USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 408 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 28 LYS NZ :NH3+ 178:sc= -0.0128 (180deg=-0.0289) USER MOD Set 1.2: A 34 SER OG : rot 1:sc= 1.17 USER MOD Single : A 1 VAL N :NH3+ -112:sc= -0.186 (180deg=-0.322) USER MOD Single : A 5 TYR OH : rot 130:sc= 1.22 USER MOD Single : A 8 GLN : amide:sc= 1.03 K(o=1,f=-0.045) USER MOD Single : A 11 ASN : amide:sc= 2.19 K(o=2.2,f=-6.6!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 90:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 75:sc= 1.1 USER MOD Single : A 21 SER OG : rot 96:sc= 0.148 USER MOD Single : A 25 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 30 LYS NZ :NH3+ -117:sc= 0.185 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 71:sc= 0.819 USER MOD Single : A 36 HIS : no HE2:sc= 0.0395 K(o=0.04,f=-1.3) USER MOD Single : A 40 LYS NZ :NH3+ 147:sc= 0.0697 (180deg=-0.0678) USER MOD Single : A 43 HIS : no HD1:sc= -0.166 K(o=-0.17,f=-0.8) USER MOD Single : A 50 ASN : amide:sc= 0.931 K(o=0.93,f=-4!) USER MOD Single : A 55 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.420 11.953 6.025 1.00 0.00 N ATOM 2 CA VAL A 1 6.940 10.723 5.346 1.00 0.00 C ATOM 3 C VAL A 1 5.934 10.004 6.212 1.00 0.00 C ATOM 4 O VAL A 1 5.739 10.343 7.381 1.00 0.00 O ATOM 5 CB VAL A 1 8.103 9.788 4.981 1.00 0.00 C ATOM 6 CG1 VAL A 1 9.026 10.461 3.940 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.893 9.333 6.230 1.00 0.00 C ATOM 0 H1 VAL A 1 7.077 12.790 5.511 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.060 11.974 7.000 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.460 11.958 6.040 1.00 0.00 H new ATOM 0 HA VAL A 1 6.455 11.023 4.417 1.00 0.00 H new ATOM 0 HB VAL A 1 7.681 8.887 4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.846 9.787 3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.455 10.687 3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.429 11.385 4.355 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.706 8.674 5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.304 10.205 6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.227 8.799 6.907 1.00 0.00 H new ATOM 19 N ARG A 2 5.262 8.979 5.642 1.00 0.00 N ATOM 20 CA ARG A 2 4.328 8.135 6.343 1.00 0.00 C ATOM 21 C ARG A 2 4.858 6.738 6.211 1.00 0.00 C ATOM 22 O ARG A 2 5.771 6.496 5.418 1.00 0.00 O ATOM 23 CB ARG A 2 2.894 8.169 5.748 1.00 0.00 C ATOM 24 CG ARG A 2 2.323 9.595 5.622 1.00 0.00 C ATOM 25 CD ARG A 2 2.313 10.139 4.179 1.00 0.00 C ATOM 26 NE ARG A 2 0.987 9.869 3.511 1.00 0.00 N ATOM 27 CZ ARG A 2 -0.106 10.677 3.678 1.00 0.00 C ATOM 28 NH1 ARG A 2 -0.053 11.788 4.470 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.271 10.363 3.043 1.00 0.00 N ATOM 0 H ARG A 2 5.372 8.728 4.659 1.00 0.00 H new ATOM 0 HA ARG A 2 4.244 8.483 7.373 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.905 7.701 4.764 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.232 7.574 6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.304 9.604 6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.909 10.267 6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.508 11.211 4.189 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.115 9.674 3.605 1.00 0.00 H new ATOM 0 HE ARG A 2 0.901 9.050 2.909 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.813 12.030 4.951 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.879 12.376 4.580 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.322 9.534 2.451 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.092 10.957 3.160 1.00 0.00 H new ATOM 43 N ASP A 3 4.273 5.778 6.967 1.00 0.00 N ATOM 44 CA ASP A 3 4.515 4.371 6.805 1.00 0.00 C ATOM 45 C ASP A 3 3.091 3.947 6.881 1.00 0.00 C ATOM 46 O ASP A 3 2.353 4.531 7.681 1.00 0.00 O ATOM 47 CB ASP A 3 5.272 3.662 7.965 1.00 0.00 C ATOM 48 CG ASP A 3 6.596 4.363 8.273 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.465 4.424 7.367 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.758 4.841 9.427 1.00 0.00 O ATOM 0 H ASP A 3 3.611 5.990 7.714 1.00 0.00 H new ATOM 0 HA ASP A 3 5.128 4.142 5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.647 3.652 8.858 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.462 2.623 7.697 1.00 0.00 H new ATOM 55 N GLY A 4 2.629 3.022 6.021 1.00 0.00 N ATOM 56 CA GLY A 4 1.304 2.505 6.197 1.00 0.00 C ATOM 57 C GLY A 4 1.264 1.255 5.406 1.00 0.00 C ATOM 58 O GLY A 4 2.290 0.821 4.878 1.00 0.00 O ATOM 0 H GLY A 4 3.149 2.642 5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.094 2.312 7.249 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.555 3.216 5.848 1.00 0.00 H new ATOM 62 N TYR A 5 0.035 0.729 5.209 1.00 0.00 N ATOM 63 CA TYR A 5 -0.235 -0.256 4.198 1.00 0.00 C ATOM 64 C TYR A 5 -0.413 0.562 2.956 1.00 0.00 C ATOM 65 O TYR A 5 -1.021 1.627 3.031 1.00 0.00 O ATOM 66 CB TYR A 5 -1.537 -1.051 4.414 1.00 0.00 C ATOM 67 CG TYR A 5 -1.402 -2.052 5.526 1.00 0.00 C ATOM 68 CD1 TYR A 5 -1.700 -1.715 6.858 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.019 -3.370 5.227 1.00 0.00 C ATOM 70 CE1 TYR A 5 -1.646 -2.687 7.867 1.00 0.00 C ATOM 71 CE2 TYR A 5 -0.988 -4.345 6.227 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.320 -4.012 7.548 1.00 0.00 C ATOM 73 OH TYR A 5 -1.382 -5.019 8.537 1.00 0.00 O ATOM 0 H TYR A 5 -0.783 0.991 5.759 1.00 0.00 H new ATOM 0 HA TYR A 5 0.566 -0.995 4.183 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.350 -0.362 4.642 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.805 -1.566 3.492 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.973 -0.700 7.106 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.746 -3.632 4.215 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.856 -2.414 8.891 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.707 -5.359 5.982 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.895 -5.781 8.196 1.00 0.00 H new ATOM 83 N ILE A 6 0.144 0.142 1.805 1.00 0.00 N ATOM 84 CA ILE A 6 -0.081 0.825 0.557 1.00 0.00 C ATOM 85 C ILE A 6 -1.271 0.191 -0.120 1.00 0.00 C ATOM 86 O ILE A 6 -1.467 -1.041 -0.074 1.00 0.00 O ATOM 87 CB ILE A 6 1.168 0.997 -0.308 1.00 0.00 C ATOM 88 CG1 ILE A 6 0.929 1.884 -1.559 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.769 -0.374 -0.639 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.214 2.280 -2.291 1.00 0.00 C ATOM 0 H ILE A 6 0.753 -0.673 1.733 