USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 THR OG1 : rot -53:sc= 0.484 USER MOD Set 1.2: A 46 ASN : amide:sc= -0.208! K(o=0.28!,f=-0.62) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= -0.755! (180deg=-1.49) USER MOD Single : A 9 ASN : amide:sc= -0.0753 X(o=-0.075,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 14:sc= -0.116 USER MOD Single : A 15 ASN : amide:sc= -0.395 K(o=-0.39,f=-3.2) USER MOD Single : A 16 GLN : amide:sc= -3.31! C(o=-3.3!,f=-5.2!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -45:sc= 0.0297! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= -0.143 (180deg=-0.143) USER MOD Single : A 26 SER OG : rot 180:sc= -0.731! USER MOD Single : A 27 SER OG : rot -175:sc= 0.0472 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -167:sc= -0.0165 (180deg=-0.274) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.692 USER MOD Single : A 52 THR OG1 : rot -56:sc= 0.00604 USER MOD Single : A 56 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.00493) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.0014) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -4.48! C(o=-4.2!,f=-10!) USER MOD Single : A 62 HIS : no HE2:sc= -0.0429 K(o=-0.043,f=-0.56) USER MOD Single : A 63 HIS : no HD1:sc= -0.529 X(o=-0.53,f=-0.24) USER MOD Single : A 64 HIS : no HD1:sc= -0.277 X(o=-0.28,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 52.962 -19.129 -43.899 1.00 1.00 N ATOM 2 CA MET A 1 51.662 -18.527 -44.309 1.00 1.00 C ATOM 3 C MET A 1 51.376 -17.304 -43.445 1.00 1.00 C ATOM 4 O MET A 1 50.342 -16.653 -43.596 1.00 1.00 O ATOM 5 CB MET A 1 50.547 -19.562 -44.135 1.00 1.00 C ATOM 6 CG MET A 1 50.699 -20.253 -42.778 1.00 1.00 C ATOM 7 SD MET A 1 51.699 -21.749 -42.972 1.00 1.00 S ATOM 8 CE MET A 1 52.144 -21.951 -41.230 1.00 1.00 C ATOM 0 H1 MET A 1 52.971 -20.138 -44.149 1.00 1.00 H new ATOM 0 H2 MET A 1 53.740 -18.643 -44.390 1.00 1.00 H new ATOM 0 H3 MET A 1 53.084 -19.026 -42.871 1.00 1.00 H new ATOM 0 HA MET A 1 51.709 -18.223 -45.355 1.00 1.00 H new ATOM 0 HB2 MET A 1 49.573 -19.077 -44.201 1.00 1.00 H new ATOM 0 HB3 MET A 1 50.592 -20.299 -44.937 1.00 1.00 H new ATOM 0 HG2 MET A 1 51.171 -19.577 -42.065 1.00 1.00 H new ATOM 0 HG3 MET A 1 49.719 -20.508 -42.376 1.00 1.00 H new ATOM 0 HE1 MET A 1 52.774 -22.833 -41.115 1.00 1.00 H new ATOM 0 HE2 MET A 1 52.688 -21.070 -40.889 1.00 1.00 H new ATOM 0 HE3 MET A 1 51.239 -22.072 -40.635 1.00 1.00 H new ATOM 20 N GLU A 2 52.300 -16.996 -42.540 1.00 1.00 N ATOM 21 CA GLU A 2 52.137 -15.846 -41.658 1.00 1.00 C ATOM 22 C GLU A 2 50.769 -15.878 -40.983 1.00 1.00 C ATOM 23 O GLU A 2 49.796 -15.336 -41.506 1.00 1.00 O ATOM 24 CB GLU A 2 52.284 -14.549 -42.456 1.00 1.00 C ATOM 25 CG GLU A 2 52.096 -13.351 -41.523 1.00 1.00 C ATOM 26 CD GLU A 2 53.213 -12.337 -41.747 1.00 1.00 C ATOM 27 OE1 GLU A 2 53.377 -11.906 -42.876 1.00 1.00 O ATOM 28 OE2 GLU A 2 53.888 -12.008 -40.785 1.00 1.00 O ATOM 0 H GLU A 2 53.162 -17.522 -42.399 1.00 1.00 H new ATOM 0 HA GLU A 2 52.910 -15.889 -40.891 1.00 1.00 H new ATOM 0 HB2 GLU A 2 53.267 -14.508 -42.925 1.00 1.00 H new ATOM 0 HB3 GLU A 2 51.547 -14.518 -43.258 1.00 1.00 H new ATOM 0 HG2 GLU A 2 51.128 -12.885 -41.706 1.00 1.00 H new ATOM 0 HG3 GLU A 2 52.098 -13.684 -40.485 1.00 1.00 H new ATOM 35 N GLU A 3 50.703 -16.518 -39.820 1.00 1.00 N ATOM 36 CA GLU A 3 49.449 -16.613 -39.083 1.00 1.00 C ATOM 37 C GLU A 3 48.803 -15.238 -38.943 1.00 1.00 C ATOM 38 O GLU A 3 47.623 -15.127 -38.609 1.00 1.00 O ATOM 39 CB GLU A 3 49.702 -17.204 -37.694 1.00 1.00 C ATOM 40 CG GLU A 3 51.017 -16.655 -37.138 1.00 1.00 C ATOM 41 CD GLU A 3 52.179 -17.540 -37.578 1.00 1.00 C ATOM 42 OE1 GLU A 3 52.012 -18.266 -38.542 1.00 1.00 O ATOM 43 OE2 GLU A 3 53.219 -17.477 -36.942 1.00 1.00 O ATOM 0 H GLU A 3 51.497 -16.975 -39.371 1.00 1.00 H new ATOM 0 HA GLU A 3 48.773 -17.264 -39.637 1.00 1.00 H new ATOM 0 HB2 GLU A 3 48.879 -16.953 -37.025 1.00 1.00 H new ATOM 0 HB3 GLU A 3 49.745 -18.292 -37.752 1.00 1.00 H new ATOM 0 HG2 GLU A 3 51.172 -15.635 -37.490 1.00 1.00 H new ATOM 0 HG3 GLU A 3 50.972 -16.614 -36.050 1.00 1.00 H new ATOM 50 N GLY A 4 49.585 -14.195 -39.201 1.00 1.00 N ATOM 51 CA GLY A 4 49.080 -12.830 -39.102 1.00 1.00 C ATOM 52 C GLY A 4 49.577 -12.155 -37.829 1.00 1.00 C ATOM 53 O GLY A 4 48.803 -11.903 -36.905 1.00 1.00 O ATOM 0 H GLY A 4 50.564 -14.267 -39.478 1.00 1.00 H new ATOM 0 HA2 GLY A 4 49.401 -12.256 -39.971 1.00 1.00 H new ATOM 0 HA3 GLY A 4 47.990 -12.840 -39.111 1.00 1.00 H new ATOM 57 N GLY A 5 50.873 -11.864 -37.787 1.00 1.00 N ATOM 58 CA GLY A 5 51.463 -11.217 -36.620 1.00 1.00 C ATOM 59 C GLY A 5 51.242 -9.709 -36.667 1.00 1.00 C ATOM 60 O GLY A 5 51.249 -9.105 -37.739 1.00 1.00 O ATOM 0 H GLY A 5 51.531 -12.064 -38.541 1.00 1.00 H new ATOM 0 HA2 GLY A 5 51.022 -11.625 -35.711 1.00 1.00 H new ATOM 0 HA3 GLY A 5 52.531 -11.431 -36.581 1.00 1.00 H new ATOM 64 N ASP A 6 51.046 -9.108 -35.498 1.00 1.00 N ATOM 65 CA ASP A 6 50.822 -7.669 -35.421 1.00 1.00 C ATOM 66 C ASP A 6 49.765 -7.239 -36.433 1.00 1.00 C ATOM 67 O ASP A 6 49.829 -6.139 -36.982 1.00 1.00 O ATOM 68 CB ASP A 6 52.128 -6.922 -35.694 1.00 1.00 C ATOM 69 CG ASP A 6 51.945 -5.433 -35.425 1.00 1.00 C ATOM 70 OD1 ASP A 6 51.326 -5.103 -34.425 1.00 1.00 O ATOM 71 OD2 ASP A 6 52.426 -4.643 -36.220 1.00 1.00 O ATOM 0 H ASP A 6 51.038 -9.590 -34.599 1.00 1.00 H new ATOM 0 HA ASP A 6 50.469 -7.427 -34.418 1.00 1.00 H new ATOM 0 HB2 ASP A 6 52.922 -7.319 -35.062 1.00 1.00 H new ATOM 0 HB3 ASP A 6 52.436 -7.078 -36.728 1.00 1.00 H new ATOM 76 N PHE A 7 48.796 -8.115 -36.675 1.00 1.00 N ATOM 77 CA PHE A 7 47.731 -7.818 -37.625 1.00 1.00 C ATOM 78 C PHE A 7 46.506 -8.683 -37.342 1.00 1.00 C ATOM 79 O PHE A 7 45.995 -9.362 -38.233 1.00 1.00 O ATOM 80 CB PHE A 7 48.220 -8.073 -39.052 1.00 1.00 C ATOM 81 CG PHE A 7 47.429 -7.223 -40.017 1.00 1.00 C ATOM 82 CD1 PHE A 7 47.707 -5.856 -40.135 1.00 1.00 C ATOM 83 CD2 PHE A 7 46.418 -7.801 -40.793 1.00 1.00 C ATOM 84 CE1 PHE A 7 46.975 -5.067 -41.031 1.00 1.00 C ATOM 85 CE2 PHE A 7 45.687 -7.013 -41.690 1.00 1.00 C ATOM 86 CZ PHE A 7 45.965 -5.646 -41.809 1.00 1.00 C ATOM 0 H PHE A 7 48.726 -9.030 -36.230 1.00 1.00 H new ATOM 0 HA PHE A 7 47.454 -6.769 -37.518 1.00 1.00 H new ATOM 0 HB2 PHE A 7 49.282 -7.839 -39.131 1.00 1.00 H new ATOM 0 HB3 PHE A 7 48.107 -9.128 -39.303 1.00 1.00 H new ATOM 0 HD1 PHE A 7 48.486 -5.410 -39.535 1.00 1.00 H new ATOM 0 HD2 PHE A 7 46.202 -8.855 -40.700 1.00 1.00 H new ATOM 0 HE1 PHE A 7 47.189 -4.012 -41.122 1.00 1.00 H new ATOM 0 HE2 PHE A 7 44.908 -7.460 -42.290 1.00 1.00 H new ATOM 0 HZ PHE A 7 45.401 -5.038 -42.501 1.00 1.00 H new ATOM 96 N ASP A 8 46.042 -8.652 -36.094 1.00 1.00 N ATOM 97 CA ASP A 8 44.877 -9.437 -35.697 1.00 1.00 C ATOM 98 C ASP A 8 43.848 -8.551 -35.000 1.00 1.00 C ATOM 99 O ASP A 8 43.246 -8.951 -34.005 1.00 1.00 O ATOM 100 CB ASP A 8 45.302 -10.563 -34.754 1.00 1.00 C ATOM 101 CG ASP A 8 46.008 -11.664 -35.539 1.00 1.00 C ATOM 102 OD1 ASP A 8 45.578 -11.944 -36.646 1.00 1.00 O ATOM 103 OD2 ASP A 8 46.965 -12.214 -35.020 1.00 1.00 O ATOM 0 H ASP A 8 46.453 -8.095 -35.345 1.00 