44.949 38.734 -17.574 1.00 54.35 C ATOM 443 O THR A 35 44.644 39.924 -17.661 1.00 70.34 O ATOM 444 CB THR A 35 43.870 37.275 -15.861 1.00 42.54 C ATOM 445 OG1 THR A 35 43.036 36.127 -15.665 1.00 20.11 O ATOM 446 CG2 THR A 35 43.367 38.424 -15.001 1.00 12.51 C ATOM 0 H THR A 35 44.264 35.639 -17.700 1.00 1.20 H new ATOM 0 HA THR A 35 42.905 38.074 -17.618 1.00 3.54 H new ATOM 0 HB THR A 35 44.891 37.038 -15.563 1.00 42.54 H new ATOM 0 HG1 THR A 35 43.510 35.323 -15.965 1.00 20.11 H new ATOM 0 HG21 THR A 35 43.368 38.122 -13.954 1.00 12.51 H new ATOM 0 HG22 THR A 35 44.019 39.288 -15.130 1.00 12.51 H new ATOM 0 HG23 THR A 35 42.353 38.687 -15.302 1.00 12.51 H new ATOM 454 N ALA A 36 46.201 38.300 -17.665 1.00 31.42 N ATOM 455 CA ALA A 36 47.314 39.216 -17.881 1.00 60.12 C ATOM 456 C ALA A 36 46.996 40.214 -18.990 1.00 21.03 C ATOM 457 O ALA A 36 47.455 41.357 -18.961 1.00 42.14 O ATOM 458 CB ALA A 36 48.580 38.440 -18.213 1.00 3.13 C ATOM 0 H ALA A 36 46.470 37.319 -17.592 1.00 31.42 H new ATOM 0 HA ALA A 36 47.476 39.776 -16.960 1.00 60.12 H new ATOM 0 HB1 ALA A 36 49.403 39.137 -18.372 1.00 3.13 H new ATOM 0 HB2 ALA A 36 48.824 37.772 -17.387 1.00 3.13 H new ATOM 0 HB3 ALA A 36 48.421 37.854 -19.118 1.00 3.13 H new ATOM 464 N LEU A 37 46.211 39.774 -19.967 1.00 2.32 N ATOM 465 CA LEU A 37 45.832 40.630 -21.087 1.00 33.33 C ATOM 466 C LEU A 37 44.803 41.668 -20.655 1.00 41.01 C ATOM 467 O LEU A 37 44.923 42.849 -20.980 1.00 13.32 O ATOM 468 CB LEU A 37 45.272 39.785 -22.232 1.00 21.14 C ATOM 469 CG LEU A 37 46.282 39.335 -23.290 1.00 43.53 C ATOM 470 CD1 LEU A 37 46.942 40.538 -23.943 1.00 11.33 C ATOM 471 CD2 LEU A 37 47.328 38.418 -22.674 1.00 50.32 C ATOM 0 H LEU A 37 45.825 38.831 -20.007 1.00 2.32 H new ATOM 0 HA LEU A 37 46.724 41.153 -21.432 1.00 33.33 H new ATOM 0 HB2 LEU A 37 44.802 38.898 -21.807 1.00 21.14 H new ATOM 0 HB3 LEU A 37 44.486 40.355 -22.728 1.00 21.14 H new ATOM 0 HG LEU A 37 45.749 38.777 -24.060 1.00 43.53 H new ATOM 0 HD11 LEU A 37 47.657 40.199 -24.692 1.00 11.33 H new ATOM 0 HD12 LEU A 37 46.181 41.156 -24.421 1.00 11.33 H new ATOM 0 HD13 LEU A 37 47.462 41.124 -23.185 1.00 11.33 H new ATOM 0 HD21 LEU A 37 48.037 38.108 -23.441 1.00 50.32 H new ATOM 0 HD22 LEU A 37 47.858 38.950 -21.883 1.00 50.32 H new ATOM 0 HD23 LEU A 37 46.839 37.538 -22.255 1.00 50.32 H new ATOM 483 N ARG A 38 43.791 41.220 -19.920 1.00 44.41 N ATOM 484 CA ARG A 38 42.740 42.111 -19.442 1.00 64.13 C ATOM 485 C ARG A 38 43.335 43.325 -18.737 1.00 11.42 C ATOM 486 O ARG A 38 43.084 44.468 -19.125 1.00 24.24 O ATOM 487 CB ARG A 38 41.802 41.365 -18.491 1.00 62.21 C ATOM 488 CG ARG A 38 40.330 41.641 -18.746 1.00 63.50 C ATOM 489 CD ARG A 38 39.829 40.901 -19.977 1.00 44.41 C ATOM 490 NE ARG A 38 39.306 39.577 -19.646 1.00 14.41 N ATOM 491 CZ ARG A 38 38.785 38.748 -20.542 1.00 71.54 C ATOM 492 NH1 ARG A 38 38.717 39.102 -21.818 1.00 21.11 N ATOM 493 NH2 ARG A 38 38.331 37.560 -20.162 1.00 4.32 N ATOM 0 H ARG A 38 43.676 40.245 -19.642 1.00 44.41 H new ATOM 0 HA ARG A 38 42.172 42.456 -20.306 1.00 64.13 H new ATOM 0 HB2 ARG A 38 41.983 40.294 -18.582 1.00 62.21 H new ATOM 0 HB3 ARG A 38 42.043 41.643 -17.465 1.00 62.21 H new ATOM 0 HG2 ARG A 38 39.746 41.339 -17.876 1.00 63.50 H new ATOM 0 HG3 ARG A 38 40.177 42.712 -18.877 1.00 63.50 H new ATOM 0 HD2 ARG A 38 39.048 41.489 -20.460 1.00 44.41 H new ATOM 0 HD3 ARG A 38 40.643 40.800 -20.695 1.00 44.41 H new ATOM 0 HE ARG A 38 39.343 39.273 -18.673 1.00 14.41 H new ATOM 0 HH11 ARG A 38 39.066 40.014 -22.114 1.00 21.11 H new ATOM 0 HH12 ARG A 38 38.316 38.462 -22.504 