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 7:sc= -25.1! USER MOD Set 1.2: A 40 CYS SG : rot 99:sc= -27.4! USER MOD Set 2.1: A 23 HIS : no HD1:sc= -0.594 K(o=0.39,f=-2.2) USER MOD Set 2.2: A 32 LYS NZ :NH3+ -141:sc= 0.979 (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 91:sc= 1.26 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.94 K(o=-0.94,f=-0.097) USER MOD Single : A 4 ASN : amide:sc= -1.04 K(o=-1,f=-0.051) USER MOD Single : A 5 THR OG1 : rot 46:sc= 0.711 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= -0.816 X(o=-0.82,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ -127:sc= -0.095 (180deg=-1.28) USER MOD Single : A 31 TYR OH : rot -97:sc= 0.533 USER MOD Single : A 33 SER OG : rot 18:sc= 1.19 USER MOD Single : A 37 GLN : amide:sc= -1.98! K(o=-2!,f=-0.85) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.941 K(o=-0.94,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.331 0.097 -0.140 1.00 45.53 N ATOM 2 CA LEU A 1 2.105 0.058 -1.376 1.00 62.44 C ATOM 3 C LEU A 1 2.723 -1.321 -1.588 1.00 5.34 C ATOM 4 O LEU A 1 3.012 -2.035 -0.628 1.00 32.10 O ATOM 5 CB LEU A 1 3.203 1.123 -1.349 1.00 33.22 C ATOM 6 CG LEU A 1 3.283 2.036 -2.573 1.00 32.13 C ATOM 7 CD1 LEU A 1 3.708 1.246 -3.801 1.00 13.21 C ATOM 8 CD2 LEU A 1 1.947 2.723 -2.814 1.00 34.21 C ATOM 0 H1 LEU A 1 0.920 1.045 -0.017 1.00 45.53 H new ATOM 0 H2 LEU A 1 0.568 -0.608 -0.186 1.00 45.53 H new ATOM 0 H3 LEU A 1 1.952 -0.118 0.666 1.00 45.53 H new ATOM 0 HA LEU A 1 1.429 0.265 -2.205 1.00 62.44 H new ATOM 0 HB2 LEU A 1 3.057 1.745 -0.466 1.00 33.22 H new ATOM 0 HB3 LEU A 1 4.164 0.622 -1.231 1.00 33.22 H new ATOM 0 HG LEU A 1 4.034 2.803 -2.382 1.00 32.13 H new ATOM 0 HD11 LEU A 1 3.759 1.912 -4.662 1.00 13.21 H new ATOM 0 HD12 LEU A 1 4.688 0.802 -3.627 1.00 13.21 H new ATOM 0 HD13 LEU A 1 2.981 0.457 -3.995 1.00 13.21 H new ATOM 0 HD21 LEU A 1 2.023 3.369 -3.689 1.00 34.21 H new ATOM 0 HD22 LEU A 1 1.176 1.971 -2.984 1.00 34.21 H new ATOM 0 HD23 LEU A 1 1.684 3.322 -1.942 1.00 34.21 H new ATOM 20 N GLN A 2 2.926 -1.686 -2.850 1.00 12.35 N ATOM 21 CA GLN A 2 3.512 -2.978 -3.186 1.00 14.12 C ATOM 22 C GLN A 2 4.637 -2.817 -4.202 1.00 64.31 C ATOM 23 O GLN A 2 4.627 -1.892 -5.015 1.00 21.31 O ATOM 24 CB GLN A 2 2.440 -3.919 -3.739 1.00 30.03 C ATOM 25 CG GLN A 2 1.913 -4.910 -2.713 1.00 53.33 C ATOM 26 CD GLN A 2 1.042 -5.984 -3.334 1.00 34.10 C ATOM 27 OE1 GLN A 2 -0.169 -6.022 -3.113 1.00 31.40 O ATOM 28 NE2 GLN A 2 1.655 -6.865 -4.116 1.00 54.44 N ATOM 0 H GLN A 2 2.693 -1.106 -3.656 1.00 12.35 H new ATOM 0 HA GLN A 2 3.928 -3.408 -2.275 1.00 14.12 H new ATOM 0 HB2 GLN A 2 1.609 -3.326 -4.119 1.00 30.03 H new ATOM 0 HB3 GLN A 2 2.852 -4.469 -4.585 1.00 30.03 H new ATOM 0 HG2 GLN A 2 2.753 -5.380 -2.202 1.00 53.33 H new ATOM 0 HG3 GLN A 2 1.339 -4.374 -1.957 1.00 53.33 H new ATOM 0 HE21 GLN A 2 2.661 -6.796 -4.272 1.00 54.44 H new ATOM 0 HE22 GLN A 2 1.120 -7.611 -4.561 1.00 54.44 H new ATOM 37 N CYS A 3 5.608 -3.723 -4.151 1.00 20.44 N ATOM 38 CA CYS A 3 6.742 -3.683 -5.066 1.00 2.44 C ATOM 39 C CYS A 3 7.071 -5.079 -5.587 1.00 0.41 C ATOM 40 O CYS A 3 6.850 -6.076 -4.902 1.00 35.12 O ATOM 41 CB CYS A 3 7.966 -3.085 -4.368 1.00 31.51 C ATOM 42 SG CYS A 3 7.601 -1.616 -3.355 1.00 41.35 S ATOM 0 H CYS A 3 5.632 -4.495 -3.485 1.00 20.44 H new ATOM 0 HA CYS A 3 6.471 -3.053 -5.913 1.00 2.44 H new ATOM 0 HB2 CYS A 3 8.418 -3.848 -3.733 1.00 31.51 H new ATOM 0 HB3 CYS A 3 8.707 -2.818 -5.122 1.00 31.51 H new ATOM 47 N ASN A 4 7.601 -5.140 -6.804 1.00 42.01 N ATOM 48 CA ASN A 4 7.961 -6.413 -7.418 1.00 35.20 C ATOM 49 C ASN A 4 9.355 -6.853 -6.982 1.00 50.22 C ATOM 50 O ASN A 4 10.157 -6.042 -6.517 1.00 21.53 O ATOM 51 CB ASN A 4 7.902 -6.303 -8.943 1.00 13.42 C ATOM 52 CG ASN A 4 6.539 -5.858 -9.438 1.00 60.22 C ATOM 53 OD1 ASN A 4 5.732 -6.674 -9.884 1.00 12.03 O ATOM 54 ND2 ASN A 4 6.277 -4.559 -9.362 1.00 41.55 N ATOM 0 H ASN A 4 7.791 -4.323 -7.385 1.00 42.01 H new ATOM 0 HA ASN A 4 7.243 -7.163 -7.087 1.00 35.20 H new ATOM 0 HB2 ASN A 4 8.658 -5.595 -9.283 1.00 13.42 H new ATOM 0 HB3 ASN A 4 8.148 -7.269 -9.384 1.00 13.42 H new ATOM 0 HD21 ASN A 4 5.377 -4.201 -9.680 1.00 41.55 H new ATOM 0 HD22 ASN A 4 6.976 -3.919 -8.985 1.00 41.55 H new ATOM 61 N THR A 5 9.638 -8.143 -7.137 1.00 3.42 N ATOM 62 CA THR A 5 10.935 -8.691 -6.759 1.00 52.13 C ATOM 63 C THR A 5 11.611 -9.369 -7.945 1.00 62.21 C ATOM 64 O THR A 5 10.969 -9.663 -8.955 1.00 4.43 O ATOM 65 CB THR A 5 10.802 -9.706 -5.609 1.00 32.42 C ATOM 66 OG1 THR A 5 9.432 -10.093 -5.452 1.00 51.13 O ATOM 67 CG2 THR A 5 11.320 -9.118 -4.305 1.00 62.22 C ATOM 0 H THR A 5 8.987 -8.827 -7.522 1.00 3.42 H new ATOM 0 HA THR A 5 11.547 -7.854 -6.425 1.00 52.13 H new ATOM 0 HB THR A 5 11.401 -10.582 -5.857 1.00 32.42 H new ATOM 0 HG1 THR A 5 9.046 -10.292 -6.330 1.00 51.13 H new ATOM 0 HG21 THR A 5 11.216 -9.854 -3.507 1.00 62.22 H new ATOM 0 HG22 THR A 5 12.371 -8.852 -4.418 1.00 62.22 H new ATOM 0 HG23 THR A 5 10.745 -8.227 -4.054 1.00 62.22 H new ATOM 75 N LEU A 6 12.910 -9.617 -7.817 1.00 1.30 N ATOM 76 CA LEU A 6 13.674 -10.262 -8.879 1.00 23.12 C ATOM 77 C LEU A 6 13.220 -11.704 -9.078 1.00 35.55 C ATOM 78 O LEU A 6 13.413 -12.285 -10.146 1.00 31.33 O ATOM 79 CB LEU A 6 15.168 -10.227 -8.553 1.00 4.24 C ATOM 80 CG LEU A 6 15.669 -11.299 -7.584 1.00 44.21 C ATOM 81 CD1 LEU A 6 17.188 -11.283 -7.510 1.00 64.52 C ATOM 82 CD2 LEU A 6 15.064 -11.094 -6.203 1.00 24.42 C ATOM 0 H LEU A 6 13.456 -9.381 -6.988 1.00 1.30 H new ATOM 0 HA LEU A 6 13.497 -9.714 -9.804 1.00 23.12 H new ATOM 0 HB2 LEU A 6 15.725 -10.319 -9.485 1.00 4.24 H new ATOM 0 HB3 LEU A 6 15.406 -9.249 -8.135 1.00 4.24 H new ATOM 0 HG LEU A 6 15.354 -12.274 -7.956 1.00 44.21 H new ATOM 0 HD11 LEU