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.327 1.868 0.754 1.00 0.00 H new ATOM 0 HB ILE A 6 1.905 1.551 0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.277 1.351 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.401 2.788 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.658 -0.242 -1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.040 -0.885 0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.036 -0.971 -1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.966 2.899 -3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.859 2.841 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.733 1.382 -2.626 1.00 0.00 H new ATOM 102 N ALA A 7 -2.055 1.119 -0.724 1.00 0.00 N ATOM 103 CA ALA A 7 -3.288 0.966 -1.434 1.00 0.00 C ATOM 104 C ALA A 7 -3.033 0.870 -2.913 1.00 0.00 C ATOM 105 O ALA A 7 -1.944 0.523 -3.357 1.00 0.00 O ATOM 106 CB ALA A 7 -4.167 2.226 -1.241 1.00 0.00 C ATOM 0 H ALA A 7 -1.777 2.100 -0.705 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.774 0.068 -1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.104 2.103 -1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.378 2.364 -0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.639 3.100 -1.622 1.00 0.00 H new ATOM 112 N GLN A 8 -4.071 1.247 -3.690 1.00 0.00 N ATOM 113 CA GLN A 8 -4.089 1.546 -5.087 1.00 0.00 C ATOM 114 C GLN A 8 -4.873 2.822 -4.970 1.00 0.00 C ATOM 115 O GLN A 8 -5.619 2.908 -3.988 1.00 0.00 O ATOM 116 CB GLN A 8 -4.976 0.594 -5.926 1.00 0.00 C ATOM 117 CG GLN A 8 -4.506 -0.863 -5.902 1.00 0.00 C ATOM 118 CD GLN A 8 -5.633 -1.733 -6.461 1.00 0.00 C ATOM 119 OE1 GLN A 8 -6.120 -1.488 -7.574 1.00 0.00 O ATOM 120 NE2 GLN A 8 -6.102 -2.732 -5.666 1.00 0.00 N ATOM 0 H GLN A 8 -5.001 1.352 -3.285 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.105 1.523 -5.554 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.999 0.643 -5.554 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.995 0.944 -6.958 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.602 -0.981 -6.499 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.259 -1.167 -4.885 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.674 -2.903 -4.756 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.881 -3.310 -5.980 1.00 0.00 H new ATOM 129 N PRO A 9 -4.791 3.805 -5.858 1.00 0.00 N ATOM 130 CA PRO A 9 -5.723 4.921 -5.889 1.00 0.00 C ATOM 131 C PRO A 9 -7.081 4.382 -6.289 1.00 0.00 C ATOM 132 O PRO A 9 -7.098 3.577 -7.221 1.00 0.00 O ATOM 133 CB PRO A 9 -5.176 5.852 -6.988 1.00 0.00 C ATOM 134 CG PRO A 9 -3.698 5.461 -7.129 1.00 0.00 C ATOM 135 CD PRO A 9 -3.703 3.965 -6.818 1.00 0.00 C ATOM 0 HA PRO A 9 -5.822 5.439 -4.935 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.713 5.715 -7.927 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.284 6.900 -6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.322 5.663 -8.132 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.067 6.015 -6.434 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.873 3.372 -7.716 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.750 3.642 -6.398 1.00 0.00 H new ATOM 143 N GLU A 10 -8.214 4.750 -5.646 1.00 0.00 N ATOM 144 CA GLU A 10 -8.383 5.930 -4.838 1.00 0.00 C ATOM 145 C GLU A 10 -8.050 5.646 -3.411 1.00 0.00 C ATOM 146 O GLU A 10 -7.200 6.312 -2.828 1.00 0.00 O ATOM 147 CB GLU A 10 -9.814 6.489 -4.942 1.00 0.00 C ATOM 148 CG GLU A 10 -10.134 6.965 -6.374 1.00 0.00 C ATOM 149 CD GLU A 10 -11.442 7.756 -6.443 1.00 0.00 C ATOM 150 OE1 GLU A 10 -11.932 8.221 -5.380 1.00 0.00 O ATOM 151 OE2 GLU A 10 -11.961 7.920 -7.580 1.00 0.00 O ATOM 0 H GLU A 10 -9.064 4.188 -5.694 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.696 6.685 -5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.528 5.721 -4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.932 7.320 -4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.316 7.586 -6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.199 6.101 -7.036 1.00 0.00 H new ATOM 158 N ASN A 11 -8.701 4.635 -2.819 1.00 0.00 N ATOM 159 CA ASN A 11 -8.472 4.199 -1.481 1.00 0.00 C ATOM 160 C ASN A 11 -8.825 2.796 -1.796 1.00 0.00 C ATOM 161 O ASN A 11 -9.808 2.580 -2.505 1.00 0.00 O ATOM 162 CB ASN A 11 -9.458 4.779 -0.431 1.00 0.00 C ATOM 163 CG ASN A 11 -9.107 4.316 0.989 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.106 4.763 1.559 1.00 0.00 O ATOM 165 ND2 ASN A 11 -9.946 3.425 1.590 1.00 0.00 N ATOM 0 H ASN A 11 -9.423 4.095 -3.296 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.508 4.449 -1.038 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.438 5.868 -0.475 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.474 4.469 -0.675 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.756 3.107 2.540 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.764 3.077 1.089 1.00 0.00 H new ATOM 172 N CYS A 12 -8.010 1.834 -1.368 1.00 0.00 N ATOM 173 CA CYS A 12 -8.165 0.448 -1.687 1.00 0.00 C ATOM 174 C CYS A 12 -7.068 -0.162 -0.901 1.00 0.00 C ATOM 175 O CYS A 12 -6.481 0.535 -0.078 1.00 0.00 O ATOM 176 CB CYS A 12 -8.058 0.092 -3.203 1.00 0.00 C ATOM 177 SG CYS A 12 -9.482 -0.834 -3.853 1.00 0.00 S ATOM 0 H CYS A 12 -7.204 2.021 -0.772 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.166 0.089 -1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.947 1.014 -3.774 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.153 -0.494 -3.364 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.300 -1.079 -5.117 1.00 0.00 H new ATOM 182 N VAL A 13 -6.776 -1.453 -1.144 1.00 0.00 N ATOM 183 CA VAL A 13 -5.608 -2.139 -0.676 1.00 0.00 C ATOM 184 C VAL A 13 -4.892 -2.358 -1.965 1.00 0.00 C ATOM 185 O VAL A 13 -5.527 -2.335 -3.021 1.00 0.00 O ATOM 186 CB VAL A 13 -5.878 -3.506 -0.039 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.228 -3.349 1.449 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.991 -4.273 -0.785 1.00 0.00 C ATOM 0 H VAL A 13 -7.388 -2.052 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.095 -1.576 0.103 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.964 -4.095 -0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.416 -4.331 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.397 -2.875 1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.120 -2.730 1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.154 -5.237 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.914 -3.693 -0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.692 -4.431 -1.821 1.00 0.00 H new ATOM 198 N TYR A 14 -3.569 -2.629 -1.923 1.00 0.00 N ATOM 199 CA TYR A 14 -2.873 -3.213 -3.051 1.00 0.00 C ATOM 200 C TYR A 14 -3.167 -4.693 -3.021 1.00 0.00 C ATOM 201 O TYR A 14 -4.115 -5.125 -2.378 1.00 0.00 O ATOM 202 CB TYR A 14 -1.338 -2.932 -3.049 1.00 0.00 C ATOM 203 CG TYR A 14 -0.774 -2.321 -4.312 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.319 -2.541 -5.594 1.00 0.00 C ATOM 205 CD2 TYR A 14 0.402 -1.558 -4.214 1.00 0.00 C ATOM 206 CE1 TYR A 14 -0.743 -1.956 -6.730 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.993 -0.988 -5.345 1.00 0.00 C ATOM 208 CZ TYR A 14 0.410 -1.170 -6.603 1.00 0.00 C ATOM 209 OH TYR A 14 1.018 -0.596 -7.740 1.00 0.00 O ATOM 0 H TYR A 14 -2.977 -2.446 -1.113 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.229 -2.755 -3.974 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.112 -2.268 -2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.817 -3.871 -2.859 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.191 -3.168 -5.702 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.858 -1.409 -3.246 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.187 -2.111 -7.702 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.899 -0.408 -5.248 1.00 0.00 H new ATOM 0 HH TYR A 14 0.633 0.290 -7.904 1.00 0.00 H new ATOM 219 N HIS A 15 -2.373 -5.529 -3.698 1.00 0.00 N ATOM 220 CA HIS A 15 -2.400 -6.939 -3.464 1.00 0.00 C ATOM 221 C HIS A 15 -0.945 -7.161 -3.627 1.00 0.00 C ATOM 222 O HIS A 15 -0.281 -6.298 -4.206 1.00 0.00 O ATOM 223 CB HIS A 15 -3.227 -7.778 -4.465 1.00 0.00 C ATOM 224 CG HIS A 15 -4.702 -7.583 -4.245 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.423 -6.577 -4.832 1.00 0.00 N ATOM 226 CD2 HIS A 15 -5.532 -8.215 -3.382 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.652 -6.597 -4.333 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.745 -7.586 -3.455 1.00 0.00 N ATOM 0 H HIS A 15 -1.708 -5.232 -4.412 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.874 -7.237 -2.529 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.967 -7.493 -5.485 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.976 -8.833 -4.355 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.283 -9.058 -2.754 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.448 -5.917 -4.599 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.579 -7.836 -2.924 1.00 0.00 H new ATOM 237 N CYS A 16 -0.412 -8.265 -3.079 1.00 0.00 N ATOM 238 CA CYS A 16 0.991 -8.486 -2.939 1.00 0.00 C ATOM 239 C CYS A 16 1.134 -9.857 -3.480 1.00 0.00 C ATOM 240 O CYS A 16 0.138 -10.555 -3.668 1.00 0.00 O ATOM 241 CB CYS A 16 1.468 -8.474 -1.457 1.00 0.00 C ATOM 242 SG CYS A 16 3.275 -8.624 -1.243 1.00 0.00 S ATOM 0 H CYS A 16 -0.980 -9.033 -2.720 1.00 0.00 H new ATOM 0 HA CYS A 16 1.579 -7.713 -3.434 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.135 -7.548 -0.989 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.983 -9.292 -0.925 1.00 0.00 H new ATOM 247 N PHE A 17 2.388 -10.267 -3.715 1.00 0.00 N ATOM 248 CA PHE A 17 2.752 -11.578 -4.122 1.00 0.00 C ATOM 249 C PHE A 17 3.520 -12.014 -2.904 1.00 0.00 C ATOM 250 O PHE A 17 4.548 -11.378 -2.642 1.00 0.00 O ATOM 251 CB PHE A 17 3.694 -11.540 -5.350 1.00 0.00 C ATOM 252 CG PHE A 17 3.044 -10.754 -6.467 1.00 0.00 C ATOM 253 CD1 PHE A 17 2.069 -11.348 -7.288 1.00 0.00 C ATOM 254 CD2 PHE A 17 3.361 -9.396 -6.669 1.00 0.00 C ATOM 255 CE1 PHE A 17 1.443 -10.612 -8.303 1.00 0.00 C ATOM 256 CE2 PHE A 17 2.735 -8.657 -7.680 1.00 0.00 C ATOM 257 CZ PHE A 17 1.779 -9.267 -8.501 1.00 0.00 C ATOM 0 H PHE A 17 3.191 -9.646 -3.615 1.00 0.00 H new ATOM 0 HA PHE A 17 1.917 -12.215 -4.415 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.645 -11.083 -5.077 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.912 -12.554 -5.685 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.800 -12.383 -7.135 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.095 -8.920 -6.037 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.702 -11.082 -8.932 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.989 -7.618 -7.826 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.301 -8.701 -9.287 1.00 0.00 H new ATOM 267 N PRO A 18 3.098 -13.002 -2.107 1.00 0.00 N ATOM 268 CA PRO A 18 3.793 -13.373 -0.885 1.00 0.00 C ATOM 269 C PRO A 18 5.228 -13.761 -1.139 1.00 0.00 C ATOM 270 O PRO A 18 5.488 -14.590 -2.007 1.00 0.00 O ATOM 271 CB PRO A 18 2.974 -14.548 -0.348 1.00 0.00 C ATOM 272 CG PRO A 18 1.534 -14.170 -0.712 1.00 0.00 C ATOM 273 CD PRO A 18 1.691 -13.421 -2.044 1.00 0.00 C ATOM 0 HA PRO A 18 3.859 -12.546 -0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.271 -15.490 -0.809 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.099 -14.667 0.728 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.901 -15.051 -0.818 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.078 -13.541 0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.437 -14.065 -2.886 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.025 -12.560 -2.089 1.00 0.00 H new ATOM 281 N GLY A 19 6.164 -13.109 -0.430 1.00 0.00 N ATOM 282 CA GLY A 19 7.553 -13.078 -0.785 1.00 0.00 C ATOM 283 C GLY A 19 7.860 -11.645 -0.538 1.00 0.00 C ATOM 284 O GLY A 19 8.700 -11.326 0.301 1.00 0.00 O ATOM 0 H GLY A 19 5.951 -12.585 0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.155 -13.744 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.723 -13.366 -1.822 1.00 0.00 H new ATOM 288 N SER A 20 7.094 -10.764 -1.223 1.00 0.00 N ATOM 289 CA SER A 20 7.039 -9.317 -1.124 1.00 0.00 C ATOM 290 C SER A 20 7.452 -8.758 -2.440 1.00 0.00 C ATOM 291 O SER A 20 6.936 -7.722 -2.851 1.00 0.00 O ATOM 292 CB SER A 20 7.863 -8.569 -0.039 1.00 0.00 C ATOM 293 OG SER A 20 7.608 -9.122 1.242 1.00 0.00 O ATOM 0 H SER A 20 6.438 -11.102 -1.927 1.00 0.00 H new ATOM 0 HA SER A 20 6.008 -9.146 -0.814 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.926 -8.639 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.605 -7.510 -0.043 1.00 0.00 H new ATOM 0 HG SER A 20 8.071 -9.982 1.325 1.00 0.00 H new ATOM 299 N SER A 21 8.405 -9.433 -3.119 1.00 0.00 N ATOM 300 CA SER A 21 9.274 -8.961 -4.169 1.00 0.00 C ATOM 301 C SER A 21 8.648 -8.047 -5.192 1.00 0.00 C ATOM 302 O SER A 21 9.144 -6.949 -5.469 1.00 0.00 O ATOM 303 CB SER A 21 9.906 -10.191 -4.864 1.00 0.00 C ATOM 304 OG SER