USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 495 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 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -130:sc= -0.96 USER MOD Single : A 15 ASN : amide:sc= -2.38! C(o=-2.4!,f=-4.7!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 81:sc= 1.26 USER MOD Single : A 35 THR OG1 : rot 71:sc= 0.667 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0195 K(o=-0.019,f=-1.4) USER MOD Single : A 48 ASN : amide:sc= -1.11 K(o=-1.1,f=-3!) USER MOD Single : A 50 SER OG : rot 101:sc= 1.2 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -31:sc= 0.171 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= -1.35 X(o=-1.4,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 41.304 -0.537 -30.460 1.00 21.22 N ATOM 2 CA GLU A 8 39.930 -0.716 -30.005 1.00 73.54 C ATOM 3 C GLU A 8 38.975 -0.835 -31.189 1.00 52.43 C ATOM 4 O GLU A 8 39.369 -0.645 -32.340 1.00 45.33 O ATOM 5 CB GLU A 8 39.511 0.453 -29.111 1.00 1.21 C ATOM 6 CG GLU A 8 40.243 0.496 -27.781 1.00 70.03 C ATOM 7 CD GLU A 8 39.455 -0.152 -26.659 1.00 74.43 C ATOM 8 OE1 GLU A 8 38.828 -1.203 -26.906 1.00 21.22 O ATOM 9 OE2 GLU A 8 39.465 0.393 -25.535 1.00 22.34 O ATOM 0 HA GLU A 8 39.882 -1.640 -29.429 1.00 73.54 H new ATOM 0 HB2 GLU A 8 39.687 1.388 -29.643 1.00 1.21 H new ATOM 0 HB3 GLU A 8 38.439 0.390 -28.924 1.00 1.21 H new ATOM 0 HG2 GLU A 8 41.204 -0.008 -27.883 1.00 70.03 H new ATOM 0 HG3 GLU A 8 40.453 1.533 -27.520 1.00 70.03 H new ATOM 16 N THR A 9 37.717 -1.150 -30.897 1.00 53.13 N ATOM 17 CA THR A 9 36.705 -1.297 -31.935 1.00 14.31 C ATOM 18 C THR A 9 35.757 -0.102 -31.950 1.00 23.32 C ATOM 19 O THR A 9 34.593 -0.227 -32.329 1.00 52.11 O ATOM 20 CB THR A 9 35.886 -2.586 -31.744 1.00 44.54 C ATOM 21 OG1 THR A 9 36.717 -3.619 -31.203 1.00 51.35 O ATOM 22 CG2 THR A 9 35.289 -3.049 -33.065 1.00 52.45 C ATOM 0 H THR A 9 37.375 -1.308 -29.949 1.00 53.13 H new ATOM 0 HA THR A 9 37.234 -1.351 -32.887 1.00 14.31 H new ATOM 0 HB THR A 9 35.073 -2.374 -31.050 1.00 44.54 H new ATOM 0 HG1 THR A 9 36.188 -4.435 -31.083 1.00 51.35 H new ATOM 0 HG21 THR A 9 34.715 -3.961 -32.905 1.00 52.45 H new ATOM 0 HG22 THR A 9 34.634 -2.273 -33.460 1.00 52.45 H new ATOM 0 HG23 THR A 9 36.090 -3.245 -33.778 1.00 52.45 H new ATOM 30 N GLY A 10 36.263 1.056 -31.536 1.00 25.34 N ATOM 31 CA GLY A 10 35.446 2.255 -31.511 1.00 34.41 C ATOM 32 C GLY A 10 35.326 2.845 -30.121 1.00 63.12 C ATOM 33 O GLY A 10 34.367 3.557 -29.820 1.00 51.21 O ATOM 0 H GLY A 10 37.223 1.185 -31.218 1.00 25.34 H new ATOM 0 HA2 GLY A 10 35.876 2.998 -32.182 1.00 34.41 H new ATOM 0 HA3 GLY A 10 34.451 2.021 -31.890 1.00 34.41 H new ATOM 37 N THR A 11 36.301 2.548 -29.267 1.00 73.54 N ATOM 38 CA THR A 11 36.299 3.051 -27.899 1.00 13.41 C ATOM 39 C THR A 11 36.772 4.500 -27.845 1.00 0.54 C ATOM 40 O THR A 11 37.974 4.772 -27.831 1.00 44.34 O ATOM 41 CB THR A 11 37.196 2.197 -26.984 1.00 34.45 C ATOM 42 OG1 THR A 11 36.840 0.815 -27.101 1.00 21.54 O ATOM 43 CG2 THR A 11 37.067 2.638 -25.534 1.00 70.52 C ATOM 0 H THR A 11 37.102 1.961 -29.499 1.00 73.54 H new ATOM 0 HA THR A 11 35.270 2.993 -27.543 1.00 13.41 H new ATOM 0 HB THR A 11 38.231 2.333 -27.297 1.00 34.45 H new ATOM 0 HG1 THR A 11 36.716 0.432 -26.207 1.00 21.54 H new ATOM 0 HG21 THR A 11 37.710 2.020 -24.907 1.00 70.52 H new ATOM 0 HG22 THR A 11 37.367 3.682 -25.443 1.00 70.52 H new ATOM 0 HG23 THR A 11 36.032 2.528 -25.211 1.00 70.52 H new ATOM 51 N LEU A 12 35.821 5.427 -27.817 1.00 62.31 N ATOM 52 CA LEU A 12 36.141 6.849 -27.764 1.00 3.34 C ATOM 53 C LEU A 12 36.075 7.370 -26.332 1.00 42.33 C ATOM 54 O LEU A 12 36.194 8.571 -26.092 1.00 72.03 O ATOM 55 CB LEU A 12 35.178 7.642 -28.651 1.00 42.14 C ATOM 56 CG LEU A 12 33.707 7.617 -28.233 1.00 13.24 C ATOM 57 CD1 LEU A 12 33.407 8.755 -27.269 1.00 62.51 C ATOM 58 CD2 LEU A 12 32.805 7.701 -29.456 1.00 51.41 C ATOM 0 H LEU A 12 34.822 5.220 -27.830 1.00 62.31 H new ATOM 0 HA LEU A 12 37.158 6.981 -28.133 1.00 3.34 H new ATOM 0 HB2 LEU A 12 35.510 8.680 -28.677 1.00 42.14 H new ATOM 0 HB3 LEU A 12 35.253 7.258 -29.668 1.00 42.14 H new ATOM 0 HG LEU A 12 33.509 6.674 -27.723 1.00 13.24 H new ATOM 0 HD11 LEU A 12 32.356 8.721 -26.982 1.00 62.51 H new ATOM 0 HD12 LEU A 12 34.029 8.652 -26.380 1.00 62.51 H new ATOM 0 HD13 LEU A 12 33.621 9.708 -27.753 1.00 62.51 H new ATOM 0 HD21 LEU A 12 31.762 7.682 -29.141 1.00 51.41 H new ATOM 0 HD22 LEU A 12 33.005 8.628 -29.993 1.00 51.41 H new ATOM 0 HD23 LEU A 12 33.001 6.853 -30.112 1.00 51.41 H new ATOM 70 N ILE A 13 35.887 6.457 -25.384 1.00 71.10 N ATOM 71 CA ILE A 13 35.810 6.823 -23.976 1.00 42.54 C ATOM 72 C ILE A 13 37.188 6.803 -23.325 1.00 32.53 C ATOM 73 O ILE A 13 37.476 7.596 -22.429 1.00 65.52 O ATOM 74 CB ILE A 13 34.873 5.879 -23.199 1.00 51.44 C ATOM 75 CG1 ILE A 13 34.845 6.259 -21.717 1.00 52.41 C ATOM 76 CG2 ILE A 13 35.317 4.434 -23.373 1.00 43.34 C ATOM 77 CD1 ILE A 13 34.371 7.673 -21.464 1.00 23.33 C ATOM 0 H ILE A 13 35.785 5.459 -25.566 1.00 71.10 H new ATOM 0 HA ILE A 13 35.408 7.835 -23.936 1.00 42.54 H new ATOM 0 HB ILE A 13 33.864 5.980 -23.599 1.00 51.44 H new ATOM 0 HG12 ILE A 13 34.194 5.566 -21.185 1.00 52.41 H new ATOM 0 HG13 ILE A 13 35.845 6.140 -21.301 1.00 52.41 H new ATOM 0 HG21 ILE A 13 34.646 3.778 -22.819 1.00 43.34 H new ATOM 0 HG22 ILE A 13 35.291 4.170 -24.430 1.00 43.34 H new ATOM 0 HG23 ILE A 13 36.333 4.317 -22.995 1.00 43.34 H new ATOM 0 HD11 ILE A 13 34.377 7.872 -20.392 1.00 23.33 H new ATOM 0 HD12 ILE A 13 35.036 8.375 -21.967 1.00 23.33 H new ATOM 0 HD13 ILE A 13 33.358 7.792 -21.850 1.00 23.33 H new ATOM 89 N VAL A 14 38.039 5.891 -23.785 1.00 21.30 N ATOM 90 CA VAL A 14 39.390 5.767 -23.251 1.00 52.34 C ATOM 91 C VAL A 14 40.282 6.902 -23.744 1.00 3.50 C ATOM 92 O VAL A 14 41.175 7.358 -23.031 1.00 62.33 O ATOM 93 CB VAL A 14 40.028 4.421 -23.642 1.00 55.32 C ATOM 94 CG1 VAL A 14 40.101 4.284 -25.154 1.00 20.31 C ATOM 95 CG2 VAL A 14 41.409 4.285 -23.018 1.00 74.10 C ATOM 0 H VAL A 14 37.816 5.227 -24.527 1.00 21.30 H new ATOM 0 HA VAL A 14 39.307 5.819 -22.165 1.00 52.34 H new ATOM 0 HB VAL A 14 39.401 3.616 -23.259 1.00 55.32 H new ATOM 0 HG11 VAL A 14 40.555 3.327 -25.411 1.00 20.31 H new ATOM 0 HG12 VAL A 14 39.096 4.333 -25.573 1.00 20.31 H new ATOM 0 HG13 VAL A 14 40.705 5.093 -25.564 1.00 20.31 H new ATOM 0 HG21 VAL A 14 41.845 3.328 -23.305 1.00 74.10 H new ATOM 0 HG22 VAL A 14 42.048 5.095 -23.369 1.00 74.10 H new ATOM 0 HG23 VAL A 14 41.324 4.334 -21.932 1.00 74.10 H new ATOM 105 N ASN A 15 40.032 7.354 -24.968 1.00 32.22 N ATOM 106 CA ASN A 15 40.812 8.436 -25.558 1.00 53.42 C ATOM 107 C ASN A 15 40.260 9.795 -25.139 1.00 23.05 C ATOM 108 O ASN A 15 40.976 10.796 -25.145 1.00 51.41 O ATOM 109 CB ASN A 15 40.813 8.321 -27.083 1.00 24.22 C ATOM 110 CG ASN A 15 41.472 7.043 -27.566 1.00 45.10 C ATOM 