1.00 21.11 H new ATOM 0 HH21 ARG A 38 38.383 37.284 -19.181 1.00 4.32 H new ATOM 0 HH22 ARG A 38 37.931 36.923 -20.851 1.00 4.32 H new ATOM 507 N LEU A 39 44.126 43.073 -17.700 1.00 42.14 N ATOM 508 CA LEU A 39 44.757 44.145 -16.940 1.00 50.12 C ATOM 509 C LEU A 39 45.473 45.121 -17.868 1.00 54.33 C ATOM 510 O LEU A 39 45.551 46.318 -17.586 1.00 65.44 O ATOM 511 CB LEU A 39 45.748 43.565 -15.929 1.00 52.13 C ATOM 512 CG LEU A 39 45.299 42.298 -15.200 1.00 41.30 C ATOM 513 CD1 LEU A 39 46.258 41.964 -14.068 1.00 54.41 C ATOM 514 CD2 LEU A 39 43.881 42.461 -14.670 1.00 54.53 C ATOM 0 H LEU A 39 44.346 42.134 -17.366 1.00 42.14 H new ATOM 0 HA LEU A 39 43.977 44.686 -16.405 1.00 50.12 H new ATOM 0 HB2 LEU A 39 46.682 43.350 -16.448 1.00 52.13 H new ATOM 0 HB3 LEU A 39 45.966 44.330 -15.184 1.00 52.13 H new ATOM 0 HG LEU A 39 45.307 41.472 -15.911 1.00 41.30 H new ATOM 0 HD11 LEU A 39 45.922 41.059 -13.561 1.00 54.41 H new ATOM 0 HD12 LEU A 39 47.257 41.803 -14.473 1.00 54.41 H new ATOM 0 HD13 LEU A 39 46.284 42.790 -13.357 1.00 54.41 H new ATOM 0 HD21 LEU A 39 43.578 41.550 -14.154 1.00 54.53 H new ATOM 0 HD22 LEU A 39 43.847 43.300 -13.975 1.00 54.53 H new ATOM 0 HD23 LEU A 39 43.201 42.650 -15.501 1.00 54.53 H new ATOM 526 N ALA A 40 45.994 44.604 -18.975 1.00 63.11 N ATOM 527 CA ALA A 40 46.699 45.430 -19.946 1.00 13.05 C ATOM 528 C ALA A 40 45.789 46.519 -20.505 1.00 34.31 C ATOM 529 O ALA A 40 46.253 47.596 -20.880 1.00 72.44 O ATOM 530 CB ALA A 40 47.247 44.567 -21.074 1.00 3.41 C ATOM 0 H ALA A 40 45.941 43.616 -19.222 1.00 63.11 H new ATOM 0 HA ALA A 40 47.532 45.915 -19.437 1.00 13.05 H new ATOM 0 HB1 ALA A 40 47.771 45.197 -21.792 1.00 3.41 H new ATOM 0 HB2 ALA A 40 47.938 43.830 -20.665 1.00 3.41 H new ATOM 0 HB3 ALA A 40 46.424 44.055 -21.573 1.00 3.41 H new ATOM 536 N ALA A 41 44.493 46.232 -20.557 1.00 21.24 N ATOM 537 CA ALA A 41 43.519 47.187 -21.068 1.00 1.32 C ATOM 538 C ALA A 41 43.438 48.420 -20.175 1.00 21.41 C ATOM 539 O ALA A 41 43.400 49.550 -20.661 1.00 2.20 O ATOM 540 CB ALA A 41 42.151 46.532 -21.192 1.00 15.11 C ATOM 0 H ALA A 41 44.093 45.345 -20.251 1.00 21.24 H new ATOM 0 HA ALA A 41 43.847 47.508 -22.057 1.00 1.32 H new ATOM 0 HB1 ALA A 41 41.434 47.258 -21.575 1.00 15.11 H new ATOM 0 HB2 ALA A 41 42.213 45.687 -21.877 1.00 15.11 H new ATOM 0 HB3 ALA A 41 41.825 46.182 -20.213 1.00 15.11 H new ATOM 546 N TYR A 42 43.411 48.195 -18.866 1.00 61.23 N ATOM 547 CA TYR A 42 43.331 49.288 -17.904 1.00 72.30 C ATOM 548 C TYR A 42 44.552 50.196 -18.009 1.00 0.40 C ATOM 549 O TYR A 42 44.503 51.367 -17.633 1.00 21.15 O ATOM 550 CB TYR A 42 43.213 48.736 -16.482 1.00 43.31 C ATOM 551 CG TYR A 42 41.808 48.316 -16.111 1.00 33.11 C ATOM 552 CD1 TYR A 42 41.101 47.414 -16.897 1.00 30.14 C ATOM 553 CD2 TYR A 42 41.188 48.821 -14.975 1.00 44.33 C ATOM 554 CE1 TYR A 42 39.818 47.027 -16.563 1.00 73.14 C ATOM 555 CE2 TYR A 42 39.905 48.439 -14.632 1.00 3.01 C ATOM 556 CZ TYR A 42 39.225 47.542 -15.429 1.00 23.21 C ATOM 557 OH TYR A 42 37.946 47.160 -15.091 1.00 3.14 O ATOM 0 H TYR A 42 43.443 47.266 -18.447 1.00 61.23 H new ATOM 0 HA TYR A 42 42.442 49.876 -18.133 1.00 72.30 H new ATOM 0 HB2 TYR A 42 43.879 47.880 -16.377 1.00 43.31 H new ATOM 0 HB3 TYR A 42 43.555 49.494 -15.777 1.00 43.31 H new ATOM 0 HD1 TYR A 42 41.563 47.008 -17.785 1.00 30.14 H new ATOM 0 HD2 TYR A 42 41.718 49.524 -14.349 1.00 44.33 H new ATOM 0 HE1 TYR A 42 39.282 46.326 -17.186 1.00 73.14 H new ATOM 0 HE2 TYR A 42 39.438 48.840 -13.745 1.00 3.01 H new ATOM 0 HH TYR A 42 37.677 47.613 -14.265 1.00 3.14 H new ATOM 567 N