A 21 10.091 -11.231 -3.898 1.00 0.00 O ATOM 0 H SER A 21 8.586 -10.415 -2.910 1.00 0.00 H new ATOM 0 HA SER A 21 10.018 -8.331 -3.681 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.262 -10.538 -5.672 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.862 -9.920 -5.312 1.00 0.00 H new ATOM 0 HG SER A 21 9.331 -11.849 -3.933 1.00 0.00 H new ATOM 310 N GLY A 22 7.506 -8.473 -5.768 1.00 0.00 N ATOM 311 CA GLY A 22 6.844 -7.711 -6.796 1.00 0.00 C ATOM 312 C GLY A 22 6.273 -6.445 -6.237 1.00 0.00 C ATOM 313 O GLY A 22 6.430 -5.378 -6.821 1.00 0.00 O ATOM 0 H GLY A 22 7.038 -9.346 -5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.550 -7.476 -7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.048 -8.308 -7.242 1.00 0.00 H new ATOM 317 N CYS A 23 5.620 -6.508 -5.059 1.00 0.00 N ATOM 318 CA CYS A 23 4.880 -5.373 -4.568 1.00 0.00 C ATOM 319 C CYS A 23 5.787 -4.456 -3.803 1.00 0.00 C ATOM 320 O CYS A 23 5.529 -3.259 -3.691 1.00 0.00 O ATOM 321 CB CYS A 23 3.709 -5.772 -3.672 1.00 0.00 C ATOM 322 SG CYS A 23 2.453 -4.468 -3.619 1.00 0.00 S ATOM 0 H CYS A 23 5.601 -7.328 -4.453 1.00 0.00 H new ATOM 0 HA CYS A 23 4.473 -4.867 -5.443 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.263 -6.696 -4.041 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.071 -5.974 -2.664 1.00 0.00 H new ATOM 327 N ASP A 24 6.908 -5.001 -3.291 1.00 0.00 N ATOM 328 CA ASP A 24 8.001 -4.241 -2.729 1.00 0.00 C ATOM 329 C ASP A 24 8.578 -3.358 -3.811 1.00 0.00 C ATOM 330 O ASP A 24 8.911 -2.203 -3.570 1.00 0.00 O ATOM 331 CB ASP A 24 9.098 -5.177 -2.151 1.00 0.00 C ATOM 332 CG ASP A 24 10.195 -4.403 -1.413 1.00 0.00 C ATOM 333 OD1 ASP A 24 9.844 -3.603 -0.505 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.393 -4.607 -1.745 1.00 0.00 O ATOM 0 H ASP A 24 7.066 -6.008 -3.264 1.00 0.00 H new ATOM 0 HA ASP A 24 7.629 -3.630 -1.906 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.639 -5.892 -1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.545 -5.752 -2.962 1.00 0.00 H new ATOM 339 N THR A 25 8.644 -3.871 -5.055 1.00 0.00 N ATOM 340 CA THR A 25 9.066 -3.095 -6.195 1.00 0.00 C ATOM 341 C THR A 25 8.014 -2.047 -6.529 1.00 0.00 C ATOM 342 O THR A 25 8.356 -0.903 -6.829 1.00 0.00 O ATOM 343 CB THR A 25 9.358 -3.972 -7.402 1.00 0.00 C ATOM 344 OG1 THR A 25 10.211 -5.057 -7.034 1.00 0.00 O ATOM 345 CG2 THR A 25 10.071 -3.154 -8.501 1.00 0.00 C ATOM 0 H THR A 25 8.402 -4.837 -5.278 1.00 0.00 H new ATOM 0 HA THR A 25 9.997 -2.593 -5.933 1.00 0.00 H new ATOM 0 HB THR A 25 8.407 -4.353 -7.775 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.678 -5.765 -6.615 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.273 -3.796 -9.359 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.433 -2.326 -8.810 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.011 -2.762 -8.111 1.00 0.00 H new ATOM 353 N LEU A 26 6.702 -2.393 -6.448 1.00 0.00 N ATOM 354 CA LEU A 26 5.618 -1.468 -6.741 1.00 0.00 C ATOM 355 C LEU A 26 5.585 -0.331 -5.756 1.00 0.00 C ATOM 356 O LEU A 26 5.341 0.822 -6.102 1.00 0.00 O ATOM 357 CB LEU A 26 4.213 -2.107 -6.721 1.00 0.00 C ATOM 358 CG LEU A 26 4.005 -3.208 -7.782 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.620 -3.866 -7.636 1.00 0.00 C ATOM 360 CD2 LEU A 26 4.247 -2.701 -9.219 1.00 0.00 C ATOM 0 H LEU A 26 6.385 -3.324 -6.177 1.00 0.00 H new ATOM 0 HA LEU A 26 5.836 -1.126 -7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.033 -2.531 -5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.468 -1.326 -6.873 1.00 0.00 H new ATOM 0 HG LEU A 26 4.760 -3.972 -7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.502 -4.638 -8.397 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.533 -4.315 -6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.844 -3.111 -7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.087 -3.516 -9.924 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.554 -1.889 -9.440 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.271 -2.339 -9.309 1.00 0.00 H new ATOM 372 N CYS A 27 5.871 -0.648 -4.482 1.00 0.00 N ATOM 373 CA CYS A 27 6.098 0.310 -3.417 1.00 0.00 C ATOM 374 C CYS A 27 7.159 1.315 -3.828 1.00 0.00 C ATOM 375 O CYS A 27 6.949 2.525 -3.723 1.00 0.00 O ATOM 376 CB CYS A 27 6.521 -0.416 -2.105 1.00 0.00 C ATOM 377 SG CYS A 27 6.772 0.637 -0.649 1.00 0.00 S ATOM 0 H CYS A 27 5.950 -1.615 -4.167 1.00 0.00 H new ATOM 0 HA CYS A 27 5.165 0.842 -3.230 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.760 -1.158 -1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.446 -0.960 -2.298 1.00 0.00 H new ATOM 382 N LYS A 28 8.312 0.841 -4.357 1.00 0.00 N ATOM 383 CA LYS A 28 9.431 1.700 -4.686 1.00 0.00 C ATOM 384 C LYS A 28 9.107 2.667 -5.791 1.00 0.00 C ATOM 385 O LYS A 28 9.447 3.846 -5.708 1.00 0.00 O ATOM 386 CB LYS A 28 10.719 0.928 -5.048 1.00 0.00 C ATOM 387 CG LYS A 28 11.309 0.191 -3.834 1.00 0.00 C ATOM 388 CD LYS A 28 12.534 -0.672 -4.178 1.00 0.00 C ATOM 389 CE LYS A 28 12.998 -1.561 -3.012 1.00 0.00 C ATOM 390 NZ LYS A 28 13.446 -0.751 -1.856 1.00 0.00 N ATOM 0 H LYS A 28 8.474 -0.145 -4.560 1.00 0.00 H new ATOM 0 HA LYS A 28 9.622 2.256 -3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.501 0.209 -5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.459 1.623 -5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.591 0.922 -3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.539 -0.443 -3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.296 -1.303 -5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.355 -0.022 -4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.182 -2.215 -2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.813 -2.203 -3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.720 -1.382 -1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.262 -0.170 -2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.671 -0.132 -1.545 1.00 0.00 H new ATOM 404 N GLU A 29 8.398 2.217 -6.850 1.00 0.00 N ATOM 405 CA GLU A 29 8.094 3.070 -7.983 1.00 0.00 C ATOM 406 C GLU A 29 6.997 4.063 -7.664 1.00 0.00 C ATOM 407 O GLU A 29 6.759 4.995 -8.432 1.00 0.00 O ATOM 408 CB GLU A 29 7.732 2.274 -9.262 1.00 0.00 C ATOM 409 CG GLU A 29 6.515 1.353 -9.104 1.00 0.00 C ATOM 410 CD GLU A 29 6.349 0.458 -10.330 1.00 0.00 C ATOM 411 OE1 GLU A 29 7.260 -0.376 -10.580 1.00 0.00 O ATOM 412 OE2 GLU A 29 5.305 0.584 -11.024 1.00 0.00 O ATOM 0 H GLU A 29 8.033 1.268 -6.928 1.00 