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 Set 1.1: A 60 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 64 ASN : amide:sc= 0.156 X(o=0.16,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 89:sc= 1.15 USER MOD Single : A 35 THR OG1 : rot 77:sc= 0.628 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.785 K(o=-0.79,f=-2.2!) USER MOD Single : A 48 ASN : amide:sc= 0.378 K(o=0.38,f=-2!) USER MOD Single : A 50 SER OG : rot 177:sc= -1.17 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -37:sc= -0.208 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 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 13 35.966 6.462 -25.125 1.00 23.22 N ATOM 71 CA ILE A 13 35.931 6.812 -23.712 1.00 52.25 C ATOM 72 C ILE A 13 37.336 6.858 -23.121 1.00 64.31 C ATOM 73 O ILE A 13 37.614 7.640 -22.212 1.00 72.42 O ATOM 74 CB ILE A 13 35.078 5.814 -22.905 1.00 13.40 C ATOM 75 CG1 ILE A 13 34.884 6.317 -21.473 1.00 34.02 C ATOM 76 CG2 ILE A 13 35.729 4.440 -22.907 1.00 72.54 C ATOM 77 CD1 ILE A 13 34.209 7.669 -21.393 1.00 63.14 C ATOM 0 HA ILE A 13 35.479 7.801 -23.644 1.00 52.25 H new ATOM 0 HB ILE A 13 34.098 5.731 -23.376 1.00 13.40 H new ATOM 0 HG12 ILE A 13 34.290 5.590 -20.919 1.00 34.02 H new ATOM 0 HG13 ILE A 13 35.856 6.375 -20.982 1.00 34.02 H new ATOM 0 HG21 ILE A 13 35.115 3.746 -22.333 1.00 72.54 H new ATOM 0 HG22 ILE A 13 35.820 4.082 -23.932 1.00 72.54 H new ATOM 0 HG23 ILE A 13 36.719 4.506 -22.457 1.00 72.54 H new ATOM 0 HD11 ILE A 13 34.104 7.962 -20.348 1.00 63.14 H new ATOM 0 HD12 ILE A 13 34.813 8.409 -21.919 1.00 63.14 H new ATOM 0 HD13 ILE A 13 33.223 7.611 -21.854 1.00 63.14 H new ATOM 89 N VAL A 14 38.219 6.013 -23.644 1.00 22.13 N ATOM 90 CA VAL A 14 39.596 5.957 -23.171 1.00 33.31 C ATOM 91 C VAL A 14 40.403 7.144 -23.686 1.00 51.22 C ATOM 92 O VAL A 14 41.331 7.611 -23.027 1.00 61.23 O ATOM 93 CB VAL A 14 40.288 4.653 -23.608 1.00 24.33 C ATOM 94 CG1 VAL A 14 40.566 4.671 -25.104 1.00 43.34 C ATOM 95 CG2 VAL A 14 41.573 4.441 -22.822 1.00 32.13 C ATOM 0 H VAL A 14 38.004 5.358 -24.396 1.00 22.13 H new ATOM 0 HA VAL A 14 39.557 5.992 -22.082 1.00 33.31 H new ATOM 0 HB VAL A 14 39.618 3.819 -23.396 1.00 24.33 H new ATOM 0 HG11 VAL A 14 41.055 3.741 -25.394 1.00 43.34 H new ATOM 0 HG12 VAL A 14 39.627 4.772 -25.647 1.00 43.34 H new ATOM 0 HG13 VAL A 14 41.216 5.513 -25.343 1.00 43.34 H new ATOM 0 HG21 VAL A 14 42.048 3.515 -23.145 1.00 32.13 H new ATOM 0 HG22 VAL A 14 42.250 5.277 -22.999 1.00 32.13 H new ATOM 0 HG23 VAL A 14 41.343 4.380 -21.758 1.00 32.13 H new ATOM 105 N ASN A 15 40.041 7.630 -24.869 1.00 31.44 N ATOM 106 CA ASN A 15 40.732 8.764 -25.474 1.00 44.02 C ATOM 107 C ASN A 15 40.118 10.082 -25.013 1.00 44.01 C ATOM 108 O ASN A 15 40.774 11.123 -25.031 1.00 32.00 O ATOM 109 CB ASN A 15 40.674 8.667 -27.000 1.00 31.42 C ATOM 110 CG ASN A 15 41.581 7.581 -27.545 1.00 21.23 C ATOM 111 OD1 ASN A 15 42.805 7.685 -27.473 1.00 74.10 O ATOM 112 ND2 ASN A 15 40.982 6.532 -28.095 1.00 71.44 N ATOM 0 H ASN A 15 39.274 7.257 -25.428 1.00 31.44 H new ATOM 0 HA ASN A 15 41.774 8.737 -25.154 1.00 44.02 H new ATOM 0 HB2 ASN A 15 39.648 8.469 -27.310 1.00 31.42 H new ATOM 0 HB3 ASN A 15 40.959 9.626 -27.433 1.00 31.42 H new ATOM 0 HD21 ASN A 15 41.540 5.770 -28.480 1.00 71.44 H new ATOM 0 HD22 ASN A 15 39.964 6.488 -28.133 1.00 71.44 H new ATOM 119 N SER A 16 38.856 10.029 -24.599 1.00 20.45 N ATOM 120 CA SER A 16 38.153 11.219 -24.136 1.00 14.34 C ATOM 121 C SER A 16 38.412 11.461 -22.652 1.00 30.42 C ATOM 122 O SER A 16 38.619 12.596 -22.223 1.00 50.23 O ATOM 123 CB SER A 16 36.650 11.079 -24.386 1.00 11.31 C ATOM 124 OG SER A 16 35.917 12.034 -23.639 1.00 54.21 O ATOM 0 H SER A 16 38.300 9.174 -24.575 1.00 20.45 H new ATOM 0 HA SER A 16 38.530 12.074 -24.697 1.00 14.34 H new ATOM 0 HB2 SER A 16 36.442 11.206 -25.448 1.00 11.31 H new ATOM 0 HB3 SER A 16 36.325 10.074 -24.115 1.00 11.31 H new ATOM 0 HG SER A 16 34.960 11.924 -23.818 1.00 54.21 H new ATOM 130 N VAL A 17 38.400 10.384 -21.873 1.00 0.13 N ATOM 131 CA VAL A 17 38.635 10.477 -20.437 1.00 32.11 C ATOM 132 C VAL A 17 40.093 10.808 -20.139 1.00 14.10 C ATOM 133 O VAL A 17 40.401 11.465 -19.144 1.00 62.10 O ATOM 134 CB VAL A 17 38.261 9.165 -19.721 1.00 51.42 C ATOM 135 CG1 VAL A 17 39.318 8.100 -19.972 1.00 4.41 C ATOM 136 CG2 VAL A 17 38.079 9.406 -18.230 1.00 2.33 C ATOM 0 H VAL A 17 38.230 9.437 -22.212 1.00 0.13 H new ATOM 0 HA VAL A 17 38.000 11.280 -20.064 1.00 32.11 H new ATOM 0 HB VAL A 17 37.315 8.806 -20.126 1.00 51.42 H new ATOM 0 HG11 VAL A 17 39.037 7.180 -19.459 1.00 4.41 H new ATOM 0 HG12 VAL A 17 39.395 7.909 -21.042 1.00 4.41 H new ATOM 0 HG13 VAL A 17 40.280 8.446 -19.595 1.00 4.41 H new ATOM 0 HG21 VAL A 17 37.815 8.469 -17.740 1.00 2.33 H new ATOM 0 HG22 VAL A 17 39.008 9.788 -17.807 1.00 2.33 H new ATOM 0 HG23 VAL A 17 37.283 10.134 -18.074 1.00 2.33 H new ATOM 146 N LEU A 18 40.988 10.350 -21.007 1.00 63.22 N ATOM 147 CA LEU A 18 42.415 10.596 -20.838 1.00 13.30 C ATOM 148 C LEU A 18 42.780 12.009 -21.286 1.00 4.31 C ATOM 149 O LEU A 18 43.526 12.714 -20.607 1.00 75.52 O ATOM 150 CB LEU A 18 43.228 9.572 -21.631 1.00 60.25 C ATOM 151 CG LEU A 18 44.694 9.418 -21.224 1.00 51.03 C ATOM 152 CD1 LEU A 18 45.239 8.076 -21.690 1.00 71.24 C ATOM 153 CD2 LEU A 18 45.527 10.559 -21.788 1.00 2.44 C ATOM 0 H LEU A 18 40.750 9.806 -21.836 1.00 63.22 H new ATOM 0 HA LEU A 18 42.652 10.496 -19.779 1.00 13.30 H new ATOM 0 HB2 LEU A 18 42.742 8.601 -21.537 1.00 60.25 H new ATOM 0 HB3 LEU A 18 43.191 9.847 -22.685 1.00 60.25 H new ATOM 0 HG LEU A 18 44.755 9.454 -20.136 1.00 51.03 H new ATOM 0 HD11 LEU A 18 46.283 7.984 -21.392 1.00 71.24 H new ATOM 0 HD12 LEU A 18 44.660 7.271 -21.237 1.00 71.24 H new ATOM 0 HD13 LEU A 18 45.165 8.010 -22.775 1.00 71.24 H new ATOM 0 HD21 LEU A 18 46.567 10.433 -21.488 1.00 2.44 H new ATOM 0 HD22 LEU A 18 45.460 10.555 -22.876 1.00 2.44 H new ATOM 0 HD23 LEU A 18 45.151 11.508 -21.405 1.00 2.44 H new ATOM 165 N LEU A 19 42.246 12.416 -22.432 1.00 34.33 N ATOM 166 CA LEU A 19 42.513 13.745 -22.972 1.00 75.43 C ATOM 167 C LEU A 19 41.855 14.822 -22.115 1.00 3.51 C ATOM 168 O LEU A 19 42.496 15.798 -21.723 1.00 63.33 O ATOM 169 CB LEU A 19 42.009 13.843 -24.412 1.00 14.43 C ATOM 170 CG LEU A 19 42.266 15.173 -25.123 1.00 43.23 C ATOM 171 CD1 LEU A 19 43.754 15.371 -25.366 1.00 51.44 C ATOM 172 CD2 LEU A 19 41.497 15.233 -26.435 1.00 64.21 C ATOM 0 H LEU A 19 41.625 11.845 -23.006 1.00 34.33 H new ATOM 0 HA LEU A 19 43.591 13.906 -22.960 1.00 75.43 H new ATOM 0 HB2 LEU A 19 42.474 13.047 -24.994 1.00 14.43 H new ATOM 0 HB3 LEU A 19 40.935 13.654 -24.414 1.00 14.43 H new ATOM 0 HG LEU A 19 41.914 15.980 -24.480 1.00 43.23 H new ATOM 0 HD11 LEU A 19 43.917 16.322 -25.873 1.00 51.44 H new ATOM 0 HD12 LEU A 19 44.281 15.373 -24.412 1.00 51.44 H new ATOM 0 HD13 LEU A 19 44.132 14.560 -25.988 1.00 51.44 H new ATOM 0 HD21 LEU A 19 41.691 16.186 -26.927 1.00 64.21 H new ATOM 0 HD22 LEU A 19 41.818 14.417 -27.083 1.00 64.21 H new ATOM 0 HD23 LEU A 19 40.430 15.139 -26.236 1.00 64.21 H new ATOM 184 N PHE A 20 40.571 14.638 -21.826 1.00 63.03 N ATOM 185 CA PHE A 20 39.825 15.593 -21.015 1.00 50.44 C ATOM 186 C PHE A 20 40.568 15.901 -19.718 1.00 45.43 C ATOM 187 O PHE A 20 40.585 17.043 -19.256 1.00 50.14 O ATOM 188 CB PHE A 20 38.430 15.048 -20.700 1.00 70.22 C ATOM 189 CG PHE A 20 37.515 16.064 -20.079 1.00 1.15 C ATOM 190 CD1 PHE A 20 37.679 16.448 -18.758 1.00 25.12 C ATOM 191 CD2 PHE A 20 36.491 16.636 -20.818 1.00 15.03 C ATOM 192 CE1 PHE A 20 36.838 17.382 -18.185 1.00 43.42 C ATOM 193 CE2 PHE A 20 35.647 17.572 -20.250 1.00 33.41 C ATOM 194 CZ PHE A 20 35.821 17.946 -18.931 1.00 61.10 C ATOM 0 H PHE A 20 40.025 13.836 -22.141 1.00 63.03 H new ATOM 0 HA PHE A 20 39.726 16.517 -21.585 1.00 50.44 H new ATOM 0 HB2 PHE A 20 37.977 14.677 -21.620 1.00 70.22 H new ATOM 0 HB3 PHE A 20 38.525 14.197 -20.026 1.00 70.22 H new ATOM 0 HD1 PHE A 20 38.473 16.012 -18.170 1.00 25.12 H new ATOM 0 HD2 PHE A 20 36.351 16.347 -21.849 1.00 15.03 H new ATOM 0 HE1 PHE A 20 36.975 17.671 -17.154 1.00 43.42 H new ATOM 0 HE2 PHE A 20 34.853 18.010 -20.836 1.00 33.41 H new ATOM 0 HZ PHE A 20 35.164 18.677 -18.484 1.00 61.10 H new ATOM 204 N LEU A 21 41.179 14.876 -19.136 1.00 62.23 N ATOM 205 CA LEU A 21 41.923 15.036 -17.891 1.00 64.23 C ATOM 206 C LEU A 21 43.101 15.987 -18.079 1.00 1.12 C ATOM 207 O LEU A 21 43.216 16.993 -17.380 1.00 40.21 O ATOM 208 CB LEU A 21 42.423 13.678 -17.395 1.00 32.22 C ATOM 209 CG LEU A 21 41.586 13.012 -16.302 1.00 24.45 C ATOM 210 CD1 LEU A 21 41.870 13.647 -14.951 1.00 53.03 C ATOM 211 CD2 LEU A 21 40.104 13.103 -16.637 1.00 54.32 C ATOM 0 H LEU A 21 41.174 13.925 -19.505 1.00 62.23 H new ATOM 0 HA LEU A 21 41.251 15.463 -17.147 1.00 64.23 H new ATOM 0 HB2 LEU A 21 42.477 13.000 -18.247 1.00 32.22 H new ATOM 0 HB3 LEU A 21 43.439 13.802 -17.021 1.00 32.22 H new ATOM 0 HG LEU A 21 41.862 11.959 -16.249 1.00 24.45 H new ATOM 0 HD11 LEU A 21 41.265 13.160 -14.186 1.00 53.03 H new ATOM 0 HD12 LEU A 21 42.926 13.529 -14.708 1.00 53.03 H new ATOM 0 HD13 LEU A 21 41.623 14.708 -14.988 1.00 53.03 H new ATOM 0 HD21 LEU A 21 39.523 12.624 -15.849 1.00 54.32 H new ATOM 0 HD22 LEU A 21 39.813 14.150 -16.717 1.00 54.32 H new ATOM 0 HD23 LEU A 21 39.914 12.600 -17.585 1.00 54.32 H new ATOM 223 N ALA A 22 43.971 15.662 -19.030 1.00 72.35 N ATOM 224 CA ALA A 22 45.137 16.489 -19.312 1.00 75.00 C ATOM 225 C ALA A 22 44.723 17.856 -19.849 1.00 74.15 C ATOM 226 O ALA A 22 45.487 18.819 -19.776 1.00 61.32 O ATOM 227 CB ALA A 22 46.055 15.787 -20.302 1.00 72.25 C ATOM 0 H ALA A 22 43.890 14.832 -19.618 1.00 72.35 H new ATOM 0 HA ALA A 22 45.678 16.643 -18.378 1.00 75.00 H new ATOM 0 HB1 ALA A 22 46.922 16.416 -20.504 1.00 72.25 H new ATOM 0 HB2 ALA A 22 46.386 14.837 -19.881 1.00 72.25 H new ATOM 0 HB3 ALA A 22 45.516 15.604 -21.231 1.00 72.25 H new ATOM 233 N PHE A 23 43.512 17.932 -20.388 1.00 52.04 N ATOM 234 CA PHE A 23 42.997 19.181 -20.939 1.00 12.21 C ATOM 235 C PHE A 23 42.601 20.144 -19.823 1.00 1.54 C ATOM 236 O PHE A 23 42.990 21.312 -19.829 1.00 21.54 O ATOM 237 CB PHE A 23 41.795 18.907 -21.843 1.00 4.14 C ATOM 238 CG PHE A 23 41.658 19.888 -22.973 1.00 21.33 C ATOM 239 CD1 PHE A 23 42.334 19.689 -24.166 1.00 4.13 C ATOM 240 CD2 PHE A 23 40.854 21.008 -22.841 1.00 72.01 C ATOM 241 CE1 PHE A 23 42.210 20.589 -25.207 1.00 1.25 C ATOM 242 CE2 PHE A 23 40.726 21.912 -23.879 1.00 63.21 C ATOM 243 CZ PHE A 23 41.406 21.703 -25.063 1.00 23.33 C ATOM 0 H PHE A 23 42.868 17.144 -20.456 1.00 52.04 H new ATOM 0 HA PHE A 23 43.788 19.643 -21.530 1.00 12.21 H new ATOM 0 HB2 PHE A 23 41.882 17.901 -22.254 1.00 4.14 H new ATOM 0 HB3 PHE A 23 40.886 18.928 -21.242 1.00 4.14 H new ATOM 0 HD1 PHE A 23 42.965 18.820 -24.284 1.00 4.13 H new ATOM 0 HD2 PHE A 23 40.321 21.177 -21.917 1.00 72.01 H new ATOM 0 HE1 PHE A 23 42.741 20.422 -26.132 1.00 1.25 H new ATOM 0 HE2 PHE A 23 40.095 22.781 -23.764 1.00 63.21 H new ATOM 0 HZ PHE A 23 41.309 22.409 -25.874 1.00 23.33 H new ATOM 253 N VAL A 24 41.822 19.646 -18.868 1.00 24.04 N ATOM 254 CA VAL A 24 41.372 20.461 -17.747 1.00 45.52 C ATOM 255 C VAL A 24 42.534 21.219 -17.116 1.00 21.11 C ATOM 256 O VAL A 24 42.532 22.448 -17.062 1.00 15.00 O ATOM 257 CB VAL A 24 40.688 19.602 -16.668 1.00 70.55 C ATOM 258 CG1 VAL A 24 40.263 20.463 -15.488 1.00 22.32 C ATOM 259 CG2 VAL A 24 39.496 18.859 -17.254 1.00 53.23 C ATOM 0 H VAL A 24 41.490 18.682 -18.849 1.00 24.04 H new ATOM 0 HA VAL A 24 40.650 21.175 -18.145 1.00 45.52 H new ATOM 0 HB VAL A 24 41.405 18.864 -16.308 1.00 70.55 H new ATOM 0 HG11 VAL A 24 39.782 19.838 -14.736 1.00 22.32 H new ATOM 0 HG12 VAL A 24 41.140 20.943 -15.053 1.00 22.32 H new ATOM 0 HG13 VAL A 24 39.563 21.226 -15.828 1.00 22.32 H new ATOM 0 HG21 VAL A 24 39.025 18.257 -16.477 1.00 53.23 H new ATOM 0 HG22 VAL A 24 38.775 19.578 -17.644 1.00 53.23 H new ATOM 0 HG23 VAL A 24 39.833 18.209 -18.062 1.00 53.23 H new ATOM 269 N VAL A 25 43.529 20.476 -16.641 1.00 35.14 N ATOM 270 CA VAL A 25 44.701 21.077 -16.015 1.00 3.22 C ATOM 271 C VAL A 25 45.291 22.175 -16.894 1.00 0.41 C ATOM 272 O VAL A 25 45.740 23.207 -16.397 1.00 0.44 O ATOM 273 CB VAL A 25 45.787 20.024 -15.730 1.00 11.11 C ATOM 274 CG1 VAL A 25 45.350 19.095 -14.607 1.00 0.30 C ATOM 275 CG2 VAL A 25 46.108 19.236 -16.990 1.00 63.40 C ATOM 0 H VAL A 25 43.547 19.457 -16.678 1.00 35.14 H new ATOM 0 HA VAL A 25 44.369 21.510 -15.071 1.00 3.22 H new ATOM 0 HB VAL A 25 46.693 20.539 -15.410 1.00 11.11 H new ATOM 0 HG11 VAL A 25 46.131 18.358 -14.420 1.00 0.30 H new ATOM 0 HG12 VAL A 25 45.175 19.676 -13.701 1.00 0.30 H new ATOM 0 HG13 VAL A 25 44.430 18.585 -14.894 1.00 0.30 H new ATOM 0 HG21 VAL A 25 46.878 18.496 -16.770 1.00 63.40 H new ATOM 0 HG22 VAL A 25 45.209 18.731 -17.342 1.00 63.40 H new ATOM 0 HG23 VAL A 25 46.468 19.916 -17.762 1.00 63.40 H new ATOM 285 N PHE A 26 45.285 21.945 -18.202 1.00 3.01 N ATOM 286 CA PHE A 26 45.820 22.914 -19.151 1.00 25.22 C ATOM 287 C PHE A 26 45.005 24.203 -19.130 1.00 42.30 C ATOM 288 O PHE A 26 45.559 25.301 -19.049 1.00 73.51 O ATOM 289 CB PHE A 26 45.828 22.326 -20.564 1.00 44.42 C ATOM 290 CG PHE A 26 47.175 21.823 -20.997 1.00 41.11 C ATOM 291 CD1 PHE A 26 48.290 22.642 -20.924 1.00 73.45 C ATOM 292 CD2 PHE A 26 47.326 20.533 -21.479 1.00 51.04 C ATOM 293 CE1 PHE A 26 49.531 22.182 -21.322 1.00 75.53 C ATOM 294 CE2 PHE A 26 48.565 20.068 -21.878 1.00 2.12 C ATOM 295 CZ PHE A 26 49.669 20.893 -21.799 1.00 24.03 C ATOM 0 H PHE A 26 44.916 21.096 -18.630 1.00 3.01 H new ATOM 0 HA PHE A 26 46.843 23.147 -18.856 1.00 25.22 H new ATOM 0 HB2 PHE A 26 45.111 21.507 -20.612 1.00 44.42 H new ATOM 0 HB3 PHE A 26 45.490 23.087 -21.267 1.00 44.42 H new ATOM 0 HD1 PHE A 26 48.188 23.651 -20.552 1.00 73.45 H new ATOM 0 HD2 PHE A 26 46.466 19.883 -21.544 1.00 51.04 H new ATOM 0 HE1 PHE A 26 50.393 22.830 -21.260 1.00 75.53 H new ATOM 0 HE2 PHE A 26 48.669 19.060 -22.251 1.00 2.12 H new ATOM 0 HZ PHE A 26 50.638 20.532 -22.109 1.00 24.03 H new ATOM 305 N LEU A 27 43.685 24.064 -19.202 1.00 31.35 N ATOM 306 CA LEU A 27 42.793 25.217 -19.192 1.00 53.40 C ATOM 307 C LEU A 27 42.808 25.905 -17.831 1.00 34.31 C ATOM 308 O LEU A 27 42.657 27.124 -17.738 1.00 74.51 O ATOM 309 CB LEU A 27 41.367 24.787 -19.542 1.00 63.43 C ATOM 310 CG LEU A 27 41.212 23.945 -20.809 1.00 4.33 C ATOM 311 CD1 LEU A 27 39.743 23.691 -21.105 1.00 45.32 C ATOM 312 CD2 LEU A 27 41.884 24.630 -21.989 1.00 35.04 C ATOM 0 H LEU A 27 43.210 23.164 -19.268 1.00 31.35 H new ATOM 0 HA LEU A 27 43.147 25.925 -19.941 1.00 53.40 H new ATOM 0 HB2 LEU A 27 40.963 24.222 -18.702 1.00 63.43 H new ATOM 0 HB3 LEU A 27 40.754 25.682 -19.648 1.00 63.43 H new ATOM 0 HG LEU A 27 41.700 22.984 -20.645 1.00 4.33 H new ATOM 0 HD11 LEU A 27 39.653 23.090 -22.010 1.00 45.32 H new ATOM 0 HD12 LEU A 27 39.290 23.158 -20.269 1.00 45.32 H new ATOM 0 HD13 LEU A 27 39.231 24.642 -21.248 1.00 45.32 H new ATOM 0 HD21 LEU A 27 41.764 24.017 -22.882 1.00 35.04 H new ATOM 0 HD22 LEU A 27 41.425 25.605 -22.154 1.00 35.04 H new ATOM 0 HD23 LEU A 27 42.945 24.760 -21.778 1.00 35.04 H new ATOM 324 N LEU A 28 42.995 25.118 -16.778 1.00 43.23 N ATOM 325 CA LEU A 28 43.033 25.652 -15.420 1.00 24.44 C ATOM 326 C LEU A 28 44.021 26.809 -15.318 1.00 24.22 C ATOM 327 O LEU A 28 43.670 27.900 -14.870 1.00 51.52 O ATOM 328 CB LEU A 28 43.416 24.551 -14.430 1.00 74.25 C ATOM 329 CG LEU A 28 42.302 23.575 -14.046 1.00 55.22 C ATOM 330 CD1 LEU A 28 42.809 22.556 -13.038 1.00 71.24 C ATOM 331 CD2 LEU A 28 41.102 24.329 -13.488 1.00 21.15 C ATOM 0 H LEU A 28 43.123 24.108 -16.837 1.00 43.23 H new ATOM 0 HA LEU A 28 42.039 26.025 -15.174 1.00 24.44 H new ATOM 0 HB2 LEU A 28 44.242 23.980 -14.854 1.00 74.25 H new ATOM 0 HB3 LEU A 28 43.789 25.022 -13.520 1.00 74.25 H new ATOM 0 HG LEU A 28 41.987 23.042 -14.943 1.00 55.22 H new ATOM 0 HD11 LEU A 28 42.003 21.870 -12.777 1.00 71.24 H new ATOM 0 HD12 LEU A 28 43.636 21.995 -13.473 1.00 71.24 H new ATOM 0 HD13 LEU A 28 43.152 23.071 -12.141 1.00 71.24 H new ATOM 0 HD21 LEU A 28 40.319 23.620 -13.220 1.00 21.15 H new ATOM 0 HD22 LEU A 28 41.403 24.888 -12.602 1.00 21.15 H new ATOM 0 HD23 LEU A 28 40.724 25.019 -14.242 1.00 21.15 H new ATOM 343 N VAL A 29 45.257 26.564 -15.739 1.00 74.00 N ATOM 344 CA VAL A 29 46.296 27.587 -15.698 1.00 11.51 C ATOM 345 C VAL A 29 46.225 28.491 -16.923 1.00 11.24 C ATOM 346 O VAL A 29 46.277 29.716 -16.809 1.00 11.01 O ATOM 347 CB VAL A 29 47.700 26.959 -15.618 1.00 24.12 C ATOM 348 CG1 VAL A 29 47.940 26.034 -16.802 1.00 63.13 C ATOM 349 CG2 VAL A 29 48.766 28.043 -15.554 1.00 43.22 C ATOM 0 H VAL A 29 45.564 25.666 -16.113 1.00 74.00 H new ATOM 0 HA VAL A 29 46.120 28.181 -14.801 1.00 11.51 H new ATOM 0 HB VAL A 29 47.762 26.366 -14.706 1.00 24.12 H new ATOM 0 HG11 VAL A 29 48.937 25.600 -16.728 1.00 63.13 H new ATOM 0 HG12 VAL A 29 47.196 25.237 -16.798 1.00 63.13 H new ATOM 0 HG13 VAL A 29 47.859 26.601 -17.729 1.00 63.13 H new ATOM 0 HG21 VAL A 29 49.752 27.581 -15.498 1.00 43.22 H new ATOM 0 HG22 VAL A 29 48.707 28.665 -16.447 1.00 43.22 H new ATOM 0 HG23 VAL A 29 48.604 28.661 -14.671 1.00 43.22 H new ATOM 359 N THR A 30 46.104 27.880 -18.097 1.00 3.21 N ATOM 360 CA THR A 30 46.025 28.629 -19.345 1.00 14.35 C ATOM 361 C THR A 30 44.980 29.734 -19.258 1.00 3.31 C ATOM 362 O THR A 30 45.110 30.779 -19.899 1.00 44.01 O ATOM 363 CB THR A 30 45.686 27.709 -20.533 1.00 54.24 C ATOM 364 OG1 THR A 30 46.782 26.826 -20.797 1.00 15.34 O ATOM 365 CG2 THR A 30 45.374 28.526 -21.778 1.00 22.33 C ATOM 0 H THR A 30 46.059 26.867 -18.210 1.00 3.21 H new ATOM 0 HA THR A 30 47.007 29.074 -19.509 1.00 14.35 H new ATOM 0 HB THR A 30 44.804 27.124 -20.272 1.00 54.24 H new ATOM 0 HG1 THR A 30 46.686 26.014 -20.256 1.00 15.34 H new ATOM 0 HG21 THR A 30 45.138 27.855 -22.604 1.00 22.33 H new ATOM 0 HG22 THR A 30 44.521 29.176 -21.583 1.00 22.33 H new ATOM 0 HG23 THR A 30 46.240 29.134 -22.041 1.00 22.33 H new ATOM 373 N LEU A 31 43.942 29.499 -18.462 1.00 35.32 N ATOM 374 CA LEU A 31 42.873 30.477 -18.290 1.00 45.22 C ATOM 375 C LEU A 31 43.404 31.761 -17.663 1.00 15.34 C ATOM 376 O LEU A 31 43.453 32.807 -18.311 1.00 65.01 O ATOM 377 CB LEU A 31 41.758 29.894 -17.420 1.00 71.24 C ATOM 378 CG LEU A 31 40.593 29.243 -18.168 1.00 14.43 C ATOM 379 CD1 LEU A 31 39.522 28.784 -17.191 1.00 21.20 C ATOM 380 CD2 LEU A 31 40.009 30.210 -19.188 1.00 44.03 C ATOM 0 H LEU A 31 43.818 28.640 -17.926 1.00 35.32 H new ATOM 0 HA LEU A 31 42.471 30.716 -19.275 1.00 45.22 H new ATOM 0 HB2 LEU A 31 42.196 29.151 -16.753 1.00 71.24 H new ATOM 0 HB3 LEU A 31 41.360 30.691 -16.792 1.00 71.24 H new ATOM 0 HG LEU A 31 40.969 28.369 -18.699 1.00 14.43 H new ATOM 0 HD11 LEU A 31 38.701 28.323 -17.741 1.00 21.20 H new ATOM 0 HD12 LEU A 31 39.948 28.057 -16.499 1.00 21.20 H new ATOM 0 HD13 LEU A 31 39.148 29.642 -16.632 1.00 21.20 H new ATOM 0 HD21 LEU A 31 39.181 29.731 -19.711 1.00 44.03 H new ATOM 0 HD22 LEU A 31 39.648 31.103 -18.678 1.00 44.03 H new ATOM 