1.00 H new ATOM 0 HA ASP A 8 44.428 -9.864 -36.593 1.00 1.00 H new ATOM 0 HB2 ASP A 8 45.966 -10.172 -33.983 1.00 1.00 H new ATOM 0 HB3 ASP A 8 44.429 -10.971 -34.245 1.00 1.00 H new ATOM 108 N ASN A 9 43.658 -7.347 -35.528 1.00 1.00 N ATOM 109 CA ASN A 9 42.708 -6.407 -34.953 1.00 1.00 C ATOM 110 C ASN A 9 43.320 -5.732 -33.737 1.00 1.00 C ATOM 111 O ASN A 9 42.997 -4.589 -33.415 1.00 1.00 O ATOM 112 CB ASN A 9 41.429 -7.138 -34.561 1.00 1.00 C ATOM 113 CG ASN A 9 40.227 -6.215 -34.726 1.00 1.00 C ATOM 114 OD1 ASN A 9 39.576 -5.860 -33.744 1.00 1.00 O ATOM 115 ND2 ASN A 9 39.892 -5.803 -35.919 1.00 1.00 N ATOM 0 H ASN A 9 44.149 -7.001 -36.352 1.00 1.00 H new ATOM 0 HA ASN A 9 42.466 -5.645 -35.694 1.00 1.00 H new ATOM 0 HB2 ASN A 9 41.304 -8.026 -35.181 1.00 1.00 H new ATOM 0 HB3 ASN A 9 41.497 -7.478 -33.528 1.00 1.00 H new ATOM 0 HD21 ASN A 9 39.089 -5.185 -36.038 1.00 1.00 H new ATOM 0 HD22 ASN A 9 40.433 -6.099 -36.731 1.00 1.00 H new ATOM 122 N TYR A 10 44.224 -6.446 -33.078 1.00 1.00 N ATOM 123 CA TYR A 10 44.901 -5.908 -31.911 1.00 1.00 C ATOM 124 C TYR A 10 46.171 -5.189 -32.348 1.00 1.00 C ATOM 125 O TYR A 10 46.872 -4.593 -31.530 1.00 1.00 O ATOM 126 CB TYR A 10 45.255 -7.036 -30.939 1.00 1.00 C ATOM 127 CG TYR A 10 43.989 -7.711 -30.468 1.00 1.00 C ATOM 128 CD1 TYR A 10 43.096 -7.021 -29.639 1.00 1.00 C ATOM 129 CD2 TYR A 10 43.709 -9.026 -30.858 1.00 1.00 C ATOM 130 CE1 TYR A 10 41.923 -7.646 -29.201 1.00 1.00 C ATOM 131 CE2 TYR A 10 42.535 -9.651 -30.419 1.00 1.00 C ATOM 132 CZ TYR A 10 41.641 -8.961 -29.591 1.00 1.00 C ATOM 133 OH TYR A 10 40.485 -9.576 -29.158 1.00 1.00 O ATOM 0 H TYR A 10 44.502 -7.394 -33.332 1.00 1.00 H new ATOM 0 HA TYR A 10 44.238 -5.205 -31.407 1.00 1.00 H new ATOM 0 HB2 TYR A 10 45.906 -7.761 -31.428 1.00 1.00 H new ATOM 0 HB3 TYR A 10 45.806 -6.637 -30.087 1.00 1.00 H new ATOM 0 HD1 TYR A 10 43.312 -6.007 -29.338 1.00 1.00 H new ATOM 0 HD2 TYR A 10 44.398 -9.558 -31.497 1.00 1.00 H new ATOM 0 HE1 TYR A 10 41.235 -7.114 -28.562 1.00 1.00 H new ATOM 0 HE2 TYR A 10 42.319 -10.666 -30.719 1.00 1.00 H new ATOM 0 HH TYR A 10 40.443 -10.485 -29.521 1.00 1.00 H new ATOM 143 N TYR A 11 46.454 -5.254 -33.650 1.00 1.00 N ATOM 144 CA TYR A 11 47.642 -4.608 -34.203 1.00 1.00 C ATOM 145 C TYR A 11 48.824 -4.738 -33.249 1.00 1.00 C ATOM 146 O TYR A 11 49.595 -3.796 -33.067 1.00 1.00 O ATOM 147 CB TYR A 11 47.361 -3.129 -34.474 1.00 1.00 C ATOM 148 CG TYR A 11 46.646 -2.522 -33.291 1.00 1.00 C ATOM 149 CD1 TYR A 11 45.249 -2.575 -33.216 1.00 1.00 C ATOM 150 CD2 TYR A 11 47.379 -1.907 -32.269 1.00 1.00 C ATOM 151 CE1 TYR A 11 44.586 -2.012 -32.119 1.00 1.00 C ATOM 152 CE2 TYR A 11 46.716 -1.344 -31.173 1.00 1.00 C ATOM 153 CZ TYR A 11 45.319 -1.396 -31.097 1.00 1.00 C ATOM 154 OH TYR A 11 44.664 -0.842 -30.016 1.00 1.00 O ATOM 0 H TYR A 11 45.880 -5.744 -34.336 1.00 1.00 H new ATOM 0 HA TYR A 11 47.893 -5.106 -35.140 1.00 1.00 H new ATOM 0 HB2 TYR A 11 48.296 -2.599 -34.657 1.00 1.00 H new ATOM 0 HB3 TYR A 11 46.753 -3.023 -35.372 1.00 1.00 H new ATOM 0 HD1 TYR A 11 44.683 -3.050 -34.004 1.00 1.00 H new ATOM 0 HD2 TYR A 11 48.457 -1.867 -32.327 1.00 1.00 H new ATOM 0 HE1 TYR A 11 43.508 -2.053 -32.061 1.00 1.00 H new ATOM 0 HE2 TYR A 11 47.282 -0.869 -30.385 1.00 1.00 H new ATOM 0 HH TYR A 11 43.735 -1.153 -30.002 1.00 1.00 H new ATOM 164 N GLY A 12 48.959 -5.913 -32.646 1.00 1.00 N ATOM 165 CA GLY A 12 50.050 -6.163 -31.710 1.00 1.00 C ATOM 166 C GLY A 12 49.544 -6.880 -30.464 1.00 1.00 C ATOM 167 O GLY A 12 49.851 -8.051 -30.242 1.00 1.00 O ATOM 0 H GLY A 12 48.331 -6.704 -32.787 1.00 1.00 H new ATOM 0 HA2 GLY A 12 50.819 -6.765 -32.194 1.00 1.00 H new ATOM 0 HA3 GLY A 12 50.516 -5.219 -31.427 1.00 1.00 H new ATOM 171 N ALA A 13 48.767 -6.169 -29.652 1.00 1.00 N ATOM 172 CA ALA A 13 48.224 -6.748 -28.429 1.00 1.00 C ATOM 173 C ALA A 13 47.087 -5.887 -27.888 1.00 1.00 C ATOM 174 O ALA A 13 46.108 -6.402 -27.348 1.00 1.00 O ATOM 175 CB ALA A 13 49.325 -6.866 -27.373 1.00 1.00 C ATOM 0 H ALA A 13 48.501 -5.198 -29.817 1.00 1.00 H new ATOM 0 HA ALA A 13 47.835 -7.740 -28.660 1.00 1.00 H new ATOM 0 HB1 ALA A 13 48.911 -7.299 -26.463 1.00 1.00 H new ATOM 0 HB2 ALA A 13 50.123 -7.506 -27.749 1.00 1.00 H new ATOM 0 HB3 ALA A 13 49.726 -5.877 -27.154 1.00 1.00 H new ATOM 181 N ASP A 14 47.224 -4.574 -28.037 1.00 1.00 N ATOM 182 CA ASP A 14 46.202 -3.650 -27.560 1.00 1.00 C ATOM 183 C ASP A 14 46.092 -3.710 -26.040 1.00 1.00 C ATOM 184 O ASP A 14 45.252 -3.037 -25.442 1.00 1.00 O ATOM 185 CB ASP A 14 44.850 -3.999 -28.185 1.00 1.00 C ATOM 186 CG ASP A 14 43.942 -2.773 -28.183 1.00 1.00 C ATOM 187 OD1 ASP A 14 43.969 -2.043 -27.205 1.00 1.00 O ATOM 188 OD2 ASP A 14 43.234 -2.583 -29.157 1.00 1.00 O ATOM 0 H ASP A 14 48.027 -4.128 -28.481 1.00 1.00 H new ATOM 0 HA ASP A 14 46.488 -2.640 -27.853 1.00 1.00 H new ATOM 0 HB2 ASP A 14 44.993 -4.354 -29.206 1.00 1.00 H new ATOM 0 HB3 ASP A 14 44.381 -4.810 -27.628 1.00 1.00 H new ATOM 193 N ASN A 15 46.945 -4.519 -25.421 1.00 1.00 N ATOM 194 CA ASN A 15 46.935 -4.658 -23.969 1.00 1.00 C ATOM 195 C ASN A 15 45.508 -4.843 -23.460 1.00 1.00 C ATOM 196 O ASN A 15 44.786 -3.871 -23.237 1.00 1.00 O ATOM 197 CB ASN A 15 47.554 -3.418 -23.321 1.00 1.00 C ATOM 198 CG ASN A 15 48.096 -3.766 -21.939 1.00 1.00 C ATOM 199 OD1 ASN A 15 49.050 -4.535 -21.821 1.00 1.00 O ATOM 200 ND2 ASN A 15 47.540 -3.244 -20.880 1.00 1.00 N ATOM 0 H ASN A 15 47.647 -5.085 -25.898 1.00 1.00 H new ATOM 0 HA ASN A 15 47.522 -5.537 -23.702 1.00 1.00 H new ATOM 0 HB2 ASN A 15 48.357 -3.032 -23.949 1.00 1.00 H new ATOM 0 HB3 ASN A 15 46.806 -2.629 -23.239 1.00 1.00 H new ATOM 0 HD21 ASN A 15 47.896 -3.473 -19.952 1.00 1.00 H new ATOM 0 HD22 ASN A 15 46.750 -2.607 -20.980 1.00 1.00 H new ATOM 207 N GLN A 16 45.108 -6.098 -23.280 1.00 1.00 N ATOM 208 CA GLN A 16 43.765 -6.401 -22.798 1.00 1.00 C ATOM 209 C GLN A 16 43.797 -6.778 -21.320 1.00 1.00 C ATOM 210 O GLN A 16 43.002 -6.276 -20.526 1.00 1.00 O ATOM 211 CB GLN A 16 43.168 -7.553 -23.607 1.00 1.00 C ATOM 212 CG GLN A 16 42.855 -7.073 -25.027 1.00 1.00 C ATOM 213 CD GLN A 16 43.321 -8.111 -26.043 1.00 1.00 C ATOM 214 OE1 GLN A 16 42.517 -8.620 -26.822 1.00 1.00 O ATOM 215 NE2 GLN A 16 44.579 -8.456 -26.079 1.00 1.00 N ATOM 0 H GLN A 16 45.690 -6.916 -23.459 1.00 1.00 H new ATOM 0 HA GLN A 16 43.147 -5.512 -22.921 1.00 1.00 H new ATOM 0 HB2 GLN A 16 43.867 -8.388 -23.640 1.00 1.00 H new ATOM 0 HB3 GLN A 16 42.260 -7.916 -23.126 1.00 1.00 H new ATOM 0 HG2 GLN A 16 41.784 -6.902 -25.134 1.00 1.00 H new ATOM 0 HG3 GLN A 16 43.350 -6.120 -25.215 1.00 1.00 H new ATOM 0 HE21 GLN A 16 45.243 -8.032 -25.431 1.00 1.00 H new ATOM 0 HE22 GLN A 16 44.898 -9.150 -26.755 1.00 1.00 H new ATOM 224 N SER A 17 44.718 -7.668 -20.962 1.00 1.00 N ATOM 225 CA SER A 17 44.847 -8.111 -19.577 1.00 1.00 C ATOM 226 C SER A 17 46.300 -8.031 -19.119 1.00 1.00 C ATOM 227 O SER A 17 46.578 -7.800 -17.942 1.00 1.00 O ATOM 228 CB SER A 17 44.347 -9.550 -19.442 1.00 1.00 C ATOM 229 OG SER A 17 44.610 -10.253 -20.648 1.00 1.00 O ATOM 0 H SER A 17 45.383 -8.095 -21.607 1.00 1.00 H new ATOM 0 HA