0.00 H new ATOM 0 HA GLU A 29 9.014 3.618 -8.187 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.539 2.977 -10.072 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.592 1.674 -9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.633 0.737 -8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.616 1.952 -8.961 1.00 0.00 H new ATOM 419 N LYS A 30 6.326 3.912 -6.497 1.00 0.00 N ATOM 420 CA LYS A 30 5.341 4.856 -6.014 1.00 0.00 C ATOM 421 C LYS A 30 5.958 5.691 -4.915 1.00 0.00 C ATOM 422 O LYS A 30 5.288 6.503 -4.276 1.00 0.00 O ATOM 423 CB LYS A 30 4.064 4.152 -5.501 1.00 0.00 C ATOM 424 CG LYS A 30 3.324 3.414 -6.635 1.00 0.00 C ATOM 425 CD LYS A 30 2.146 2.539 -6.171 1.00 0.00 C ATOM 426 CE LYS A 30 0.901 3.318 -5.725 1.00 0.00 C ATOM 427 NZ LYS A 30 -0.161 2.385 -5.277 1.00 0.00 N ATOM 0 H LYS A 30 6.469 3.118 -5.873 1.00 0.00 H new ATOM 0 HA LYS A 30 5.040 5.493 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.330 3.442 -4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.398 4.889 -5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.953 4.150 -7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.038 2.786 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.866 1.870 -6.985 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.481 1.913 -5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.161 3.999 -4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.533 3.930 -6.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.989 2.478 -5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.195 1.409 -5.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.434 2.614 -4.300 1.00 0.00 H new ATOM 441 N GLY A 31 7.281 5.537 -4.694 1.00 0.00 N ATOM 442 CA GLY A 31 8.032 6.451 -3.876 1.00 0.00 C ATOM 443 C GLY A 31 8.101 6.000 -2.457 1.00 0.00 C ATOM 444 O GLY A 31 8.382 6.813 -1.581 1.00 0.00 O ATOM 0 H GLY A 31 7.835 4.774 -5.084 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.042 6.550 -4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.574 7.439 -3.921 1.00 0.00 H new ATOM 448 N GLY A 32 7.869 4.696 -2.179 1.00 0.00 N ATOM 449 CA GLY A 32 8.123 4.145 -0.869 1.00 0.00 C ATOM 450 C GLY A 32 9.565 3.772 -0.857 1.00 0.00 C ATOM 451 O GLY A 32 10.125 3.429 -1.895 1.00 0.00 O ATOM 0 H GLY A 32 7.507 4.024 -2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.901 4.873 -0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.493 3.276 -0.682 1.00 0.00 H new ATOM 455 N THR A 33 10.233 3.853 0.307 1.00 0.00 N ATOM 456 CA THR A 33 11.670 3.743 0.322 1.00 0.00 C ATOM 457 C THR A 33 12.018 2.282 0.459 1.00 0.00 C ATOM 458 O THR A 33 13.028 1.809 -0.065 1.00 0.00 O ATOM 459 CB THR A 33 12.259 4.595 1.424 1.00 0.00 C ATOM 460 OG1 THR A 33 11.793 5.938 1.276 1.00 0.00 O ATOM 461 CG2 THR A 33 13.804 4.610 1.359 1.00 0.00 C ATOM 0 H THR A 33 9.798 3.991 1.219 1.00 0.00 H new ATOM 0 HA THR A 33 12.102 4.120 -0.605 1.00 0.00 H new ATOM 0 HB THR A 33 11.949 4.173 2.380 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.841 5.981 1.504 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.196 5.231 2.164 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.183 3.594 1.467 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.124 5.016 0.399 1.00 0.00 H new ATOM 469 N SER A 34 11.187 1.501 1.175 1.00 0.00 N ATOM 470 CA SER A 34 11.291 0.071 1.216 1.00 0.00 C ATOM 471 C SER A 34 9.918 -0.243 1.697 1.00 0.00 C ATOM 472 O SER A 34 9.121 0.683 1.870 1.00 0.00 O ATOM 473 CB SER A 34 12.389 -0.455 2.167 1.00 0.00 C ATOM 474 OG SER A 34 13.666 -0.150 1.614 1.00 0.00 O ATOM 0 H SER A 34 10.423 1.872 1.740 1.00 0.00 H new ATOM 0 HA SER A 34 11.585 -0.390 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.286 0.002 3.151 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.285 -1.531 2.303 1.00 0.00 H new ATOM 0 HG SER A 34 13.550 0.336 0.771 1.00 0.00 H new ATOM 480 N GLY A 35 9.563 -1.514 1.930 1.00 0.00 N ATOM 481 CA GLY A 35 8.203 -1.796 2.231 1.00 0.00 C ATOM 482 C GLY A 35 8.241 -3.231 2.526 1.00 0.00 C ATOM 483 O GLY A 35 9.328 -3.795 2.652 1.00 0.00 O ATOM 0 H GLY A 35 10.191 -2.318 1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.846 -1.215 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.545 -1.570 1.392 1.00 0.00 H new ATOM 487 N HIS A 36 7.055 -3.842 2.646 1.00 0.00 N ATOM 488 CA HIS A 36 6.894 -5.176 3.131 1.00 0.00 C ATOM 489 C HIS A 36 5.536 -5.457 2.582 1.00 0.00 C ATOM 490 O HIS A 36 5.076 -4.759 1.678 1.00 0.00 O ATOM 491 CB HIS A 36 6.889 -5.306 4.682 1.00 0.00 C ATOM 492 CG HIS A 36 8.159 -4.822 5.336 1.00 0.00 C ATOM 493 ND1 HIS A 36 8.310 -3.558 5.849 1.00 0.00 N ATOM 494 CD2 HIS A 36 9.346 -5.454 5.489 1.00 0.00 C ATOM 495 CE1 HIS A 36 9.553 -3.432 6.293 1.00 0.00 C ATOM 496 NE2 HIS A 36 10.203 -4.569 6.087 1.00 0.00 N ATOM 0 H HIS A 36 6.174 -3.393 2.397 1.00 0.00 H new ATOM 0 HA HIS A 36 7.704 -5.845 2.839 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.047 -4.741 5.082 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.728 -6.350 4.950 1.00 0.00 H new ATOM 0 HD1 HIS A 36 7.588 -2.838 5.883 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.575 -6.468 5.194 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.969 -2.546 6.749 1.00 0.00 H new ATOM 505 N CYS A 37 4.817 -6.450 3.116 1.00 0.00 N ATOM 506 CA CYS A 37 3.475 -6.725 2.720 1.00 0.00 C ATOM 507 C CYS A 37 2.966 -7.272 3.988 1.00 0.00 C ATOM 508 O CYS A 37 3.750 -7.485 4.913 1.00 0.00 O ATOM 509 CB CYS A 37 3.307 -7.786 1.612 1.00 0.00 C ATOM 510 SG CYS A 37 3.774 -7.121 -0.006 1.00 0.00 S ATOM 0 H CYS A 37 5.173 -7.077 3.838 1.00 0.00 H new ATOM 0 HA CYS A 37 2.984 -5.850 2.294 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.922 -8.656 1.842 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.272 -8.126 1.584 1.00 0.00 H new ATOM 515 N GLY A 38 1.647 -7.484 4.067 1.00 0.00 N ATOM 516 CA GLY A 38 0.999 -7.884 5.264 1.00 0.00 C ATOM 517 C GLY A 38 -0.380 -7.989 4.728 1.00 0.00 C ATOM 518 O GLY A 38 -0.577 -7.890 3.513 1.00 0.00 O ATOM 0 H GLY A 38 1.014 -7.374 3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.376 -8.829 5.656 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.090 -7.148 6.063 1.00 0.00 H new ATOM 522 N PHE A 39 -1.365 -8.173 5.620 1.00 0.00 N ATOM 523 CA PHE A 39 -2.749 -8.317 5.269 1.00 0.00 C ATOM 524 C PHE A 39 -3.360 -7.219 6.084 1.00 0.00 C ATOM 525 O PHE A 39 -2.815 -6.886 7.145 1.00 0.00 O ATOM 