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) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 89:sc= 0.841 USER MOD Single : A 35 THR OG1 : rot 72:sc= 0.654 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.9!) USER MOD Single : A 48 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.32) USER MOD Single : A 50 SER OG : rot 180:sc= -0.91 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -32:sc= 0.332 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 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.25 X(o=-1.3,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 13 36.336 6.400 -25.802 1.00 62.52 N ATOM 71 CA ILE A 13 36.209 6.896 -24.436 1.00 60.14 C ATOM 72 C ILE A 13 37.567 6.958 -23.747 1.00 45.11 C ATOM 73 O ILE A 13 37.832 7.858 -22.950 1.00 23.12 O ATOM 74 CB ILE A 13 35.263 6.013 -23.602 1.00 74.00 C ATOM 75 CG1 ILE A 13 35.058 6.618 -22.213 1.00 32.41 C ATOM 76 CG2 ILE A 13 35.814 4.599 -23.494 1.00 13.34 C ATOM 77 CD1 ILE A 13 34.480 5.645 -21.209 1.00 51.00 C ATOM 0 HA ILE A 13 35.791 7.900 -24.502 1.00 60.14 H new ATOM 0 HB ILE A 13 34.297 5.967 -24.104 1.00 74.00 H new ATOM 0 HG12 ILE A 13 36.014 6.986 -21.841 1.00 32.41 H new ATOM 0 HG13 ILE A 13 34.395 7.479 -22.295 1.00 32.41 H new ATOM 0 HG21 ILE A 13 35.133 3.988 -22.901 1.00 13.34 H new ATOM 0 HG22 ILE A 13 35.913 4.170 -24.491 1.00 13.34 H new ATOM 0 HG23 ILE A 13 36.791 4.625 -23.012 1.00 13.34 H new ATOM 0 HD11 ILE A 13 34.362 6.143 -20.246 1.00 51.00 H new ATOM 0 HD12 ILE A 13 33.508 5.296 -21.559 1.00 51.00 H new ATOM 0 HD13 ILE A 13 35.153 4.795 -21.098 1.00 51.00 H new ATOM 89 N VAL A 14 38.429 5.994 -24.059 1.00 21.22 N ATOM 90 CA VAL A 14 39.763 5.940 -23.471 1.00 22.51 C ATOM 91 C VAL A 14 40.601 7.140 -23.901 1.00 63.44 C ATOM 92 O VAL A 14 41.455 7.612 -23.151 1.00 11.42 O ATOM 93 CB VAL A 14 40.498 4.646 -23.866 1.00 64.41 C ATOM 94 CG1 VAL A 14 39.853 3.441 -23.197 1.00 40.52 C ATOM 95 CG2 VAL A 14 40.513 4.482 -25.378 1.00 1.43 C ATOM 0 H VAL A 14 38.227 5.240 -24.716 1.00 21.22 H new ATOM 0 HA VAL A 14 39.634 5.959 -22.389 1.00 22.51 H new ATOM 0 HB VAL A 14 41.530 4.715 -23.521 1.00 64.41 H new ATOM 0 HG11 VAL A 14 40.385 2.535 -23.487 1.00 40.52 H new ATOM 0 HG12 VAL A 14 39.899 3.558 -22.114 1.00 40.52 H new ATOM 0 HG13 VAL A 14 38.811 3.366 -23.509 1.00 40.52 H new ATOM 0 HG21 VAL A 14 41.036 3.562 -25.639 1.00 1.43 H new ATOM 0 HG22 VAL A 14 39.489 4.435 -25.749 1.00 1.43 H new ATOM 0 HG23 VAL A 14 41.024 5.331 -25.831 1.00 1.43 H new ATOM 105 N ASN A 15 40.350 7.626 -25.112 1.00 25.23 N ATOM 106 CA ASN A 15 41.082 8.772 -25.641 1.00 50.22 C ATOM 107 C ASN A 15 40.406 10.080 -25.246 1.00 12.31 C ATOM 108 O ASN A 15 41.030 11.141 -25.254 1.00 51.30 O ATOM 109 CB ASN A 15 41.185 8.677 -27.164 1.00 53.03 C ATOM 110 CG ASN A 15 42.276 7.722 -27.613 1.00 21.53 C ATOM 111 OD1 ASN A 15 43.463 8.033 -27.523 1.00 30.24 O ATOM 112 ND2 ASN A 15 41.875 6.554 -28.098 1.00 75.13 N ATOM 0 H ASN A 15 39.647 7.245 -25.745 1.00 25.23 H new ATOM 0 HA ASN A 15 42.085 8.760 -25.214 1.00 50.22 H new ATOM 0 HB2 ASN A 15 40.228 8.348 -27.570 1.00 53.03 H new ATOM 0 HB3 ASN A 15 41.382 9.667 -27.574 1.00 53.03 H new ATOM 0 HD21 ASN A 15 42.562 5.870 -28.415 1.00 75.13 H new ATOM 0 HD22 ASN A 15 40.879 6.340 -28.154 1.00 75.13 H new ATOM 119 N SER A 16 39.125 9.997 -24.901 1.00 4.11 N ATOM 120 CA SER A 16 38.362 11.175 -24.505 1.00 73.33 C ATOM 121 C SER A 16 38.529 11.456 -23.015 1.00 3.52 C ATOM 122 O SER A 16 38.901 12.561 -22.618 1.00 41.52 O ATOM 123 CB SER A 16 36.880 10.984 -24.836 1.00 45.41 C ATOM 124 OG SER A 16 36.070 11.861 -24.074 1.00 3.24 O ATOM 0 H SER A 16 38.594 9.126 -24.888 1.00 4.11 H new ATOM 0 HA SER A 16 38.745 12.029 -25.063 1.00 73.33 H new ATOM 0 HB2 SER A 16 36.716 11.163 -25.899 1.00 45.41 H new ATOM 0 HB3 SER A 16 36.590 9.952 -24.638 1.00 45.41 H new ATOM 0 HG SER A 16 35.128 11.720 -24.305 1.00 3.24 H new ATOM 130 N VAL A 17 38.253 10.448 -22.194 1.00 24.10 N ATOM 131 CA VAL A 17 38.373 10.585 -20.748 1.00 72.12 C ATOM 132 C VAL A 17 39.819 10.849 -20.339 1.00 15.21 C ATOM 133 O VAL A 17 40.081 11.548 -19.359 1.00 12.21 O ATOM 134 CB VAL A 17 37.869 9.325 -20.020 1.00 24.45 C ATOM 135 CG1 VAL A 17 38.793 8.147 -20.286 1.00 15.32 C ATOM 136 CG2 VAL A 17 37.741 9.587 -18.527 1.00 14.03 C ATOM 0 H VAL A 17 37.945 9.527 -22.506 1.00 24.10 H new ATOM 0 HA VAL A 17 37.754 11.435 -20.459 1.00 72.12 H new ATOM 0 HB VAL A 17 36.881 9.075 -20.407 1.00 24.45 H new ATOM 0 HG11 VAL A 17 38.420 7.267 -19.763 1.00 15.32 H new ATOM 0 HG12 VAL A 17 38.827 7.946 -21.357 1.00 15.32 H new ATOM 0 HG13 VAL A 17 39.796 8.383 -19.929 1.00 15.32 H new ATOM 0 HG21 VAL A 17 37.384 8.686 -18.029 1.00 14.03 H new ATOM 0 HG22 VAL A 17 38.714 9.864 -18.122 1.00 14.03 H new ATOM 0 HG23 VAL A 17 37.033 10.399 -18.359 1.00 14.03 H new ATOM 146 N LEU A 18 40.754 10.286 -21.097 1.00 33.41 N ATOM 147 CA LEU A 18 42.174 10.461 -20.816 1.00 70.43 C ATOM 148 C LEU A 18 42.640 11.858 -21.210 1.00 31.43 C ATOM 149 O LEU A 18 43.419 12.489 -20.495 1.00 0.35 O ATOM 150 CB LEU A 18 42.995 9.407 -21.561 1.00 53.50 C ATOM 151 CG LEU A 18 44.488 9.367 -21.235 1.00 74.25 C ATOM 152 CD1 LEU A 18 45.226 10.476 -21.968 1.00 43.13 C ATOM 153 CD2 LEU A 18 44.709 9.477 -19.733 1.00 11.12 C ATOM 0 H LEU A 18 40.554 9.705 -21.911 1.00 33.41 H new ATOM 0 HA LEU A 18 42.324 10.338 -19.743 1.00 70.43 H new ATOM 0 HB2 LEU A 18 42.570 8.426 -21.347 1.00 53.50 H new ATOM 0 HB3 LEU A 18 42.882 9.577 -22.632 1.00 53.50 H new ATOM 0 HG LEU A 18 44.888 8.411 -21.572 1.00 74.25 H new ATOM 0 HD11 LEU A 18 46.287 10.431 -21.723 1.00 43.13 H new ATOM 0 HD12 LEU A 18 45.096 10.351 -23.043 1.00 43.13 H new ATOM 0 HD13 LEU A 18 44.824 11.443 -21.664 1.00 43.13 H new ATOM 0 HD21 LEU A 18 45.777 9.447 -19.519 1.00 11.12 H new ATOM 0 HD22 LEU A 18 44.293 10.418 -19.372 1.00 11.12 H new ATOM 0 HD23 LEU A 18 44.215 8.645 -19.231 1.00 11.12 H new ATOM 165 N LEU A 19 42.156 12.337 -22.351 1.00 24.32 N ATOM 166 CA LEU A 19 42.521 13.663 -22.840 1.00 53.01 C ATOM 167 C LEU A 19 41.852 14.753 -22.009 1.00 3.44 C ATOM 168 O LEU A 19 42.491 15.735 -21.627 1.00 33.10 O ATOM 169 CB LEU A 19 42.126 13.812 -24.310 1.00 71.43 C ATOM 170 CG LEU A 19 42.622 15.075 -25.015 1.00 61.11 C ATOM 171 CD1 LEU A 19 44.100 14.950 -25.352 1.00 44.33 C ATOM 172 CD2 