USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 435 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 10 ASN : amide:sc= -1.16 K(o=-1.2,f=-6.7!) USER MOD Set 1.2: A 40 LYS NZ :NH3+ -110:sc= 0.0014 (180deg=-0.771) USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= -0.707 USER MOD Set 2.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 29 THR OG1 : rot 100:sc= -1.18 USER MOD Set 3.2: A 43 LYS NZ :NH3+ 141:sc= -0.568 (180deg=-2.14!) USER MOD Set 4.1: A 26 TYR OH : rot 76:sc= 0.283 USER MOD Set 4.2: A 68 GLN : amide:sc= -0.304 K(o=-0.021,f=1.3) USER MOD Single : A 5 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-4!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -2.09 K(o=-2.1,f=-0.99) USER MOD Single : A 16 ASN : amide:sc= 0.0999 X(o=0.1,f=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -115:sc= -0.211 (180deg=-1.77!) USER MOD Single : A 28 MET CE :methyl -116:sc= 0 (180deg=-0.836) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 179:sc= 0 (180deg=-0.00291) USER MOD Single : A 42 SER OG : rot 9:sc= -0.491! USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 16:sc= 0.557 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.7! USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.888 K(o=-0.89,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 0.599 -4.595 -1.700 1.00 33.00 N ATOM 19 CA LEU A 2 1.938 -4.977 -1.266 1.00 30.13 C ATOM 20 C LEU A 2 2.985 -4.019 -1.823 1.00 44.43 C ATOM 21 O LEU A 2 2.821 -3.469 -2.912 1.00 53.53 O ATOM 22 CB LEU A 2 2.251 -6.407 -1.710 1.00 31.13 C ATOM 23 CG LEU A 2 3.602 -6.967 -1.265 1.00 64.40 C ATOM 24 CD1 LEU A 2 3.580 -7.301 0.219 1.00 50.44 C ATOM 25 CD2 LEU A 2 3.965 -8.197 -2.084 1.00 65.33 C ATOM 0 HA LEU A 2 1.968 -4.926 -0.178 1.00 30.13 H new ATOM 0 HB2 LEU A 2 1.466 -7.063 -1.333 1.00 31.13 H new ATOM 0 HB3 LEU A 2 2.204 -6.447 -2.798 1.00 31.13 H new ATOM 0 HG LEU A 2 4.362 -6.204 -1.433 1.00 64.40 H new ATOM 0 HD11 LEU A 2 4.550 -7.698 0.517 1.00 50.44 H new ATOM 0 HD12 LEU A 2 3.366 -6.399 0.792 1.00 50.44 H new ATOM 0 HD13 LEU A 2 2.808 -8.046 0.413 1.00 50.44 H new ATOM 0 HD21 LEU A 2 4.930 -8.582 -1.754 1.00 65.33 H new ATOM 0 HD22 LEU A 2 3.202 -8.963 -1.947 1.00 65.33 H new ATOM 0 HD23 LEU A 2 4.024 -7.928 -3.139 1.00 65.33 H new ATOM 37 N ASP A 3 4.063 -3.825 -1.071 1.00 32.22 N ATOM 38 CA ASP A 3 5.139 -2.936 -1.491 1.00 44.21 C ATOM 39 C ASP A 3 6.468 -3.682 -1.552 1.00 25.14 C ATOM 40 O ASP A 3 6.768 -4.509 -0.690 1.00 21.21 O ATOM 41 CB ASP A 3 5.251 -1.747 -0.535 1.00 34.43 C ATOM 42 CG ASP A 3 3.904 -1.314 0.010 1.00 74.42 C ATOM 43 OD1 ASP A 3 3.341 -2.045 0.852 1.00 72.32 O ATOM 44 OD2 ASP A 3 3.413 -0.244 -0.405 1.00 74.15 O ATOM 0 H ASP A 3 4.215 -4.272 -0.167 1.00 32.22 H new ATOM 0 HA ASP A 3 4.903 -2.568 -2.490 1.00 44.21 H new ATOM 0 HB2 ASP A 3 5.907 -2.012 0.294 1.00 34.43 H new ATOM 0 HB3 ASP A 3 5.716 -0.909 -1.055 1.00 34.43 H new ATOM 49 N CYS A 4 7.262 -3.385 -2.576 1.00 33.45 N ATOM 50 CA CYS A 4 8.558 -4.029 -2.750 1.00 43.44 C ATOM 51 C CYS A 4 9.498 -3.145 -3.566 1.00 23.04 C ATOM 52 O CYS A 4 9.091 -2.112 -4.099 1.00 31.44 O ATOM 53 CB CYS A 4 8.390 -5.384 -3.439 1.00 72.31 C ATOM 54 SG CYS A 4 8.158 -6.778 -2.290 1.00 35.43 S ATOM 0 H CYS A 4 7.030 -2.702 -3.298 1.00 33.45 H new ATOM 0 HA CYS A 4 8.995 -4.183 -1.763 1.00 43.44 H new ATOM 0 HB2 CYS A 4 7.533 -5.334 -4.111 1.00 72.31 H new ATOM 0 HB3 CYS A 4 9.268 -5.577 -4.056 1.00 72.31 H new ATOM 59 N HIS A 5 10.758 -3.558 -3.658 1.00 63.31 N ATOM 60 CA HIS A 5 11.757 -2.805 -4.409 1.00 33.30 C ATOM 61 C HIS A 5 11.700 -3.157 -5.893 1.00 12.25 C ATOM 62 O HIS A 5 12.028 -4.275 -6.289 1.00 42.02 O ATOM 63 CB HIS A 5 13.156 -3.085 -3.860 1.00 41.30 C ATOM 64 CG HIS A 5 13.389 -2.514 -2.495 1.00 41.21 C ATOM 65 ND1 HIS A 5 13.654 -1.179 -2.273 1.00 13.22 N ATOM 66 CD2 HIS A 5 13.394 -3.105 -1.277 1.00 43.34 C ATOM 67 CE1 HIS A 5 13.813 -0.974 -0.978 1.00 3.34 C ATOM 68 NE2 HIS A 5 13.660 -2.126 -0.351 1.00 65.42 N ATOM 0 H HIS A 5 11.112 -4.410 -3.222 1.00 63.31 H new ATOM 0 HA HIS A 5 11.537 -1.743 -4.297 1.00 33.30 H new ATOM 0 HB2 HIS A 5 13.315 -4.163 -3.826 1.00 41.30 H new ATOM 0 HB3 HIS A 5 13.896 -2.675 -4.547 1.00 41.30 H new ATOM 0 HD2 HIS A 5 13.221 -4.151 -1.072 1.00 43.34 H new ATOM 0 HE1 HIS A 5 14.031 -0.025 -0.511 1.00 3.34 H new ATOM 0 HE2 HIS A 5 13.728 -2.266 0.657 1.00 65.42 H new ATOM 76 N VAL A 6 11.280 -2.195 -6.708 1.00 50.31 N ATOM 77 CA VAL A 6 11.180 -2.402 -8.148 1.00 22.32 C ATOM 78 C VAL A 6 12.243 -1.603 -8.893 1.00 63.33 C ATOM 79 O VAL A 6 12.143 -0.383 -9.020 1.00 52.44 O ATOM 80 CB VAL A 6 9.790 -2.005 -8.677 1.00 54.32 C ATOM 81 CG1 VAL A 6 9.717 -2.195 -10.185 1.00 5.23 C ATOM 82 CG2 VAL A 6 8.704 -2.808 -7.978 1.00 32.43 C ATOM 0 H VAL A 6 11.003 -1.264 -6.396 1.00 50.31 H new ATOM 0 HA VAL A 6 11.338 -3.466 -8.327 1.00 22.32 H new ATOM 0 HB VAL A 6 9.627 -0.949 -8.459 1.00 54.32 H new ATOM 0 HG11 VAL A 6 8.727 -1.909 -10.540 1.00 5.23 H new ATOM 0 HG12 VAL A 6 10.470 -1.571 -10.667 1.00 5.23 H new ATOM 0 HG13 VAL A 6 9.902 -3.241 -10.429 1.00 5.23 H new ATOM 0 HG21 VAL A 6 7.728 -2.514 -8.365 1.00 32.43 H new ATOM 0 HG22 VAL A 6 8.862 -3.871 -8.162 1.00 32.43 H new ATOM 0 HG23 VAL A 6 8.742 -2.616 -6.906 1.00 32.43 H new ATOM 92 N CYS A 7 13.262 -2.300 -9.385 1.00 43.24 N ATOM 93 CA CYS A 7 14.345 -1.657 -10.119 1.00 45.40 C ATOM 94 C CYS A 7 15.334 -2.692 -10.649 1.00 14.23 C ATOM 95 O CYS A 7 15.142 -3.895 -10.474 1.00 14.35 O ATOM 96 CB CYS A 7 15.073 -0.654 -9.221 1.00 12.00 C ATOM 97 SG CYS A 7 15.797 -1.389 -7.720 1.00 33.34 S ATOM 0 H CYS A 7 13.360 -3.311 -9.288 1.00 43.24 H new ATOM 0 HA CYS A 7 13.911 -1.128 -10.967 1.00 45.40 H new ATOM 0 HB2 CYS A 7 15.865 -0.175 -9.797 1.00 12.00 H new ATOM 0 HB3 CYS A 7 14.374 0.129 -8.928 1.00 12.00 H new ATOM 102 N ALA A 8 16.391 -2.215 -11.297 1.00 2.31 N ATOM 103 CA ALA A 8 17.410 -3.098 -11.850 1.00 45.21 C ATOM 104 C ALA A 8 18.755 -2.386 -11.954 1.00 63.50 C ATOM 105 O ALA A 8 18.837 -1.263 -12.450 1.00 44.41 O ATOM 106 CB ALA A 8 16.978 -3.614 -13.214 1.00 75.22 C ATOM 0 H ALA A 8 16.564 -1.222 -11.452 1.00 2.31 H new ATOM 0 HA ALA A 8 17.527 -3.945 -11.174 1.00 45.21 H new ATOM 0 HB1 ALA A 8 17.749 -4.272 -13.615 1.00 75.22 H new ATOM 0 HB2 ALA A 8 16.044 -4.167 -13.115 1.00 75.22 H new ATOM 0 HB3 ALA A 8 16.831 -2.773 -13.891 1.00 75.22 H new ATOM 112 N TYR A 9 19.807 -3.047 -11.483 1.00 33.52 N ATOM 113 CA TYR A 9 21.148 -2.477 -11.520 1.00 11.40 C ATOM 114 C TYR A 9 22.194 -3.560 -11.763 1.00 