526 CB PHE A 39 -3.288 -9.704 5.721 1.00 0.00 C ATOM 527 CG PHE A 39 -4.541 -10.129 5.001 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.805 -9.741 5.468 1.00 0.00 C ATOM 529 CD2 PHE A 39 -4.466 -10.987 3.890 1.00 0.00 C ATOM 530 CE1 PHE A 39 -6.972 -10.209 4.854 1.00 0.00 C ATOM 531 CE2 PHE A 39 -5.630 -11.458 3.269 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.886 -11.076 3.756 1.00 0.00 C ATOM 0 H PHE A 39 -1.197 -8.224 6.625 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.957 -8.259 4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.514 -10.455 5.560 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.487 -9.675 6.792 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.879 -9.072 6.313 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.500 -11.286 3.511 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.938 -9.902 5.226 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.559 -12.115 2.415 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.785 -11.448 3.287 1.00 0.00 H new ATOM 542 N LYS A 40 -4.477 -6.630 5.605 1.00 0.00 N ATOM 543 CA LYS A 40 -5.231 -5.658 6.350 1.00 0.00 C ATOM 544 C LYS A 40 -6.607 -6.247 6.412 1.00 0.00 C ATOM 545 O LYS A 40 -7.393 -6.150 5.466 1.00 0.00 O ATOM 546 CB LYS A 40 -5.280 -4.261 5.679 1.00 0.00 C ATOM 547 CG LYS A 40 -6.163 -3.219 6.398 1.00 0.00 C ATOM 548 CD LYS A 40 -5.800 -2.981 7.876 1.00 0.00 C ATOM 549 CE LYS A 40 -6.731 -1.985 8.588 1.00 0.00 C ATOM 550 NZ LYS A 40 -8.114 -2.512 8.685 1.00 0.00 N ATOM 0 H LYS A 40 -4.864 -6.832 4.683 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.775 -5.478 7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.264 -3.871 5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.642 -4.378 4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.093 -2.272 5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.203 -3.541 6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.828 -3.933 8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.776 -2.613 7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.348 -1.777 9.587 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.737 -1.039 8.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.553 -2.174 9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.670 -2.180 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.090 -3.552 8.687 1.00 0.00 H new ATOM 564 N VAL A 41 -6.946 -6.896 7.550 1.00 0.00 N ATOM 565 CA VAL A 41 -8.215 -7.562 7.709 1.00 0.00 C ATOM 566 C VAL A 41 -9.224 -6.461 7.885 1.00 0.00 C ATOM 567 O VAL A 41 -9.058 -5.593 8.738 1.00 0.00 O ATOM 568 CB VAL A 41 -8.281 -8.535 8.884 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.501 -9.460 8.690 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.978 -9.361 8.983 1.00 0.00 C ATOM 0 H VAL A 41 -6.337 -6.960 8.366 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.401 -8.188 6.836 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.388 -7.979 9.815 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.562 -10.161 9.522 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.410 -8.860 8.654 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.394 -10.013 7.757 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.046 -10.048 9.827 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.836 -9.929 8.063 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.132 -8.690 9.129 1.00 0.00 H new ATOM 580 N GLY A 42 -10.245 -6.433 7.012 1.00 0.00 N ATOM 581 CA GLY A 42 -11.089 -5.282 6.875 1.00 0.00 C ATOM 582 C GLY A 42 -11.240 -5.102 5.407 1.00 0.00 C ATOM 583 O GLY A 42 -12.328 -4.800 4.926 1.00 0.00 O ATOM 0 H GLY A 42 -10.489 -7.209 6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.054 -5.438 7.357 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.640 -4.403 7.338 1.00 0.00 H new ATOM 587 N HIS A 43 -10.141 -5.294 4.645 1.00 0.00 N ATOM 588 CA HIS A 43 -10.185 -5.176 3.208 1.00 0.00 C ATOM 589 C HIS A 43 -9.670 -6.464 2.641 1.00 0.00 C ATOM 590 O HIS A 43 -10.396 -7.173 1.951 1.00 0.00 O ATOM 591 CB HIS A 43 -9.333 -4.016 2.644 1.00 0.00 C ATOM 592 CG HIS A 43 -9.979 -2.655 2.713 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.484 -1.589 2.004 1.00 0.00 N ATOM 594 CD2 HIS A 43 -11.076 -2.214 3.374 1.00 0.00 C ATOM 595 CE1 HIS A 43 -10.260 -0.539 2.228 1.00 0.00 C ATOM 596 NE2 HIS A 43 -11.233 -0.889 3.055 1.00 0.00 N ATOM 0 H HIS A 43 -9.222 -5.531 5.020 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.216 -4.963 2.926 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.389 -3.981 3.188 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.093 -4.235 1.604 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.708 -2.796 4.029 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.121 0.445 1.804 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.974 -0.277 3.397 1.00 0.00 H new ATOM 605 N GLY A 44 -8.390 -6.812 2.886 1.00 0.00 N ATOM 606 CA GLY A 44 -7.837 -7.949 2.216 1.00 0.00 C ATOM 607 C GLY A 44 -6.357 -7.837 2.324 1.00 0.00 C ATOM 608 O GLY A 44 -5.829 -7.130 3.185 1.00 0.00 O ATOM 0 H GLY A 44 -7.759 -6.326 3.524 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.188 -8.875 2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.147 -7.970 1.171 1.00 0.00 H new ATOM 612 N LEU A 45 -5.667 -8.544 1.401 1.00 0.00 N ATOM 613 CA LEU A 45 -4.236 -8.583 1.211 1.00 0.00 C ATOM 614 C LEU A 45 -3.861 -7.222 0.707 1.00 0.00 C ATOM 615 O LEU A 45 -4.672 -6.606 0.026 1.00 0.00 O ATOM 616 CB LEU A 45 -3.921 -9.659 0.140 1.00 0.00 C ATOM 617 CG LEU A 45 -2.457 -9.847 -0.318 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.505 -10.301 0.804 1.00 0.00 C ATOM 619 CD2 LEU A 45 -2.423 -10.850 -1.488 1.00 0.00 C ATOM 0 H LEU A 45 -6.151 -9.140 0.729 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.689 -8.828 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.273 -10.617 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.516 -9.429 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.093 -8.869 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.497 -10.411 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.500 -9.557 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.843 -11.257 1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.394 -10.989 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.831 -11.806 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.020 -10.465 -2.315 