111 OD1 ASN A 15 40.931 5.949 -27.396 1.00 42.43 O ATOM 112 ND2 ASN A 15 42.645 7.175 -28.173 1.00 61.02 N ATOM 0 H ASN A 15 39.295 6.988 -25.571 1.00 32.22 H new ATOM 0 HA ASN A 15 41.836 8.352 -25.195 1.00 53.42 H new ATOM 0 HB2 ASN A 15 39.787 8.358 -27.448 1.00 24.22 H new ATOM 0 HB3 ASN A 15 41.334 9.179 -27.509 1.00 24.22 H new ATOM 0 HD21 ASN A 15 43.135 6.351 -28.520 1.00 61.02 H new ATOM 0 HD22 ASN A 15 43.056 8.101 -28.292 1.00 61.02 H new ATOM 119 N SER A 16 38.981 9.822 -24.777 1.00 54.21 N ATOM 120 CA SER A 16 38.331 11.059 -24.359 1.00 72.01 C ATOM 121 C SER A 16 38.548 11.309 -22.869 1.00 11.23 C ATOM 122 O SER A 16 38.781 12.442 -22.447 1.00 43.11 O ATOM 123 CB SER A 16 36.834 11.001 -24.665 1.00 42.20 C ATOM 124 OG SER A 16 36.137 12.038 -23.997 1.00 44.23 O ATOM 0 H SER A 16 38.375 9.002 -24.765 1.00 54.21 H new ATOM 0 HA SER A 16 38.777 11.882 -24.917 1.00 72.01 H new ATOM 0 HB2 SER A 16 36.676 11.086 -25.740 1.00 42.20 H new ATOM 0 HB3 SER A 16 36.434 10.034 -24.359 1.00 42.20 H new ATOM 0 HG SER A 16 35.182 11.980 -24.210 1.00 44.23 H new ATOM 130 N VAL A 17 38.470 10.244 -22.078 1.00 2.44 N ATOM 131 CA VAL A 17 38.657 10.346 -20.636 1.00 12.53 C ATOM 132 C VAL A 17 40.104 10.680 -20.294 1.00 54.13 C ATOM 133 O VAL A 17 40.379 11.362 -19.306 1.00 54.42 O ATOM 134 CB VAL A 17 38.261 9.040 -19.924 1.00 1.42 C ATOM 135 CG1 VAL A 17 39.266 7.940 -20.226 1.00 34.54 C ATOM 136 CG2 VAL A 17 38.140 9.266 -18.425 1.00 1.21 C ATOM 0 H VAL A 17 38.278 9.300 -22.412 1.00 2.44 H new ATOM 0 HA VAL A 17 38.008 11.150 -20.288 1.00 12.53 H new ATOM 0 HB VAL A 17 37.288 8.723 -20.300 1.00 1.42 H new ATOM 0 HG11 VAL A 17 38.969 7.025 -19.714 1.00 34.54 H new ATOM 0 HG12 VAL A 17 39.297 7.761 -21.301 1.00 34.54 H new ATOM 0 HG13 VAL A 17 40.254 8.245 -19.880 1.00 34.54 H new ATOM 0 HG21 VAL A 17 37.859 8.332 -17.938 1.00 1.21 H new ATOM 0 HG22 VAL A 17 39.097 9.608 -18.030 1.00 1.21 H new ATOM 0 HG23 VAL A 17 37.377 10.020 -18.231 1.00 1.21 H new ATOM 146 N LEU A 18 41.028 10.196 -21.116 1.00 60.34 N ATOM 147 CA LEU A 18 42.450 10.443 -20.901 1.00 35.22 C ATOM 148 C LEU A 18 42.833 11.848 -21.352 1.00 2.12 C ATOM 149 O LEU A 18 43.563 12.557 -20.659 1.00 73.21 O ATOM 150 CB LEU A 18 43.288 9.407 -21.653 1.00 43.01 C ATOM 151 CG LEU A 18 44.650 9.075 -21.043 1.00 25.24 C ATOM 152 CD1 LEU A 18 45.532 10.312 -21.003 1.00 72.30 C ATOM 153 CD2 LEU A 18 44.481 8.491 -19.648 1.00 0.04 C ATOM 0 H LEU A 18 40.818 9.630 -21.938 1.00 60.34 H new ATOM 0 HA LEU A 18 42.651 10.357 -19.833 1.00 35.22 H new ATOM 0 HB2 LEU A 18 42.710 8.485 -21.726 1.00 43.01 H new ATOM 0 HB3 LEU A 18 43.445 9.766 -22.670 1.00 43.01 H new ATOM 0 HG LEU A 18 45.136 8.328 -21.671 1.00 25.24 H new ATOM 0 HD11 LEU A 18 46.497 10.057 -20.566 1.00 72.30 H new ATOM 0 HD12 LEU A 18 45.680 10.686 -22.016 1.00 72.30 H new ATOM 0 HD13 LEU A 18 45.052 11.082 -20.398 1.00 72.30 H new ATOM 0 HD21 LEU A 18 45.460 8.261 -19.229 1.00 0.04 H new ATOM 0 HD22 LEU A 18 43.974 9.215 -19.010 1.00 0.04 H new ATOM 0 HD23 LEU A 18 43.887 7.579 -19.705 1.00 0.04 H new ATOM 165 N LEU A 19 42.333 12.247 -22.518 1.00 72.43 N ATOM 166 CA LEU A 19 42.621 13.570 -23.061 1.00 21.50 C ATOM 167 C LEU A 19 41.940 14.657 -22.237 1.00 51.03 C ATOM 168 O LEU A 19 42.570 15.640 -21.847 1.00 52.13 O ATOM 169 CB LEU A 19 42.162 13.654 -24.517 1.00 12.24 C ATOM 170 CG LEU A 19 42.610 14.895 -25.291 1.00 2.12 C ATOM 171 CD1 LEU A 19 44.042 14.733 -25.776 1.00 74.22 C ATOM 172 CD2 LEU A 19 41.676 15.159 -26.463 1.00 45.22 C ATOM 0 H LEU A 19 41.727 11.673 -23.104 1.00 72.43 H new ATOM 0 HA LEU A 19 43.698 13.729 -23.016 1.00 21.50 H new ATOM 0 HB2 LEU A 19 42.525 12.771 -25.043 1.00 12.24 H new ATOM 0 HB3 LEU A 19 41.073 13.611 -24.537 1.00 12.24 H new ATOM 0 HG LEU A 19 42.570 15.752 -24.619 1.00 2.12 H new ATOM 0 HD11 LEU A 19 44.344 15.625 -26.324 1.00 74.22 H new ATOM 0 HD12 LEU A 19 44.702 14.593 -24.920 1.00 74.22 H new ATOM 0 HD13 LEU A 19 44.108 13.865 -26.431 1.00 74.22 H new ATOM 0 HD21 LEU A 19 42.010 16.046 -27.002 1.00 45.22 H new ATOM 0 HD22 LEU A 19 41.684 14.301 -27.135 1.00 45.22 H new ATOM 0 HD23 LEU A 19 40.664 15.320 -26.092 1.00 45.22 H new ATOM 184 N PHE A 20 40.652 14.472 -21.973 1.00 3.30 N ATOM 185 CA PHE A 20 39.885 15.437 -21.193 1.00 71.11 C ATOM 186 C PHE A 20 40.594 15.764 -19.882 1.00 34.52 C ATOM 187 O PHE A 20 40.592 16.910 -19.431 1.00 53.41 O ATOM 188 CB PHE A 20 38.483 14.894 -20.905 1.00 30.30 C ATOM 189 CG PHE A 20 37.546 15.923 -20.342 1.00 32.04 C ATOM 190 CD1 PHE A 20 37.638 16.312 -19.015 1.00 1.43 C ATOM 191 CD2 PHE A 20 36.572 16.502 -21.140 1.00 53.32 C ATOM 192 CE1 PHE A 20 36.776 17.259 -18.495 1.00 41.34 C ATOM 193 CE2 PHE A 20 35.708 17.450 -20.625 1.00 73.30 C ATOM 194 CZ PHE A 20 35.809 17.828 -19.300 1.00 20.11 C ATOM 0 H PHE A 20 40.116 13.663 -22.287 1.00 3.30 H new ATOM 0 HA PHE A 20 39.800 16.353 -21.778 1.00 71.11 H new ATOM 0 HB2 PHE A 20 38.060 14.495 -21.827 1.00 30.30 H new ATOM 0 HB3 PHE A 20 38.561 14.063 -20.204 1.00 30.30 H new ATOM 0 HD1 PHE A 20 38.392 15.870 -18.380 1.00 1.43 H new ATOM 0 HD2 PHE A 20 36.487 16.209 -22.176 1.00 53.32 H new ATOM 0 HE1 PHE A 20 36.859 17.554 -17.459 1.00 41.34 H new ATOM 0 HE2 PHE A 20 34.954 17.895 -21.258 1.00 73.30 H new ATOM 0 HZ PHE A 20 35.133 18.567 -18.895 1.00 20.11 H new ATOM 204 N LEU A 21 41.202 14.750 -19.277 1.00 10.21 N ATOM 205 CA LEU A 21 41.917 14.928 -18.017 1.00 11.12 C ATOM 206 C LEU A 21 43.090 15.889 -18.187 1.00 5.31 C ATOM 207 O LEU A 21 43.177 16.905 -17.498 1.00 63.41 O ATOM 208 CB LEU A 21 42.419 13.580 -17.498 1.00 41.13 C ATOM 209 CG LEU A 21 41.633 12.973 -16.335 1.00 12.41 C ATOM 210 CD1 LEU A 21 41.849 13.782 -15.066 1.00 53.25 C ATOM 211 CD2 LEU A 21 40.151 12.896 -16.675 1.00 14.10 C ATOM 0 H LEU A 21 41.215 13.796 -19.638 1.00 10.21 H new ATOM 0 HA LEU A 21 41.224 15.355 -17.292 1.00 11.12 H new ATOM 0 HB2 LEU A 21 42.412 12.870 -18.325 1.00 41.13 H new ATOM 0 HB3 LEU A 21 43.457 13.697 -17.187 1.00 41.13 H new ATOM 0 HG LEU A 21 41.999 11.961 -16.163 1.00 12.41 H new ATOM 0 HD11 LEU A 21 41.282 13.336 -14.249 1.00 53.25 H new ATOM 0 HD12 LEU A 21 42.909 13.785 -14.813 1.00 53.25 H new ATOM 0 HD13 LEU A 21 41.511 14.806 -15.225 1.00 53.25 H new ATOM 0 HD21 LEU A 21 39.607 12.462 -15.836 1.00 14.10 H new ATOM 0 HD22 LEU A 21 39.771 13.898 -16.874 1.00 14.10 H new ATOM 0 HD23 LEU A 21 40.012 12.273 -17.559 1.00 14.10 H new ATOM 223 N ALA A 22 43.986 15.561 -19.112 1.00 75.12 N ATOM 224 CA ALA A 22 45.151 16.397 -19.375 1.00 10.02 C ATOM 225 C ALA A 22 44.738 17.753 -19.938 1.00 1.45 C ATOM 226 O ALA A 22 45.498 18.720 -19.879 1.00 72.35 O ATOM 227 CB ALA A 22 46.100 15.693 -20.334 1.00 43.12 C ATOM 0 H ALA A 22 43.928 14.723 -19.691 1.00 75.12 H new ATOM 0 HA ALA A 22 45.666 16.567 -18.430 1.00 10.02 H new ATOM 0 HB1 