LEU A 19 41.809 15.340 -26.272 1.00 72.22 C ATOM 0 H LEU A 19 41.510 11.828 -22.955 1.00 24.32 H new ATOM 0 HA LEU A 19 43.601 13.773 -22.747 1.00 53.01 H new ATOM 0 HB2 LEU A 19 42.500 12.945 -24.855 1.00 71.43 H new ATOM 0 HB3 LEU A 19 41.038 13.786 -24.377 1.00 71.43 H new ATOM 0 HG LEU A 19 42.492 15.920 -24.339 1.00 61.11 H new ATOM 0 HD11 LEU A 19 44.437 15.857 -25.853 1.00 44.33 H new ATOM 0 HD12 LEU A 19 44.672 14.809 -24.435 1.00 44.33 H new ATOM 0 HD13 LEU A 19 44.252 14.094 -26.010 1.00 44.33 H new ATOM 0 HD21 LEU A 19 42.177 16.243 -26.760 1.00 72.22 H new ATOM 0 HD22 LEU A 19 41.906 14.494 -26.953 1.00 72.22 H new ATOM 0 HD23 LEU A 19 40.760 15.473 -26.006 1.00 72.22 H new ATOM 184 N PHE A 20 40.567 14.573 -21.731 1.00 72.42 N ATOM 185 CA PHE A 20 39.812 15.541 -20.943 1.00 72.34 C ATOM 186 C PHE A 20 40.540 15.870 -19.643 1.00 23.24 C ATOM 187 O PHE A 20 40.544 17.017 -19.193 1.00 14.44 O ATOM 188 CB PHE A 20 38.413 15.001 -20.634 1.00 55.32 C ATOM 189 CG PHE A 20 37.379 16.076 -20.468 1.00 44.32 C ATOM 190 CD1 PHE A 20 37.432 16.945 -19.389 1.00 34.01 C ATOM 191 CD2 PHE A 20 36.354 16.217 -21.389 1.00 65.43 C ATOM 192 CE1 PHE A 20 36.481 17.935 -19.233 1.00 23.54 C ATOM 193 CE2 PHE A 20 35.399 17.206 -21.237 1.00 22.33 C ATOM 194 CZ PHE A 20 35.463 18.067 -20.159 1.00 64.14 C ATOM 0 H PHE A 20 40.025 13.766 -22.039 1.00 72.42 H new ATOM 0 HA PHE A 20 39.720 16.455 -21.529 1.00 72.34 H new ATOM 0 HB2 PHE A 20 38.105 14.332 -21.438 1.00 55.32 H new ATOM 0 HB3 PHE A 20 38.456 14.405 -19.722 1.00 55.32 H new ATOM 0 HD1 PHE A 20 38.225 16.847 -18.663 1.00 34.01 H new ATOM 0 HD2 PHE A 20 36.300 15.548 -22.235 1.00 65.43 H new ATOM 0 HE1 PHE A 20 36.533 18.606 -18.388 1.00 23.54 H new ATOM 0 HE2 PHE A 20 34.604 17.305 -21.961 1.00 22.33 H new ATOM 0 HZ PHE A 20 34.720 18.841 -20.040 1.00 64.14 H new ATOM 204 N LEU A 21 41.156 14.856 -19.042 1.00 33.41 N ATOM 205 CA LEU A 21 41.887 15.037 -17.794 1.00 34.21 C ATOM 206 C LEU A 21 43.058 15.996 -17.983 1.00 41.05 C ATOM 207 O LEU A 21 43.158 17.013 -17.297 1.00 71.44 O ATOM 208 CB LEU A 21 42.394 13.690 -17.279 1.00 63.34 C ATOM 209 CG LEU A 21 41.568 13.043 -16.165 1.00 21.35 C ATOM 210 CD1 LEU A 21 41.715 13.823 -14.868 1.00 1.11 C ATOM 211 CD2 LEU A 21 40.104 12.953 -16.572 1.00 62.13 C ATOM 0 H LEU A 21 41.163 13.901 -19.400 1.00 33.41 H new ATOM 0 HA LEU A 21 41.205 15.467 -17.060 1.00 34.21 H new ATOM 0 HB2 LEU A 21 42.441 12.997 -18.119 1.00 63.34 H new ATOM 0 HB3 LEU A 21 43.414 13.822 -16.918 1.00 63.34 H new ATOM 0 HG LEU A 21 41.943 12.033 -16.001 1.00 21.35 H new ATOM 0 HD11 LEU A 21 41.120 13.347 -14.088 1.00 1.11 H new ATOM 0 HD12 LEU A 21 42.763 13.836 -14.568 1.00 1.11 H new ATOM 0 HD13 LEU A 21 41.367 14.845 -15.017 1.00 1.11 H new ATOM 0 HD21 LEU A 21 39.531 12.490 -15.769 1.00 62.13 H new ATOM 0 HD22 LEU A 21 39.717 13.954 -16.764 1.00 62.13 H new ATOM 0 HD23 LEU A 21 40.014 12.350 -17.476 1.00 62.13 H new ATOM 223 N ALA A 22 43.941 15.665 -18.919 1.00 11.31 N ATOM 224 CA ALA A 22 45.104 16.498 -19.202 1.00 61.31 C ATOM 225 C ALA A 22 44.685 17.849 -19.773 1.00 70.10 C ATOM 226 O ALA A 22 45.455 18.809 -19.751 1.00 41.01 O ATOM 227 CB ALA A 22 46.043 15.785 -20.161 1.00 11.45 C ATOM 0 H ALA A 22 43.873 14.826 -19.495 1.00 11.31 H new ATOM 0 HA ALA A 22 45.629 16.677 -18.264 1.00 61.31 H new ATOM 0 HB1 ALA A 22 46.907 16.419 -20.363 1.00 11.45 H new ATOM 0 HB2 ALA A 22 46.377 14.848 -19.714 1.00 11.45 H new ATOM 0 HB3 ALA A 22 45.520 15.576 -21.094 1.00 11.45 H new ATOM 233 N PHE A 23 43.460 17.915 -20.285 1.00 62.30 N ATOM 234 CA PHE A 23 42.940 19.148 -20.864 1.00 24.40 C ATOM 235 C PHE A 23 42.533 20.133 -19.772 1.00 52.41 C ATOM 236 O PHE A 23 43.022 21.262 -19.725 1.00 3.32 O ATOM 237 CB PHE A 23 41.742 18.847 -21.767 1.00 53.02 C ATOM 238 CG PHE A 23 41.597 19.808 -22.911 1.00 54.31 C ATOM 239 CD1 PHE A 23 40.935 21.012 -22.744 1.00 22.45 C ATOM 240 CD2 PHE A 23 42.122 19.505 -24.158 1.00 45.44 C ATOM 241 CE1 PHE A 23 40.799 21.900 -23.795 1.00 42.34 C ATOM 242 CE2 PHE A 23 41.992 20.388 -25.213 1.00 4.22 C ATOM 243 CZ PHE A 23 41.329 21.586 -25.031 1.00 14.43 C ATOM 0 H PHE A 23 42.810 17.130 -20.311 1.00 62.30 H new ATOM 0 HA PHE A 23 43.732 19.601 -21.461 1.00 24.40 H new ATOM 0 HB2 PHE A 23 41.840 17.836 -22.163 1.00 53.02 H new ATOM 0 HB3 PHE A 23 40.832 18.868 -21.168 1.00 53.02 H new ATOM 0 HD1 PHE A 23 40.519 21.261 -21.779 1.00 22.45 H new ATOM 0 HD2 PHE A 23 42.638 18.568 -24.306 1.00 45.44 H new ATOM 0 HE1 PHE A 23 40.280 22.836 -23.650 1.00 42.34 H new ATOM 0 HE2 PHE A 23 42.408 20.142 -26.179 1.00 4.22 H new ATOM 0 HZ PHE A 23 41.225 22.277 -25.855 1.00 14.43 H new ATOM 253 N VAL A 24 41.635 19.697 -18.895 1.00 63.21 N ATOM 254 CA VAL A 24 41.162 20.540 -17.802 1.00 71.15 C ATOM 255 C VAL A 24 42.326 21.200 -17.074 1.00 51.21 C ATOM 256 O VAL A 24 42.380 22.423 -16.948 1.00 13.01 O ATOM 257 CB VAL A 24 40.330 19.729 -16.790 1.00 42.02 C ATOM 258 CG1 VAL A 24 39.755 20.644 -15.719 1.00 75.20 C ATOM 259 CG2 VAL A 24 39.224 18.965 -17.500 1.00 14.12 C ATOM 0 H VAL A 24 41.220 18.766 -18.919 1.00 63.21 H new ATOM 0 HA VAL A 24 40.532 21.311 -18.245 1.00 71.15 H new ATOM 0 HB VAL A 24 40.984 19.005 -16.304 1.00 42.02 H new ATOM 0 HG11 VAL A 24 39.170 20.055 -15.013 1.00 75.20 H new ATOM 0 HG12 VAL A 24 40.568 21.142 -15.191 1.00 75.20 H new ATOM 0 HG13 VAL A 24 39.114 21.392 -16.185 1.00 75.20 H new ATOM 0 HG21 VAL A 24 38.647 18.398 -16.770 1.00 14.12 H new ATOM 0 HG22 VAL A 24 38.568 19.668 -18.014 1.00 14.12 H new ATOM 0 HG23 VAL A 24 39.663 18.281 -18.226 1.00 14.12 H new ATOM 269 N VAL A 25 43.259 20.382 -16.596 1.00 22.10 N ATOM 270 CA VAL A 25 44.425 20.886 -15.881 1.00 0.03 C ATOM 271 C VAL A 25 45.108 22.004 -16.663 1.00 74.21 C ATOM 272 O VAL A 25 45.561 22.994 -16.085 1.00 74.43 O ATOM 273 CB VAL A 25 45.447 19.766 -15.611 1.00 4.23 C ATOM 274 CG1 VAL A 25 44.924 18.813 -14.546 1.00 55.32 C ATOM 275 CG2 VAL A 25 45.769 19.018 -16.896 1.00 32.31 C ATOM 0 H VAL A 25 43.229 19.367 -16.691 1.00 22.10 H new ATOM 0 HA VAL A 25 44.067 21.277 -14.929 1.00 0.03 H new ATOM 0 HB VAL A 25 46.367 20.218 -15.241 1.00 4.23 H new ATOM 0 HG11 VAL A 25 45.659 18.028 -14.368 1.00 55.32 H new ATOM 0 HG12 VAL A 25 44.748 19.362 -13.621 1.00 55.32 H new ATOM 0 HG13 VAL A 25 43.990 18.365 -14.885 1.00 55.32 H new