USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 376 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 34 CYS SG : rot 10:sc= -24.8! USER MOD Set 1.2: A 40 CYS SG : rot 170:sc= -24.7! USER MOD Set 2.1: A 23 HIS : no HE2:sc= -0.993 K(o=-0.29,f=-3.9) USER MOD Set 2.2: A 32 LYS NZ :NH3+ -150:sc= 0.699 (180deg=0) USER MOD Set 3.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 26 SER OG : rot 95:sc= 1.29 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.079 X(o=-0.079,f=-0.0065) USER MOD Single : A 4 ASN : amide:sc= -0.757 K(o=-0.76,f=-0.0088) USER MOD Single : A 5 THR OG1 : rot -46:sc= 0.937 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -4.07! K(o=-4.1!,f=-0.24) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -95:sc= 0.446 USER MOD Single : A 33 SER OG : rot 20:sc= 1.22 USER MOD Single : A 37 GLN : amide:sc= -2.54! K(o=-2.5!,f=-1.3) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0986 K(o=-0.099,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.246 0.198 -0.275 1.00 14.44 N ATOM 2 CA LEU A 1 2.022 0.141 -1.508 1.00 42.43 C ATOM 3 C LEU A 1 2.697 -1.218 -1.665 1.00 12.42 C ATOM 4 O LEU A 1 3.070 -1.852 -0.679 1.00 25.22 O ATOM 5 CB LEU A 1 3.075 1.251 -1.523 1.00 21.00 C ATOM 6 CG LEU A 1 3.136 2.102 -2.792 1.00 62.52 C ATOM 7 CD1 LEU A 1 3.595 1.263 -3.975 1.00 73.12 C ATOM 8 CD2 LEU A 1 1.781 2.733 -3.077 1.00 21.21 C ATOM 0 H1 LEU A 1 0.796 1.132 -0.191 1.00 14.44 H new ATOM 0 H2 LEU A 1 0.512 -0.539 -0.292 1.00 14.44 H new ATOM 0 H3 LEU A 1 1.875 0.042 0.538 1.00 14.44 H new ATOM 0 HA LEU A 1 1.339 0.285 -2.345 1.00 42.43 H new ATOM 0 HB2 LEU A 1 2.890 1.911 -0.676 1.00 21.00 H new ATOM 0 HB3 LEU A 1 4.054 0.798 -1.366 1.00 21.00 H new ATOM 0 HG LEU A 1 3.861 2.901 -2.636 1.00 62.52 H new ATOM 0 HD11 LEU A 1 3.633 1.885 -4.869 1.00 73.12 H new ATOM 0 HD12 LEU A 1 4.587 0.859 -3.772 1.00 73.12 H new ATOM 0 HD13 LEU A 1 2.895 0.443 -4.133 1.00 73.12 H new ATOM 0 HD21 LEU A 1 1.843 3.335 -3.984 1.00 21.21 H new ATOM 0 HD22 LEU A 1 1.036 1.949 -3.212 1.00 21.21 H new ATOM 0 HD23 LEU A 1 1.492 3.368 -2.239 1.00 21.21 H new ATOM 20 N GLN A 2 2.851 -1.656 -2.910 1.00 32.11 N ATOM 21 CA GLN A 2 3.482 -2.939 -3.195 1.00 22.22 C ATOM 22 C GLN A 2 4.577 -2.786 -4.245 1.00 41.23 C ATOM 23 O GLN A 2 4.501 -1.917 -5.115 1.00 32.14 O ATOM 24 CB GLN A 2 2.438 -3.950 -3.673 1.00 24.22 C ATOM 25 CG GLN A 2 1.771 -4.716 -2.542 1.00 71.10 C ATOM 26 CD GLN A 2 1.645 -6.198 -2.835 1.00 64.14 C ATOM 27 OE1 GLN A 2 1.950 -7.038 -1.988 1.00 73.44 O ATOM 28 NE2 GLN A 2 1.195 -6.527 -4.040 1.00 71.25 N ATOM 0 H GLN A 2 2.548 -1.142 -3.737 1.00 32.11 H new ATOM 0 HA GLN A 2 3.936 -3.304 -2.274 1.00 22.22 H new ATOM 0 HB2 GLN A 2 1.673 -3.426 -4.247 1.00 24.22 H new ATOM 0 HB3 GLN A 2 2.914 -4.659 -4.350 1.00 24.22 H new ATOM 0 HG2 GLN A 2 2.346 -4.578 -1.626 1.00 71.10 H new ATOM 0 HG3 GLN A 2 0.780 -4.300 -2.361 1.00 71.10 H new ATOM 0 HE21 GLN A 2 0.954 -5.798 -4.711 1.00 71.25 H new ATOM 0 HE22 GLN A 2 1.090 -7.509 -4.295 1.00 71.25 H new ATOM 37 N CYS A 3 5.596 -3.635 -4.159 1.00 52.32 N ATOM 38 CA CYS A 3 6.708 -3.594 -5.101 1.00 53.23 C ATOM 39 C CYS A 3 7.045 -4.994 -5.606 1.00 12.10 C ATOM 40 O CYS A 3 6.892 -5.978 -4.884 1.00 60.32 O ATOM 41 CB CYS A 3 7.938 -2.967 -4.443 1.00 43.11 C ATOM 42 SG CYS A 3 7.569 -1.516 -3.406 1.00 13.32 S ATOM 0 H CYS A 3 5.674 -4.360 -3.446 1.00 52.32 H new ATOM 0 HA CYS A 3 6.408 -2.982 -5.952 1.00 53.23 H new ATOM 0 HB2 CYS A 3 8.433 -3.721 -3.831 1.00 43.11 H new ATOM 0 HB3 CYS A 3 8.643 -2.674 -5.221 1.00 43.11 H new ATOM 47 N ASN A 4 7.504 -5.073 -6.851 1.00 25.55 N ATOM 48 CA ASN A 4 7.863 -6.353 -7.452 1.00 42.54 C ATOM 49 C ASN A 4 9.195 -6.857 -6.905 1.00 32.13 C ATOM 50 O ASN A 4 9.934 -6.116 -6.256 1.00 53.50 O ATOM 51 CB ASN A 4 7.943 -6.219 -8.975 1.00 32.14 C ATOM 52 CG ASN A 4 6.600 -5.889 -9.597 1.00 0.51 C ATOM 53 OD1 ASN A 4 5.922 -6.762 -10.138 1.00 30.44 O ATOM 54 ND2 ASN A 4 6.210 -4.621 -9.523 1.00 71.34 N ATOM 0 H ASN A 4 7.636 -4.267 -7.463 1.00 25.55 H new ATOM 0 HA ASN A 4 7.089 -7.076 -7.196 1.00 42.54 H new ATOM 0 HB2 ASN A 4 8.661 -5.440 -9.231 1.00 32.14 H new ATOM 0 HB3 ASN A 4 8.318 -7.150 -9.400 1.00 32.14 H new ATOM 0 HD21 ASN A 4 5.316 -4.338 -9.924 1.00 71.34 H new ATOM 0 HD22 ASN A 4 6.805 -3.930 -9.065 1.00 71.34 H new ATOM 61 N THR A 5 9.496 -8.124 -7.171 1.00 31.44 N ATOM 62 CA THR A 5 10.737 -8.729 -6.705 1.00 24.04 C ATOM 63 C THR A 5 11.493 -9.387 -7.853 1.00 63.40 C ATOM 64 O THR A 5 10.904 -9.746 -8.873 1.00 54.34 O ATOM 65 CB THR A 5 10.474 -9.780 -5.609 1.00 42.52 C ATOM 66 OG1 THR A 5 9.857 -10.939 -6.180 1.00 51.42 O ATOM 67 CG2 THR A 5 9.582 -9.210 -4.516 1.00 61.05 C ATOM 0 H THR A 5 8.897 -8.751 -7.707 1.00 31.44 H new ATOM 0 HA THR A 5 11.343 -7.925 -6.288 1.00 24.04 H new ATOM 0 HB THR A 5 11.430 -10.059 -5.167 1.00 42.52 H new ATOM 0 HG1 THR A 5 9.134 -10.662 -6.780 1.00 51.42 H new ATOM 0 HG21 THR A 5 9.410 -9.970 -3.754 1.00 61.05 H new ATOM 0 HG22 THR A 5 10.068 -8.345 -4.064 1.00 61.05 H new ATOM 0 HG23 THR A 5 8.628 -8.906 -4.947 1.00 61.05 H new ATOM 75 N LEU A 6 12.801 -9.545 -7.681 1.00 1.10 N ATOM 76 CA LEU A 6 13.639 -10.162 -8.704 1.00 15.12 C ATOM 77 C LEU A 6 13.284 -11.635 -8.882 1.00 5.22 C ATOM 78 O LEU A 6 13.542 -12.223 -9.932 1.00 40.13 O ATOM 79 CB LEU A 6 15.116 -10.022 -8.334 1.00 2.12 C ATOM 80 CG LEU A 6 15.654 -11.036 -7.324 1.00 64.53 C ATOM 81 CD1 LEU A 6 17.167 -10.924 -7.209 1.00 14.00 C ATOM 82 CD2 LEU A 6 14.998 -10.837 -5.966 1.00 73.31 C ATOM 0 H LEU A 6 13.304 -9.254 -6.843 1.00 1.10 H new ATOM 0 HA LEU A 6 13.457 -9.647 -9.647 1.00 15.12 H new ATOM 0 HB2 LEU A 6 15.707 -10.099 -9.246 1.00 2.12 H new ATOM 0 HB3 LEU A 6 15.276 -9.021 -7.934 1.00 2.12 H new ATOM 0 HG