USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=10 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 11 ASN : amide:sc= -0.254 K(o=-0.81,f=-4.5!) USER MOD Set 1.2: A 43 HIS : no HD1:sc= -0.557 K(o=-0.81,f=-1.3) USER MOD Set 2.1: A 33 THR OG1 : rot 180:sc= -0.14 USER MOD Set 2.2: A 34 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 8 GLN : amide:sc= -0.031 X(o=-0.031,f=0) USER MOD Set 3.2: A 14 TYR OH : rot 58:sc= 0 USER MOD Set 3.3: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 VAL N :NH3+ 141:sc= -0.0922 (180deg=-0.183) USER MOD Single : A 5 TYR OH : rot -47:sc= 1.29 USER MOD Single : A 12 CYS SG : rot 42:sc= 0.108 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0985 USER MOD Single : A 25 THR OG1 : rot 96:sc= 1.22 USER MOD Single : A 28 LYS NZ :NH3+ -113:sc= 0.276 (180deg=0.201) USER MOD Single : A 36 HIS : no HD1:sc= -0.158 K(o=-0.16,f=-0.69) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.985 K(o=0.98,f=-4.2!) USER MOD Single : A 55 ASN : amide:sc= 0.379 K(o=0.38,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.847 11.127 6.628 1.00 0.00 N ATOM 2 CA VAL A 1 7.376 10.010 5.773 1.00 0.00 C ATOM 3 C VAL A 1 6.450 9.105 6.535 1.00 0.00 C ATOM 4 O VAL A 1 6.431 9.064 7.765 1.00 0.00 O ATOM 5 CB VAL A 1 8.527 9.189 5.189 1.00 0.00 C ATOM 6 CG1 VAL A 1 9.231 10.004 4.087 1.00 0.00 C ATOM 7 CG2 VAL A 1 9.509 8.716 6.285 1.00 0.00 C ATOM 0 H1 VAL A 1 8.849 11.320 6.427 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.284 11.978 6.428 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.739 10.867 7.629 1.00 0.00 H new ATOM 0 HA VAL A 1 6.839 10.467 4.942 1.00 0.00 H new ATOM 0 HB VAL A 1 8.121 8.282 4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 1 10.051 9.420 3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.517 10.242 3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.623 10.928 4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 1 10.312 8.136 5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.931 9.583 6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.978 8.095 7.006 1.00 0.00 H new ATOM 19 N ARG A 2 5.641 8.339 5.785 1.00 0.00 N ATOM 20 CA ARG A 2 4.602 7.495 6.295 1.00 0.00 C ATOM 21 C ARG A 2 5.165 6.104 6.295 1.00 0.00 C ATOM 22 O ARG A 2 6.092 5.797 5.536 1.00 0.00 O ATOM 23 CB ARG A 2 3.358 7.514 5.368 1.00 0.00 C ATOM 24 CG ARG A 2 2.878 8.933 5.002 1.00 0.00 C ATOM 25 CD ARG A 2 2.219 9.024 3.613 1.00 0.00 C ATOM 26 NE ARG A 2 0.768 8.631 3.669 1.00 0.00 N ATOM 27 CZ ARG A 2 -0.235 9.499 4.002 1.00 0.00 C ATOM 28 NH1 ARG A 2 0.026 10.790 4.362 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.530 9.063 3.976 1.00 0.00 N ATOM 0 H ARG A 2 5.714 8.305 4.768 1.00 0.00 H new ATOM 0 HA ARG A 2 4.292 7.833 7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.591 6.971 4.452 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.544 6.980 5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.166 9.272 5.755 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.728 9.615 5.037 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.308 10.041 3.232 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.747 8.375 2.914 1.00 0.00 H new ATOM 0 HE ARG A 2 0.519 7.667 3.447 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.988 11.128 4.387 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.741 11.417 4.606 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.739 8.101 