ATOM 0 HG21 VAL A 25 46.493 18.230 -16.687 1.00 32.31 H new ATOM 0 HG22 VAL A 25 44.857 18.576 -17.298 1.00 32.31 H new ATOM 0 HG23 VAL A 25 46.188 19.711 -17.625 1.00 32.31 H new ATOM 285 N PHE A 26 45.177 21.841 -17.979 1.00 32.45 N ATOM 286 CA PHE A 26 45.804 22.836 -18.840 1.00 32.35 C ATOM 287 C PHE A 26 45.011 24.139 -18.834 1.00 11.33 C ATOM 288 O PHE A 26 45.581 25.226 -18.729 1.00 44.24 O ATOM 289 CB PHE A 26 45.919 22.303 -20.270 1.00 13.52 C ATOM 290 CG PHE A 26 47.329 21.980 -20.678 1.00 35.43 C ATOM 291 CD1 PHE A 26 47.918 20.786 -20.297 1.00 44.14 C ATOM 292 CD2 PHE A 26 48.063 22.870 -21.445 1.00 23.34 C ATOM 293 CE1 PHE A 26 49.215 20.487 -20.669 1.00 70.33 C ATOM 294 CE2 PHE A 26 49.361 22.577 -21.822 1.00 62.34 C ATOM 295 CZ PHE A 26 49.937 21.383 -21.434 1.00 71.01 C ATOM 0 H PHE A 26 44.806 21.029 -18.473 1.00 32.45 H new ATOM 0 HA PHE A 26 46.803 23.038 -18.452 1.00 32.35 H new ATOM 0 HB2 PHE A 26 45.307 21.406 -20.365 1.00 13.52 H new ATOM 0 HB3 PHE A 26 45.510 23.042 -20.959 1.00 13.52 H new ATOM 0 HD1 PHE A 26 47.357 20.080 -19.702 1.00 44.14 H new ATOM 0 HD2 PHE A 26 47.616 23.804 -21.752 1.00 23.34 H new ATOM 0 HE1 PHE A 26 49.664 19.554 -20.362 1.00 70.33 H new ATOM 0 HE2 PHE A 26 49.923 23.280 -22.419 1.00 62.34 H new ATOM 0 HZ PHE A 26 50.950 21.150 -21.728 1.00 71.01 H new ATOM 305 N LEU A 27 43.693 24.024 -18.948 1.00 35.30 N ATOM 306 CA LEU A 27 42.820 25.192 -18.956 1.00 73.02 C ATOM 307 C LEU A 27 42.820 25.881 -17.595 1.00 14.33 C ATOM 308 O LEU A 27 42.706 27.103 -17.507 1.00 22.13 O ATOM 309 CB LEU A 27 41.394 24.785 -19.334 1.00 63.33 C ATOM 310 CG LEU A 27 41.255 23.903 -20.575 1.00 73.52 C ATOM 311 CD1 LEU A 27 39.798 23.813 -21.005 1.00 42.31 C ATOM 312 CD2 LEU A 27 42.115 24.440 -21.711 1.00 21.42 C ATOM 0 H LEU A 27 43.205 23.133 -19.036 1.00 35.30 H new ATOM 0 HA LEU A 27 43.200 25.894 -19.698 1.00 73.02 H new ATOM 0 HB2 LEU A 27 40.951 24.260 -18.488 1.00 63.33 H new ATOM 0 HB3 LEU A 27 40.808 25.691 -19.489 1.00 63.33 H new ATOM 0 HG LEU A 27 41.602 22.901 -20.325 1.00 73.52 H new ATOM 0 HD11 LEU A 27 39.718 23.181 -21.890 1.00 42.31 H new ATOM 0 HD12 LEU A 27 39.206 23.383 -20.197 1.00 42.31 H new ATOM 0 HD13 LEU A 27 39.425 24.811 -21.237 1.00 42.31 H new ATOM 0 HD21 LEU A 27 42.003 23.800 -22.586 1.00 21.42 H new ATOM 0 HD22 LEU A 27 41.798 25.453 -21.960 1.00 21.42 H new ATOM 0 HD23 LEU A 27 43.160 24.453 -21.402 1.00 21.42 H new ATOM 324 N LEU A 28 42.952 25.088 -16.537 1.00 0.12 N ATOM 325 CA LEU A 28 42.970 25.623 -15.179 1.00 62.12 C ATOM 326 C LEU A 28 43.981 26.758 -15.055 1.00 21.30 C ATOM 327 O LEU A 28 43.637 27.868 -14.647 1.00 43.13 O ATOM 328 CB LEU A 28 43.305 24.514 -14.179 1.00 21.44 C ATOM 329 CG LEU A 28 42.179 23.527 -13.870 1.00 41.50 C ATOM 330 CD1 LEU A 28 42.646 22.482 -12.868 1.00 20.42 C ATOM 331 CD2 LEU A 28 40.954 24.263 -13.345 1.00 25.10 C ATOM 0 H LEU A 28 43.048 24.074 -16.593 1.00 0.12 H new ATOM 0 HA LEU A 28 41.979 26.018 -14.956 1.00 62.12 H new ATOM 0 HB2 LEU A 28 44.158 23.953 -14.561 1.00 21.44 H new ATOM 0 HB3 LEU A 28 43.621 24.978 -13.245 1.00 21.44 H new ATOM 0 HG LEU A 28 41.904 23.018 -14.794 1.00 41.50 H new ATOM 0 HD11 LEU A 28 41.832 21.788 -12.660 1.00 20.42 H new ATOM 0 HD12 LEU A 28 43.493 21.934 -13.282 1.00 20.42 H new ATOM 0 HD13 LEU A 28 42.949 22.974 -11.944 1.00 20.42 H new ATOM 0 HD21 LEU A 28 40.162 23.545 -13.130 1.00 25.10 H new ATOM 0 HD22 LEU A 28 41.215 24.799 -12.433 1.00 25.10 H new ATOM 0 HD23 LEU A 28 40.606 24.973 -14.096 1.00 25.10 H new ATOM 343 N VAL A 29 45.230 26.474 -15.410 1.00 4.44 N ATOM 344 CA VAL A 29 46.291 27.472 -15.341 1.00 23.15 C ATOM 345 C VAL A 29 46.261 28.390 -16.558 1.00 52.11 C ATOM 346 O VAL A 29 46.339 29.613 -16.431 1.00 41.33 O ATOM 347 CB VAL A 29 47.678 26.811 -15.242 1.00 1.32 C ATOM 348 CG1 VAL A 29 47.915 25.887 -16.428 1.00 63.30 C ATOM 349 CG2 VAL A 29 48.768 27.870 -15.157 1.00 61.35 C ATOM 0 H VAL A 29 45.532 25.560 -15.748 1.00 4.44 H new ATOM 0 HA VAL A 29 46.114 28.061 -14.441 1.00 23.15 H new ATOM 0 HB VAL A 29 47.712 26.212 -14.332 1.00 1.32 H new ATOM 0 HG11 VAL A 29 48.900 25.429 -16.341 1.00 63.30 H new ATOM 0 HG12 VAL A 29 47.152 25.108 -16.441 1.00 63.30 H new ATOM 0 HG13 VAL A 29 47.862 26.461 -17.353 1.00 63.30 H new ATOM 0 HG21 VAL A 29 49.742 27.385 -15.088 1.00 61.35 H new ATOM 0 HG22 VAL A 29 48.737 28.496 -16.049 1.00 61.35 H new ATOM 0 HG23 VAL A 29 48.607 28.488 -14.274 1.00 61.35 H new ATOM 359 N THR A 30 46.150 27.793 -17.741 1.00 72.02 N ATOM 360 CA THR A 30 46.111 28.556 -18.982 1.00 21.11 C ATOM 361 C THR A 30 45.062 29.659 -18.916 1.00 43.13 C ATOM 362 O THR A 30 45.191 30.692 -19.575 1.00 50.33 O ATOM 363 CB THR A 30 45.810 27.647 -20.189 1.00 4.54 C ATOM 364 OG1 THR A 30 46.929 26.792 -20.450 1.00 32.14 O ATOM 365 CG2 THR A 30 45.501 28.478 -21.426 1.00 30.13 C ATOM 0 H THR A 30 46.086 26.783 -17.865 1.00 72.02 H new ATOM 0 HA THR A 30 47.096 29.004 -19.110 1.00 21.11 H new ATOM 0 HB THR A 30 44.937 27.039 -19.950 1.00 4.54 H new ATOM 0 HG1 THR A 30 46.842 25.969 -19.924 1.00 32.14 H new ATOM 0 HG21 THR A 30 45.292 27.816 -22.266 1.00 30.13 H new ATOM 0 HG22 THR A 30 44.632 29.107 -21.234 1.00 30.13 H new ATOM 0 HG23 THR A 30 46.358 29.107 -21.665 1.00 30.13 H new ATOM 373 N LEU A 31 44.024 29.436 -18.118 1.00 52.32 N ATOM 374 CA LEU A 31 42.952 30.413 -17.965 1.00 11.14 C ATOM 375 C LEU A 31 43.481 31.714 -17.371 1.00 11.22 C ATOM 376 O LEU A 31 43.526 32.743 -18.046 1.00 43.22 O ATOM 377 CB LEU A 31 41.842 29.849 -17.077 1.00 60.13 C ATOM 378 CG LEU A 31 40.619 29.289 -17.804 1.00 31.13 C ATOM 379 CD1 LEU A 31 39.557 28.855 -16.806 1.00 23.43 C ATOM 380 CD2 LEU A 31 40.055 30.320 -18.770 1.00 13.22 C ATOM 0 H LEU A 31 43.902 28.587 -17.567 1.00 52.32 H new ATOM 0 HA LEU A 31 42.545 30.625 -18.954 1.00 11.14 H new ATOM 0 HB2 LEU A 31 42.266 29.058 -16.459 1.00 60.13 H new ATOM 0 HB3 LEU A 31 41.509 30.637 -16.402 1.00 60.13 H new ATOM 0 HG LEU A 31 40.929 28.415 -18.376 1.00 31.13 H new ATOM 0 HD11 LEU A 31 38.694 28.459 -17.342 1.00 23.43 H new ATOM 0 HD12 LEU A 31 39.965 28.083 -16.154 1.00 23.43 H new ATOM 0 HD13 LEU A 31 39.250 29.712 -16.206 1.00 23.43 H new ATOM 0 HD21 LEU A 31 39.185 29.904 -19.279 1.00 13.22 H new ATOM 0 HD22 LEU A 31 39.761 31.213 -18.218 1.00 13.22 H new ATOM 0 HD23 LEU A 31 40.815 