LEU A 6 15.410 -12.037 -7.679 1.00 64.53 H new ATOM 0 HD11 LEU A 6 17.532 -11.653 -6.486 1.00 14.00 H new ATOM 0 HD12 LEU A 6 17.621 -11.118 -8.181 1.00 14.00 H new ATOM 0 HD13 LEU A 6 17.433 -9.920 -6.878 1.00 14.00 H new ATOM 0 HD21 LEU A 6 15.393 -11.568 -5.260 1.00 73.31 H new ATOM 0 HD22 LEU A 6 15.210 -9.831 -5.604 1.00 73.31 H new ATOM 0 HD23 LEU A 6 13.920 -10.970 -6.060 1.00 73.31 H new ATOM 94 N ASP A 7 12.691 -12.224 -7.850 1.00 22.13 N ATOM 95 CA ASP A 7 12.298 -13.628 -7.893 1.00 2.11 C ATOM 96 C ASP A 7 11.028 -13.811 -8.718 1.00 23.51 C ATOM 97 O ASP A 7 10.584 -14.935 -8.950 1.00 52.12 O ATOM 98 CB ASP A 7 12.083 -14.163 -6.476 1.00 70.24 C ATOM 99 CG ASP A 7 12.135 -15.677 -6.416 1.00 21.15 C ATOM 100 OD1 ASP A 7 12.649 -16.292 -7.373 1.00 51.43 O ATOM 101 OD2 ASP A 7 11.661 -16.247 -5.410 1.00 64.54 O ATOM 0 H ASP A 7 12.472 -11.751 -6.973 1.00 22.13 H new ATOM 0 HA ASP A 7 13.102 -14.191 -8.367 1.00 2.11 H new ATOM 0 HB2 ASP A 7 12.845 -13.750 -5.815 1.00 70.24 H new ATOM 0 HB3 ASP A 7 11.118 -13.820 -6.104 1.00 70.24 H new ATOM 106 N GLY A 8 10.448 -12.699 -9.157 1.00 52.24 N ATOM 107 CA GLY A 8 9.234 -12.759 -9.950 1.00 50.25 C ATOM 108 C GLY A 8 7.983 -12.604 -9.108 1.00 41.15 C ATOM 109 O GLY A 8 6.880 -12.480 -9.639 1.00 43.25 O ATOM 0 H GLY A 8 10.797 -11.757 -8.978 1.00 52.24 H new ATOM 0 HA2 GLY A 8 9.259 -11.974 -10.706 1.00 50.25 H new ATOM 0 HA3 GLY A 8 9.196 -13.711 -10.479 1.00 50.25 H new ATOM 113 N GLY A 9 8.154 -12.613 -7.790 1.00 1.42 N ATOM 114 CA GLY A 9 7.021 -12.473 -6.894 1.00 30.00 C ATOM 115 C GLY A 9 6.769 -11.032 -6.498 1.00 4.24 C ATOM 116 O GLY A 9 7.498 -10.129 -6.911 1.00 22.20 O ATOM 0 H GLY A 9 9.057 -12.715 -7.326 1.00 1.42 H new ATOM 0 HA2 GLY A 9 6.130 -12.875 -7.375 1.00 30.00 H new ATOM 0 HA3 GLY A 9 7.195 -13.068 -5.997 1.00 30.00 H new ATOM 120 N THR A 10 5.733 -10.813 -5.694 1.00 51.33 N ATOM 121 CA THR A 10 5.385 -9.471 -5.244 1.00 51.02 C ATOM 122 C THR A 10 5.641 -9.309 -3.750 1.00 54.52 C ATOM 123 O THR A 10 5.456 -10.246 -2.975 1.00 11.23 O ATOM 124 CB THR A 10 3.909 -9.145 -5.539 1.00 53.33 C ATOM 125 OG1 THR A 10 3.100 -10.309 -5.336 1.00 54.42 O ATOM 126 CG2 THR A 10 3.740 -8.646 -6.966 1.00 55.05 C ATOM 0 H THR A 10 5.120 -11.548 -5.341 1.00 51.33 H new ATOM 0 HA THR A 10 6.020 -8.778 -5.796 1.00 51.02 H new ATOM 0 HB THR A 10 3.590 -8.358 -4.856 1.00 53.33 H new ATOM 0 HG1 THR A 10 2.163 -10.093 -5.524 1.00 54.42 H new ATOM 0 HG21 THR A 10 2.689 -8.422 -7.151 1.00 55.05 H new ATOM 0 HG22 THR A 10 4.334 -7.743 -7.108 1.00 55.05 H new ATOM 0 HG23 THR A 10 4.075 -9.415 -7.662 1.00 55.05 H new ATOM 134 N GLU A 11 6.066 -8.113 -3.354 1.00 12.02 N ATOM 135 CA GLU A 11 6.347 -7.829 -1.951 1.00 74.33 C ATOM 136 C GLU A 11 5.617 -6.569 -1.494 1.00 72.43 C ATOM 137 O GLU A 11 5.419 -5.638 -2.273 1.00 44.34 O ATOM 138 CB GLU A 11 7.852 -7.668 -1.732 1.00 43.53 C ATOM 139 CG GLU A 11 8.456 -6.501 -2.495 1.00 44.51 C ATOM 140 CD GLU A 11 9.737 -5.991 -1.863 1.00 11.50 C ATOM 141 OE1 GLU A 11 10.391 -6.769 -1.138 1.00 34.25 O ATOM 142 OE2 GLU A 11 10.085 -4.814 -2.093 1.00 0.30 O ATOM 0 H GLU A 11 6.223 -7.326 -3.984 1.00 12.02 H new ATOM 0 HA GLU A 11 5.989 -8.670 -1.358 1.00 74.33 H new ATOM 0 HB2 GLU A 11 8.043 -7.533 -0.667 1.00 43.53 H new ATOM 0 HB3 GLU A 11 8.355 -8.587 -2.033 1.00 43.53 H new ATOM 0 HG2 GLU A 11 8.659 -6.809 -3.521 1.00 44.51 H new ATOM 0 HG3 GLU A 11 7.731 -5.689 -2.543 1.00 44.51 H new ATOM 149 N GLU A 12 5.219 -6.550 -0.226 1.00 74.31 N ATOM 150 CA GLU A 12 4.509 -5.406 0.334 1.00 5.10 C ATOM 151 C GLU A 12 5.490 -4.373 0.882 1.00 22.32 C ATOM 152 O GLU A 12 6.321 -4.682 1.737 1.00 12.24 O ATOM 153 CB GLU A 12 3.558 -5.860 1.443 1.00 74.35 C ATOM 154 CG GLU A 12 4.223 -6.727 2.499 1.00 52.14 C ATOM 155 CD GLU A 12 3.298 -7.048 3.657 1.00 61.23 C ATOM 156 OE1 GLU A 12 2.844 -6.101 4.333 1.00 61.32 O ATOM 157 OE2 GLU A 12 3.029 -8.245 3.887 1.00 32.50 O ATOM 0 H GLU A 12 5.376 -7.313 0.432 1.00 74.31 H new ATOM 0 HA GLU A 12 3.929 -4.944 -0.465 1.00 5.10 H new ATOM 0 HB2 GLU A 12 3.129 -4.981 1.924 1.00 74.35 H new ATOM 0 HB3 GLU A 12 2.732 -6.414 0.997 1.00 74.35 H new ATOM 0 HG2 GLU A 12 4.561 -7.656 2.041 1.00 52.14 H new ATOM 0 HG3 GLU A 12 5.109 -6.217 2.877 1.00 52.14 H new ATOM 164 N CYS A 13 5.388 -3.146 0.383 1.00 1.03 N ATOM 165 CA CYS A 13 6.265 -2.067 0.821 1.00 43.23 C ATOM 166 C CYS A 13 5.535 -1.125 1.774 1.00 42.23 C ATOM 167 O CYS A 13 4.618 -0.408 1.372 1.00 2.43 O ATOM 168 CB CYS A 13 6.787 -1.285 -0.386 1.00 45.13 C ATOM 169 SG CYS A 13 7.909 -2.237 -1.460 1.00 62.23 S ATOM 0 H CYS A 13 4.706 -2.874 -0.325 1.00 1.03 H new ATOM 0 HA CYS A 13 7.108 -2.510 1.351 1.00 43.23 H new ATOM 0 HB2 CYS A 13 5.938 -0.942 -0.978 1.00 45.13 H new ATOM 0 HB3 CYS A 13 7.308 -0.396 -0.032 1.00 45.13 H new ATOM 174 N ILE A 14 5.949 -1.132 3.036 1.00 32.44 N ATOM 175 CA ILE A 14 5.335 -0.278 4.046 1.00 65.13 C ATOM 176 C ILE A 14 5.850 1.154 3.940 1.00 31.55 C ATOM 177 O ILE A 14 7.018 1.399 3.637 1.00 14.23 O ATOM 178 CB ILE A 14 5.604 -0.805 5.468 1.00 50.02 C ATOM 179 CG1 ILE A 14 7.109 -0.869 5.736 1.00 61.44 C ATOM 180 CG2 ILE A 14 4.968 -2.175 5.654 1.00 3.40 C ATOM 181 CD1 ILE A 14 7.456 -1.381 7.116 1.00 12.44 C ATOM 0 H ILE A 14 6.707 -1.719 3.384 1.00 32.44 H new ATOM 0 HA ILE A 14 4.261 -0.291 3.861 1.00 65.13 H new ATOM 0 HB ILE A 14 5.156 -0.117 6.185 1.00 50.02 H new ATOM 0 HG12 ILE A 14 7.575 -1.513 4.991 1.00 61.44 H new ATOM 0 HG13 ILE A 14 7.535 0.126 5.609 1.00 61.44 H new ATOM 0 HG21 ILE A 14 5.167 -2.534 6.664 1.00 3.40 H new ATOM 0 HG22 ILE A 14 3.891 -2.100 5.501 1.00 3.40 H new ATOM 0 HG23 ILE A 14 5.390 -2.873 4.931 1.00 3.40 H new ATOM 0 HD11 ILE A 14 8.539 -1.399 7.235 1.00 12.44 H new ATOM 0 HD12 