ALA A 22 46.965 16.329 -20.522 1.00 43.12 H new ATOM 0 HB2 ALA A 22 46.430 14.752 -19.894 1.00 43.12 H new ATOM 0 HB3 ALA A 22 45.586 15.494 -21.274 1.00 43.12 H new ATOM 233 N PHE A 23 43.527 17.818 -20.486 1.00 73.53 N ATOM 234 CA PHE A 23 43.014 19.055 -21.061 1.00 71.20 C ATOM 235 C PHE A 23 42.572 20.022 -19.966 1.00 63.32 C ATOM 236 O PHE A 23 42.933 21.199 -19.978 1.00 23.22 O ATOM 237 CB PHE A 23 41.842 18.758 -21.999 1.00 43.32 C ATOM 238 CG PHE A 23 41.737 19.718 -23.149 1.00 62.33 C ATOM 239 CD1 PHE A 23 42.428 19.485 -24.327 1.00 15.31 C ATOM 240 CD2 PHE A 23 40.946 20.852 -23.053 1.00 62.30 C ATOM 241 CE1 PHE A 23 42.334 20.368 -25.387 1.00 60.21 C ATOM 242 CE2 PHE A 23 40.848 21.737 -24.110 1.00 2.33 C ATOM 243 CZ PHE A 23 41.541 21.494 -25.279 1.00 72.13 C ATOM 0 H PHE A 23 42.884 17.028 -20.543 1.00 73.53 H new ATOM 0 HA PHE A 23 43.817 19.522 -21.631 1.00 71.20 H new ATOM 0 HB2 PHE A 23 41.947 17.746 -22.389 1.00 43.32 H new ATOM 0 HB3 PHE A 23 40.914 18.785 -21.428 1.00 43.32 H new ATOM 0 HD1 PHE A 23 43.047 18.604 -24.418 1.00 15.31 H new ATOM 0 HD2 PHE A 23 40.400 21.046 -22.142 1.00 62.30 H new ATOM 0 HE1 PHE A 23 42.880 20.177 -26.299 1.00 60.21 H new ATOM 0 HE2 PHE A 23 40.230 22.618 -24.022 1.00 2.33 H new ATOM 0 HZ PHE A 23 41.463 22.183 -26.107 1.00 72.13 H new ATOM 253 N VAL A 24 41.787 19.515 -19.020 1.00 13.01 N ATOM 254 CA VAL A 24 41.295 20.333 -17.917 1.00 61.24 C ATOM 255 C VAL A 24 42.430 21.112 -17.262 1.00 32.11 C ATOM 256 O VAL A 24 42.401 22.342 -17.203 1.00 24.41 O ATOM 257 CB VAL A 24 40.595 19.471 -16.849 1.00 53.20 C ATOM 258 CG1 VAL A 24 40.121 20.336 -15.691 1.00 32.44 C ATOM 259 CG2 VAL A 24 39.434 18.703 -17.462 1.00 44.22 C ATOM 0 H VAL A 24 41.478 18.543 -18.995 1.00 13.01 H new ATOM 0 HA VAL A 24 40.574 21.033 -18.338 1.00 61.24 H new ATOM 0 HB VAL A 24 41.314 18.749 -16.461 1.00 53.20 H new ATOM 0 HG11 VAL A 24 39.629 19.710 -14.947 1.00 32.44 H new ATOM 0 HG12 VAL A 24 40.976 20.836 -15.237 1.00 32.44 H new ATOM 0 HG13 VAL A 24 39.417 21.083 -16.059 1.00 32.44 H new ATOM 0 HG21 VAL A 24 38.951 18.099 -16.694 1.00 44.22 H new ATOM 0 HG22 VAL A 24 38.712 19.406 -17.878 1.00 44.22 H new ATOM 0 HG23 VAL A 24 39.806 18.053 -18.254 1.00 44.22 H new ATOM 269 N VAL A 25 43.431 20.388 -16.769 1.00 70.12 N ATOM 270 CA VAL A 25 44.577 21.011 -16.119 1.00 31.14 C ATOM 271 C VAL A 25 45.155 22.130 -16.979 1.00 42.33 C ATOM 272 O VAL A 25 45.526 23.189 -16.471 1.00 71.14 O ATOM 273 CB VAL A 25 45.684 19.981 -15.825 1.00 42.33 C ATOM 274 CG1 VAL A 25 45.256 19.042 -14.707 1.00 40.21 C ATOM 275 CG2 VAL A 25 46.033 19.201 -17.083 1.00 32.03 C ATOM 0 H VAL A 25 43.471 19.370 -16.808 1.00 70.12 H new ATOM 0 HA VAL A 25 44.219 21.428 -15.177 1.00 31.14 H new ATOM 0 HB VAL A 25 46.576 20.515 -15.497 1.00 42.33 H new ATOM 0 HG11 VAL A 25 46.050 18.321 -14.513 1.00 40.21 H new ATOM 0 HG12 VAL A 25 45.060 19.618 -13.803 1.00 40.21 H new ATOM 0 HG13 VAL A 25 44.350 18.513 -15.003 1.00 40.21 H new ATOM 0 HG21 VAL A 25 46.817 18.478 -16.857 1.00 32.03 H new ATOM 0 HG22 VAL A 25 45.148 18.676 -17.443 1.00 32.03 H new ATOM 0 HG23 VAL A 25 46.385 19.889 -17.852 1.00 32.03 H new ATOM 285 N PHE A 26 45.228 21.889 -18.283 1.00 15.24 N ATOM 286 CA PHE A 26 45.761 22.876 -19.214 1.00 12.13 C ATOM 287 C PHE A 26 44.919 24.149 -19.199 1.00 2.22 C ATOM 288 O PHE A 26 45.450 25.258 -19.116 1.00 65.05 O ATOM 289 CB PHE A 26 45.809 22.299 -20.631 1.00 51.52 C ATOM 290 CG PHE A 26 47.179 21.845 -21.047 1.00 1.03 C ATOM 291 CD1 PHE A 26 48.258 22.713 -20.990 1.00 73.13 C ATOM 292 CD2 PHE A 26 47.387 20.551 -21.495 1.00 54.05 C ATOM 293 CE1 PHE A 26 49.519 22.297 -21.373 1.00 30.41 C ATOM 294 CE2 PHE A 26 48.647 20.130 -21.878 1.00 24.35 C ATOM 295 CZ PHE A 26 49.714 21.003 -21.817 1.00 14.53 C ATOM 0 H PHE A 26 44.925 21.018 -18.719 1.00 15.24 H new ATOM 0 HA PHE A 26 46.773 23.127 -18.897 1.00 12.13 H new ATOM 0 HB2 PHE A 26 45.121 21.456 -20.695 1.00 51.52 H new ATOM 0 HB3 PHE A 26 45.456 23.053 -21.334 1.00 51.52 H new ATOM 0 HD1 PHE A 26 48.112 23.725 -20.643 1.00 73.13 H new ATOM 0 HD2 PHE A 26 46.556 19.863 -21.546 1.00 54.05 H new ATOM 0 HE1 PHE A 26 50.352 22.983 -21.325 1.00 30.41 H new ATOM 0 HE2 PHE A 26 48.796 19.118 -22.225 1.00 24.35 H new ATOM 0 HZ PHE A 26 50.699 20.676 -22.116 1.00 14.53 H new ATOM 305 N LEU A 27 43.603 23.981 -19.281 1.00 73.41 N ATOM 306 CA LEU A 27 42.686 25.115 -19.278 1.00 55.21 C ATOM 307 C LEU A 27 42.691 25.815 -17.922 1.00 15.52 C ATOM 308 O LEU A 27 42.613 27.042 -17.845 1.00 2.31 O ATOM 309 CB LEU A 27 41.269 24.652 -19.619 1.00 64.51 C ATOM 310 CG LEU A 27 41.122 23.839 -20.906 1.00 3.22 C ATOM 311 CD1 LEU A 27 39.655 23.552 -21.190 1.00 1.01 C ATOM 312 CD2 LEU A 27 41.760 24.573 -22.076 1.00 2.14 C ATOM 0 H LEU A 27 43.148 23.071 -19.350 1.00 73.41 H new ATOM 0 HA LEU A 27 43.022 25.824 -20.035 1.00 55.21 H new ATOM 0 HB2 LEU A 27 40.894 24.053 -18.789 1.00 64.51 H new ATOM 0 HB3 LEU A 27 40.628 25.531 -19.693 1.00 64.51 H new ATOM 0 HG LEU A 27 41.639 22.888 -20.775 1.00 3.22 H new ATOM 0 HD11 LEU A 27 39.569 22.973 -22.109 1.00 1.01 H new ATOM 0 HD12 LEU A 27 39.228 22.985 -20.363 1.00 1.01 H new ATOM 0 HD13 LEU A 27 39.115 24.492 -21.302 1.00 1.01 H new ATOM 0 HD21 LEU A 27 41.646 23.980 -22.983 1.00 2.14 H new ATOM 0 HD22 LEU A 27 41.272 25.538 -22.210 1.00 2.14 H new ATOM 0 HD23 LEU A 27 42.820 24.727 -21.874 1.00 2.14 H new ATOM 324 N LEU A 28 42.786 25.029 -16.856 1.00 22.03 N ATOM 325 CA LEU A 28 42.804 25.573 -15.504 1.00 42.45 C ATOM 326 C LEU A 28 43.760 26.759 -15.405 1.00 63.43 C ATOM 327 O LEU A 28 43.364 27.858 -15.019 1.00 31.44 O ATOM 328 CB LEU A 28 43.212 24.491 -14.502 1.00 44.21 C ATOM 329 CG LEU A 28 42.141 23.452 -14.164 1.00 21.20 C ATOM 330 CD1 LEU A 28 42.674 22.444 -13.158 1.00 61.40 C ATOM 331 CD2 LEU A 28 40.889 24.131 -13.629 1.00 11.03 C ATOM 0 H LEU A 28 42.852 24.012 -16.902 1.00 22.03 H new ATOM 0 HA LEU A 28 41.798 25.920 -15.267 1.00 42.45 H new ATOM 0 HB2 LEU A 28 44.084 23.970 -14.896 1.00 44.21 H new ATOM 0 HB3 LEU A 28 43.522 24.978 -13.578 1.00 44.21 H new ATOM 0 HG LEU A 28 41.879 22.919 -15.078 1.00 21.20 H new ATOM 0 HD11 LEU A 28 41.898 21.713 -12.930 1.00 61.40 H new ATOM 0 HD12 LEU A 28 43.541 21.934 -13.578 1.00 61.40 H new ATOM 0 HD13 LEU A 28 42.965 22.961 -12.244 1.00 61.40 H new ATOM 0 HD21 LEU A 28 40.138 23.377 -13.394 1.00 11.03 H new ATOM 0 HD22 LEU A 28 41.136 24.691 -12.727 1.00 11.03 H new ATOM 0 HD23 LEU A 28 40.495 24.813 -14.382 1.00 11.03 H new ATOM 343 N VAL A 29 45.020 26.526 -15.758 1.00 25.24 N ATOM 344 CA VAL A 29 46.032 27.574 -15.714 1.00 40.43 C ATOM 345 C VAL A 29 45.944 28.476 -16.941 1.00 62.53 C ATOM 346 O VAL A 29 45.975 29.701 -16.829 1.00 10.01 O ATOM 347 CB VAL A 29 47.451 26.981 -15.626 1.00 40.11 C ATOM 348 CG1 VAL A 29 47.641 26.245 -14.309 