ALA A 43 45.648 49.647 -18.523 1.00 21.11 N ATOM 568 CA ALA A 43 46.882 50.406 -18.680 1.00 32.00 C ATOM 569 C ALA A 43 46.660 51.640 -19.550 1.00 23.42 C ATOM 570 O ALA A 43 47.476 52.561 -19.556 1.00 60.23 O ATOM 571 CB ALA A 43 47.971 49.526 -19.276 1.00 42.32 C ATOM 0 H ALA A 43 45.706 48.679 -18.838 1.00 21.11 H new ATOM 0 HA ALA A 43 47.202 50.742 -17.693 1.00 32.00 H new ATOM 0 HB1 ALA A 43 48.887 50.106 -19.388 1.00 42.32 H new ATOM 0 HB2 ALA A 43 48.156 48.679 -18.616 1.00 42.32 H new ATOM 0 HB3 ALA A 43 47.651 49.162 -20.252 1.00 42.32 H new ATOM 577 N ALA A 44 45.552 51.649 -20.284 1.00 32.12 N ATOM 578 CA ALA A 44 45.223 52.769 -21.156 1.00 54.00 C ATOM 579 C ALA A 44 44.645 53.933 -20.359 1.00 4.10 C ATOM 580 O ALA A 44 44.495 55.038 -20.879 1.00 45.54 O ATOM 581 CB ALA A 44 44.246 52.329 -22.236 1.00 21.51 C ATOM 0 H ALA A 44 44.867 50.893 -20.292 1.00 32.12 H new ATOM 0 HA ALA A 44 46.143 53.109 -21.632 1.00 54.00 H new ATOM 0 HB1 ALA A 44 44.009 53.176 -22.880 1.00 21.51 H new ATOM 0 HB2 ALA A 44 44.696 51.535 -22.832 1.00 21.51 H new ATOM 0 HB3 ALA A 44 43.332 51.960 -21.771 1.00 21.51 H new ATOM 587 N ASN A 45 44.321 53.677 -19.096 1.00 72.12 N ATOM 588 CA ASN A 45 43.757 54.705 -18.228 1.00 21.52 C ATOM 589 C ASN A 45 44.796 55.203 -17.228 1.00 62.01 C ATOM 590 O ASN A 45 45.264 56.338 -17.318 1.00 73.22 O ATOM 591 CB ASN A 45 42.537 54.159 -17.484 1.00 30.40 C ATOM 592 CG ASN A 45 41.610 55.261 -17.007 1.00 43.21 C ATOM 593 OD1 ASN A 45 40.490 55.401 -17.498 1.00 72.34 O ATOM 594 ND2 ASN A 45 42.075 56.050 -16.046 1.00 71.43 N ATOM 0 H ASN A 45 44.439 52.767 -18.651 1.00 72.12 H new ATOM 0 HA ASN A 45 43.449 55.544 -18.852 1.00 21.52 H new ATOM 0 HB2 ASN A 45 41.987 53.484 -18.140 1.00 30.40 H new ATOM 0 HB3 ASN A 45 42.870 53.572 -16.628 1.00 30.40 H new ATOM 0 HD21 ASN A 45 41.497 56.809 -15.685 1.00 71.43 H new ATOM 0 HD22 ASN A 45 43.010 55.897 -15.668 1.00 71.43 H new ATOM 601 N ILE A 46 45.152 54.345 -16.277 1.00 10.01 N ATOM 602 CA ILE A 46 46.137 54.697 -15.262 1.00 12.12 C ATOM 603 C ILE A 46 47.291 53.700 -15.246 1.00 44.50 C ATOM 604 O ILE A 46 48.417 54.031 -15.617 1.00 65.13 O ATOM 605 CB ILE A 46 45.503 54.755 -13.859 1.00 12.25 C ATOM 606 CG1 ILE A 46 44.206 53.947 -13.829 1.00 63.54 C ATOM 607 CG2 ILE A 46 45.244 56.199 -13.455 1.00 22.00 C ATOM 608 CD1 ILE A 46 43.773 53.549 -12.434 1.00 14.13 C ATOM 0 H ILE A 46 44.773 53.402 -16.189 1.00 10.01 H new ATOM 0 HA ILE A 46 46.518 55.685 -15.521 1.00 12.12 H new ATOM 0 HB ILE A 46 46.198 54.317 -13.143 1.00 12.25 H new ATOM 0 HG12 ILE A 46 43.412 54.532 -14.294 1.00 63.54 H new ATOM 0 HG13 ILE A 46 44.334 53.048 -14.431 1.00 63.54 H new ATOM 0 HG21 ILE A 46 44.796 56.224 -12.462 1.00 22.00 H new ATOM 0 HG22 ILE A 46 46.186 56.748 -13.442 1.00 22.00 H new ATOM 0 HG23 ILE A 46 44.565 56.661 -14.171 1.00 22.00 H new ATOM 0 HD11 ILE A 46 42.846 52.979 -12.490 1.00 14.13 H new ATOM 0 HD12 ILE A 46 44.548 52.937 -11.973 1.00 14.13 H new ATOM 0 HD13 ILE A 46 43.613 54.444 -11.833 1.00 14.13 H new ATOM 620 N VAL A 47 47.002 52.477 -14.814 1.00 22.02 N ATOM 621 CA VAL A 47 48.014 51.429 -14.752 1.00 13.10 C ATOM 622 C VAL A 47 47.522 50.150 -15.419 1.00 61.04 C ATOM 623 O VAL A 47 46.340 50.016 -15.731 1.00 62.21 O ATOM 624 CB VAL A 47 48.410 51.117 -13.296 1.00 3.33 C ATOM 625 CG1 VAL A 47 49.829 50.572 -13.235 1.00 54.14 C ATOM 626 CG2 VAL A 47 48.269 52.358 -12.429 1.00 30.10 C ATOM 0 H VAL A 47 46.075 52.187 -14.502 1.00 22.02 H new ATOM 0 HA VAL A 47 48.888 51.801 -15.287 1.00 13.10 H new ATOM 0 HB VAL A 47 47.736 50.353 -12.909 