ILE A 14 7.019 -0.724 7.868 1.00 12.44 H new ATOM 0 HD13 ILE A 14 7.060 -2.389 7.240 1.00 12.44 H new ATOM 193 N PRO A 15 4.959 2.123 4.198 1.00 23.35 N ATOM 194 CA PRO A 15 5.301 3.547 4.142 1.00 52.24 C ATOM 195 C PRO A 15 6.232 3.966 5.275 1.00 74.25 C ATOM 196 O PRO A 15 6.758 5.078 5.280 1.00 74.11 O ATOM 197 CB PRO A 15 3.944 4.243 4.279 1.00 23.12 C ATOM 198 CG PRO A 15 3.089 3.264 5.007 1.00 53.13 C ATOM 199 CD PRO A 15 3.551 1.903 4.566 1.00 35.41 C ATOM 0 HA PRO A 15 5.836 3.802 3.227 1.00 52.24 H new ATOM 0 HB2 PRO A 15 4.033 5.179 4.831 1.00 23.12 H new ATOM 0 HB3 PRO A 15 3.524 4.487 3.303 1.00 23.12 H new ATOM 0 HG2 PRO A 15 3.193 3.381 6.086 1.00 53.13 H new ATOM 0 HG3 PRO A 15 2.036 3.414 4.771 1.00 53.13 H new ATOM 0 HD2 PRO A 15 3.455 1.168 5.365 1.00 35.41 H new ATOM 0 HD3 PRO A 15 2.968 1.535 3.722 1.00 35.41 H new ATOM 207 N GLY A 16 6.431 3.067 6.234 1.00 60.34 N ATOM 208 CA GLY A 16 7.299 3.362 7.358 1.00 1.04 C ATOM 209 C GLY A 16 8.768 3.249 7.002 1.00 2.24 C ATOM 210 O GLY A 16 9.628 3.766 7.716 1.00 0.41 O ATOM 0 H GLY A 16 6.006 2.140 6.252 1.00 60.34 H new ATOM 0 HA2 GLY A 16 7.092 4.370 7.718 1.00 1.04 H new ATOM 0 HA3 GLY A 16 7.073 2.679 8.177 1.00 1.04 H new ATOM 214 N ILE A 17 9.057 2.570 5.897 1.00 10.33 N ATOM 215 CA ILE A 17 10.432 2.391 5.449 1.00 43.00 C ATOM 216 C ILE A 17 10.524 2.434 3.927 1.00 25.45 C ATOM 217 O ILE A 17 11.075 3.374 3.355 1.00 41.15 O ATOM 218 CB ILE A 17 11.019 1.058 5.951 1.00 53.15 C ATOM 219 CG1 ILE A 17 10.773 0.901 7.453 1.00 61.15 C ATOM 220 CG2 ILE A 17 12.506 0.984 5.641 1.00 44.10 C ATOM 221 CD1 ILE A 17 11.313 -0.393 8.021 1.00 74.02 C ATOM 0 H ILE A 17 8.357 2.135 5.296 1.00 10.33 H new ATOM 0 HA ILE A 17 11.011 3.214 5.869 1.00 43.00 H new ATOM 0 HB ILE A 17 10.519 0.240 5.433 1.00 53.15 H new ATOM 0 HG12 ILE A 17 11.232 1.739 7.978 1.00 61.15 H new ATOM 0 HG13 ILE A 17 9.701 0.954 7.645 1.00 61.15 H new ATOM 0 HG21 ILE A 17 12.906 0.036 6.002 1.00 44.10 H new ATOM 0 HG22 ILE A 17 12.657 1.055 4.564 1.00 44.10 H new ATOM 0 HG23 ILE A 17 13.022 1.807 6.135 1.00 44.10 H new ATOM 0 HD11 ILE A 17 11.103 -0.437 9.090 1.00 74.02 H new ATOM 0 HD12 ILE A 17 10.835 -1.236 7.523 1.00 74.02 H new ATOM 0 HD13 ILE A 17 12.390 -0.439 7.861 1.00 74.02 H new ATOM 233 N TYR A 18 9.981 1.410 3.279 1.00 55.13 N ATOM 234 CA TYR A 18 10.002 1.330 1.823 1.00 74.30 C ATOM 235 C TYR A 18 8.978 2.281 1.210 1.00 63.20 C ATOM 236 O TYR A 18 7.776 2.021 1.241 1.00 23.21 O ATOM 237 CB TYR A 18 9.721 -0.103 1.366 1.00 13.22 C ATOM 238 CG TYR A 18 10.512 -1.146 2.122 1.00 5.33 C ATOM 239 CD1 TYR A 18 11.857 -0.950 2.413 1.00 31.11 C ATOM 240 CD2 TYR A 18 9.915 -2.326 2.547 1.00 65.53 C ATOM 241 CE1 TYR A 18 12.584 -1.901 3.103 1.00 41.31 C ATOM 242 CE2 TYR A 18 10.635 -3.282 3.238 1.00 14.04 C ATOM 243 CZ TYR A 18 11.969 -3.065 3.514 1.00 54.34 C ATOM 244 OH TYR A 18 12.689 -4.013 4.202 1.00 22.43 O ATOM 0 H TYR A 18 9.521 0.624 3.738 1.00 55.13 H new ATOM 0 HA TYR A 18 10.995 1.625 1.483 1.00 74.30 H new ATOM 0 HB2 TYR A 18 8.657 -0.311 1.483 1.00 13.22 H new ATOM 0 HB3 TYR A 18 9.947 -0.187 0.303 1.00 13.22 H new ATOM 0 HD1 TYR A 18 12.342 -0.039 2.094 1.00 31.11 H new ATOM 0 HD2 TYR A 18 8.871 -2.499 2.334 1.00 65.53 H new ATOM 0 HE1 TYR A 18 13.629 -1.734 3.319 1.00 41.31 H new ATOM 0 HE2 TYR A 18 10.156 -4.195 3.560 1.00 14.04 H new ATOM 0 HH TYR A 18 12.108 -4.772 4.419 1.00 22.43 H new ATOM 254 N ASN A 19 9.466 3.384 0.652 1.00 13.42 N ATOM 255 CA ASN A 19 8.595 4.376 0.031 1.00 33.31 C ATOM 256 C ASN A 19 8.932 4.546 -1.447 1.00 74.21 C ATOM 257 O ASN A 19 8.189 5.182 -2.195 1.00 74.52 O ATOM 258 CB ASN A 19 8.721 5.719 0.752 1.00 13.14 C ATOM 259 CG ASN A 19 10.108 5.941 1.323 1.00 0.02 C ATOM 260 OD1 ASN A 19 10.263 6.249 2.505 1.00 21.41 O ATOM 261 ND2 ASN A 19 11.125 5.786 0.483 1.00 31.24 N ATOM 0 H ASN A 19 10.459 3.614 0.617 1.00 13.42 H new ATOM 0 HA ASN A 19 7.567 4.023 0.113 1.00 33.31 H new ATOM 0 HB2 ASN A 19 8.484 6.525 0.057 1.00 13.14 H new ATOM 0 HB3 ASN A 19 7.988 5.766 1.557 1.00 13.14 H new ATOM 0 HD21 ASN A 19 12.082 5.923 0.810 1.00 31.24 H new ATOM 0 HD22 ASN A 19 10.949 5.530 -0.489 1.00 31.24 H new ATOM 268 N VAL A 20 10.057 3.973 -1.862 1.00 30.32 N ATOM 269 CA VAL A 20 10.492 4.059 -3.251 1.00 21.13 C ATOM 270 C VAL A 20 10.508 2.683 -3.908 1.00 5.41 C ATOM 271 O VAL A 20 10.298 1.665 -3.248 1.00 54.31 O ATOM 272 CB VAL A 20 11.895 4.685 -3.361 1.00 51.44 C ATOM 273 CG1 VAL A 20 11.869 6.137 -2.909 1.00 14.41 C ATOM 274 CG2 VAL A 20 12.902 3.884 -2.550 1.00 75.43 C ATOM 0 H VAL A 20 10.684 3.444 -1.256 1.00 30.32 H new ATOM 0 HA VAL A 20 9.776 4.697 -3.769 1.00 21.13 H new ATOM 0 HB VAL A 20 12.203 4.660 -4.406 1.00 51.44 H new ATOM 0 HG11 VAL A 20 12.869 6.562 -2.994 1.00 14.41 H new ATOM 0 HG12 VAL A 20 11.180 6.701 -3.537 1.00 14.41 H new ATOM 0 HG13 VAL A 20 11.539 6.189 -1.871 1.00 14.41 H new ATOM 0 HG21 VAL A 20 13.887 4.341 -2.640 1.00 75.43 H new ATOM 0 HG22 VAL A 20 12.600 3.874 -1.503 1.00 75.43 H new ATOM 0 HG23 VAL A 20 12.941 2.862 -2.926 1.00 75.43 H new ATOM 284 N CYS A 21 10.761 2.660 -5.212 1.00 52.03 N ATOM 285 CA CYS A 21 10.805 1.410 -5.961 1.00 22.22 C ATOM 286 C CYS A 21 11.662 1.557 -7.215 1.00 22.31 C ATOM 287 O CYS A 21 11.647 2.597 -7.872 1.00 54.52 O ATOM 288 CB CYS A 21 9.391 0.970 -6.345 1.00 11.42 C ATOM 289 SG CYS A 21 8.359 2.305 -7.033 1.00 32.35 S ATOM 0 H CYS A 21 10.939 3.494 -5.772 1.00 52.03 H new ATOM 0 HA CYS A 21 11.254 0.649 -5.322 1.00 22.22 H new ATOM 0 HB2 CYS A 21 9.458 0.164 -7.076 1.00 11.42 H new ATOM 0 HB3 CYS A 21 8.897 0.561 -5.464 1.00 11.42 H new ATOM 294 N VAL A 22 12.409 0.507 -7.541 1.00 23.32 N ATOM 295 CA VAL A 22 13.272 0.517 -8.716 1.00 52.43 C ATOM 296 C VAL A 22 