3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.288 9.700 4.222 1.00 0.00 H new ATOM 43 N ASP A 3 4.587 5.214 7.126 1.00 0.00 N ATOM 44 CA ASP A 3 4.844 3.804 7.066 1.00 0.00 C ATOM 45 C ASP A 3 3.426 3.358 7.066 1.00 0.00 C ATOM 46 O ASP A 3 2.648 3.880 7.867 1.00 0.00 O ATOM 47 CB ASP A 3 5.568 3.208 8.300 1.00 0.00 C ATOM 48 CG ASP A 3 6.875 3.957 8.563 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.741 3.984 7.649 1.00 0.00 O ATOM 50 OD2 ASP A 3 7.028 4.508 9.685 1.00 0.00 O ATOM 0 H ASP A 3 3.926 5.480 7.856 1.00 0.00 H new ATOM 0 HA ASP A 3 5.497 3.511 6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.922 3.273 9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.774 2.151 8.133 1.00 0.00 H new ATOM 55 N GLY A 4 3.016 2.497 6.115 1.00 0.00 N ATOM 56 CA GLY A 4 1.638 2.110 6.067 1.00 0.00 C ATOM 57 C GLY A 4 1.557 0.871 5.259 1.00 0.00 C ATOM 58 O GLY A 4 2.549 0.432 4.677 1.00 0.00 O ATOM 0 H GLY A 4 3.615 2.081 5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.251 1.940 7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.032 2.899 5.622 1.00 0.00 H new ATOM 62 N TYR A 5 0.330 0.334 5.132 1.00 0.00 N ATOM 63 CA TYR A 5 -0.019 -0.651 4.147 1.00 0.00 C ATOM 64 C TYR A 5 -0.223 0.144 2.895 1.00 0.00 C ATOM 65 O TYR A 5 -0.929 1.144 2.961 1.00 0.00 O ATOM 66 CB TYR A 5 -1.368 -1.298 4.503 1.00 0.00 C ATOM 67 CG TYR A 5 -1.213 -2.237 5.651 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.855 -3.568 5.410 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.453 -1.814 6.971 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.784 -4.477 6.468 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.382 -2.725 8.031 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.071 -4.066 7.777 1.00 0.00 C ATOM 73 OH TYR A 5 -1.136 -5.020 8.815 1.00 0.00 O ATOM 0 H TYR A 5 -0.450 0.593 5.736 1.00 0.00 H new ATOM 0 HA TYR A 5 0.737 -1.432 4.067 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.093 -0.524 4.754 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.760 -1.834 3.638 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.633 -3.893 4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.694 -0.780 7.168 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.506 -5.503 6.276 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.567 -2.394 9.042 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.674 -5.785 8.523 1.00 0.00 H new ATOM 83 N ILE A 6 0.416 -0.197 1.755 1.00 0.00 N ATOM 84 CA ILE A 6 0.211 0.542 0.531 1.00 0.00 C ATOM 85 C ILE A 6 -0.917 -0.103 -0.248 1.00 0.00 C ATOM 86 O ILE A 6 -1.130 -1.327 -0.209 1.00 0.00 O ATOM 87 CB ILE A 6 1.484 0.842 -0.275 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.313 2.012 -1.279 1.00 0.00 C ATOM 89 CG2 ILE A 6 2.017 -0.426 -0.946 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.588 2.409 -2.027 1.00 0.00 C ATOM 0 H ILE A 6 1.069 -0.976 1.676 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.097 1.554 0.792 1.00 0.00 H new ATOM 0 HB ILE A 6 2.234 1.184 0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.551 1.737 -2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.939 2.883 -0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.918 -0.188 -1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.252 -1.169 -0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.261 -0.825 -1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.370 3.234 -2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.348 