SER A 17 44.245 -7.455 -18.949 1.00 1.00 H new ATOM 0 HB2 SER A 17 44.842 -10.042 -18.605 1.00 1.00 H new ATOM 0 HB3 SER A 17 43.278 -9.557 -19.229 1.00 1.00 H new ATOM 0 HG SER A 17 44.292 -11.176 -20.564 1.00 1.00 H new ATOM 235 N GLU A 18 47.223 -8.225 -20.055 1.00 1.00 N ATOM 236 CA GLU A 18 48.645 -8.172 -19.733 1.00 1.00 C ATOM 237 C GLU A 18 48.936 -8.965 -18.462 1.00 1.00 C ATOM 238 O GLU A 18 48.266 -9.956 -18.171 1.00 1.00 O ATOM 239 CB GLU A 18 49.081 -6.719 -19.542 1.00 1.00 C ATOM 240 CG GLU A 18 50.537 -6.559 -19.980 1.00 1.00 C ATOM 241 CD GLU A 18 51.159 -5.349 -19.290 1.00 1.00 C ATOM 242 OE1 GLU A 18 51.077 -4.267 -19.847 1.00 1.00 O ATOM 243 OE2 GLU A 18 51.708 -5.523 -18.215 1.00 1.00 O ATOM 0 H GLU A 18 47.015 -8.419 -21.035 1.00 1.00 H new ATOM 0 HA GLU A 18 49.204 -8.614 -20.558 1.00 1.00 H new ATOM 0 HB2 GLU A 18 48.441 -6.057 -20.125 1.00 1.00 H new ATOM 0 HB3 GLU A 18 48.971 -6.430 -18.497 1.00 1.00 H new ATOM 0 HG2 GLU A 18 51.101 -7.459 -19.733 1.00 1.00 H new ATOM 0 HG3 GLU A 18 50.589 -6.438 -21.062 1.00 1.00 H new ATOM 250 N CYS A 19 49.938 -8.522 -17.711 1.00 1.00 N ATOM 251 CA CYS A 19 50.310 -9.199 -16.473 1.00 1.00 C ATOM 252 C CYS A 19 50.703 -10.647 -16.751 1.00 1.00 C ATOM 253 O CYS A 19 50.854 -11.446 -15.828 1.00 1.00 O ATOM 254 CB CYS A 19 49.139 -9.165 -15.489 1.00 1.00 C ATOM 255 SG CYS A 19 49.636 -8.282 -13.990 1.00 1.00 S ATOM 0 H CYS A 19 50.504 -7.703 -17.935 1.00 1.00 H new ATOM 0 HA CYS A 19 51.165 -8.680 -16.039 1.00 1.00 H new ATOM 0 HB2 CYS A 19 48.280 -8.673 -15.946 1.00 1.00 H new ATOM 0 HB3 CYS A 19 48.830 -10.180 -15.240 1.00 1.00 H new ATOM 0 HG CYS A 19 48.641 -8.251 -13.155 1.00 1.00 H new ATOM 261 N GLU A 20 50.867 -10.976 -18.028 1.00 1.00 N ATOM 262 CA GLU A 20 51.242 -12.330 -18.415 1.00 1.00 C ATOM 263 C GLU A 20 52.755 -12.438 -18.587 1.00 1.00 C ATOM 264 O GLU A 20 53.259 -13.423 -19.127 1.00 1.00 O ATOM 265 CB GLU A 20 50.550 -12.710 -19.725 1.00 1.00 C ATOM 266 CG GLU A 20 49.238 -13.435 -19.417 1.00 1.00 C ATOM 267 CD GLU A 20 48.494 -13.740 -20.713 1.00 1.00 C ATOM 268 OE1 GLU A 20 49.014 -13.403 -21.764 1.00 1.00 O ATOM 269 OE2 GLU A 20 47.416 -14.306 -20.636 1.00 1.00 O ATOM 0 H GLU A 20 50.747 -10.329 -18.807 1.00 1.00 H new ATOM 0 HA GLU A 20 50.927 -13.013 -17.627 1.00 1.00 H new ATOM 0 HB2 GLU A 20 50.354 -11.816 -20.318 1.00 1.00 H new ATOM 0 HB3 GLU A 20 51.201 -13.351 -20.320 1.00 1.00 H new ATOM 0 HG2 GLU A 20 49.442 -14.361 -18.879 1.00 1.00 H new ATOM 0 HG3 GLU A 20 48.616 -12.819 -18.767 1.00 1.00 H new ATOM 276 N TYR A 21 53.471 -11.419 -18.125 1.00 1.00 N ATOM 277 CA TYR A 21 54.926 -11.409 -18.233 1.00 1.00 C ATOM 278 C TYR A 21 55.536 -12.484 -17.340 1.00 1.00 C ATOM 279 O TYR A 21 55.823 -13.592 -17.792 1.00 1.00 O ATOM 280 CB TYR A 21 55.470 -10.037 -17.830 1.00 1.00 C ATOM 281 CG TYR A 21 55.415 -9.105 -19.016 1.00 1.00 C ATOM 282 CD1 TYR A 21 56.324 -9.257 -20.070 1.00 1.00 C ATOM 283 CD2 TYR A 21 54.454 -8.087 -19.063 1.00 1.00 C ATOM 284 CE1 TYR A 21 56.273 -8.392 -21.170 1.00 1.00 C ATOM 285 CE2 TYR A 21 54.403 -7.223 -20.162 1.00 1.00 C ATOM 286 CZ TYR A 21 55.312 -7.375 -21.216 1.00 1.00 C ATOM 287 OH TYR A 21 55.262 -6.522 -22.300 1.00 1.00 O ATOM 0 H TYR A 21 53.072 -10.595 -17.675 1.00 1.00 H new ATOM 0 HA TYR A 21 55.197 -11.616 -19.268 1.00 1.00 H new ATOM 0 HB2 TYR A 21 54.884 -9.629 -17.006 1.00 1.00 H new ATOM 0 HB3 TYR A 21 56.496 -10.131 -17.475 1.00 1.00 H new ATOM 0 HD1 TYR A 21 57.065 -10.042 -20.035 1.00 1.00 H new ATOM 0 HD2 TYR A 21 53.752 -7.969 -18.251 1.00 1.00 H new ATOM 0 HE1 TYR A 21 56.975 -8.509 -21.983 1.00 1.00 H new ATOM 0 HE2 TYR A 21 53.662 -6.438 -20.197 1.00 1.00 H new ATOM 0 HH TYR A 21 54.537 -5.875 -22.174 1.00 1.00 H new ATOM 297 N THR A 22 55.733 -12.148 -16.069 1.00 1.00 N ATOM 298 CA THR A 22 56.312 -13.093 -15.121 1.00 1.00 C ATOM 299 C THR A 22 56.159 -12.579 -13.693 1.00 1.00 C ATOM 300 O THR A 22 57.092 -12.653 -12.894 1.00 1.00 O ATOM 301 CB THR A 22 57.795 -13.305 -15.433 1.00 1.00 C ATOM 302 OG1 THR A 22 57.981 -13.332 -16.842 1.00 1.00 O ATOM 303 CG2 THR A 22 58.261 -14.630 -14.829 1.00 1.00 C ATOM 0 H THR A 22 55.502 -11.236 -15.674 1.00 1.00 H new ATOM 0 HA THR A 22 55.783 -14.042 -15.213 1.00 1.00 H new ATOM 0 HB THR A 22 58.377 -12.489 -15.005 1.00 1.00 H new ATOM 0 HG1 THR A 22 57.294 -13.898 -17.252 1.00 1.00 H new ATOM 0 HG21 THR A 22 59.317 -14.780 -15.052 1.00 1.00 H new ATOM 0 HG22 THR A 22 58.118 -14.608 -13.749 1.00 1.00 H new ATOM 0 HG23 THR A 22 57.681 -15.448 -15.255 1.00 1.00 H new ATOM 311 N ASP A 23 54.977 -12.060 -13.379 1.00 1.00 N ATOM 312 CA ASP A 23 54.713 -11.536 -12.044 1.00 1.00 C ATOM 313 C ASP A 23 53.328 -11.961 -11.566 1.00 1.00 C ATOM 314 O ASP A 23 52.862 -11.520 -10.515 1.00 1.00 O ATOM 315 CB ASP A 23 54.805 -10.009 -12.053 1.00 1.00 C ATOM 316 CG ASP A 23 56.264 -9.574 -12.156 1.00 1.00 C ATOM 317 OD1 ASP A 23 57.008 -10.231 -12.865 1.00 1.00 O ATOM 318 OD2 ASP A 23 56.613 -8.591 -11.526 1.00 1.00 O ATOM 0 H ASP A 23 54.191 -11.991 -14.026 1.00 1.00 H new ATOM 0 HA ASP A 23 55.461 -11.940 -11.362 1.00 1.00 H new ATOM 0 HB2 ASP A 23 54.237 -9.607 -12.892 1.00 1.00 H new ATOM 0 HB3 ASP A 23 54.360 -9.604 -11.144 1.00 1.00 H new ATOM 323 N TRP A 24 52.676 -12.817 -12.343 1.00 1.00 N ATOM 324 CA TRP A 24 51.344 -13.295 -11.989 1.00 1.00 C ATOM 325 C TRP A 24 51.417 -14.700 -11.399 1.00 1.00 C ATOM 326 O TRP A 24 50.392 -15.307 -11.089 1.00 1.00 O ATOM 327 CB TRP A 24 50.447 -13.306 -13.228 1.00 1.00 C ATOM 328 CG TRP A 24 50.979 -14.290 -14.221 1.00 1.00 C ATOM 329 CD1 TRP A 24 52.093 -14.114 -14.968 1.00 1.00 C ATOM 330 CD2 TRP A 24 50.442 -15.595 -14.586 1.00 1.00 C ATOM 331 NE1 TRP A 24 52.274 -15.227 -15.769 1.00 1.00 N ATOM 332 CE2 TRP A 24 51.283 -16.168 -15.570 1.00 1.00 C ATOM 333 CE3 TRP A 24 49.320 -16.329 -14.164 1.00 1.00 C ATOM 334 CZ2 TRP A 24 51.019 -17.424 -16.114 1.00 1.00 C ATOM 335 CZ3 TRP A 24 49.051 -17.594 -14.711 1.00 1.00 C ATOM 336 CH2 TRP A 24 49.899 -18.141 -15.685 1.00 1.00 C ATOM 0 H TRP A 24 53.044 -13.193 -13.217 1.00 1.00 H new ATOM 0 HA TRP A 24 50.924 -12.621 -11.242 1.00 1.00 H new ATOM 0 HB2 TRP A 24 49.427 -13.570 -12.949 1.00 1.00 H new ATOM 0 HB3 TRP A 24 50.409 -12.311 -13.671 1.00 1.00 H new ATOM 0 HD1 TRP A 24 52.736 -13.246 -14.943 1.00 1.00 H new ATOM 0 HE1 TRP A 24 53.046 -15.339 -16.427 1.00 1.00 H new ATOM 0 HE3 TRP A 24 48.661 -15.917 -13.414 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 51.676 -17.841 -16.863 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 48.186 -18.149 -14.380 1.00 1.00 H new ATOM 0 HH2 TRP A 24 49.687 -19.114 -16.103 1.00 1.00 H new ATOM 347 N LYS A 25 52.634 -15.209 -11.245 1.00 1.00 N ATOM 348 CA LYS A 25 52.828 -16.545 -10.690 1.00 1.00 C ATOM 349 C LYS A 25 54.088 -16.593 -9.833 1.00 1.00 C ATOM 350 O LYS A 25 54.529 -17.666 -9.421 1.00 1.00 O ATOM 351 CB LYS A 25 52.928 -17.589 -11.812 1.00 1.00 C ATOM 352 CG LYS A 25 53.437 -16.946 -13.112 1.00 1.00 C ATOM 353 CD LYS A 25 54.846 -16.369 -12.910 1.00 1.00 C ATOM 354 CE LYS A 25 55.821 -17.489 -12.535 1.00 1.00 C ATOM 355 NZ LYS A 