0 HD23 LEU A 31 40.779 30.490 -19.907 1.00 44.03 H new ATOM 392 N ALA A 32 43.803 31.675 -16.398 1.00 33.44 N ATOM 393 CA ALA A 32 44.336 32.829 -15.685 1.00 23.22 C ATOM 394 C ALA A 32 45.223 33.674 -16.592 1.00 35.45 C ATOM 395 O ALA A 32 45.160 34.904 -16.568 1.00 24.21 O ATOM 396 CB ALA A 32 45.112 32.378 -14.456 1.00 74.02 C ATOM 0 H ALA A 32 43.767 30.818 -15.846 1.00 33.44 H new ATOM 0 HA ALA A 32 43.496 33.446 -15.365 1.00 23.22 H new ATOM 0 HB1 ALA A 32 45.504 33.250 -13.933 1.00 74.02 H new ATOM 0 HB2 ALA A 32 44.450 31.824 -13.791 1.00 74.02 H new ATOM 0 HB3 ALA A 32 45.938 31.737 -14.763 1.00 74.02 H new ATOM 402 N ILE A 33 46.051 33.008 -17.390 1.00 62.30 N ATOM 403 CA ILE A 33 46.950 33.698 -18.306 1.00 33.32 C ATOM 404 C ILE A 33 46.221 34.800 -19.067 1.00 3.41 C ATOM 405 O ILE A 33 46.664 35.949 -19.095 1.00 1.41 O ATOM 406 CB ILE A 33 47.583 32.723 -19.316 1.00 1.55 C ATOM 407 CG1 ILE A 33 48.264 31.566 -18.585 1.00 75.13 C ATOM 408 CG2 ILE A 33 48.578 33.454 -20.206 1.00 71.22 C ATOM 409 CD1 ILE A 33 49.197 30.761 -19.461 1.00 14.13 C ATOM 0 H ILE A 33 46.118 31.991 -17.420 1.00 62.30 H new ATOM 0 HA ILE A 33 47.739 34.141 -17.699 1.00 33.32 H new ATOM 0 HB ILE A 33 46.793 32.314 -19.946 1.00 1.55 H new ATOM 0 HG12 ILE A 33 48.825 31.962 -17.739 1.00 75.13 H new ATOM 0 HG13 ILE A 33 47.499 30.904 -18.178 1.00 75.13 H new ATOM 0 HG21 ILE A 33 49.017 32.752 -20.914 1.00 71.22 H new ATOM 0 HG22 ILE A 33 48.065 34.246 -20.751 1.00 71.22 H new ATOM 0 HG23 ILE A 33 49.366 33.889 -19.591 1.00 71.22 H new ATOM 0 HD11 ILE A 33 49.644 29.958 -18.875 1.00 14.13 H new ATOM 0 HD12 ILE A 33 48.637 30.335 -20.293 1.00 14.13 H new ATOM 0 HD13 ILE A 33 49.984 31.409 -19.847 1.00 14.13 H new ATOM 421 N LEU A 34 45.099 34.442 -19.682 1.00 14.30 N ATOM 422 CA LEU A 34 44.305 35.401 -20.444 1.00 54.14 C ATOM 423 C LEU A 34 44.062 36.671 -19.633 1.00 0.23 C ATOM 424 O LEU A 34 43.885 37.754 -20.193 1.00 51.31 O ATOM 425 CB LEU A 34 42.969 34.779 -20.850 1.00 64.34 C ATOM 426 CG LEU A 34 42.362 35.286 -22.158 1.00 63.31 C ATOM 427 CD1 LEU A 34 41.254 34.356 -22.629 1.00 73.25 C ATOM 428 CD2 LEU A 34 41.835 36.703 -21.987 1.00 34.24 C ATOM 0 H LEU A 34 44.718 33.496 -19.668 1.00 14.30 H new ATOM 0 HA LEU A 34 44.863 35.665 -21.342 1.00 54.14 H new ATOM 0 HB2 LEU A 34 43.103 33.700 -20.929 1.00 64.34 H new ATOM 0 HB3 LEU A 34 42.251 34.953 -20.048 1.00 64.34 H new ATOM 0 HG LEU A 34 43.144 35.299 -22.918 1.00 63.31 H new ATOM 0 HD11 LEU A 34 40.834 34.733 -23.561 1.00 73.25 H new ATOM 0 HD12 LEU A 34 41.661 33.358 -22.792 1.00 73.25 H new ATOM 0 HD13 LEU A 34 40.472 34.309 -21.871 1.00 73.25 H new ATOM 0 HD21 LEU A 34 41.406 37.048 -22.928 1.00 34.24 H new ATOM 0 HD22 LEU A 34 41.068 36.715 -21.213 1.00 34.24 H new ATOM 0 HD23 LEU A 34 42.653 37.363 -21.697 1.00 34.24 H new ATOM 440 N THR A 35 44.056 36.533 -18.311 1.00 25.42 N ATOM 441 CA THR A 35 43.837 37.667 -17.424 1.00 5.31 C ATOM 442 C THR A 35 44.915 38.728 -17.610 1.00 42.31 C ATOM 443 O THR A 35 44.623 39.922 -17.657 1.00 1.12 O ATOM 444 CB THR A 35 43.812 37.229 -15.948 1.00 54.43 C ATOM 445 OG1 THR A 35 42.978 36.077 -15.791 1.00 23.34 O ATOM 446 CG2 THR A 35 43.303 38.354 -15.058 1.00 4.51 C ATOM 0 H THR A 35 44.201 35.645 -17.831 1.00 25.42 H new ATOM 0 HA THR A 35 42.867 38.090 -17.686 1.00 5.31 H new ATOM 0 HB THR A 35 44.831 36.982 -15.649 1.00 54.43 H new ATOM 0 HG1 THR A 35 43.454 35.282 -16.111 1.00 23.34 H new ATOM 0 HG21 THR A 35 43.294 38.021 -14.020 1.00 4.51 H new ATOM 0 HG22 THR A 35 43.958 39.220 -15.156 1.00 4.51 H new ATOM 0 HG23 THR A 35 42.292 38.628 -15.360 1.00 4.51 H new ATOM 454 N ALA A 36 46.163 38.284 -17.717 1.00 4.10 N ATOM 455 CA ALA A 36 47.286 39.195 -17.902 1.00 40.52 C ATOM 456 C ALA A 36 46.982 40.229 -18.981 1.00 63.21 C ATOM 457 O ALA A 36 47.449 41.366 -18.916 1.00 75.12 O ATOM 458 CB ALA A 36 48.545 38.418 -18.252 1.00 22.21 C ATOM 0 H ALA A 36 46.422 37.298 -17.679 1.00 4.10 H new ATOM 0 HA ALA A 36 47.450 39.725 -16.964 1.00 40.52 H new ATOM 0 HB1 ALA A 36 49.375 39.112 -18.387 1.00 22.21 H new ATOM 0 HB2 ALA A 36 48.780 37.724 -17.445 1.00 22.21 H new ATOM 0 HB3 ALA A 36 48.384 37.861 -19.175 1.00 22.21 H new ATOM 464 N LEU A 37 46.197 39.827 -19.975 1.00 64.21 N ATOM 465 CA LEU A 37 45.831 40.717 -21.069 1.00 14.55 C ATOM 466 C LEU A 37 44.814 41.757 -20.609 1.00 63.10 C ATOM 467 O LEU A 37 44.943 42.943 -20.912 1.00 53.21 O ATOM 468 CB LEU A 37 45.261 39.914 -22.239 1.00 31.24 C ATOM 469 CG LEU A 37 46.273 39.443 -23.285 1.00 23.12 C ATOM 470 CD1 LEU A 37 46.879 40.631 -24.015 1.00 12.44 C ATOM 471 CD2 LEU A 37 47.361 38.602 -22.634 1.00 12.02 C ATOM 0 H LEU A 37 45.802 38.889 -20.045 1.00 64.21 H new ATOM 0 HA LEU A 37 46.732 41.236 -21.397 1.00 14.55 H new ATOM 0 HB2 LEU A 37 44.749 39.039 -21.838 1.00 31.24 H new ATOM 0 HB3 LEU A 37 44.508 40.523 -22.739 1.00 31.24 H new ATOM 0 HG LEU A 37 45.751 38.823 -24.014 1.00 23.12 H new ATOM 0 HD11 LEU A 37 47.596 40.276 -24.755 1.00 12.44 H new ATOM 0 HD12 LEU A 37 46.090 41.192 -24.515 1.00 12.44 H new ATOM 0 HD13 LEU A 37 47.386 41.278 -23.299 1.00 12.44 H new ATOM 0 HD21 LEU A 37 48.072 38.276 -23.393 1.00 12.02 H new ATOM 0 HD22 LEU A 37 47.880 39.197 -21.883 1.00 12.02 H new ATOM 0 HD23 LEU A 37 46.912 37.730 -22.159 1.00 12.02 H new ATOM 483 N ARG A 38 43.803 41.303 -19.876 1.00 52.33 N ATOM 484 CA ARG A 38 42.764 42.194 -19.373 1.00 61.24 C ATOM 485 C ARG A 38 43.377 43.396 -18.659 1.00 41.11 C ATOM 486 O ARG A 38 43.120 44.544 -19.023 1.00 4.41 O ATOM 487 CB ARG A 38 41.835 41.440 -18.418 1.00 14.03 C ATOM 488 CG ARG A 38 40.362 41.739 -18.642 1.00 45.32 C ATOM 489 CD ARG A 38 39.499 40.512 -18.385 1.00 55.02 C ATOM 490 NE ARG A 38 38.500 40.316 -19.431 1.00 2.22 N ATOM 491 CZ ARG A 38 37.385 39.616 -19.260 1.00 43.54 C ATOM 492 NH1 ARG A 38 37.126 39.049 -18.089 1.00 21.34 N ATOM 493 NH2 ARG A 38 36.523 39.483 -20.260 1.00 45.34 N ATOM 0 H ARG A 38 43.681 40.324 -19.617 1.00 52.33 H new ATOM 0 HA ARG A 38 42.186 42.554 -20.224 1.00 61.24 H new ATOM 0 HB2 ARG A 38 42.001 40.369 -18.532 1.00 14.03 H new ATOM 0 HB3 ARG A 38 42.097 41.696 -17.391 1.00 14.03 H new ATOM 0 HG2 ARG A 38 40.050 42.549 -17.983 1.00 45.32 H new ATOM 0 HG3 ARG A 38 40.211 42.084 -19.665 1.00 45.32 H new ATOM 0 HD2 ARG A 38 40.135 39.629 -18.321 1.00 55.02 H new ATOM 