1.00 40.32 C ATOM 349 CG2 VAL A 29 47.716 26.058 -16.806 1.00 52.10 C ATOM 0 H VAL A 29 45.364 25.621 -16.078 1.00 25.24 H new ATOM 0 HA VAL A 29 45.837 28.164 -14.819 1.00 40.43 H new ATOM 0 HB VAL A 29 48.171 27.798 -15.665 1.00 40.11 H new ATOM 0 HG11 VAL A 29 48.649 25.833 -14.265 1.00 40.32 H new ATOM 0 HG12 VAL A 29 47.496 26.938 -13.481 1.00 40.32 H new ATOM 0 HG13 VAL A 29 46.915 25.436 -14.236 1.00 40.32 H new ATOM 0 HG21 VAL A 29 48.723 25.648 -16.728 1.00 52.10 H new ATOM 0 HG22 VAL A 29 46.991 25.244 -16.801 1.00 52.10 H new ATOM 0 HG23 VAL A 29 47.624 26.620 -17.735 1.00 52.10 H new ATOM 359 N THR A 30 45.835 27.859 -18.114 1.00 55.32 N ATOM 360 CA THR A 30 45.744 28.605 -19.363 1.00 30.31 C ATOM 361 C THR A 30 44.717 29.726 -19.259 1.00 10.15 C ATOM 362 O THR A 30 44.847 30.762 -19.914 1.00 3.54 O ATOM 363 CB THR A 30 45.366 27.685 -20.539 1.00 34.30 C ATOM 364 OG1 THR A 30 46.470 26.835 -20.871 1.00 71.32 O ATOM 365 CG2 THR A 30 44.966 28.503 -21.758 1.00 34.43 C ATOM 0 H THR A 30 45.808 26.845 -18.225 1.00 55.32 H new ATOM 0 HA THR A 30 46.729 29.034 -19.549 1.00 30.31 H new ATOM 0 HB THR A 30 44.516 27.074 -20.235 1.00 34.30 H new ATOM 0 HG1 THR A 30 46.500 26.079 -20.248 1.00 71.32 H new ATOM 0 HG21 THR A 30 44.703 27.832 -22.576 1.00 34.43 H new ATOM 0 HG22 THR A 30 44.108 29.128 -21.511 1.00 34.43 H new ATOM 0 HG23 THR A 30 45.800 29.136 -22.061 1.00 34.43 H new ATOM 373 N LEU A 31 43.698 29.515 -18.434 1.00 1.11 N ATOM 374 CA LEU A 31 42.648 30.509 -18.244 1.00 12.54 C ATOM 375 C LEU A 31 43.208 31.779 -17.609 1.00 44.35 C ATOM 376 O LEU A 31 43.264 32.831 -18.244 1.00 2.43 O ATOM 377 CB LEU A 31 41.528 29.939 -17.372 1.00 74.24 C ATOM 378 CG LEU A 31 40.154 29.826 -18.031 1.00 12.31 C ATOM 379 CD1 LEU A 31 39.106 29.405 -17.013 1.00 61.53 C ATOM 380 CD2 LEU A 31 39.766 31.144 -18.684 1.00 20.22 C ATOM 0 H LEU A 31 43.576 28.664 -17.885 1.00 1.11 H new ATOM 0 HA LEU A 31 42.242 30.763 -19.223 1.00 12.54 H new ATOM 0 HB2 LEU A 31 41.828 28.948 -17.033 1.00 74.24 H new ATOM 0 HB3 LEU A 31 41.432 30.564 -16.484 1.00 74.24 H new ATOM 0 HG LEU A 31 40.206 29.061 -18.805 1.00 12.31 H new ATOM 0 HD11 LEU A 31 38.134 29.330 -17.501 1.00 61.53 H new ATOM 0 HD12 LEU A 31 39.376 28.437 -16.592 1.00 61.53 H new ATOM 0 HD13 LEU A 31 39.055 30.146 -16.215 1.00 61.53 H new ATOM 0 HD21 LEU A 31 38.785 31.045 -19.148 1.00 20.22 H new ATOM 0 HD22 LEU A 31 39.732 31.929 -17.928 1.00 20.22 H new ATOM 0 HD23 LEU A 31 40.503 31.404 -19.444 1.00 20.22 H new ATOM 392 N ALA A 32 43.624 31.670 -16.352 1.00 75.34 N ATOM 393 CA ALA A 32 44.184 32.807 -15.631 1.00 61.50 C ATOM 394 C ALA A 32 45.076 33.647 -16.540 1.00 41.14 C ATOM 395 O ALA A 32 45.022 34.876 -16.511 1.00 54.31 O ATOM 396 CB ALA A 32 44.966 32.328 -14.417 1.00 72.14 C ATOM 0 H ALA A 32 43.584 30.806 -15.811 1.00 75.34 H new ATOM 0 HA ALA A 32 43.359 33.435 -15.294 1.00 61.50 H new ATOM 0 HB1 ALA A 32 45.379 33.187 -13.888 1.00 72.14 H new ATOM 0 HB2 ALA A 32 44.302 31.776 -13.751 1.00 72.14 H new ATOM 0 HB3 ALA A 32 45.778 31.677 -14.741 1.00 72.14 H new ATOM 402 N ILE A 33 45.894 32.976 -17.342 1.00 72.42 N ATOM 403 CA ILE A 33 46.796 33.661 -18.258 1.00 32.12 C ATOM 404 C ILE A 33 46.073 34.772 -19.014 1.00 74.02 C ATOM 405 O ILE A 33 46.528 35.916 -19.040 1.00 12.31 O ATOM 406 CB ILE A 33 47.416 32.685 -19.275 1.00 30.54 C ATOM 407 CG1 ILE A 33 48.072 31.508 -18.550 1.00 64.23 C ATOM 408 CG2 ILE A 33 48.431 33.404 -20.151 1.00 3.35 C ATOM 409 CD1 ILE A 33 48.949 30.659 -19.444 1.00 53.42 C ATOM 0 H ILE A 33 45.951 31.958 -17.376 1.00 72.42 H new ATOM 0 HA ILE A 33 47.591 34.094 -17.651 1.00 32.12 H new ATOM 0 HB ILE A 33 46.622 32.299 -19.914 1.00 30.54 H new ATOM 0 HG12 ILE A 33 48.671 31.890 -17.724 1.00 64.23 H new ATOM 0 HG13 ILE A 33 47.294 30.880 -18.116 1.00 64.23 H new ATOM 0 HG21 ILE A 33 48.860 32.700 -20.864 1.00 3.35 H new ATOM 0 HG22 ILE A 33 47.938 34.212 -20.691 1.00 3.35 H new ATOM 0 HG23 ILE A 33 49.224 33.816 -19.526 1.00 3.35 H new ATOM 0 HD11 ILE A 33 49.381 29.844 -18.863 1.00 53.42 H new ATOM 0 HD12 ILE A 33 48.350 30.248 -20.257 1.00 53.42 H new ATOM 0 HD13 ILE A 33 49.749 31.273 -19.858 1.00 53.42 H new ATOM 421 N LEU A 34 44.946 34.427 -19.625 1.00 40.33 N ATOM 422 CA LEU A 34 44.157 35.395 -20.379 1.00 74.31 C ATOM 423 C LEU A 34 43.936 36.668 -19.568 1.00 21.41 C ATOM 424 O LEU A 34 43.778 37.754 -20.126 1.00 63.10 O ATOM 425 CB LEU A 34 42.811 34.788 -20.775 1.00 5.45 C ATOM 426 CG LEU A 34 42.254 35.216 -22.133 1.00 15.32 C ATOM 427 CD1 LEU A 34 41.978 36.712 -22.150 1.00 21.42 C ATOM 428 CD2 LEU A 34 43.220 34.838 -23.248 1.00 44.20 C ATOM 0 H LEU A 34 44.557 33.484 -19.613 1.00 40.33 H new ATOM 0 HA LEU A 34 44.711 35.654 -21.282 1.00 74.31 H new ATOM 0 HB2 LEU A 34 42.910 33.702 -20.771 1.00 5.45 H new ATOM 0 HB3 LEU A 34 42.080 35.044 -20.008 1.00 5.45 H new ATOM 0 HG LEU A 34 41.313 34.692 -22.300 1.00 15.32 H new ATOM 0 HD11 LEU A 34 41.582 36.998 -23.125 1.00 21.42 H new ATOM 0 HD12 LEU A 34 41.250 36.956 -21.377 1.00 21.42 H new ATOM 0 HD13 LEU A 34 42.904 37.255 -21.961 1.00 21.42 H new ATOM 0 HD21 LEU A 34 42.808 35.150 -24.208 1.00 44.20 H new ATOM 0 HD22 LEU A 34 44.176 35.335 -23.085 1.00 44.20 H new ATOM 0 HD23 LEU A 34 43.368 33.758 -23.251 1.00 44.20 H new ATOM 440 N THR A 35 43.928 36.526 -18.246 1.00 54.45 N ATOM 441 CA THR A 35 43.727 37.664 -17.357 1.00 55.11 C ATOM 442 C THR A 35 44.806 38.722 -17.565 1.00 61.23 C ATOM 443 O THR A 35 44.515 39.916 -17.618 1.00 52.11 O ATOM 444 CB THR A 35 43.729 37.230 -15.879 1.00 34.23 C ATOM 445 OG1 THR A 35 42.891 36.082 -15.705 1.00 31.22 O ATOM 446 CG2 THR A 35 43.244 38.359 -14.983 1.00 65.23 C ATOM 0 H THR A 35 44.058 35.635 -17.768 1.00 54.45 H new ATOM 0 HA THR A 35 42.753 38.088 -17.602 1.00 55.11 H new ATOM 0 HB THR A 35 44.752 36.979 -15.598 1.00 34.23 H new ATOM 0 HG1 THR A 35 43.316 35.301 -16.118 1.00 31.22 H new ATOM 0 HG21 THR A 35 43.254 38.029 -13.944 1.00 65.23 H new ATOM 0 HG22 THR A 35 43.901 39.221 -15.096 1.00 65.23 H new ATOM 0 HG23 THR A 35 42.229 38.637 -15.265 1.00 65.23 H new ATOM 454 N ALA A 36 46.051 38.274 -17.683 1.00 74.41 N ATOM 455 CA ALA A 36 47.174 39.182 -17.888 1.00 13.31 C ATOM 456 C ALA A 36 46.858 40.209 -18.970 1.00 44.53 C ATOM 457 O ALA A 36 47.327 41.347 -18.917 1.00 71.41 O ATOM 458 CB ALA A 36 48.427 38.399 -18.252 1.00 51.44 C ATOM 0 H ALA A 36 46.308 37.288 -17.640 1.00 74.41 H new ATOM 0 HA ALA A 36 47.351 39.717 -16.955 1.00 13.31 H new ATOM 0 HB1 ALA A 36 49.257 39.090 -18.402 1.00 51.44 H new ATOM 0 HB2 ALA A 36 48.671 37.708 -17.445 1.00 51.44 H new ATOM 0 HB3 ALA A 36 48.252 37.838 -19.170 1.00 51.44 H new ATOM 464 N LEU A 37 46.060 39.802 -19.951 1.00 4.43 N ATOM 465 CA LEU A 37 45.682 40.687 -21.047 1.00 0.31 C ATOM 466 C LEU A 37 44.686 41.742 -20.576 1.00 51.33 C