44.33 C ATOM 115 O TYR A 9 22.006 -4.716 -11.389 1.00 35.13 O ATOM 116 CB TYR A 9 21.450 -1.745 -10.211 1.00 51.12 C ATOM 117 CG TYR A 9 22.838 -1.148 -10.158 1.00 21.05 C ATOM 118 CD1 TYR A 9 23.208 -0.122 -11.018 1.00 65.11 C ATOM 119 CD2 TYR A 9 23.779 -1.610 -9.245 1.00 41.42 C ATOM 120 CE1 TYR A 9 24.476 0.425 -10.973 1.00 11.41 C ATOM 121 CE2 TYR A 9 25.048 -1.067 -9.192 1.00 24.00 C ATOM 122 CZ TYR A 9 25.392 -0.050 -10.058 1.00 62.12 C ATOM 123 OH TYR A 9 26.655 0.494 -10.009 1.00 63.31 O ATOM 0 H TYR A 9 19.756 -3.979 -11.071 1.00 33.52 H new ATOM 0 HA TYR A 9 21.190 -1.765 -12.345 1.00 11.40 H new ATOM 0 HB2 TYR A 9 20.716 -0.951 -10.071 1.00 51.12 H new ATOM 0 HB3 TYR A 9 21.330 -2.440 -9.380 1.00 51.12 H new ATOM 0 HD1 TYR A 9 22.492 0.255 -11.734 1.00 65.11 H new ATOM 0 HD2 TYR A 9 23.513 -2.407 -8.566 1.00 41.42 H new ATOM 0 HE1 TYR A 9 24.748 1.220 -11.651 1.00 11.41 H new ATOM 0 HE2 TYR A 9 25.767 -1.437 -8.476 1.00 24.00 H new ATOM 0 HH TYR A 9 27.176 0.048 -9.309 1.00 63.31 H new ATOM 133 N ASN A 10 23.299 -3.175 -12.394 1.00 4.34 N ATOM 134 CA ASN A 10 24.377 -4.112 -12.688 1.00 5.23 C ATOM 135 C ASN A 10 25.403 -4.133 -11.558 1.00 72.32 C ATOM 136 O ASN A 10 26.560 -3.762 -11.749 1.00 10.41 O ATOM 137 CB ASN A 10 25.061 -3.738 -14.005 1.00 33.32 C ATOM 138 CG ASN A 10 24.108 -3.079 -14.984 1.00 23.14 C ATOM 139 OD1 ASN A 10 23.536 -3.740 -15.851 1.00 1.34 O ATOM 140 ND2 ASN A 10 23.934 -1.769 -14.849 1.00 24.52 N ATOM 0 H ASN A 10 23.471 -2.221 -12.711 1.00 4.34 H new ATOM 0 HA ASN A 10 23.944 -5.108 -12.781 1.00 5.23 H new ATOM 0 HB2 ASN A 10 25.892 -3.063 -13.801 1.00 33.32 H new ATOM 0 HB3 ASN A 10 25.483 -4.634 -14.460 1.00 33.32 H new ATOM 0 HD21 ASN A 10 23.305 -1.270 -15.479 1.00 24.52 H new ATOM 0 HD22 ASN A 10 24.429 -1.262 -14.116 1.00 24.52 H new ATOM 147 N GLY A 11 24.969 -4.572 -10.380 1.00 70.45 N ATOM 148 CA GLY A 11 25.861 -4.635 -9.238 1.00 2.04 C ATOM 149 C GLY A 11 25.328 -5.527 -8.134 1.00 63.43 C ATOM 150 O GLY A 11 24.856 -6.634 -8.395 1.00 40.04 O ATOM 0 H GLY A 11 24.016 -4.885 -10.197 1.00 70.45 H new ATOM 0 HA2 GLY A 11 26.834 -5.004 -9.561 1.00 2.04 H new ATOM 0 HA3 GLY A 11 26.016 -3.630 -8.846 1.00 2.04 H new ATOM 154 N ASP A 12 25.405 -5.047 -6.898 1.00 63.12 N ATOM 155 CA ASP A 12 24.927 -5.809 -5.751 1.00 23.45 C ATOM 156 C ASP A 12 23.405 -5.904 -5.757 1.00 72.53 C ATOM 157 O ASP A 12 22.840 -6.947 -6.085 1.00 52.23 O ATOM 158 CB ASP A 12 25.405 -5.165 -4.448 1.00 54.44 C ATOM 159 CG ASP A 12 25.000 -5.963 -3.225 1.00 12.13 C ATOM 160 OD1 ASP A 12 24.877 -7.201 -3.337 1.00 55.34 O ATOM 161 OD2 ASP A 12 24.807 -5.350 -2.154 1.00 42.11 O ATOM 0 H ASP A 12 25.794 -4.133 -6.665 1.00 63.12 H new ATOM 0 HA ASP A 12 25.336 -6.817 -5.821 1.00 23.45 H new ATOM 0 HB2 ASP A 12 26.490 -5.067 -4.471 1.00 54.44 H new ATOM 0 HB3 ASP A 12 24.996 -4.158 -4.373 1.00 54.44 H new ATOM 166 N ASN A 13 22.747 -4.809 -5.392 1.00 31.03 N ATOM 167 CA ASN A 13 21.289 -4.770 -5.354 1.00 45.51 C ATOM 168 C ASN A 13 20.786 -3.332 -5.263 1.00 64.05 C ATOM 169 O ASN A 13 21.136 -2.597 -4.339 1.00 64.15 O ATOM 170 CB ASN A 13 20.767 -5.580 -4.166 1.00 61.33 C ATOM 171 CG ASN A 13 21.816 -5.765 -3.086 1.00 55.32 C ATOM 172 OD1 ASN A 13 22.282 -4.796 -2.487 1.00 44.10 O ATOM 173 ND2 ASN A 13 22.191 -7.013 -2.833 1.00 72.11 N ATOM 0 H ASN A 13 23.200 -3.937 -5.118 1.00 31.03 H new ATOM 0 HA ASN A 13 20.914 -5.210 -6.278 1.00 45.51 H new ATOM 0 HB2 ASN A 13 19.897 -5.078 -3.742 1.00 61.33 H new ATOM 0 HB3 ASN A 13 20.433 -6.557 -4.515 1.00 61.33 H new ATOM 0 HD21 ASN A 13 22.893 -7.199 -2.117 1.00 72.11 H new ATOM 0 HD22 ASN A 13 21.777 -7.786 -3.355 1.00 72.11 H new ATOM 180 N CYS A 14 19.963 -2.937 -6.229 1.00 33.44 N ATOM 181 CA CYS A 14 19.410 -1.589 -6.259 1.00 44.51 C ATOM 182 C CYS A 14 18.281 -1.440 -5.243 1.00 42.05 C ATOM 183 O CYS A 14 17.620 -2.415 -4.887 1.00 73.32 O ATOM 184 CB CYS A 14 18.897 -1.257 -7.662 1.00 14.04 C ATOM 185 SG CYS A 14 17.505 -2.298 -8.209 1.00 2.41 S ATOM 0 H CYS A 14 19.665 -3.532 -7.002 1.00 33.44 H new ATOM 0 HA CYS A 14 20.205 -0.891 -5.996 1.00 44.51 H new ATOM 0 HB2 CYS A 14 18.587 -0.212 -7.686 1.00 14.04 H new ATOM 0 HB3 CYS A 14 19.717 -1.363 -8.372 1.00 14.04 H new ATOM 190 N PHE A 15 18.066 -0.213 -4.781 1.00 45.31 N ATOM 191 CA PHE A 15 17.018 0.064 -3.806 1.00 42.30 C ATOM 192 C PHE A 15 15.998 1.049 -4.369 1.00 51.24 C ATOM 193 O PHE A 15 16.330 2.191 -4.683 1.00 52.42 O ATOM 194 CB PHE A 15 17.626 0.623 -2.518 1.00 35.05 C ATOM 195 CG PHE A 15 18.372 -0.403 -1.713 1.00 14.53 C ATOM 196 CD1 PHE A 15 17.846 -1.670 -1.523 1.00 33.21 C ATOM 197 CD2 PHE A 15 19.599 -0.099 -1.146 1.00 13.55 C ATOM 198 CE1 PHE A 15 18.530 -2.616 -0.783 1.00 72.42 C ATOM 199 CE2 PHE A 15 20.288 -1.041 -0.405 1.00 55.33 C ATOM 200 CZ PHE A 15 19.752 -2.301 -0.223 1.00 11.32 C ATOM 0 H PHE A 15 18.604 0.606 -5.066 1.00 45.31 H new ATOM 0 HA PHE A 15 16.507 -0.873 -3.582 1.00 42.30 H new ATOM 0 HB2 PHE A 15 18.304 1.439 -2.770 1.00 35.05 H new ATOM 0 HB3 PHE A 15 16.831 1.047 -1.904 1.00 35.05 H new ATOM 0 HD1 PHE A 15 16.890 -1.922 -1.958 1.00 33.21 H new ATOM 0 HD2 PHE A 15 20.022 0.885 -1.284 1.00 13.55 H new ATOM 0 HE1 PHE A 15 18.109 -3.601 -0.643 1.00 72.42 H new ATOM 0 HE2 PHE A 15 21.244 -0.792 0.031 1.00 55.33 H new ATOM 0 HZ PHE A 15 20.288 -3.038 0.356 1.00 11.32 H new ATOM 210 N ASN A 16 14.754 0.597 -4.495 1.00 25.21 N ATOM 211 CA ASN A 16 13.685 1.437 -5.021 1.00 70.15 C ATOM 212 C ASN A 16 12.317 0.876 -4.645 1.00 1.24 C ATOM 213 O ASN A 16 11.692 0.135 -5.403 1.00 51.13 O ATOM 214 CB ASN A 16 13.800 1.551 -6.543 1.00 2.31 C ATOM 215 CG ASN A 16 12.939 2.665 -7.106 1.00 11.42 C ATOM 216 OD1 ASN A 16 13.298 3.841 -7.031 1.00 33.32 O ATOM 217 ND2 ASN A 16 11.795 2.300 -7.673 1.00 64.33 N ATOM 0 H ASN A 16 14.462 -0.346 -4.240 1.00 25.21 H new ATOM 0 HA ASN A 16 13.786 2.429 -4.580 1.00 70.15 H new ATOM 0 HB2 ASN A 16 14.841 1.728 -6.814 1.00 2.31 H new ATOM 0 HB3 ASN A 16 13.509 0.605 -6.999 1.00 2.31 H new ATOM 0 HD21 ASN A 16 11.174 3.006 -8.069 1.00 64.33 H new ATOM 0 HD22 ASN A 16 11.537 1.314 -7.713 1.00 64.33 H new ATOM 224 N PRO A 17 11.840 1.238 -3.444 1.00 73.44 N ATOM 225 CA PRO A 17 10.541 0.783 -2.940 1.00 14.14 C ATOM 226 C PRO A 17 9.374 1.404 -3.700 1.00 12.21 C ATOM 227 O PRO A 17 9.268 2.626 -3.802 1.00 73.13 O ATOM 228 CB PRO A 17 10.541 1.254 -1.483 1.00 44.52 C ATOM 229 CG PRO A 17 11.473 2.417 -1.462 1.00 22.43 C ATOM 230 CD PRO A 17 12.531 2.118 -2.488 1.00 0.31 C ATOM 0 HA PRO A 17 10.414 -0.293 -3.055 1.00 14.14 H new ATOM 0 HB2 PRO A 17 9.541 1.542 -1.160 1.00 44.52 H new ATOM 0 HB3 PRO A 17 10.878 0.464 -0.811 1.00 44.52 H new ATOM 0 HG2 PRO A 17 10.948 3.342 -1.701 1.00 22.43 H new ATOM 0 HG3 PRO A 17 11.913 2.546 -0.473 1.00 22.43 H new ATOM 0 HD2 PRO A 17 12.893 3.027 -2.968 1.00 0.31 H new ATOM 0 HD3 PRO A 17 13.396 1.627 -2.042 1.00 0.31 H new ATOM 238 N MET A 18 8.500 0.555 -4.231 1.00 24.22 N ATOM 239 CA MET A 18 7.340 1.022 -4.981 1.00 31.45 C ATOM 240 C MET A 18 6.143 0.103 -4.756 1.00 54.54 C ATOM 241 O MET A 18 6.279 -1.120 -4.751 1.00 63.02 O ATOM 242 CB MET A 18 7.667 1.097 -6.473 1.00 51.41 C ATOM 243 CG MET A 18 6.437 1.209 -7.360 1.00 23.12 C ATOM 244 SD MET A 18 5.501 2.721 -7.062 1.00 62.02 S ATOM 245 CE MET A 18 5.504 3.449 -8.699 1.00 22.42 C ATOM 0 H MET A 18 8.573 -0.460 -4.156 1.00 24.22 H new ATOM 0 HA MET A 18 7.083 2.019 -4.623 1.00 31.45 H new ATOM 0 HB2 MET A 18 8.313 1.956 -6.652 1.00 51.41 H new ATOM 0 HB3 MET A 18 8.231 0.209 -6.758 1.00 51.41 H new ATOM 0 HG2 MET A 18 6.744 1.176 -8.405 1.00 23.12 H new ATOM 0 HG3 MET A 18 5.792 0.347 -7.190 1.00 23.12 H new ATOM 0 HE1 MET A 18 4.961 4.394 -8.678 1.00 22.42 H new ATOM 0 HE2 MET A 18 6.532 3.628 -9.016 1.00 22.42 H new ATOM 0 HE3 MET A 18 5.021 2.769 -9.401 1.00 22.42 H new ATOM 255 N ARG A 19 4.970 0.702 -4.571 1.00 63.43 N ATOM 256 CA ARG A 19 3.750 -0.063 -4.345 1.00 72.01 C ATOM 257 C ARG A 19 3.251 -0.688 -5.645 1.00 22.33 C ATOM 258 O ARG A 19 3.165 -0.019 -6.675 1.00 65.51 O ATOM 259 CB ARG A 19 2.664 0.834 -3.749 1.00 14.21 C ATOM 260 CG ARG A 19 1.304 0.162 -3.651 1.00 60.11 C ATOM 261 CD ARG A 19 1.187 -0.677 -2.388 1.00 51.11 C ATOM 262 NE ARG A 19 0.643 0.090 -1.270 1.00 71.24 N ATOM 263 CZ ARG A 19 0.353 -0.440 -0.088 1.00 32.55 C ATOM 264 NH1 ARG A 19 0.554 -1.733 0.131 1.00 50.33 N ATOM 265 NH2 ARG A 19 -0.139 0.322 0.880 1.00 11.53 N ATOM 0 H ARG A 19 4.840 1.714 -4.573 1.00 63.43 H new ATOM 0 HA ARG A 19 3.978 -0.863 -3.641 1.00 72.01 H new ATOM 0 HB2 ARG A 19 2.974 1.154 -2.754 1.00 14.21 H new ATOM 0 HB3 ARG A 19 2.572 1.733 -4.358 1.00 14.21 H new ATOM 0 HG2 ARG A 19 0.521 0.920 -3.659 1.00 60.11 H new ATOM 0 HG3 ARG A 19 1.145 -0.470 -4.525 1.00 60.11 H new ATOM 0 HD2 ARG A 19 0.547 -1.538 -2.583 1.00 51.11 H new ATOM 0 HD3 ARG A 19 2.169 -1.065 -2.118 1.00 51.11 H new ATOM 0 HE ARG A 19 0.477 1.087 -1.405 1.00 71.24 H new ATOM 0 HH11 ARG A 19 0.932 -2.323 -0.610 1.00 50.33 H new ATOM 0 HH12 ARG A 19 0.330 -2.137 1.040 1.00 50.33 H new ATOM 0 HH21 ARG A 19 -0.295 1.317 0.717 1.00 11.53 H new ATOM 0 HH22 ARG A 19 -0.361 -0.087 1.788 1.00 11.53 H new ATOM 279 N CYS A 20 2.924 -1.975 -5.589 1.00 2.02 N ATOM 280 CA CYS A 20 2.435 -2.692 -6.760 1.00 42.23 C ATOM 281 C CYS A 20 0.990 -2.309 -7.068 1.00 64.23 C ATOM 282 O CYS A 20 0.242 -1.860 -6.200 1.00 22.43 O ATOM 283 CB CYS A 20 2.538 -4.202 -6.540 1.00 25.22 C ATOM 284 SG CYS A 20 4.100 -4.736 -5.767 1.00 54.13 S ATOM 0 H CYS A 20 2.989 -2.543 -4.744 1.00 2.02 H new ATOM 0 HA CYS A 20 3.056 -2.413 -7.611 1.00 42.23 H new ATOM 0 HB2 CYS A 20 1.706 -4.525 -5.914 1.00 25.22 H new ATOM 0 HB3 CYS A 20 2.429 -4.707 -7.500 1.00 25.22 H new ATOM 289 N PRO A 21 0.588 -2.491 -8.335 1.00 15.33 N ATOM 290 CA PRO A 21 -0.770 -2.172 -8.787 1.00 1.10 C ATOM 291 C PRO A 21 -1.811 -3.128 -8.215 1.00 61.44 C ATOM 292 O PRO A 21 -1.492 -3.991 -7.398 1.00 32.12 O ATOM 293 CB PRO A 21 -0.682 -2.324 -10.308 1.00 11.24 C ATOM 294 CG PRO A 21 0.440 -3.278 -10.529 1.00 23.23 C ATOM 295 CD PRO A 21 1.426 -3.022 -9.423 1.00 1.44 C ATOM 0 HA PRO A 21 -1.086 -1.181 -8.461 1.00 1.10 H new ATOM 0 HB2 PRO A 21 -1.615 -2.707 -10.722 1.00 11.24 H new ATOM 0 HB3 PRO A 21 -0.488 -1.366 -10.791 1.00 11.24 H new ATOM 0 HG2 PRO A 21 0.086 -4.309 -10.505 1.00 23.23 H new ATOM 0 HG3 PRO A 21 0.899 -3.121 -11.505 1.00 23.23 H new ATOM 0 HD2 PRO A 21 1.941 -3.935 -9.124 1.00 1.44 H new ATOM 0 HD3 PRO A 21 2.192 -2.308 -9.725 1.00 1.44 H new ATOM 303 N ALA A 22 -3.056 -2.970 -8.651 1.00 53.44 N ATOM 304 CA ALA A 22 -4.143 -3.821 -8.185 1.00 15.14 C ATOM 305 C ALA A 22 -4.226 -5.105 -9.004 1.00 1.43 C ATOM 306 O ALA A 22 -5.294 -5.474 -9.490 1.00 53.11 O ATOM 307 CB ALA A 22 -5.465 -3.069 -8.244 1.00 30.25 C ATOM 0 H ALA A 22 -3.337 -2.260 -9.327 1.00 53.44 H new ATOM 0 HA ALA A 22 -3.938 -4.094 -7.150 1.00 15.14 H new ATOM 0 HB1 ALA A 22 -6.268 -3.717 -7.893 1.00 30.25 H new ATOM 0 HB2 ALA A 22 -5.409 -2.184 -7.610 1.00 30.25 H new ATOM 0 HB3 ALA A 22 -5.666 -2.766 -9.272 1.00 30.25 H new ATOM 313 N MET A 23 -3.091 -5.780 -9.153 1.00 10.14 N ATOM 314 CA MET A 23 -3.036 -7.023 -9.913 1.00 31.10 C ATOM 315 C MET A 23 -1.912 -7.921 -9.406 1.00 71.21 C ATOM 316 O MET A 23 -2.049 -9.144 -9.372 1.00 21.12 O ATOM 317 CB MET A 23 -2.837 -6.728 -11.401 1.00 1.52 C ATOM 318 CG MET A 23 -1.599 -5.895 -11.695 1.00 34.23 C ATOM 319 SD MET A 23 -1.259 -5.756 -13.460 1.00 14.51 S ATOM 320 CE MET A 23 0.476 -5.311 -13.436 1.00 74.44 C ATOM 0 H MET A 23 -2.197 -5.487 -8.758 1.00 10.14 H new ATOM 0 HA MET A 23 -3.983 -7.545 -9.777 1.00 31.10 H new ATOM 0 HB2 MET A 23 -2.768 -7.671 -11.944 1.00 1.52 H new ATOM 0 HB3 MET A 23 -3.715 -6.205 -11.780 1.00 1.52 H new ATOM 0 HG2 MET A 23 -1.728 -4.898 -11.274 1.00 34.23 H new ATOM 0 HG3 MET A 23 -0.738 -6.342 -11.197 1.00 34.23 H new ATOM 0 HE1 MET A 23 0.599 -4.306 -13.839 1.00 74.44 H new ATOM 0 HE2 MET A 23 0.845 -5.339 -12.411 1.00 74.44 H new ATOM 0 HE3 MET A 23 1.041 -6.017 -14.044 1.00 74.44 H new ATOM 330 N VAL A 24 -0.801 -7.307 -9.014 1.00 3.53 N ATOM 331 CA VAL A 24 0.347 -8.051 -8.508 1.00 14.41 C ATOM 332 C VAL A 24 0.154 -8.429 -7.044 1.00 30.22 C ATOM 333 O VAL A 24 -0.486 -7.703 -6.283 1.00 70.55 O ATOM 334 CB VAL A 24 1.648 -7.240 -8.650 1.00 44.22 C ATOM 335 CG1 VAL A 24 2.766 -7.877 -7.839 1.00 20.22 C ATOM 336 CG2 VAL A 24 2.043 -7.119 -10.114 1.00 62.33 C ATOM 0 H VAL A 24 -0.671 -6.296 -9.037 1.00 3.53 H new ATOM 0 HA VAL A 24 0.426 -8.958 -9.107 1.00 14.41 H new ATOM 0 HB VAL A 24 1.475 -6.237 -8.260 1.00 44.22 H new ATOM 0 HG11 VAL A 24 3.677 -7.290 -7.952 1.00 20.22 H new ATOM 0 HG12 VAL A 24 2.481 -7.907 -6.787 1.00 20.22 H new ATOM 0 HG13 VAL A 24 2.942 -8.892 -8.196 1.00 20.22 H new ATOM 0 HG21 VAL A 24 2.965 -6.543 -10.196 1.00 62.33 H new ATOM 0 HG22 VAL A 24 2.198 -8.113 -10.532 1.00 62.33 H new ATOM 0 HG23 VAL A 24 1.249 -6.614 -10.664 1.00 62.33 H new ATOM 346 N ALA A 25 0.713 -9.571 -6.655 1.00 52.40 N ATOM 347 CA ALA A 25 0.605 -10.045 -5.281 1.00 11.10 C ATOM 348 C ALA A 25 1.864 -10.794 -4.858 1.00 71.55 C ATOM 349 O ALA A 25 1.842 -11.580 -3.910 1.00 52.24 O ATOM 350 CB ALA A 25 -0.619 -10.935 -5.124 1.00 52.14 C ATOM 0 H ALA A 25 1.245 -10.184 -7.272 1.00 52.40 H new ATOM 0 HA ALA A 25 0.495 -9.177 -4.631 1.00 11.10 H new ATOM 0 HB1 ALA A 25 -0.687 -11.282 -4.093 1.00 52.14 H new ATOM 0 HB2 ALA A 25 -1.515 -10.369 -5.376 1.00 52.14 H new ATOM 0 HB3 ALA A 25 -0.533 -11.793 -5.790 1.00 52.14 H new ATOM 356 N TYR A 26 2.960 -10.548 -5.568 1.00 15.22 N ATOM 357 CA TYR A 26 4.228 -11.202 -5.268 1.00 35.20 C ATOM 358 C TYR A 26 5.400 -10.393 -5.812 1.00 45.25 C ATOM 359 O TYR A 26 5.290 -9.737 -6.849 1.00 11.12 O ATOM 360 CB TYR A 26 4.249 -12.613 -5.858 1.00 64.23 C ATOM 361 CG TYR A 26 3.542 -13.639 -5.002 1.00 55.21 C ATOM 362 CD1 TYR A 26 4.153 -14.172 -3.874 1.00 64.44 C ATOM 363 CD2 TYR A 26 2.262 -14.075 -5.321 1.00 74.11 C ATOM 364 CE1 TYR A 26 3.511 -15.110 -3.089 1.00 71.34 C ATOM 365 CE2 TYR A 26 1.611 -15.011 -4.541 1.00 70.32 C ATOM 366 CZ TYR A 26 2.240 -15.526 -3.427 1.00 33.14 C ATOM 367 OH TYR A 26 1.595 -16.460 -2.648 1.00 25.00 O ATOM 0 H TYR A 26 2.995 -9.900 -6.355 1.00 15.22 H new ATOM 0 HA TYR A 26 4.328 -11.267 -4.185 1.00 35.20 H new ATOM 0 HB2 TYR A 26 3.784 -12.592 -6.844 1.00 64.23 H new ATOM 0 HB3 TYR A 26 5.284 -12.923 -6.000 1.00 64.23 H new ATOM 0 HD1 TYR A 26 5.148 -13.847 -3.606 1.00 64.44 H new ATOM 0 HD2 TYR A 26 1.767 -13.675 -6.194 1.00 74.11 H new ATOM 0 HE1 TYR A 26 4.001 -15.515 -2.216 1.00 71.34 H new ATOM 0 HE2 TYR A 26 0.615 -15.338 -4.802 1.00 70.32 H new ATOM 0 HH TYR A 26 1.277 -16.035 -1.824 1.00 25.00 H new ATOM 377 N CYS A 27 6.525 -10.444 -5.106 1.00 71.42 N ATOM 378 CA CYS A 27 7.720 -9.717 -5.516 1.00 61.33 C ATOM 379 C CYS A 27 8.751 -10.664 -6.125 1.00 74.11 C ATOM 380 O CYS A 27 9.138 -11.655 -5.508 1.00 25.52 O ATOM 381 CB CYS A 27 8.330 -8.982 -4.321 1.00 42.15 C ATOM 382 SG CYS A 27 7.107 -8.164 -3.248 1.00 35.42 S ATOM 0 H CYS A 27 6.634 -10.982 -4.246 1.00 71.42 H new ATOM 0 HA CYS A 27 7.430 -8.988 -6.273 1.00 61.33 H new ATOM 0 HB2 CYS A 27 8.903 -9.692 -3.725 1.00 42.15 H new ATOM 0 HB3 CYS A 27 9.033 -8.234 -4.688 1.00 42.15 H new ATOM 387 N MET A 28 9.190 -10.350 -7.340 1.00 35.24 N ATOM 388 CA MET A 28 10.176 -11.172 -8.031 1.00 40.22 C ATOM 389 C MET A 28 11.564 -10.545 -7.943 1.00 31.15 C ATOM 390 O MET A 28 11.716 -9.328 -8.057 1.00 70.45 O ATOM 391 CB MET A 28 9.780 -11.356 -9.497 1.00 72.43 C ATOM 392 CG MET A 28 10.725 -12.259 -10.273 1.00 71.43 C ATOM 393 SD MET A 28 10.819 -11.828 -12.021 1.00 73.15 S ATOM 394 CE MET A 28 9.366 -12.663 -12.655 1.00 23.43 C ATOM 0 H MET A 28 8.879 -9.533 -7.865 1.00 35.24 H new ATOM 0 HA MET A 28 10.205 -12.147 -7.544 1.00 40.22 H new ATOM 0 HB2 MET A 28 8.773 -11.772 -9.544 1.00 72.43 H new ATOM 0 HB3 MET A 28 9.744 -10.380 -9.981 1.00 72.43 H new ATOM 0 HG2 MET A 28 11.721 -12.199 -9.834 1.00 71.43 H new ATOM 0 HG3 MET A 28 10.395 -13.293 -10.175 1.00 71.43 H new ATOM 0 HE1 MET A 28 9.670 -13.439 -13.357 1.00 23.43 H new ATOM 0 HE2 MET A 28 8.817 -13.115 -11.829 1.00 23.43 H new ATOM 0 HE3 MET A 28 8.726 -11.943 -13.165 1.00 23.43 H new ATOM 404 N THR A 29 12.575 -11.383 -7.737 1.00 21.50 N ATOM 405 CA THR A 29 13.950 -10.911 -7.631 1.00 72.53 C ATOM 406 C THR A 29 14.912 -11.858 -8.340 1.00 40.44 C ATOM 407 O THR A 29 15.104 -12.998 -7.916 1.00 44.33 O ATOM 408 CB THR A 29 14.382 -10.765 -6.160 1.00 62.42 C ATOM 409 OG1 THR A 29 13.558 -9.797 -5.501 1.00 63.22 O ATOM 410 CG2 THR A 29 15.841 -10.346 -6.064 1.00 65.50 C ATOM 0 H THR A 29 12.467 -12.393 -7.640 1.00 21.50 H new ATOM 0 HA THR A 29 13.987 -9.933 -8.111 1.00 72.53 H new ATOM 0 HB THR A 29 14.265 -11.733 -5.672 1.00 62.42 H new ATOM 0 HG1 THR A 29 12.867 -10.256 -4.979 1.00 63.22 H new ATOM 0 HG21 THR A 29 16.124 -10.249 -5.016 1.00 65.50 H new ATOM 0 HG22 THR A 29 16.468 -11.099 -6.541 1.00 65.50 H new ATOM 0 HG23 THR A 29 15.978 -9.389 -6.567 1.00 65.50 H new ATOM 418 N THR A 30 15.516 -11.378 -9.423 1.00 61.03 N ATOM 419 CA THR A 30 16.458 -12.181 -10.192 1.00 25.43 C ATOM 420 C THR A 30 17.873 -11.624 -10.082 1.00 22.42 C ATOM 421 O THR A 30 18.228 -10.666 -10.769 1.00 23.43 O ATOM 422 CB THR A 30 16.059 -12.248 -11.678 1.00 0.51 C ATOM 423 OG1 THR A 30 14.633 -12.205 -11.804 1.00 43.34 O ATOM 424 CG2 THR A 30 16.593 -13.516 -12.326 1.00 32.22 C ATOM 0 H THR A 30 15.369 -10.437 -9.787 1.00 61.03 H new ATOM 0 HA THR A 30 16.432 -13.186 -9.772 1.00 25.43 H new ATOM 0 HB THR A 30 16.495 -11.389 -12.188 1.00 0.51 H new ATOM 0 HG1 THR A 30 14.387 -12.246 -12.752 1.00 43.34 H new ATOM 0 HG21 THR A 30 16.298 -13.540 -13.375 1.00 32.22 H new ATOM 0 HG22 THR A 30 17.681 -13.531 -12.254 1.00 32.22 H new ATOM 0 HG23 THR A 30 16.184 -14.387 -11.814 1.00 32.22 H new ATOM 432 N ARG A 31 18.677 -12.231 -9.215 1.00 1.25 N ATOM 433 CA ARG A 31 20.054 -11.794 -9.015 1.00 32.42 C ATOM 434 C ARG A 31 21.016 -12.627 -9.857 1.00 73.22 C ATOM 435 O ARG A 31 21.417 -13.722 -9.462 1.00 32.42 O ATOM 436 CB ARG A 31 20.434 -11.896 -7.537 1.00 22.34 C ATOM 437 CG ARG A 31 20.006 -13.201 -6.886 1.00 32.40 C ATOM 438 CD ARG A 31 20.547 -13.322 -5.470 1.00 65.22 C ATOM 439 NE ARG A 31 20.152 -12.192 -4.635 1.00 2.44 N ATOM 440 CZ ARG A 31 20.310 -12.162 -3.316 1.00 15.11 C ATOM 441 NH1 ARG A 31 20.851 -13.195 -2.686 1.00 64.22 N ATOM 442 NH2 ARG A 31 19.925 -11.097 -2.624 1.00 52.34 N ATOM 0 H ARG A 31 18.399 -13.026 -8.640 1.00 1.25 H new ATOM 0 HA ARG A 31 20.128 -10.754 -9.331 1.00 32.42 H new ATOM 0 HB2 ARG A 31 21.514 -11.789 -7.440 1.00 22.34 H new ATOM 0 HB3 ARG A 31 19.982 -11.065 -6.996 1.00 22.34 H new ATOM 0 HG2 ARG A 31 18.918 -13.259 -6.867 1.00 32.40 H new ATOM 0 HG3 ARG A 31 20.360 -14.040 -7.485 1.00 32.40 H new ATOM 0 HD2 ARG A 31 20.186 -14.248 -5.022 1.00 65.22 H new ATOM 0 HD3 ARG A 31 21.635 -13.387 -5.502 1.00 65.22 H new ATOM 0 HE ARG A 31 19.732 -11.381 -5.089 1.00 2.44 H new ATOM 0 HH11 ARG A 31 21.147 -14.016 -3.214 1.00 64.22 H new ATOM 0 HH12 ARG A 31 20.971 -13.169 -1.673 1.00 64.22 H new ATOM 0 HH21 ARG A 31 19.507 -10.300 -3.105 1.00 52.34 H new ATOM 0 HH22 ARG A 31 20.047 -11.075 -1.612 1.00 52.34 H new ATOM 456 N THR A 32 21.382 -12.101 -11.022 1.00 4.13 N ATOM 457 CA THR A 32 22.295 -12.795 -11.921 1.00 22.42 C ATOM 458 C THR A 32 23.740 -12.384 -11.663 1.00 22.24 C ATOM 459 O THR A 32 24.023 -11.221 -11.373 1.00 34.31 O ATOM 460 CB THR A 32 21.950 -12.518 -13.396 1.00 42.11 C ATOM 461 OG1 THR A 32 20.531 -12.561 -13.584 1.00 3.32 O ATOM 462 CG2 THR A 32 22.619 -13.535 -14.309 1.00 35.23 C ATOM 0 H THR A 32 21.060 -11.196 -11.365 1.00 4.13 H new ATOM 0 HA THR A 32 22.183 -13.861 -11.723 1.00 22.42 H new ATOM 0 HB THR A 32 22.320 -11.525 -13.652 1.00 42.11 H new ATOM 0 HG1 THR A 32 20.320 -12.382 -14.524 1.00 3.32 H new ATOM 0 HG21 THR A 32 22.361 -13.319 -15.346 1.00 35.23 H new ATOM 0 HG22 THR A 32 23.701 -13.479 -14.185 1.00 35.23 H new ATOM 0 HG23 THR A 32 22.276 -14.537 -14.051 1.00 35.23 H new ATOM 470 N TYR A 33 24.652 -13.344 -11.770 1.00 33.41 N ATOM 471 CA TYR A 33 26.068 -13.082 -11.546 1.00 44.12 C ATOM 472 C TYR A 33 26.933 -13.940 -12.464 1.00 62.24 C ATOM 473 O TYR A 33 26.777 -15.160 -12.521 1.00 64.30 O ATOM 474 CB TYR A 33 26.434 -13.350 -10.085 1.00 72.23 C ATOM 475 CG TYR A 33 26.463 -14.819 -9.728 1.00 73.24 C ATOM 476 CD1 TYR A 33 25.312 -15.475 -9.308 1.00 11.44 C ATOM 477 CD2 TYR A 33 27.640 -15.552 -9.811 1.00 4.42 C ATOM 478 CE1 TYR A 33 25.333 -16.816 -8.980 1.00 24.53 C ATOM 479 CE2 TYR A 33 27.671 -16.894 -9.486 1.00 40.04 C ATOM 480 CZ TYR A 33 26.515 -17.522 -9.071 1.00 42.22 C ATOM 481 OH TYR A 33 26.542 -18.859 -8.746 1.00 12.42 O ATOM 0 H TYR A 33 24.435 -14.311 -12.011 1.00 33.41 H new ATOM 0 HA TYR A 33 26.257 -12.033 -11.774 1.00 44.12 H new ATOM 0 HB2 TYR A 33 27.412 -12.915 -9.878 1.00 72.23 H new ATOM 0 HB3 TYR A 33 25.717 -12.842 -9.440 1.00 72.23 H new ATOM 0 HD1 TYR A 33 24.385 -14.926 -9.237 1.00 11.44 H new ATOM 0 HD2 TYR A 33 28.547 -15.064 -10.135 1.00 4.42 H new ATOM 0 HE1 TYR A 33 24.429 -17.310 -8.654 1.00 24.53 H new ATOM 0 HE2 TYR A 33 28.595 -17.449 -9.556 1.00 40.04 H new ATOM 0 HH TYR A 33 27.451 -19.206 -8.865 1.00 12.42 H new ATOM 491 N TYR A 34 27.845 -13.294 -13.181 1.00 44.44 N ATOM 492 CA TYR A 34 28.735 -13.996 -14.099 1.00 11.21 C ATOM 493 C TYR A 34 30.150 -14.073 -13.534 1.00 40.50 C ATOM 494 O TYR A 34 30.819 -15.102 -13.637 1.00 55.35 O ATOM 495 CB TYR A 34 28.754 -13.297 -15.459 1.00 51.42 C ATOM 496 CG TYR A 34 27.378 -12.953 -15.983 1.00 33.50 C ATOM 497 CD1 TYR A 34 26.623 -13.892 -16.676 1.00 33.24 C ATOM 498 CD2 TYR A 34 26.833 -11.691 -15.786 1.00 54.34 C ATOM 499 CE1 TYR A 34 25.365 -13.583 -17.157 1.00 21.23 C ATOM 500 CE2 TYR A 34 25.575 -11.373 -16.263 1.00 24.44 C ATOM 501 CZ TYR A 34 24.846 -12.323 -16.947 1.00 54.32 C ATOM 502 OH TYR A 34 23.593 -12.010 -17.424 1.00 64.04 O ATOM 0 H TYR A 34 27.988 -12.285 -13.145 1.00 44.44 H new ATOM 0 HA TYR A 34 28.358 -15.011 -14.225 1.00 11.21 H new ATOM 0 HB2 TYR A 34 29.342 -12.383 -15.380 1.00 51.42 H new ATOM 0 HB3 TYR A 34 29.258 -13.939 -16.181 1.00 51.42 H new ATOM 0 HD1 TYR A 34 27.027 -14.880 -16.841 1.00 33.24 H new ATOM 0 HD2 TYR A 34 27.402 -10.945 -15.251 1.00 54.34 H new ATOM 0 HE1 TYR A 34 24.792 -14.324 -17.694 1.00 21.23 H new ATOM 0 HE2 TYR A 34 25.166 -10.387 -16.101 1.00 24.44 H new ATOM 0 HH TYR A 34 23.376 -11.083 -17.191 1.00 64.04 H new ATOM 512 N THR A 35 30.601 -12.975 -12.935 1.00 4.13 N ATOM 513 CA THR A 35 31.936 -12.916 -12.353 1.00 44.43 C ATOM 514 C THR A 35 31.901 -12.311 -10.954 1.00 55.14 C ATOM 515 O THR A 35 30.942 -11.644 -10.565 1.00 12.03 O ATOM 516 CB THR A 35 32.896 -12.091 -13.232 1.00 71.22 C ATOM 517 OG1 THR A 35 32.900 -10.725 -12.805 1.00 15.52 O ATOM 518 CG2 THR A 35 32.490 -12.169 -14.696 1.00 42.03 C ATOM 0 H THR A 35 30.061 -12.115 -12.840 1.00 4.13 H new ATOM 0 HA THR A 35 32.299 -13.942 -12.293 1.00 44.43 H new ATOM 0 HB THR A 35 33.898 -12.507 -13.126 1.00 71.22 H new ATOM 0 HG1 THR A 35 33.514 -10.208 -13.368 1.00 15.52 H new ATOM 0 HG21 THR A 35 33.182 -11.579 -15.297 1.00 42.03 H new ATOM 0 HG22 THR A 35 32.517 -13.207 -15.026 1.00 42.03 H new ATOM 0 HG23 THR A 35 31.480 -11.776 -14.815 1.00 42.03 H new ATOM 526 N PRO A 36 32.969 -12.547 -10.179 1.00 44.23 N ATOM 527 CA PRO A 36 33.084 -12.033 -8.811 1.00 42.54 C ATOM 528 C PRO A 36 33.269 -10.519 -8.775 1.00 21.44 C ATOM 529 O PRO A 36 33.299 -9.912 -7.703 1.00 63.44 O ATOM 530 CB PRO A 36 34.331 -12.737 -8.271 1.00 43.11 C ATOM 531 CG PRO A 36 35.139 -13.059 -9.481 1.00 53.40 C ATOM 532 CD PRO A 36 34.148 -13.333 -10.579 1.00 24.43 C ATOM 0 HA PRO A 36 32.184 -12.224 -8.227 1.00 42.54 H new ATOM 0 HB2 PRO A 36 34.883 -12.094 -7.586 1.00 43.11 H new ATOM 0 HB3 PRO A 36 34.068 -13.639 -7.719 1.00 43.11 H new ATOM 0 HG2 PRO A 36 35.794 -12.229 -9.745 1.00 53.40 H new ATOM 0 HG3 PRO A 36 35.777 -13.925 -9.305 1.00 53.40 H new ATOM 0 HD2 PRO A 36 34.529 -13.020 -11.551 1.00 24.43 H new ATOM 0 HD3 PRO A 36 33.916 -14.395 -10.655 1.00 24.43 H new ATOM 540 N THR A 37 33.392 -9.914 -9.952 1.00 3.12 N ATOM 541 CA THR A 37 33.575 -8.472 -10.054 1.00 51.41 C ATOM 542 C THR A 37 32.513 -7.845 -10.951 1.00 64.31 C ATOM 543 O THR A 37 32.470 -6.627 -11.120 1.00 1.54 O ATOM 544 CB THR A 37 34.969 -8.120 -10.605 1.00 45.43 C ATOM 545 OG1 THR A 37 35.182 -8.780 -11.858 1.00 51.42 O ATOM 546 CG2 THR A 37 36.058 -8.524 -9.622 1.00 52.04 C ATOM 0 H THR A 37 33.368 -10.401 -10.848 1.00 3.12 H new ATOM 0 HA THR A 37 33.479 -8.069 -9.046 1.00 51.41 H new ATOM 0 HB THR A 37 35.015 -7.041 -10.751 1.00 45.43 H new ATOM 0 HG1 THR A 37 36.070 -8.550 -12.202 1.00 51.42 H new ATOM 0 HG21 THR A 37 37.034 -8.265 -10.033 1.00 52.04 H new ATOM 0 HG22 THR A 37 35.911 -7.997 -8.679 1.00 52.04 H new ATOM 0 HG23 THR A 37 36.011 -9.599 -9.448 1.00 52.04 H new ATOM 554 N ARG A 38 31.658 -8.686 -11.524 1.00 64.02 N ATOM 555 CA ARG A 38 30.597 -8.214 -12.405 1.00 12.12 C ATOM 556 C ARG A 38 29.309 -8.999 -12.174 1.00 22.52 C ATOM 557 O ARG A 38 29.247 -10.200 -12.439 1.00 11.42 O ATOM 558 CB ARG A 38 31.026 -8.337 -13.868 1.00 3.31 C ATOM 559 CG ARG A 38 31.712 -7.092 -14.408 1.00 31.30 C ATOM 560 CD ARG A 38 30.705 -6.101 -14.971 1.00 31.43 C ATOM 561 NE ARG A 38 31.352 -4.905 -15.502 1.00 5.02 N ATOM 562 CZ ARG A 38 30.687 -3.851 -15.960 1.00 74.14 C ATOM 563 NH1 ARG A 38 29.361 -3.846 -15.952 1.00 53.44 N ATOM 564 NH2 ARG A 38 31.347 -2.799 -16.428 1.00 20.41 N ATOM 0 H ARG A 38 31.680 -9.697 -11.394 1.00 64.02 H new ATOM 0 HA ARG A 38 30.409 -7.165 -12.176 1.00 12.12 H new ATOM 0 HB2 ARG A 38 31.701 -9.187 -13.970 1.00 3.31 H new ATOM 0 HB3 ARG A 38 30.149 -8.552 -14.478 1.00 3.31 H new ATOM 0 HG2 ARG A 38 32.286 -6.617 -13.612 1.00 31.30 H new ATOM 0 HG3 ARG A 38 32.421 -7.374 -15.187 1.00 31.30 H new ATOM 0 HD2 ARG A 38 30.127 -6.581 -15.760 1.00 31.43 H new ATOM 0 HD3 ARG A 38 30.001 -5.816 -14.189 1.00 31.43 H new ATOM 0 HE ARG A 38 32.371 -4.877 -15.522 1.00 5.02 H new ATOM 0 HH11 ARG A 38 28.850 -4.653 -15.594 1.00 53.44 H new ATOM 