13.142 -0.781 -9.505 1.00 54.43 C ATOM 297 O VAL A 22 13.072 -1.866 -8.928 1.00 74.23 O ATOM 298 CB VAL A 22 14.748 0.723 -8.328 1.00 11.15 C ATOM 299 CG1 VAL A 22 15.666 0.161 -9.402 1.00 5.51 C ATOM 300 CG2 VAL A 22 15.034 2.198 -8.087 1.00 25.41 C ATOM 0 H VAL A 22 12.434 -0.362 -7.007 1.00 23.32 H new ATOM 0 HA VAL A 22 12.948 1.351 -9.338 1.00 52.43 H new ATOM 0 HB VAL A 22 14.941 0.183 -7.401 1.00 11.15 H new ATOM 0 HG11 VAL A 22 16.705 0.316 -9.110 1.00 5.51 H new ATOM 0 HG12 VAL A 22 15.477 -0.906 -9.520 1.00 5.51 H new ATOM 0 HG13 VAL A 22 15.475 0.670 -10.347 1.00 5.51 H new ATOM 0 HG21 VAL A 22 16.081 2.326 -7.814 1.00 25.41 H new ATOM 0 HG22 VAL A 22 14.825 2.762 -8.996 1.00 25.41 H new ATOM 0 HG23 VAL A 22 14.401 2.564 -7.279 1.00 25.41 H new ATOM 310 N HIS A 23 13.110 -0.662 -10.829 1.00 1.41 N ATOM 311 CA HIS A 23 12.989 -1.826 -11.699 1.00 24.35 C ATOM 312 C HIS A 23 14.146 -1.884 -12.692 1.00 75.34 C ATOM 313 O HIS A 23 14.278 -1.018 -13.557 1.00 0.31 O ATOM 314 CB HIS A 23 11.658 -1.793 -12.449 1.00 34.11 C ATOM 315 CG HIS A 23 11.550 -2.830 -13.524 1.00 33.52 C ATOM 316 ND1 HIS A 23 10.743 -2.685 -14.632 1.00 54.52 N ATOM 317 CD2 HIS A 23 12.154 -4.034 -13.656 1.00 64.14 C ATOM 318 CE1 HIS A 23 10.854 -3.754 -15.399 1.00 61.32 C ATOM 319 NE2 HIS A 23 11.705 -4.588 -14.830 1.00 24.43 N ATOM 0 H HIS A 23 13.166 0.229 -11.322 1.00 1.41 H new ATOM 0 HA HIS A 23 13.023 -2.720 -11.076 1.00 24.35 H new ATOM 0 HB2 HIS A 23 10.845 -1.934 -11.736 1.00 34.11 H new ATOM 0 HB3 HIS A 23 11.525 -0.806 -12.893 1.00 34.11 H new ATOM 0 HD1 HIS A 23 10.152 -1.877 -14.829 1.00 54.52 H new ATOM 0 HD2 HIS A 23 12.858 -4.477 -12.967 1.00 64.14 H new ATOM 0 HE1 HIS A 23 10.337 -3.918 -16.333 1.00 61.32 H new ATOM 327 N TYR A 24 14.980 -2.910 -12.563 1.00 13.12 N ATOM 328 CA TYR A 24 16.126 -3.079 -13.447 1.00 44.03 C ATOM 329 C TYR A 24 15.857 -4.161 -14.488 1.00 74.32 C ATOM 330 O TYR A 24 15.687 -5.334 -14.153 1.00 41.22 O ATOM 331 CB TYR A 24 17.374 -3.435 -12.637 1.00 40.30 C ATOM 332 CG TYR A 24 18.650 -3.409 -13.448 1.00 21.43 C ATOM 333 CD1 TYR A 24 18.926 -4.405 -14.377 1.00 41.50 C ATOM 334 CD2 TYR A 24 19.579 -2.389 -13.285 1.00 24.23 C ATOM 335 CE1 TYR A 24 20.091 -4.386 -15.119 1.00 41.41 C ATOM 336 CE2 TYR A 24 20.746 -2.361 -14.024 1.00 24.44 C ATOM 337 CZ TYR A 24 20.998 -3.362 -14.939 1.00 51.10 C ATOM 338 OH TYR A 24 22.159 -3.339 -15.677 1.00 51.34 O ATOM 0 H TYR A 24 14.883 -3.637 -11.854 1.00 13.12 H new ATOM 0 HA TYR A 24 16.294 -2.135 -13.965 1.00 44.03 H new ATOM 0 HB2 TYR A 24 17.468 -2.737 -11.805 1.00 40.30 H new ATOM 0 HB3 TYR A 24 17.247 -4.429 -12.207 1.00 40.30 H new ATOM 0 HD1 TYR A 24 18.218 -5.207 -14.521 1.00 41.50 H new ATOM 0 HD2 TYR A 24 19.386 -1.605 -12.568 1.00 24.23 H new ATOM 0 HE1 TYR A 24 20.291 -5.168 -15.836 1.00 41.41 H new ATOM 0 HE2 TYR A 24 21.457 -1.560 -13.886 1.00 24.44 H new ATOM 0 HH TYR A 24 22.688 -2.552 -15.431 1.00 51.34 H new ATOM 348 N LYS A 25 15.819 -3.759 -15.754 1.00 72.10 N ATOM 349 CA LYS A 25 15.572 -4.692 -16.847 1.00 31.32 C ATOM 350 C LYS A 25 16.657 -4.582 -17.913 1.00 5.54 C ATOM 351 O LYS A 25 16.799 -3.546 -18.563 1.00 10.24 O ATOM 352 CB LYS A 25 14.200 -4.427 -17.471 1.00 42.13 C ATOM 353 CG LYS A 25 13.905 -5.296 -18.682 1.00 15.15 C ATOM 354 CD LYS A 25 12.598 -4.899 -19.347 1.00 53.43 C ATOM 355 CE LYS A 25 12.375 -5.667 -20.641 1.00 45.53 C ATOM 356 NZ LYS A 25 11.956 -7.073 -20.387 1.00 2.43 N ATOM 0 H LYS A 25 15.956 -2.792 -16.049 1.00 72.10 H new ATOM 0 HA LYS A 25 15.590 -5.703 -16.439 1.00 31.32 H new ATOM 0 HB2 LYS A 25 13.429 -4.593 -16.718 1.00 42.13 H new ATOM 0 HB3 LYS A 25 14.139 -3.379 -17.763 1.00 42.13 H new ATOM 0 HG2 LYS A 25 14.721 -5.210 -19.400 1.00 15.15 H new ATOM 0 HG3 LYS A 25 13.857 -6.342 -18.378 1.00 15.15 H new ATOM 0 HD2 LYS A 25 11.769 -5.086 -18.664 1.00 53.43 H new ATOM 0 HD3 LYS A 25 12.604 -3.829 -19.554 1.00 53.43 H new ATOM 0 HE2 LYS A 25 11.613 -5.163 -21.236 1.00 45.53 H new ATOM 0 HE3 LYS A 25 13.293 -5.662 -21.229 1.00 45.53 H new ATOM 0 HZ1 LYS A 25 11.814 -7.562 -21.294 1.00 2.43 H new ATOM 0 HZ2 LYS A 25 12.694 -7.562 -19.841 1.00 2.43 H new ATOM 0 HZ3 LYS A 25 11.066 -7.078 -19.848 1.00 2.43 H new ATOM 370 N SER A 26 17.421 -5.656 -18.087 1.00 54.34 N ATOM 371 CA SER A 26 18.495 -5.678 -19.073 1.00 40.21 C ATOM 372 C SER A 26 18.453 -6.963 -19.894 1.00 32.21 C ATOM 373 O SER A 26 17.847 -7.953 -19.485 1.00 52.01 O ATOM 374 CB SER A 26 19.853 -5.545 -18.381 1.00 62.34 C ATOM 375 OG SER A 26 20.106 -4.202 -18.007 1.00 61.13 O ATOM 0 H SER A 26 17.316 -6.522 -17.558 1.00 54.34 H new ATOM 0 HA SER A 26 18.354 -4.833 -19.747 1.00 40.21 H new ATOM 0 HB2 SER A 26 19.878 -6.183 -17.497 1.00 62.34 H new ATOM 0 HB3 SER A 26 20.641 -5.894 -19.049 1.00 62.34 H new ATOM 0 HG SER A 26 19.830 -4.064 -17.077 1.00 61.13 H new ATOM 381 N GLU A 27 19.101 -6.939 -21.054 1.00 44.31 N ATOM 382 CA GLU A 27 19.137 -8.102 -21.933 1.00 43.41 C ATOM 383 C GLU A 27 20.093 -9.162 -21.394 1.00 34.25 C ATOM 384 O GLU A 27 20.070 -10.313 -21.830 1.00 31.10 O ATOM 385 CB GLU A 27 19.560 -7.689 -23.344 1.00 44.05 C ATOM 386 CG GLU A 27 21.021 -7.284 -23.448 1.00 1.10 C ATOM 387 CD GLU A 27 21.401 -6.822 -24.841 1.00 41.24 C ATOM 388 OE1 GLU A 27 21.234 -5.619 -25.133 1.00 12.10 O ATOM 389 OE2 GLU A 27 21.865 -7.662 -25.640 1.00 21.11 O ATOM 0 H GLU A 27 19.608 -6.127 -21.407 1.00 44.31 H new ATOM 0 HA GLU A 27 18.134 -8.528 -21.971 1.00 43.41 H new ATOM 0 HB2 GLU A 27 19.372 -8.517 -24.027 1.00 44.05 H new ATOM 0 HB3 GLU A 27 18.937 -6.857 -23.672 1.00 44.05 H new ATOM 0 HG2 GLU A 27 21.224 -6.484 -22.736 1.00 1.10 H new ATOM 0 HG3 GLU A 27 21.649 -8.129 -23.166 1.00 1.10 H new ATOM 396 N ASP A 28 20.931 -8.766 -20.443 