2.720 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.955 1.557 -2.599 1.00 0.00 H new ATOM 102 N ALA A 7 -1.638 0.785 -0.963 1.00 0.00 N ATOM 103 CA ALA A 7 -2.671 0.519 -1.909 1.00 0.00 C ATOM 104 C ALA A 7 -2.372 1.431 -3.059 1.00 0.00 C ATOM 105 O ALA A 7 -1.247 1.490 -3.548 1.00 0.00 O ATOM 106 CB ALA A 7 -4.052 0.908 -1.363 1.00 0.00 C ATOM 0 H ALA A 7 -1.475 1.787 -0.863 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.696 -0.541 -2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.814 0.691 -2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.260 0.337 -0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.065 1.973 -1.131 1.00 0.00 H new ATOM 112 N GLN A 8 -3.396 2.196 -3.481 1.00 0.00 N ATOM 113 CA GLN A 8 -3.396 3.196 -4.495 1.00 0.00 C ATOM 114 C GLN A 8 -4.279 4.179 -3.766 1.00 0.00 C ATOM 115 O GLN A 8 -5.061 3.662 -2.959 1.00 0.00 O ATOM 116 CB GLN A 8 -4.109 2.706 -5.780 1.00 0.00 C ATOM 117 CG GLN A 8 -3.338 1.562 -6.471 1.00 0.00 C ATOM 118 CD GLN A 8 -4.235 0.755 -7.416 1.00 0.00 C ATOM 119 OE1 GLN A 8 -3.994 0.701 -8.629 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.272 0.087 -6.826 1.00 0.00 N ATOM 0 H GLN A 8 -4.321 2.098 -3.062 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.419 3.539 -4.837 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.114 2.366 -5.529 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.219 3.540 -6.474 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.500 1.976 -7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.918 0.899 -5.715 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.424 0.168 -5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.893 -0.492 -7.391 1.00 0.00 H new ATOM 129 N PRO A 9 -4.235 5.500 -3.941 1.00 0.00 N ATOM 130 CA PRO A 9 -4.753 6.451 -2.950 1.00 0.00 C ATOM 131 C PRO A 9 -6.257 6.593 -2.851 1.00 0.00 C ATOM 132 O PRO A 9 -6.708 7.708 -2.596 1.00 0.00 O ATOM 133 CB PRO A 9 -4.209 7.807 -3.435 1.00 0.00 C ATOM 134 CG PRO A 9 -2.910 7.461 -4.157 1.00 0.00 C ATOM 135 CD PRO A 9 -3.269 6.145 -4.842 1.00 0.00 C ATOM 0 HA PRO A 9 -4.447 6.102 -1.964 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.914 8.302 -4.102 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.031 8.485 -2.600 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.625 8.230 -4.875 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.076 7.346 -3.464 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.702 6.318 -5.827 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.387 5.522 -4.987 1.00 0.00 H new ATOM 143 N GLU A 10 -7.051 5.524 -3.037 1.00 0.00 N ATOM 144 CA GLU A 10 -8.479 5.625 -3.173 1.00 0.00 C ATOM 145 C GLU A 10 -9.097 4.740 -2.136 1.00 0.00 C ATOM 146 O GLU A 10 -10.166 4.183 -2.371 1.00 0.00 O ATOM 147 CB GLU A 10 -8.938 5.149 -4.571 1.00 0.00 C ATOM 148 CG GLU A 10 -8.269 5.897 -5.741 1.00 0.00 C ATOM 149 CD GLU A 10 -8.674 7.371 -5.724 1.00 0.00 C ATOM 150 OE1 GLU A 10 -9.897 7.647 -5.839 1.00 0.00 O ATOM 151 OE2 GLU A 10 -7.768 8.237 -5.597 1.00 0.00 O ATOM 0 H GLU A 10 -6.699 4.568 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.783 6.664 -3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.728 4.084 -4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.019 5.269 -4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.185 5.809 -5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.561 5.443 -6.688 1.00 0.00 H new ATOM 158 N ASN A 11 -8.422 4.617 -0.966 