25 57.172 -17.172 -13.077 1.00 1.00 N ATOM 0 H LYS A 25 53.495 -14.722 -11.494 1.00 1.00 H new ATOM 0 HA LYS A 25 51.965 -16.777 -10.066 1.00 1.00 H new ATOM 0 HB2 LYS A 25 53.601 -18.391 -11.510 1.00 1.00 H new ATOM 0 HB3 LYS A 25 51.951 -18.041 -11.983 1.00 1.00 H new ATOM 0 HG2 LYS A 25 53.452 -17.688 -13.910 1.00 1.00 H new ATOM 0 HG3 LYS A 25 52.755 -16.155 -13.425 1.00 1.00 H new ATOM 0 HD2 LYS A 25 55.180 -15.875 -13.822 1.00 1.00 H new ATOM 0 HD3 LYS A 25 54.829 -15.612 -12.126 1.00 1.00 H new ATOM 0 HE2 LYS A 25 55.868 -17.597 -11.451 1.00 1.00 H new ATOM 0 HE3 LYS A 25 55.471 -18.440 -12.935 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 57.835 -17.932 -12.823 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 57.120 -17.090 -14.112 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 57.505 -16.273 -12.674 1.00 1.00 H new ATOM 369 N SER A 26 54.663 -15.423 -9.569 1.00 1.00 N ATOM 370 CA SER A 26 55.874 -15.339 -8.760 1.00 1.00 C ATOM 371 C SER A 26 55.749 -14.229 -7.723 1.00 1.00 C ATOM 372 O SER A 26 55.575 -14.495 -6.533 1.00 1.00 O ATOM 373 CB SER A 26 57.081 -15.066 -9.658 1.00 1.00 C ATOM 374 OG SER A 26 57.912 -14.090 -9.043 1.00 1.00 O ATOM 0 H SER A 26 54.312 -14.525 -9.902 1.00 1.00 H new ATOM 0 HA SER A 26 56.011 -16.289 -8.244 1.00 1.00 H new ATOM 0 HB2 SER A 26 57.642 -15.986 -9.823 1.00 1.00 H new ATOM 0 HB3 SER A 26 56.750 -14.715 -10.635 1.00 1.00 H new ATOM 0 HG SER A 26 58.688 -13.914 -9.615 1.00 1.00 H new ATOM 380 N SER A 27 55.837 -12.985 -8.180 1.00 1.00 N ATOM 381 CA SER A 27 55.731 -11.842 -7.281 1.00 1.00 C ATOM 382 C SER A 27 54.270 -11.460 -7.071 1.00 1.00 C ATOM 383 O SER A 27 53.923 -10.279 -7.047 1.00 1.00 O ATOM 384 CB SER A 27 56.493 -10.650 -7.861 1.00 1.00 C ATOM 385 OG SER A 27 55.926 -10.294 -9.115 1.00 1.00 O ATOM 0 H SER A 27 55.980 -12.743 -9.160 1.00 1.00 H new ATOM 0 HA SER A 27 56.165 -12.118 -6.320 1.00 1.00 H new ATOM 0 HB2 SER A 27 56.445 -9.805 -7.175 1.00 1.00 H new ATOM 0 HB3 SER A 27 57.546 -10.902 -7.984 1.00 1.00 H new ATOM 0 HG SER A 27 56.459 -9.580 -9.524 1.00 1.00 H new ATOM 391 N GLY A 28 53.417 -12.468 -6.920 1.00 1.00 N ATOM 392 CA GLY A 28 51.993 -12.226 -6.713 1.00 1.00 C ATOM 393 C GLY A 28 51.275 -13.512 -6.315 1.00 1.00 C ATOM 394 O GLY A 28 50.141 -13.754 -6.725 1.00 1.00 O ATOM 0 H GLY A 28 53.683 -13.452 -6.937 1.00 1.00 H new ATOM 0 HA2 GLY A 28 51.857 -11.473 -5.936 1.00 1.00 H new ATOM 0 HA3 GLY A 28 51.552 -11.826 -7.626 1.00 1.00 H new ATOM 398 N ALA A 29 51.945 -14.332 -5.513 1.00 1.00 N ATOM 399 CA ALA A 29 51.361 -15.592 -5.065 1.00 1.00 C ATOM 400 C ALA A 29 51.657 -15.824 -3.587 1.00 1.00 C ATOM 401 O ALA A 29 51.037 -16.672 -2.946 1.00 1.00 O ATOM 402 CB ALA A 29 51.925 -16.751 -5.888 1.00 1.00 C ATOM 0 H ALA A 29 52.885 -14.150 -5.162 1.00 1.00 H new ATOM 0 HA ALA A 29 50.281 -15.540 -5.204 1.00 1.00 H new ATOM 0 HB1 ALA A 29 51.484 -17.688 -5.547 1.00 1.00 H new ATOM 0 HB2 ALA A 29 51.687 -16.600 -6.941 1.00 1.00 H new ATOM 0 HB3 ALA A 29 53.007 -16.793 -5.763 1.00 1.00 H new ATOM 408 N LEU A 30 52.610 -15.066 -3.053 1.00 1.00 N ATOM 409 CA LEU A 30 52.981 -15.197 -1.648 1.00 1.00 C ATOM 410 C LEU A 30 53.162 -13.823 -1.009 1.00 1.00 C ATOM 411 O LEU A 30 53.191 -13.698 0.215 1.00 1.00 O ATOM 412 CB LEU A 30 54.279 -15.998 -1.520 1.00 1.00 C ATOM 413 CG LEU A 30 55.222 -15.633 -2.669 1.00 1.00 C ATOM 414 CD1 LEU A 30 56.667 -15.652 -2.167 1.00 1.00 C ATOM 415 CD2 LEU A 30 55.064 -16.653 -3.800 1.00 1.00 C ATOM 0 H LEU A 30 53.136 -14.360 -3.567 1.00 1.00 H new ATOM 0 HA LEU A 30 52.179 -15.722 -1.129 1.00 1.00 H new ATOM 0 HB2 LEU A 30 54.756 -15.786 -0.563 1.00 1.00 H new ATOM 0 HB3 LEU A 30 54.063 -17.066 -1.539 1.00 1.00 H new ATOM 0 HG LEU A 30 54.977 -14.637 -3.038 1.00 1.00 H new ATOM 0 HD11 LEU A 30 57.340 -15.392 -2.984 1.00 1.00 H new ATOM 0 HD12 LEU A 30 56.781 -14.929 -1.359 1.00 1.00 H new ATOM 0 HD13 LEU A 30 56.911 -16.648 -1.799 1.00 1.00 H new ATOM 0 HD21 LEU A 30 55.735 -16.395 -4.619 1.00 1.00 H new ATOM 0 HD22 LEU A 30 55.310 -17.648 -3.430 1.00 1.00 H new ATOM 0 HD23 LEU A 30 54.034 -16.643 -4.157 1.00 1.00 H new ATOM 427 N ILE A 31 53.281 -12.797 -1.847 1.00 1.00 N ATOM 428 CA ILE A 31 53.457 -11.438 -1.350 1.00 1.00 C ATOM 429 C ILE A 31 52.120 -10.845 -0.893 1.00 1.00 C ATOM 430 O ILE A 31 52.063 -10.159 0.127 1.00 1.00 O ATOM 431 CB ILE A 31 54.110 -10.565 -2.440 1.00 1.00 C ATOM 432 CG1 ILE A 31 55.589 -10.366 -2.102 1.00 1.00 C ATOM 433 CG2 ILE A 31 53.433 -9.189 -2.532 1.00 1.00 C ATOM 434 CD1 ILE A 31 56.275 -11.729 -1.989 1.00 1.00 C ATOM 0 H ILE A 31 53.259 -12.880 -2.863 1.00 1.00 H new ATOM 0 HA ILE A 31 54.116 -11.462 -0.482 1.00 1.00 H new ATOM 0 HB ILE A 31 53.997 -11.072 -3.398 1.00 1.00 H new ATOM 0 HG12 ILE A 31 56.072 -9.767 -2.874 1.00 1.00 H new ATOM 0 HG13 ILE A 31 55.688 -9.818 -1.165 1.00 1.00 H new ATOM 0 HG21 ILE A 31 53.916 -8.597 -3.309 1.00 1.00 H new ATOM 0 HG22 ILE A 31 52.379 -9.318 -2.776 1.00 1.00 H new ATOM 0 HG23 ILE A 31 53.523 -8.674 -1.575 1.00 1.00 H new ATOM 0 HD11 ILE A 31 57.329 -11.587 -1.748 1.00 1.00 H new ATOM 0 HD12 ILE A 31 55.798 -12.312 -1.201 1.00 1.00 H new ATOM 0 HD13 ILE A 31 56.188 -12.260 -2.937 1.00 1.00 H new ATOM 446 N PRO A 32 51.051 -11.086 -1.616 1.00 1.00 N ATOM 447 CA PRO A 32 49.712 -10.554 -1.260 1.00 1.00 C ATOM 448 C PRO A 32 48.964 -11.472 -0.296 1.00 1.00 C ATOM 449 O PRO A 32 47.734 -11.466 -0.248 1.00 1.00 O ATOM 450 CB PRO A 32 49.001 -10.476 -2.609 1.00 1.00 C ATOM 451 CG PRO A 32 49.622 -11.545 -3.456 1.00 1.00 C ATOM 452 CD PRO A 32 50.990 -11.886 -2.848 1.00 1.00 C ATOM 0 HA PRO A 32 49.768 -9.597 -0.742 1.00 1.00 H new ATOM 0 HB2 PRO A 32 47.929 -10.639 -2.497 1.00 1.00 H new ATOM 0 HB3 PRO A 32 49.129 -9.493 -3.063 1.00 1.00 H new ATOM 0 HG2 PRO A 32 48.985 -12.429 -3.484 1.00 1.00 H new ATOM 0 HG3 PRO A 32 49.735 -11.201 -4.484 1.00 1.00 H new ATOM 0 HD2 PRO A 32 51.076 -12.951 -2.635 1.00 1.00 H new ATOM 0 HD3 PRO A 32 51.802 -11.631 -3.528 1.00 1.00 H new ATOM 460 N ALA A 33 49.718 -12.257 0.467 1.00 1.00 N ATOM 461 CA ALA A 33 49.124 -13.180 1.429 1.00 1.00 C ATOM 462 C ALA A 33 49.780 -13.021 2.797 1.00 1.00 C ATOM 463 O ALA A 33 49.504 -13.787 3.721 1.00 1.00 O ATOM 464 CB ALA A 33 49.297 -14.620 0.943 1.00 1.00 C ATOM 0 H ALA A 33 50.737 -12.273 0.439 1.00 1.00 H new ATOM 0 HA ALA A 33 48.062 -12.951 1.518 1.00 1.00 H new ATOM 0 HB1 ALA A 33 48.852 -15.304 1.666 1.00 1.00 H new ATOM 0 HB2 ALA A 33 48.804 -14.740 -0.022 1.00 1.00 H new ATOM 0 HB3 ALA A 33 50.359 -14.844 0.839 1.00 1.00 H new ATOM 470 N ILE A 34 50.646 -12.021 2.920 1.00 1.00 N ATOM 471 CA ILE A 34 51.334 -11.770 4.181 1.00 1.00 C ATOM 472 C ILE A 34 51.514 -10.272 4.405 1.00 1.00 C ATOM 473 O ILE A 34 51.317 -9.772 5.512 1.00 1.00 O ATOM 474 CB ILE A 34 52.701 -12.454 4.175 1.00 1.00 C ATOM 475 CG1 ILE A 34 52.976 -13.027 2.784 1.00 1.00 C ATOM 476 CG2 ILE A 34 52.710 -13.587 5.202 1.00 1.00 C ATOM 477 CD1 ILE A 34 54.392 -13.602 2.740 1.00 1.00 C ATOM 0 H ILE A 34 50.887 -11.375 2.168 1.00 1.00 H new ATOM 0 HA ILE A 34 50.728 -12.177 4.991 1.00 1.00 H new ATOM 0 HB ILE