0 HH12 ARG A 38 28.852 -3.035 -16.304 1.00 53.44 H new ATOM 0 HH21 ARG A 38 32.367 -2.799 -16.436 1.00 20.41 H new ATOM 0 HH22 ARG A 38 30.834 -1.990 -16.779 1.00 20.41 H new ATOM 578 N MET A 39 28.285 -8.314 -11.678 1.00 14.41 N ATOM 579 CA MET A 39 26.998 -8.947 -11.412 1.00 24.40 C ATOM 580 C MET A 39 25.847 -8.018 -11.783 1.00 2.21 C ATOM 581 O MET A 39 26.060 -6.851 -12.114 1.00 34.12 O ATOM 582 CB MET A 39 26.895 -9.342 -9.938 1.00 25.45 C ATOM 583 CG MET A 39 27.198 -8.201 -8.980 1.00 65.31 C ATOM 584 SD MET A 39 28.942 -8.119 -8.528 1.00 11.52 S ATOM 585 CE MET A 39 29.186 -6.346 -8.442 1.00 73.14 C ATOM 0 H MET A 39 28.321 -7.320 -11.452 1.00 14.41 H new ATOM 0 HA MET A 39 26.929 -9.844 -12.027 1.00 24.40 H new ATOM 0 HB2 MET A 39 25.890 -9.715 -9.740 1.00 25.45 H new ATOM 0 HB3 MET A 39 27.584 -10.163 -9.741 1.00 25.45 H new ATOM 0 HG2 MET A 39 26.901 -7.258 -9.439 1.00 65.31 H new ATOM 0 HG3 MET A 39 26.598 -8.320 -8.078 1.00 65.31 H new ATOM 0 HE1 MET A 39 30.216 -6.134 -8.154 1.00 73.14 H new ATOM 0 HE2 MET A 39 28.983 -5.903 -9.417 1.00 73.14 H new ATOM 0 HE3 MET A 39 28.508 -5.921 -7.702 1.00 73.14 H new ATOM 595 N LYS A 40 24.628 -8.542 -11.726 1.00 54.10 N ATOM 596 CA LYS A 40 23.442 -7.760 -12.055 1.00 10.51 C ATOM 597 C LYS A 40 22.229 -8.256 -11.275 1.00 72.31 C ATOM 598 O LYS A 40 22.115 -9.445 -10.975 1.00 4.34 O ATOM 599 CB LYS A 40 23.160 -7.830 -13.557 1.00 73.13 C ATOM 600 CG LYS A 40 21.733 -7.461 -13.926 1.00 63.12 C ATOM 601 CD LYS A 40 21.522 -7.486 -15.431 1.00 21.13 C ATOM 602 CE LYS A 40 21.912 -6.162 -16.070 1.00 74.33 C ATOM 603 NZ LYS A 40 21.089 -5.034 -15.554 1.00 54.44 N ATOM 0 H LYS A 40 24.435 -9.506 -11.455 1.00 54.10 H new ATOM 0 HA LYS A 40 23.632 -6.724 -11.775 1.00 10.51 H new ATOM 0 HB2 LYS A 40 23.846 -7.162 -14.078 1.00 73.13 H new ATOM 0 HB3 LYS A 40 23.368 -8.840 -13.911 1.00 73.13 H new ATOM 0 HG2 LYS A 40 21.042 -8.156 -13.449 1.00 63.12 H new ATOM 0 HG3 LYS A 40 21.502 -6.467 -13.542 1.00 63.12 H new ATOM 0 HD2 LYS A 40 22.113 -8.291 -15.869 1.00 21.13 H new ATOM 0 HD3 LYS A 40 20.476 -7.703 -15.649 1.00 21.13 H new ATOM 0 HE2 LYS A 40 22.966 -5.961 -15.876 1.00 74.33 H new ATOM 0 HE3 LYS A 40 21.795 -6.232 -17.151 1.00 74.33 H new ATOM 0 HZ1 LYS A 40 20.449 -4.701 -16.303 1.00 54.44 H new ATOM 0 HZ2 LYS A 40 20.530 -5.357 -14.738 1.00 54.44 H new ATOM 0 HZ3 LYS A 40 21.713 -4.255 -15.260 1.00 54.44 H new ATOM 617 N VAL A 41 21.323 -7.339 -10.951 1.00 51.12 N ATOM 618 CA VAL A 41 20.117 -7.684 -10.209 1.00 34.52 C ATOM 619 C VAL A 41 18.877 -7.087 -10.865 1.00 42.31 C ATOM 620 O VAL A 41 18.958 -6.074 -11.560 1.00 74.14 O ATOM 621 CB VAL A 41 20.197 -7.198 -8.750 1.00 12.43 C ATOM 622 CG1 VAL A 41 20.181 -5.678 -8.692 1.00 40.32 C ATOM 623 CG2 VAL A 41 19.056 -7.782 -7.930 1.00 25.20 C ATOM 0 H VAL A 41 21.402 -6.351 -11.191 1.00 51.12 H new ATOM 0 HA VAL A 41 20.041 -8.771 -10.218 1.00 34.52 H new ATOM 0 HB VAL A 41 21.137 -7.545 -8.321 1.00 12.43 H new ATOM 0 HG11 VAL A 41 20.238 -5.353 -7.653 1.00 40.32 H new ATOM 0 HG12 VAL A 41 21.035 -5.284 -9.243 1.00 40.32 H new ATOM 0 HG13 VAL A 41 19.258 -5.307 -9.138 1.00 40.32 H new ATOM 0 HG21 VAL A 41 19.129 -7.428 -6.902 1.00 25.20 H new ATOM 0 HG22 VAL A 41 18.103 -7.467 -8.356 1.00 25.20 H new ATOM 0 HG23 VAL A 41 19.118 -8.870 -7.944 1.00 25.20 H new ATOM 633 N SER A 42 17.731 -7.720 -10.639 1.00 73.20 N ATOM 634 CA SER A 42 16.473 -7.253 -11.211 1.00 45.02 C ATOM 635 C SER A 42 15.305 -7.561 -10.280 1.00 1.03 C ATOM 636 O SER A 42 15.120 -8.701 -9.852 1.00 1.52 O ATOM 637 CB SER A 42 16.237 -7.903 -12.576 1.00 43.51 C ATOM 638 OG SER A 42 15.767 -9.232 -12.434 1.00 12.42 O ATOM 0 H SER A 42 17.647 -8.558 -10.064 1.00 73.20 H new ATOM 0 HA SER A 42 16.539 -6.172 -11.337 1.00 45.02 H new ATOM 0 HB2 SER A 42 15.513 -7.316 -13.141 1.00 43.51 H new ATOM 0 HB3 SER A 42 17.165 -7.901 -13.148 1.00 43.51 H new ATOM 0 HG SER A 42 15.556 -9.406 -11.493 1.00 12.42 H new ATOM 644 N LYS A 43 14.518 -6.536 -9.969 1.00 63.32 N ATOM 645 CA LYS A 43 13.366 -6.695 -9.090 1.00 2.33 C ATOM 646 C LYS A 43 12.144 -5.983 -9.661 1.00 11.24 C ATOM 647 O LYS A 43 12.248 -4.874 -10.184 1.00 1.50 O ATOM 648 CB LYS A 43 13.683 -6.148 -7.696 1.00 45.31 C ATOM 649 CG LYS A 43 14.959 -6.714 -7.096 1.00 73.22 C ATOM 650 CD LYS A 43 15.626 -5.719 -6.162 1.00 14.40 C ATOM 651 CE LYS A 43 16.853 -6.318 -5.492 1.00 73.24 C ATOM 652 NZ LYS A 43 16.516 -7.540 -4.710 1.00 43.12 N ATOM 0 H LYS A 43 14.658 -5.586 -10.313 1.00 63.32 H new ATOM 0 HA LYS A 43 13.142 -7.759 -9.014 1.00 2.33 H new ATOM 0 HB2 LYS A 43 13.768 -5.063 -7.751 1.00 45.31 H new ATOM 0 HB3 LYS A 43 12.849 -6.369 -7.030 1.00 45.31 H new ATOM 0 HG2 LYS A 43 14.730 -7.630 -6.550 1.00 73.22 H new ATOM 0 HG3 LYS A 43 15.650 -6.983 -7.895 1.00 73.22 H new ATOM 0 HD2 LYS A 43 15.914 -4.830 -6.722 1.00 14.40 H new ATOM 0 HD3 LYS A 43 14.914 -5.400 -5.401 1.00 14.40 H new ATOM 0 HE2 LYS A 43 17.596 -6.565 -6.250 1.00 73.24 H new ATOM 0 HE3 LYS A 43 17.305 -5.577 -4.832 1.00 73.24 H new ATOM 0 HZ1 LYS A 43 17.271 -8.245 -4.826 1.00 43.12 H new ATOM 0 HZ2 LYS A 43 16.423 -7.294 -3.704 1.00 43.12 H new ATOM 0 HZ3 LYS A 43 15.618 -7.935 -5.054 1.00 43.12 H new ATOM 666 N SER A 44 10.986 -6.627 -9.555 1.00 22.30 N ATOM 667 CA SER A 44 9.744 -6.056 -10.063 1.00 23.30 C ATOM 668 C SER A 44 8.536 -6.688 -9.379 1.00 20.24 C ATOM 669 O SER A 44 8.671 -7.642 -8.611 1.00 14.40 O ATOM 670 CB SER A 44 9.649 -6.255 -11.577 1.00 12.31 C ATOM 671 OG SER A 44 9.342 -7.601 -11.897 1.00 12.35 O ATOM 0 H SER A 44 10.882 -7.545 -9.122 1.00 22.30 H new ATOM 0 HA SER A 44 9.747 -4.988 -9.843 1.00 23.30 H new ATOM 0 HB2 SER A 44 8.882 -5.597 -11.986 1.00 12.31 H new ATOM 0 HB3 SER A 44 10.593 -5.973 -12.044 1.00 12.31 H new ATOM 0 HG SER A 44 9.285 -7.701 -12.870 1.00 12.35 H new ATOM 677 N CYS A 45 7.355 -6.150 -9.662 1.00 53.14 N ATOM 678 CA CYS A 45 6.121 -6.659 -9.075 1.00 41.34 C ATOM 679 C CYS A 45 5.344 -7.498 -10.085 1.00 71.13 C ATOM 680 O CYS A 45 4.978 -7.017 -11.158 1.00 62.40 O ATOM 681 CB CYS A 45 5.251 -5.501 -8.581 1.00 44.13 C ATOM 682 SG CYS A 45 5.560 -5.026 -6.850 1.00 14.31 S ATOM 0 H CYS A 45 7.226 -5.361 -10.295 1.00 53.14 H new ATOM 0 HA CYS A 45 6.385 -7.293 -8.229 1.00 41.34 H new ATOM 0 HB2 CYS A 45 5.421 -4.635 -9.220 1.00 44.13 H new ATOM 0 HB3 CYS A 45 4.202 -5.777 -8.689 1.00 44.13 H new ATOM 687 N VAL A 46 5.095 -8.756 -9.734 1.00 52.21 N ATOM 688 CA VAL A 46 4.360 -9.662 -10.608 1.00 62.42 C ATOM 689 C VAL A 46 3.407 -10.544 -9.809 