30.583 -19.506 1.00 13.22 H new ATOM 392 N ALA A 32 43.883 31.661 -16.106 1.00 34.14 N ATOM 393 CA ALA A 32 44.415 32.835 -15.424 1.00 71.35 C ATOM 394 C ALA A 32 45.301 33.657 -16.353 1.00 41.03 C ATOM 395 O ALA A 32 45.228 34.885 -16.369 1.00 1.35 O ATOM 396 CB ALA A 32 45.190 32.417 -14.182 1.00 74.31 C ATOM 0 H ALA A 32 43.851 30.818 -15.532 1.00 34.14 H new ATOM 0 HA ALA A 32 43.575 33.461 -15.121 1.00 71.35 H new ATOM 0 HB1 ALA A 32 45.582 33.303 -13.682 1.00 74.31 H new ATOM 0 HB2 ALA A 32 44.527 31.881 -13.503 1.00 74.31 H new ATOM 0 HB3 ALA A 32 46.017 31.768 -14.470 1.00 74.31 H new ATOM 402 N ILE A 33 46.138 32.971 -17.125 1.00 62.44 N ATOM 403 CA ILE A 33 47.038 33.638 -18.056 1.00 12.21 C ATOM 404 C ILE A 33 46.304 34.709 -18.857 1.00 3.43 C ATOM 405 O ILE A 33 46.737 35.861 -18.913 1.00 13.53 O ATOM 406 CB ILE A 33 47.682 32.636 -19.032 1.00 50.01 C ATOM 407 CG1 ILE A 33 48.323 31.481 -18.261 1.00 2.45 C ATOM 408 CG2 ILE A 33 48.713 33.335 -19.905 1.00 12.42 C ATOM 409 CD1 ILE A 33 49.191 30.587 -19.121 1.00 33.33 C ATOM 0 H ILE A 33 46.211 31.954 -17.123 1.00 62.44 H new ATOM 0 HA ILE A 33 47.821 34.105 -17.459 1.00 12.21 H new ATOM 0 HB ILE A 33 46.904 32.229 -19.678 1.00 50.01 H new ATOM 0 HG12 ILE A 33 48.926 31.887 -17.449 1.00 2.45 H new ATOM 0 HG13 ILE A 33 47.537 30.880 -17.804 1.00 2.45 H new ATOM 0 HG21 ILE A 33 49.159 32.614 -20.589 1.00 12.42 H new ATOM 0 HG22 ILE A 33 48.229 34.126 -20.477 1.00 12.42 H new ATOM 0 HG23 ILE A 33 49.491 33.767 -19.275 1.00 12.42 H new ATOM 0 HD11 ILE A 33 49.612 29.790 -18.508 1.00 33.33 H new ATOM 0 HD12 ILE A 33 48.588 30.151 -19.918 1.00 33.33 H new ATOM 0 HD13 ILE A 33 49.999 31.175 -19.557 1.00 33.33 H new ATOM 421 N LEU A 34 45.192 34.324 -19.471 1.00 54.25 N ATOM 422 CA LEU A 34 44.396 35.251 -20.267 1.00 3.33 C ATOM 423 C LEU A 34 44.143 36.547 -19.503 1.00 3.52 C ATOM 424 O LEU A 34 43.970 37.611 -20.100 1.00 72.12 O ATOM 425 CB LEU A 34 43.064 34.609 -20.656 1.00 35.02 C ATOM 426 CG LEU A 34 42.450 35.081 -21.975 1.00 34.20 C ATOM 427 CD1 LEU A 34 41.347 34.133 -22.419 1.00 12.12 C ATOM 428 CD2 LEU A 34 41.915 36.498 -21.836 1.00 75.02 C ATOM 0 H LEU A 34 44.820 33.375 -19.433 1.00 54.25 H new ATOM 0 HA LEU A 34 44.957 35.486 -21.172 1.00 3.33 H new ATOM 0 HB2 LEU A 34 43.206 33.530 -20.710 1.00 35.02 H new ATOM 0 HB3 LEU A 34 42.347 34.796 -19.857 1.00 35.02 H new ATOM 0 HG LEU A 34 43.229 35.081 -22.738 1.00 34.20 H new ATOM 0 HD11 LEU A 34 40.922 34.485 -23.359 1.00 12.12 H new ATOM 0 HD12 LEU A 34 41.760 33.134 -22.559 1.00 12.12 H new ATOM 0 HD13 LEU A 34 40.567 34.100 -21.658 1.00 12.12 H new ATOM 0 HD21 LEU A 34 41.482 36.818 -22.784 1.00 75.02 H new ATOM 0 HD22 LEU A 34 41.150 36.524 -21.060 1.00 75.02 H new ATOM 0 HD23 LEU A 34 42.730 37.169 -21.564 1.00 75.02 H new ATOM 440 N THR A 35 44.128 36.452 -18.177 1.00 24.13 N ATOM 441 CA THR A 35 43.898 37.616 -17.331 1.00 50.44 C ATOM 442 C THR A 35 44.967 38.679 -17.555 1.00 3.43 C ATOM 443 O THR A 35 44.665 39.868 -17.644 1.00 25.02 O ATOM 444 CB THR A 35 43.878 37.231 -15.839 1.00 32.11 C ATOM 445 OG1 THR A 35 43.041 36.086 -15.640 1.00 24.10 O ATOM 446 CG2 THR A 35 43.378 38.387 -14.988 1.00 22.30 C ATOM 0 H THR A 35 44.272 35.581 -17.666 1.00 24.13 H new ATOM 0 HA THR A 35 42.924 38.020 -17.608 1.00 50.44 H new ATOM 0 HB THR A 35 44.897 36.992 -15.534 1.00 32.11 H new ATOM 0 HG1 THR A 35 43.484 35.290 -16.002 1.00 24.10 H new ATOM 0 HG21 THR A 35 43.373 38.091 -13.939 1.00 22.30 H new ATOM 0 HG22 THR A 35 44.035 39.246 -15.119 1.00 22.30 H new ATOM 0 HG23 THR A 35 42.367 38.654 -15.295 1.00 22.30 H new ATOM 454 N ALA A 36 46.220 38.242 -17.646 1.00 24.23 N ATOM 455 CA ALA A 36 47.333 39.156 -17.863 1.00 14.53 C ATOM 456 C ALA A 36 47.016 40.156 -18.970 1.00 51.41 C ATOM 457 O ALA A 36 47.473 41.299 -18.938 1.00 10.10 O ATOM 458 CB ALA A 36 48.597 38.378 -18.199 1.00 43.35 C ATOM 0 H ALA A 36 46.488 37.261 -17.573 1.00 24.23 H new ATOM 0 HA ALA A 36 47.496 39.714 -16.941 1.00 14.53 H new ATOM 0 HB1 ALA A 36 49.421 39.074 -18.359 1.00 43.35 H new ATOM 0 HB2 ALA A 36 48.842 37.708 -17.375 1.00 43.35 H new ATOM 0 HB3 ALA A 36 48.435 37.794 -19.105 1.00 43.35 H new ATOM 464 N LEU A 37 46.232 39.718 -19.948 1.00 52.22 N ATOM 465 CA LEU A 37 45.854 40.574 -21.068 1.00 61.44 C ATOM 466 C LEU A 37 44.824 41.612 -20.634 1.00 1.31 C ATOM 467 O LEU A 37 44.933 42.790 -20.977 1.00 62.50 O ATOM 468 CB LEU A 37 45.293 39.731 -22.214 1.00 63.13 C ATOM 469 CG LEU A 37 46.325 39.022 -23.092 1.00 0.43 C ATOM 470 CD1 LEU A 37 47.279 40.030 -23.715 1.00 63.04 C ATOM 471 CD2 LEU A 37 47.094 37.987 -22.284 1.00 32.45 C ATOM 0 H LEU A 37 45.845 38.775 -19.989 1.00 52.22 H new ATOM 0 HA LEU A 37 46.747 41.095 -21.413 1.00 61.44 H new ATOM 0 HB2 LEU A 37 44.626 38.979 -21.793 1.00 63.13 H new ATOM 0 HB3 LEU A 37 44.686 40.376 -22.850 1.00 63.13 H new ATOM 0 HG LEU A 37 45.797 38.507 -23.895 1.00 0.43 H new ATOM 0 HD11 LEU A 37 48.006 39.507 -24.336 1.00 63.04 H new ATOM 0 HD12 LEU A 37 46.716 40.733 -24.329 1.00 63.04 H new ATOM 0 HD13 LEU A 37 47.800 40.574 -22.927 1.00 63.04 H new ATOM 0 HD21 LEU A 37 47.824 37.493 -22.926 1.00 32.45 H new ATOM 0 HD22 LEU A 37 47.610 38.479 -21.460 1.00 32.45 H new ATOM 0 HD23 LEU A 37 46.400 37.246 -21.887 1.00 32.45 H new ATOM 483 N ARG A 38 43.825 41.168 -19.877 1.00 15.23 N ATOM 484 CA ARG A 38 42.777 42.060 -19.396 1.00 41.12 C ATOM 485 C ARG A 38 43.376 43.292 -18.725 1.00 43.03 C ATOM 486 O ARG A 38 43.132 44.422 -19.146 1.00 34.14 O ATOM 487 CB ARG A 38 41.864 41.324 -18.414 1.00 64.35 C ATOM 488 CG ARG A 38 40.390 41.649 -18.591 1.00 52.30 C ATOM 489 CD ARG A 38 39.833 41.032 -19.866 1.00 62.23 C ATOM 490 NE ARG A 38 39.325 39.681 -19.643 1.00 25.01 N ATOM 491 CZ ARG A 38 38.938 38.872 -20.623 1.00 24.23 C ATOM 492 NH1 ARG A 38 38.998 39.274 -21.884 1.00 45.51 N ATOM 493 NH2 ARG A 38 38.486 37.656 -20.341 1.00 2.32 N ATOM 0 H ARG A 38 43.720 40.197 -19.584 1.00 15.23 H new ATOM 0 HA ARG A 38 42.190 42.386 -20.254 1.00 41.12 H new ATOM 0 HB2 ARG A 38 42.007 40.250 -18.533 1.00 64.35 H new ATOM 0 HB3 ARG A 38 42.163 41.574 -17.396 1.00 64.35 H new ATOM 0 HG2 ARG A 38 39.829 41.281 -17.732 1.00 52.30 H new ATOM 0 HG3 ARG A 38 40.255 42.730 -18.620 1.00 52.30 H new ATOM 0 HD2 ARG A 38 39.032 41.661 -20.253 1.00 62.23 H new ATOM 0 HD3 ARG A 38 40.613 