1.00 0.00 N ATOM 159 CA ASN A 11 -8.722 3.761 0.171 1.00 0.00 C ATOM 160 C ASN A 11 -8.982 2.353 -0.238 1.00 0.00 C ATOM 161 O ASN A 11 -10.038 1.779 0.016 1.00 0.00 O ATOM 162 CB ASN A 11 -9.828 4.260 1.136 1.00 0.00 C ATOM 163 CG ASN A 11 -9.560 3.762 2.564 1.00 0.00 C ATOM 164 OD1 ASN A 11 -9.095 2.638 2.778 1.00 0.00 O ATOM 165 ND2 ASN A 11 -9.845 4.642 3.568 1.00 0.00 N ATOM 0 H ASN A 11 -7.582 5.170 -0.796 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.803 3.808 0.756 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.864 5.349 1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.802 3.905 0.797 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.675 4.380 4.539 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.228 5.561 3.347 1.00 0.00 H new ATOM 172 N CYS A 12 -7.983 1.764 -0.903 1.00 0.00 N ATOM 173 CA CYS A 12 -8.095 0.406 -1.360 1.00 0.00 C ATOM 174 C CYS A 12 -7.026 -0.295 -0.610 1.00 0.00 C ATOM 175 O CYS A 12 -6.549 0.214 0.397 1.00 0.00 O ATOM 176 CB CYS A 12 -7.910 0.276 -2.888 1.00 0.00 C ATOM 177 SG CYS A 12 -9.273 1.082 -3.770 1.00 0.00 S ATOM 0 H CYS A 12 -7.098 2.218 -1.128 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.086 -0.012 -1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.962 0.726 -3.184 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.863 -0.777 -3.165 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.549 2.217 -3.198 1.00 0.00 H new ATOM 182 N VAL A 13 -6.615 -1.466 -1.107 1.00 0.00 N ATOM 183 CA VAL A 13 -5.490 -2.220 -0.672 1.00 0.00 C ATOM 184 C VAL A 13 -4.970 -2.525 -2.032 1.00 0.00 C ATOM 185 O VAL A 13 -5.669 -2.289 -3.024 1.00 0.00 O ATOM 186 CB VAL A 13 -5.812 -3.499 0.090 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.981 -3.138 1.575 1.00 0.00 C ATOM 188 CG2 VAL A 13 -7.061 -4.200 -0.485 1.00 0.00 C ATOM 0 H VAL A 13 -7.109 -1.922 -1.874 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.843 -1.710 0.042 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.996 -4.214 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.213 -4.038 2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.056 -2.699 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.794 -2.420 1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.262 -5.109 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.919 -3.531 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.886 -4.456 -1.530 1.00 0.00 H new ATOM 198 N TYR A 14 -3.746 -3.066 -2.098 1.00 0.00 N ATOM 199 CA TYR A 14 -3.243 -3.724 -3.272 1.00 0.00 C ATOM 200 C TYR A 14 -3.526 -5.167 -2.958 1.00 0.00 C ATOM 201 O TYR A 14 -4.428 -5.470 -2.185 1.00 0.00 O ATOM 202 CB TYR A 14 -1.729 -3.418 -3.496 1.00 0.00 C ATOM 203 CG TYR A 14 -1.481 -2.546 -4.705 1.00 0.00 C ATOM 204 CD1 TYR A 14 -2.025 -2.867 -5.964 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.647 -1.420 -4.607 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.783 -2.053 -7.080 1.00 0.00 C ATOM 207 CE2 TYR A 14 -0.390 -0.611 -5.722 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.972 -0.917 -6.958 1.00 0.00 C ATOM 209 OH TYR A 14 -0.756 -0.061 -8.060 1.00 0.00 O ATOM 0 H TYR A 14 -3.085 -3.050 -1.321 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.700 -3.400 -4.207 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.327 -2.926 -2.610 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.187 -4.356 -3.613 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.636 -3.751 -6.071 