A 6 17.527 -12.052 -6.816 1.00 64.52 H new ATOM 0 HD12 LEU A 6 17.603 -11.479 -8.499 1.00 64.52 H new ATOM 0 HD13 LEU A 6 17.525 -10.307 -7.162 1.00 64.52 H new ATOM 0 HD21 LEU A 6 15.431 -11.866 -5.527 1.00 24.42 H new ATOM 0 HD22 LEU A 6 15.349 -10.113 -5.823 1.00 24.42 H new ATOM 0 HD23 LEU A 6 13.978 -11.156 -6.269 1.00 24.42 H new ATOM 94 N ASP A 7 12.613 -12.276 -8.043 1.00 52.30 N ATOM 95 CA ASP A 7 12.127 -13.649 -8.105 1.00 20.43 C ATOM 96 C ASP A 7 10.829 -13.731 -8.901 1.00 74.33 C ATOM 97 O ASP A 7 10.305 -14.818 -9.144 1.00 40.33 O ATOM 98 CB ASP A 7 11.910 -14.200 -6.694 1.00 41.03 C ATOM 99 CG ASP A 7 12.052 -15.708 -6.634 1.00 35.25 C ATOM 100 OD1 ASP A 7 11.141 -16.410 -7.123 1.00 23.05 O ATOM 101 OD2 ASP A 7 13.073 -16.187 -6.098 1.00 12.22 O ATOM 0 H ASP A 7 12.446 -11.810 -7.151 1.00 52.30 H new ATOM 0 HA ASP A 7 12.881 -14.252 -8.611 1.00 20.43 H new ATOM 0 HB2 ASP A 7 12.629 -13.743 -6.014 1.00 41.03 H new ATOM 0 HB3 ASP A 7 10.917 -13.917 -6.345 1.00 41.03 H new ATOM 106 N GLY A 8 10.313 -12.574 -9.305 1.00 4.34 N ATOM 107 CA GLY A 8 9.080 -12.537 -10.068 1.00 51.33 C ATOM 108 C GLY A 8 7.853 -12.432 -9.184 1.00 4.01 C ATOM 109 O GLY A 8 6.735 -12.291 -9.676 1.00 73.01 O ATOM 0 H GLY A 8 10.728 -11.661 -9.117 1.00 4.34 H new ATOM 0 HA2 GLY A 8 9.105 -11.688 -10.752 1.00 51.33 H new ATOM 0 HA3 GLY A 8 9.008 -13.437 -10.679 1.00 51.33 H new ATOM 113 N GLY A 9 8.063 -12.503 -7.873 1.00 0.33 N ATOM 114 CA GLY A 9 6.956 -12.415 -6.939 1.00 32.13 C ATOM 115 C GLY A 9 6.655 -10.987 -6.529 1.00 30.15 C ATOM 116 O GLY A 9 7.326 -10.052 -6.966 1.00 64.23 O ATOM 0 H GLY A 9 8.980 -12.620 -7.441 1.00 0.33 H new ATOM 0 HA2 GLY A 9 6.067 -12.855 -7.391 1.00 32.13 H new ATOM 0 HA3 GLY A 9 7.186 -13.004 -6.051 1.00 32.13 H new ATOM 120 N THR A 10 5.641 -10.816 -5.686 1.00 72.11 N ATOM 121 CA THR A 10 5.250 -9.492 -5.219 1.00 42.10 C ATOM 122 C THR A 10 5.498 -9.342 -3.722 1.00 53.34 C ATOM 123 O THR A 10 5.337 -10.293 -2.959 1.00 61.54 O ATOM 124 CB THR A 10 3.765 -9.208 -5.513 1.00 41.13 C ATOM 125 OG1 THR A 10 2.992 -10.399 -5.327 1.00 3.10 O ATOM 126 CG2 THR A 10 3.583 -8.696 -6.934 1.00 62.43 C ATOM 0 H THR A 10 5.076 -11.579 -5.313 1.00 72.11 H new ATOM 0 HA THR A 10 5.864 -8.772 -5.760 1.00 42.10 H new ATOM 0 HB THR A 10 3.421 -8.440 -4.820 1.00 41.13 H new ATOM 0 HG1 THR A 10 2.049 -10.209 -5.514 1.00 3.10 H new ATOM 0 HG21 THR A 10 2.526 -8.502 -7.118 1.00 62.43 H new ATOM 0 HG22 THR A 10 4.149 -7.773 -7.064 1.00 62.43 H new ATOM 0 HG23 THR A 10 3.943 -9.445 -7.639 1.00 62.43 H new ATOM 134 N GLU A 11 5.889 -8.140 -3.310 1.00 31.04 N ATOM 135 CA GLU A 11 6.159 -7.867 -1.903 1.00 15.31 C ATOM 136 C GLU A 11 5.440 -6.600 -1.447 1.00 42.35 C ATOM 137 O GLU A 11 5.262 -5.662 -2.224 1.00 72.45 O ATOM 138 CB GLU A 11 7.664 -7.726 -1.667 1.00 53.52 C ATOM 139 CG GLU A 11 8.493 -8.778 -2.384 1.00 3.25 C ATOM 140 CD GLU A 11 9.690 -9.231 -1.570 1.00 0.32 C ATOM 141 OE1 GLU A 11 10.579 -8.393 -1.306 1.00 75.42 O ATOM 142 OE2 GLU A 11 9.738 -10.421 -1.197 1.00 65.40 O ATOM 0 H GLU A 11 6.026 -7.341 -3.929 1.00 31.04 H new ATOM 0 HA GLU A 11 5.785 -8.707 -1.318 1.00 15.31 H new ATOM 0 HB2 GLU A 11 7.984 -6.737 -1.996 1.00 53.52 H new ATOM 0 HB3 GLU A 11 7.863 -7.786 -0.597 1.00 53.52 H new ATOM 0 HG2 GLU A 11 7.864 -9.639 -2.609 1.00 3.25 H new ATOM 0 HG3 GLU A 11 8.837 -8.377 -3.337 1.00 3.25 H new ATOM 149 N GLU A 12 5.030 -6.581 -0.183 1.00 4.20 N ATOM 150 CA GLU A 12 4.330 -5.430 0.375 1.00 3.23 C ATOM 151 C GLU A 12 5.319 -4.411 0.935 1.00 33.14 C ATOM 152 O GLU A 12 6.097 -4.716 1.839 1.00 22.35 O ATOM 153 CB GLU A 12 3.364 -5.877 1.474 1.00 12.41 C ATOM 154 CG GLU A 12 4.047 -6.569 2.642 1.00 42.55 C ATOM 155 CD GLU A 12 3.061 -7.221 3.591 1.00 64.30 C ATOM 156 OE1 GLU A 12 2.415 -6.489 4.370 1.00 60.34 O ATOM 157 OE2 GLU A 12 2.936 -8.463 3.556 1.00 64.21 O ATOM 0 H GLU A 12 5.170 -7.349 0.474 1.00 4.20 H new ATOM 0 HA GLU A 12 3.763 -4.957 -0.427 1.00 3.23 H new ATOM 0 HB2 GLU A 12 2.822 -5.007 1.845 1.00 12.41 H new ATOM 0 HB3 GLU A 12 2.626 -6.553 1.044 1.00 12.41 H new ATOM 0 HG2 GLU A 12 4.733 -7.325 2.261 1.00 42.55 H new ATOM 0 HG3 GLU A 12 4.647 -5.842 3.190 1.00 42.55 H new ATOM 164 N CYS A 13 5.282 -3.199 0.392 1.00 61.24 N ATOM 165 CA CYS A 13 6.174 -2.134 0.835 1.00 70.44 C ATOM 166 C CYS A 13 5.447 -1.168 1.765 1.00 21.14 C ATOM 167 O CYS A 13 4.533 -0.457 1.347 1.00 32.13 O ATOM 168 CB CYS A 13 6.734 -1.375 -0.370 1.00 71.51 C ATOM 169 SG CYS A 13 7.875 -2.353 -1.400 1.00 70.20 S ATOM 0 H CYS A 13 4.643 -2.930 -0.356 1.00 61.24 H new ATOM 0 HA CYS A 13 6.998 -2.589 1.384 1.00 70.44 H new ATOM 0 HB2 CYS A 13 5.904 -1.034 -0.989 1.00 71.51 H new ATOM 0 HB3 CYS A 13 7.254 -0.485 -0.016 1.00 71.51 H new ATOM 174 N ILE A 14 5.860 -1.148 3.028 1.00 24.10 N ATOM 175 CA ILE A 14 5.250 -0.269 4.017 1.00 0.43 C ATOM 176 C ILE A 14 5.789 1.153 3.896 1.00 21.33 C ATOM 177 O ILE A 14 6.964 1.375 3.605 1.00 65.34 O ATOM 178 CB ILE A 14 5.494 -0.778 5.450 1.00 11.01 C ATOM 179 CG1 ILE A 14 6.995 -0.864 5.736 1.00 74.35 C ATOM 180 CG2 ILE A 14 4.832 -2.133 5.650 1.00 23.22 C ATOM 181 CD1 ILE A 14 7.317 -1.346 7.133 1.00 63.14 C ATOM 0 H ILE A 14 6.615 -1.731 3.390 1.00 24.10 H new ATOM 0 HA ILE A 14 4.178 -0.267 3.819 1.00 0.43 H new ATOM 0 HB ILE A 14 5.050 -0.072 6.151 1.00 11.01 H new ATOM 0 HG12 ILE A 14 7.456 -1.537 5.013 1.00 74.35 H new ATOM 0 HG13 ILE A 14 7.442 0.119 5.587 1.00 74.35 H new ATOM 0 HG21 ILE A 14 5.013 -2.480 6.667 1.00 23.22 H new ATOM 0 HG22 ILE A 14 3.759 -2.042 5.483 1.00 23.22 H new ATOM 0 HG23 ILE A 14 5.249 -2.850 4.943 1.00 23.22 H new ATOM 0 HD11 ILE A 14 8.398 -1.382 7.265 1.00 63.14 H new ATOM 0 HD12 ILE A 14 6.885 -0.661 7.863 1.00 63.14 H new ATOM 0 HD13 