41.005 -20.627 1.00 62.23 H new ATOM 0 HE ARG A 38 39.264 39.340 -18.683 1.00 25.01 H new ATOM 0 HH11 ARG A 38 39.342 40.208 -22.106 1.00 45.51 H new ATOM 0 HH12 ARG A 38 38.700 38.649 -22.633 1.00 45.51 H new ATOM 0 HH21 ARG A 38 38.436 37.343 -19.372 1.00 2.32 H new ATOM 0 HH22 ARG A 38 38.189 37.035 -21.094 1.00 2.32 H new ATOM 507 N LEU A 39 44.161 43.066 -17.677 1.00 50.22 N ATOM 508 CA LEU A 39 44.794 44.157 -16.946 1.00 44.42 C ATOM 509 C LEU A 39 45.509 45.108 -17.899 1.00 4.42 C ATOM 510 O LEU A 39 45.587 46.311 -17.650 1.00 34.42 O ATOM 511 CB LEU A 39 45.788 43.601 -15.923 1.00 21.03 C ATOM 512 CG LEU A 39 45.196 42.721 -14.821 1.00 31.33 C ATOM 513 CD1 LEU A 39 45.299 41.252 -15.200 1.00 70.54 C ATOM 514 CD2 LEU A 39 45.895 42.983 -13.495 1.00 43.13 C ATOM 0 H LEU A 39 44.374 42.137 -17.315 1.00 50.22 H new ATOM 0 HA LEU A 39 44.015 44.712 -16.424 1.00 44.42 H new ATOM 0 HB2 LEU A 39 46.542 43.022 -16.456 1.00 21.03 H new ATOM 0 HB3 LEU A 39 46.303 44.439 -15.454 1.00 21.03 H new ATOM 0 HG LEU A 39 44.142 42.973 -14.708 1.00 31.33 H new ATOM 0 HD11 LEU A 39 44.873 40.640 -14.405 1.00 70.54 H new ATOM 0 HD12 LEU A 39 44.752 41.076 -16.126 1.00 70.54 H new ATOM 0 HD13 LEU A 39 46.346 40.985 -15.341 1.00 70.54 H new ATOM 0 HD21 LEU A 39 45.460 42.348 -12.723 1.00 43.13 H new ATOM 0 HD22 LEU A 39 46.957 42.759 -13.593 1.00 43.13 H new ATOM 0 HD23 LEU A 39 45.769 44.030 -13.218 1.00 43.13 H new ATOM 526 N ALA A 40 46.027 44.562 -18.994 1.00 13.55 N ATOM 527 CA ALA A 40 46.731 45.363 -19.989 1.00 44.32 C ATOM 528 C ALA A 40 45.824 46.444 -20.564 1.00 24.33 C ATOM 529 O ALA A 40 46.289 47.515 -20.957 1.00 72.14 O ATOM 530 CB ALA A 40 47.267 44.474 -21.101 1.00 61.21 C ATOM 0 H ALA A 40 45.973 43.568 -19.215 1.00 13.55 H new ATOM 0 HA ALA A 40 47.570 45.854 -19.496 1.00 44.32 H new ATOM 0 HB1 ALA A 40 47.790 45.086 -21.836 1.00 61.21 H new ATOM 0 HB2 ALA A 40 47.957 43.742 -20.681 1.00 61.21 H new ATOM 0 HB3 ALA A 40 46.438 43.956 -21.584 1.00 61.21 H new ATOM 536 N ALA A 41 44.527 46.159 -20.612 1.00 75.51 N ATOM 537 CA ALA A 41 43.554 47.107 -21.139 1.00 25.44 C ATOM 538 C ALA A 41 43.485 48.361 -20.273 1.00 1.12 C ATOM 539 O ALA A 41 43.459 49.481 -20.786 1.00 72.22 O ATOM 540 CB ALA A 41 42.182 46.457 -21.239 1.00 34.10 C ATOM 0 H ALA A 41 44.126 45.278 -20.292 1.00 75.51 H new ATOM 0 HA ALA A 41 43.877 47.403 -22.137 1.00 25.44 H new ATOM 0 HB1 ALA A 41 41.466 47.178 -21.634 1.00 34.10 H new ATOM 0 HB2 ALA A 41 42.235 45.596 -21.905 1.00 34.10 H new ATOM 0 HB3 ALA A 41 41.861 46.131 -20.250 1.00 34.10 H new ATOM 546 N TYR A 42 43.456 48.166 -18.960 1.00 22.21 N ATOM 547 CA TYR A 42 43.387 49.281 -18.023 1.00 64.41 C ATOM 548 C TYR A 42 44.626 50.164 -18.134 1.00 45.33 C ATOM 549 O TYR A 42 44.604 51.334 -17.756 1.00 4.01 O ATOM 550 CB TYR A 42 43.242 48.763 -16.591 1.00 3.02 C ATOM 551 CG TYR A 42 41.826 48.378 -16.226 1.00 14.45 C ATOM 552 CD1 TYR A 42 41.121 47.452 -16.983 1.00 74.42 C ATOM 553 CD2 TYR A 42 41.195 48.942 -15.125 1.00 31.34 C ATOM 554 CE1 TYR A 42 39.827 47.096 -16.654 1.00 25.24 C ATOM 555 CE2 TYR A 42 39.901 48.593 -14.788 1.00 44.01 C ATOM 556 CZ TYR A 42 39.221 47.670 -15.555 1.00 42.30 C ATOM 557 OH TYR A 42 37.932 47.320 -15.223 1.00 54.11 O ATOM 0 H TYR A 42 43.479 47.246 -18.520 1.00 22.21 H new ATOM 0 HA TYR A 42 42.513 49.881 -18.275 1.00 64.41 H new ATOM 0 HB2 TYR A 42 43.890 47.897 -16.460 1.00 3.02 H new ATOM 0 HB3 TYR A 42 43.591 49.530 -15.899 1.00 3.02 H new ATOM 0 HD1 TYR A 42 41.592 47.002 -17.844 1.00 74.42 H new ATOM 0 HD2 TYR A 42 41.724 49.665 -14.522 1.00 31.34 H new ATOM 0 HE1 TYR A 42 39.293 46.373 -17.253 1.00 25.24 H new ATOM 0 HE2 TYR A 42 39.425 49.041 -13.928 1.00 44.01 H new ATOM 0 HH TYR A 42 37.655 47.814 -14.423 1.00 54.11 H new ATOM 567 N ALA A 43 45.706 49.592 -18.657 1.00 62.42 N ATOM 568 CA ALA A 43 46.955 50.326 -18.820 1.00 11.34 C ATOM 569 C ALA A 43 46.759 51.548 -19.710 1.00 2.43 C ATOM 570 O ALA A 43 47.600 52.449 -19.737 1.00 60.35 O ATOM 571 CB ALA A 43 48.029 49.416 -19.398 1.00 20.04 C ATOM 0 H ALA A 43 45.741 48.623 -18.975 1.00 62.42 H new ATOM 0 HA ALA A 43 47.277 50.672 -17.838 1.00 11.34 H new ATOM 0 HB1 ALA A 43 48.957 49.976 -19.515 1.00 20.04 H new ATOM 0 HB2 ALA A 43 48.195 48.576 -18.724 1.00 20.04 H new ATOM 0 HB3 ALA A 43 47.706 49.043 -20.370 1.00 20.04 H new ATOM 577 N ALA A 44 45.648 51.575 -20.437 1.00 3.31 N ATOM 578 CA ALA A 44 45.343 52.688 -21.326 1.00 43.51 C ATOM 579 C ALA A 44 44.676 53.831 -20.568 1.00 61.43 C ATOM 580 O ALA A 44 44.491 54.921 -21.105 1.00 31.31 O ATOM 581 CB ALA A 44 44.454 52.223 -22.470 1.00 74.02 C ATOM 0 H ALA A 44 44.943 50.838 -20.428 1.00 3.31 H new ATOM 0 HA ALA A 44 46.282 53.058 -21.737 1.00 43.51 H new ATOM 0 HB1 ALA A 44 44.235 53.065 -23.126 1.00 74.02 H new ATOM 0 HB2 ALA A 44 44.967 51.446 -23.037 1.00 74.02 H new ATOM 0 HB3 ALA A 44 43.523 51.824 -22.068 1.00 74.02 H new ATOM 587 N ASN A 45 44.318 53.573 -19.314 1.00 53.14 N ATOM 588 CA ASN A 45 43.671 54.579 -18.481 1.00 64.25 C ATOM 589 C ASN A 45 44.648 55.150 -17.458 1.00 75.44 C ATOM 590 O ASN A 45 45.050 56.310 -17.549 1.00 12.52 O ATOM 591 CB ASN A 45 42.460 53.977 -17.764 1.00 14.32 C ATOM 592 CG ASN A 45 41.396 55.013 -17.456 1.00 72.04 C ATOM 593 OD1 ASN A 45 41.687 56.068 -16.893 1.00 35.25 O ATOM 594 ND2 ASN A 45 40.156 54.715 -17.824 1.00 52.15 N ATOM 0 H ASN A 45 44.465 52.675 -18.853 1.00 53.14 H new ATOM 0 HA ASN A 45 43.336 55.389 -19.129 1.00 64.25 H new ATOM 0 HB2 ASN A 45 42.029 53.190 -18.383 1.00 14.32 H new ATOM 0 HB3 ASN A 45 42.787 53.509 -16.836 1.00 14.32 H new ATOM 0 HD21 ASN A 45 39.398 55.373 -17.642 1.00 52.15 H new ATOM 0 HD22 ASN A 45 39.961 53.828 -18.288 1.00 52.15 H new ATOM 601 N ILE A 46 45.027 54.328 -16.486 1.00 71.42 N ATOM 602 CA ILE A 46 45.959 54.750 -15.449 1.00 65.43 C ATOM 603 C ILE A 46 47.178 53.835 -15.399 1.00 12.44 C ATOM 604 O ILE A 46 48.289 54.247 -15.735 1.00 62.32 O ATOM 605 CB ILE A 46 45.288 54.767 -14.062 1.00 74.45 C ATOM 606 CG1 ILE A 46 44.108 53.791 -14.030 1.00 31.13 C ATOM 607 CG2 ILE A 46 44.828 56.174 -13.712 1.00 53.32 C ATOM 608 CD1 ILE A 46 42.799 54.412 -14.470 1.00 43.13 C ATOM 0 H ILE A 46 44.703 53.365 -16.395 1.00 71.42 H new ATOM 0 HA ILE A 46 46.277 55.761 -15.703 1.00 65.43 H new ATOM 0 HB ILE A 46 46.019 54.450 -13.318 1.00 74.45 H