1.00 3.43 N ATOM 397 CA ASP A 28 21.895 -9.681 -19.842 1.00 52.04 C ATOM 398 C ASP A 28 21.426 -10.135 -18.464 1.00 24.54 C ATOM 399 O ASP A 28 21.811 -11.204 -17.989 1.00 14.54 O ATOM 400 CB ASP A 28 23.266 -9.013 -19.734 1.00 43.22 C ATOM 401 CG ASP A 28 24.404 -9.983 -19.982 1.00 23.31 C ATOM 402 OD1 ASP A 28 24.719 -10.774 -19.068 1.00 0.41 O ATOM 403 OD2 ASP A 28 24.981 -9.952 -21.089 1.00 71.15 O ATOM 0 H ASP A 28 20.963 -7.817 -20.071 1.00 3.43 H new ATOM 0 HA ASP A 28 21.977 -10.557 -20.485 1.00 52.04 H new ATOM 0 HB2 ASP A 28 23.326 -8.196 -20.453 1.00 43.22 H new ATOM 0 HB3 ASP A 28 23.376 -8.574 -18.742 1.00 43.22 H new ATOM 408 N GLU A 29 20.595 -9.316 -17.827 1.00 24.34 N ATOM 409 CA GLU A 29 20.077 -9.634 -16.501 1.00 71.24 C ATOM 410 C GLU A 29 18.812 -8.834 -16.206 1.00 12.33 C ATOM 411 O GLU A 29 18.498 -7.870 -16.904 1.00 20.23 O ATOM 412 CB GLU A 29 21.135 -9.349 -15.433 1.00 60.45 C ATOM 413 CG GLU A 29 21.339 -7.869 -15.158 1.00 72.11 C ATOM 414 CD GLU A 29 22.652 -7.582 -14.457 1.00 2.42 C ATOM 415 OE1 GLU A 29 22.918 -8.214 -13.413 1.00 72.54 O ATOM 416 OE2 GLU A 29 23.414 -6.724 -14.951 1.00 31.33 O ATOM 0 H GLU A 29 20.266 -8.428 -18.207 1.00 24.34 H new ATOM 0 HA GLU A 29 19.829 -10.695 -16.481 1.00 71.24 H new ATOM 0 HB2 GLU A 29 20.847 -9.846 -14.507 1.00 60.45 H new ATOM 0 HB3 GLU A 29 22.083 -9.786 -15.747 1.00 60.45 H new ATOM 0 HG2 GLU A 29 21.306 -7.320 -16.099 1.00 72.11 H new ATOM 0 HG3 GLU A 29 20.516 -7.500 -14.546 1.00 72.11 H new ATOM 423 N GLU A 30 18.090 -9.241 -15.166 1.00 71.34 N ATOM 424 CA GLU A 30 16.858 -8.563 -14.779 1.00 65.05 C ATOM 425 C GLU A 30 16.546 -8.802 -13.305 1.00 50.10 C ATOM 426 O GLU A 30 16.451 -9.945 -12.857 1.00 4.45 O ATOM 427 CB GLU A 30 15.691 -9.045 -15.644 1.00 4.40 C ATOM 428 CG GLU A 30 14.360 -8.410 -15.278 1.00 3.11 C ATOM 429 CD GLU A 30 13.196 -9.016 -16.038 1.00 24.25 C ATOM 430 OE1 GLU A 30 13.424 -9.551 -17.143 1.00 43.41 O ATOM 431 OE2 GLU A 30 12.058 -8.956 -15.527 1.00 64.13 O ATOM 0 H GLU A 30 18.337 -10.036 -14.577 1.00 71.34 H new ATOM 0 HA GLU A 30 16.998 -7.493 -14.934 1.00 65.05 H new ATOM 0 HB2 GLU A 30 15.911 -8.830 -16.690 1.00 4.40 H new ATOM 0 HB3 GLU A 30 15.605 -10.128 -15.553 1.00 4.40 H new ATOM 0 HG2 GLU A 30 14.189 -8.524 -14.208 1.00 3.11 H new ATOM 0 HG3 GLU A 30 14.404 -7.340 -15.481 1.00 3.11 H new ATOM 438 N TYR A 31 16.387 -7.716 -12.557 1.00 5.13 N ATOM 439 CA TYR A 31 16.089 -7.806 -11.132 1.00 72.14 C ATOM 440 C TYR A 31 15.401 -6.537 -10.639 1.00 2.14 C ATOM 441 O TYR A 31 15.442 -5.497 -11.297 1.00 24.32 O ATOM 442 CB TYR A 31 17.372 -8.048 -10.335 1.00 53.42 C ATOM 443 CG TYR A 31 18.363 -6.910 -10.424 1.00 42.51 C ATOM 444 CD1 TYR A 31 18.199 -5.759 -9.663 1.00 41.51 C ATOM 445 CD2 TYR A 31 19.463 -6.985 -11.269 1.00 41.55 C ATOM 446 CE1 TYR A 31 19.102 -4.716 -9.741 1.00 50.24 C ATOM 447 CE2 TYR A 31 20.372 -5.947 -11.353 1.00 72.41 C ATOM 448 CZ TYR A 31 20.187 -4.815 -10.587 1.00 72.24 C ATOM 449 OH TYR A 31 21.089 -3.779 -10.669 1.00 31.30 O ATOM 0 H TYR A 31 16.459 -6.763 -12.913 1.00 5.13 H new ATOM 0 HA TYR A 31 15.412 -8.647 -10.980 1.00 72.14 H new ATOM 0 HB2 TYR A 31 17.114 -8.213 -9.289 1.00 53.42 H new ATOM 0 HB3 TYR A 31 17.847 -8.961 -10.695 1.00 53.42 H new ATOM 0 HD1 TYR A 31 17.351 -5.678 -8.999 1.00 41.51 H new ATOM 0 HD2 TYR A 31 19.611 -7.870 -11.871 1.00 41.55 H new ATOM 0 HE1 TYR A 31 18.959 -3.828 -9.143 1.00 50.24 H new ATOM 0 HE2 TYR A 31 21.222 -6.022 -12.015 1.00 72.41 H new ATOM 0 HH TYR A 31 20.854 -3.199 -11.423 1.00 31.30 H new ATOM 459 N LYS A 32 14.769 -6.630 -9.474 1.00 11.44 N ATOM 460 CA LYS A 32 14.073 -5.490 -8.887 1.00 71.35 C ATOM 461 C LYS A 32 14.310 -5.423 -7.382 1.00 65.23 C ATOM 462 O LYS A 32 14.209 -6.431 -6.683 1.00 22.02 O ATOM 463 CB LYS A 32 12.572 -5.581 -9.174 1.00 44.42 C ATOM 464 CG LYS A 32 12.239 -5.641 -10.655 1.00 35.33 C ATOM 465 CD LYS A 32 10.851 -6.213 -10.890 1.00 73.44 C ATOM 466 CE LYS A 32 10.851 -7.229 -12.023 1.00 5.13 C ATOM 467 NZ LYS A 32 10.236 -6.678 -13.262 1.00 21.30 N ATOM 0 H LYS A 32 14.724 -7.483 -8.917 1.00 11.44 H new ATOM 0 HA LYS A 32 14.470 -4.581 -9.340 1.00 71.35 H new ATOM 0 HB2 LYS A 32 12.170 -6.467 -8.683 1.00 44.42 H new ATOM 0 HB3 LYS A 32 12.073 -4.718 -8.733 1.00 44.42 H new ATOM 0 HG2 LYS A 32 12.299 -4.641 -11.083 1.00 35.33 H new ATOM 0 HG3 LYS A 32 12.978 -6.253 -11.171 1.00 35.33 H new ATOM 0 HD2 LYS A 32 10.492 -6.686 -9.976 1.00 73.44 H new ATOM 0 HD3 LYS A 32 10.158 -5.405 -11.125 1.00 73.44 H new ATOM 0 HE2 LYS A 32 11.875 -7.539 -12.233 1.00 5.13 H new ATOM 0 HE3 LYS A 32 10.305 -8.120 -11.712 1.00 5.13 H new ATOM 0 HZ1 LYS A 32 9.794 -7.449 -13.803 1.00 21.30 H new ATOM 0 HZ2 LYS A 32 9.513 -5.975 -13.008 1.00 21.30 H new ATOM 0 HZ3 LYS A 32 10.971 -6.225 -13.842 1.00 21.30 H new ATOM 481 N SER A 33 14.625 -4.229 -6.890 1.00 64.30 N ATOM 482 CA SER A 33 14.879 -4.032 -5.468 1.00 5.32 C ATOM 483 C SER A 33 14.913 -2.546 -5.123 1.00 52.23 C ATOM 484 O SER A 33 15.343 -1.719 -5.928 1.00 70.23 O ATOM 485 CB SER A 33 16.202 -4.689 -5.068 1.00 73.31 C ATOM 486 OG SER A 33 16.026 -6.071 -4.806 1.00 54.24 O ATOM 0 H SER A 33 14.710 -3.384 -7.455 1.00 64.30 H new ATOM 0 HA SER A 33 14.066 -4.499 -4.912 1.00 5.32 H new ATOM 0 HB2 SER A 33 16.933 -4.557 -5.866 1.00 73.31 H new ATOM 0 HB3 SER A 33 16.604 -4.196 -4.183 1.00 73.31 H new ATOM 0 HG SER A 33 15.196 -6.380 -5.226 1.00 54.24 H new ATOM 492 N CYS A 34 14.456 -2.213 -3.921 1.00 35.32 N ATOM 493 CA CYS A 34 14.431 -0.828 -3.467 1.00 44.03 C ATOM 494 C CYS A 34 13.850 -0.726 -2.060 1.00 72.22 C ATOM 495 O CYS A 34 13.663 -1.734 -1.380 1.00 23.02 O ATOM 496 CB CYS A 34 13.614 0.032 -4.433 1.00 14.44 C ATOM 497 SG CYS A 34 14.382 1.635 -4.833 