1.00 3.33 H new ATOM 0 HG11 VAL A 47 50.092 50.357 -12.199 1.00 54.14 H new ATOM 0 HG12 VAL A 47 49.893 49.656 -13.823 1.00 54.14 H new ATOM 0 HG13 VAL A 47 50.520 51.311 -13.639 1.00 54.14 H new ATOM 0 HG21 VAL A 47 48.553 52.120 -11.404 1.00 30.10 H new ATOM 0 HG22 VAL A 47 48.919 53.145 -12.812 1.00 30.10 H new ATOM 0 HG23 VAL A 47 47.234 52.700 -12.449 1.00 30.10 H new ATOM 636 N ASN A 48 48.438 49.211 -15.634 1.00 15.24 N ATOM 637 CA ASN A 48 48.097 47.940 -16.264 1.00 15.14 C ATOM 638 C ASN A 48 47.526 46.963 -15.243 1.00 72.44 C ATOM 639 O ASN A 48 47.722 45.752 -15.349 1.00 33.43 O ATOM 640 CB ASN A 48 49.332 47.333 -16.934 1.00 75.20 C ATOM 641 CG ASN A 48 50.541 47.323 -16.018 1.00 63.35 C ATOM 642 OD1 ASN A 48 50.557 46.631 -15.000 1.00 2.10 O ATOM 643 ND2 ASN A 48 51.561 48.093 -16.377 1.00 14.33 N ATOM 0 H ASN A 48 49.422 49.306 -15.381 1.00 15.24 H new ATOM 0 HA ASN A 48 47.337 48.130 -17.022 1.00 15.14 H new ATOM 0 HB2 ASN A 48 49.108 46.313 -17.247 1.00 75.20 H new ATOM 0 HB3 ASN A 48 49.567 47.898 -17.836 1.00 75.20 H new ATOM 0 HD21 ASN A 48 52.402 48.127 -15.800 1.00 14.33 H new ATOM 0 HD22 ASN A 48 51.504 48.650 -17.229 1.00 14.33 H new ATOM 650 N VAL A 49 46.818 47.496 -14.252 1.00 0.51 N ATOM 651 CA VAL A 49 46.215 46.671 -13.213 1.00 75.53 C ATOM 652 C VAL A 49 44.694 46.701 -13.299 1.00 62.01 C ATOM 653 O VAL A 49 44.099 47.739 -13.588 1.00 54.15 O ATOM 654 CB VAL A 49 46.648 47.133 -11.808 1.00 4.33 C ATOM 655 CG1 VAL A 49 46.341 48.611 -11.614 1.00 3.14 C ATOM 656 CG2 VAL A 49 45.967 46.295 -10.738 1.00 34.30 C ATOM 0 H VAL A 49 46.648 48.496 -14.147 1.00 0.51 H new ATOM 0 HA VAL A 49 46.564 45.652 -13.377 1.00 75.53 H new ATOM 0 HB VAL A 49 47.725 46.994 -11.715 1.00 4.33 H new ATOM 0 HG11 VAL A 49 46.653 48.920 -10.616 1.00 3.14 H new ATOM 0 HG12 VAL A 49 46.880 49.195 -12.360 1.00 3.14 H new ATOM 0 HG13 VAL A 49 45.270 48.778 -11.727 1.00 3.14 H new ATOM 0 HG21 VAL A 49 46.285 46.635 -9.752 1.00 34.30 H new ATOM 0 HG22 VAL A 49 44.886 46.400 -10.827 1.00 34.30 H new ATOM 0 HG23 VAL A 49 46.242 45.248 -10.866 1.00 34.30 H new ATOM 666 N SER A 50 44.069 45.555 -13.046 1.00 34.40 N ATOM 667 CA SER A 50 42.617 45.448 -13.098 1.00 45.33 C ATOM 668 C SER A 50 42.145 44.136 -12.479 1.00 3.15 C ATOM 669 O SER A 50 42.954 43.305 -12.067 1.00 21.21 O ATOM 670 CB SER A 50 42.128 45.547 -14.545 1.00 72.00 C ATOM 671 OG SER A 50 41.675 44.291 -15.017 1.00 44.21 O ATOM 0 H SER A 50 44.547 44.687 -12.803 1.00 34.40 H new ATOM 0 HA SER A 50 42.197 46.273 -12.522 1.00 45.33 H new ATOM 0 HB2 SER A 50 41.321 46.276 -14.610 1.00 72.00 H new ATOM 0 HB3 SER A 50 42.936 45.908 -15.181 1.00 72.00 H new ATOM 0 HG SER A 50 41.367 44.381 -15.943 1.00 44.21 H new ATOM 677 N LEU A 51 40.830 43.957 -12.418 1.00 45.41 N ATOM 678 CA LEU A 51 40.248 42.747 -11.849 1.00 32.51 C ATOM 679 C LEU A 51 38.933 42.398 -12.538 1.00 4.52 C ATOM 680 O LEU A 51 38.527 43.059 -13.495 1.00 53.21 O ATOM 681 CB LEU A 51 40.019 42.924 -10.347 1.00 64.54 C ATOM 682 CG LEU A 51 41.275 42.951 -9.475 1.00 70.44 C ATOM 683 CD1 LEU A 51 40.986 43.631 -8.146 1.00 0.22 C ATOM 684 CD2 LEU A 51 41.799 41.540 -9.252 1.00 72.33 C ATOM 0 H LEU A 51 40.147 44.635 -12.756 1.00 45.41 H new ATOM 0 HA LEU A 51 40.949 41.928 -12.009 1.00 32.51 H new ATOM 0 HB2 LEU A 51 39.472 43.854 -10.190 1.00 64.54 H new ATOM 0 HB3 LEU A 51 39.377 42.114 -10.000 1.00 64.54 H new ATOM 0 HG LEU A 51 42.043 43.524 -9.994 1.00 70.44 H new ATOM 0 HD11 LEU A 51 41.891 43.641 -7.538 1.00 0.22 H new ATOM 0 HD12 LEU A 51 40.657 44.655 -8.325 1.00 0.22 H new ATOM 0 