new ATOM 0 HG12 ILE A 46 44.332 52.941 -14.674 1.00 31.13 H new ATOM 0 HG13 ILE A 46 43.995 53.403 -13.018 1.00 31.13 H new ATOM 0 HG21 ILE A 46 44.356 56.169 -12.729 1.00 53.32 H new ATOM 0 HG22 ILE A 46 45.687 56.845 -13.698 1.00 53.32 H new ATOM 0 HG23 ILE A 46 44.111 56.518 -14.457 1.00 53.32 H new ATOM 0 HD11 ILE A 46 42.007 53.664 -14.423 1.00 43.13 H new ATOM 0 HD12 ILE A 46 42.552 55.244 -13.811 1.00 43.13 H new ATOM 0 HD13 ILE A 46 42.894 54.775 -15.493 1.00 43.13 H new ATOM 620 N VAL A 47 46.964 52.593 -14.980 1.00 70.12 N ATOM 621 CA VAL A 47 48.045 51.618 -14.889 1.00 3.14 C ATOM 622 C VAL A 47 47.625 50.277 -15.477 1.00 50.33 C ATOM 623 O VAL A 47 46.469 50.086 -15.851 1.00 74.30 O ATOM 624 CB VAL A 47 48.492 51.411 -13.429 1.00 11.20 C ATOM 625 CG1 VAL A 47 49.289 52.610 -12.939 1.00 24.02 C ATOM 626 CG2 VAL A 47 47.288 51.158 -12.535 1.00 60.30 C ATOM 0 H VAL A 47 46.051 52.237 -14.698 1.00 70.12 H new ATOM 0 HA VAL A 47 48.881 52.016 -15.463 1.00 3.14 H new ATOM 0 HB VAL A 47 49.138 50.534 -13.386 1.00 11.20 H new ATOM 0 HG11 VAL A 47 49.596 52.445 -11.906 1.00 24.02 H new ATOM 0 HG12 VAL A 47 50.173 52.740 -13.564 1.00 24.02 H new ATOM 0 HG13 VAL A 47 48.670 53.506 -12.995 1.00 24.02 H new ATOM 0 HG21 VAL A 47 47.622 51.014 -11.507 1.00 60.30 H new ATOM 0 HG22 VAL A 47 46.614 52.014 -12.581 1.00 60.30 H new ATOM 0 HG23 VAL A 47 46.764 50.265 -12.875 1.00 60.30 H new ATOM 636 N ASN A 48 48.573 49.348 -15.554 1.00 40.04 N ATOM 637 CA ASN A 48 48.302 48.022 -16.096 1.00 14.52 C ATOM 638 C ASN A 48 47.687 47.115 -15.035 1.00 3.22 C ATOM 639 O ASN A 48 47.980 45.920 -14.979 1.00 45.11 O ATOM 640 CB ASN A 48 49.590 47.396 -16.636 1.00 64.43 C ATOM 641 CG ASN A 48 50.743 47.513 -15.658 1.00 54.21 C ATOM 642 OD1 ASN A 48 50.740 46.883 -14.600 1.00 62.15 O ATOM 643 ND2 ASN A 48 51.736 48.322 -16.008 1.00 53.25 N ATOM 0 H ASN A 48 49.536 49.490 -15.248 1.00 40.04 H new ATOM 0 HA ASN A 48 47.588 48.130 -16.913 1.00 14.52 H new ATOM 0 HB2 ASN A 48 49.413 46.344 -16.861 1.00 64.43 H new ATOM 0 HB3 ASN A 48 49.861 47.881 -17.574 1.00 64.43 H new ATOM 0 HD21 ASN A 48 52.539 48.441 -15.390 1.00 53.25 H new ATOM 0 HD22 ASN A 48 51.696 48.824 -16.895 1.00 53.25 H new ATOM 650 N VAL A 49 46.835 47.690 -14.194 1.00 40.12 N ATOM 651 CA VAL A 49 46.178 46.935 -13.135 1.00 74.23 C ATOM 652 C VAL A 49 44.666 46.914 -13.330 1.00 21.33 C ATOM 653 O VAL A 49 44.069 47.910 -13.738 1.00 34.14 O ATOM 654 CB VAL A 49 46.497 47.520 -11.746 1.00 21.43 C ATOM 655 CG1 VAL A 49 45.816 46.707 -10.655 1.00 61.21 C ATOM 656 CG2 VAL A 49 48.000 47.572 -11.523 1.00 71.12 C ATOM 0 H VAL A 49 46.583 48.678 -14.226 1.00 40.12 H new ATOM 0 HA VAL A 49 46.562 45.916 -13.189 1.00 74.23 H new ATOM 0 HB VAL A 49 46.111 48.538 -11.702 1.00 21.43 H new ATOM 0 HG11 VAL A 49 46.053 47.135 -9.681 1.00 61.21 H new ATOM 0 HG12 VAL A 49 44.737 46.726 -10.807 1.00 61.21 H new ATOM 0 HG13 VAL A 49 46.170 45.677 -10.694 1.00 61.21 H new ATOM 0 HG21 VAL A 49 48.207 47.988 -10.537 1.00 71.12 H new ATOM 0 HG22 VAL A 49 48.412 46.565 -11.586 1.00 71.12 H new ATOM 0 HG23 VAL A 49 48.459 48.201 -12.286 1.00 71.12 H new ATOM 666 N SER A 50 44.052 45.773 -13.036 1.00 52.13 N ATOM 667 CA SER A 50 42.609 45.622 -13.183 1.00 71.15 C ATOM 668 C SER A 50 42.125 44.342 -12.505 1.00 24.24 C ATOM 669 O SER A 50 42.924 43.558 -11.990 1.00 13.25 O ATOM 670 CB SER A 50 42.224 45.603 -14.663 1.00 15.30 C ATOM 671 OG SER A 50 42.165 44.277 -15.159 1.00 11.01 O ATOM 0 H SER A 50 44.531 44.940 -12.695 1.00 52.13 H new ATOM 0 HA SER A 50 42.129 46.474 -12.701 1.00 71.15 H new ATOM 0 HB2 SER A 50 41.257 46.088 -14.796 1.00 15.30 H new ATOM 0 HB3 SER A 50 42.950 46.177 -15.238 1.00 15.30 H new ATOM 0 HG SER A 50 41.915 44.293 -16.107 1.00 11.01 H new ATOM 677 N LEU A 51 40.813 44.139 -12.508 1.00 61.30 N ATOM 678 CA LEU A 51 40.221 42.956 -11.893 1.00 12.03 C ATOM 679 C LEU A 51 38.924 42.568 -12.597 1.00 72.10 C ATOM 680 O LEU A 51 38.554 43.161 -13.611 1.00 44.50 O ATOM 681 CB LEU A 51 39.953 43.208 -10.409 1.00 73.25 C ATOM 682 CG LEU A 51 41.179 43.500 -9.545 1.00 1.44 C ATOM 683 CD1 LEU A 51 41.488 44.989 -9.543 1.00 4.33 C ATOM 684 CD2 LEU A 51 40.965 42.996 -8.125 1.00 21.00 C ATOM 0 H LEU A 51 40.138 44.778 -12.929 1.00 61.30 H new ATOM 0 HA LEU A 51 40.928 42.133 -11.993 1.00 12.03 H new ATOM 0 HB2 LEU A 51 39.264 44.048 -10.323 1.00 73.25 H new ATOM 0 HB3 LEU A 51 39.444 42.335 -9.999 1.00 73.25 H new ATOM 0 HG LEU A 51 42.033 42.973 -9.971 1.00 1.44 H new ATOM 0 HD11 LEU A 51 42.364 45.178 -8.923 1.00 4.33 H new ATOM 0 HD12 LEU A 51 41.687 45.321 -10.562 1.00 4.33 H new ATOM 0 HD13 LEU A 51 40.635 45.537 -9.143 1.00 4.33 H new ATOM 0 HD21 LEU A 51 41.849 43.213 -7.525 1.00 21.00 H new ATOM 0 HD22 LEU A 51 40.099 43.494 -7.689 1.00 21.00 H new ATOM 0 HD23 LEU A 51 40.794 41.920 -8.143 1.00 21.00 H new ATOM 696 N VAL A 52 38.237 41.570 -12.052 1.00 71.53 N ATOM 697 CA VAL A 52 36.979 41.104 -12.626 1.00 51.34 C ATOM 698 C VAL A 52 35.841 41.216 -11.619 1.00 63.34 C ATOM 699 O VAL A 52 34.678 40.991 -11.952 1.00 70.24 O ATOM 700 CB VAL A 52 37.087 39.643 -13.103 1.00 44.05 C ATOM 701 CG1 VAL A 52 37.164 38.698 -11.913 1.00 34.33 C ATOM 702 CG2 VAL A 52 35.911 39.288 -14.001 1.00 14.21 C ATOM 0 H VAL A 52 38.530 41.068 -11.214 1.00 71.53 H new ATOM 0 HA VAL A 52 36.766 41.743 -13.483 1.00 51.34 H new ATOM 0 HB VAL A 52 38.003 39.534 -13.683 1.00 44.05 H new ATOM 0 HG11 VAL A 52 37.240 37.670 -12.269 1.00 34.33 H new ATOM 0 HG12 VAL A 52 38.041 38.940 -11.313 1.00 34.33 H new ATOM 0 HG13 VAL A 52 36.266 38.806 -11.304 1.00 34.33 H new ATOM 0 HG21 VAL A 52 36.003 38.253 -14.329 1.00 14.21 H new ATOM 0 HG22 VAL A 52 34.980 39.412 -13.448 1.00 14.21 H new ATOM 0 HG23 VAL A 52 35.906 39.945 -14.871 1.00 14.21 H new ATOM 712 N LYS A 53 36.184 41.567 -10.383 1.00 33.12 N ATOM 713 CA LYS A 53 35.191 41.712 -9.325 1.00 1.43 C ATOM 714 C LYS A 53 34.164 42.781 -9.686 1.00 43.33 C ATOM 715 O LYS A 53 32.955 42.551 -9.650 1.00 13.23 O ATOM 716 CB LYS A 53 35.874 42.070 -8.002 1.00 32.52 C ATOM 717 CG LYS A 53 34.957 42.773 -7.018 1.00 4.41 C ATOM 718 CD LYS A 53 33.780 41.897 -6.624 1.00 4.13 C ATOM 719 CE LYS A 53 32.527 42.723 -6.382 1.00 3.00 C ATOM 720 NZ LYS A 53 32.368 43.080 -4.945 1.00 21.10 N ATOM 0 H LYS A 53 37.143 41.756 -10.090 1.00 33.12 H new ATOM 