1.00 75.15 S ATOM 0 H CYS A 34 14.097 -2.885 -3.243 1.00 35.32 H new ATOM 0 HA CYS A 34 15.457 -0.461 -3.443 1.00 44.03 H new ATOM 0 HB2 CYS A 34 13.459 -0.525 -5.357 1.00 14.44 H new ATOM 0 HB3 CYS A 34 12.630 0.211 -4.000 1.00 14.44 H new ATOM 0 HG CYS A 34 15.600 1.658 -4.379 1.00 75.15 H new ATOM 502 N GLY A 35 13.565 0.499 -1.631 1.00 11.54 N ATOM 503 CA GLY A 35 13.007 0.711 -0.308 1.00 24.14 C ATOM 504 C GLY A 35 13.072 2.163 0.124 1.00 70.34 C ATOM 505 O GLY A 35 12.085 2.892 0.020 1.00 44.34 O ATOM 0 H GLY A 35 13.710 1.349 -2.176 1.00 11.54 H new ATOM 0 HA2 GLY A 35 11.969 0.378 -0.297 1.00 24.14 H new ATOM 0 HA3 GLY A 35 13.546 0.096 0.413 1.00 24.14 H new ATOM 509 N ILE A 36 14.235 2.583 0.610 1.00 31.41 N ATOM 510 CA ILE A 36 14.423 3.956 1.059 1.00 43.50 C ATOM 511 C ILE A 36 15.152 4.784 0.006 1.00 64.23 C ATOM 512 O ILE A 36 16.188 4.370 -0.515 1.00 34.41 O ATOM 513 CB ILE A 36 15.215 4.014 2.379 1.00 73.10 C ATOM 514 CG1 ILE A 36 16.453 3.119 2.296 1.00 71.10 C ATOM 515 CG2 ILE A 36 14.331 3.598 3.545 1.00 34.40 C ATOM 516 CD1 ILE A 36 17.353 3.219 3.508 1.00 72.43 C ATOM 0 H ILE A 36 15.061 1.992 0.703 1.00 31.41 H new ATOM 0 HA ILE A 36 13.429 4.373 1.222 1.00 43.50 H new ATOM 0 HB ILE A 36 15.543 5.040 2.545 1.00 73.10 H new ATOM 0 HG12 ILE A 36 16.135 2.084 2.174 1.00 71.10 H new ATOM 0 HG13 ILE A 36 17.024 3.384 1.406 1.00 71.10 H new ATOM 0 HG21 ILE A 36 14.904 3.644 4.471 1.00 34.40 H new ATOM 0 HG22 ILE A 36 13.477 4.272 3.613 1.00 34.40 H new ATOM 0 HG23 ILE A 36 13.977 2.579 3.388 1.00 34.40 H new ATOM 0 HD11 ILE A 36 18.210 2.558 3.380 1.00 72.43 H new ATOM 0 HD12 ILE A 36 17.700 4.246 3.619 1.00 72.43 H new ATOM 0 HD13 ILE A 36 16.798 2.925 4.399 1.00 72.43 H new ATOM 528 N GLN A 37 14.605 5.956 -0.301 1.00 63.42 N ATOM 529 CA GLN A 37 15.205 6.842 -1.292 1.00 31.12 C ATOM 530 C GLN A 37 16.690 7.048 -1.010 1.00 74.33 C ATOM 531 O GLN A 37 17.484 7.239 -1.930 1.00 41.12 O ATOM 532 CB GLN A 37 14.484 8.191 -1.303 1.00 20.03 C ATOM 533 CG GLN A 37 14.988 9.142 -2.376 1.00 64.44 C ATOM 534 CD GLN A 37 14.019 9.282 -3.534 1.00 24.41 C ATOM 535 OE1 GLN A 37 13.535 10.376 -3.824 1.00 62.24 O ATOM 536 NE2 GLN A 37 13.731 8.171 -4.203 1.00 2.14 N ATOM 0 H GLN A 37 13.748 6.314 0.122 1.00 63.42 H new ATOM 0 HA GLN A 37 15.101 6.374 -2.271 1.00 31.12 H new ATOM 0 HB2 GLN A 37 13.417 8.022 -1.451 1.00 20.03 H new ATOM 0 HB3 GLN A 37 14.600 8.663 -0.327 1.00 20.03 H new ATOM 0 HG2 GLN A 37 15.164 10.123 -1.934 1.00 64.44 H new ATOM 0 HG3 GLN A 37 15.947 8.785 -2.751 1.00 64.44 H new ATOM 0 HE21 GLN A 37 14.156 7.285 -3.928 1.00 2.14 H new ATOM 0 HE22 GLN A 37 13.085 8.204 -4.992 1.00 2.14 H new ATOM 545 N GLU A 38 17.056 7.007 0.267 1.00 41.10 N ATOM 546 CA GLU A 38 18.446 7.191 0.668 1.00 32.55 C ATOM 547 C GLU A 38 19.339 6.124 0.041 1.00 33.10 C ATOM 548 O GLU A 38 20.460 6.408 -0.379 1.00 73.24 O ATOM 549 CB GLU A 38 18.570 7.143 2.193 1.00 40.12 C ATOM 550 CG GLU A 38 19.790 7.875 2.727 1.00 14.21 C ATOM 551 CD GLU A 38 19.921 7.767 4.234 1.00 50.31 C ATOM 552 OE1 GLU A 38 19.004 7.208 4.872 1.00 43.55 O ATOM 553 OE2 GLU A 38 20.942 8.242 4.775 1.00 34.13 O ATOM 0 H GLU A 38 16.411 6.848 1.041 1.00 41.10 H new ATOM 0 HA GLU A 38 18.773 8.168 0.314 1.00 32.55 H new ATOM 0 HB2 GLU A 38 17.674 7.577 2.636 1.00 40.12 H new ATOM 0 HB3 GLU A 38 18.612 6.102 2.513 1.00 40.12 H new ATOM 0 HG2 GLU A 38 20.687 7.470 2.258 1.00 14.21 H new ATOM 0 HG3 GLU A 38 19.731 8.926 2.445 1.00 14.21 H new ATOM 560 N GLU A 39 18.832 4.896 -0.017 1.00 45.03 N ATOM 561 CA GLU A 39 19.585 3.787 -0.592 1.00 33.22 C ATOM 562 C GLU A 39 19.388 3.721 -2.104 1.00 11.24 C ATOM 563 O GLU A 39 20.339 3.508 -2.856 1.00 51.23 O ATOM 564 CB GLU A 39 19.155 2.465 0.047 1.00 31.34 C ATOM 565 CG GLU A 39 19.642 2.293 1.476 1.00 23.42 C ATOM 566 CD GLU A 39 21.088 1.841 1.549 1.00 31.50 C ATOM 567 OE1 GLU A 39 21.679 1.566 0.484 1.00 74.21 O ATOM 568 OE2 GLU A 39 21.628 1.762 2.672 1.00 23.13 O ATOM 0 H GLU A 39 17.905 4.644 0.326 1.00 45.03 H new ATOM 0 HA GLU A 39 20.642 3.955 -0.388 1.00 33.22 H new ATOM 0 HB2 GLU A 39 18.067 2.401 0.033 1.00 31.34 H new ATOM 0 HB3 GLU A 39 19.531 1.640 -0.558 1.00 31.34 H new ATOM 0 HG2 GLU A 39 19.533 3.237 2.009 1.00 23.42 H new ATOM 0 HG3 GLU A 39 19.011 1.565 1.986 1.00 23.42 H new ATOM 575 N CYS A 40 18.147 3.905 -2.541 1.00 52.02 N ATOM 576 CA CYS A 40 17.823 3.866 -3.962 1.00 52.01 C ATOM 577 C CYS A 40 18.544 4.980 -4.715 1.00 53.42 C ATOM 578 O CYS A 40 18.831 4.853 -5.905 1.00 54.50 O ATOM 579 CB CYS A 40 16.312 3.993 -4.166 1.00 33.34 C ATOM 580 SG CYS A 40 15.507 2.460 -4.732 1.00 33.32 S ATOM 0 H CYS A 40 17.349 4.083 -1.931 1.00 52.02 H new ATOM 0 HA CYS A 40 18.157 2.907 -4.359 1.00 52.01 H new ATOM 0 HB2 CYS A 40 15.854 4.306 -3.227 1.00 33.34 H new ATOM 0 HB3 CYS A 40 16.119 4.782 -4.893 1.00 33.34 H new ATOM 0 HG CYS A 40 14.216 2.600 -4.671 1.00 33.32 H new ATOM 585 N GLU A 41 18.833 6.071 -4.012 1.00 41.14 N ATOM 586 CA GLU A 41 19.520 7.207 -4.615 1.00 52.50 C ATOM 587 C GLU A 41 21.034 7.034 -4.534 1.00 33.14 C ATOM 588 O GLU A 41 21.793 7.942 -4.873 1.00 15.23 O ATOM 589 CB GLU A 41 19.106 8.508 -3.922 1.00 65.41 C ATOM 590 CG GLU A 41 19.473 9.757 -4.705 1.00 0.45 C ATOM 591 CD GLU A 41 20.132 10.815 -3.840 1.00 20.41 C ATOM 592 OE1 GLU A 41 20.997 10.453 -3.015 1.00 72.21 O ATOM 593 OE2 GLU A 41 19.783 12.004 -3.989 1.00 15.40 O ATOM 0 H GLU A 41 18.602 6.192 -3.026 1.00 41.14 H new ATOM 0 HA GLU A 41 19.234 7.256 -5.666 1.00 52.50 H new ATOM 0 HB2 GLU A 41 18.028 8.496 -3.758 1.00 65.41 H new ATOM 0 HB3 GLU A 41 19.577 8.553 -2.940 1.00 65.41 H new ATOM 0 HG2 GLU A 41 20.146 9.487 -5.518 1.00 0.45 H new ATOM 0 HG3 GLU A 41 18.574 10.173 -5.160 1.00 0.45 H new