ILE A 14 6.900 -2.342 7.279 1.00 63.14 H new ATOM 193 N PRO A 15 4.911 2.140 4.127 1.00 2.12 N ATOM 194 CA PRO A 15 5.277 3.558 4.052 1.00 34.25 C ATOM 195 C PRO A 15 6.199 3.979 5.191 1.00 44.42 C ATOM 196 O PRO A 15 6.842 5.026 5.127 1.00 41.44 O ATOM 197 CB PRO A 15 3.930 4.277 4.161 1.00 0.43 C ATOM 198 CG PRO A 15 3.049 3.324 4.893 1.00 42.33 C ATOM 199 CD PRO A 15 3.494 1.949 4.480 1.00 63.33 C ATOM 0 HA PRO A 15 5.827 3.790 3.140 1.00 34.25 H new ATOM 0 HB2 PRO A 15 4.027 5.220 4.700 1.00 0.43 H new ATOM 0 HB3 PRO A 15 3.526 4.513 3.176 1.00 0.43 H new ATOM 0 HG2 PRO A 15 3.141 3.457 5.971 1.00 42.33 H new ATOM 0 HG3 PRO A 15 2.001 3.488 4.640 1.00 42.33 H new ATOM 0 HD2 PRO A 15 3.375 1.228 5.289 1.00 63.33 H new ATOM 0 HD3 PRO A 15 2.916 1.577 3.634 1.00 63.33 H new ATOM 207 N GLY A 16 6.260 3.156 6.233 1.00 4.12 N ATOM 208 CA GLY A 16 7.108 3.461 7.371 1.00 11.41 C ATOM 209 C GLY A 16 8.583 3.368 7.037 1.00 63.24 C ATOM 210 O GLY A 16 9.424 3.914 7.751 1.00 2.31 O ATOM 0 H GLY A 16 5.737 2.283 6.310 1.00 4.12 H new ATOM 0 HA2 GLY A 16 6.883 4.465 7.729 1.00 11.41 H new ATOM 0 HA3 GLY A 16 6.879 2.773 8.185 1.00 11.41 H new ATOM 214 N ILE A 17 8.899 2.673 5.949 1.00 31.42 N ATOM 215 CA ILE A 17 10.283 2.509 5.523 1.00 41.14 C ATOM 216 C ILE A 17 10.397 2.540 4.002 1.00 21.13 C ATOM 217 O ILE A 17 10.937 3.486 3.429 1.00 43.12 O ATOM 218 CB ILE A 17 10.881 1.189 6.044 1.00 11.24 C ATOM 219 CG1 ILE A 17 10.626 1.047 7.546 1.00 1.24 C ATOM 220 CG2 ILE A 17 12.372 1.128 5.746 1.00 15.44 C ATOM 221 CD1 ILE A 17 11.179 -0.232 8.135 1.00 43.11 C ATOM 0 H ILE A 17 8.215 2.215 5.347 1.00 31.42 H new ATOM 0 HA ILE A 17 10.843 3.343 5.945 1.00 41.14 H new ATOM 0 HB ILE A 17 10.394 0.359 5.531 1.00 11.24 H new ATOM 0 HG12 ILE A 17 11.070 1.897 8.064 1.00 1.24 H new ATOM 0 HG13 ILE A 17 9.552 1.087 7.729 1.00 1.24 H new ATOM 0 HG21 ILE A 17 12.780 0.189 6.120 1.00 15.44 H new ATOM 0 HG22 ILE A 17 12.531 1.189 4.669 1.00 15.44 H new ATOM 0 HG23 ILE A 17 12.875 1.962 6.234 1.00 15.44 H new ATOM 0 HD11 ILE A 17 10.961 -0.265 9.203 1.00 43.11 H new ATOM 0 HD12 ILE A 17 10.717 -1.088 7.644 1.00 43.11 H new ATOM 0 HD13 ILE A 17 12.258 -0.266 7.983 1.00 43.11 H new ATOM 233 N TYR A 18 9.884 1.500 3.355 1.00 35.11 N ATOM 234 CA TYR A 18 9.928 1.407 1.901 1.00 71.14 C ATOM 235 C TYR A 18 8.968 2.405 1.261 1.00 12.54 C ATOM 236 O TYR A 18 7.754 2.206 1.266 1.00 51.14 O ATOM 237 CB TYR A 18 9.581 -0.013 1.449 1.00 53.55 C ATOM 238 CG TYR A 18 10.349 -1.087 2.184 1.00 34.24 C ATOM 239 CD1 TYR A 18 11.709 -0.952 2.430 1.00 23.10 C ATOM 240 CD2 TYR A 18 9.713 -2.238 2.635 1.00 53.31 C ATOM 241 CE1 TYR A 18 12.415 -1.932 3.101 1.00 12.12 C ATOM 242 CE2 TYR A 18 10.410 -3.222 3.308 1.00 31.13 C ATOM 243 CZ TYR A 18 11.761 -3.065 3.539 1.00 53.25 C ATOM 244 OH TYR A 18 12.460 -4.042 4.209 1.00 73.52 O ATOM 0 H TYR A 18 9.433 0.709 3.815 1.00 35.11 H new ATOM 0 HA TYR A 18 10.941 1.647 1.578 1.00 71.14 H new ATOM 0 HB2 TYR A 18 8.513 -0.180 1.591 1.00 53.55 H new ATOM 0 HB3 TYR A 18 9.778 -0.104 0.381 1.00 53.55 H new ATOM 0 HD1 TYR A 18 12.224 -0.065 2.091 1.00 23.10 H new ATOM 0 HD2 TYR A 18 8.656 -2.365 2.456 1.00 53.31 H new ATOM 0 HE1 TYR A 18 13.473 -1.812 3.282 1.00 12.12 H new ATOM 0 HE2 TYR A 18 9.900 -4.110 3.652 1.00 31.13 H new ATOM 0 HH TYR A 18 11.852 -4.772 4.450 1.00 73.52 H new ATOM 254 N ASN A 19 9.523 3.481 0.712 1.00 75.14 N ATOM 255 CA ASN A 19 8.717 4.512 0.068 1.00 72.14 C ATOM 256 C ASN A 19 9.096 4.659 -1.403 1.00 34.01 C ATOM 257 O ASN A 19 8.381 5.293 -2.179 1.00 11.41 O ATOM 258 CB ASN A 19 8.893 5.850 0.788 1.00 43.33 C ATOM 259 CG ASN A 19 10.126 6.600 0.320 1.00 55.41 C ATOM 260 OD1 ASN A 19 10.046 7.465 -0.553 1.00 74.42 O ATOM 261 ND2 ASN A 19 11.274 6.272 0.901 1.00 73.15 N ATOM 0 H ASN A 19 10.527 3.661 0.700 1.00 75.14 H new ATOM 0 HA ASN A 19 7.671 4.210 0.127 1.00 72.14 H new ATOM 0 HB2 ASN A 19 8.010 6.468 0.622 1.00 43.33 H new ATOM 0 HB3 ASN A 19 8.963 5.675 1.862 1.00 43.33 H new ATOM 0 HD21 ASN A 19 12.137 6.743 0.628 1.00 73.15 H new ATOM 0 HD22 ASN A 19 11.293 5.549 1.620 1.00 73.15 H new ATOM 268 N VAL A 20 10.225 4.067 -1.779 1.00 51.55 N ATOM 269 CA VAL A 20 10.699 4.131 -3.157 1.00 34.31 C ATOM 270 C VAL A 20 10.716 2.747 -3.796 1.00 63.30 C ATOM 271 O VAL A 20 10.513 1.737 -3.122 1.00 20.43 O ATOM 272 CB VAL A 20 12.111 4.739 -3.237 1.00 42.33 C ATOM 273 CG1 VAL A 20 12.086 6.204 -2.827 1.00 20.33 C ATOM 274 CG2 VAL A 20 13.081 3.951 -2.370 1.00 71.53 C ATOM 0 H VAL A 20 10.828 3.538 -1.149 1.00 51.55 H new ATOM 0 HA VAL A 20 10.005 4.771 -3.702 1.00 34.31 H new ATOM 0 HB VAL A 20 12.454 4.681 -4.270 1.00 42.33 H new ATOM 0 HG11 VAL A 20 13.093 6.617 -2.890 1.00 20.33 H new ATOM 0 HG12 VAL A 20 11.425 6.757 -3.494 1.00 20.33 H new ATOM 0 HG13 VAL A 20 11.722 6.289 -1.803 1.00 20.33 H new ATOM 0 HG21 VAL A 20 14.074 4.395 -2.439 1.00 71.53 H new ATOM 0 HG22 VAL A 20 12.744 3.974 -1.334 1.00 71.53 H new ATOM 0 HG23 VAL A 20 13.121 2.918 -2.715 1.00 71.53 H new ATOM 284 N CYS A 21 10.961 2.707 -5.101 1.00 63.04 N ATOM 285 CA CYS A 21 11.006 1.447 -5.834 1.00 1.14 C ATOM 286 C CYS A 21 11.866 1.577 -7.088 1.00 20.15 C ATOM 287 O CYS A 21 11.848 2.606 -7.762 1.00 51.52 O ATOM 288 CB CYS A 21 9.592 1.004 -6.215 1.00 42.32 C ATOM 289 SG CYS A 21 8.574 2.323 -6.952 1.00 34.30 S ATOM 0 H CYS A 21 11.132 3.534 -5.674 1.00 63.04 H new ATOM 0 HA CYS A 21 11.453 0.694 -5.185 1.00 1.14 H new ATOM 0 HB2 CYS A 21 9.660 0.175 -6.920 1.00 42.32 H new ATOM 0 HB3 CYS A 21 9.089 0.626 -5.325 1.00 42.32 H new ATOM 294 N VAL A 22 12.619 0.525 -7.394 1.00 33.13 N ATOM 295 CA VAL A 22 13.485 0.520 -8.567 1.00 34.23 C ATOM 296 C VAL A 22 13.366 -0.794 -9.331 1.00 44.34 C ATOM 297 O VAL A 22 