0 HA LYS A 53 34.673 40.759 -9.213 1.00 1.43 H new ATOM 0 HB2 LYS A 53 36.257 41.159 -7.542 1.00 32.52 H new ATOM 0 HB3 LYS A 53 36.733 42.709 -8.207 1.00 32.52 H new ATOM 0 HG2 LYS A 53 35.521 43.047 -6.127 1.00 4.41 H new ATOM 0 HG3 LYS A 53 34.590 43.699 -7.460 1.00 4.41 H new ATOM 0 HD2 LYS A 53 33.589 41.167 -7.410 1.00 4.13 H new ATOM 0 HD3 LYS A 53 34.028 41.337 -5.722 1.00 4.13 H new ATOM 0 HE2 LYS A 53 32.571 43.633 -6.980 1.00 3.00 H new ATOM 0 HE3 LYS A 53 31.653 42.164 -6.716 1.00 3.00 H new ATOM 0 HZ1 LYS A 53 31.502 43.643 -4.821 1.00 21.10 H new ATOM 0 HZ2 LYS A 53 32.301 42.211 -4.377 1.00 21.10 H new ATOM 0 HZ3 LYS A 53 33.190 43.635 -4.632 1.00 21.10 H new ATOM 734 N PRO A 54 34.654 43.978 -10.040 1.00 75.31 N ATOM 735 CA PRO A 54 33.796 45.105 -10.416 1.00 24.30 C ATOM 736 C PRO A 54 33.100 44.884 -11.755 1.00 32.01 C ATOM 737 O PRO A 54 32.212 45.646 -12.139 1.00 34.20 O ATOM 738 CB PRO A 54 34.773 46.279 -10.509 1.00 25.30 C ATOM 739 CG PRO A 54 36.092 45.652 -10.805 1.00 73.11 C ATOM 740 CD PRO A 54 36.085 44.323 -10.104 1.00 72.55 C ATOM 0 HA PRO A 54 32.989 45.259 -9.699 1.00 24.30 H new ATOM 0 HB2 PRO A 54 34.481 46.976 -11.295 1.00 25.30 H new ATOM 0 HB3 PRO A 54 34.803 46.844 -9.577 1.00 25.30 H new ATOM 0 HG2 PRO A 54 36.232 45.526 -11.879 1.00 73.11 H new ATOM 0 HG3 PRO A 54 36.910 46.277 -10.448 1.00 73.11 H new ATOM 0 HD2 PRO A 54 36.654 43.575 -10.656 1.00 72.55 H new ATOM 0 HD3 PRO A 54 36.527 44.391 -9.110 1.00 72.55 H new ATOM 748 N THR A 55 33.507 43.834 -12.462 1.00 44.53 N ATOM 749 CA THR A 55 32.924 43.512 -13.757 1.00 13.24 C ATOM 750 C THR A 55 31.715 42.598 -13.604 1.00 73.31 C ATOM 751 O THR A 55 31.056 42.252 -14.585 1.00 31.01 O ATOM 752 CB THR A 55 33.951 42.835 -14.684 1.00 71.14 C ATOM 753 OG1 THR A 55 34.057 41.444 -14.365 1.00 45.23 O ATOM 754 CG2 THR A 55 35.315 43.496 -14.555 1.00 42.42 C ATOM 0 H THR A 55 34.239 43.192 -12.158 1.00 44.53 H new ATOM 0 HA THR A 55 32.609 44.455 -14.204 1.00 13.24 H new ATOM 0 HB THR A 55 33.607 42.946 -15.712 1.00 71.14 H new ATOM 0 HG1 THR A 55 33.901 41.315 -13.406 1.00 45.23 H new ATOM 0 HG21 THR A 55 36.024 43.001 -15.219 1.00 42.42 H new ATOM 0 HG22 THR A 55 35.237 44.548 -14.828 1.00 42.42 H new ATOM 0 HG23 THR A 55 35.664 43.413 -13.526 1.00 42.42 H new ATOM 762 N VAL A 56 31.426 42.209 -12.367 1.00 74.41 N ATOM 763 CA VAL A 56 30.293 41.336 -12.084 1.00 53.43 C ATOM 764 C VAL A 56 28.979 41.987 -12.503 1.00 41.25 C ATOM 765 O VAL A 56 28.047 41.306 -12.932 1.00 44.34 O ATOM 766 CB VAL A 56 30.221 40.974 -10.589 1.00 42.13 C ATOM 767 CG1 VAL A 56 31.441 40.165 -10.175 1.00 74.12 C ATOM 768 CG2 VAL A 56 30.096 42.233 -9.743 1.00 11.20 C ATOM 0 H VAL A 56 31.961 42.485 -11.544 1.00 74.41 H new ATOM 0 HA VAL A 56 30.444 40.425 -12.663 1.00 53.43 H new ATOM 0 HB VAL A 56 29.335 40.361 -10.424 1.00 42.13 H new ATOM 0 HG11 VAL A 56 31.372 39.919 -9.115 1.00 74.12 H new ATOM 0 HG12 VAL A 56 31.483 39.246 -10.759 1.00 74.12 H new ATOM 0 HG13 VAL A 56 32.343 40.750 -10.353 1.00 74.12 H new ATOM 0 HG21 VAL A 56 30.046 41.960 -8.689 1.00 11.20 H new ATOM 0 HG22 VAL A 56 30.963 42.872 -9.912 1.00 11.20 H new ATOM 0 HG23 VAL A 56 29.189 42.770 -10.022 1.00 11.20 H new ATOM 778 N TYR A 57 28.913 43.306 -12.374 1.00 11.34 N ATOM 779 CA TYR A 57 27.712 44.049 -12.738 1.00 42.41 C ATOM 780 C TYR A 57 27.248 43.682 -14.144 1.00 23.23 C ATOM 781 O TYR A 57 26.056 43.726 -14.449 1.00 62.11 O ATOM 782 CB TYR A 57 27.974 45.555 -12.652 1.00 75.35 C ATOM 783 CG TYR A 57 28.754 46.102 -13.826 1.00 64.54 C ATOM 784 CD1 TYR A 57 30.037 45.647 -14.104 1.00 0.13 C ATOM 785 CD2 TYR A 57 28.207 47.073 -14.655 1.00 41.13 C ATOM 786 CE1 TYR A 57 30.754 46.145 -15.175 1.00 55.33 C ATOM 787 CE2 TYR A 57 28.918 47.576 -15.729 1.00 63.53 C ATOM 788 CZ TYR A 57 30.189 47.109 -15.983 1.00 53.21 C ATOM 789 OH TYR A 57 30.900 47.607 -17.051 1.00 53.42 O ATOM 0 H TYR A 57 29.676 43.883 -12.020 1.00 11.34 H new ATOM 0 HA TYR A 57 26.923 43.782 -12.034 1.00 42.41 H new ATOM 0 HB2 TYR A 57 27.020 46.078 -12.585 1.00 75.35 H new ATOM 0 HB3 TYR A 57 28.520 45.768 -11.733 1.00 75.35 H new ATOM 0 HD1 TYR A 57 30.481 44.892 -13.473 1.00 0.13 H new ATOM 0 HD2 TYR A 57 27.211 47.441 -14.458 1.00 41.13 H new ATOM 0 HE1 TYR A 57 31.751 45.782 -15.378 1.00 55.33 H new ATOM 0 HE2 TYR A 57 28.479 48.331 -16.365 1.00 63.53 H new ATOM 0 HH TYR A 57 30.360 48.277 -17.519 1.00 53.42 H new ATOM 799 N VAL A 58 28.199 43.320 -14.998 1.00 13.22 N ATOM 800 CA VAL A 58 27.891 42.942 -16.373 1.00 41.20 C ATOM 801 C VAL A 58 27.407 41.499 -16.450 1.00 11.54 C ATOM 802 O VAL A 58 26.552 41.164 -17.270 1.00 52.31 O ATOM 803 CB VAL A 58 29.116 43.112 -17.290 1.00 31.02 C ATOM 804 CG1 VAL A 58 28.941 42.308 -18.569 1.00 32.24 C ATOM 805 CG2 VAL A 58 29.348 44.583 -17.602 1.00 31.43 C ATOM 0 H VAL A 58 29.191 43.280 -14.762 1.00 13.22 H new ATOM 0 HA VAL A 58 27.097 43.607 -16.714 1.00 41.20 H new ATOM 0 HB VAL A 58 29.994 42.732 -16.768 1.00 31.02 H new ATOM 0 HG11 VAL A 58 29.816 42.440 -19.205 1.00 32.24 H new ATOM 0 HG12 VAL A 58 28.828 41.252 -18.323 1.00 32.24 H new ATOM 0 HG13 VAL A 58 28.053 42.654 -19.098 1.00 32.24 H new ATOM 0 HG21 VAL A 58 30.218 44.684 -18.251 1.00 31.43 H new ATOM 0 HG22 VAL A 58 28.471 44.991 -18.104 1.00 31.43 H new ATOM 0 HG23 VAL A 58 29.522 45.129 -16.675 1.00 31.43 H new ATOM 815 N TYR A 59 27.959 40.649 -15.592 1.00 4.42 N ATOM 816 CA TYR A 59 27.586 39.240 -15.563 1.00 15.24 C ATOM 817 C TYR A 59 26.068 39.078 -15.580 1.00 63.04 C ATOM 818 O TYR A 59 25.540 38.133 -16.164 1.00 10.12 O ATOM 819 CB TYR A 59 28.170 38.560 -14.325 1.00 30.31 C ATOM 820 CG TYR A 59 27.766 37.110 -14.183 1.00 74.21 C ATOM 821 CD1 TYR A 59 27.750 36.262 -15.285 1.00 63.22 C ATOM 822 CD2 TYR A 59 27.402 36.586 -12.950 1.00 61.44 C ATOM 823 CE1 TYR A 59 27.381 34.936 -15.161 1.00 14.33 C ATOM 824 CE2 TYR A 59 27.033 35.261 -12.816 1.00 23.00 C ATOM 825 CZ TYR A 59 27.024 34.442 -13.924 1.00 53.44 C ATOM 826 OH TYR A 59 26.657 33.121 -13.795 1.00 32.34 O ATOM 0 H TYR A 59 28.667 40.911 -14.906 1.00 4.42 H new ATOM 0 HA TYR A 59 27.994 38.764 -16.455 1.00 15.24 H new ATOM 0 HB2 TYR A 59 29.257 38.623 -14.365 1.00 30.31 H new ATOM 0 HB3 TYR A 59 27.852 39.106 -13.437 1.00 30.31 H new ATOM 0 HD1 TYR A 59 28.031 36.646 -16.254 1.00 63.22 H new ATOM 0 HD2 TYR A 