0 HD3 ARG A 38 39.000 40.616 -17.422 1.00 55.02 H new ATOM 0 HE ARG A 38 38.668 40.740 -20.343 1.00 2.22 H new ATOM 0 HH11 ARG A 38 37.784 39.150 -17.317 1.00 21.34 H new ATOM 0 HH12 ARG A 38 36.268 38.512 -17.961 1.00 21.34 H new ATOM 0 HH21 ARG A 38 36.717 39.919 -21.162 1.00 45.34 H new ATOM 0 HH22 ARG A 38 35.667 38.945 -20.127 1.00 45.34 H new ATOM 507 N LEU A 39 44.188 43.124 -17.643 1.00 45.31 N ATOM 508 CA LEU A 39 44.836 44.183 -16.878 1.00 32.33 C ATOM 509 C LEU A 39 45.533 45.175 -17.804 1.00 52.24 C ATOM 510 O LEU A 39 45.605 46.368 -17.509 1.00 14.12 O ATOM 511 CB LEU A 39 45.849 43.584 -15.899 1.00 0.24 C ATOM 512 CG LEU A 39 45.437 42.277 -15.222 1.00 1.25 C ATOM 513 CD1 LEU A 39 46.426 41.907 -14.128 1.00 51.55 C ATOM 514 CD2 LEU A 39 44.029 42.390 -14.657 1.00 70.12 C ATOM 0 H LEU A 39 44.412 42.180 -17.330 1.00 45.31 H new ATOM 0 HA LEU A 39 44.068 44.715 -16.317 1.00 32.33 H new ATOM 0 HB2 LEU A 39 46.784 43.414 -16.433 1.00 0.24 H new ATOM 0 HB3 LEU A 39 46.055 44.322 -15.124 1.00 0.24 H new ATOM 0 HG LEU A 39 45.443 41.485 -15.970 1.00 1.25 H new ATOM 0 HD11 LEU A 39 46.116 40.974 -13.658 1.00 51.55 H new ATOM 0 HD12 LEU A 39 47.418 41.783 -14.561 1.00 51.55 H new ATOM 0 HD13 LEU A 39 46.454 42.699 -13.380 1.00 51.55 H new ATOM 0 HD21 LEU A 39 43.752 41.450 -14.179 1.00 70.12 H new ATOM 0 HD22 LEU A 39 43.995 43.195 -13.923 1.00 70.12 H new ATOM 0 HD23 LEU A 39 43.329 42.606 -15.464 1.00 70.12 H new ATOM 526 N ALA A 40 46.041 44.675 -18.925 1.00 23.13 N ATOM 527 CA ALA A 40 46.726 45.518 -19.897 1.00 71.42 C ATOM 528 C ALA A 40 45.800 46.606 -20.428 1.00 14.15 C ATOM 529 O ALA A 40 46.251 47.691 -20.797 1.00 44.31 O ATOM 530 CB ALA A 40 47.264 44.673 -21.042 1.00 71.11 C ATOM 0 H ALA A 40 45.991 43.689 -19.183 1.00 23.13 H new ATOM 0 HA ALA A 40 47.563 46.004 -19.395 1.00 71.42 H new ATOM 0 HB1 ALA A 40 47.773 45.316 -21.760 1.00 71.11 H new ATOM 0 HB2 ALA A 40 47.967 43.937 -20.652 1.00 71.11 H new ATOM 0 HB3 ALA A 40 46.438 44.160 -21.535 1.00 71.11 H new ATOM 536 N ALA A 41 44.507 46.309 -20.467 1.00 43.44 N ATOM 537 CA ALA A 41 43.517 47.264 -20.952 1.00 3.00 C ATOM 538 C ALA A 41 43.455 48.495 -20.055 1.00 71.13 C ATOM 539 O ALA A 41 43.430 49.627 -20.538 1.00 64.22 O ATOM 540 CB ALA A 41 42.148 46.605 -21.044 1.00 33.53 C ATOM 0 H ALA A 41 44.119 45.414 -20.169 1.00 43.44 H new ATOM 0 HA ALA A 41 43.819 47.588 -21.948 1.00 3.00 H new ATOM 0 HB1 ALA A 41 41.419 47.329 -21.407 1.00 33.53 H new ATOM 0 HB2 ALA A 41 42.196 45.762 -21.733 1.00 33.53 H new ATOM 0 HB3 ALA A 41 41.847 46.251 -20.058 1.00 33.53 H new ATOM 546 N TYR A 42 43.429 48.267 -18.746 1.00 25.53 N ATOM 547 CA TYR A 42 43.366 49.357 -17.781 1.00 71.13 C ATOM 548 C TYR A 42 44.592 50.258 -17.896 1.00 64.43 C ATOM 549 O TYR A 42 44.560 51.422 -17.499 1.00 12.20 O ATOM 550 CB TYR A 42 43.258 48.802 -16.359 1.00 20.33 C ATOM 551 CG TYR A 42 41.856 48.389 -15.975 1.00 50.12 C ATOM 552 CD1 TYR A 42 41.148 47.469 -16.737 1.00 24.12 C ATOM 553 CD2 TYR A 42 41.239 48.919 -14.849 1.00 54.13 C ATOM 554 CE1 TYR A 42 39.866 47.089 -16.389 1.00 5.54 C ATOM 555 CE2 TYR A 42 39.957 48.545 -14.493 1.00 62.10 C ATOM 556 CZ TYR A 42 39.275 47.630 -15.267 1.00 65.02 C ATOM 557 OH TYR A 42 37.998 47.253 -14.917 1.00 72.13 O ATOM 0 H TYR A 42 43.451 47.336 -18.330 1.00 25.53 H new ATOM 0 HA TYR A 42 42.479 49.951 -18.000 1.00 71.13 H new ATOM 0 HB2 TYR A 42 43.920 47.942 -16.263 1.00 20.33 H new ATOM 0 HB3 TYR A 42 43.611 49.556 -15.656 1.00 20.33 H new ATOM 0 HD1 TYR A 42 41.607 47.043 -17.617 1.00 24.12 H new ATOM 0 HD2 TYR A 42 41.770 49.636 -14.241 1.00 54.13 H new ATOM 0 HE1 TYR A 42 39.330 46.372 -16.993 1.00 5.54 H new ATOM 0 HE2 TYR A 42 39.492 48.967 -13.614 1.00 62.10 H new ATOM 0 HH TYR A 42 37.729 47.725 -14.101 1.00 72.13 H new ATOM 567 N ALA A 43 45.672 49.709 -18.443 1.00 74.11 N ATOM 568 CA ALA A 43 46.908 50.462 -18.614 1.00 42.12 C ATOM 569 C ALA A 43 46.677 51.713 -19.456 1.00 62.44 C ATOM 570 O ALA A 43 47.491 52.636 -19.449 1.00 20.12 O ATOM 571 CB ALA A 43 47.976 49.586 -19.249 1.00 31.31 C ATOM 0 H ALA A 43 45.716 48.746 -18.775 1.00 74.11 H new ATOM 0 HA ALA A 43 47.251 50.777 -17.629 1.00 42.12 H new ATOM 0 HB1 ALA A 43 48.894 50.162 -19.371 1.00 31.31 H new ATOM 0 HB2 ALA A 43 48.169 48.726 -18.608 1.00 31.31 H new ATOM 0 HB3 ALA A 43 47.632 49.242 -20.224 1.00 31.31 H new ATOM 577 N ALA A 44 45.563 51.735 -20.180 1.00 10.23 N ATOM 578 CA ALA A 44 45.225 52.873 -21.027 1.00 73.25 C ATOM 579 C ALA A 44 44.691 54.035 -20.196 1.00 32.11 C ATOM 580 O ALA A 44 44.548 55.151 -20.693 1.00 51.22 O ATOM 581 CB ALA A 44 44.208 52.463 -22.080 1.00 43.22 C ATOM 0 H ALA A 44 44.879 50.978 -20.197 1.00 10.23 H new ATOM 0 HA ALA A 44 46.134 53.206 -21.527 1.00 73.25 H new ATOM 0 HB1 ALA A 44 43.965 53.322 -22.705 1.00 43.22 H new ATOM 0 HB2 ALA A 44 44.626 51.670 -22.700 1.00 43.22 H new ATOM 0 HB3 ALA A 44 43.303 52.103 -21.591 1.00 43.22 H new ATOM 587 N ASN A 45 44.396 53.765 -18.928 1.00 33.42 N ATOM 588 CA ASN A 45 43.876 54.788 -18.029 1.00 1.15 C ATOM 589 C ASN A 45 44.951 55.250 -17.050 1.00 1.34 C ATOM 590 O ASN A 45 45.443 56.376 -17.138 1.00 42.12 O ATOM 591 CB ASN A 45 42.666 54.254 -17.260 1.00 24.43 C ATOM 592 CG ASN A 45 41.963 55.336 -16.463 1.00 23.13 C ATOM 593 OD1 ASN A 45 41.776 55.208 -15.253 1.00 10.22 O ATOM 594 ND2 ASN A 45 41.569 56.408 -17.141 1.00 21.43 N ATOM 0 H ASN A 45 44.508 52.846 -18.500 1.00 33.42 H new ATOM 0 HA ASN A 45 43.567 55.642 -18.632 1.00 1.15 H new ATOM 0 HB2 ASN A 45 41.961 53.808 -17.962 1.00 24.43 H new ATOM 0 HB3 ASN A 45 42.989 53.461 -16.585 1.00 24.43 H new ATOM 0 HD21 ASN A 45 41.090 57.169 -16.659 1.00 21.43 H new ATOM 0 HD22 ASN A 45 41.746 56.471 -18.144 1.00 21.43 H new ATOM 601 N ILE A 46 45.312 54.373 -16.119 1.00 5.32 N ATOM 602 CA ILE A 46 46.330 54.690 -15.125 1.00 1.42 C ATOM 603 C ILE A 46 47.469 53.677 -15.163 1.00 54.04 C ATOM 604 O ILE A 46 48.587 53.998 -15.564 1.00 11.44 O ATOM 605 CB ILE A 46 45.737 54.729 -13.704 1.00 22.22 C ATOM 606 CG1 ILE A 46 44.429 53.936 -13.653 1.00 74.45 C ATOM 607 CG2 ILE A 46 45.508 56.167 -13.264 1.00 71.20 C ATOM 608 CD1 ILE A 46 44.025 53.526 -12.254 1.00 75.42 C ATOM 0 H ILE A 46 44.915 53.438 -16.032 1.00 5.32 H new ATOM 0 HA ILE A 46 46.718 55.678 -15.374 1.00 1.42 H new ATOM 0 HB ILE A 46 46.447 54.269 -13.017 1.00 22.22 H new ATOM 0 HG12 ILE A 46 43.632 54.537 -14.091 1.00 74.45 H new ATOM 0 HG13 ILE A 46 44.531 53.043 -14.270 1.00 74.45 H new ATOM 0 HG21 ILE A 46 45.089 56.177 -12.258 1.00 71.20 H new ATOM 0 HG22 ILE A 46 46.457 56.704 -13.267 1.00 71.20 H new ATOM 0 HG23 ILE A 46 44.814 56.652 -13.951 1.00 71.20 H new ATOM 0 HD11 ILE A 46 43.090 52.968 -12.294 1.00 75.42 H new ATOM 0 HD12 ILE A 46 44.803 52.899 -11.820 1.00 75.42 H new ATOM 0 HD13 ILE A 46 43.891 54.416 -11.639 1.00 75.42 H new ATOM 620 N VAL A 47 47.176 52.451 -14.741 1.00 72.21 N ATOM 621 CA VAL A 47 48.175 51.389 -14.728 1.00 24.33 C ATOM 622 C VAL A 47 47.633 50.117 -15.372 1.00 51.13 C ATOM 623 O VAL A 47 46.447 50.025 -15.684 1.00 4.41 O ATOM 624 CB VAL A 47 48.636 51.070 -13.294 1.00 24.41 C ATOM 625 CG1 VAL A 47 49.880 51.870 -12.942 1.00 12.02 C ATOM 626 CG2 VAL A 47 47.517 51.343 -12.301 1.00 3.51 C ATOM 0 H VAL A 47 46.256 52.169 -14.404 1.00 72.21 H new ATOM 0 HA VAL A 47 49.028 51.749 -15.304 1.00 24.33 H new ATOM 0 HB VAL A 47 48.888 50.011 -13.240 1.00 24.41 H new ATOM 0 HG11 VAL A 47 50.191 51.631 -11.925 1.00 12.02 H new ATOM 0 HG12 VAL A 47 50.683 51.618 -13.635 1.00 12.02 H new ATOM 0 HG13 VAL A 47 49.660 52.935 -13.013 1.00 12.02 H new ATOM 0 HG21 VAL A 47 47.861 51.112 -11.293 1.00 3.51 H new ATOM 0 HG22 VAL A 47 47.231 52.393 -12.355 1.00 3.51 H new ATOM 0 HG23 VAL A 47 46.656 50.720 -12.543 1.00 3.51 H new ATOM 636 N ASN A 48 48.511 49.138 -15.567 1.00 42.32 N ATOM 637 CA ASN A 48 48.120 47.871 -16.173 1.00 42.01 C ATOM 638 C ASN A 48 47.572 46.911 -15.122 1.00 54.14 C ATOM 639 O ASN A 48 47.841 45.710 -15.160 1.00 32.23 O ATOM 640 CB ASN A 48 49.313 47.234 -16.888 1.00 54.11 C ATOM 641 CG ASN A 48 50.561 47.215 -16.026 1.00 71.24 C ATOM 642 OD1 ASN A 48 51.198 48.247 -15.813 1.00 31.33 O ATOM 643 ND2 ASN A 48 50.915 46.038 -15.524 1.00 21.11 N ATOM 0 H ASN A 48 49.497 49.198 -15.314 1.00 42.32 H new ATOM 0 HA ASN A 48 47.334 48.073 -16.901 1.00 42.01 H new ATOM 0 HB2 ASN A 48 49.058 46.214 -17.176 1.00 54.11 H new ATOM 0 HB3 ASN A 48 49.518 47.783 -17.807 1.00 54.11 H new ATOM 0 HD21 ASN A 48 51.745 45.963 -14.936 1.00 21.11 H new ATOM 0 HD22 ASN A 48 50.357 45.208 -15.727 1.00 21.11 H new ATOM 650 N VAL A 49 46.799 47.448 -14.183 1.00 54.04 N ATOM 651 CA VAL A 49 46.211 46.640 -13.121 1.00 53.12 C ATOM 652 C VAL A 49 44.688 46.668 -13.189 1.00 34.44 C ATOM 653 O VAL A 49 44.087 47.710 -13.450 1.00 21.12 O ATOM 654 CB VAL A 49 46.661 47.126 -11.731 1.00 75.03 C ATOM 655 CG1 VAL A 49 46.229 48.567 -11.502 1.00 0.34 C ATOM 656 CG2 VAL A 49 46.108 46.217 -10.644 1.00 63.23 C ATOM 0 H VAL A 49 46.565 48.440 -14.136 1.00 54.04 H new ATOM 0 HA VAL A 49 46.560 45.618 -13.270 1.00 53.12 H new ATOM 0 HB VAL A 49 47.749 47.087 -11.687 1.00 75.03 H new ATOM 0 HG11 VAL A 49 46.556 48.892 -10.514 1.00 0.34 H new ATOM 0 HG12 VAL A 49 46.678 49.207 -12.262 1.00 0.34 H new ATOM 0 HG13 VAL A 49 45.143 48.636 -11.565 1.00 0.34 H new ATOM 0 HG21 VAL A 49 46.436 46.575 -9.668 1.00 63.23 H new ATOM 0 HG22 VAL A 49 45.019 46.222 -10.685 1.00 63.23 H new ATOM 0 HG23 VAL A 49 46.472 45.201 -10.799 1.00 63.23 H new ATOM 666 N SER A 50 44.071 45.515 -12.951 1.00 43.34 N ATOM 667 CA SER A 50 42.617 45.406 -12.989 1.00 52.21 C ATOM 668 C SER A 50 42.156 44.078 -12.397 1.00 21.42 C ATOM 669 O SER A 50 42.973 43.239 -12.014 1.00 35.30 O ATOM 670 CB SER A 50 42.111 45.539 -14.426 1.00 11.52 C ATOM 671 OG SER A 50 41.876 44.268 -15.004 1.00 1.32 O ATOM 0 H SER A 50 44.554 44.644 -12.730 1.00 43.34 H new ATOM 0 HA SER A 50 42.202 46.216 -12.389 1.00 52.21 H new ATOM 0 HB2 SER A 50 41.191 46.123 -14.438 1.00 11.52 H new ATOM 0 HB3 SER A 50 42.842 46.084 -15.023 1.00 11.52 H new ATOM 0 HG SER A 50 41.502 44.381 -15.903 1.00 1.32 H new ATOM 677 N LEU A 51 40.843 43.892 -12.325 1.00 22.23 N ATOM 678 CA LEU A 51 40.271 42.665 -11.781 1.00 73.22 C ATOM 679 C LEU A 51 38.959 42.320 -12.477 1.00 1.04 C ATOM 680 O LEU A 51 38.574 42.964 -13.453 1.00 42.20 O ATOM 681 CB LEU A 51 40.041 42.811 -10.276 1.00 52.41 C ATOM 682 CG LEU A 51 41.285 43.084 -9.429 1.00 25.35 C ATOM 683 CD1 LEU A 51 41.553 44.578 -9.339 1.00 23.00 C ATOM 684 CD2 LEU A 51 41.127 42.482 -8.040 1.00 10.14 C ATOM 0 H LEU A 51 40.153 44.576 -12.637 1.00 22.23 H new ATOM 0 HA LEU A 51 40.978 41.854 -11.958 1.00 73.22 H new ATOM 0 HB2 LEU A 51 39.331 43.622 -10.114 1.00 52.41 H new ATOM 0 HB3 LEU A 51 39.571 41.898 -9.911 1.00 52.41 H new ATOM 0 HG LEU A 51 42.141 42.612 -9.912 1.00 25.35 H new ATOM 0 HD11 LEU A 51 42.442 44.752 -8.733 1.00 23.00 H new ATOM 0 HD12 LEU A 51 41.712 44.980 -10.340 1.00 23.00 H new ATOM 0 HD13 LEU A 51 40.698 45.074 -8.880 1.00 23.00 H new ATOM 0 HD21 LEU A 51 42.021 42.686 -7.451 1.00 10.14 H new ATOM 0 HD22 LEU A 51 40.260 42.924 -7.548 1.00 10.14 H new ATOM 0 HD23 LEU A 51 40.986 41.404 -8.124 1.00 10.14 H new ATOM 696 N VAL A 52 38.275 41.301 -11.967 1.00 23.34 N ATOM 697 CA VAL A 52 37.003 40.872 -12.537 1.00 71.22 C ATOM 698 C VAL A 52 35.854 41.126 -11.569 1.00 45.34 C ATOM 699 O VAL A 52 34.685 40.966 -11.920 1.00 42.21 O ATOM 700 CB VAL A 52 37.029 39.376 -12.905 1.00 21.14 C ATOM 701 CG1 VAL A 52 37.034 38.517 -11.650 1.00 51.32 C ATOM 702 CG2 VAL A 52 35.847 39.027 -13.796 1.00 60.32 C ATOM 0 H VAL A 52 38.580 40.757 -11.160 1.00 23.34 H new ATOM 0 HA VAL A 52 36.848 41.459 -13.442 1.00 71.22 H new ATOM 0 HB VAL A 52 37.945 39.171 -13.459 1.00 21.14 H new ATOM 0 HG11 VAL A 52 37.052 37.464 -11.930 1.00 51.32 H new ATOM 0 HG12 VAL A 52 37.916 38.749 -11.054 1.00 51.32 H new ATOM 0 HG13 VAL A 52 36.137 38.721 -11.066 1.00 51.32 H new ATOM 0 HG21 VAL A 52 35.881 37.967 -14.046 1.00 60.32 H new ATOM 0 HG22 VAL A 52 34.918 39.246 -13.270 1.00 60.32 H new ATOM 0 HG23 VAL A 52 35.894 39.618 -14.711 1.00 60.32 H new ATOM 712 N LYS A 53 36.193 41.523 -10.348 1.00 72.02 N ATOM 713 CA LYS A 53 35.189 41.802 -9.327 1.00 12.11 C ATOM 714 C LYS A 53 34.227 42.889 -9.793 1.00 51.51 C ATOM 715 O LYS A 53 33.007 42.734 -9.746 1.00 42.03 O ATOM 716 CB LYS A 53 35.865 42.230 -8.022 1.00 21.34 C ATOM 717 CG LYS A 53 34.951 43.006 -7.090 1.00 13.22 C ATOM 718 CD LYS A 53 33.765 42.167 -6.644 1.00 70.12 C ATOM 719 CE LYS A 53 32.524 43.021 -6.436 1.00 73.42 C ATOM 720 NZ LYS A 53 31.602 42.423 -5.431 1.00 24.21 N ATOM 0 H LYS A 53 37.156 41.659 -10.040 