ATOM 467 O LEU A 37 44.816 42.922 -20.900 1.00 34.10 O ATOM 468 CB LEU A 37 45.079 39.879 -22.198 1.00 51.23 C ATOM 469 CG LEU A 37 46.056 39.012 -22.992 1.00 14.23 C ATOM 470 CD1 LEU A 37 47.256 39.833 -23.439 1.00 51.54 C ATOM 471 CD2 LEU A 37 46.504 37.816 -22.165 1.00 50.53 C ATOM 0 H LEU A 37 45.662 38.865 -20.010 1.00 4.43 H new ATOM 0 HA LEU A 37 46.581 41.193 -21.399 1.00 0.31 H new ATOM 0 HB2 LEU A 37 44.298 39.235 -21.793 1.00 51.23 H new ATOM 0 HB3 LEU A 37 44.595 40.571 -22.887 1.00 51.23 H new ATOM 0 HG LEU A 37 45.543 38.642 -23.880 1.00 14.23 H new ATOM 0 HD11 LEU A 37 47.941 39.199 -24.003 1.00 51.54 H new ATOM 0 HD12 LEU A 37 46.919 40.655 -24.070 1.00 51.54 H new ATOM 0 HD13 LEU A 37 47.769 40.233 -22.565 1.00 51.54 H new ATOM 0 HD21 LEU A 37 47.199 37.211 -22.747 1.00 50.53 H new ATOM 0 HD22 LEU A 37 46.998 38.165 -21.258 1.00 50.53 H new ATOM 0 HD23 LEU A 37 45.636 37.214 -21.896 1.00 50.53 H new ATOM 483 N ARG A 38 43.691 41.308 -19.807 1.00 53.14 N ATOM 484 CA ARG A 38 42.674 42.216 -19.289 1.00 25.44 C ATOM 485 C ARG A 38 43.316 43.422 -18.610 1.00 21.42 C ATOM 486 O ARG A 38 43.059 44.568 -18.982 1.00 24.11 O ATOM 487 CB ARG A 38 41.763 41.485 -18.302 1.00 73.51 C ATOM 488 CG ARG A 38 40.301 41.885 -18.411 1.00 74.25 C ATOM 489 CD ARG A 38 39.379 40.722 -18.079 1.00 73.11 C ATOM 490 NE ARG A 38 38.876 40.062 -19.281 1.00 33.40 N ATOM 491 CZ ARG A 38 38.032 40.631 -20.133 1.00 35.42 C ATOM 492 NH1 ARG A 38 37.598 41.865 -19.917 1.00 0.14 N ATOM 493 NH2 ARG A 38 37.621 39.966 -21.205 1.00 24.33 N ATOM 0 H ARG A 38 43.568 40.334 -19.530 1.00 53.14 H new ATOM 0 HA ARG A 38 42.077 42.570 -20.129 1.00 25.44 H new ATOM 0 HB2 ARG A 38 41.850 40.411 -18.467 1.00 73.51 H new ATOM 0 HB3 ARG A 38 42.110 41.681 -17.287 1.00 73.51 H new ATOM 0 HG2 ARG A 38 40.099 42.716 -17.735 1.00 74.25 H new ATOM 0 HG3 ARG A 38 40.094 42.238 -19.421 1.00 74.25 H new ATOM 0 HD2 ARG A 38 39.915 39.998 -17.465 1.00 73.11 H new ATOM 0 HD3 ARG A 38 38.539 41.083 -17.485 1.00 73.11 H new ATOM 0 HE ARG A 38 39.191 39.112 -19.476 1.00 33.40 H new ATOM 0 HH11 ARG A 38 37.913 42.380 -19.094 1.00 0.14 H new ATOM 0 HH12 ARG A 38 36.950 42.300 -20.573 1.00 0.14 H new ATOM 0 HH21 ARG A 38 37.954 39.017 -21.375 1.00 24.33 H new ATOM 0 HH22 ARG A 38 36.972 40.404 -21.859 1.00 24.33 H new ATOM 507 N LEU A 39 44.151 43.156 -17.611 1.00 21.23 N ATOM 508 CA LEU A 39 44.830 44.220 -16.879 1.00 60.12 C ATOM 509 C LEU A 39 45.506 45.195 -17.836 1.00 1.25 C ATOM 510 O LEU A 39 45.610 46.388 -17.552 1.00 23.34 O ATOM 511 CB LEU A 39 45.865 43.626 -15.922 1.00 31.00 C ATOM 512 CG LEU A 39 45.445 42.356 -15.181 1.00 4.51 C ATOM 513 CD1 LEU A 39 46.495 41.965 -14.153 1.00 24.41 C ATOM 514 CD2 LEU A 39 44.091 42.552 -14.514 1.00 24.02 C ATOM 0 H LEU A 39 44.374 42.214 -17.290 1.00 21.23 H new ATOM 0 HA LEU A 39 44.082 44.766 -16.304 1.00 60.12 H new ATOM 0 HB2 LEU A 39 46.771 43.409 -16.488 1.00 31.00 H new ATOM 0 HB3 LEU A 39 46.124 44.384 -15.183 1.00 31.00 H new ATOM 0 HG LEU A 39 45.358 41.547 -15.906 1.00 4.51 H new ATOM 0 HD11 LEU A 39 46.178 41.059 -13.636 1.00 24.41 H new ATOM 0 HD12 LEU A 39 47.445 41.783 -14.655 1.00 24.41 H new ATOM 0 HD13 LEU A 39 46.615 42.772 -13.430 1.00 24.41 H new ATOM 0 HD21 LEU A 39 43.807 41.639 -13.991 1.00 24.02 H new ATOM 0 HD22 LEU A 39 44.152 43.374 -13.801 1.00 24.02 H new ATOM 0 HD23 LEU A 39 43.342 42.784 -15.272 1.00 24.02 H new ATOM 526 N ALA A 40 45.963 44.679 -18.974 1.00 11.30 N ATOM 527 CA ALA A 40 46.625 45.506 -19.976 1.00 42.05 C ATOM 528 C ALA A 40 45.686 46.585 -20.504 1.00 13.14 C ATOM 529 O ALA A 40 46.125 47.669 -20.888 1.00 54.23 O ATOM 530 CB ALA A 40 47.136 44.641 -21.118 1.00 3.44 C ATOM 0 H ALA A 40 45.887 43.693 -19.224 1.00 11.30 H new ATOM 0 HA ALA A 40 47.473 46.001 -19.502 1.00 42.05 H new ATOM 0 HB1 ALA A 40 47.628 45.271 -21.859 1.00 3.44 H new ATOM 0 HB2 ALA A 40 47.848 43.911 -20.732 1.00 3.44 H new ATOM 0 HB3 ALA A 40 46.299 44.120 -21.583 1.00 3.44 H new ATOM 536 N ALA A 41 44.392 46.281 -20.523 1.00 32.54 N ATOM 537 CA ALA A 41 43.392 47.225 -21.005 1.00 72.20 C ATOM 538 C ALA A 41 43.354 48.475 -20.132 1.00 4.30 C ATOM 539 O ALA A 41 43.295 49.596 -20.638 1.00 13.14 O ATOM 540 CB ALA A 41 42.021 46.567 -21.048 1.00 73.44 C ATOM 0 H ALA A 41 44.012 45.388 -20.210 1.00 32.54 H new ATOM 0 HA ALA A 41 43.669 47.526 -22.015 1.00 72.20 H new ATOM 0 HB1 ALA A 41 41.284 47.284 -21.410 1.00 73.44 H new ATOM 0 HB2 ALA A 41 42.051 45.708 -21.718 1.00 73.44 H new ATOM 0 HB3 ALA A 41 41.744 46.237 -20.047 1.00 73.44 H new ATOM 546 N TYR A 42 43.384 48.276 -18.819 1.00 34.52 N ATOM 547 CA TYR A 42 43.350 49.388 -17.876 1.00 62.44 C ATOM 548 C TYR A 42 44.624 50.222 -17.970 1.00 60.25 C ATOM 549 O TYR A 42 44.661 51.369 -17.526 1.00 20.44 O ATOM 550 CB TYR A 42 43.172 48.866 -16.449 1.00 11.22 C ATOM 551 CG TYR A 42 41.736 48.557 -16.092 1.00 42.21 C ATOM 552 CD1 TYR A 42 41.017 47.596 -16.794 1.00 20.10 C ATOM 553 CD2 TYR A 42 41.096 49.224 -15.055 1.00 20.21 C ATOM 554 CE1 TYR A 42 39.704 47.310 -16.473 1.00 11.11 C ATOM 555 CE2 TYR A 42 39.785 48.942 -14.725 1.00 53.30 C ATOM 556 CZ TYR A 42 39.092 47.986 -15.438 1.00 61.52 C ATOM 557 OH TYR A 42 37.785 47.703 -15.113 1.00 14.11 O ATOM 0 H TYR A 42 43.432 47.355 -18.383 1.00 34.52 H new ATOM 0 HA TYR A 42 42.503 50.024 -18.132 1.00 62.44 H new ATOM 0 HB2 TYR A 42 43.771 47.964 -16.324 1.00 11.22 H new ATOM 0 HB3 TYR A 42 43.560 49.606 -15.749 1.00 11.22 H new ATOM 0 HD1 TYR A 42 41.493 47.064 -17.604 1.00 20.10 H new ATOM 0 HD2 TYR A 42 41.633 49.977 -14.497 1.00 20.21 H new ATOM 0 HE1 TYR A 42 39.160 46.561 -17.029 1.00 11.11 H new ATOM 0 HE2 TYR A 42 39.305 49.467 -13.913 1.00 53.30 H new ATOM 0 HH TYR A 42 37.506 48.266 -14.361 1.00 14.11 H new ATOM 567 N ALA A 43 45.666 49.636 -18.550 1.00 4.03 N ATOM 568 CA ALA A 43 46.941 50.324 -18.705 1.00 4.13 C ATOM 569 C ALA A 43 46.776 51.610 -19.508 1.00 12.12 C ATOM 570 O ALA A 43 47.654 52.474 -19.502 1.00 64.14 O ATOM 571 CB ALA A 43 47.957 49.410 -19.372 1.00 23.33 C ATOM 0 H ALA A 43 45.652 48.686 -18.920 1.00 4.03 H new ATOM 0 HA ALA A 43 47.305 50.590 -17.713 1.00 4.13 H new ATOM 0 HB1 ALA A 43 48.905 49.938 -19.481 1.00 23.33 H new ATOM 0 HB2 ALA A 43 48.105 48.521 -18.758 1.00 23.33 H new ATOM 0 HB3 ALA A 43 47.591 49.115 -20.355 1.00 23.33 H new ATOM 577 N ALA A 44 45.647 51.730 -20.199 1.00 34.03 N ATOM 578 CA ALA A 44 45.368 52.911 -21.006 1.00 10.22 C ATOM 579 C ALA A 44 44.850 54.056 -20.142 1.00 11.05 C ATOM 580 O ALA A 44 44.734 55.191 -20.603 1.00 33.33 O ATOM 581 CB ALA A 44 44.365 52.578 -22.100 1.00 72.51 C ATOM 0 H ALA A 44 44.911 51.024 -20.216 1.00 34.03 H new ATOM 0 HA ALA A 44 46.301 53.233 -21.469 1.00 10.22 H new ATOM 0 HB1 ALA A 44 44.166 53.469 -22.695 1.00 72.51 H new ATOM 0 HB2 ALA A 44 44.773 51.797 -22.742 1.00 