59 27.407 37.225 -12.080 1.00 61.44 H new ATOM 0 HE1 TYR A 59 27.372 34.291 -16.027 1.00 14.33 H new ATOM 0 HE2 TYR A 59 26.753 34.870 -11.849 1.00 23.00 H new ATOM 0 HH TYR A 59 26.436 32.933 -12.859 1.00 32.34 H new ATOM 836 N SER A 60 25.374 40.009 -14.933 1.00 51.23 N ATOM 837 CA SER A 60 23.918 39.970 -14.868 1.00 73.31 C ATOM 838 C SER A 60 23.301 40.706 -16.056 1.00 45.33 C ATOM 839 O SER A 60 22.267 40.297 -16.584 1.00 42.42 O ATOM 840 CB SER A 60 23.427 40.589 -13.559 1.00 33.02 C ATOM 841 OG SER A 60 23.737 41.970 -13.500 1.00 32.30 O ATOM 0 H SER A 60 25.797 40.799 -14.446 1.00 51.23 H new ATOM 0 HA SER A 60 23.605 38.927 -14.907 1.00 73.31 H new ATOM 0 HB2 SER A 60 22.349 40.451 -13.470 1.00 33.02 H new ATOM 0 HB3 SER A 60 23.886 40.074 -12.715 1.00 33.02 H new ATOM 0 HG SER A 60 23.411 42.343 -12.654 1.00 32.30 H new ATOM 847 N ARG A 61 23.945 41.793 -16.467 1.00 62.41 N ATOM 848 CA ARG A 61 23.461 42.588 -17.589 1.00 61.54 C ATOM 849 C ARG A 61 23.511 41.786 -18.885 1.00 15.20 C ATOM 850 O ARG A 61 22.770 42.062 -19.828 1.00 34.11 O ATOM 851 CB ARG A 61 24.290 43.865 -17.733 1.00 22.34 C ATOM 852 CG ARG A 61 25.412 43.750 -18.751 1.00 42.25 C ATOM 853 CD ARG A 61 24.926 44.070 -20.156 1.00 60.10 C ATOM 854 NE ARG A 61 25.537 45.288 -20.684 1.00 63.33 N ATOM 855 CZ ARG A 61 24.957 46.068 -21.588 1.00 0.52 C ATOM 856 NH1 ARG A 61 23.759 45.761 -22.064 1.00 72.23 N ATOM 857 NH2 ARG A 61 25.577 47.159 -22.020 1.00 62.44 N ATOM 0 H ARG A 61 24.803 42.143 -16.040 1.00 62.41 H new ATOM 0 HA ARG A 61 22.424 42.858 -17.390 1.00 61.54 H new ATOM 0 HB2 ARG A 61 23.632 44.685 -18.021 1.00 22.34 H new ATOM 0 HB3 ARG A 61 24.715 44.123 -16.763 1.00 22.34 H new ATOM 0 HG2 ARG A 61 26.220 44.430 -18.481 1.00 42.25 H new ATOM 0 HG3 ARG A 61 25.823 42.741 -18.728 1.00 42.25 H new ATOM 0 HD2 ARG A 61 25.154 43.234 -20.817 1.00 60.10 H new ATOM 0 HD3 ARG A 61 23.842 44.183 -20.147 1.00 60.10 H new ATOM 0 HE ARG A 61 26.460 45.553 -20.339 1.00 63.33 H new ATOM 0 HH11 ARG A 61 23.279 44.923 -21.736 1.00 72.23 H new ATOM 0 HH12 ARG A 61 23.317 46.363 -22.759 1.00 72.23 H new ATOM 0 HH21 ARG A 61 26.500 47.399 -21.657 1.00 62.44 H new ATOM 0 HH22 ARG A 61 25.131 47.758 -22.715 1.00 62.44 H new ATOM 871 N VAL A 62 24.394 40.792 -18.927 1.00 25.53 N ATOM 872 CA VAL A 62 24.543 39.949 -20.107 1.00 33.31 C ATOM 873 C VAL A 62 23.686 38.693 -19.996 1.00 72.21 C ATOM 874 O VAL A 62 23.265 38.123 -21.003 1.00 15.34 O ATOM 875 CB VAL A 62 26.011 39.539 -20.321 1.00 35.00 C ATOM 876 CG1 VAL A 62 26.847 40.742 -20.733 1.00 43.22 C ATOM 877 CG2 VAL A 62 26.573 38.894 -19.065 1.00 41.31 C ATOM 0 H VAL A 62 25.017 40.551 -18.156 1.00 25.53 H new ATOM 0 HA VAL A 62 24.210 40.538 -20.962 1.00 33.31 H new ATOM 0 HB VAL A 62 26.051 38.806 -21.127 1.00 35.00 H new ATOM 0 HG11 VAL A 62 27.882 40.433 -20.880 1.00 43.22 H new ATOM 0 HG12 VAL A 62 26.456 41.155 -21.663 1.00 43.22 H new ATOM 0 HG13 VAL A 62 26.802 41.501 -19.952 1.00 43.22 H new ATOM 0 HG21 VAL A 62 27.612 38.611 -19.235 1.00 41.31 H new ATOM 0 HG22 VAL A 62 26.521 39.602 -18.238 1.00 41.31 H new ATOM 0 HG23 VAL A 62 25.990 38.006 -18.820 1.00 41.31 H new ATOM 887 N LYS A 63 23.431 38.264 -18.765 1.00 23.25 N ATOM 888 CA LYS A 63 22.622 37.075 -18.520 1.00 21.24 C ATOM 889 C LYS A 63 21.143 37.366 -18.753 1.00 52.13 C ATOM 890 O LYS A 63 20.453 36.608 -19.434 1.00 34.33 O ATOM 891 CB LYS A 63 22.835 36.575 -17.089 1.00 71.14 C ATOM 892 CG LYS A 63 22.103 35.279 -16.783 1.00 24.21 C ATOM 893 CD LYS A 63 21.942 35.070 -15.288 1.00 64.42 C ATOM 894 CE LYS A 63 20.675 35.732 -14.766 1.00 44.21 C ATOM 895 NZ LYS A 63 20.160 35.054 -13.544 1.00 42.30 N ATOM 0 H LYS A 63 23.773 38.722 -17.920 1.00 23.25 H new ATOM 0 HA LYS A 63 22.937 36.301 -19.220 1.00 21.24 H new ATOM 0 HB2 LYS A 63 23.902 36.429 -16.919 1.00 71.14 H new ATOM 0 HB3 LYS A 63 22.503 37.344 -16.391 1.00 71.14 H new ATOM 0 HG2 LYS A 63 21.122 35.294 -17.257 1.00 24.21 H new ATOM 0 HG3 LYS A 63 22.652 34.440 -17.212 1.00 24.21 H new ATOM 0 HD2 LYS A 63 21.912 34.002 -15.070 1.00 64.42 H new ATOM 0 HD3 LYS A 63 22.808 35.478 -14.767 1.00 64.42 H new ATOM 0 HE2 LYS A 63 20.878 36.779 -14.542 1.00 44.21 H new ATOM 0 HE3 LYS A 63 19.909 35.714 -15.542 1.00 44.21 H new ATOM 0 HZ1 LYS A 63 19.296 35.534 -13.219 1.00 42.30 H new ATOM 0 HZ2 LYS A 63 19.943 34.061 -13.763 1.00 42.30 H new ATOM 0 HZ3 LYS A 63 20.881 35.093 -12.795 1.00 42.30 H new ATOM 909 N ASN A 64 20.664 38.467 -18.187 1.00 45.34 N ATOM 910 CA ASN A 64 19.266 38.857 -18.334 1.00 62.52 C ATOM 911 C ASN A 64 18.986 39.351 -19.750 1.00 43.43 C ATOM 912 O ASN A 64 17.837 39.382 -20.192 1.00 12.23 O ATOM 913 CB ASN A 64 18.909 39.948 -17.321 1.00 72.12 C ATOM 914 CG ASN A 64 19.422 39.633 -15.928 1.00 34.03 C ATOM 915 OD1 ASN A 64 20.025 40.482 -15.271 1.00 31.20 O ATOM 916 ND2 ASN A 64 19.185 38.409 -15.473 1.00 32.22 N ATOM 0 H ASN A 64 21.223 39.106 -17.622 1.00 45.34 H new ATOM 0 HA ASN A 64 18.648 37.979 -18.145 1.00 62.52 H new ATOM 0 HB2 ASN A 64 19.326 40.899 -17.653 1.00 72.12 H new ATOM 0 HB3 ASN A 64 17.826 40.069 -17.288 1.00 72.12 H new ATOM 0 HD21 ASN A 64 19.507 38.139 -14.543 1.00 32.22 H new ATOM 0 HD22 ASN A 64 18.681 37.738 -16.053 1.00 32.22 H new ATOM 923 N LEU A 65 20.043 39.737 -20.455 1.00 54.21 N ATOM 924 CA LEU A 65 19.912 40.228 -21.823 1.00 1.41 C ATOM 925 C LEU A 65 19.093 39.263 -22.673 1.00 43.43 C ATOM 926 O LEU A 65 18.097 39.679 -23.264 1.00 73.14 O ATOM 927 CB LEU A 65 21.294 40.430 -22.448 1.00 73.13 C ATOM 928 CG LEU A 65 21.404 41.542 -23.491 1.00 21.42 C ATOM 929 CD1 LEU A 65 22.837 41.672 -23.984 1.00 72.52 C ATOM 930 CD2 LEU A 65 20.459 41.276 -24.655 1.00 61.11 C ATOM 0 H LEU A 65 21.000 39.720 -20.103 1.00 54.21 H new ATOM 0 HA LEU A 65 19.391 41.185 -21.790 1.00 1.41 H new ATOM 0 HB2 LEU A 65 22.005 40.638 -21.648 1.00 73.13 H new ATOM 0 HB3 LEU A 65 21.601 39.493 -22.912 1.00 73.13 H new ATOM 0 HG LEU A 65 21.116 42.483 -23.023 1.00 21.42 H new ATOM 0 HD11 LEU A 65 22.896 42.468 -24.726 1.00 72.52 H new ATOM 0 HD12 LEU A 65 23.490 41.909 -23.144 1.00 72.52 H new ATOM 0 HD13 LEU A 65 23.153 40.732 -24.436 1.00 72.52 H new ATOM 0 HD21 LEU A 65 20.550 42.077 -25.388 1.00 61.11 H new ATOM 0 HD22 LEU A 65 20.716 40.325 -25.122 1.00 61.11 H new ATOM 0 HD23 LEU A 65 19.433 41.234 -24.289 1.00 61.11 H new