1.00 72.02 H new ATOM 0 HA LYS A 53 34.620 40.889 -9.153 1.00 12.11 H new ATOM 0 HB2 LYS A 53 36.230 41.343 -7.504 1.00 21.34 H new ATOM 0 HB3 LYS A 53 36.735 42.843 -8.257 1.00 21.34 H new ATOM 0 HG2 LYS A 53 35.515 43.334 -6.217 1.00 13.22 H new ATOM 0 HG3 LYS A 53 34.593 43.904 -7.594 1.00 13.22 H new ATOM 0 HD2 LYS A 53 33.559 41.400 -7.391 1.00 70.12 H new ATOM 0 HD3 LYS A 53 34.012 41.650 -5.717 1.00 70.12 H new ATOM 0 HE2 LYS A 53 32.820 44.018 -6.110 1.00 73.42 H new ATOM 0 HE3 LYS A 53 32.000 43.138 -7.385 1.00 73.42 H new ATOM 0 HZ1 LYS A 53 30.768 43.034 -5.317 1.00 24.21 H new ATOM 0 HZ2 LYS A 53 31.300 41.482 -5.754 1.00 24.21 H new ATOM 0 HZ3 LYS A 53 32.093 42.334 -4.519 1.00 24.21 H new ATOM 734 N PRO A 54 34.786 44.017 -10.256 1.00 14.33 N ATOM 735 CA PRO A 54 33.995 45.152 -10.742 1.00 21.22 C ATOM 736 C PRO A 54 33.289 44.845 -12.059 1.00 52.40 C ATOM 737 O PRO A 54 32.445 45.616 -12.518 1.00 74.45 O ATOM 738 CB PRO A 54 35.038 46.254 -10.939 1.00 34.14 C ATOM 739 CG PRO A 54 36.319 45.528 -11.166 1.00 70.14 C ATOM 740 CD PRO A 54 36.234 44.271 -10.341 1.00 15.53 C ATOM 0 HA PRO A 54 33.198 45.420 -10.048 1.00 21.22 H new ATOM 0 HB2 PRO A 54 34.787 46.889 -11.789 1.00 34.14 H new ATOM 0 HB3 PRO A 54 35.100 46.901 -10.064 1.00 34.14 H new ATOM 0 HG2 PRO A 54 36.453 45.294 -12.222 1.00 70.14 H new ATOM 0 HG3 PRO A 54 37.171 46.136 -10.864 1.00 70.14 H new ATOM 0 HD2 PRO A 54 36.760 43.443 -10.815 1.00 15.53 H new ATOM 0 HD3 PRO A 54 36.677 44.407 -9.354 1.00 15.53 H new ATOM 748 N THR A 55 33.640 43.714 -12.663 1.00 41.14 N ATOM 749 CA THR A 55 33.041 43.306 -13.928 1.00 74.15 C ATOM 750 C THR A 55 31.796 42.456 -13.697 1.00 73.11 C ATOM 751 O THR A 55 31.128 42.046 -14.646 1.00 23.31 O ATOM 752 CB THR A 55 34.039 42.511 -14.791 1.00 2.33 C ATOM 753 OG1 THR A 55 34.088 41.148 -14.355 1.00 54.13 O ATOM 754 CG2 THR A 55 35.428 43.125 -14.714 1.00 33.32 C ATOM 0 H THR A 55 34.336 43.064 -12.297 1.00 41.14 H new ATOM 0 HA THR A 55 32.762 44.218 -14.456 1.00 74.15 H new ATOM 0 HB THR A 55 33.700 42.547 -15.826 1.00 2.33 H new ATOM 0 HG1 THR A 55 34.004 41.113 -13.379 1.00 54.13 H new ATOM 0 HG21 THR A 55 36.116 42.547 -15.331 1.00 33.32 H new ATOM 0 HG22 THR A 55 35.392 44.153 -15.076 1.00 33.32 H new ATOM 0 HG23 THR A 55 35.773 43.116 -13.680 1.00 33.32 H new ATOM 762 N VAL A 56 31.490 42.195 -12.430 1.00 2.00 N ATOM 763 CA VAL A 56 30.324 41.395 -12.076 1.00 70.03 C ATOM 764 C VAL A 56 29.044 42.015 -12.625 1.00 65.42 C ATOM 765 O VAL A 56 28.110 41.306 -13.001 1.00 2.55 O ATOM 766 CB VAL A 56 30.193 41.241 -10.548 1.00 45.40 C ATOM 767 CG1 VAL A 56 31.344 40.416 -9.994 1.00 3.32 C ATOM 768 CG2 VAL A 56 30.132 42.605 -9.879 1.00 12.15 C ATOM 0 H VAL A 56 32.033 42.526 -11.632 1.00 2.00 H new ATOM 0 HA VAL A 56 30.467 40.411 -12.523 1.00 70.03 H new ATOM 0 HB VAL A 56 29.264 40.714 -10.331 1.00 45.40 H new ATOM 0 HG11 VAL A 56 31.235 40.318 -8.914 1.00 3.32 H new ATOM 0 HG12 VAL A 56 31.335 39.426 -10.451 1.00 3.32 H new ATOM 0 HG13 VAL A 56 32.288 40.911 -10.219 1.00 3.32 H new ATOM 0 HG21 VAL A 56 30.040 42.477 -8.800 1.00 12.15 H new ATOM 0 HG22 VAL A 56 31.043 43.161 -10.102 1.00 12.15 H new ATOM 0 HG23 VAL A 56 29.270 43.156 -10.254 1.00 12.15 H new ATOM 778 N TYR A 57 29.008 43.342 -12.668 1.00 2.51 N ATOM 779 CA TYR A 57 27.841 44.058 -13.170 1.00 14.31 C ATOM 780 C TYR A 57 27.411 43.515 -14.529 1.00 13.33 C ATOM 781 O TYR A 57 26.225 43.504 -14.859 1.00 11.35 O ATOM 782 CB TYR A 57 28.143 45.554 -13.277 1.00 2.21 C ATOM 783 CG TYR A 57 28.970 45.919 -14.489 1.00 12.11 C ATOM 784 CD1 TYR A 57 30.278 45.470 -14.623 1.00 42.00 C ATOM 785 CD2 TYR A 57 28.444 46.715 -15.500 1.00 70.34 C ATOM 786 CE1 TYR A 57 31.038 45.801 -15.728 1.00 4.22 C ATOM 787 CE2 TYR A 57 29.196 47.049 -16.610 1.00 53.24 C ATOM 788 CZ TYR A 57 30.492 46.590 -16.718 1.00 15.35 C ATOM 789 OH TYR A 57 31.245 46.924 -17.821 1.00 31.13 O ATOM 0 H TYR A 57 29.773 43.943 -12.362 1.00 2.51 H new ATOM 0 HA TYR A 57 27.023 43.908 -12.465 1.00 14.31 H new ATOM 0 HB2 TYR A 57 27.203 46.105 -13.310 1.00 2.21 H new ATOM 0 HB3 TYR A 57 28.669 45.875 -12.378 1.00 2.21 H new ATOM 0 HD1 TYR A 57 30.708 44.851 -13.849 1.00 42.00 H new ATOM 0 HD2 TYR A 57 27.430 47.078 -15.416 1.00 70.34 H new ATOM 0 HE1 TYR A 57 32.053 45.444 -15.816 1.00 4.22 H new ATOM 0 HE2 TYR A 57 28.771 47.666 -17.388 1.00 53.24 H new ATOM 0 HH TYR A 57 30.712 47.483 -18.424 1.00 31.13 H new ATOM 799 N VAL A 58 28.384 43.065 -15.313 1.00 22.45 N ATOM 800 CA VAL A 58 28.109 42.519 -16.637 1.00 70.44 C ATOM 801 C VAL A 58 27.576 41.094 -16.542 1.00 23.33 C ATOM 802 O VAL A 58 26.772 40.664 -17.371 1.00 34.23 O ATOM 803 CB VAL A 58 29.370 42.526 -17.521 1.00 22.41 C ATOM 804 CG1 VAL A 58 29.246 41.500 -18.637 1.00 4.53 C ATOM 805 CG2 VAL A 58 29.615 43.916 -18.088 1.00 40.34 C ATOM 0 H VAL A 58 29.371 43.067 -15.055 1.00 22.45 H new ATOM 0 HA VAL A 58 27.353 43.158 -17.093 1.00 70.44 H new ATOM 0 HB VAL A 58 30.226 42.254 -16.904 1.00 22.41 H new ATOM 0 HG11 VAL A 58 30.146 41.520 -19.251 1.00 4.53 H new ATOM 0 HG12 VAL A 58 29.122 40.507 -18.206 1.00 4.53 H new ATOM 0 HG13 VAL A 58 28.380 41.738 -19.255 1.00 4.53 H new ATOM 0 HG21 VAL A 58 30.510 43.903 -18.710 1.00 40.34 H new ATOM 0 HG22 VAL A 58 28.759 44.219 -18.690 1.00 40.34 H new ATOM 0 HG23 VAL A 58 29.752 44.624 -17.270 1.00 40.34 H new ATOM 815 N TYR A 59 28.028 40.364 -15.528 1.00 42.50 N ATOM 816 CA TYR A 59 27.598 38.986 -15.327 1.00 51.04 C ATOM 817 C TYR A 59 26.081 38.866 -15.435 1.00 14.41 C ATOM 818 O TYR A 59 25.564 37.973 -16.105 1.00 44.41 O ATOM 819 CB TYR A 59 28.064 38.480 -13.960 1.00 25.31 C ATOM 820 CG TYR A 59 27.841 36.998 -13.756 1.00 63.15 C ATOM 821 CD1 TYR A 59 28.358 36.069 -14.649 1.00 22.55 C ATOM 822 CD2 TYR A 59 27.113 36.528 -12.670 1.00 72.53 C ATOM 823 CE1 TYR A 59 28.157 34.713 -14.468 1.00 41.21 C ATOM 824 CE2 TYR A 59 26.908 35.175 -12.479 1.00 0.11 C ATOM 825 CZ TYR A 59 27.432 34.272 -13.380 1.00 24.44 C ATOM 826 OH TYR A 59 27.229 32.924 -13.195 1.00 63.03 O ATOM 0 H TYR A 59 28.692 40.704 -14.833 1.00 42.50 H new ATOM 0 HA TYR A 59 28.049 38.374 -16.108 1.00 51.04 H new ATOM 0 HB2 TYR A 59 29.125 38.699 -13.843 1.00 25.31 H new ATOM 0 HB3 TYR A 59 27.537 39.029 -13.180 1.00 25.31 H new ATOM 0 HD1 TYR A 59 28.927 36.412 -15.500 1.00 22.55 H new