13.308 -1.869 -8.734 1.00 64.23 O ATOM 298 CB VAL A 22 14.958 0.744 -8.178 1.00 20.13 C ATOM 299 CG1 VAL A 22 15.884 0.154 -9.230 1.00 61.51 C ATOM 300 CG2 VAL A 22 15.237 2.226 -7.981 1.00 42.32 C ATOM 0 H VAL A 22 12.647 -0.335 -6.846 1.00 33.13 H new ATOM 0 HA VAL A 22 13.158 1.340 -9.206 1.00 34.23 H new ATOM 0 HB VAL A 22 15.148 0.233 -7.234 1.00 20.13 H new ATOM 0 HG11 VAL A 22 16.921 0.322 -8.938 1.00 61.51 H new ATOM 0 HG12 VAL A 22 15.701 -0.917 -9.317 1.00 61.51 H new ATOM 0 HG13 VAL A 22 15.696 0.633 -10.191 1.00 61.51 H new ATOM 0 HG21 VAL A 22 16.283 2.366 -7.706 1.00 42.32 H new ATOM 0 HG22 VAL A 22 15.030 2.761 -8.908 1.00 42.32 H new ATOM 0 HG23 VAL A 22 14.598 2.614 -7.187 1.00 42.32 H new ATOM 310 N HIS A 23 13.332 -0.700 -10.657 1.00 13.51 N ATOM 311 CA HIS A 23 13.221 -1.881 -11.505 1.00 25.33 C ATOM 312 C HIS A 23 14.365 -1.935 -12.514 1.00 12.34 C ATOM 313 O HIS A 23 14.485 -1.065 -13.377 1.00 4.24 O ATOM 314 CB HIS A 23 11.879 -1.886 -12.237 1.00 22.32 C ATOM 315 CG HIS A 23 11.779 -2.939 -13.297 1.00 63.24 C ATOM 316 ND1 HIS A 23 10.954 -2.825 -14.396 1.00 12.11 N ATOM 317 CD2 HIS A 23 12.409 -4.131 -13.424 1.00 13.21 C ATOM 318 CE1 HIS A 23 11.078 -3.901 -15.151 1.00 63.44 C ATOM 319 NE2 HIS A 23 11.956 -4.709 -14.584 1.00 33.41 N ATOM 0 H HIS A 23 13.380 0.182 -11.167 1.00 13.51 H new ATOM 0 HA HIS A 23 13.281 -2.763 -10.867 1.00 25.33 H new ATOM 0 HB2 HIS A 23 11.079 -2.035 -11.512 1.00 22.32 H new ATOM 0 HB3 HIS A 23 11.719 -0.908 -12.691 1.00 22.32 H new ATOM 0 HD2 HIS A 23 13.133 -4.549 -12.740 1.00 13.21 H new ATOM 0 HE1 HIS A 23 10.551 -4.089 -16.075 1.00 63.44 H new ATOM 0 HE2 HIS A 23 12.250 -5.615 -14.949 1.00 33.41 H new ATOM 327 N TYR A 24 15.201 -2.960 -12.398 1.00 44.13 N ATOM 328 CA TYR A 24 16.337 -3.125 -13.298 1.00 51.21 C ATOM 329 C TYR A 24 16.047 -4.190 -14.351 1.00 41.34 C ATOM 330 O TYR A 24 15.875 -5.366 -14.032 1.00 22.23 O ATOM 331 CB TYR A 24 17.591 -3.502 -12.507 1.00 53.31 C ATOM 332 CG TYR A 24 18.860 -3.459 -13.328 1.00 11.43 C ATOM 333 CD1 TYR A 24 19.125 -4.429 -14.286 1.00 35.11 C ATOM 334 CD2 TYR A 24 19.794 -2.446 -13.145 1.00 63.42 C ATOM 335 CE1 TYR A 24 20.283 -4.394 -15.037 1.00 43.02 C ATOM 336 CE2 TYR A 24 20.955 -2.402 -13.893 1.00 21.51 C ATOM 337 CZ TYR A 24 21.195 -3.379 -14.837 1.00 42.32 C ATOM 338 OH TYR A 24 22.350 -3.339 -15.585 1.00 20.44 O ATOM 0 H TYR A 24 15.114 -3.689 -11.690 1.00 44.13 H new ATOM 0 HA TYR A 24 16.507 -2.175 -13.805 1.00 51.21 H new ATOM 0 HB2 TYR A 24 17.693 -2.824 -11.660 1.00 53.31 H new ATOM 0 HB3 TYR A 24 17.466 -4.505 -12.100 1.00 53.31 H new ATOM 0 HD1 TYR A 24 18.413 -5.225 -14.446 1.00 35.11 H new ATOM 0 HD2 TYR A 24 19.609 -1.681 -12.406 1.00 63.42 H new ATOM 0 HE1 TYR A 24 20.474 -5.157 -15.777 1.00 43.02 H new ATOM 0 HE2 TYR A 24 21.670 -1.608 -13.740 1.00 21.51 H new ATOM 0 HH TYR A 24 22.884 -2.561 -15.321 1.00 20.44 H new ATOM 348 N LYS A 25 15.995 -3.768 -15.610 1.00 60.34 N ATOM 349 CA LYS A 25 15.728 -4.684 -16.714 1.00 4.53 C ATOM 350 C LYS A 25 16.807 -4.572 -17.786 1.00 41.43 C ATOM 351 O LYS A 25 16.960 -3.527 -18.420 1.00 32.41 O ATOM 352 CB LYS A 25 14.355 -4.393 -17.324 1.00 23.00 C ATOM 353 CG LYS A 25 13.767 -5.568 -18.085 1.00 62.25 C ATOM 354 CD LYS A 25 12.419 -5.220 -18.693 1.00 73.32 C ATOM 355 CE LYS A 25 12.575 -4.541 -20.045 1.00 2.31 C ATOM 356 NZ LYS A 25 12.713 -3.064 -19.911 1.00 20.13 N ATOM 0 H LYS A 25 16.134 -2.798 -15.892 1.00 60.34 H new ATOM 0 HA LYS A 25 15.736 -5.701 -16.321 1.00 4.53 H new ATOM 0 HB2 LYS A 25 13.667 -4.105 -16.529 1.00 23.00 H new ATOM 0 HB3 LYS A 25 14.439 -3.540 -17.997 1.00 23.00 H new ATOM 0 HG2 LYS A 25 14.455 -5.873 -18.874 1.00 62.25 H new ATOM 0 HG3 LYS A 25 13.655 -6.419 -17.413 1.00 62.25 H new ATOM 0 HD2 LYS A 25 11.825 -6.127 -18.807 1.00 73.32 H new ATOM 0 HD3 LYS A 25 11.872 -4.564 -18.016 1.00 73.32 H new ATOM 0 HE2 LYS A 25 13.451 -4.943 -20.554 1.00 2.31 H new ATOM 0 HE3 LYS A 25 11.711 -4.770 -20.668 1.00 2.31 H new ATOM 0 HZ1 LYS A 25 12.011 -2.593 -20.517 1.00 20.13 H new ATOM 0 HZ2 LYS A 25 12.555 -2.789 -18.920 1.00 20.13 H new ATOM 0 HZ3 LYS A 25 13.669 -2.777 -20.202 1.00 20.13 H new ATOM 370 N SER A 26 17.552 -5.654 -17.985 1.00 71.45 N ATOM 371 CA SER A 26 18.618 -5.677 -18.980 1.00 51.42 C ATOM 372 C SER A 26 18.570 -6.963 -19.799 1.00 41.12 C ATOM 373 O SER A 26 17.972 -7.954 -19.382 1.00 73.05 O ATOM 374 CB SER A 26 19.982 -5.542 -18.300 1.00 73.10 C ATOM 375 OG SER A 26 20.233 -4.200 -17.922 1.00 50.42 O ATOM 0 H SER A 26 17.437 -6.527 -17.470 1.00 71.45 H new ATOM 0 HA SER A 26 18.471 -4.833 -19.654 1.00 51.42 H new ATOM 0 HB2 SER A 26 20.018 -6.184 -17.420 1.00 73.10 H new ATOM 0 HB3 SER A 26 20.765 -5.885 -18.977 1.00 73.10 H new ATOM 0 HG SER A 26 19.903 -4.049 -17.012 1.00 50.42 H new ATOM 381 N GLU A 27 19.205 -6.938 -20.967 1.00 2.42 N ATOM 382 CA GLU A 27 19.234 -8.101 -21.845 1.00 63.21 C ATOM 383 C GLU A 27 20.196 -9.160 -21.313 1.00 71.24 C ATOM 384 O GLU A 27 20.172 -10.311 -21.750 1.00 42.13 O ATOM 385 CB GLU A 27 19.644 -7.689 -23.261 1.00 30.34 C ATOM 386 CG GLU A 27 18.912 -6.460 -23.773 1.00 30.23 C ATOM 387 CD GLU A 27 19.182 -6.189 -25.240 1.00 62.50 C ATOM 388 OE1 GLU A 27 20.368 -6.067 -25.611 1.00 43.53 O ATOM 389 OE2 GLU A 27 18.209 -6.100 -26.017 1.00 35.24 O ATOM 0 H GLU A 27 19.706 -6.125 -21.326 1.00 2.42 H new ATOM 0 HA GLU A 27 18.231 -8.527 -21.875 1.00 63.21 H new ATOM 0 HB2 GLU A 27 20.717 -7.496 -23.278 1.00 30.34 H new ATOM 0 HB3 GLU A 27 19.459 -8.521 -23.940 1.00 30.34 H new ATOM 0 HG2 GLU A 27 17.840 -6.591 -23.623 1.00 30.23 H new ATOM 0 HG3 GLU A 27 19.212 -5.592 -23.186 1.00 30.23 H new ATOM 396 N ASP A 28 21.041 -8.762 -20.369 1.00 31.43 N ATOM 397 CA ASP A 28 22.011 -9.676 -19.776 1.00 72.23 C ATOM 398 C ASP A 28 21.555 -10.130 -18.393 1.00 22.20 C ATOM 399 O ASP A 28 21.946 -11.197 -17.920 1.00 53.11 O ATOM 400 CB ASP A 28 23.382 -9.006 -19.681 1.00 24.32 C ATOM 401 CG ASP A 28 24.520 -9.977 -19.933 1.00 55.21 C ATOM 402 OD1 ASP A 28 24.810 -10.796 -19.036 1.00 41.44 O ATOM 403 OD2 ASP A 28 25.119 -9.917 -21.027 1.00 44.11 O ATOM 0 H ASP A 28 21.074 -7.813 -19.998 1.00 31.43 H new ATOM 0 HA ASP A 28 22.088 -10.553 -20.419 1.00 72.23 H new ATOM 0 HB2 ASP A 28 23.436 -8.192 -20.404 1.00 24.32 H new ATOM 0 HB3 ASP A 28 23.499 -8.563 -18.692 1.00 24.32 H new ATOM 408 N GLU A 29 20.728 -9.312 -17.750 1.00 20.02 N ATOM 409 CA GLU A 29 20.221 -9.630 -16.420 1.00 5.42 C ATOM 410 C GLU A 29 18.958 -8.830 -16.114 1.00 20.43 C ATOM 411 O GLU A 29 18.638 -7.867 -16.809 1.00 12.24 O ATOM 412 CB GLU A 29 21.289 -9.343 -15.361 1.00 54.45 C ATOM 413 CG GLU A 29 21.531 -7.861 -15.128 1.00 23.01 C ATOM 414 CD GLU A 29 22.812 -7.593 -14.361 1.00 35.45 C ATOM 415 OE1 GLU A 29 22.868 -7.936 -13.161 1.00 74.01 O ATOM 416 OE2 GLU A 29 23.758 -7.041 -14.960 1.00 74.24 O ATOM 0 H GLU A 29 20.395 -8.425 -18.128 1.00 20.02 H new ATOM 0 HA GLU A 29 19.973 -10.691 -16.397 1.00 5.42 H new ATOM 0 HB2 GLU A 29 20.990 -9.806 -14.421 1.00 54.45 H new ATOM 0 HB3 GLU A 29 22.225 -9.812 -15.664 1.00 54.45 H new ATOM 0 HG2 GLU A 29 21.573 -7.348 -16.089 1.00 23.01 H new ATOM 0 HG3 GLU A 29 20.688 -7.441 -14.579 1.00 23.01 H new ATOM 423 N GLU A 30 18.245 -9.239 -15.069 1.00 32.31 N ATOM 424 CA GLU A 30 17.016 -8.562 -14.672 1.00 31.32 C ATOM 425 C GLU A 30 16.709 -8.812 -13.198 1.00 3.41 C ATOM 426 O GLU A 30 16.617 -9.958 -12.757 1.00 54.51 O ATOM 427 CB GLU A 30 15.845 -9.036 -15.535 1.00 34.21 C ATOM 428 CG GLU A 30 14.520 -8.385 -15.174 1.00 30.43 C ATOM 429 CD GLU A 30 13.369 -8.899 -16.016 1.00 53.24 C ATOM 430 OE1 GLU A 30 13.616 -9.309 -17.170 1.00 34.21 O ATOM 431 OE2 GLU A 30 12.222 -8.890 -15.523 1.00 74.23 O ATOM 0 H GLU A 30 18.497 -10.035 -14.483 1.00 32.31 H new ATOM 0 HA GLU A 30 17.157 -7.491 -14.820 1.00 31.32 H new ATOM 0 HB2 GLU A 30 16.069 -8.829 -16.581 1.00 34.21 H new ATOM 0 HB3 GLU A 30 15.747 -10.117 -15.438 1.00 34.21 H new ATOM 0 HG2 GLU A 30 14.305 -8.567 -14.121 1.00 30.43 H new ATOM 0 HG3 GLU A 30 14.604 -7.306 -15.300 1.00 30.43 H new ATOM 438 N TYR A 31 16.554 -7.731 -12.441 1.00 54.03 N ATOM 439 CA TYR A 31 16.261 -7.831 -11.017 1.00 34.35 C ATOM 440 C TYR A 31 15.574 -6.566 -10.511 1.00 60.02 C ATOM 441 O TYR A 31 15.613 -5.522 -11.162 1.00 55.31 O ATOM 442 CB TYR A 31 17.547 -8.077 -10.226 1.00 72.30 C ATOM 443 CG TYR A 31 18.532 -6.933 -10.301 1.00 12.43 C ATOM 444 CD1 TYR A 31 18.367 -5.797 -9.518 1.00 10.53 C ATOM 445 CD2 TYR A 31 19.626 -6.986 -11.154 1.00 65.35 C ATOM 446 CE1 TYR A 31 19.264 -4.748 -9.583 1.00 12.21 C ATOM 447 CE2 TYR A 31 20.529 -5.943 -11.225 1.00 61.12 C ATOM 448 CZ TYR A 31 20.343 -4.826 -10.438 1.00 5.03 C ATOM 449 OH TYR A 31 21.240 -3.784 -10.506 1.00 73.02 O ATOM 0 H TYR A 31 16.627 -6.775 -12.791 1.00 54.03 H new ATOM 0 HA TYR A 31 15.585 -8.673 -10.870 1.00 34.35 H new ATOM 0 HB2 TYR A 31 17.292 -8.258 -9.182 1.00 72.30 H new ATOM 0 HB3 TYR A 31 18.026 -8.982 -10.599 1.00 72.30 H new ATOM 0 HD1 TYR A 31 17.523 -5.733 -8.847 1.00 10.53 H new ATOM 0 HD2 TYR A 31 19.774 -7.858 -11.773 1.00 65.35 H new ATOM 0 HE1 TYR A 31 19.121 -3.872 -8.968 1.00 12.21 H new ATOM 0 HE2 TYR A 31 21.376 -6.002 -11.893 1.00 61.12 H new ATOM 0 HH TYR A 31 21.010 -3.203 -11.261 1.00 73.02 H new ATOM 459 N LYS A 32 14.946 -6.667 -9.345 1.00 32.52 N ATOM 460 CA LYS A 32 14.251 -5.533 -8.748 1.00 42.21 C ATOM 461 C LYS A 32 14.512 -5.463 -7.247 1.00 23.11 C ATOM 462 O LYS A 32 14.425 -6.470 -6.545 1.00 30.43 O ATOM 463 CB LYS A 32 12.747 -5.634 -9.011 1.00 11.13 C ATOM 464 CG LYS A 32 12.382 -5.582 -10.484 1.00 72.41 C ATOM 465 CD LYS A 32 11.042 -6.249 -10.750 1.00 44.44 C ATOM 466 CE LYS A 32 11.078 -7.084 -12.021 1.00 40.31 C ATOM 467 NZ LYS A 32 10.147 -6.557 -13.057 1.00 34.40 N ATOM 0 H LYS A 32 14.904 -7.524 -8.794 1.00 32.52 H new ATOM 0 HA LYS A 32 14.634 -4.622 -9.208 1.00 42.21 H new ATOM 0 HB2 LYS A 32 12.374 -6.566 -8.586 1.00 11.13 H new ATOM 0 HB3 LYS A 32 12.240 -4.821 -8.491 1.00 11.13 H new ATOM 0 HG2 LYS A 32 12.345 -4.544 -10.814 1.00 72.41 H new ATOM 0 HG3 LYS A 32 13.158 -6.075 -11.070 1.00 72.41 H new ATOM 0 HD2 LYS A 32 10.776 -6.883 -9.904 1.00 44.44 H new ATOM 0 HD3 LYS A 32 10.266 -5.488 -10.835 1.00 44.44 H new ATOM 0 HE2 LYS A 32 12.093 -7.098 -12.418 1.00 40.31 H new ATOM 0 HE3 LYS A 32 10.814 -8.115 -11.786 1.00 40.31 H new ATOM 0 HZ1 LYS A 32 9.690 -7.351 -13.549 1.00 34.40 H new ATOM 0 HZ2 LYS A 32 9.421 -5.967 -12.603 1.00 34.40 H new ATOM 0 HZ3 LYS A 32 10.679 -5.985 -13.743 1.00 34.40 H new ATOM 481 N SER A 33 14.832 -4.268 -6.761 1.00 53.22 N ATOM 482 CA SER A 33 15.108 -4.068 -5.343 1.00 54.34 C ATOM 483 C SER A 33 15.146 -2.581 -5.002 1.00 65.20 C ATOM 484 O SER A 33 15.591 -1.759 -5.804 1.00 73.32 O ATOM 485 CB SER A 33 16.436 -4.725 -4.963 1.00 12.21 C ATOM 486 OG SER A 33 16.260 -6.102 -4.678 1.00 45.23 O ATOM 0 H SER A 33 14.907 -3.424 -7.328 1.00 53.22 H new ATOM 0 HA SER A 33 14.305 -4.533 -4.772 1.00 54.34 H new ATOM 0 HB2 SER A 33 17.150 -4.607 -5.778 1.00 12.21 H new ATOM 0 HB3 SER A 33 16.859 -4.222 -4.094 1.00 12.21 H new ATOM 0 HG SER A 33 15.404 -6.405 -5.045 1.00 45.23 H new ATOM 492 N CYS A 34 14.678 -2.243 -3.805 1.00 52.05 N ATOM 493 CA CYS A 34 14.657 -0.856 -3.356 1.00 24.44 C ATOM 494 C CYS A 34 14.058 -0.747 -1.956 1.00 64.33 C ATOM 495 O CYS A 34 13.860 -1.752 -1.274 1.00 43.23 O ATOM 496 CB CYS A 34 13.858 0.007 -4.333 1.00 52.13 C ATOM 497 SG CYS A 34 14.642 1.603 -4.728 1.00 13.51 S ATOM 0 H CYS