A 34 53.472 -11.727 4.430 1.00 1.00 H new ATOM 0 HG12 ILE A 34 52.249 -13.804 2.549 1.00 1.00 H new ATOM 0 HG13 ILE A 34 52.865 -12.248 2.030 1.00 1.00 H new ATOM 0 HG21 ILE A 34 53.685 -14.075 5.197 1.00 1.00 H new ATOM 0 HG22 ILE A 34 52.512 -13.181 6.194 1.00 1.00 H new ATOM 0 HG23 ILE A 34 51.939 -14.315 4.948 1.00 1.00 H new ATOM 0 HD11 ILE A 34 54.588 -14.010 1.749 1.00 1.00 H new ATOM 0 HD12 ILE A 34 55.112 -12.813 2.956 1.00 1.00 H new ATOM 0 HD13 ILE A 34 54.487 -14.393 3.484 1.00 1.00 H new ATOM 489 N TYR A 35 51.890 -9.561 3.346 1.00 1.00 N ATOM 490 CA TYR A 35 52.093 -8.120 3.438 1.00 1.00 C ATOM 491 C TYR A 35 50.753 -7.394 3.501 1.00 1.00 C ATOM 492 O TYR A 35 50.682 -6.183 3.294 1.00 1.00 O ATOM 493 CB TYR A 35 52.889 -7.626 2.228 1.00 1.00 C ATOM 494 CG TYR A 35 54.365 -7.665 2.546 1.00 1.00 C ATOM 495 CD1 TYR A 35 54.924 -8.804 3.140 1.00 1.00 C ATOM 496 CD2 TYR A 35 55.175 -6.563 2.246 1.00 1.00 C ATOM 497 CE1 TYR A 35 56.293 -8.840 3.433 1.00 1.00 C ATOM 498 CE2 TYR A 35 56.543 -6.599 2.540 1.00 1.00 C ATOM 499 CZ TYR A 35 57.102 -7.738 3.133 1.00 1.00 C ATOM 500 OH TYR A 35 58.452 -7.773 3.422 1.00 1.00 O ATOM 0 H TYR A 35 52.059 -9.956 2.421 1.00 1.00 H new ATOM 0 HA TYR A 35 52.651 -7.907 4.350 1.00 1.00 H new ATOM 0 HB2 TYR A 35 52.677 -8.250 1.360 1.00 1.00 H new ATOM 0 HB3 TYR A 35 52.588 -6.610 1.971 1.00 1.00 H new ATOM 0 HD1 TYR A 35 54.299 -9.654 3.372 1.00 1.00 H new ATOM 0 HD2 TYR A 35 54.744 -5.685 1.788 1.00 1.00 H new ATOM 0 HE1 TYR A 35 56.724 -9.718 3.890 1.00 1.00 H new ATOM 0 HE2 TYR A 35 57.167 -5.748 2.310 1.00 1.00 H new ATOM 0 HH TYR A 35 58.867 -6.928 3.149 1.00 1.00 H new ATOM 510 N MET A 36 49.693 -8.145 3.790 1.00 1.00 N ATOM 511 CA MET A 36 48.357 -7.567 3.880 1.00 1.00 C ATOM 512 C MET A 36 47.653 -8.043 5.146 1.00 1.00 C ATOM 513 O MET A 36 47.207 -7.235 5.962 1.00 1.00 O ATOM 514 CB MET A 36 47.531 -7.966 2.655 1.00 1.00 C ATOM 515 CG MET A 36 48.362 -7.755 1.388 1.00 1.00 C ATOM 516 SD MET A 36 48.872 -6.021 1.283 1.00 1.00 S ATOM 517 CE MET A 36 50.192 -6.246 0.065 1.00 1.00 C ATOM 0 H MET A 36 49.734 -9.149 3.965 1.00 1.00 H new ATOM 0 HA MET A 36 48.453 -6.482 3.916 1.00 1.00 H new ATOM 0 HB2 MET A 36 47.226 -9.010 2.733 1.00 1.00 H new ATOM 0 HB3 MET A 36 46.619 -7.370 2.608 1.00 1.00 H new ATOM 0 HG2 MET A 36 49.239 -8.403 1.403 1.00 1.00 H new ATOM 0 HG3 MET A 36 47.779 -8.028 0.508 1.00 1.00 H new ATOM 0 HE1 MET A 36 50.801 -5.343 0.018 1.00 1.00 H new ATOM 0 HE2 MET A 36 50.816 -7.090 0.357 1.00 1.00 H new ATOM 0 HE3 MET A 36 49.754 -6.440 -0.914 1.00 1.00 H new ATOM 527 N LEU A 37 47.557 -9.359 5.304 1.00 1.00 N ATOM 528 CA LEU A 37 46.905 -9.932 6.476 1.00 1.00 C ATOM 529 C LEU A 37 47.763 -9.721 7.721 1.00 1.00 C ATOM 530 O LEU A 37 47.499 -10.304 8.773 1.00 1.00 O ATOM 531 CB LEU A 37 46.670 -11.428 6.263 1.00 1.00 C ATOM 532 CG LEU A 37 45.604 -11.629 5.186 1.00 1.00 C ATOM 533 CD1 LEU A 37 45.876 -12.932 4.433 1.00 1.00 C ATOM 534 CD2 LEU A 37 44.224 -11.700 5.843 1.00 1.00 C ATOM 0 H LEU A 37 47.919 -10.044 4.641 1.00 1.00 H new ATOM 0 HA LEU A 37 45.947 -9.431 6.619 1.00 1.00 H new ATOM 0 HB2 LEU A 37 47.599 -11.914 5.965 1.00 1.00 H new ATOM 0 HB3 LEU A 37 46.352 -11.893 7.196 1.00 1.00 H new ATOM 0 HG LEU A 37 45.633 -10.793 4.487 1.00 1.00 H new ATOM 0 HD11 LEU A 37 45.115 -13.074 3.665 1.00 1.00 H new ATOM 0 HD12 LEU A 37 46.859 -12.883 3.965 1.00 1.00 H new ATOM 0 HD13 LEU A 37 45.848 -13.768 5.131 1.00 1.00 H new ATOM 0 HD21 LEU A 37 43.463 -11.843 5.076 1.00 1.00 H new ATOM 0 HD22 LEU A 37 44.196 -12.536 6.542 1.00 1.00 H new ATOM 0 HD23 LEU A 37 44.028 -10.772 6.379 1.00 1.00 H new ATOM 546 N VAL A 38 48.787 -8.884 7.592 1.00 1.00 N ATOM 547 CA VAL A 38 49.676 -8.603 8.713 1.00 1.00 C ATOM 548 C VAL A 38 50.090 -7.136 8.714 1.00 1.00 C ATOM 549 O VAL A 38 49.877 -6.421 9.694 1.00 1.00 O ATOM 550 CB VAL A 38 50.921 -9.487 8.626 1.00 1.00 C ATOM 551 CG1 VAL A 38 51.674 -9.444 9.957 1.00 1.00 C ATOM 552 CG2 VAL A 38 50.503 -10.927 8.325 1.00 1.00 C ATOM 0 H VAL A 38 49.021 -8.392 6.730 1.00 1.00 H new ATOM 0 HA VAL A 38 49.142 -8.818 9.639 1.00 1.00 H new ATOM 0 HB VAL A 38 51.570 -9.121 7.830 1.00 1.00 H new ATOM 0 HG11 VAL A 38 52.561 -10.074 9.894 1.00 1.00 H new ATOM 0 HG12 VAL A 38 51.972 -8.418 10.173 1.00 1.00 H new ATOM 0 HG13 VAL A 38 51.026 -9.809 10.754 1.00 1.00 H new ATOM 0 HG21 VAL A 38 51.390 -11.558 8.263 1.00 1.00 H new ATOM 0 HG22 VAL A 38 49.854 -11.291 9.121 1.00 1.00 H new ATOM 0 HG23 VAL A 38 49.967 -10.960 7.376 1.00 1.00 H new ATOM 562 N PHE A 39 50.681 -6.690 7.609 1.00 1.00 N ATOM 563 CA PHE A 39 51.119 -5.305 7.494 1.00 1.00 C ATOM 564 C PHE A 39 50.071 -4.364 8.080 1.00 1.00 C ATOM 565 O PHE A 39 50.375 -3.542 8.946 1.00 1.00 O ATOM 566 CB PHE A 39 51.360 -4.953 6.024 1.00 1.00 C ATOM 567 CG PHE A 39 52.554 -4.037 5.914 1.00 1.00 C ATOM 568 CD1 PHE A 39 52.426 -2.678 6.227 1.00 1.00 C ATOM 569 CD2 PHE A 39 53.791 -4.545 5.499 1.00 1.00 C ATOM 570 CE1 PHE A 39 53.534 -1.828 6.123 1.00 1.00 C ATOM 571 CE2 PHE A 39 54.899 -3.696 5.396 1.00 1.00 C ATOM 572 CZ PHE A 39 54.770 -2.337 5.708 1.00 1.00 C ATOM 0 H PHE A 39 50.866 -7.264 6.786 1.00 1.00 H new ATOM 0 HA PHE A 39 52.049 -5.189 8.051 1.00 1.00 H new ATOM 0 HB2 PHE A 39 51.530 -5.861 5.445 1.00 1.00 H new ATOM 0 HB3 PHE A 39 50.477 -4.469 5.606 1.00 1.00 H new ATOM 0 HD1 PHE A 39 51.473 -2.285 6.549 1.00 1.00 H new ATOM 0 HD2 PHE A 39 53.890 -5.593 5.258 1.00 1.00 H new ATOM 0 HE1 PHE A 39 53.435 -0.780 6.363 1.00 1.00 H new ATOM 0 HE2 PHE A 39 55.853 -4.089 5.076 1.00 1.00 H new ATOM 0 HZ PHE A 39 55.625 -1.681 5.628 1.00 1.00 H new ATOM 582 N LEU A 40 48.837 -4.494 7.604 1.00 1.00 N ATOM 583 CA LEU A 40 47.746 -3.655 8.087 1.00 1.00 C ATOM 584 C LEU A 40 46.835 -4.453 9.015 1.00 1.00 C ATOM 585 O LEU A 40 45.611 -4.380 8.912 1.00 1.00 O ATOM 586 CB LEU A 40 46.934 -3.122 6.905 1.00 1.00 C ATOM 587 CG LEU A 40 47.754 -2.071 6.155 1.00 1.00 C ATOM 588 CD1 LEU A 40 47.439 -2.148 4.660 1.00 1.00 C ATOM 589 CD2 LEU A 40 47.398 -0.678 6.679 1.00 1.00 C ATOM 0 H LEU A 40 48.568 -5.169 6.888 1.00 1.00 H new ATOM 0 HA LEU A 40 48.170 -2.817 8.641 1.00 1.00 H new ATOM 0 HB2 LEU A 40 46.670 -3.939 6.234 1.00 1.00 H new ATOM 0 HB3 LEU A 40 46.000 -2.685 7.259 1.00 1.00 H new ATOM 0 HG LEU A 40 48.816 -2.259 6.312 1.00 1.00 H new ATOM 0 HD11 LEU A 40 48.024 -1.399 4.126 1.00 1.00 H new ATOM 0 HD12 LEU A 40 47.692 -3.140 4.286 1.00 1.00 H new ATOM 0 HD13 LEU A 40 46.377 -1.960 4.502 1.00 1.00 H new ATOM 0 HD21 LEU A 40 47.982 0.072 6.145 1.00 1.00 H new ATOM 0 HD22 LEU A 40 46.336 -0.491 6.522 1.00 1.00 H new ATOM 0 HD23 LEU A 40 47.622 -0.622 7.744 1.00 1.00 H new ATOM 601 N LEU A 41 47.442 -5.214 9.919 1.00 1.00 N ATOM 602 CA LEU A 41 46.677 -6.025 10.860 1.00 1.00 C ATOM 603 C LEU A 41 47.558 -6.455 12.029 1.00 1.00 C ATOM 604 O LEU A 41 47.228 -6.211 13.190 1.00 1.00 O ATOM 605 CB LEU A 41 46.121 -7.262 10.142 1.00 1.00 C ATOM 606 CG LEU A 41 45.281 -8.110 11.106 1.00 1.00 C ATOM 607 CD1 LEU A 41 44.096 -7.292 11.625 1.00 1.00 C ATOM 608 CD2 LEU A 41 44.756 -9.342 10.365 1.00 1.00 C ATOM 0 H