1.00 52.13 C ATOM 690 O VAL A 46 3.636 -10.848 -8.638 1.00 44.44 O ATOM 691 CB VAL A 46 5.316 -10.560 -11.417 1.00 12.23 C ATOM 692 CG1 VAL A 46 6.240 -9.715 -12.280 1.00 0.40 C ATOM 693 CG2 VAL A 46 6.116 -11.459 -10.487 1.00 30.32 C ATOM 0 H VAL A 46 5.392 -9.170 -8.850 1.00 52.21 H new ATOM 0 HA VAL A 46 3.786 -9.042 -11.296 1.00 62.42 H new ATOM 0 HB VAL A 46 4.722 -11.194 -12.076 1.00 12.23 H new ATOM 0 HG11 VAL A 46 6.908 -10.366 -12.844 1.00 0.40 H new ATOM 0 HG12 VAL A 46 5.646 -9.117 -12.972 1.00 0.40 H new ATOM 0 HG13 VAL A 46 6.829 -9.055 -11.644 1.00 0.40 H new ATOM 0 HG21 VAL A 46 6.786 -12.086 -11.075 1.00 30.32 H new ATOM 0 HG22 VAL A 46 6.701 -10.845 -9.802 1.00 30.32 H new ATOM 0 HG23 VAL A 46 5.435 -12.090 -9.917 1.00 30.32 H new ATOM 703 N PRO A 47 2.310 -10.966 -10.455 1.00 71.33 N ATOM 704 CA PRO A 47 1.299 -11.820 -9.824 1.00 63.44 C ATOM 705 C PRO A 47 1.812 -13.233 -9.569 1.00 22.52 C ATOM 706 O PRO A 47 1.641 -13.778 -8.478 1.00 61.21 O ATOM 707 CB PRO A 47 0.163 -11.841 -10.849 1.00 74.44 C ATOM 708 CG PRO A 47 0.825 -11.567 -12.155 1.00 50.23 C ATOM 709 CD PRO A 47 1.972 -10.643 -11.852 1.00 30.13 C ATOM 0 HA PRO A 47 1.001 -11.444 -8.845 1.00 63.44 H new ATOM 0 HB2 PRO A 47 -0.345 -12.806 -10.857 1.00 74.44 H new ATOM 0 HB3 PRO A 47 -0.590 -11.086 -10.621 1.00 74.44 H new ATOM 0 HG2 PRO A 47 1.178 -12.490 -12.615 1.00 50.23 H new ATOM 0 HG3 PRO A 47 0.129 -11.108 -12.857 1.00 50.23 H new ATOM 0 HD2 PRO A 47 2.815 -10.817 -12.520 1.00 30.13 H new ATOM 0 HD3 PRO A 47 1.686 -9.597 -11.965 1.00 30.13 H new ATOM 717 N ARG A 48 2.442 -13.822 -10.581 1.00 11.53 N ATOM 718 CA ARG A 48 2.979 -15.172 -10.465 1.00 41.11 C ATOM 719 C ARG A 48 4.501 -15.144 -10.354 1.00 34.02 C ATOM 720 O ARG A 48 5.167 -14.343 -11.010 1.00 3.13 O ATOM 721 CB ARG A 48 2.561 -16.015 -11.671 1.00 34.21 C ATOM 722 CG ARG A 48 1.117 -15.798 -12.095 1.00 2.24 C ATOM 723 CD ARG A 48 0.603 -16.956 -12.936 1.00 0.15 C ATOM 724 NE ARG A 48 0.122 -18.060 -12.110 1.00 71.40 N ATOM 725 CZ ARG A 48 -0.270 -19.230 -12.603 1.00 41.01 C ATOM 726 NH1 ARG A 48 -0.237 -19.446 -13.911 1.00 33.22 N ATOM 727 NH2 ARG A 48 -0.695 -20.186 -11.787 1.00 71.35 N ATOM 0 H ARG A 48 2.593 -13.385 -11.490 1.00 11.53 H new ATOM 0 HA ARG A 48 2.574 -15.621 -9.558 1.00 41.11 H new ATOM 0 HB2 ARG A 48 3.216 -15.783 -12.511 1.00 34.21 H new ATOM 0 HB3 ARG A 48 2.707 -17.069 -11.435 1.00 34.21 H new ATOM 0 HG2 ARG A 48 0.490 -15.683 -11.211 1.00 2.24 H new ATOM 0 HG3 ARG A 48 1.039 -14.871 -12.664 1.00 2.24 H new ATOM 0 HD2 ARG A 48 -0.204 -16.606 -13.580 1.00 0.15 H new ATOM 0 HD3 ARG A 48 1.400 -17.312 -13.589 1.00 0.15 H new ATOM 0 HE ARG A 48 0.085 -17.926 -11.100 1.00 71.40 H new ATOM 0 HH11 ARG A 48 0.090 -18.713 -14.541 1.00 33.22 H new ATOM 0 HH12 ARG A 48 -0.538 -20.345 -14.287 1.00 33.22 H new ATOM 0 HH21 ARG A 48 -0.721 -20.023 -10.780 1.00 71.35 H new ATOM 0 HH22 ARG A 48 -0.996 -21.084 -12.166 1.00 71.35 H new ATOM 741 N CYS A 49 5.044 -16.024 -9.519 1.00 11.51 N ATOM 742 CA CYS A 49 6.486 -16.100 -9.320 1.00 61.10 C ATOM 743 C CYS A 49 7.138 -16.965 -10.395 1.00 22.44 C ATOM 744 O CYS A 49 6.583 -17.983 -10.809 1.00 52.02 O ATOM 745 CB CYS A 49 6.801 -16.665 -7.934 1.00 25.23 C ATOM 746 SG CYS A 49 8.563 -17.046 -7.669 1.00 61.44 S ATOM 0 H CYS A 49 4.507 -16.694 -8.969 1.00 11.51 H new ATOM 0 HA CYS A 49 6.892 -15.091 -9.394 1.00 61.10 H new ATOM 0 HB2 CYS A 49 6.478 -15.948 -7.179 1.00 25.23 H new ATOM 0 HB3 CYS A 49 6.217 -17.573 -7.782 1.00 25.23 H new ATOM 937 N SER A 62 22.359 -17.865 -11.778 1.00 23.13 N ATOM 938 CA SER A 62 21.186 -17.018 -11.594 1.00 64.25 C ATOM 939 C SER A 62 20.313 -17.539 -10.457 1.00 1.52 C ATOM 940 O SER A 62 19.882 -18.692 -10.466 1.00 54.03 O ATOM 941 CB SER A 62 20.372 -16.951 -12.888 1.00 63.40 C ATOM 942 OG SER A 62 21.211 -17.059 -14.025 1.00 24.41 O ATOM 0 HA SER A 62 21.528 -16.016 -11.336 1.00 64.25 H new ATOM 0 HB2 SER A 62 19.634 -17.753 -12.899 1.00 63.40 H new ATOM 0 HB3 SER A 62 19.821 -16.011 -12.927 1.00 63.40 H new ATOM 0 HG SER A 62 22.087 -17.405 -13.754 1.00 24.41 H new ATOM 948 N THR A 63 20.056 -16.679 -9.476 1.00 11.12 N ATOM 949 CA THR A 63 19.236 -17.050 -8.330 1.00 34.12 C ATOM 950 C THR A 63 17.958 -16.220 -8.276 1.00 71.53 C ATOM 951 O THR A 63 17.965 -15.078 -7.816 1.00 61.20 O ATOM 952 CB THR A 63 20.005 -16.873 -7.007 1.00 40.22 C ATOM 953 OG1 THR A 63 21.406 -17.077 -7.224 1.00 53.21 O ATOM 954 CG2 THR A 63 19.502 -17.848 -5.954 1.00 24.52 C ATOM 0 H THR A 63 20.404 -15.721 -9.453 1.00 11.12 H new ATOM 0 HA THR A 63 18.978 -18.102 -8.454 1.00 34.12 H new ATOM 0 HB THR A 63 19.838 -15.858 -6.648 1.00 40.22 H new ATOM 0 HG1 THR A 63 21.888 -16.961 -6.379 1.00 53.21 H new ATOM 0 HG21 THR A 63 20.060 -17.704 -5.029 1.00 24.52 H new ATOM 0 HG22 THR A 63 18.442 -17.670 -5.770 1.00 24.52 H new ATOM 0 HG23 THR A 63 19.643 -18.870 -6.307 1.00 24.52 H new ATOM 962 N THR A 64 16.860 -16.802 -8.750 1.00 11.25 N ATOM 963 CA THR A 64 15.574 -16.116 -8.756 1.00 0.10 C ATOM 964 C THR A 64 14.722 -16.534 -7.563 1.00 50.30 C ATOM 965 O THR A 64 14.417 -17.713 -7.389 1.00 31.42 O ATOM 966 CB THR A 64 14.793 -16.398 -10.054 1.00 5.33 C ATOM 967 OG1 THR A 64 15.679 -16.349 -11.178 1.00 73.42 O ATOM 968 CG2 THR A 64 13.672 -15.387 -10.241 1.00 20.01 C ATOM 0 H THR A 64 16.836 -17.746 -9.134 1.00 11.25 H new ATOM 0 HA THR A 64 15.785 -15.049 -8.692 1.00 0.10 H new ATOM 0 HB THR A 64 14.355 -17.393 -9.980 1.00 5.33 H new ATOM 0 HG1 THR A 64 15.176 -16.531 -11.999 1.00 73.42 H new ATOM 0 HG21 THR A 64 13.135 -15.606 -11.164 1.00 20.01 H new ATOM 0 HG22 THR A 64 12.984 -15.446 -9.398 1.00 20.01 H new ATOM 0 HG23 THR A 64 14.093 -14.383 -10.296 1.00 20.01 H new ATOM 976 N SER A 65 14.340 -15.559 -6.744 1.00 40.21 N ATOM 977 CA SER A 65 13.525 -15.826 -5.565 1.00 30.51 C ATOM 978 C SER A 65 12.404 -14.800 -5.435 1.00 52.11 C ATOM 979 O SER A 65 12.583 -13.624 -5.754 1.00 13.04 O ATOM 980 CB SER A 65 14.393 -15.813 -4.305 1.00 51.41 C ATOM 981 OG SER A 65 15.426 -16.780 -4.387 1.00 14.54 O ATOM 0 H SER A 65 14.582 -14.577 -6.876 1.00 40.21 H new ATOM 0 HA SER A 65 13.078 -16.814 -5.679 1.00 30.51 H new ATOM 0 HB2 SER A 65 14.828 -14.823 -4.169 1.00 51.41 H new ATOM 0 HB3 SER A 65 13.773 -16.012 -3.431 1.00 51.41 H new ATOM 0 HG SER A 65 15.967 -16.750 -3.571 1.00 14.54 H new ATOM 987 N CYS A 66 11.247 -15.253 -4.965 1.00 74.41 N ATOM 988 CA CYS A 66 10.094 -14.377 -4.793 1.00 5.14 C ATOM 989 C CYS A 66 9.636 -14.361 -3.337 1.00 44.41 C ATOM 990 O CYS A 66 