72.51 H new ATOM 0 HB3 ALA A 44 43.437 52.229 -21.648 1.00 72.51 H new ATOM 587 N ASN A 45 44.540 53.751 -18.887 1.00 5.22 N ATOM 588 CA ASN A 45 44.032 54.755 -17.959 1.00 74.04 C ATOM 589 C ASN A 45 45.125 55.206 -16.994 1.00 61.32 C ATOM 590 O ASN A 45 45.590 56.343 -17.056 1.00 74.30 O ATOM 591 CB ASN A 45 42.841 54.200 -17.174 1.00 22.34 C ATOM 592 CG ASN A 45 42.000 55.295 -16.549 1.00 61.04 C ATOM 593 OD1 ASN A 45 42.262 56.482 -16.742 1.00 22.10 O ATOM 594 ND2 ASN A 45 40.982 54.899 -15.793 1.00 1.33 N ATOM 0 H ASN A 45 44.632 52.817 -18.489 1.00 5.22 H new ATOM 0 HA ASN A 45 43.705 55.617 -18.540 1.00 74.04 H new ATOM 0 HB2 ASN A 45 42.218 53.602 -17.839 1.00 22.34 H new ATOM 0 HB3 ASN A 45 43.204 53.533 -16.392 1.00 22.34 H new ATOM 0 HD21 ASN A 45 40.380 55.590 -15.345 1.00 1.33 H new ATOM 0 HD22 ASN A 45 40.802 53.904 -15.661 1.00 1.33 H new ATOM 601 N ILE A 46 45.529 54.305 -16.104 1.00 2.25 N ATOM 602 CA ILE A 46 46.568 54.610 -15.128 1.00 23.13 C ATOM 603 C ILE A 46 47.736 53.636 -15.248 1.00 55.34 C ATOM 604 O ILE A 46 48.835 54.017 -15.652 1.00 65.51 O ATOM 605 CB ILE A 46 46.020 54.562 -13.689 1.00 11.22 C ATOM 606 CG1 ILE A 46 44.724 53.751 -13.641 1.00 44.42 C ATOM 607 CG2 ILE A 46 45.790 55.971 -13.164 1.00 52.30 C ATOM 608 CD1 ILE A 46 44.313 53.351 -12.241 1.00 40.14 C ATOM 0 H ILE A 46 45.153 53.359 -16.039 1.00 2.25 H new ATOM 0 HA ILE A 46 46.916 55.621 -15.342 1.00 23.13 H new ATOM 0 HB ILE A 46 46.756 54.073 -13.051 1.00 11.22 H new ATOM 0 HG12 ILE A 46 43.922 54.335 -14.093 1.00 44.42 H new ATOM 0 HG13 ILE A 46 44.844 52.853 -14.246 1.00 44.42 H new ATOM 0 HG21 ILE A 46 45.403 55.921 -12.146 1.00 52.30 H new ATOM 0 HG22 ILE A 46 46.732 56.519 -13.167 1.00 52.30 H new ATOM 0 HG23 ILE A 46 45.070 56.484 -13.802 1.00 52.30 H new ATOM 0 HD11 ILE A 46 43.386 52.779 -12.283 1.00 40.14 H new ATOM 0 HD12 ILE A 46 45.096 52.740 -11.792 1.00 40.14 H new ATOM 0 HD13 ILE A 46 44.160 54.245 -11.637 1.00 40.14 H new ATOM 620 N VAL A 47 47.490 52.379 -14.894 1.00 70.20 N ATOM 621 CA VAL A 47 48.521 51.350 -14.964 1.00 61.42 C ATOM 622 C VAL A 47 47.941 50.024 -15.441 1.00 23.43 C ATOM 623 O VAL A 47 46.736 49.904 -15.662 1.00 14.01 O ATOM 624 CB VAL A 47 49.197 51.139 -13.596 1.00 34.44 C ATOM 625 CG1 VAL A 47 50.263 52.199 -13.359 1.00 43.33 C ATOM 626 CG2 VAL A 47 48.162 51.153 -12.483 1.00 53.33 C ATOM 0 H VAL A 47 46.586 52.048 -14.556 1.00 70.20 H new ATOM 0 HA VAL A 47 49.266 51.696 -15.680 1.00 61.42 H new ATOM 0 HB VAL A 47 49.683 50.163 -13.596 1.00 34.44 H new ATOM 0 HG11 VAL A 47 50.730 52.035 -12.388 1.00 43.33 H new ATOM 0 HG12 VAL A 47 51.020 52.135 -14.141 1.00 43.33 H new ATOM 0 HG13 VAL A 47 49.804 53.187 -13.378 1.00 43.33 H new ATOM 0 HG21 VAL A 47 48.657 51.003 -11.524 1.00 53.33 H new ATOM 0 HG22 VAL A 47 47.646 52.113 -12.478 1.00 53.33 H new ATOM 0 HG23 VAL A 47 47.440 50.353 -12.648 1.00 53.33 H new ATOM 636 N ASN A 48 48.807 49.027 -15.599 1.00 53.53 N ATOM 637 CA ASN A 48 48.382 47.708 -16.050 1.00 45.31 C ATOM 638 C ASN A 48 47.762 46.913 -14.903 1.00 13.43 C ATOM 639 O ASN A 48 48.142 45.771 -14.648 1.00 25.24 O ATOM 640 CB ASN A 48 49.567 46.939 -16.635 1.00 30.21 C ATOM 641 CG ASN A 48 50.339 47.755 -17.654 1.00 31.03 C ATOM 642 OD1 ASN A 48 50.969 48.756 -17.316 1.00 52.34 O ATOM 643 ND2 ASN A 48 50.293 47.329 -18.911 1.00 44.12 N ATOM 0 H ASN A 48 49.808 49.109 -15.421 1.00 53.53 H new ATOM 0 HA ASN A 48 47.627 47.843 -16.825 1.00 45.31 H new ATOM 0 HB2 ASN A 48 50.237 46.641 -15.829 1.00 30.21 H new ATOM 0 HB3 ASN A 48 49.207 46.024 -17.104 1.00 30.21 H new ATOM 0 HD21 ASN A 48 50.793 47.837 -19.640 1.00 44.12 H new ATOM 0 HD22 ASN A 48 49.758 46.493 -19.147 1.00 44.12 H new ATOM 650 N VAL A 49 46.805 47.528 -14.215 1.00 54.32 N ATOM 651 CA VAL A 49 46.132 46.879 -13.096 1.00 24.01 C ATOM 652 C VAL A 49 44.621 46.859 -13.301 1.00 34.45 C ATOM 653 O VAL A 49 44.036 47.830 -13.781 1.00 62.03 O ATOM 654 CB VAL A 49 46.448 47.585 -11.764 1.00 65.15 C ATOM 655 CG1 VAL A 49 45.909 49.007 -11.772 1.00 41.24 C ATOM 656 CG2 VAL A 49 45.878 46.796 -10.595 1.00 51.51 C ATOM 0 H VAL A 49 46.479 48.474 -14.413 1.00 54.32 H new ATOM 0 HA VAL A 49 46.505 45.856 -13.053 1.00 24.01 H new ATOM 0 HB VAL A 49 47.531 47.634 -11.646 1.00 65.15 H new ATOM 0 HG11 VAL A 49 46.142 49.490 -10.823 1.00 41.24 H new ATOM 0 HG12 VAL A 49 46.370 49.566 -12.586 1.00 41.24 H new ATOM 0 HG13 VAL A 49 44.828 48.986 -11.913 1.00 41.24 H new ATOM 0 HG21 VAL A 49 46.111 47.309 -9.662 1.00 51.51 H new ATOM 0 HG22 VAL A 49 44.797 46.714 -10.704 1.00 51.51 H new ATOM 0 HG23 VAL A 49 46.318 45.799 -10.580 1.00 51.51 H new ATOM 666 N SER A 50 43.995 45.745 -12.935 1.00 41.22 N ATOM 667 CA SER A 50 42.552 45.596 -13.082 1.00 40.25 C ATOM 668 C SER A 50 42.052 44.373 -12.319 1.00 42.41 C ATOM 669 O SER A 50 42.839 43.615 -11.752 1.00 72.21 O ATOM 670 CB SER A 50 42.178 45.478 -14.560 1.00 3.03 C ATOM 671 OG SER A 50 40.774 45.375 -14.724 1.00 32.03 O ATOM 0 H SER A 50 44.464 44.933 -12.535 1.00 41.22 H new ATOM 0 HA SER A 50 42.075 46.483 -12.664 1.00 40.25 H new ATOM 0 HB2 SER A 50 42.548 46.348 -15.103 1.00 3.03 H new ATOM 0 HB3 SER A 50 42.663 44.603 -14.992 1.00 3.03 H new ATOM 0 HG SER A 50 40.410 46.247 -14.984 1.00 32.03 H new ATOM 677 N LEU A 51 40.736 44.187 -12.311 1.00 63.31 N ATOM 678 CA LEU A 51 40.128 43.055 -11.619 1.00 31.32 C ATOM 679 C LEU A 51 38.815 42.654 -12.282 1.00 44.13 C ATOM 680 O LEU A 51 38.407 43.242 -13.284 1.00 61.43 O ATOM 681 CB LEU A 51 39.886 43.401 -10.149 1.00 34.10 C ATOM 682 CG LEU A 51 41.114 43.361 -9.238 1.00 30.23 C ATOM 683 CD1 LEU A 51 40.791 43.959 -7.878 1.00 25.05 C ATOM 684 CD2 LEU A 51 41.622 41.934 -9.090 1.00 3.23 C ATOM 0 H LEU A 51 40.070 44.805 -12.775 1.00 63.31 H new ATOM 0 HA LEU A 51 40.816 42.212 -11.678 1.00 31.32 H new ATOM 0 HB2 LEU A 51 39.453 44.400 -10.098 1.00 34.10 H new ATOM 0 HB3 LEU A 51 39.142 42.711 -9.752 1.00 34.10 H new ATOM 0 HG LEU A 51 41.901 43.960 -9.696 1.00 30.23 H new ATOM 0 HD11 LEU A 51 41.677 43.921 -7.244 1.00 25.05 H new ATOM 0 HD12 LEU A 51 40.477 44.995 -8.002 1.00 25.05 H new ATOM 0 HD13 LEU A 51 39.987 43.389 -7.412 1.00 25.05 H new ATOM 0 HD21 LEU A 51 42.496 41.925 -8.439 1.00 3.23 H new ATOM 0 HD22 LEU A 51 40.839 41.312 -8.656 1.00 3.23 H new ATOM 0 HD23 LEU A 51 41.895 41.542 -10.070 1.00 3.23 H new ATOM 696 N VAL A 52 38.155 41.649 -11.714 1.00 45.42 N ATOM 697 CA VAL A 52 36.884 41.171 -12.247 1.00 30.23 C ATOM 698 C VAL A 52 35.736 41.479 -11.292 1.00 64.12 C ATOM 699 O VAL A 52 34.567 41.274 -11.621 1.00 20.43 O ATOM 700 CB VAL A 52 36.923 39.655 -12.514 1.00 3.04 C ATOM 701 CG1 VAL A 52 36.920 38.882 -11.204 1.00 63.32 C ATOM 702 CG2 VAL A 52 35.751 39.238 -13.391 1.00 35.15 C ATOM 0 H VAL A 52 38.479 41.150 -10.885 1.00 45.42 H new ATOM 0 HA VAL A 52 36.719 41.694 -13.189 