1.00 0.00 H new ATOM 631 N ALA A 46 -2.672 -6.690 1.046 1.00 0.00 N ATOM 632 CA ALA A 46 -2.355 -5.327 0.750 1.00 0.00 C ATOM 633 C ALA A 46 -0.874 -5.376 0.667 1.00 0.00 C ATOM 634 O ALA A 46 -0.306 -6.460 0.829 1.00 0.00 O ATOM 635 CB ALA A 46 -2.774 -4.368 1.879 1.00 0.00 C ATOM 0 H ALA A 46 -1.931 -7.203 1.524 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.863 -4.961 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.511 -3.346 1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.851 -4.437 2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.257 -4.641 2.799 1.00 0.00 H new ATOM 641 N CYS A 47 -0.202 -4.222 0.450 1.00 0.00 N ATOM 642 CA CYS A 47 1.237 -4.243 0.575 1.00 0.00 C ATOM 643 C CYS A 47 1.473 -3.214 1.600 1.00 0.00 C ATOM 644 O CYS A 47 0.520 -2.552 2.007 1.00 0.00 O ATOM 645 CB CYS A 47 2.020 -3.943 -0.707 1.00 0.00 C ATOM 646 SG CYS A 47 1.412 -5.019 -2.006 1.00 0.00 S ATOM 0 H CYS A 47 -0.619 -3.325 0.203 1.00 0.00 H new ATOM 0 HA CYS A 47 1.594 -5.242 0.824 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.896 -2.898 -0.991 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.086 -4.106 -0.547 1.00 0.00 H new ATOM 651 N TRP A 48 2.730 -3.063 2.056 1.00 0.00 N ATOM 652 CA TRP A 48 3.053 -2.164 3.125 1.00 0.00 C ATOM 653 C TRP A 48 4.222 -1.398 2.593 1.00 0.00 C ATOM 654 O TRP A 48 5.003 -1.934 1.809 1.00 0.00 O ATOM 655 CB TRP A 48 3.351 -2.951 4.436 1.00 0.00 C ATOM 656 CG TRP A 48 4.009 -2.182 5.563 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.324 -1.844 5.655 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.362 -1.624 6.720 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.545 -1.084 6.768 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.354 -0.918 7.439 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.046 -1.666 7.165 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.038 -0.222 8.599 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.731 -0.981 8.347 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.711 -0.265 9.051 1.00 0.00 C ATOM 0 H TRP A 48 3.532 -3.569 1.680 1.00 0.00 H new ATOM 0 HA TRP A 48 2.242 -1.492 3.407 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.411 -3.359 4.808 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.990 -3.798 4.185 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.086 -2.136 4.947 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.446 -0.702 7.055 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.290 -2.209 6.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.791 0.335 9.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.718 -1.005 8.721 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.439 0.261 9.954 1.00 0.00 H new ATOM 675 N CYS A 49 4.364 -0.117 2.993 1.00 0.00 N ATOM 676 CA CYS A 49 5.476 0.688 2.565 1.00 0.00 C ATOM 677 C CYS A 49 5.981 1.368 3.784 1.00 0.00 C ATOM 678 O CYS A 49 5.204 1.694 4.684 1.00 0.00 O ATOM 679 CB CYS A 49 5.138 1.802 1.556 1.00 0.00 C ATOM 680 SG CYS A 49 4.901 1.186 -0.127 1.00 0.00 S ATOM 0 H CYS A 49 3.710 0.362 3.612 1.00 0.00 H new ATOM 0 HA CYS A 49 6.178 0.020 2.066 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.232 2.315 1.880 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.940 2.540 1.557 1.00 0.00 H new ATOM 685 N ASN A 50 7.306 1.625 3.797 1.00 0.00 N ATOM 686 CA ASN A 50 7.951 2.427 4.792 1.00 0.00 C ATOM 687 C ASN A 50 8.483 3.589 4.014 1.00 0.00 C ATOM 688 O ASN A 50 9.092 3.417 2.954 1.00 0.00 O ATOM 689 CB ASN A 50 9.159 1.754 5.503 1.00 0.00 C ATOM 690 CG ASN A 50 8.680 0.919 6.698 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.101 -0.163 6.542 1.00 0.00 O ATOM 692 ND2 ASN A 50 8.917 1.439 7.939 1.00 0.00 N ATOM 0 H ASN A 50 7.947 1.262 3.091 1.00 0.00 H new ATOM 0 HA ASN A 50 7.238 2.653 5.585 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.695 1.118 4.799 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.860 2.516 5.842 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.614 0.932 8.771 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.397 2.334 8.034 1.00 0.00 H new ATOM 699 N ALA A 51 8.259 4.801 4.567 1.00 0.00 N ATOM 700 CA ALA A 51 8.739 6.074 4.102 1.00 0.00 C ATOM 701 C ALA A 51 8.229 6.385 2.726 1.00 0.00 C ATOM 702 O ALA A 51 8.990 6.341 1.756 1.00 0.00 O ATOM 703 CB ALA A 51 10.263 6.260 4.218 1.00 0.00 C ATOM 0 H ALA A 51 7.694 4.897 5.411 1.00 0.00 H new ATOM 0 HA ALA A 51 8.321 6.811 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.539 7.247 3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.562 6.170 5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.769 5.495 3.629 1.00 0.00 H new ATOM 709 N LEU A 52 6.909 6.692 2.666 1.00 0.00 N ATOM 710 CA LEU A 52 6.204 7.207 1.511 1.00 0.00 C ATOM 711 C LEU A 52 6.045 8.669 1.816 1.00 0.00 C ATOM 712 O LEU A 52 5.681 8.960 2.953 1.00 0.00 O ATOM 713 CB LEU A 52 4.746 6.687 1.357 1.00 0.00 C ATOM 714 CG LEU A 52 4.620 5.291 0.716 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.226 4.698 0.970 1.00 0.00 C ATOM 716 CD2 LEU A 52 4.885 5.311 -0.797 1.00 0.00 C ATOM 0 H LEU A 52 6.295 6.574 3.472 1.00 0.00 H new ATOM 0 HA LEU A 52 6.757 6.925 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.278 6.662 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.183 7.400 0.754 1.00 0.00 H new ATOM 0 HG LEU A 52 5.382 4.670 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.160 3.713 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.059 4.608 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.468 5.352 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.783 4.302 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.165 5.969 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.895 5.676 -0.985 1.00 0.00 H new ATOM 728 N PRO A 53 6.273 9.616 0.917 1.00 0.00 N ATOM 729 CA PRO A 53 6.056 11.022 1.201 1.00 0.00 C ATOM 730 C PRO A 53 4.592 11.372 1.264 1.00 0.00 C ATOM 731 O PRO A 53 3.722 10.554 0.967 1.00 0.00 O ATOM 732 CB PRO A 53 6.690 11.758 0.009 1.00 0.00 C ATOM 733 CG PRO A 53 7.730 10.780 -0.541 1.00 0.00 C ATOM 734 CD PRO A 53 7.081 9.423 -0.286 1.00 0.00 C ATOM 0 HA PRO A 53 6.482 11.291 2.168 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.943 12.008 -0.745 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.153 12.694 0.322 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.920 10.945 -1.601 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.687 