HD13 LEU A 51 40.202 43.085 -7.621 1.00 0.22 H new ATOM 0 HD21 LEU A 51 42.693 41.578 -8.630 1.00 72.33 H new ATOM 0 HD22 LEU A 51 41.035 40.943 -8.754 1.00 72.33 H new ATOM 0 HD23 LEU A 51 42.045 41.087 -10.213 1.00 72.33 H new ATOM 696 N VAL A 52 38.269 41.357 -12.045 1.00 11.45 N ATOM 697 CA VAL A 52 36.998 40.923 -12.611 1.00 4.13 C ATOM 698 C VAL A 52 35.858 41.125 -11.620 1.00 24.23 C ATOM 699 O VAL A 52 34.690 40.913 -11.948 1.00 25.15 O ATOM 700 CB VAL A 52 37.046 39.440 -13.028 1.00 50.54 C ATOM 701 CG1 VAL A 52 37.059 38.541 -11.802 1.00 42.54 C ATOM 702 CG2 VAL A 52 35.871 39.104 -13.934 1.00 41.12 C ATOM 0 H VAL A 52 38.591 40.799 -11.254 1.00 11.45 H new ATOM 0 HA VAL A 52 36.819 41.535 -13.495 1.00 4.13 H new ATOM 0 HB VAL A 52 37.966 39.266 -13.585 1.00 50.54 H new ATOM 0 HG11 VAL A 52 37.093 37.498 -12.116 1.00 42.54 H new ATOM 0 HG12 VAL A 52 37.936 38.766 -11.195 1.00 42.54 H new ATOM 0 HG13 VAL A 52 36.157 38.714 -11.215 1.00 42.54 H new ATOM 0 HG21 VAL A 52 35.920 38.053 -14.219 1.00 41.12 H new ATOM 0 HG22 VAL A 52 34.937 39.293 -13.404 1.00 41.12 H new ATOM 0 HG23 VAL A 52 35.912 39.725 -14.829 1.00 41.12 H new ATOM 712 N LYS A 53 36.204 41.536 -10.405 1.00 62.00 N ATOM 713 CA LYS A 53 35.209 41.768 -9.364 1.00 54.33 C ATOM 714 C LYS A 53 34.229 42.860 -9.782 1.00 72.42 C ATOM 715 O LYS A 53 33.012 42.677 -9.755 1.00 71.01 O ATOM 716 CB LYS A 53 35.896 42.160 -8.053 1.00 1.42 C ATOM 717 CG LYS A 53 35.013 42.974 -7.124 1.00 52.01 C ATOM 718 CD LYS A 53 33.740 42.224 -6.764 1.00 14.44 C ATOM 719 CE LYS A 53 33.680 41.911 -5.277 1.00 71.43 C ATOM 720 NZ LYS A 53 32.278 41.760 -4.800 1.00 53.15 N ATOM 0 H LYS A 53 37.166 41.715 -10.117 1.00 62.00 H new ATOM 0 HA LYS A 53 34.653 40.843 -9.214 1.00 54.33 H new ATOM 0 HB2 LYS A 53 36.217 41.256 -7.536 1.00 1.42 H new ATOM 0 HB3 LYS A 53 36.795 42.733 -8.281 1.00 1.42 H new ATOM 0 HG2 LYS A 53 35.564 43.214 -6.215 1.00 52.01 H new ATOM 0 HG3 LYS A 53 34.756 43.920 -7.601 1.00 52.01 H new ATOM 0 HD2 LYS A 53 32.873 42.820 -7.047 1.00 14.44 H new ATOM 0 HD3 LYS A 53 33.689 41.297 -7.335 1.00 14.44 H new ATOM 0 HE2 LYS A 53 34.233 40.993 -5.076 1.00 71.43 H new ATOM 0 HE3 LYS A 53 34.170 42.708 -4.718 1.00 71.43 H new ATOM 0 HZ1 LYS A 53 32.279 41.547 -3.782 1.00 53.15 H new ATOM 0 HZ2 LYS A 53 31.757 42.644 -4.969 1.00 53.15 H new ATOM 0 HZ3 LYS A 53 31.818 40.983 -5.316 1.00 53.15 H new ATOM 734 N PRO A 54 34.769 44.021 -10.179 1.00 0.32 N ATOM 735 CA PRO A 54 33.959 45.163 -10.613 1.00 2.44 C ATOM 736 C PRO A 54 33.271 44.912 -11.951 1.00 13.44 C ATOM 737 O PRO A 54 32.428 45.697 -12.385 1.00 13.44 O ATOM 738 CB PRO A 54 34.982 46.295 -10.741 1.00 44.51 C ATOM 739 CG PRO A 54 36.278 45.607 -10.993 1.00 20.30 C ATOM 740 CD PRO A 54 36.212 44.309 -10.238 1.00 74.14 C ATOM 0 HA PRO A 54 33.150 45.378 -9.915 1.00 2.44 H new ATOM 0 HB2 PRO A 54 34.726 46.969 -11.558 1.00 44.51 H new ATOM 0 HB3 PRO A 54 35.023 46.896 -9.833 1.00 44.51 H new ATOM 0 HG2 PRO A 54 36.426 45.431 -12.059 1.00 20.30 H new ATOM 0 HG3 PRO A 54 37.115 46.215 -10.651 1.00 20.30 H new ATOM 0 HD2 PRO A 54 36.759 43.518 -10.751 1.00 74.14 H new ATOM 0 HD3 PRO A 54 36.644 44.401 -9.242 1.00 74.14 H new ATOM 748 N THR A 55 33.636 43.811 -12.601 1.00 14.55 N ATOM 749 CA THR A 55 33.055 43.457 -13.890 1.00 52.22 C ATOM 750 C THR A 55 31.797 42.615 -13.713 1.00 63.30 C ATOM 751 O THR A 55 31.091 42.325 -14.679 1.00 74.43 O ATOM 752 CB THR A 55 34.059 42.682 -14.765 1.00 34.14 C ATOM 753 OG1 THR A 55 34.107 41.310 -14.358 1.00 54.55 O ATOM 754 CG2 THR A 55 35.448 43.294 -14.666 1.00 11.42 