1.00 30.23 H new ATOM 0 HB VAL A 52 37.846 39.421 -13.045 1.00 3.04 H new ATOM 0 HG11 VAL A 52 36.948 37.812 -11.413 1.00 63.32 H new ATOM 0 HG12 VAL A 52 37.794 39.160 -10.616 1.00 63.32 H new ATOM 0 HG13 VAL A 52 36.016 39.119 -10.644 1.00 63.32 H new ATOM 0 HG21 VAL A 52 35.794 38.164 -13.570 1.00 35.15 H new ATOM 0 HG22 VAL A 52 34.815 39.485 -12.889 1.00 35.15 H new ATOM 0 HG23 VAL A 52 35.803 39.766 -14.343 1.00 35.15 H new ATOM 712 N LYS A 53 36.076 41.972 -10.106 1.00 35.30 N ATOM 713 CA LYS A 53 35.076 42.310 -9.102 1.00 44.30 C ATOM 714 C LYS A 53 34.113 43.369 -9.629 1.00 44.43 C ATOM 715 O LYS A 53 32.893 43.199 -9.608 1.00 51.15 O ATOM 716 CB LYS A 53 35.753 42.812 -7.825 1.00 13.34 C ATOM 717 CG LYS A 53 34.877 43.731 -6.992 1.00 42.52 C ATOM 718 CD LYS A 53 33.580 43.050 -6.588 1.00 72.30 C ATOM 719 CE LYS A 53 33.466 42.920 -5.077 1.00 40.20 C ATOM 720 NZ LYS A 53 32.048 42.832 -4.633 1.00 42.42 N ATOM 0 H LYS A 53 37.039 42.146 -9.817 1.00 35.30 H new ATOM 0 HA LYS A 53 34.508 41.408 -8.874 1.00 44.30 H new ATOM 0 HB2 LYS A 53 36.046 41.955 -7.218 1.00 13.34 H new ATOM 0 HB3 LYS A 53 36.668 43.341 -8.093 1.00 13.34 H new ATOM 0 HG2 LYS A 53 35.420 44.041 -6.099 1.00 42.52 H new ATOM 0 HG3 LYS A 53 34.653 44.635 -7.559 1.00 42.52 H new ATOM 0 HD2 LYS A 53 32.734 43.621 -6.970 1.00 72.30 H new ATOM 0 HD3 LYS A 53 33.529 42.061 -7.044 1.00 72.30 H new ATOM 0 HE2 LYS A 53 34.005 42.032 -4.747 1.00 40.20 H new ATOM 0 HE3 LYS A 53 33.943 43.777 -4.602 1.00 40.20 H new ATOM 0 HZ1 LYS A 53 32.013 42.744 -3.597 1.00 42.42 H new ATOM 0 HZ2 LYS A 53 31.539 43.690 -4.925 1.00 42.42 H new ATOM 0 HZ3 LYS A 53 31.600 41.999 -5.066 1.00 42.42 H new ATOM 734 N PRO A 54 34.670 44.489 -10.114 1.00 64.34 N ATOM 735 CA PRO A 54 33.878 45.595 -10.658 1.00 3.31 C ATOM 736 C PRO A 54 33.211 45.236 -11.981 1.00 0.13 C ATOM 737 O PRO A 54 32.378 45.986 -12.493 1.00 63.34 O ATOM 738 CB PRO A 54 34.913 46.704 -10.864 1.00 54.14 C ATOM 739 CG PRO A 54 36.208 45.987 -11.033 1.00 3.43 C ATOM 740 CD PRO A 54 36.116 44.759 -10.170 1.00 70.31 C ATOM 0 HA PRO A 54 33.059 45.874 -9.995 1.00 3.31 H new ATOM 0 HB2 PRO A 54 34.677 47.308 -11.741 1.00 54.14 H new ATOM 0 HB3 PRO A 54 34.944 47.381 -10.010 1.00 54.14 H new ATOM 0 HG2 PRO A 54 36.373 45.719 -12.077 1.00 3.43 H new ATOM 0 HG3 PRO A 54 37.045 46.616 -10.729 1.00 3.43 H new ATOM 0 HD2 PRO A 54 36.665 43.922 -10.602 1.00 70.31 H new ATOM 0 HD3 PRO A 54 36.531 44.933 -9.177 1.00 70.31 H new ATOM 748 N THR A 55 33.582 44.085 -12.532 1.00 52.10 N ATOM 749 CA THR A 55 33.020 43.627 -13.797 1.00 73.20 C ATOM 750 C THR A 55 31.758 42.803 -13.572 1.00 40.43 C ATOM 751 O THR A 55 31.079 42.417 -14.522 1.00 3.23 O ATOM 752 CB THR A 55 34.036 42.782 -14.589 1.00 54.22 C ATOM 753 OG1 THR A 55 34.074 41.448 -14.070 1.00 2.43 O ATOM 754 CG2 THR A 55 35.425 43.399 -14.519 1.00 4.21 C ATOM 0 H THR A 55 34.269 43.453 -12.122 1.00 52.10 H new ATOM 0 HA THR A 55 32.771 44.518 -14.373 1.00 73.20 H new ATOM 0 HB THR A 55 33.720 42.757 -15.632 1.00 54.22 H new ATOM 0 HG1 THR A 55 33.873 41.464 -13.111 1.00 2.43 H new ATOM 0 HG21 THR A 55 36.125 42.785 -15.085 1.00 4.21 H new ATOM 0 HG22 THR A 55 35.399 44.403 -14.942 1.00 4.21 H new ATOM 0 HG23 THR A 55 35.748 43.452 -13.479 1.00 4.21 H new ATOM 762 N VAL A 56 31.448 42.538 -12.306 1.00 11.33 N ATOM 763 CA VAL A 56 30.265 41.762 -11.956 1.00 3.40 C ATOM 764 C VAL A 56 29.005 42.379 -12.553 1.00 1.01 C ATOM 765 O VAL A 56 28.043 41.676 -12.864 1.00 13.14 O ATOM 766 CB VAL A 56 30.095 41.655 -10.429 1.00 61.15 C ATOM 767 CG1 VAL A 56 31.227 40.841 -9.822 1.00 73.42 C ATOM 768 CG2 VAL A 56 30.028 43.040 -9.802 1.00 65.05 C ATOM 0 H VAL A 56 32.000 42.850 -11.507 1.00 11.33 H new ATOM 0 HA VAL A 56 30.409 40.764 -12.370 1.00 3.40 H new ATOM 0 HB VAL A 56 29.157 41.141 -10.220 1.00 61.15 H new ATOM 0 HG11 VAL A 56 31.090 40.776 -8.743 1.00 73.42 H new ATOM 0 HG12 VAL A 56 31.224 39.838 -10.249 1.00 73.42 H new ATOM 0 HG13 VAL A 56 32.180 41.325 -10.039 1.00 73.42 H new ATOM 0 HG21 VAL A 56 29.908 42.945 -8.723 1.00 65.05 H new ATOM 0 HG22 VAL A 56 30.948 43.582 -10.018 1.00 65.05 H new ATOM 0 HG23 VAL A 56 29.180 43.586 -10.215 1.00 65.05 H new ATOM 778 N TYR A 57 29.017 43.698 -12.711 1.00 35.52 N ATOM 779 CA TYR A 57 27.875 44.412 -13.271 1.00 74.25 C ATOM 780 C TYR A 57 27.427 43.780 -14.585 1.00 73.45 C ATOM 781 O TYR A 57 26.236 43.727 -14.888 1.00 64.34 O ATOM 782 CB TYR A 57 28.226 45.884 -13.493 1.00 51.43 C ATOM 783 CG TYR A 57 29.063 46.126 -14.728 1.00 13.03 C ATOM 784 CD1 TYR A 57 30.377 45.680 -14.799 1.00 23.41 C ATOM 785 CD2 TYR A 57 28.542 46.804 -15.823 1.00 25.23 C ATOM 786 CE1 TYR A 57 31.146 45.900 -15.926 1.00 33.00 C ATOM 787 CE2 TYR A 57 29.303 47.027 -16.954 1.00 1.43 C ATOM 788 CZ TYR A 57 30.605 46.574 -17.001 1.00 42.04 C ATOM 789 OH TYR A 57 31.366 46.795 -18.125 1.00 74.24 O ATOM 0 H TYR A 57 29.805 44.295 -12.459 1.00 35.52 H new ATOM 0 HA TYR A 57 27.053 44.345 -12.559 1.00 74.25 H new ATOM 0 HB2 TYR A 57 27.305 46.461 -13.570 1.00 51.43 H new ATOM 0 HB3 TYR A 57 28.764 46.256 -12.621 1.00 51.43 H new ATOM 0 HD1 TYR A 57 30.805 45.152 -13.959 1.00 23.41 H new ATOM 0 HD2 TYR A 57 27.524 47.163 -15.789 1.00 25.23 H new ATOM 0 HE1 TYR A 57 32.166 45.546 -15.965 1.00 33.00 H new ATOM 0 HE2 TYR A 57 28.881 47.553 -17.797 1.00 1.43 H new ATOM 0 HH TYR A 57 30.835 47.282 -18.789 1.00 74.24 H new ATOM 799 N VAL A 58 28.394 43.300 -15.362 1.00 24.14 N ATOM 800 CA VAL A 58 28.101 42.670 -16.644 1.00 62.34 C ATOM 801 C VAL A 58 27.596 41.244 -16.452 1.00 32.23 C ATOM 802 O VAL A 58 26.853 40.720 -17.283 1.00 74.32 O ATOM 803 CB VAL A 58 29.343 42.644 -17.554 1.00 75.44 C ATOM 804 CG1 VAL A 58 30.212 41.435 -17.239 1.00 53.45 C ATOM 805 CG2 VAL A 58 28.932 42.648 -19.018 1.00 75.44 C ATOM 0 H VAL A 58 29.386 43.336 -15.126 1.00 24.14 H new ATOM 0 HA VAL A 58 27.324 43.268 -17.120 1.00 62.34 H new ATOM 0 HB VAL A 58 29.930 43.543 -17.363 1.00 75.44 H new ATOM 0 HG11 VAL A 58 31.085 41.434 -17.892 1.00 53.45 H new ATOM 0 HG12 VAL A 58 30.537 41.481 -16.200 1.00 53.45 H new ATOM 0 HG13 VAL A 58 29.638 40.522 -17.399 1.00 53.45 H new ATOM 0 HG21 VAL A 58 29.823 42.629 -19.646 1.00 75.44 H new ATOM 0 HG22 VAL A 58 28.322 41.769 -19.227 1.00 75.44 H new ATOM 0 HG23 VAL A 58 28.356 43.548 -19.232 1.00 75.44 H new ATOM 815 N TYR A 59 28.003 40.620 -15.352 1.00 75.02 N ATOM 816 CA TYR A 59 27.594 39.254 -15.052 1.00 64.04 C ATOM 817 C TYR A 59 26.083 39.098 -15.180 1.00 5.32 C ATOM 818 O TYR A 59 25.595 38.160 -15.813 1.00 35.22 O ATOM 819 CB TYR A 59 28.040 38.864 -13.641 1.00 70.31 C ATOM 820 CG TYR A 59 27.821 37.403 -13.319 1.00 35.23 C ATOM 821 CD1 TYR A 59 28.290 36.407 -14.167 1.00 43.21 C ATOM 822 CD2 TYR A 59 27.147 37.019 -12.166 1.00 43.13 C ATOM 823 CE1 TYR A 59 28.091 35.071 -13.876 1.00 