10.129 -15.129 -2.511 1.00 22.31 O ATOM 991 CB CYS A 66 8.945 -14.828 -5.696 1.00 14.34 C ATOM 992 SG CYS A 66 9.456 -15.263 -7.389 1.00 52.32 S ATOM 0 H CYS A 66 11.083 -16.223 -4.696 1.00 74.41 H new ATOM 0 HA CYS A 66 10.392 -13.367 -5.073 1.00 5.14 H new ATOM 0 HB2 CYS A 66 8.458 -15.691 -5.242 1.00 14.34 H new ATOM 0 HB3 CYS A 66 8.202 -14.032 -5.746 1.00 14.34 H new ATOM 997 N CYS A 67 8.690 -13.480 -3.030 1.00 41.44 N ATOM 998 CA CYS A 67 8.165 -13.362 -1.676 1.00 15.33 C ATOM 999 C CYS A 67 6.852 -12.583 -1.667 1.00 62.02 C ATOM 1000 O CYS A 67 6.376 -12.139 -2.712 1.00 5.03 O ATOM 1001 CB CYS A 67 9.185 -12.672 -0.768 1.00 63.14 C ATOM 1002 SG CYS A 67 10.191 -11.406 -1.608 1.00 71.30 S ATOM 0 H CYS A 67 8.271 -12.837 -3.702 1.00 41.44 H new ATOM 0 HA CYS A 67 7.974 -14.367 -1.299 1.00 15.33 H new ATOM 0 HB2 CYS A 67 8.658 -12.208 0.066 1.00 63.14 H new ATOM 0 HB3 CYS A 67 9.848 -13.427 -0.345 1.00 63.14 H new ATOM 1007 N GLN A 68 6.274 -12.422 -0.482 1.00 33.05 N ATOM 1008 CA GLN A 68 5.016 -11.698 -0.338 1.00 5.45 C ATOM 1009 C GLN A 68 5.090 -10.703 0.816 1.00 24.14 C ATOM 1010 O GLN A 68 4.077 -10.139 1.229 1.00 34.41 O ATOM 1011 CB GLN A 68 3.863 -12.676 -0.110 1.00 52.11 C ATOM 1012 CG GLN A 68 2.493 -12.074 -0.377 1.00 52.23 C ATOM 1013 CD GLN A 68 1.379 -13.098 -0.294 1.00 34.42 C ATOM 1014 OE1 GLN A 68 1.368 -14.083 -1.034 1.00 0.43 O ATOM 1015 NE2 GLN A 68 0.433 -12.872 0.610 1.00 33.32 N ATOM 0 H GLN A 68 6.656 -12.783 0.392 1.00 33.05 H new ATOM 0 HA GLN A 68 4.837 -11.145 -1.260 1.00 5.45 H new ATOM 0 HB2 GLN A 68 4.001 -13.544 -0.755 1.00 52.11 H new ATOM 0 HB3 GLN A 68 3.899 -13.034 0.919 1.00 52.11 H new ATOM 0 HG2 GLN A 68 2.304 -11.278 0.343 1.00 52.23 H new ATOM 0 HG3 GLN A 68 2.488 -11.617 -1.366 1.00 52.23 H new ATOM 0 HE21 GLN A 68 0.481 -12.043 1.202 1.00 33.32 H new ATOM 0 HE22 GLN A 68 -0.342 -13.527 0.712 1.00 33.32 H new ATOM 1024 N TYR A 69 6.296 -10.493 1.333 1.00 11.21 N ATOM 1025 CA TYR A 69 6.502 -9.568 2.442 1.00 74.33 C ATOM 1026 C TYR A 69 6.948 -8.200 1.935 1.00 72.34 C ATOM 1027 O TYR A 69 7.645 -8.097 0.925 1.00 25.15 O ATOM 1028 CB TYR A 69 7.541 -10.128 3.414 1.00 63.21 C ATOM 1029 CG TYR A 69 8.079 -9.100 4.384 1.00 72.23 C ATOM 1030 CD1 TYR A 69 7.242 -8.480 5.303 1.00 0.14 C ATOM 1031 CD2 TYR A 69 9.423 -8.748 4.380 1.00 71.51 C ATOM 1032 CE1 TYR A 69 7.728 -7.540 6.191 1.00 44.51 C ATOM 1033 CE2 TYR A 69 9.918 -7.810 5.265 1.00 63.43 C ATOM 1034 CZ TYR A 69 9.067 -7.209 6.168 1.00 2.40 C ATOM 1035 OH TYR A 69 9.557 -6.273 7.050 1.00 14.41 O ATOM 0 H TYR A 69 7.145 -10.951 1.002 1.00 11.21 H new ATOM 0 HA TYR A 69 5.553 -9.450 2.964 1.00 74.33 H new ATOM 0 HB2 TYR A 69 7.095 -10.948 3.977 1.00 63.21 H new ATOM 0 HB3 TYR A 69 8.371 -10.547 2.844 1.00 63.21 H new ATOM 0 HD1 TYR A 69 6.193 -8.737 5.324 1.00 0.14 H new ATOM 0 HD2 TYR A 69 10.092 -9.216 3.673 1.00 71.51 H new ATOM 0 HE1 TYR A 69 7.064 -7.067 6.899 1.00 44.51 H new ATOM 0 HE2 TYR A 69 10.966 -7.549 5.250 1.00 63.43 H new ATOM 0 HH TYR A 69 10.519 -6.157 6.903 1.00 14.41 H new ATOM 1045 N ASP A 70 6.541 -7.153 2.643 1.00 55.34 N ATOM 1046 CA ASP A 70 6.899 -5.790 2.267 1.00 52.11 C ATOM 1047 C ASP A 70 8.414 -5.621 2.215 1.00 61.24 C ATOM 1048 O ASP A 70 9.127 -6.029 3.133 1.00 51.03 O ATOM 1049 CB ASP A 70 6.296 -4.790 3.255 1.00 33.41 C ATOM 1050 CG ASP A 70 4.796 -4.642 3.086 1.00 24.33 C ATOM 1051 OD1 ASP A 70 4.357 -4.277 1.975 1.00 22.44 O ATOM 1052 OD2 ASP A 70 4.062 -4.892 4.065 1.00 61.23 O ATOM 0 H ASP A 70 5.963 -7.221 3.481 1.00 55.34 H new ATOM 0 HA ASP A 70 6.495 -5.596 1.273 1.00 52.11 H new ATOM 0 HB2 ASP A 70 6.514 -5.113 4.273 1.00 33.41 H new ATOM 0 HB3 ASP A 70 6.772 -3.819 3.120 1.00 33.41 H new ATOM 1057 N LEU A 71 8.900 -5.019 1.135 1.00 61.11 N ATOM 1058 CA LEU A 71 10.332 -4.797 0.962 1.00 75.02 C ATOM 1059 C LEU A 71 11.118 -6.075 1.235 1.00 32.14 C ATOM 1060 O LEU A 71 12.245 -6.030 1.729 1.00 43.35 O ATOM 1061 CB LEU A 71 10.811 -3.681 1.892 1.00 54.03 C ATOM 1062 CG LEU A 71 9.995 -2.388 1.864 1.00 44.45 C ATOM 1063 CD1 LEU A 71 10.660 -1.319 2.717 1.00 1.04 C ATOM 1064 CD2 LEU A 71 9.821 -1.898 0.433 1.00 23.03 C ATOM 0 H LEU A 71 8.324 -4.676 0.366 1.00 61.11 H new ATOM 0 HA LEU A 71 10.506 -4.499 -0.072 1.00 75.02 H new ATOM 0 HB2 LEU A 71 10.815 -4.063 2.913 1.00 54.03 H new ATOM 0 HB3 LEU A 71 11.843 -3.441 1.637 1.00 54.03 H new ATOM 0 HG LEU A 71 9.009 -2.594 2.279 1.00 44.45 H new ATOM 0 HD11 LEU A 71 10.065 -0.406 2.685 1.00 1.04 H new ATOM 0 HD12 LEU A 71 10.733 -1.669 3.747 1.00 1.04 H new ATOM 0 HD13 LEU A 71 11.659 -1.115 2.331 1.00 1.04 H new ATOM 0 HD21 LEU A 71 9.238 -0.977 0.432 1.00 23.03 H new ATOM 0 HD22 LEU A 71 10.800 -1.708 -0.008 1.00 23.03 H new ATOM 0 HD23 LEU A 71 9.301 -2.657 -0.151 1.00 23.03 H new ATOM 1076 N CYS A 72 10.517 -7.215 0.910 1.00 15.43 N ATOM 1077 CA CYS A 72 11.160 -8.506 1.119 1.00 61.02 C ATOM 1078 C CYS A 72 12.382 -8.657 0.217 1.00 54.02 C ATOM 1079 O CYS A 72 13.329 -9.366 0.552 1.00 44.01 O ATOM 1080 CB CYS A 72 10.171 -9.642 0.850 1.00 13.33 C ATOM 1081 SG CYS A 72 9.553 -9.700 -0.862 1.00 70.34 S ATOM 0 H CYS A 72 9.584 -7.270 0.500 1.00 15.43 H new ATOM 0 HA CYS A 72 11.487 -8.557 2.157 1.00 61.02 H new ATOM 0 HB2 CYS A 72 10.653 -10.592 1.083 1.00 13.33 H new ATOM 0 HB3 CYS A 72 9.323 -9.540 1.528 1.00 13.33 H new ATOM 1086 N ASN A 73 12.351 -7.985 -0.929 1.00 52.52 N ATOM 1087 CA ASN A 73 13.455 -8.044 -1.880 1.00 51.21 C ATOM 1088 C ASN A 73 14.430 -6.893 -1.654 1.00 3.34 C ATOM 1089 O ASN A 73 15.122 -6.461 -2.575 1.00 23.24 O ATOM 1090 CB ASN A 73 12.923 -8.002 -3.314 1.00 42.22 C ATOM 1091 CG ASN A 73 12.221 -6.696 -3.632 1.00 52.13 C ATOM 1092 OD1 ASN A 73 12.112 -5.813 -2.781 1.00 34.52 O ATOM 1093 ND2 ASN A 73 11.740 -6.568 -4.864 1.00 1.55 N ATOM 0 H ASN A 73 11.573 -7.393 -1.222 1.00 52.52 H new ATOM 0 HA ASN A 73 13.986 -8.983 -1.724 1.00 51.21 H new ATOM 0 HB2 ASN A 73 13.750 -8.146 -4.010 1.00 42.22 H new ATOM 0 HB3 ASN A 73 12.231 -8.830 -3.466 1.00 42.22 H new ATOM 0 HD21 ASN A 73 11.257 -5.712 -5.137 1.00 1.55 H new ATOM 0 HD22 ASN A 73 11.853 -7.326 -5.537 1.00 1.55 H new ATOM 1100 N GLY A 74 14.480 -6.400 -0.420 1.00 32.15 N ATOM 1101 CA GLY A 74 15.373 -5.304 -0.094 1.00 25.14 C ATOM 1102 C GLY A 74 16.770 -5.779 0.257 1.00 35.12 C ATOM 1103 O GLY A 74 17.461 -6.364 -0.576 1.00 72.42 O ATOM 0 H GLY A 74 13.918 -6.741 0.360 1.00 32.15 H new ATOM 0 HA2 GLY A 74 15.427 -4.620 -0.941 1.00 25.14 H new ATOM 0 HA3 GLY A 74 14.962 -4.742 0.745 1.00 25.14 H new