A 34 14.308 -2.911 -3.129 1.00 52.05 H new ATOM 0 HA CYS A 34 15.685 -0.496 -3.322 1.00 24.44 H new ATOM 0 HB2 CYS A 34 13.710 -0.552 -5.257 1.00 52.13 H new ATOM 0 HB3 CYS A 34 12.870 0.194 -3.912 1.00 52.13 H new ATOM 0 HG CYS A 34 15.827 1.648 -4.196 1.00 13.51 H new ATOM 502 N GLY A 35 13.772 0.481 -1.535 1.00 71.02 N ATOM 503 CA GLY A 35 13.199 0.699 -0.220 1.00 54.41 C ATOM 504 C GLY A 35 13.153 2.167 0.156 1.00 1.02 C ATOM 505 O GLY A 35 12.101 2.802 0.079 1.00 33.24 O ATOM 0 H GLY A 35 13.927 1.329 -2.081 1.00 71.02 H new ATOM 0 HA2 GLY A 35 12.190 0.289 -0.194 1.00 54.41 H new ATOM 0 HA3 GLY A 35 13.783 0.155 0.522 1.00 54.41 H new ATOM 509 N ILE A 36 14.296 2.707 0.565 1.00 21.03 N ATOM 510 CA ILE A 36 14.382 4.109 0.955 1.00 33.24 C ATOM 511 C ILE A 36 15.166 4.918 -0.072 1.00 1.34 C ATOM 512 O ILE A 36 16.177 4.456 -0.599 1.00 62.21 O ATOM 513 CB ILE A 36 15.046 4.270 2.335 1.00 24.54 C ATOM 514 CG1 ILE A 36 16.226 3.305 2.473 1.00 45.43 C ATOM 515 CG2 ILE A 36 14.031 4.033 3.443 1.00 13.42 C ATOM 516 CD1 ILE A 36 17.002 3.479 3.760 1.00 71.11 C ATOM 0 H ILE A 36 15.175 2.195 0.635 1.00 21.03 H new ATOM 0 HA ILE A 36 13.360 4.485 1.007 1.00 33.24 H new ATOM 0 HB ILE A 36 15.421 5.290 2.424 1.00 24.54 H new ATOM 0 HG12 ILE A 36 15.856 2.281 2.417 1.00 45.43 H new ATOM 0 HG13 ILE A 36 16.901 3.447 1.629 1.00 45.43 H new ATOM 0 HG21 ILE A 36 14.516 4.150 4.412 1.00 13.42 H new ATOM 0 HG22 ILE A 36 13.219 4.755 3.354 1.00 13.42 H new ATOM 0 HG23 ILE A 36 13.629 3.023 3.358 1.00 13.42 H new ATOM 0 HD11 ILE A 36 17.823 2.763 3.790 1.00 71.11 H new ATOM 0 HD12 ILE A 36 17.402 4.492 3.810 1.00 71.11 H new ATOM 0 HD13 ILE A 36 16.341 3.308 4.610 1.00 71.11 H new ATOM 528 N GLN A 37 14.693 6.129 -0.349 1.00 4.23 N ATOM 529 CA GLN A 37 15.352 7.004 -1.312 1.00 33.31 C ATOM 530 C GLN A 37 16.837 7.142 -0.995 1.00 41.20 C ATOM 531 O GLN A 37 17.646 7.424 -1.879 1.00 14.54 O ATOM 532 CB GLN A 37 14.689 8.382 -1.318 1.00 14.25 C ATOM 533 CG GLN A 37 15.109 9.255 -2.489 1.00 73.44 C ATOM 534 CD GLN A 37 14.037 9.353 -3.557 1.00 41.22 C ATOM 535 OE1 GLN A 37 13.422 10.404 -3.741 1.00 10.04 O ATOM 536 NE2 GLN A 37 13.808 8.256 -4.269 1.00 52.12 N ATOM 0 H GLN A 37 13.857 6.526 0.079 1.00 4.23 H new ATOM 0 HA GLN A 37 15.251 6.556 -2.300 1.00 33.31 H new ATOM 0 HB2 GLN A 37 13.607 8.255 -1.340 1.00 14.25 H new ATOM 0 HB3 GLN A 37 14.930 8.896 -0.388 1.00 14.25 H new ATOM 0 HG2 GLN A 37 15.347 10.255 -2.125 1.00 73.44 H new ATOM 0 HG3 GLN A 37 16.020 8.851 -2.930 1.00 73.44 H new ATOM 0 HE21 GLN A 37 14.341 7.407 -4.083 1.00 52.12 H new ATOM 0 HE22 GLN A 37 13.099 8.263 -5.002 1.00 52.12 H new ATOM 545 N GLU A 38 17.188 6.942 0.271 1.00 22.04 N ATOM 546 CA GLU A 38 18.577 7.046 0.704 1.00 51.10 C ATOM 547 C GLU A 38 19.407 5.890 0.152 1.00 13.52 C ATOM 548 O GLU A 38 20.556 6.074 -0.246 1.00 63.04 O ATOM 549 CB GLU A 38 18.658 7.063 2.232 1.00 44.12 C ATOM 550 CG GLU A 38 18.593 8.459 2.829 1.00 21.44 C ATOM 551 CD GLU A 38 19.052 8.497 4.274 1.00 34.53 C ATOM 552 OE1 GLU A 38 19.535 7.458 4.772 1.00 75.04 O ATOM 553 OE2 GLU A 38 18.927 9.566 4.908 1.00 64.15 O ATOM 0 H GLU A 38 16.531 6.707 1.015 1.00 22.04 H new ATOM 0 HA GLU A 38 18.983 7.980 0.316 1.00 51.10 H new ATOM 0 HB2 GLU A 38 17.842 6.465 2.637 1.00 44.12 H new ATOM 0 HB3 GLU A 38 19.587 6.587 2.544 1.00 44.12 H new ATOM 0 HG2 GLU A 38 19.213 9.133 2.237 1.00 21.44 H new ATOM 0 HG3 GLU A 38 17.570 8.830 2.767 1.00 21.44 H new ATOM 560 N GLU A 39 18.815 4.700 0.134 1.00 54.43 N ATOM 561 CA GLU A 39 19.500 3.515 -0.368 1.00 33.24 C ATOM 562 C GLU A 39 19.343 3.395 -1.881 1.00 21.12 C ATOM 563 O GLU A 39 20.218 2.866 -2.567 1.00 60.20 O ATOM 564 CB GLU A 39 18.955 2.258 0.314 1.00 62.43 C ATOM 565 CG GLU A 39 17.796 1.616 -0.430 1.00 61.20 C ATOM 566 CD GLU A 39 17.190 0.451 0.328 1.00 61.30 C ATOM 567 OE1 GLU A 39 17.536 0.269 1.514 1.00 43.21 O ATOM 568 OE2 GLU A 39 16.369 -0.280 -0.266 1.00 11.45 O ATOM 0 H GLU A 39 17.864 4.531 0.461 1.00 54.43 H new ATOM 0 HA GLU A 39 20.561 3.615 -0.138 1.00 33.24 H new ATOM 0 HB2 GLU A 39 19.760 1.530 0.413 1.00 62.43 H new ATOM 0 HB3 GLU A 39 18.631 2.514 1.323 1.00 62.43 H new ATOM 0 HG2 GLU A 39 17.026 2.366 -0.612 1.00 61.20 H new ATOM 0 HG3 GLU A 39 18.141 1.270 -1.404 1.00 61.20 H new ATOM 575 N CYS A 40 18.222 3.889 -2.395 1.00 11.44 N ATOM 576 CA CYS A 40 17.948 3.838 -3.826 1.00 30.15 C ATOM 577 C CYS A 40 18.784 4.870 -4.577 1.00 15.42 C ATOM 578 O CYS A 40 19.255 4.614 -5.684 1.00 4.11 O ATOM 579 CB CYS A 40 16.461 4.079 -4.090 1.00 75.14 C ATOM 580 SG CYS A 40 15.549 2.593 -4.621 1.00 4.34 S ATOM 0 H CYS A 40 17.488 4.330 -1.841 1.00 11.44 H new ATOM 0 HA CYS A 40 18.218 2.846 -4.188 1.00 30.15 H new ATOM 0 HB2 CYS A 40 16.001 4.470 -3.183 1.00 75.14 H new ATOM 0 HB3 CYS A 40 16.359 4.848 -4.856 1.00 75.14 H new ATOM 0 HG CYS A 40 14.931 2.076 -3.601 1.00 4.34 H new ATOM 585 N GLU A 41 18.961 6.038 -3.966 1.00 25.52 N ATOM 586 CA GLU A 41 19.739 7.108 -4.577 1.00 45.45 C ATOM 587 C GLU A 41 21.220 6.741 -4.635 1.00 15.32 C ATOM 588 O GLU A 41 22.009 7.405 -5.307 1.00 60.22 O ATOM 589 CB GLU A 41 19.556 8.412 -3.797 1.00 71.14 C ATOM 590 CG GLU A 41 20.181 9.620 -4.475 1.00 21.22 C ATOM 591 CD GLU A 41 19.458 10.912 -4.146 1.00 65.23 C ATOM 592 OE1 GLU A 41 18.376 11.148 -4.722 1.00 52.23 O ATOM 593 OE2 GLU A 41 19.975 11.686 -3.314 1.00 42.32 O ATOM 0 H GLU A 41 18.576 6.266 -3.049 1.00 25.52 H new ATOM 0 HA GLU A 41 19.377 7.248 -5.596 1.00 45.45 H new ATOM 0 HB2 GLU A 41 18.491 8.595 -3.657 1.00 71.14 H new ATOM 0 HB3 GLU A 41 19.993 8.296 -2.805 1.00 71.14 H new ATOM 0 HG2 GLU A 41 21.224 9.704 -4.170 1.00 21.22 H new ATOM 0 HG3 GLU A 41 20.175 9.470 -5.555 1.00 21.22 H new ATOM 600 N ASP A 