65.51 C ATOM 824 CE2 TYR A 59 26.946 35.686 -11.867 1.00 24.41 C ATOM 825 CZ TYR A 59 27.419 34.716 -12.726 1.00 62.32 C ATOM 826 OH TYR A 59 27.221 33.385 -12.432 1.00 11.24 O ATOM 0 H TYR A 59 28.616 41.039 -14.653 1.00 75.02 H new ATOM 0 HA TYR A 59 28.072 38.592 -15.774 1.00 64.04 H new ATOM 0 HB2 TYR A 59 29.098 39.098 -13.526 1.00 70.31 H new ATOM 0 HB3 TYR A 59 27.498 39.472 -12.917 1.00 70.31 H new ATOM 0 HD1 TYR A 59 28.819 36.682 -15.068 1.00 43.21 H new ATOM 0 HD2 TYR A 59 26.774 37.776 -11.492 1.00 43.13 H new ATOM 0 HE1 TYR A 59 28.460 34.309 -14.546 1.00 65.51 H new ATOM 0 HE2 TYR A 59 26.422 35.405 -10.966 1.00 24.41 H new ATOM 0 HH TYR A 59 26.732 33.306 -11.586 1.00 11.24 H new ATOM 836 N SER A 60 25.344 40.023 -14.575 1.00 61.51 N ATOM 837 CA SER A 60 23.887 39.988 -14.619 1.00 32.21 C ATOM 838 C SER A 60 23.373 40.436 -15.984 1.00 35.51 C ATOM 839 O SER A 60 22.394 39.897 -16.499 1.00 65.22 O ATOM 840 CB SER A 60 23.301 40.880 -13.523 1.00 61.53 C ATOM 841 OG SER A 60 23.644 42.239 -13.734 1.00 63.14 O ATOM 0 H SER A 60 25.731 40.806 -14.048 1.00 61.51 H new ATOM 0 HA SER A 60 23.568 38.960 -14.450 1.00 32.21 H new ATOM 0 HB2 SER A 60 22.216 40.774 -13.505 1.00 61.53 H new ATOM 0 HB3 SER A 60 23.669 40.555 -12.550 1.00 61.53 H new ATOM 0 HG SER A 60 23.256 42.789 -13.021 1.00 63.14 H new ATOM 847 N ARG A 61 24.042 41.428 -16.563 1.00 24.35 N ATOM 848 CA ARG A 61 23.653 41.951 -17.868 1.00 35.41 C ATOM 849 C ARG A 61 23.585 40.832 -18.904 1.00 43.40 C ATOM 850 O ARG A 61 22.532 40.576 -19.488 1.00 51.11 O ATOM 851 CB ARG A 61 24.641 43.025 -18.326 1.00 70.45 C ATOM 852 CG ARG A 61 24.753 44.198 -17.367 1.00 51.13 C ATOM 853 CD ARG A 61 23.916 45.380 -17.831 1.00 25.34 C ATOM 854 NE ARG A 61 24.677 46.290 -18.681 1.00 42.12 N ATOM 855 CZ ARG A 61 24.116 47.159 -19.515 1.00 74.22 C ATOM 856 NH1 ARG A 61 22.796 47.235 -19.609 1.00 11.15 N ATOM 857 NH2 ARG A 61 24.877 47.955 -20.257 1.00 54.14 N ATOM 0 H ARG A 61 24.855 41.885 -16.150 1.00 24.35 H new ATOM 0 HA ARG A 61 22.662 42.395 -17.773 1.00 35.41 H new ATOM 0 HB2 ARG A 61 25.625 42.573 -18.450 1.00 70.45 H new ATOM 0 HB3 ARG A 61 24.335 43.395 -19.305 1.00 70.45 H new ATOM 0 HG2 ARG A 61 24.429 43.889 -16.373 1.00 51.13 H new ATOM 0 HG3 ARG A 61 25.797 44.501 -17.282 1.00 51.13 H new ATOM 0 HD2 ARG A 61 23.046 45.016 -18.378 1.00 25.34 H new ATOM 0 HD3 ARG A 61 23.542 45.923 -16.963 1.00 25.34 H new ATOM 0 HE ARG A 61 25.695 46.257 -18.632 1.00 42.12 H new ATOM 0 HH11 ARG A 61 22.208 46.625 -19.040 1.00 11.15 H new ATOM 0 HH12 ARG A 61 22.368 47.903 -20.250 1.00 11.15 H new ATOM 0 HH21 ARG A 61 25.893 47.900 -20.187 1.00 54.14 H new ATOM 0 HH22 ARG A 61 24.445 48.622 -20.897 1.00 54.14 H new ATOM 871 N VAL A 62 24.716 40.170 -19.128 1.00 41.42 N ATOM 872 CA VAL A 62 24.785 39.079 -20.092 1.00 4.42 C ATOM 873 C VAL A 62 23.710 38.033 -19.817 1.00 72.42 C ATOM 874 O VAL A 62 23.129 37.465 -20.741 1.00 41.52 O ATOM 875 CB VAL A 62 26.166 38.398 -20.072 1.00 12.32 C ATOM 876 CG1 VAL A 62 27.242 39.361 -20.551 1.00 61.44 C ATOM 877 CG2 VAL A 62 26.484 37.880 -18.678 1.00 65.23 C ATOM 0 H VAL A 62 25.597 40.371 -18.655 1.00 41.42 H new ATOM 0 HA VAL A 62 24.619 39.516 -21.076 1.00 4.42 H new ATOM 0 HB VAL A 62 26.143 37.548 -20.754 1.00 12.32 H new ATOM 0 HG11 VAL A 62 28.211 38.863 -20.530 1.00 61.44 H new ATOM 0 HG12 VAL A 62 27.019 39.679 -21.570 1.00 61.44 H new ATOM 0 HG13 VAL A 62 27.268 40.232 -19.897 1.00 61.44 H new ATOM 0 HG21 VAL A 62 27.463 37.402 -18.682 1.00 65.23 H new ATOM 0 HG22 VAL A 62 26.489 38.712 -17.973 1.00 65.23 H new ATOM 0 HG23 VAL A 62 25.728 37.155 -18.378 1.00 65.23 H new ATOM 887 N LYS A 63 23.451 37.782 -18.538 1.00 51.20 N ATOM 888 CA LYS A 63 22.445 36.806 -18.138 1.00 61.13 C ATOM 889 C LYS A 63 21.048 37.268 -18.538 1.00 22.53 C ATOM 890 O LYS A 63 20.246 36.483 -19.043 1.00 52.31 O ATOM 891 CB LYS A 63 22.504 36.573 -16.626 1.00 4.43 C ATOM 892 CG LYS A 63 21.716 35.359 -16.167 1.00 70.45 C ATOM 893 CD LYS A 63 21.475 35.385 -14.667 1.00 41.32 C ATOM 894 CE LYS A 63 20.270 36.243 -14.311 1.00 52.32 C ATOM 895 NZ LYS A 63 19.950 36.174 -12.858 1.00 0.34 N ATOM 0 H LYS A 63 23.925 38.242 -17.760 1.00 51.20 H new ATOM 0 HA LYS A 63 22.659 35.869 -18.653 1.00 61.13 H new ATOM 0 HB2 LYS A 63 23.545 36.455 -16.325 1.00 4.43 H new ATOM 0 HB3 LYS A 63 22.123 37.457 -16.115 1.00 4.43 H new ATOM 0 HG2 LYS A 63 20.760 35.326 -16.689 1.00 70.45 H new ATOM 0 HG3 LYS A 63 22.257 34.451 -16.434 1.00 70.45 H new ATOM 0 HD2 LYS A 63 21.319 34.369 -14.305 1.00 41.32 H new ATOM 0 HD3 LYS A 63 22.360 35.771 -14.162 1.00 41.32 H new ATOM 0 HE2 LYS A 63 20.466 37.278 -14.591 1.00 52.32 H new ATOM 0 HE3 LYS A 63 19.406 35.914 -14.889 1.00 52.32 H new ATOM 0 HZ1 LYS A 63 19.123 36.772 -12.656 1.00 0.34 H new ATOM 0 HZ2 LYS A 63 19.738 35.190 -12.595 1.00 0.34 H new ATOM 0 HZ3 LYS A 63 20.765 36.512 -12.307 1.00 0.34 H new ATOM 909 N ASN A 64 20.765 38.546 -18.312 1.00 70.24 N ATOM 910 CA ASN A 64 19.465 39.113 -18.650 1.00 25.23 C ATOM 911 C ASN A 64 19.246 39.108 -20.160 1.00 45.11 C ATOM 912 O ASN A 64 18.108 39.096 -20.634 1.00 54.12 O ATOM 913 CB ASN A 64 19.351 40.541 -18.112 1.00 22.12 C ATOM 914 CG ASN A 64 19.657 40.625 -16.629 1.00 0.33 C ATOM 915 OD1 ASN A 64 20.388 41.510 -16.185 1.00 72.03 O ATOM 916 ND2 ASN A 64 19.097 39.703 -15.856 1.00 44.31 N ATOM 0 H ASN A 64 21.419 39.209 -17.896 1.00 70.24 H new ATOM 0 HA ASN A 64 18.696 38.495 -18.186 1.00 25.23 H new ATOM 0 HB2 ASN A 64 20.036 41.188 -18.659 1.00 22.12 H new ATOM 0 HB3 ASN A 64 18.344 40.916 -18.294 1.00 22.12 H new ATOM 0 HD21 ASN A 64 19.266 39.710 -14.850 1.00 44.31 H new ATOM 0 HD22 ASN A 64 18.498 38.988 -16.268 1.00 44.31 H new ATOM 923 N LEU A 65 20.342 39.115 -20.911 1.00 3.41 N ATOM 924 CA LEU A 65 20.270 39.111 -22.368 1.00 15.24 C ATOM 925 C LEU A 65 20.433 37.697 -22.917 1.00 5.43 C ATOM 926 O LEU A 65 19.524 37.200 -23.580 1.00 12.32 O ATOM 927 CB LEU A 65 21.348 40.025 -22.954 1.00 61.44 C ATOM 928 CG LEU A 65 21.677 39.812 -24.432 1.00 13.42 C ATOM 929 CD1 LEU A 65 20.408 39.840 -25.270 1.00 31.30 C ATOM 930 CD2 LEU A 65 22.661 40.868 -24.916 1.00 10.20 C ATOM 0 H LEU A 65 21.290 39.123 -20.535 1.00 3.41 H new ATOM 0 HA LEU A 65 19.288 39.484 -22.660 1.00 15.24 H new ATOM 0 HB2 LEU A 65 21.032 41.059 -22.818 1.00 61.44 H new ATOM 0 HB3 LEU A 65 22.262 39.892 -22.376 1.00 61.44 H new ATOM 0 HG LEU A 65 22.141 38.832 -24.544 1.00 13.42 H new ATOM 0 HD11 LEU A 65 20.661 39.687 -26.319 1.00 31.30 H new ATOM 0 HD12 LEU A 65 19.736 39.048 -24.939 1.00 31.30 H new ATOM 0 HD13 LEU A 65 19.916 40.805 -25.153 1.00 31.30 H new ATOM 0 HD21 LEU A 65 22.884 40.702 -25.970 1.00 10.20 H new ATOM 0 HD22 LEU A 65 22.223 41.858 -24.790 1.00 10.20 H new ATOM 0 HD23 LEU A 65 23.581 40.801 -24.335 1.00 10.20 H new TER 942 LEU A 65