10.875 -0.027 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.465 9.114 -1.131 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.832 8.647 -0.138 1.00 0.00 H new ATOM 742 N ASP A 54 4.304 12.640 1.587 1.00 0.00 N ATOM 743 CA ASP A 54 2.959 13.153 1.701 1.00 0.00 C ATOM 744 C ASP A 54 2.332 13.454 0.358 1.00 0.00 C ATOM 745 O ASP A 54 1.263 14.058 0.296 1.00 0.00 O ATOM 746 CB ASP A 54 2.955 14.480 2.490 1.00 0.00 C ATOM 747 CG ASP A 54 3.474 14.251 3.909 1.00 0.00 C ATOM 748 OD1 ASP A 54 2.721 13.662 4.728 1.00 0.00 O ATOM 749 OD2 ASP A 54 4.635 14.657 4.189 1.00 0.00 O ATOM 0 H ASP A 54 5.022 13.339 1.777 1.00 0.00 H new ATOM 0 HA ASP A 54 2.389 12.373 2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.578 15.216 1.981 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.945 14.887 2.526 1.00 0.00 H new ATOM 754 N ASN A 55 2.970 13.040 -0.761 1.00 0.00 N ATOM 755 CA ASN A 55 2.397 13.213 -2.079 1.00 0.00 C ATOM 756 C ASN A 55 1.696 11.945 -2.465 1.00 0.00 C ATOM 757 O ASN A 55 1.159 11.852 -3.568 1.00 0.00 O ATOM 758 CB ASN A 55 3.413 13.618 -3.196 1.00 0.00 C ATOM 759 CG ASN A 55 4.440 12.534 -3.581 1.00 0.00 C ATOM 760 OD1 ASN A 55 5.569 12.547 -3.085 1.00 0.00 O ATOM 761 ND2 ASN A 55 4.027 11.597 -4.482 1.00 0.00 N ATOM 0 H ASN A 55 3.883 12.585 -0.758 1.00 0.00 H new ATOM 0 HA ASN A 55 1.708 14.054 -2.006 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.853 13.897 -4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.953 14.506 -2.868 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.665 10.858 -4.778 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.080 11.635 -4.860 1.00 0.00 H new ATOM 768 N VAL A 56 1.730 10.920 -1.587 1.00 0.00 N ATOM 769 CA VAL A 56 1.127 9.642 -1.851 1.00 0.00 C ATOM 770 C VAL A 56 -0.035 9.626 -0.898 1.00 0.00 C ATOM 771 O VAL A 56 -0.138 10.497 -0.036 1.00 0.00 O ATOM 772 CB VAL A 56 2.087 8.468 -1.630 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.687 7.295 -2.554 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.538 8.932 -1.914 1.00 0.00 C ATOM 0 H VAL A 56 2.185 10.979 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 56 0.832 9.520 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 56 2.030 8.126 -0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.369 6.460 -2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.669 6.981 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.740 7.617 -3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.224 8.099 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.615 9.276 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.798 9.747 -1.239 1.00 0.00 H new ATOM 784 N GLY A 57 -0.946 8.641 -1.015 1.00 0.00 N ATOM 785 CA GLY A 57 -2.058 8.492 -0.131 1.00 0.00 C ATOM 786 C GLY A 57 -2.128 7.013 -0.135 1.00 0.00 C ATOM 787 O GLY A 57 -1.500 6.392 -0.996 1.00 0.00 O ATOM 0 H GLY A 57 -0.906 7.930 -1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.872 8.906 0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.967 8.962 -0.508 1.00 0.00 H new ATOM 791 N ILE A 58 -2.831 6.421 0.847 1.00 0.00 N ATOM 792 CA ILE A 58 -2.686 5.052 1.234 1.00 0.00 C ATOM 793 C ILE A 58 -3.995 4.827 1.927 1.00 0.00 C ATOM 794 O ILE A 58 -4.886 5.674 1.839 1.00 0.00 O ATOM 795 CB ILE A 58 -1.504 4.788 2.159 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.301 5.884 3.230 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.252 4.575 1.284 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.083 5.586 4.102 1.00 0.00 C ATOM 0 H ILE A 58 -3.532 6.919 1.396 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.477 4.387 0.396 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.706 3.889 2.741 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.176 6.852 2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.191 5.954 3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.610 4.384 1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.410 3.722 0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.070 5.468 0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.034 6.374 4.846 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.222 4.629 4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.809 5.541 3.478 1.00 0.00 H new ATOM 810 N ILE A 59 -4.129 3.672 2.609 1.00 0.00 N ATOM 811 CA ILE A 59 -5.360 3.086 3.051 1.00 0.00 C ATOM 812 C ILE A 59 -5.905 3.794 4.254 1.00 0.00 C ATOM 813 O ILE A 59 -5.321 3.762 5.336 1.00 0.00 O ATOM 814 CB ILE A 59 -5.180 1.609 3.394 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.299 0.962 2.305 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.556 0.912 3.532 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.284 -0.555 2.336 1.00 0.00 C ATOM 0 H ILE A 59 -3.319 3.109 2.869 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.064 3.185 2.225 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.682 1.497 4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.650 1.291 1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.278 1.326 2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.408 -0.140 3.777 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.129 1.392 4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.101 0.993 2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.642 -0.929 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.903 -0.895 3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.297 -0.932 2.193 1.00 0.00 H new ATOM 829 N VAL A 60 -7.089 4.402 4.067 1.00 0.00 N ATOM 830 CA VAL A 60 -8.005 4.800 5.101 1.00 0.00 C ATOM 831 C VAL A 60 -9.027 3.692 5.095 1.00 0.00 C ATOM 832 O VAL A 60 -9.096 2.929 4.131 1.00 0.00 O ATOM 833 CB VAL A 60 -8.568 6.204 4.820 1.00 0.00 C ATOM 834 CG1 VAL A 60 -10.053 6.249 4.385 1.00 0.00 C ATOM 835 CG2 VAL A 60 -8.210 7.131 6.002 1.00 0.00 C ATOM 0 H VAL A 60 -7.432 4.632 3.135 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.561 4.909 6.090 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.081 6.585 3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.350 7.283 4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.181 5.676 3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.675 5.819 5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.604 8.130 5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.646 6.736 6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.126 7.183 6.108 1.00 0.00 H new