42 21.588 5.681 -3.925 1.00 33.25 N ATOM 601 CA ASP A 42 22.972 5.224 -3.894 1.00 43.11 C ATOM 602 C ASP A 42 23.522 5.062 -5.308 1.00 21.42 C ATOM 603 O ASP A 42 24.713 5.256 -5.547 1.00 43.43 O ATOM 604 CB ASP A 42 23.078 3.899 -3.137 1.00 3.40 C ATOM 605 CG ASP A 42 24.419 3.731 -2.450 1.00 1.13 C ATOM 606 OD1 ASP A 42 25.456 3.877 -3.130 1.00 22.44 O ATOM 607 OD2 ASP A 42 24.431 3.453 -1.232 1.00 63.11 O ATOM 0 H ASP A 42 20.947 5.122 -3.363 1.00 33.25 H new ATOM 0 HA ASP A 42 23.566 5.977 -3.376 1.00 43.11 H new ATOM 0 HB2 ASP A 42 22.283 3.844 -2.394 1.00 3.40 H new ATOM 0 HB3 ASP A 42 22.923 3.073 -3.832 1.00 3.40 H new ATOM 612 N ALA A 43 22.646 4.703 -6.240 1.00 71.43 N ATOM 613 CA ALA A 43 23.043 4.515 -7.630 1.00 63.31 C ATOM 614 C ALA A 43 23.444 5.839 -8.270 1.00 41.43 C ATOM 615 O ALA A 43 22.601 6.703 -8.510 1.00 10.01 O ATOM 616 CB ALA A 43 21.916 3.865 -8.418 1.00 55.23 C ATOM 0 H ALA A 43 21.656 4.536 -6.058 1.00 71.43 H new ATOM 0 HA ALA A 43 23.911 3.855 -7.648 1.00 63.31 H new ATOM 0 HB1 ALA A 43 22.227 3.731 -9.454 1.00 55.23 H new ATOM 0 HB2 ALA A 43 21.679 2.895 -7.982 1.00 55.23 H new ATOM 0 HB3 ALA A 43 21.033 4.503 -8.384 1.00 55.23 H new ATOM 622 N GLU A 44 24.736 5.992 -8.544 1.00 0.31 N ATOM 623 CA GLU A 44 25.247 7.214 -9.155 1.00 64.50 C ATOM 624 C GLU A 44 25.061 7.183 -10.669 1.00 51.43 C ATOM 625 O GLU A 44 25.424 6.212 -11.331 1.00 50.12 O ATOM 626 CB GLU A 44 26.728 7.399 -8.816 1.00 70.41 C ATOM 627 CG GLU A 44 27.210 8.833 -8.958 1.00 22.54 C ATOM 628 CD GLU A 44 28.702 8.972 -8.724 1.00 11.11 C ATOM 629 OE1 GLU A 44 29.122 8.970 -7.548 1.00 14.20 O ATOM 630 OE2 GLU A 44 29.450 9.083 -9.718 1.00 74.02 O ATOM 0 H GLU A 44 25.447 5.286 -8.353 1.00 0.31 H new ATOM 0 HA GLU A 44 24.682 8.055 -8.753 1.00 64.50 H new ATOM 0 HB2 GLU A 44 26.902 7.066 -7.793 1.00 70.41 H new ATOM 0 HB3 GLU A 44 27.324 6.758 -9.466 1.00 70.41 H new ATOM 0 HG2 GLU A 44 26.967 9.197 -9.956 1.00 22.54 H new ATOM 0 HG3 GLU A 44 26.674 9.464 -8.249 1.00 22.54 H new ATOM 637 N GLY A 45 24.491 8.256 -11.211 1.00 61.31 N ATOM 638 CA GLY A 45 24.265 8.332 -12.643 1.00 2.34 C ATOM 639 C GLY A 45 22.814 8.102 -13.014 1.00 33.24 C ATOM 640 O GLY A 45 22.186 8.950 -13.646 1.00 54.02 O ATOM 0 H GLY A 45 24.182 9.073 -10.684 1.00 61.31 H new ATOM 0 HA2 GLY A 45 24.579 9.311 -13.006 1.00 2.34 H new ATOM 0 HA3 GLY A 45 24.887 7.591 -13.146 1.00 2.34 H new ATOM 644 N ALA A 46 22.280 6.950 -12.621 1.00 31.23 N ATOM 645 CA ALA A 46 20.893 6.610 -12.916 1.00 4.44 C ATOM 646 C ALA A 46 19.937 7.355 -11.990 1.00 21.42 C ATOM 647 O ALA A 46 20.325 7.805 -10.911 1.00 34.21 O ATOM 648 CB ALA A 46 20.682 5.108 -12.799 1.00 55.23 C ATOM 0 H ALA A 46 22.787 6.236 -12.097 1.00 31.23 H new ATOM 0 HA ALA A 46 20.679 6.917 -13.940 1.00 4.44 H new ATOM 0 HB1 ALA A 46 19.642 4.868 -13.022 1.00 55.23 H new ATOM 0 HB2 ALA A 46 21.333 4.593 -13.506 1.00 55.23 H new ATOM 0 HB3 ALA A 46 20.920 4.785 -11.785 1.00 55.23 H new ATOM 654 N THR A 47 18.685 7.482 -12.418 1.00 31.10 N ATOM 655 CA THR A 47 17.674 8.173 -11.628 1.00 53.34 C ATOM 656 C THR A 47 16.642 7.195 -11.079 1.00 54.20 C ATOM 657 O THR A 47 16.236 6.255 -11.763 1.00 41.52 O ATOM 658 CB THR A 47 16.952 9.251 -12.460 1.00 32.35 C ATOM 659 OG1 THR A 47 16.110 10.041 -11.612 1.00 60.43 O ATOM 660 CG2 THR A 47 16.118 8.615 -13.562 1.00 14.34 C ATOM 0 H THR A 47 18.347 7.115 -13.308 1.00 31.10 H new ATOM 0 HA THR A 47 18.194 8.652 -10.798 1.00 53.34 H new ATOM 0 HB THR A 47 17.706 9.890 -12.920 1.00 32.35 H new ATOM 0 HG1 THR A 47 15.656 10.725 -12.147 1.00 60.43 H new ATOM 0 HG21 THR A 47 15.618 9.395 -14.136 1.00 14.34 H new ATOM 0 HG22 THR A 47 16.766 8.038 -14.222 1.00 14.34 H new ATOM 0 HG23 THR A 47 15.372 7.956 -13.119 1.00 14.34 H new ATOM 668 N VAL A 48 16.219 7.422 -9.839 1.00 50.33 N ATOM 669 CA VAL A 48 15.232 6.562 -9.198 1.00 71.34 C ATOM 670 C VAL A 48 13.857 7.219 -9.183 1.00 55.25 C ATOM 671 O VAL A 48 13.674 8.289 -8.600 1.00 73.33 O ATOM 672 CB VAL A 48 15.640 6.218 -7.754 1.00 4.45 C ATOM 673 CG1 VAL A 48 15.915 7.487 -6.960 1.00 60.14 C ATOM 674 CG2 VAL A 48 14.563 5.382 -7.080 1.00 61.53 C ATOM 0 H VAL A 48 16.545 8.195 -9.259 1.00 50.33 H new ATOM 0 HA VAL A 48 15.186 5.643 -9.783 1.00 71.34 H new ATOM 0 HB VAL A 48 16.558 5.630 -7.785 1.00 4.45 H new ATOM 0 HG11 VAL A 48 16.202 7.224 -5.942 1.00 60.14 H new ATOM 0 HG12 VAL A 48 16.724 8.044 -7.433 1.00 60.14 H new ATOM 0 HG13 VAL A 48 15.016 8.103 -6.936 1.00 60.14 H new ATOM 0 HG21 VAL A 48 14.869 5.148 -6.060 1.00 61.53 H new ATOM 0 HG22 VAL A 48 13.628 5.942 -7.059 1.00 61.53 H new ATOM 0 HG23 VAL A 48 14.419 4.456 -7.637 1.00 61.53 H new ATOM 684 N LEU A 49 12.891 6.573 -9.828 1.00 2.21 N ATOM 685 CA LEU A 49 11.530 7.095 -9.889 1.00 21.42 C ATOM 686 C LEU A 49 10.522 6.039 -9.446 1.00 62.33 C ATOM 687 O LEU A 49 10.582 4.888 -9.880 1.00 32.33 O ATOM 688 CB LEU A 49 11.205 7.563 -11.308 1.00 63.34 C ATOM 689 CG LEU A 49 10.157 8.670 -11.427 1.00 22.22 C ATOM 690 CD1 LEU A 49 10.821 10.038 -11.401 1.00 72.00 C ATOM 691 CD2 LEU A 49 9.339 8.496 -12.698 1.00 31.21 C ATOM 0 H LEU A 49 13.025 5.687 -10.316 1.00 2.21 H new ATOM 0 HA LEU A 49 11.462 7.944 -9.209 1.00 21.42 H new ATOM 0 HB2 LEU A 49 12.127 7.911 -11.774 1.00 63.34 H new ATOM 0 HB3 LEU A 49 10.862 6.703 -11.883 1.00 63.34 H new ATOM 0 HG LEU A 49 9.483 8.599 -10.573 1.00 22.22 H new ATOM 0 HD11 LEU A 49 10.060 10.814 -11.487 1.00 72.00 H new ATOM 0 HD12 LEU A 49 11.362 10.162 -10.463 1.00 72.00 H new ATOM 0 HD13 LEU A 49 11.518 10.120 -12.235 1.00 72.00 H new ATOM 0 HD21 LEU A 49 8.598 9.293 -12.766 1.00 31.21 H new ATOM 0 HD22 LEU A 49 9.999 8.539 -13.564 1.00 31.21 H new ATOM 0 HD23 LEU A 49 8.833 7.531 -12.676 1.00 31.21 H new