C ATOM 0 H THR A 55 34.331 43.149 -12.256 1.00 14.55 H new ATOM 0 HA THR A 55 32.796 44.392 -14.388 1.00 52.22 H new ATOM 0 HB THR A 55 33.726 42.742 -15.801 1.00 34.14 H new ATOM 0 HG1 THR A 55 34.151 41.260 -13.380 1.00 54.55 H new ATOM 0 HG21 THR A 55 36.140 42.730 -15.292 1.00 11.42 H new ATOM 0 HG22 THR A 55 35.414 44.330 -15.004 1.00 11.42 H new ATOM 0 HG23 THR A 55 35.787 43.261 -13.631 1.00 11.42 H new ATOM 762 N VAL A 56 31.521 42.225 -12.473 1.00 62.42 N ATOM 763 CA VAL A 56 30.346 41.417 -12.169 1.00 14.13 C ATOM 764 C VAL A 56 29.075 42.078 -12.689 1.00 51.41 C ATOM 765 O VAL A 56 28.098 41.403 -13.011 1.00 64.31 O ATOM 766 CB VAL A 56 30.205 41.179 -10.654 1.00 61.53 C ATOM 767 CG1 VAL A 56 31.359 40.333 -10.136 1.00 5.10 C ATOM 768 CG2 VAL A 56 30.130 42.504 -9.911 1.00 34.12 C ATOM 0 H VAL A 56 32.095 42.456 -11.662 1.00 62.42 H new ATOM 0 HA VAL A 56 30.484 40.458 -12.668 1.00 14.13 H new ATOM 0 HB VAL A 56 29.278 40.635 -10.475 1.00 61.53 H new ATOM 0 HG11 VAL A 56 31.242 40.176 -9.064 1.00 5.10 H new ATOM 0 HG12 VAL A 56 31.362 39.370 -10.646 1.00 5.10 H new ATOM 0 HG13 VAL A 56 32.301 40.847 -10.327 1.00 5.10 H new ATOM 0 HG21 VAL A 56 30.031 42.316 -8.842 1.00 34.12 H new ATOM 0 HG22 VAL A 56 31.039 43.077 -10.096 1.00 34.12 H new ATOM 0 HG23 VAL A 56 29.267 43.070 -10.262 1.00 34.12 H new ATOM 778 N TYR A 57 29.095 43.404 -12.769 1.00 54.42 N ATOM 779 CA TYR A 57 27.943 44.158 -13.247 1.00 41.32 C ATOM 780 C TYR A 57 27.443 43.604 -14.578 1.00 71.51 C ATOM 781 O TYR A 57 26.242 43.582 -14.843 1.00 62.51 O ATOM 782 CB TYR A 57 28.303 45.637 -13.402 1.00 73.23 C ATOM 783 CG TYR A 57 29.109 45.937 -14.646 1.00 73.14 C ATOM 784 CD1 TYR A 57 30.423 45.501 -14.768 1.00 44.23 C ATOM 785 CD2 TYR A 57 28.557 46.656 -15.698 1.00 43.12 C ATOM 786 CE1 TYR A 57 31.163 45.774 -15.902 1.00 1.20 C ATOM 787 CE2 TYR A 57 29.289 46.932 -16.837 1.00 1.21 C ATOM 788 CZ TYR A 57 30.591 46.489 -16.934 1.00 54.41 C ATOM 789 OH TYR A 57 31.325 46.761 -18.066 1.00 0.35 O ATOM 0 H TYR A 57 29.897 43.979 -12.509 1.00 54.42 H new ATOM 0 HA TYR A 57 27.146 44.060 -12.510 1.00 41.32 H new ATOM 0 HB2 TYR A 57 27.386 46.225 -13.423 1.00 73.23 H new ATOM 0 HB3 TYR A 57 28.868 45.958 -12.527 1.00 73.23 H new ATOM 0 HD1 TYR A 57 30.873 44.939 -13.963 1.00 44.23 H new ATOM 0 HD2 TYR A 57 27.538 47.006 -15.625 1.00 43.12 H new ATOM 0 HE1 TYR A 57 32.184 45.430 -15.980 1.00 1.20 H new ATOM 0 HE2 TYR A 57 28.844 47.491 -17.646 1.00 1.21 H new ATOM 0 HH TYR A 57 30.776 47.272 -18.697 1.00 0.35 H new ATOM 799 N VAL A 58 28.376 43.154 -15.411 1.00 1.14 N ATOM 800 CA VAL A 58 28.032 42.597 -16.715 1.00 73.30 C ATOM 801 C VAL A 58 27.559 41.154 -16.587 1.00 70.43 C ATOM 802 O VAL A 58 26.789 40.666 -17.415 1.00 41.13 O ATOM 803 CB VAL A 58 29.231 42.649 -17.681 1.00 3.42 C ATOM 804 CG1 VAL A 58 30.178 41.488 -17.421 1.00 12.24 C ATOM 805 CG2 VAL A 58 28.751 42.644 -19.125 1.00 43.25 C ATOM 0 H VAL A 58 29.375 43.164 -15.207 1.00 1.14 H new ATOM 0 HA VAL A 58 27.224 43.207 -17.118 1.00 73.30 H new ATOM 0 HB VAL A 58 29.777 43.576 -17.506 1.00 3.42 H new ATOM 0 HG11 VAL A 58 31.018 41.542 -18.113 1.00 12.24 H new ATOM 0 HG12 VAL A 58 30.547 41.542 -16.397 1.00 12.24 H new ATOM 0 HG13 VAL A 58 29.648 40.547 -17.566 1.00 12.24 H new ATOM 0 HG21 VAL A 58 29.611 42.681 -19.794 1.00 43.25 H new ATOM 0 HG22 VAL A 58 28.181 41.734 -19.316 1.00 43.25 H new ATOM 0 HG23 VAL A 58 28.117 43.513 -19.301 1.00 43.25 H new ATOM 815 N TYR A 59 28.024 40.474 -15.545 1.00 14.14 N ATOM 816 CA TYR A 59 27.651 39.084 -15.310 1.00 44.55 C ATOM 817 C TYR