LEU A 41 48.454 -5.287 10.020 1.00 1.00 H new ATOM 0 HA LEU A 41 45.850 -5.430 11.248 1.00 1.00 H new ATOM 0 HB2 LEU A 41 45.511 -6.954 9.293 1.00 1.00 H new ATOM 0 HB3 LEU A 41 46.942 -7.859 9.744 1.00 1.00 H new ATOM 0 HG LEU A 41 45.901 -8.417 11.948 1.00 1.00 H new ATOM 0 HD11 LEU A 41 43.505 -7.901 12.309 1.00 1.00 H new ATOM 0 HD12 LEU A 41 44.464 -6.411 12.150 1.00 1.00 H new ATOM 0 HD13 LEU A 41 43.474 -6.980 10.786 1.00 1.00 H new ATOM 0 HD21 LEU A 41 44.158 -9.948 11.045 1.00 1.00 H new ATOM 0 HD22 LEU A 41 44.139 -9.025 9.524 1.00 1.00 H new ATOM 0 HD23 LEU A 41 45.596 -9.931 9.997 1.00 1.00 H new ATOM 620 N GLY A 42 48.680 -7.096 11.716 1.00 1.00 N ATOM 621 CA GLY A 42 49.600 -7.556 12.749 1.00 1.00 C ATOM 622 C GLY A 42 50.360 -6.388 13.366 1.00 1.00 C ATOM 623 O GLY A 42 51.418 -6.572 13.968 1.00 1.00 O ATOM 0 H GLY A 42 48.972 -7.307 10.762 1.00 1.00 H new ATOM 0 HA2 GLY A 42 49.046 -8.084 13.525 1.00 1.00 H new ATOM 0 HA3 GLY A 42 50.306 -8.268 12.321 1.00 1.00 H new ATOM 627 N THR A 43 49.815 -5.185 13.212 1.00 1.00 N ATOM 628 CA THR A 43 50.452 -3.993 13.759 1.00 1.00 C ATOM 629 C THR A 43 49.522 -2.789 13.647 1.00 1.00 C ATOM 630 O THR A 43 48.818 -2.445 14.596 1.00 1.00 O ATOM 631 CB THR A 43 51.755 -3.706 13.010 1.00 1.00 C ATOM 632 OG1 THR A 43 51.981 -2.303 12.978 1.00 1.00 O ATOM 633 CG2 THR A 43 51.656 -4.242 11.581 1.00 1.00 C ATOM 0 H THR A 43 48.940 -5.011 12.717 1.00 1.00 H new ATOM 0 HA THR A 43 50.671 -4.172 14.812 1.00 1.00 H new ATOM 0 HB THR A 43 52.583 -4.197 13.521 1.00 1.00 H new ATOM 0 HG1 THR A 43 52.816 -2.117 12.500 1.00 1.00 H new ATOM 0 HG21 THR A 43 52.585 -4.036 11.050 1.00 1.00 H new ATOM 0 HG22 THR A 43 51.484 -5.318 11.607 1.00 1.00 H new ATOM 0 HG23 THR A 43 50.828 -3.754 11.066 1.00 1.00 H new ATOM 641 N THR A 44 49.524 -2.153 12.479 1.00 1.00 N ATOM 642 CA THR A 44 48.676 -0.988 12.253 1.00 1.00 C ATOM 643 C THR A 44 48.845 0.024 13.381 1.00 1.00 C ATOM 644 O THR A 44 48.077 0.980 13.490 1.00 1.00 O ATOM 645 CB THR A 44 47.209 -1.418 12.166 1.00 1.00 C ATOM 646 OG1 THR A 44 46.606 -1.297 13.447 1.00 1.00 O ATOM 647 CG2 THR A 44 47.127 -2.871 11.696 1.00 1.00 C ATOM 0 H THR A 44 50.099 -2.422 11.680 1.00 1.00 H new ATOM 0 HA THR A 44 48.974 -0.522 11.314 1.00 1.00 H new ATOM 0 HB THR A 44 46.684 -0.780 11.455 1.00 1.00 H new ATOM 0 HG1 THR A 44 47.142 -1.783 14.108 1.00 1.00 H new ATOM 0 HG21 THR A 44 46.082 -3.175 11.635 1.00 1.00 H new ATOM 0 HG22 THR A 44 47.590 -2.962 10.713 1.00 1.00 H new ATOM 0 HG23 THR A 44 47.651 -3.513 12.405 1.00 1.00 H new ATOM 655 N GLY A 45 49.855 -0.192 14.218 1.00 1.00 N ATOM 656 CA GLY A 45 50.115 0.709 15.335 1.00 1.00 C ATOM 657 C GLY A 45 49.106 0.490 16.456 1.00 1.00 C ATOM 658 O GLY A 45 49.075 1.240 17.432 1.00 1.00 O ATOM 0 H GLY A 45 50.502 -0.977 14.145 1.00 1.00 H new ATOM 0 HA2 GLY A 45 51.125 0.546 15.712 1.00 1.00 H new ATOM 0 HA3 GLY A 45 50.066 1.743 14.993 1.00 1.00 H new ATOM 662 N ASN A 46 48.280 -0.541 16.310 1.00 1.00 N ATOM 663 CA ASN A 46 47.272 -0.849 17.319 1.00 1.00 C ATOM 664 C ASN A 46 47.736 -2.002 18.205 1.00 1.00 C ATOM 665 O ASN A 46 47.031 -2.410 19.127 1.00 1.00 O ATOM 666 CB ASN A 46 45.953 -1.223 16.641 1.00 1.00 C ATOM 667 CG ASN A 46 45.833 -2.739 16.533 1.00 1.00 C ATOM 668 OD1 ASN A 46 44.812 -3.311 16.913 1.00 1.00 O ATOM 669 ND2 ASN A 46 46.823 -3.429 16.035 1.00 1.00 N ATOM 0 H ASN A 46 48.288 -1.173 15.510 1.00 1.00 H new ATOM 0 HA ASN A 46 47.124 0.035 17.940 1.00 1.00 H new ATOM 0 HB2 ASN A 46 45.115 -0.824 17.212 1.00 1.00 H new ATOM 0 HB3 ASN A 46 45.905 -0.775 15.649 1.00 1.00 H new ATOM 0 HD21 ASN A 46 46.751 -4.444 15.960 1.00 1.00 H new ATOM 0 HD22 ASN A 46 47.669 -2.953 15.720 1.00 1.00 H new ATOM 676 N GLY A 47 48.925 -2.521 17.917 1.00 1.00 N ATOM 677 CA GLY A 47 49.473 -3.627 18.695 1.00 1.00 C ATOM 678 C GLY A 47 50.453 -3.120 19.747 1.00 1.00 C ATOM 679 O GLY A 47 50.433 -3.567 20.893 1.00 1.00 O ATOM 0 H GLY A 47 49.524 -2.197 17.157 1.00 1.00 H new ATOM 0 HA2 GLY A 47 48.663 -4.172 19.180 1.00 1.00 H new ATOM 0 HA3 GLY A 47 49.977 -4.329 18.031 1.00 1.00 H new ATOM 683 N LEU A 48 51.309 -2.185 19.349 1.00 1.00 N ATOM 684 CA LEU A 48 52.294 -1.624 20.267 1.00 1.00 C ATOM 685 C LEU A 48 51.805 -0.292 20.827 1.00 1.00 C ATOM 686 O LEU A 48 52.604 0.582 21.162 1.00 1.00 O ATOM 687 CB LEU A 48 53.630 -1.417 19.548 1.00 1.00 C ATOM 688 CG LEU A 48 53.670 -2.254 18.266 1.00 1.00 C ATOM 689 CD1 LEU A 48 55.043 -2.110 17.607 1.00 1.00 C ATOM 690 CD2 LEU A 48 53.425 -3.727 18.608 1.00 1.00 C ATOM 0 H LEU A 48 51.341 -1.802 18.404 1.00 1.00 H new ATOM 0 HA LEU A 48 52.433 -2.325 21.090 1.00 1.00 H new ATOM 0 HB2 LEU A 48 53.764 -0.362 19.308 1.00 1.00 H new ATOM 0 HB3 LEU A 48 54.453 -1.701 20.204 1.00 1.00 H new ATOM 0 HG LEU A 48 52.897 -1.905 17.582 1.00 1.00 H new ATOM 0 HD11 LEU A 48 55.073 -2.705 16.694 1.00 1.00 H new ATOM 0 HD12 LEU A 48 55.221 -1.063 17.363 1.00 1.00 H new ATOM 0 HD13 LEU A 48 55.814 -2.459 18.293 1.00 1.00 H new ATOM 0 HD21 LEU A 48 53.454 -4.322 17.695 1.00 1.00 H new ATOM 0 HD22 LEU A 48 54.199 -4.075 19.293 1.00 1.00 H new ATOM 0 HD23 LEU A 48 52.448 -3.833 19.080 1.00 1.00 H new ATOM 702 N VAL A 49 50.489 -0.146 20.926 1.00 1.00 N ATOM 703 CA VAL A 49 49.904 1.086 21.447 1.00 1.00 C ATOM 704 C VAL A 49 48.690 0.776 22.318 1.00 1.00 C ATOM 705 O VAL A 49 48.561 1.297 23.426 1.00 1.00 O ATOM 706 CB VAL A 49 49.486 1.996 20.292 1.00 1.00 C ATOM 707 CG1 VAL A 49 49.053 3.355 20.843 1.00 1.00 C ATOM 708 CG2 VAL A 49 50.670 2.187 19.341 1.00 1.00 C ATOM 0 H VAL A 49 49.811 -0.858 20.655 1.00 1.00 H new ATOM 0 HA VAL A 49 50.654 1.593 22.055 1.00 1.00 H new ATOM 0 HB VAL A 49 48.655 1.541 19.754 1.00 1.00 H new ATOM 0 HG11 VAL A 49 48.755 4.003 20.019 1.00 1.00 H new ATOM 0 HG12 VAL A 49 48.211 3.221 21.522 1.00 1.00 H new ATOM 0 HG13 VAL A 49 49.884 3.811 21.381 1.00 1.00 H new ATOM 0 HG21 VAL A 49 50.374 2.836 18.517 1.00 1.00 H new ATOM 0 HG22 VAL A 49 51.500 2.642 19.881 1.00 1.00 H new ATOM 0 HG23 VAL A 49 50.980 1.219 18.947 1.00 1.00 H new ATOM 718 N LEU A 50 47.805 -0.074 21.809 1.00 1.00 N ATOM 719 CA LEU A 50 46.605 -0.446 22.550 1.00 1.00 C ATOM 720 C LEU A 50 46.813 -1.770 23.279 1.00 1.00 C ATOM 721 O LEU A 50 46.860 -1.812 24.508 1.00 1.00 O ATOM 722 CB LEU A 50 45.418 -0.569 21.593 1.00 1.00 C ATOM 723 CG LEU A 50 44.119 -0.642 22.397 1.00 1.00 C ATOM 724 CD1 LEU A 50 43.433 0.725 22.385 1.00 1.00 C ATOM 725 CD2 LEU A 50 43.190 -1.684 21.768 1.00 1.00 C ATOM 0 H LEU A 50 47.894 -0.515 20.894 1.00 1.00 H new ATOM 0 HA LEU A 50 46.400 0.332 23.286 1.00 1.00 H new ATOM 0 HB2 LEU A 50 45.392 0.286 20.917 1.00 1.00 H new ATOM 0 HB3 LEU A 50 45.526 -1.461 20.975 1.00 1.00 H new ATOM 0 HG LEU A 50 44.343 -0.926 23.425 1.00 1.00 H new ATOM 0 HD11 LEU A 50 42.507 0.673 22.958 1.00 1.00 H new ATOM 0 HD12 LEU A 50 44.094 1.468 22.831 1.00 1.00 H new ATOM 0 HD13 LEU A 50 43.208 1.010 21.357 1.00 1.00 H new ATOM 0 HD21 LEU A 50 42.263 -1.738 22.340 1.00 1.00 H new ATOM 0 HD22 LEU A 50 42.966 -1.399 20.740 1.00 1.00 H new ATOM 0 HD23 LEU A 50 43.678 -2.659 21.776 1.00 1.00 H new ATOM 