ATOM 703 N CYS A 50 9.595 6.438 -8.582 1.00 43.50 N ATOM 704 CA CYS A 50 8.572 5.528 -8.081 1.00 45.24 C ATOM 705 C CYS A 50 7.175 6.081 -8.347 1.00 2.44 C ATOM 706 O CYS A 50 6.967 7.295 -8.356 1.00 44.15 O ATOM 707 CB CYS A 50 8.762 5.289 -6.582 1.00 43.22 C ATOM 708 SG CYS A 50 8.032 3.733 -5.979 1.00 64.11 S ATOM 0 H CYS A 50 9.531 7.387 -8.214 1.00 43.50 H new ATOM 0 HA CYS A 50 8.674 4.580 -8.609 1.00 45.24 H new ATOM 0 HB2 CYS A 50 9.829 5.289 -6.357 1.00 43.22 H new ATOM 0 HB3 CYS A 50 8.321 6.121 -6.033 1.00 43.22 H new ATOM 713 N CYS A 51 6.220 5.183 -8.561 1.00 21.20 N ATOM 714 CA CYS A 51 4.842 5.579 -8.826 1.00 64.14 C ATOM 715 C CYS A 51 3.987 5.449 -7.569 1.00 43.22 C ATOM 716 O CYS A 51 4.246 4.622 -6.695 1.00 4.44 O ATOM 717 CB CYS A 51 4.251 4.724 -9.949 1.00 62.11 C ATOM 718 SG CYS A 51 5.443 4.282 -11.253 1.00 65.35 S ATOM 0 H CYS A 51 6.375 4.175 -8.556 1.00 21.20 H new ATOM 0 HA CYS A 51 4.844 6.624 -9.136 1.00 64.14 H new ATOM 0 HB2 CYS A 51 3.844 3.809 -9.519 1.00 62.11 H new ATOM 0 HB3 CYS A 51 3.418 5.262 -10.401 1.00 62.11 H new ATOM 723 N PRO A 52 2.943 6.285 -7.476 1.00 14.34 N ATOM 724 CA PRO A 52 2.027 6.283 -6.330 1.00 44.44 C ATOM 725 C PRO A 52 1.156 5.033 -6.287 1.00 32.10 C ATOM 726 O PRO A 52 0.444 4.796 -5.312 1.00 23.44 O ATOM 727 CB PRO A 52 1.166 7.528 -6.562 1.00 64.55 C ATOM 728 CG PRO A 52 1.212 7.750 -8.035 1.00 14.32 C ATOM 729 CD PRO A 52 2.574 7.296 -8.481 1.00 1.54 C ATOM 0 HA PRO A 52 2.562 6.289 -5.380 1.00 44.44 H new ATOM 0 HB2 PRO A 52 0.144 7.373 -6.217 1.00 64.55 H new ATOM 0 HB3 PRO A 52 1.559 8.388 -6.019 1.00 64.55 H new ATOM 0 HG2 PRO A 52 0.428 7.185 -8.539 1.00 14.32 H new ATOM 0 HG3 PRO A 52 1.053 8.801 -8.276 1.00 14.32 H new ATOM 0 HD2 PRO A 52 2.548 6.873 -9.485 1.00 1.54 H new ATOM 0 HD3 PRO A 52 3.286 8.121 -8.501 1.00 1.54 H new ATOM 737 N GLU A 53 1.217 4.237 -7.350 1.00 24.11 N ATOM 738 CA GLU A 53 0.433 3.011 -7.432 1.00 35.35 C ATOM 739 C GLU A 53 1.216 1.825 -6.876 1.00 64.13 C ATOM 740 O GLU A 53 2.347 1.977 -6.413 1.00 32.24 O ATOM 741 CB GLU A 53 0.027 2.734 -8.881 1.00 14.23 C ATOM 742 CG GLU A 53 -1.299 3.365 -9.272 1.00 41.34 C ATOM 743 CD GLU A 53 -1.160 4.352 -10.416 1.00 31.24 C ATOM 744 OE1 GLU A 53 -0.411 4.052 -11.369 1.00 2.50 O ATOM 745 OE2 GLU A 53 -1.800 5.422 -10.357 1.00 42.51 O ATOM 0 H GLU A 53 1.801 4.420 -8.166 1.00 24.11 H new ATOM 0 HA GLU A 53 -0.466 3.145 -6.830 1.00 35.35 H new ATOM 0 HB2 GLU A 53 0.807 3.106 -9.546 1.00 14.23 H new ATOM 0 HB3 GLU A 53 -0.034 1.656 -9.033 1.00 14.23 H new ATOM 0 HG2 GLU A 53 -2.001 2.581 -9.557 1.00 41.34 H new ATOM 0 HG3 GLU A 53 -1.724 3.874 -8.407 1.00 41.34 H new ATOM 752 N ASP A 54 0.608 0.645 -6.927 1.00 13.32 N ATOM 753 CA ASP A 54 1.248 -0.567 -6.430 1.00 34.22 C ATOM 754 C ASP A 54 1.890 -1.350 -7.571 1.00 53.31 C ATOM 755 O ASP A 54 1.356 -1.401 -8.680 1.00 45.43 O ATOM 756 CB ASP A 54 0.229 -1.446 -5.702 1.00 54.24 C ATOM 757 CG ASP A 54 -1.085 -1.550 -6.451 1.00 53.15 C ATOM 758 OD1 ASP A 54 -1.061 -1.928 -7.641 1.00 71.22 O ATOM 759 OD2 ASP A 54 -2.138 -1.252 -5.848 1.00 62.33 O ATOM 0 H ASP A 54 -0.327 0.502 -7.308 1.00 13.32 H new ATOM 0 HA ASP A 54 2.030 -0.274 -5.729 1.00 34.22 H new ATOM 0 HB2 ASP A 54 0.646 -2.444 -5.565 1.00 54.24 H new ATOM 0 HB3 ASP A 54 0.046 -1.038 -4.708 1.00 54.24 H new ATOM 764 N LEU A 55 3.038 -1.957 -7.292 1.00 74.44 N ATOM 765 CA LEU A 55 3.754 -2.737 -8.296 1.00 71.10 C ATOM 766 C LEU A 55 4.113 -1.874 -9.502 1.00 20.35 C ATOM 767 O LEU A 55 3.649 -2.120 -10.615 1.00 74.41 O ATOM 768 CB LEU A 55 2.908 -3.931 -8.743 1.00 14.44 C ATOM 769 CG LEU A 55 2.510 -4.919 -7.646 1.00 62.41 C ATOM 770 CD1 LEU A 55 1.699 -6.066 -8.229 1.00 51.25 C ATOM 771 CD2 LEU A 55 3.745 -5.447 -6.931 1.00 23.51 C ATOM 0 H LEU A 55 3.493 -1.924 -6.380 1.00 74.44 H new ATOM 0 HA LEU A 55 4.677 -3.102 -7.846 1.00 71.10 H new ATOM 0 HB2 LEU A 55 1.999 -3.552 -9.210 1.00 14.44 H new ATOM 0 HB3 LEU A 55 3.459 -4.474 -9.511 1.00 14.44 H new ATOM 0 HG LEU A 55 1.889 -4.395 -6.919 1.00 62.41 H new ATOM 0 HD11 LEU A 55 1.425 -6.759 -7.434 1.00 51.25 H new ATOM 0 HD12 LEU A 55 0.796 -5.673 -8.695 1.00 51.25 H new ATOM 0 HD13 LEU A 55 2.295 -6.590 -8.977 1.00 51.25 H new ATOM 0 HD21 LEU A 55 3.443 -6.149 -6.153 1.00 23.51 H new ATOM 0 HD22 LEU A 55 4.391 -5.955 -7.647 1.00 23.51 H new ATOM 0 HD23 LEU A 55 4.287 -4.616 -6.479 1.00 23.51 H new ATOM 783 N CYS A 56 4.944 -0.863 -9.272 1.00 64.44 N ATOM 784 CA CYS A 56 5.368 0.036 -10.339 1.00 23.51 C ATOM 785 C CYS A 56 6.766 -0.327 -10.833 1.00 33.50 C ATOM 786 O CYS A 56 7.161 0.045 -11.937 1.00 2.45 O ATOM 787 CB CYS A 56 5.349 1.485 -9.850 1.00 53.34 C ATOM 788 SG CYS A 56 5.870 2.700 -11.104 1.00 71.55 S ATOM 0 H CYS A 56 5.337 -0.646 -8.356 1.00 64.44 H new ATOM 0 HA CYS A 56 4.669 -0.070 -11.169 1.00 23.51 H new ATOM 0 HB2 CYS A 56 4.341 1.732 -9.517 1.00 53.34 H new ATOM 0 HB3 CYS A 56 6.002 1.573 -8.981 1.00 53.34 H new ATOM 793 N ASN A 57 7.508 -1.058 -10.007 1.00 41.31 N ATOM 794 CA ASN A 57 8.862 -1.471 -10.359 1.00 74.34 C ATOM 795 C ASN A 57 8.918 -2.971 -10.635 1.00 12.22 C ATOM 796 O ASN A 57 9.162 -3.396 -11.764 1.00 13.51 O ATOM 797 CB ASN A 57 9.836 -1.111 -9.236 1.00 50.33 C ATOM 798 CG ASN A 57 9.712 -2.039 -8.043 1.00 41.33 C ATOM 799 OD1 ASN A 57 8.667 -2.098 -7.395 1.00 5.25 O ATOM 800 ND2 ASN A 57 10.781 -2.769 -7.749 1.00 23.15 N ATOM 0 H ASN A 57 7.195 -1.376 -9.090 1.00 41.31 H new ATOM 0 HA ASN A 57 9.153 -0.941 -11.266 1.00 74.34 H new ATOM 0 HB2 ASN A 57 10.856 -1.149 -9.618 1.00 50.33 H new ATOM 0 HB3 ASN A 57 9.653 -0.085 -8.915 1.00 50.33 H new ATOM 0 HD21 ASN A 57 10.758 -3.412 -6.958 1.00 23.15 H new ATOM 0 HD22 ASN A 57 11.626 -2.687 -8.315 1.00 23.15 H new TER 807 ASN A 57