ATOM 600 N ASP A 42 21.465 5.862 -4.081 1.00 62.11 N ATOM 601 CA ASP A 42 22.888 5.568 -3.955 1.00 20.21 C ATOM 602 C ASP A 42 23.528 5.382 -5.327 1.00 43.20 C ATOM 603 O ASP A 42 24.737 5.546 -5.486 1.00 5.21 O ATOM 604 CB ASP A 42 23.098 4.313 -3.106 1.00 71.34 C ATOM 605 CG ASP A 42 24.548 4.118 -2.709 1.00 50.21 C ATOM 606 OD1 ASP A 42 25.305 3.518 -3.501 1.00 2.31 O ATOM 607 OD2 ASP A 42 24.926 4.567 -1.607 1.00 31.32 O ATOM 0 H ASP A 42 20.850 5.100 -3.795 1.00 62.11 H new ATOM 0 HA ASP A 42 23.367 6.415 -3.463 1.00 20.21 H new ATOM 0 HB2 ASP A 42 22.484 4.379 -2.208 1.00 71.34 H new ATOM 0 HB3 ASP A 42 22.756 3.440 -3.662 1.00 71.34 H new ATOM 612 N ALA A 43 22.709 5.038 -6.315 1.00 72.01 N ATOM 613 CA ALA A 43 23.195 4.831 -7.674 1.00 32.14 C ATOM 614 C ALA A 43 23.557 6.156 -8.335 1.00 4.21 C ATOM 615 O ALA A 43 22.790 6.691 -9.134 1.00 51.30 O ATOM 616 CB ALA A 43 22.152 4.094 -8.501 1.00 32.13 C ATOM 0 H ALA A 43 21.705 4.897 -6.200 1.00 72.01 H new ATOM 0 HA ALA A 43 24.098 4.222 -7.622 1.00 32.14 H new ATOM 0 HB1 ALA A 43 22.528 3.946 -9.513 1.00 32.13 H new ATOM 0 HB2 ALA A 43 21.945 3.125 -8.046 1.00 32.13 H new ATOM 0 HB3 ALA A 43 21.235 4.682 -8.537 1.00 32.13 H new ATOM 622 N GLU A 44 24.731 6.680 -7.996 1.00 1.24 N ATOM 623 CA GLU A 44 25.193 7.944 -8.556 1.00 43.34 C ATOM 624 C GLU A 44 25.146 7.913 -10.081 1.00 74.24 C ATOM 625 O GLU A 44 25.655 6.986 -10.710 1.00 44.52 O ATOM 626 CB GLU A 44 26.618 8.246 -8.086 1.00 13.11 C ATOM 627 CG GLU A 44 27.574 7.078 -8.254 1.00 25.33 C ATOM 628 CD GLU A 44 29.003 7.438 -7.896 1.00 64.04 C ATOM 629 OE1 GLU A 44 29.317 7.490 -6.689 1.00 23.53 O ATOM 630 OE2 GLU A 44 29.807 7.668 -8.824 1.00 4.44 O ATOM 0 H GLU A 44 25.379 6.249 -7.337 1.00 1.24 H new ATOM 0 HA GLU A 44 24.527 8.732 -8.204 1.00 43.34 H new ATOM 0 HB2 GLU A 44 27.001 9.101 -8.642 1.00 13.11 H new ATOM 0 HB3 GLU A 44 26.592 8.535 -7.035 1.00 13.11 H new ATOM 0 HG2 GLU A 44 27.244 6.250 -7.627 1.00 25.33 H new ATOM 0 HG3 GLU A 44 27.539 6.730 -9.286 1.00 25.33 H new ATOM 637 N GLY A 45 24.528 8.933 -10.670 1.00 21.03 N ATOM 638 CA GLY A 45 24.424 9.003 -12.115 1.00 40.15 C ATOM 639 C GLY A 45 23.099 8.474 -12.628 1.00 10.34 C ATOM 640 O GLY A 45 22.698 8.771 -13.753 1.00 32.24 O ATOM 0 H GLY A 45 24.098 9.712 -10.171 1.00 21.03 H new ATOM 0 HA2 GLY A 45 24.547 10.038 -12.435 1.00 40.15 H new ATOM 0 HA3 GLY A 45 25.237 8.432 -12.563 1.00 40.15 H new ATOM 644 N ALA A 46 22.418 7.687 -11.801 1.00 3.42 N ATOM 645 CA ALA A 46 21.131 7.116 -12.176 1.00 51.33 C ATOM 646 C ALA A 46 19.983 7.859 -11.501 1.00 51.12 C ATOM 647 O ALA A 46 20.172 8.519 -10.479 1.00 41.51 O ATOM 648 CB ALA A 46 21.086 5.637 -11.822 1.00 10.31 C ATOM 0 H ALA A 46 22.737 7.431 -10.867 1.00 3.42 H new ATOM 0 HA ALA A 46 21.014 7.224 -13.254 1.00 51.33 H new ATOM 0 HB1 ALA A 46 20.119 5.224 -12.108 1.00 10.31 H new ATOM 0 HB2 ALA A 46 21.877 5.111 -12.356 1.00 10.31 H new ATOM 0 HB3 ALA A 46 21.230 5.515 -10.748 1.00 10.31 H new ATOM 654 N THR A 47 18.791 7.748 -12.079 1.00 72.22 N ATOM 655 CA THR A 47 17.612 8.410 -11.535 1.00 5.34 C ATOM 656 C THR A 47 16.595 7.394 -11.028 1.00 41.23 C ATOM 657 O THR A 47 16.164 6.511 -11.769 1.00 74.31 O ATOM 658 CB THR A 47 16.940 9.314 -12.585 1.00 73.55 C ATOM 659 OG1 THR A 47 17.884 10.264 -13.091 1.00 13.22 O ATOM 660 CG2 THR A 47 15.747 10.044 -11.987 1.00 42.32 C ATOM 0 H THR A 47 18.617 7.205 -12.925 1.00 72.22 H new ATOM 0 HA THR A 47 17.952 9.025 -10.702 1.00 5.34 H new ATOM 0 HB THR A 47 16.587 8.684 -13.402 1.00 73.55 H new ATOM 0 HG1 THR A 47 17.449 10.834 -13.759 1.00 13.22 H new ATOM 0 HG21 THR A 47 15.289 10.676 -12.747 1.00 42.32 H new ATOM 0 HG22 THR A 47 15.017 9.317 -11.631 1.00 42.32 H new ATOM 0 HG23 THR A 47 16.079 10.662 -11.153 1.00 42.32 H new ATOM 668 N VAL A 48 16.215 7.525 -9.761 1.00 54.55 N ATOM 669 CA VAL A 48 15.246 6.619 -9.156 1.00 52.34 C ATOM 670 C VAL A 48 13.874 7.275 -9.046 1.00 1.41 C ATOM 671 O VAL A 48 13.712 8.292 -8.369 1.00 25.43 O ATOM 672 CB VAL A 48 15.700 6.165 -7.756 1.00 50.44 C ATOM 673 CG1 VAL A 48 16.021 7.369 -6.883 1.00 30.41 C ATOM 674 CG2 VAL A 48 14.635 5.294 -7.108 1.00 10.23 C ATOM 0 H VAL A 48 16.563 8.250 -9.134 1.00 54.55 H new ATOM 0 HA VAL A 48 15.177 5.748 -9.808 1.00 52.34 H new ATOM 0 HB VAL A 48 16.608 5.571 -7.861 1.00 50.44 H new ATOM 0 HG11 VAL A 48 16.340 7.029 -5.898 1.00 30.41 H new ATOM 0 HG12 VAL A 48 16.821 7.949 -7.343 1.00 30.41 H new ATOM 0 HG13 VAL A 48 15.133 7.992 -6.782 1.00 30.41 H new ATOM 0 HG21 VAL A 48 14.972 4.982 -6.120 1.00 10.23 H new ATOM 0 HG22 VAL A 48 13.709 5.861 -7.013 1.00 10.23 H new ATOM 0 HG23 VAL A 48 14.459 4.414 -7.726 1.00 10.23 H new ATOM 684 N LEU A 49 12.888 6.688 -9.715 1.00 0.22 N ATOM 685 CA LEU A 49 11.528 7.215 -9.692 1.00 11.13 C ATOM 686 C LEU A 49 10.527 6.124 -9.324 1.00 4.14 C ATOM 687 O LEU A 49 10.630 4.989 -9.790 1.00 44.33 O ATOM 688 CB LEU A 49 11.169 7.814 -11.053 1.00 12.14 C ATOM 689 CG LEU A 49 10.381 9.124 -11.023 1.00 1.45 C ATOM 690 CD1 LEU A 49 9.881 9.478 -12.414 1.00 55.42 C ATOM 691 CD2 LEU A 49 9.219 9.026 -10.045 1.00 21.31 C ATOM 0 H LEU A 49 13.005 5.847 -10.280 1.00 0.22 H new ATOM 0 HA LEU A 49 11.481 7.997 -8.934 1.00 11.13 H new ATOM 0 HB2 LEU A 49 12.092 7.981 -11.609 1.00 12.14 H new ATOM 0 HB3 LEU A 49 10.590 7.078 -11.610 1.00 12.14 H new ATOM 0 HG LEU A 49 11.047 9.918 -10.686 1.00 1.45 H new ATOM 0 HD11 LEU A 49 9.323 10.413 -12.373 1.00 55.42 H new ATOM 0 HD12 LEU A 49 10.730 9.592 -13.088 1.00 55.42 H new ATOM 0 HD13 LEU A 49 9.231 8.683 -12.780 1.00 55.42 H new ATOM 0 HD21 LEU A 49 8.670 9.967 -10.037 1.00 21.31 H new ATOM 0 HD22 LEU A 49 8.553 8.220 -10.351 1.00 21.31 H new ATOM 0 HD23 LEU A 49 9.601 8.821 -9.045 1.00 21.31 