737 N TRP A 51 46.936 -2.849 22.512 1.00 1.00 N ATOM 738 CA TRP A 51 47.138 -4.169 23.097 1.00 1.00 C ATOM 739 C TRP A 51 48.178 -4.109 24.210 1.00 1.00 C ATOM 740 O TRP A 51 48.221 -4.979 25.081 1.00 1.00 O ATOM 741 CB TRP A 51 47.599 -5.153 22.019 1.00 1.00 C ATOM 742 CG TRP A 51 48.078 -6.412 22.666 1.00 1.00 C ATOM 743 CD1 TRP A 51 49.374 -6.722 22.897 1.00 1.00 C ATOM 744 CD2 TRP A 51 47.293 -7.533 23.167 1.00 1.00 C ATOM 745 NE1 TRP A 51 49.435 -7.961 23.508 1.00 1.00 N ATOM 746 CE2 TRP A 51 48.179 -8.501 23.696 1.00 1.00 C ATOM 747 CE3 TRP A 51 45.913 -7.800 23.214 1.00 1.00 C ATOM 748 CZ2 TRP A 51 47.711 -9.693 24.252 1.00 1.00 C ATOM 749 CZ3 TRP A 51 45.439 -8.999 23.773 1.00 1.00 C ATOM 750 CH2 TRP A 51 46.338 -9.943 24.291 1.00 1.00 C ATOM 0 H TRP A 51 46.900 -2.836 21.493 1.00 1.00 H new ATOM 0 HA TRP A 51 46.191 -4.507 23.518 1.00 1.00 H new ATOM 0 HB2 TRP A 51 46.778 -5.372 21.336 1.00 1.00 H new ATOM 0 HB3 TRP A 51 48.398 -4.710 21.425 1.00 1.00 H new ATOM 0 HD1 TRP A 51 50.223 -6.103 22.645 1.00 1.00 H new ATOM 0 HE1 TRP A 51 50.303 -8.420 23.786 1.00 1.00 H new ATOM 0 HE3 TRP A 51 45.213 -7.079 22.818 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 48.407 -10.417 24.649 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 44.377 -9.195 23.804 1.00 1.00 H new ATOM 0 HH2 TRP A 51 45.968 -10.863 24.720 1.00 1.00 H new ATOM 761 N THR A 52 49.014 -3.077 24.177 1.00 1.00 N ATOM 762 CA THR A 52 50.051 -2.914 25.190 1.00 1.00 C ATOM 763 C THR A 52 49.483 -2.241 26.436 1.00 1.00 C ATOM 764 O THR A 52 50.210 -1.592 27.187 1.00 1.00 O ATOM 765 CB THR A 52 51.199 -2.071 24.631 1.00 1.00 C ATOM 766 OG1 THR A 52 52.292 -2.102 25.538 1.00 1.00 O ATOM 767 CG2 THR A 52 50.731 -0.627 24.443 1.00 1.00 C ATOM 0 H THR A 52 48.995 -2.346 23.466 1.00 1.00 H new ATOM 0 HA THR A 52 50.424 -3.901 25.463 1.00 1.00 H new ATOM 0 HB THR A 52 51.512 -2.476 23.669 1.00 1.00 H new ATOM 0 HG1 THR A 52 51.994 -1.794 26.420 1.00 1.00 H new ATOM 0 HG21 THR A 52 51.550 -0.028 24.045 1.00 1.00 H new ATOM 0 HG22 THR A 52 49.893 -0.604 23.747 1.00 1.00 H new ATOM 0 HG23 THR A 52 50.416 -0.219 25.403 1.00 1.00 H new ATOM 775 N VAL A 53 48.178 -2.403 26.644 1.00 1.00 N ATOM 776 CA VAL A 53 47.513 -1.810 27.800 1.00 1.00 C ATOM 777 C VAL A 53 47.016 -2.896 28.749 1.00 1.00 C ATOM 778 O VAL A 53 47.386 -2.926 29.922 1.00 1.00 O ATOM 779 CB VAL A 53 46.330 -0.956 27.339 1.00 1.00 C ATOM 780 CG1 VAL A 53 45.612 -0.375 28.559 1.00 1.00 C ATOM 781 CG2 VAL A 53 46.842 0.187 26.459 1.00 1.00 C ATOM 0 H VAL A 53 47.563 -2.937 26.030 1.00 1.00 H new ATOM 0 HA VAL A 53 48.233 -1.183 28.327 1.00 1.00 H new ATOM 0 HB VAL A 53 45.636 -1.574 26.770 1.00 1.00 H new ATOM 0 HG11 VAL A 53 44.769 0.233 28.230 1.00 1.00 H new ATOM 0 HG12 VAL A 53 45.249 -1.187 29.189 1.00 1.00 H new ATOM 0 HG13 VAL A 53 46.305 0.244 29.129 1.00 1.00 H new ATOM 0 HG21 VAL A 53 46.001 0.797 26.129 1.00 1.00 H new ATOM 0 HG22 VAL A 53 47.535 0.804 27.031 1.00 1.00 H new ATOM 0 HG23 VAL A 53 47.355 -0.225 25.590 1.00 1.00 H new ATOM 791 N PHE A 54 46.177 -3.788 28.231 1.00 1.00 N ATOM 792 CA PHE A 54 45.636 -4.873 29.041 1.00 1.00 C ATOM 793 C PHE A 54 46.665 -5.987 29.201 1.00 1.00 C ATOM 794 O PHE A 54 46.411 -6.988 29.872 1.00 1.00 O ATOM 795 CB PHE A 54 44.373 -5.433 28.386 1.00 1.00 C ATOM 796 CG PHE A 54 43.154 -4.860 29.068 1.00 1.00 C ATOM 797 CD1 PHE A 54 42.614 -5.500 30.190 1.00 1.00 C ATOM 798 CD2 PHE A 54 42.564 -3.690 28.578 1.00 1.00 C ATOM 799 CE1 PHE A 54 41.484 -4.969 30.822 1.00 1.00 C ATOM 800 CE2 PHE A 54 41.433 -3.158 29.210 1.00 1.00 C ATOM 801 CZ PHE A 54 40.894 -3.797 30.332 1.00 1.00 C ATOM 0 H PHE A 54 45.859 -3.781 27.262 1.00 1.00 H new ATOM 0 HA PHE A 54 45.390 -4.478 30.026 1.00 1.00 H new ATOM 0 HB2 PHE A 54 44.360 -5.184 27.325 1.00 1.00 H new ATOM 0 HB3 PHE A 54 44.365 -6.521 28.458 1.00 1.00 H new ATOM 0 HD1 PHE A 54 43.070 -6.403 30.568 1.00 1.00 H new ATOM 0 HD2 PHE A 54 42.981 -3.197 27.712 1.00 1.00 H new ATOM 0 HE1 PHE A 54 41.067 -5.463 31.687 1.00 1.00 H new ATOM 0 HE2 PHE A 54 40.977 -2.255 28.832 1.00 1.00 H new ATOM 0 HZ PHE A 54 40.023 -3.386 30.820 1.00 1.00 H new ATOM 811 N ARG A 55 47.827 -5.807 28.583 1.00 1.00 N ATOM 812 CA ARG A 55 48.887 -6.804 28.664 1.00 1.00 C ATOM 813 C ARG A 55 49.932 -6.389 29.695 1.00 1.00 C ATOM 814 O ARG A 55 50.427 -7.217 30.459 1.00 1.00 O ATOM 815 CB ARG A 55 49.554 -6.971 27.293 1.00 1.00 C ATOM 816 CG ARG A 55 50.539 -8.146 27.325 1.00 1.00 C ATOM 817 CD ARG A 55 49.789 -9.463 27.557 1.00 1.00 C ATOM 818 NE ARG A 55 49.796 -9.804 28.976 1.00 1.00 N ATOM 819 CZ ARG A 55 50.817 -10.454 29.523 1.00 1.00 C ATOM 820 NH1 ARG A 55 51.842 -10.796 28.790 1.00 1.00 N ATOM 821 NH2 ARG A 55 50.797 -10.750 30.794 1.00 1.00 N ATOM 0 H ARG A 55 48.058 -4.986 28.024 1.00 1.00 H new ATOM 0 HA ARG A 55 48.447 -7.753 28.971 1.00 1.00 H new ATOM 0 HB2 ARG A 55 48.795 -7.143 26.530 1.00 1.00 H new ATOM 0 HB3 ARG A 55 50.078 -6.055 27.021 1.00 1.00 H new ATOM 0 HG2 ARG A 55 51.089 -8.194 26.385 1.00 1.00 H new ATOM 0 HG3 ARG A 55 51.273 -7.993 28.117 1.00 1.00 H new ATOM 0 HD2 ARG A 55 48.762 -9.373 27.202 1.00 1.00 H new ATOM 0 HD3 ARG A 55 50.256 -10.262 26.981 1.00 1.00 H new ATOM 0 HE ARG A 55 49.002 -9.538 29.559 1.00 1.00 H new ATOM 0 HH11 ARG A 55 51.859 -10.564 27.797 1.00 1.00 H new ATOM 0 HH12 ARG A 55 52.626 -11.295 29.211 1.00 1.00 H new ATOM 0 HH21 ARG A 55 49.997 -10.482 31.367 1.00 1.00 H new ATOM 0 HH22 ARG A 55 51.581 -11.249 31.214 1.00 1.00 H new ATOM 835 N LYS A 56 50.262 -5.101 29.710 1.00 1.00 N ATOM 836 CA LYS A 56 51.250 -4.587 30.652 1.00 1.00 C ATOM 837 C LYS A 56 50.593 -4.252 31.988 1.00 1.00 C ATOM 838 O LYS A 56 51.109 -4.601 33.049 1.00 1.00 O ATOM 839 CB LYS A 56 51.916 -3.334 30.081 1.00 1.00 C ATOM 840 CG LYS A 56 52.115 -3.501 28.572 1.00 1.00 C ATOM 841 CD LYS A 56 52.903 -4.785 28.301 1.00 1.00 C ATOM 842 CE LYS A 56 53.359 -4.804 26.841 1.00 1.00 C ATOM 843 NZ LYS A 56 53.562 -6.213 26.402 1.00 1.00 N ATOM 0 H LYS A 56 49.863 -4.399 29.086 1.00 1.00 H new ATOM 0 HA LYS A 56 52.004 -5.357 30.813 1.00 1.00 H new ATOM 0 HB2 LYS A 56 51.299 -2.458 30.282 1.00 1.00 H new ATOM 0 HB3 LYS A 56 52.876 -3.166 30.568 1.00 1.00 H new ATOM 0 HG2 LYS A 56 51.149 -3.541 28.069 1.00 1.00 H new ATOM 0 HG3 LYS A 56 52.649 -2.641 28.167 1.00 1.00 H new ATOM 0 HD2 LYS A 56 53.767 -4.841 28.964 1.00 1.00 H new ATOM 0 HD3 LYS A 56 52.283 -5.656 28.511 1.00 1.00 H new ATOM 0 HE2 LYS A 56 52.614 -4.319 26.210 1.00 1.00 H new ATOM 0 HE3 LYS A 56 54.286 -4.241 26.731 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 54.000 -6.223 25.459 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 54.184 -6.701 27.078 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 52.644 -6.700 26.363 1.00 1.00 H new ATOM 857 N LYS A 57 49.452 -3.573 31.926 1.00 1.00 N ATOM 858 CA LYS A 57 48.732 -3.196 33.137 1.00 1.00 C ATOM 859 C LYS A 57 47.739 -4.285 33.530 1.00 1.00 C ATOM 860 O LYS A 57 47.016 -4.152 34.516 1.00 1.00 O ATOM 861 CB LYS A 57 47.984 -1.878 32.916 1.00 1.00 C ATOM 862 CG LYS A 57 48.784 -0.966 31.974 1.00 1.00 C ATOM 