ATOM 0 HD2 TYR A 59 26.700 37.232 -11.963 1.00 72.53 H new ATOM 0 HE1 TYR A 59 28.565 34.004 -15.173 1.00 41.21 H new ATOM 0 HE2 TYR A 59 26.341 34.827 -11.629 1.00 0.11 H new ATOM 0 HH TYR A 59 26.700 32.781 -12.382 1.00 63.03 H new ATOM 836 N SER A 60 25.373 39.776 -14.772 1.00 64.44 N ATOM 837 CA SER A 60 23.915 39.772 -14.791 1.00 32.10 C ATOM 838 C SER A 60 23.388 40.281 -16.128 1.00 0.44 C ATOM 839 O SER A 60 22.414 39.753 -16.666 1.00 70.20 O ATOM 840 CB SER A 60 23.367 40.635 -13.652 1.00 33.22 C ATOM 841 OG SER A 60 21.951 40.655 -13.664 1.00 64.30 O ATOM 0 H SER A 60 25.786 40.525 -14.216 1.00 64.44 H new ATOM 0 HA SER A 60 23.577 38.745 -14.654 1.00 32.10 H new ATOM 0 HB2 SER A 60 23.720 40.248 -12.696 1.00 33.22 H new ATOM 0 HB3 SER A 60 23.749 41.652 -13.745 1.00 33.22 H new ATOM 0 HG SER A 60 21.625 41.212 -12.926 1.00 64.30 H new ATOM 847 N ARG A 61 24.038 41.310 -16.662 1.00 54.33 N ATOM 848 CA ARG A 61 23.635 41.892 -17.936 1.00 3.40 C ATOM 849 C ARG A 61 23.509 40.815 -19.009 1.00 15.43 C ATOM 850 O ARG A 61 22.436 40.612 -19.577 1.00 13.34 O ATOM 851 CB ARG A 61 24.644 42.954 -18.378 1.00 24.12 C ATOM 852 CG ARG A 61 24.781 44.110 -17.400 1.00 63.42 C ATOM 853 CD ARG A 61 23.866 45.266 -17.772 1.00 4.12 C ATOM 854 NE ARG A 61 24.427 46.556 -17.382 1.00 32.32 N ATOM 855 CZ ARG A 61 23.706 47.665 -17.262 1.00 33.53 C ATOM 856 NH1 ARG A 61 22.402 47.642 -17.502 1.00 71.25 N ATOM 857 NH2 ARG A 61 24.290 48.801 -16.903 1.00 73.03 N ATOM 0 H ARG A 61 24.847 41.758 -16.231 1.00 54.33 H new ATOM 0 HA ARG A 61 22.661 42.362 -17.801 1.00 3.40 H new ATOM 0 HB2 ARG A 61 25.619 42.484 -18.510 1.00 24.12 H new ATOM 0 HB3 ARG A 61 24.344 43.345 -19.350 1.00 24.12 H new ATOM 0 HG2 ARG A 61 24.544 43.766 -16.393 1.00 63.42 H new ATOM 0 HG3 ARG A 61 25.815 44.454 -17.384 1.00 63.42 H new ATOM 0 HD2 ARG A 61 23.691 45.258 -18.848 1.00 4.12 H new ATOM 0 HD3 ARG A 61 22.898 45.131 -17.290 1.00 4.12 H new ATOM 0 HE ARG A 61 25.428 46.609 -17.191 1.00 32.32 H new ATOM 0 HH11 ARG A 61 21.950 46.771 -17.780 1.00 71.25 H new ATOM 0 HH12 ARG A 61 21.851 48.495 -17.409 1.00 71.25 H new ATOM 0 HH21 ARG A 61 25.293 48.823 -16.719 1.00 73.03 H new ATOM 0 HH22 ARG A 61 23.736 49.652 -16.811 1.00 73.03 H new ATOM 871 N VAL A 62 24.615 40.129 -19.284 1.00 42.34 N ATOM 872 CA VAL A 62 24.628 39.073 -20.289 1.00 32.31 C ATOM 873 C VAL A 62 23.527 38.051 -20.027 1.00 12.33 C ATOM 874 O VAL A 62 22.890 37.557 -20.958 1.00 63.23 O ATOM 875 CB VAL A 62 25.987 38.349 -20.323 1.00 73.21 C ATOM 876 CG1 VAL A 62 27.073 39.275 -20.849 1.00 2.24 C ATOM 877 CG2 VAL A 62 26.346 37.825 -18.941 1.00 35.44 C ATOM 0 H VAL A 62 25.512 40.286 -18.825 1.00 42.34 H new ATOM 0 HA VAL A 62 24.454 39.551 -21.253 1.00 32.31 H new ATOM 0 HB VAL A 62 25.909 37.499 -21.000 1.00 73.21 H new ATOM 0 HG11 VAL A 62 28.026 38.746 -20.866 1.00 2.24 H new ATOM 0 HG12 VAL A 62 26.819 39.597 -21.859 1.00 2.24 H new ATOM 0 HG13 VAL A 62 27.154 40.147 -20.200 1.00 2.24 H new ATOM 0 HG21 VAL A 62 27.309 37.316 -18.984 1.00 35.44 H new ATOM 0 HG22 VAL A 62 26.406 38.658 -18.240 1.00 35.44 H new ATOM 0 HG23 VAL A 62 25.580 37.125 -18.607 1.00 35.44 H new ATOM 887 N LYS A 63 23.306 37.739 -18.755 1.00 74.41 N ATOM 888 CA LYS A 63 22.281 36.778 -18.369 1.00 70.32 C ATOM 889 C LYS A 63 20.889 37.300 -18.712 1.00 65.35 C ATOM 890 O LYS A 63 20.047 36.561 -19.220 1.00 15.11 O ATOM 891 CB LYS A 63 22.371 36.479 -16.871 1.00 4.31 C ATOM 892 CG LYS A 63 21.408 35.399 -16.408 1.00 40.53 C ATOM 893 CD LYS A 63 21.231 35.420 -14.898 1.00 0.21 C ATOM 894 CE LYS A 63 20.159 36.413 -14.476 1.00 14.52 C ATOM 895 NZ LYS A 63 19.857 36.319 -13.022 1.00 61.33 N ATOM 0 H LYS A 63 23.824 38.139 -17.973 1.00 74.41 H new ATOM 0 HA LYS A 63 22.452 35.858 -18.927 1.00 70.32 H new ATOM 0 HB2 LYS A 63 23.389 36.174 -16.630 1.00 4.31 H new ATOM 0 HB3 LYS A 63 22.173 37.394 -16.314 1.00 4.31 H new ATOM 0 HG2 LYS A 63 20.441 35.541 -16.891 1.00 40.53 H new ATOM 0 HG3 LYS A 63 21.779 34.422 -16.718 1.00 40.53 H new ATOM 0 HD2 LYS A 63 20.963 34.423 -14.548 1.00 0.21 H new ATOM 0 HD3 LYS A 63 22.177 35.681 -14.423 1.00 0.21 H new ATOM 0 HE2 LYS A 63 20.487 37.425 -14.714 1.00 14.52 H new ATOM 0 HE3 LYS A 63 19.249 36.230 -15.048 1.00 14.52 H new ATOM 0 HZ1 LYS A 63 19.122 37.012 -12.775 1.00 61.33 H new ATOM 0 HZ2 LYS A 63 19.519 35.361 -12.799 1.00 61.33 H new ATOM 0 HZ3 LYS A 63 20.719 36.518 -12.475 1.00 61.33 H new ATOM 909 N ASN A 64 20.656 38.577 -18.431 1.00 54.41 N ATOM 910 CA ASN A 64 19.366 39.199 -18.710 1.00 62.03 C ATOM 911 C ASN A 64 19.104 39.255 -20.212 1.00 44.51 C ATOM 912 O ASN A 64 17.955 39.321 -20.650 1.00 24.24 O ATOM 913 CB ASN A 64 19.317 40.609 -18.119 1.00 72.15 C ATOM 914 CG ASN A 64 18.948 40.606 -16.648 1.00 11.21 C ATOM 915 OD1 ASN A 64 17.982 41.249 -16.237 1.00 3.31 O ATOM 916 ND2 ASN A 64 19.719 39.882 -15.846 1.00 21.44 N ATOM 0 H ASN A 64 21.343 39.202 -18.010 1.00 54.41 H new ATOM 0 HA ASN A 64 18.589 38.591 -18.246 1.00 62.03 H new ATOM 0 HB2 ASN A 64 20.288 41.087 -18.246 1.00 72.15 H new ATOM 0 HB3 ASN A 64 18.592 41.207 -18.672 1.00 72.15 H new ATOM 0 HD21 ASN A 64 19.521 39.843 -14.846 1.00 21.44 H new ATOM 0 HD22 ASN A 64 20.510 39.364 -16.229 1.00 21.44 H new ATOM 923 N LEU A 65 20.176 39.228 -20.995 1.00 21.30 N ATOM 924 CA LEU A 65 20.062 39.276 -22.449 1.00 32.13 C ATOM 925 C LEU A 65 19.078 38.225 -22.953 1.00 4.32 C ATOM 926 O LEU A 65 18.962 37.166 -22.340 1.00 60.42 O ATOM 927 CB LEU A 65 21.432 39.058 -23.094 1.00 34.44 C ATOM 928 CG LEU A 65 21.663 39.762 -24.432 1.00 22.44 C ATOM 929 CD1 LEU A 65 23.017 39.380 -25.010 1.00 31.20 C ATOM 930 CD2 LEU A 65 20.549 39.423 -25.412 1.00 12.40 C ATOM 0 H LEU A 65 21.134 39.173 -20.648 1.00 21.30 H new ATOM 0 HA LEU A 65 19.688 40.261 -22.728 1.00 32.13 H new ATOM 0 HB2 LEU A 65 22.198 39.391 -22.394 1.00 34.44 H new ATOM 0 HB3 LEU A 65 21.577 37.988 -23.240 1.00 34.44 H new ATOM 0 HG LEU A 65 21.655 40.838 -24.260 1.00 22.44 H new ATOM 0 HD11 LEU A 65 23.163 39.891 -25.962 1.00 31.20 H new ATOM 0 HD12 LEU A 65 23.805 39.673 -24.316 1.00 31.20 H new ATOM 0 HD13 LEU A 65 23.055 38.302 -25.167 1.00 31.20 H new ATOM 0 HD21 LEU A 65 20.730 39.932 -26.359 1.00 12.40 H new ATOM 0 HD22 LEU A 65 20.526 38.346 -25.578 1.00 12.40 H new ATOM 0 HD23 LEU A 65 19.593 39.747 -25.002 1.00 12.40 H new