H new ATOM 703 N CYS A 50 9.558 6.476 -8.485 1.00 62.34 N ATOM 704 CA CYS A 50 8.537 5.528 -8.055 1.00 42.14 C ATOM 705 C CYS A 50 7.139 6.069 -8.340 1.00 31.13 C ATOM 706 O CYS A 50 6.913 7.279 -8.321 1.00 4.34 O ATOM 707 CB CYS A 50 8.686 5.228 -6.563 1.00 2.25 C ATOM 708 SG CYS A 50 7.833 3.713 -6.020 1.00 12.24 S ATOM 0 H CYS A 50 9.459 7.411 -8.090 1.00 62.34 H new ATOM 0 HA CYS A 50 8.672 4.605 -8.619 1.00 42.14 H new ATOM 0 HB2 CYS A 50 9.746 5.140 -6.325 1.00 2.25 H new ATOM 0 HB3 CYS A 50 8.300 6.073 -5.993 1.00 2.25 H new ATOM 713 N CYS A 51 6.203 5.163 -8.603 1.00 13.41 N ATOM 714 CA CYS A 51 4.826 5.547 -8.891 1.00 42.54 C ATOM 715 C CYS A 51 3.946 5.387 -7.655 1.00 43.40 C ATOM 716 O CYS A 51 4.187 4.538 -6.797 1.00 75.42 O ATOM 717 CB CYS A 51 4.269 4.704 -10.040 1.00 23.21 C ATOM 718 SG CYS A 51 5.505 4.259 -11.303 1.00 14.22 S ATOM 0 H CYS A 51 6.373 4.157 -8.623 1.00 13.41 H new ATOM 0 HA CYS A 51 4.822 6.597 -9.184 1.00 42.54 H new ATOM 0 HB2 CYS A 51 3.838 3.790 -9.630 1.00 23.21 H new ATOM 0 HB3 CYS A 51 3.457 5.252 -10.518 1.00 23.21 H new ATOM 723 N PRO A 52 2.902 6.223 -7.560 1.00 54.42 N ATOM 724 CA PRO A 52 1.964 6.194 -6.434 1.00 1.13 C ATOM 725 C PRO A 52 1.089 4.945 -6.440 1.00 4.13 C ATOM 726 O PRO A 52 0.361 4.682 -5.483 1.00 42.43 O ATOM 727 CB PRO A 52 1.110 7.446 -6.650 1.00 62.02 C ATOM 728 CG PRO A 52 1.185 7.707 -8.115 1.00 72.41 C ATOM 729 CD PRO A 52 2.555 7.261 -8.546 1.00 11.12 C ATOM 0 HA PRO A 52 2.481 6.174 -5.474 1.00 1.13 H new ATOM 0 HB2 PRO A 52 0.081 7.284 -6.329 1.00 62.02 H new ATOM 0 HB3 PRO A 52 1.493 8.290 -6.077 1.00 62.02 H new ATOM 0 HG2 PRO A 52 0.410 7.158 -8.649 1.00 72.41 H new ATOM 0 HG3 PRO A 52 1.033 8.764 -8.331 1.00 72.41 H new ATOM 0 HD2 PRO A 52 2.548 6.864 -9.561 1.00 11.12 H new ATOM 0 HD3 PRO A 52 3.269 8.084 -8.531 1.00 11.12 H new ATOM 737 N GLU A 53 1.167 4.179 -7.523 1.00 61.12 N ATOM 738 CA GLU A 53 0.381 2.957 -7.652 1.00 43.42 C ATOM 739 C GLU A 53 1.108 1.774 -7.020 1.00 34.25 C ATOM 740 O GLU A 53 2.197 1.924 -6.467 1.00 24.02 O ATOM 741 CB GLU A 53 0.092 2.664 -9.126 1.00 30.23 C ATOM 742 CG GLU A 53 1.289 2.116 -9.884 1.00 24.44 C ATOM 743 CD GLU A 53 1.011 1.936 -11.363 1.00 72.23 C ATOM 744 OE1 GLU A 53 0.405 0.907 -11.732 1.00 3.44 O ATOM 745 OE2 GLU A 53 1.398 2.822 -12.153 1.00 2.44 O ATOM 0 H GLU A 53 1.766 4.382 -8.323 1.00 61.12 H new ATOM 0 HA GLU A 53 -0.562 3.104 -7.126 1.00 43.42 H new ATOM 0 HB2 GLU A 53 -0.727 1.948 -9.191 1.00 30.23 H new ATOM 0 HB3 GLU A 53 -0.246 3.580 -9.610 1.00 30.23 H new ATOM 0 HG2 GLU A 53 2.135 2.792 -9.757 1.00 24.44 H new ATOM 0 HG3 GLU A 53 1.579 1.158 -9.453 1.00 24.44 H new ATOM 752 N ASP A 54 0.496 0.598 -7.104 1.00 75.15 N ATOM 753 CA ASP A 54 1.083 -0.612 -6.541 1.00 71.32 C ATOM 754 C ASP A 54 1.723 -1.465 -7.633 1.00 15.33 C ATOM 755 O ASP A 54 1.150 -1.647 -8.708 1.00 62.41 O ATOM 756 CB ASP A 54 0.019 -1.424 -5.801 1.00 22.15 C ATOM 757 CG ASP A 54 -0.996 -0.544 -5.099 1.00 14.11 C ATOM 758 OD1 ASP A 54 -1.962 -0.108 -5.760 1.00 73.44 O ATOM 759 OD2 ASP A 54 -0.826 -0.291 -3.888 1.00 61.21 O ATOM 0 H ASP A 54 -0.407 0.457 -7.557 1.00 75.15 H new ATOM 0 HA ASP A 54 1.859 -0.315 -5.835 1.00 71.32 H new ATOM 0 HB2 ASP A 54 -0.496 -2.074 -6.509 1.00 22.15 H new ATOM 0 HB3 ASP A 54 0.503 -2.070 -5.069 1.00 22.15 H new ATOM 764 N LEU A 55 2.912 -1.983 -7.350 1.00 64.30 N ATOM 765 CA LEU A 55 3.631 -2.816 -8.308 1.00 62.11 C ATOM 766 C LEU A 55 3.921 -2.044 -9.591 1.00 75.14 C ATOM 767 O LEU A 55 3.471 -2.425 -10.673 1.00 20.14 O ATOM 768 CB LEU A 55 2.822 -4.074 -8.628 1.00 22.42 C ATOM 769 CG LEU A 55 2.414 -4.932 -7.430 1.00 21.43 C ATOM 770 CD1 LEU A 55 1.540 -6.094 -7.878 1.00 5.23 C ATOM 771 CD2 LEU A 55 3.645 -5.441 -6.694 1.00 63.43 C ATOM 0 H LEU A 55 3.399 -1.841 -6.465 1.00 64.30 H new ATOM 0 HA LEU A 55 4.580 -3.107 -7.858 1.00 62.11 H new ATOM 0 HB2 LEU A 55 1.919 -3.775 -9.160 1.00 22.42 H new ATOM 0 HB3 LEU A 55 3.404 -4.692 -9.311 1.00 22.42 H new ATOM 0 HG LEU A 55 1.836 -4.313 -6.744 1.00 21.43 H new ATOM 0 HD11 LEU A 55 1.260 -6.693 -7.012 1.00 5.23 H new ATOM 0 HD12 LEU A 55 0.641 -5.709 -8.359 1.00 5.23 H new ATOM 0 HD13 LEU A 55 2.092 -6.714 -8.584 1.00 5.23 H new ATOM 0 HD21 LEU A 55 3.335 -6.050 -5.844 1.00 63.43 H new ATOM 0 HD22 LEU A 55 4.250 -6.044 -7.371 1.00 63.43 H new ATOM 0 HD23 LEU A 55 4.232 -4.594 -6.339 1.00 63.43 H new ATOM 783 N CYS A 56 4.676 -0.958 -9.465 1.00 15.02 N ATOM 784 CA CYS A 56 5.027 -0.132 -10.614 1.00 23.42 C ATOM 785 C CYS A 56 6.439 -0.448 -11.099 1.00 24.15 C ATOM 786 O CYS A 56 6.798 -0.147 -12.236 1.00 10.40 O ATOM 787 CB CYS A 56 4.919 1.351 -10.255 1.00 22.13 C ATOM 788 SG CYS A 56 5.296 2.479 -11.634 1.00 42.32 S ATOM 0 H CYS A 56 5.057 -0.629 -8.578 1.00 15.02 H new ATOM 0 HA CYS A 56 4.326 -0.356 -11.419 1.00 23.42 H new ATOM 0 HB2 CYS A 56 3.909 1.555 -9.899 1.00 22.13 H new ATOM 0 HB3 CYS A 56 5.598 1.564 -9.429 1.00 22.13 H new ATOM 793 N ASN A 57 7.236 -1.058 -10.226 1.00 51.44 N ATOM 794 CA ASN A 57 8.609 -1.414 -10.565 1.00 30.30 C ATOM 795 C ASN A 57 8.726 -2.906 -10.861 1.00 23.45 C ATOM 796 O ASN A 57 7.835 -3.501 -11.467 1.00 44.40 O ATOM 797 CB ASN A 57 9.553 -1.033 -9.423 1.00 22.41 C ATOM 798 CG ASN A 57 9.484 -2.011 -8.265 1.00 43.34 C ATOM 799 OD1 ASN A 57 8.426 -2.210 -7.669 1.00 71.10 O ATOM 800 ND2 ASN A 57 10.616 -2.625 -7.942 1.00 61.42 N ATOM 0 H ASN A 57 6.954 -1.315 -9.280 1.00 51.44 H new ATOM 0 HA ASN A 57 8.892 -0.861 -11.461 1.00 30.30 H new ATOM 0 HB2 ASN A 57 10.575 -0.991 -9.799 1.00 22.41 H new ATOM 0 HB3 ASN A 57 9.303 -0.034 -9.067 1.00 22.41 H new ATOM 0 HD21 ASN A 57 10.632 -3.293 -7.171 1.00 61.42 H new ATOM 0 HD22 ASN A 57 11.470 -2.429 -8.464 1.00 61.42 H new TER 807 ASN A 57