863 CD LYS A 57 50.190 -0.714 32.538 1.00 1.00 C ATOM 864 CE LYS A 57 50.087 -0.097 33.935 1.00 1.00 C ATOM 865 NZ LYS A 57 51.298 0.729 34.203 1.00 1.00 N ATOM 0 H LYS A 57 49.009 -3.274 31.057 1.00 1.00 H new ATOM 0 HA LYS A 57 49.457 -3.070 33.942 1.00 1.00 H new ATOM 0 HB2 LYS A 57 47.000 -2.077 32.492 1.00 1.00 H new ATOM 0 HB3 LYS A 57 47.825 -1.377 33.871 1.00 1.00 H new ATOM 0 HG2 LYS A 57 48.858 -1.426 30.988 1.00 1.00 H new ATOM 0 HG3 LYS A 57 48.262 -0.018 31.845 1.00 1.00 H new ATOM 0 HD2 LYS A 57 50.746 -1.650 32.584 1.00 1.00 H new ATOM 0 HD3 LYS A 57 50.743 -0.047 31.876 1.00 1.00 H new ATOM 0 HE2 LYS A 57 49.190 0.519 34.007 1.00 1.00 H new ATOM 0 HE3 LYS A 57 49.996 -0.882 34.685 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 51.229 1.149 35.152 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 52.146 0.129 34.151 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 51.365 1.487 33.494 1.00 1.00 H new ATOM 879 N GLY A 58 47.711 -5.362 32.752 1.00 1.00 N ATOM 880 CA GLY A 58 46.803 -6.468 33.028 1.00 1.00 C ATOM 881 C GLY A 58 47.503 -7.808 32.830 1.00 1.00 C ATOM 882 O GLY A 58 47.330 -8.465 31.803 1.00 1.00 O ATOM 0 H GLY A 58 48.302 -5.492 31.931 1.00 1.00 H new ATOM 0 HA2 GLY A 58 46.433 -6.394 34.051 1.00 1.00 H new ATOM 0 HA3 GLY A 58 45.936 -6.405 32.370 1.00 1.00 H new ATOM 886 N HIS A 59 48.292 -8.208 33.821 1.00 1.00 N ATOM 887 CA HIS A 59 49.015 -9.472 33.748 1.00 1.00 C ATOM 888 C HIS A 59 48.051 -10.627 33.502 1.00 1.00 C ATOM 889 O HIS A 59 48.457 -11.706 33.071 1.00 1.00 O ATOM 890 CB HIS A 59 49.780 -9.709 35.051 1.00 1.00 C ATOM 891 CG HIS A 59 51.235 -9.935 34.744 1.00 1.00 C ATOM 892 ND1 HIS A 59 51.927 -11.041 35.214 1.00 1.00 N ATOM 893 CD2 HIS A 59 52.143 -9.206 34.017 1.00 1.00 C ATOM 894 CE1 HIS A 59 53.193 -10.947 34.768 1.00 1.00 C ATOM 895 NE2 HIS A 59 53.379 -9.847 34.034 1.00 1.00 N ATOM 0 H HIS A 59 48.447 -7.679 34.679 1.00 1.00 H new ATOM 0 HA HIS A 59 49.719 -9.421 32.918 1.00 1.00 H new ATOM 0 HB2 HIS A 59 49.666 -8.851 35.713 1.00 1.00 H new ATOM 0 HB3 HIS A 59 49.369 -10.572 35.574 1.00 1.00 H new ATOM 0 HD2 HIS A 59 51.931 -8.277 33.509 1.00 1.00 H new ATOM 0 HE1 HIS A 59 53.965 -11.673 34.978 1.00 1.00 H new ATOM 0 HE2 HIS A 59 54.241 -9.542 33.583 1.00 1.00 H new ATOM 903 N HIS A 60 46.772 -10.395 33.782 1.00 1.00 N ATOM 904 CA HIS A 60 45.759 -11.424 33.588 1.00 1.00 C ATOM 905 C HIS A 60 45.056 -11.240 32.247 1.00 1.00 C ATOM 906 O HIS A 60 44.603 -12.207 31.634 1.00 1.00 O ATOM 907 CB HIS A 60 44.729 -11.364 34.718 1.00 1.00 C ATOM 908 CG HIS A 60 45.439 -11.320 36.042 1.00 1.00 C ATOM 909 ND1 HIS A 60 46.130 -12.410 36.547 1.00 1.00 N ATOM 910 CD2 HIS A 60 45.574 -10.325 36.979 1.00 1.00 C ATOM 911 CE1 HIS A 60 46.645 -12.049 37.737 1.00 1.00 C ATOM 912 NE2 HIS A 60 46.335 -10.788 38.048 1.00 1.00 N ATOM 0 H HIS A 60 46.415 -9.510 34.141 1.00 1.00 H new ATOM 0 HA HIS A 60 46.252 -12.396 33.596 1.00 1.00 H new ATOM 0 HB2 HIS A 60 44.098 -10.483 34.602 1.00 1.00 H new ATOM 0 HB3 HIS A 60 44.074 -12.234 34.674 1.00 1.00 H new ATOM 0 HD2 HIS A 60 45.153 -9.334 36.898 1.00 1.00 H new ATOM 0 HE1 HIS A 60 47.237 -12.700 38.364 1.00 1.00 H new ATOM 0 HE2 HIS A 60 46.599 -10.274 38.889 1.00 1.00 H new ATOM 920 N HIS A 61 44.970 -9.993 31.797 1.00 1.00 N ATOM 921 CA HIS A 61 44.319 -9.693 30.526 1.00 1.00 C ATOM 922 C HIS A 61 42.865 -10.152 30.547 1.00 1.00 C ATOM 923 O HIS A 61 42.465 -11.013 29.765 1.00 1.00 O ATOM 924 CB HIS A 61 45.060 -10.389 29.383 1.00 1.00 C ATOM 925 CG HIS A 61 44.591 -9.828 28.068 1.00 1.00 C ATOM 926 ND1 HIS A 61 43.510 -10.358 27.382 1.00 1.00 N ATOM 927 CD2 HIS A 61 45.047 -8.785 27.301 1.00 1.00 C ATOM 928 CE1 HIS A 61 43.352 -9.638 26.256 1.00 1.00 C ATOM 929 NE2 HIS A 61 44.263 -8.667 26.158 1.00 1.00 N ATOM 0 H HIS A 61 45.339 -9.179 32.288 1.00 1.00 H new ATOM 0 HA HIS A 61 44.345 -8.614 30.372 1.00 1.00 H new ATOM 0 HB2 HIS A 61 46.135 -10.244 29.490 1.00 1.00 H new ATOM 0 HB3 HIS A 61 44.878 -11.463 29.418 1.00 1.00 H new ATOM 0 HD2 HIS A 61 45.887 -8.152 27.547 1.00 1.00 H new ATOM 0 HE1 HIS A 61 42.582 -9.823 25.521 1.00 1.00 H new ATOM 0 HE2 HIS A 61 44.363 -7.985 25.406 1.00 1.00 H new ATOM 937 N HIS A 62 42.079 -9.571 31.448 1.00 1.00 N ATOM 938 CA HIS A 62 40.670 -9.928 31.561 1.00 1.00 C ATOM 939 C HIS A 62 39.841 -9.175 30.526 1.00 1.00 C ATOM 940 O HIS A 62 38.936 -8.416 30.873 1.00 1.00 O ATOM 941 CB HIS A 62 40.158 -9.597 32.965 1.00 1.00 C ATOM 942 CG HIS A 62 38.920 -10.401 33.251 1.00 1.00 C ATOM 943 ND1 HIS A 62 37.650 -9.931 32.958 1.00 1.00 N ATOM 944 CD2 HIS A 62 38.742 -11.645 33.804 1.00 1.00 C ATOM 945 CE1 HIS A 62 36.770 -10.877 33.333 1.00 1.00 C ATOM 946 NE2 HIS A 62 37.383 -11.944 33.855 1.00 1.00 N ATOM 0 H HIS A 62 42.391 -8.856 32.106 1.00 1.00 H new ATOM 0 HA HIS A 62 40.571 -10.998 31.380 1.00 1.00 H new ATOM 0 HB2 HIS A 62 40.927 -9.818 33.705 1.00 1.00 H new ATOM 0 HB3 HIS A 62 39.938 -8.532 33.042 1.00 1.00 H new ATOM 0 HD1 HIS A 62 37.423 -9.031 32.535 1.00 1.00 H new ATOM 0 HD2 HIS A 62 39.535 -12.293 34.147 1.00 1.00 H new ATOM 0 HE1 HIS A 62 35.699 -10.786 33.225 1.00 1.00 H new ATOM 954 N HIS A 63 40.156 -9.391 29.253 1.00 1.00 N ATOM 955 CA HIS A 63 39.434 -8.727 28.174 1.00 1.00 C ATOM 956 C HIS A 63 39.555 -9.523 26.878 1.00 1.00 C ATOM 957 O HIS A 63 40.320 -9.160 25.986 1.00 1.00 O ATOM 958 CB HIS A 63 39.990 -7.317 27.964 1.00 1.00 C ATOM 959 CG HIS A 63 39.285 -6.666 26.805 1.00 1.00 C ATOM 960 ND1 HIS A 63 39.885 -5.686 26.031 1.00 1.00 N ATOM 961 CD2 HIS A 63 38.030 -6.845 26.278 1.00 1.00 C ATOM 962 CE1 HIS A 63 38.999 -5.313 25.090 1.00 1.00 C ATOM 963 NE2 HIS A 63 37.852 -5.989 25.194 1.00 1.00 N ATOM 0 H HIS A 63 40.901 -10.016 28.945 1.00 1.00 H new ATOM 0 HA HIS A 63 38.382 -8.665 28.451 1.00 1.00 H new ATOM 0 HB2 HIS A 63 39.853 -6.722 28.867 1.00 1.00 H new ATOM 0 HB3 HIS A 63 41.062 -7.362 27.772 1.00 1.00 H new ATOM 0 HD2 HIS A 63 37.293 -7.543 26.648 1.00 1.00 H new ATOM 0 HE1 HIS A 63 39.192 -4.559 24.342 1.00 1.00 H new ATOM 0 HE2 HIS A 63 37.024 -5.898 24.606 1.00 1.00 H new ATOM 971 N HIS A 64 38.795 -10.608 26.784 1.00 1.00 N ATOM 972 CA HIS A 64 38.825 -11.449 25.592 1.00 1.00 C ATOM 973 C HIS A 64 38.000 -10.822 24.473 1.00 1.00 C ATOM 974 O HIS A 64 37.869 -11.452 23.436 1.00 1.00 O ATOM 975 CB HIS A 64 38.273 -12.839 25.918 1.00 1.00 C ATOM 976 CG HIS A 64 36.776 -12.768 26.038 1.00 1.00 C ATOM 977 ND1 HIS A 64 35.936 -13.562 25.273 1.00 1.00 N ATOM 978 CD2 HIS A 64 35.954 -12.005 26.829 1.00 1.00 C ATOM 979 CE1 HIS A 64 34.669 -13.260 25.616 1.00 1.00 C ATOM 980 NE2 HIS A 64 34.624 -12.317 26.560 1.00 1.00 N ATOM 981 OXT HIS A 64 37.511 -9.722 24.670 1.00 1.00 O ATOM 0 H HIS A 64 38.155 -10.925 27.512 1.00 1.00 H new ATOM 0 HA HIS A 64 39.859 -11.538 25.260 1.00 1.00 H new ATOM 0 HB2 HIS A 64 38.553 -13.546 25.137 1.00 1.00 H new ATOM 0 HB3 HIS A 64 38.706 -13.205 26.849 1.00 1.00 H new ATOM 0 HD2 HIS A 64 36.288 -11.274 27.550 1.00 1.00 H new ATOM 0 HE1 HIS A 64 33.796 -13.724 25.181 1.00 1.00 H new ATOM 0 HE2 HIS A 64 33.793 -11.912 26.992 1.00 1.00 H new TER 989 HIS A 64