A 59 26.136 38.909 -15.375 1.00 15.31 C ATOM 818 O TYR A 59 25.634 37.984 -16.013 1.00 74.31 O ATOM 819 CB TYR A 59 28.171 38.617 -13.950 1.00 52.23 C ATOM 820 CG TYR A 59 28.075 37.122 -13.745 1.00 14.13 C ATOM 821 CD1 TYR A 59 28.516 36.239 -14.721 1.00 23.32 C ATOM 822 CD2 TYR A 59 27.545 36.595 -12.575 1.00 60.44 C ATOM 823 CE1 TYR A 59 28.430 34.872 -14.539 1.00 63.02 C ATOM 824 CE2 TYR A 59 27.455 35.229 -12.382 1.00 0.15 C ATOM 825 CZ TYR A 59 27.900 34.372 -13.368 1.00 42.53 C ATOM 826 OH TYR A 59 27.813 33.011 -13.182 1.00 52.32 O ATOM 0 H TYR A 59 28.660 40.863 -14.849 1.00 14.14 H new ATOM 0 HA TYR A 59 28.104 38.475 -16.093 1.00 44.55 H new ATOM 0 HB2 TYR A 59 29.212 38.924 -13.844 1.00 52.23 H new ATOM 0 HB3 TYR A 59 27.609 39.120 -13.163 1.00 52.23 H new ATOM 0 HD1 TYR A 59 28.933 36.627 -15.638 1.00 23.32 H new ATOM 0 HD2 TYR A 59 27.197 37.264 -11.802 1.00 60.44 H new ATOM 0 HE1 TYR A 59 28.776 34.199 -15.309 1.00 63.02 H new ATOM 0 HE2 TYR A 59 27.039 34.835 -11.466 1.00 0.15 H new ATOM 0 HH TYR A 59 27.418 32.825 -12.305 1.00 52.32 H new ATOM 836 N SER A 60 25.415 39.806 -14.710 1.00 1.41 N ATOM 837 CA SER A 60 23.958 39.751 -14.689 1.00 50.11 C ATOM 838 C SER A 60 23.375 40.266 -16.001 1.00 32.43 C ATOM 839 O SER A 60 22.405 39.713 -16.522 1.00 54.53 O ATOM 840 CB SER A 60 23.412 40.571 -13.519 1.00 72.00 C ATOM 841 OG SER A 60 24.189 41.737 -13.307 1.00 52.32 O ATOM 0 H SER A 60 25.816 40.579 -14.179 1.00 1.41 H new ATOM 0 HA SER A 60 23.661 38.710 -14.564 1.00 50.11 H new ATOM 0 HB2 SER A 60 22.378 40.851 -13.718 1.00 72.00 H new ATOM 0 HB3 SER A 60 23.409 39.963 -12.615 1.00 72.00 H new ATOM 0 HG SER A 60 23.819 42.245 -12.555 1.00 52.32 H new ATOM 847 N ARG A 61 23.974 41.327 -16.531 1.00 42.33 N ATOM 848 CA ARG A 61 23.515 41.919 -17.781 1.00 2.34 C ATOM 849 C ARG A 61 23.437 40.867 -18.885 1.00 52.24 C ATOM 850 O ARG A 61 22.370 40.617 -19.444 1.00 23.05 O ATOM 851 CB ARG A 61 24.450 43.052 -18.208 1.00 21.22 C ATOM 852 CG ARG A 61 24.602 44.144 -17.161 1.00 63.44 C ATOM 853 CD ARG A 61 23.726 45.346 -17.479 1.00 61.11 C ATOM 854 NE ARG A 61 24.341 46.599 -17.050 1.00 11.22 N ATOM 855 CZ ARG A 61 23.664 47.729 -16.879 1.00 30.02 C ATOM 856 NH1 ARG A 61 22.358 47.763 -17.100 1.00 42.43 N ATOM 857 NH2 ARG A 61 24.295 48.829 -16.487 1.00 1.10 N ATOM 0 H ARG A 61 24.779 41.794 -16.114 1.00 42.33 H new ATOM 0 HA ARG A 61 22.516 42.324 -17.616 1.00 2.34 H new ATOM 0 HB2 ARG A 61 25.432 42.636 -18.432 1.00 21.22 H new ATOM 0 HB3 ARG A 61 24.073 43.494 -19.130 1.00 21.22 H new ATOM 0 HG2 ARG A 61 24.337 43.749 -16.180 1.00 63.44 H new ATOM 0 HG3 ARG A 61 25.645 44.456 -17.108 1.00 63.44 H new ATOM 0 HD2 ARG A 61 23.537 45.383 -18.552 1.00 61.11 H new ATOM 0 HD3 ARG A 61 22.759 45.230 -16.989 1.00 61.11 H new ATOM 0 HE ARG A 61 25.345 46.607 -16.872 1.00 11.22 H new ATOM 0 HH11 ARG A 61 21.870 46.920 -17.402 1.00 42.43 H new ATOM 0 HH12 ARG A 61 21.841 48.632 -16.968 1.00 42.43 H new ATOM 0 HH21 ARG A 61 25.300 48.807 -16.317 1.00 1.10 H new ATOM 0 HH22 ARG A 61 23.774 49.696 -16.356 1.00 1.10 H new ATOM 871 N VAL A 62 24.576 40.253 -19.192 1.00 52.53 N ATOM 872 CA VAL A 62 24.637 39.229 -20.226 1.00 22.05 C ATOM 873 C VAL A 62 23.603 38.136 -19.979 1.00 13.03 C ATOM 874 O VAL A 62 23.001 37.613 -20.917 1.00 70.44 O ATOM 875 CB VAL A 62 26.036 38.589 -20.301 1.00 55.45 C ATOM 876 CG1 VAL A 62 27.070 39.614 -20.740 1.00 4.41 C ATOM 877 CG2 VAL A 62 26.415 37.980 -18.959 1.00 52.41 C ATOM 0 H VAL A 62 25.469 40.448 -18.738 1.00 52.53 H new ATOM 0 HA VAL A 62 24.420 39.723 -21.173 1.00 22.05 H new ATOM 0 HB VAL A 62 26.012 37.792 -21.044 1.00 55.45 H new ATOM 0 HG11 VAL A 62 28.052 39.143 -20.787 1.00 4.41 H new ATOM 0 HG12 VAL A 62 26.805 40.000 -21.724 1.00 4.41 H new ATOM 0 HG13 VAL A 62 27.095 40.435 -20.024 1.00 4.41 H new ATOM 0 HG21 VAL A 62 27.406 37.532 -19.030 1.00 52.41 H new ATOM 0 HG22 VAL A 62 26.422 38.758 -18.195 1.00 52.41 H new ATOM 0 HG23 VAL A 62 25.689 37.213 -18.689 1.00 52.41 H new ATOM 887 N LYS A 63 23.402 37.796 -18.711 1.00 70.10 N ATOM 888 CA LYS A 63 22.439 36.766 -18.339 1.00 51.43 C ATOM 889 C LYS A 63 21.016 37.205 -18.670 1.00 13.22 C ATOM 890 O LYS A 63 20.222 36.425 -19.192 1.00 60.34 O ATOM 891 CB LYS A 63 22.551 36.450 -16.845 1.00 31.21 C ATOM 892 CG LYS A 63 21.672 35.295 -16.400 1.00 61.31 C ATOM 893 CD LYS A 63 21.506 35.270 -14.890 1.00 51.34 C ATOM 894 CE LYS A 63 20.421 36.233 -14.432 1.00 1.24 C ATOM 895 NZ LYS A 63 19.866 35.853 -13.104 1.00 53.13 N ATOM 0 H LYS A 63 23.893 38.219 -17.923 1.00 70.10 H new ATOM 0 HA LYS A 63 22.666 35.868 -18.913 1.00 51.43 H new ATOM 0 HB2 LYS A 63 23.589 36.217 -16.608 1.00 31.21 H new ATOM 0 HB3 LYS A 63 22.285 37.339 -16.273 1.00 31.21 H new ATOM 0 HG2 LYS A 63 20.694 35.378 -16.873 1.00 61.31 H new ATOM 0 HG3 LYS A 63 22.109 34.354 -16.734 1.00 61.31 H new ATOM 0 HD2 LYS A 63 21.257 34.259 -14.567 1.00 51.34 H new ATOM 0 HD3 LYS A 63 22.451 35.532 -14.415 1.00 51.34 H new ATOM 0 HE2 LYS A 63 20.830 37.242 -14.379 1.00 1.24 H new ATOM 0 HE3 LYS A 63 19.618 36.252 -15.169 1.00 1.24 H new ATOM 0 HZ1 LYS A 63 19.130 36.534 -12.828 1.00 53.13 H new ATOM 0 HZ2 LYS A 63 19.453 34.900 -13.160 1.00 53.13 H new ATOM 0 HZ3 LYS A 63 20.627 35.859 -12.395 1.00 53.13 H new ATOM 909 N ASN A 64 20.704 38.461 -18.366 1.00 73.14 N ATOM 910 CA ASN A 64 19.377 39.004 -18.632 1.00 40.21 C ATOM 911 C ASN A 64 19.078 38.999 -20.128 1.00 2.04 C ATOM 912 O ASN A 64 17.925 38.867 -20.542 1.00 63.12 O ATOM 913 CB ASN A 64 19.266 40.428 -18.084 1.00 73.44 C ATOM 914 CG ASN A 64 18.830 40.455 -16.632 1.00 45.55 C ATOM 915 OD1 ASN A 64 17.858 41.123 -16.276 1.00 23.54 O ATOM 916 ND2 ASN A 64 19.548 39.728 -15.784 1.00 12.13 N ATOM 0 H ASN A 64 21.352 39.121 -17.936 1.00 73.14 H new ATOM 0 HA ASN A 64 18.645 38.371 -18.130 1.00 40.21 H new ATOM 0 HB2 ASN A 64 20.230 40.928 -18.181 1.00 73.44 H new ATOM 0 HB3 ASN A 64 18.553 40.992 -18.685 1.00 73.44 H new ATOM 0 HD21 ASN A 64 19.302 39.708 -14.794 1.00 12.13 H new ATOM 0 HD22 ASN A 64 20.346 39.190 -16.122 1.00 12.13 H new ATOM 923 N LEU A 65 20.124 39.142 -20.935 1.00 41.32 N ATOM 924 CA LEU A 65 19.974 39.153 -22.386 1.00 12.05 C ATOM 925 C LEU A 65 19.814 37.737 -22.928 1.00 24.44 C ATOM 926 O LEU A 65 19.597 37.572 -24.128 1.00 10.11 O ATOM 927 CB LEU A 65 21.182 39.828 -23.038 1.00 32.42 C ATOM 928 CG LEU A 65 21.065 41.334 -23.271 1.00 0.44 C ATOM 929 CD1 LEU A 65 19.884 41.643 -24.177 1.00 2.35 C ATOM 930 CD2 LEU A 65 20.932 42.071 -21.947 1.00 71.14 C ATOM 0 H LEU A 65 21.084 39.252 -20.609 1.00 41.32 H new ATOM 0 HA LEU A 65 19.074 39.718 -22.629 1.00 12.05 H new ATOM 0 HB2 LEU A 65 22.056 39.644 -22.414 1.00 32.42 H new ATOM 0 HB3 LEU A 65 21.368 39.346 -23.998 1.00 32.42 H new ATOM 0 HG LEU A 65 21.974 41.678 -23.764 1.00 0.44 H new ATOM 0 HD11 LEU A 65 19.816 42.720 -24.332 1.00 2.35 H new ATOM 0 HD12 LEU A 65 20.022 41.146 -25.137 1.00 2.35 H new ATOM 0 HD13 LEU A 65 18.965 41.285 -23.712 1.00 2.35 H new ATOM 0 HD21 LEU A 65 20.850 43.142 -22.133 1.00 71.14 H new ATOM 0 HD22 LEU A 65 20.040 41.724 -21.425 1.00 71.14 H new ATOM 0 HD23 LEU A 65 21.811 41.876 -21.332 1.00 71.14 H new