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.196 -1.174 -3.657 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.222 -2.302 -8.035 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.257 0.249 -5.628 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.616 0.278 -8.385 1.00 0.00 H new ATOM 219 N HIS A 15 -2.776 -6.110 -3.527 1.00 0.00 N ATOM 220 CA HIS A 15 -2.802 -7.462 -3.068 1.00 0.00 C ATOM 221 C HIS A 15 -1.346 -7.712 -3.125 1.00 0.00 C ATOM 222 O HIS A 15 -0.599 -6.862 -3.612 1.00 0.00 O ATOM 223 CB HIS A 15 -3.569 -8.469 -3.956 1.00 0.00 C ATOM 224 CG HIS A 15 -5.048 -8.455 -3.679 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.902 -7.498 -4.155 1.00 0.00 N ATOM 226 CD2 HIS A 15 -5.773 -9.268 -2.873 1.00 0.00 C ATOM 227 CE1 HIS A 15 -7.107 -7.721 -3.648 1.00 0.00 C ATOM 228 NE2 HIS A 15 -7.054 -8.794 -2.869 1.00 0.00 N ATOM 0 H HIS A 15 -2.145 -5.942 -4.311 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.318 -7.591 -2.117 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.395 -8.232 -5.006 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.178 -9.472 -3.786 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.407 -10.130 -2.335 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.988 -7.126 -3.838 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.837 -9.197 -2.354 1.00 0.00 H new ATOM 237 N CYS A 16 -0.912 -8.869 -2.614 1.00 0.00 N ATOM 238 CA CYS A 16 0.458 -9.233 -2.506 1.00 0.00 C ATOM 239 C CYS A 16 0.342 -10.591 -3.075 1.00 0.00 C ATOM 240 O CYS A 16 -0.750 -11.158 -3.067 1.00 0.00 O ATOM 241 CB CYS A 16 0.943 -9.306 -1.029 1.00 0.00 C ATOM 242 SG CYS A 16 2.625 -9.966 -0.780 1.00 0.00 S ATOM 0 H CYS A 16 -1.546 -9.585 -2.259 1.00 0.00 H new ATOM 0 HA CYS A 16 1.163 -8.548 -2.977 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.899 -8.304 -0.602 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.243 -9.924 -0.466 1.00 0.00 H new ATOM 247 N PHE A 17 1.460 -11.138 -3.569 1.00 0.00 N ATOM 248 CA PHE A 17 1.563 -12.514 -3.937 1.00 0.00 C ATOM 249 C PHE A 17 2.529 -12.949 -2.874 1.00 0.00 C ATOM 250 O PHE A 17 3.675 -12.541 -3.035 1.00 0.00 O ATOM 251 CB PHE A 17 2.227 -12.693 -5.324 1.00 0.00 C ATOM 252 CG PHE A 17 1.321 -12.147 -6.391 1.00 0.00 C ATOM 253 CD1 PHE A 17 0.257 -12.925 -6.876 1.00 0.00 C ATOM 254 CD2 PHE A 17 1.500 -10.847 -6.898 1.00 0.00 C ATOM 255 CE1 PHE A 17 -0.616 -12.420 -7.848 1.00 0.00 C ATOM 256 CE2 PHE A 17 0.626 -10.336 -7.867 1.00 0.00 C ATOM 257 CZ PHE A 17 -0.430 -11.124 -8.344 1.00 0.00 C ATOM 0 H PHE A 17 2.320 -10.610 -3.718 1.00 0.00 H new ATOM 0 HA PHE A 17 0.613 -13.044 -4.004 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.187 -12.177 -5.348 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.428 -13.748 -5.509 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.110 -13.925 -6.495 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.317 -10.239 -6.538 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.430 -13.028 -8.214 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.766 -9.335 -8.246 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.100 -10.732 -9.094 1.00 0.00 H new ATOM 267 N PRO A 18 2.175 -13.668 -1.795 1.00 0.00 N ATOM 268 CA PRO A 18 2.914 -13.649 -0.538 1.00 0.00 C ATOM 269 C PRO A 18 4.402 -13.894 -0.612 1.00 0.00 C ATOM 270 O PRO A 18 4.836 -15.043 -0.677 1.00 0.00 O ATOM 271 CB PRO A 18 2.205 -14.730 0.282 1.00 0.00 C ATOM 272 CG PRO A 18 0.731 -14.501 -0.059 1.00 0.00 C ATOM 273 CD PRO A 18 0.775 -14.022 -1.519 1.00 0.00 C ATOM 0 HA PRO A 18 2.896 -12.646 -0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.534 -15.731 0.003 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.395 -14.618 1.349 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.147 -15.415 0.047 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.278 -13.756 0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.431 -14.804 -2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.120 -13.163 -1.666 1.00 0.00 H new ATOM 281 N GLY A 19 5.192 -12.806 -0.588 1.00 0.00 N ATOM 282 CA GLY A 19 6.599 -12.827 -0.797 1.00 0.00 C ATOM 283 C GLY A 19 6.756 -11.373 -1.068 1.00 0.00 C ATOM 284 O GLY A 19 5.793 -10.625 -0.889 1.00 0.00 O ATOM 0 H GLY A 19 4.828 -11.869 -0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.159 -13.166 0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.901 -13.456 -1.634 1.00 0.00 H new ATOM 288 N SER A 20 7.947 -10.922 -1.504 1.00 0.00 N ATOM 289 CA SER A 20 8.180 -9.518 -1.723 1.00 0.00 C ATOM 290 C SER A 20 7.665 -9.086 -3.067 1.00 0.00 C ATOM 291 O SER A 20 7.262 -7.935 -3.232 1.00 0.00 O ATOM 292 CB SER A 20 9.689 -9.193 -1.689 1.00 0.00 C ATOM 293 OG SER A 20 10.258 -9.613 -0.455 1.00 0.00 O ATOM 0 H SER A 20 8.747 -11.521 -1.705 1.00 0.00 H new ATOM 0 HA SER A 20 7.657 -8.990 -0.926 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.193 -9.690 -2.517 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.840 -8.122 -1.821 1.00 0.00 H new ATOM 0 HG SER A 20 11.215 -9.403 -0.448 1.00 0.00 H new ATOM 299 N SER A 21 7.692 -10.004 -4.058 1.00 0.00 N ATOM 300 CA SER A 21 7.807 -9.757 -5.473 1.00 0.00 C ATOM 301 C SER A 21 7.045 -8.578 -6.027 1.00 0.00 C ATOM 302 O SER A 21 7.628 -7.547 -6.379 1.00 0.00 O ATOM 303 CB SER A 21 7.462 -11.059 -6.231 1.00 0.00 C ATOM 304 OG SER A 21 8.042 -12.165 -5.535 1.00 0.00 O ATOM 0 H SER A 21 7.628 -11.001 -3.853 1.00 0.00 H new ATOM 0 HA SER A 21 8.843 -9.459 -5.633 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.381 -11.181 -6.299 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.843 -11.014 -7.251 1.00 0.00 H new ATOM 0 HG SER A 21 7.828 -12.997 -6.007 1.00 0.00 H new ATOM 310 N GLY A 22 5.704 -8.680 -6.098 1.00 0.00 N ATOM 311 CA GLY A 22 4.897 -7.664 -6.734 1.00 0.00 C ATOM 312 C GLY A 22 4.853 -6.414 -5.908 1.00 0.00 C ATOM 313 O GLY A 22 4.985 -5.309 -6.431 1.00 0.00 O ATOM 0 H GLY A 22 5.172 -9.463 -5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.302 -7.438 -7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.885 -8.040 -6.884 1.00 0.00 H new ATOM 317 N CYS A 23 4.671 -6.560 -4.577 1.00 0.00 N ATOM 318 CA CYS A 23 4.475 -5.443 -3.687 1.00 0.00 C ATOM 319 C CYS A 23 5.692 -4.598 -3.574 1.00 0.00 C ATOM 320 O CYS A 23 5.578 -3.378 -3.616 1.00 0.00 O ATOM 321 CB CYS A 23 4.117 -5.869 -2.256 1.00 0.00 C ATOM 322 SG CYS A 23 2.384 -6.354 -2.160 1.00 0.00 S ATOM 0 H CYS A 23 4.659 -7.466 -4.109 1.00 0.00 H new ATOM 0 HA CYS A 23 3.649 -4.890 -4.134 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.751 -6.700 -1.948 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.310 -5.047 -1.566 1.00 0.00 H new ATOM 327 N ASP A 24 6.881 -5.225 -3.435 1.00 0.00 N ATOM 328 CA ASP A 24 8.129 -4.513 -3.277 1.00 0.00 C ATOM 329 C ASP A 24 8.437 -3.759 -4.547 1.00 0.00 C ATOM 330 O ASP A 24 8.925 -2.632 -4.513 1.00 0.00 O ATOM 331 CB ASP A 24 9.294 -5.467 -2.911 1.00 0.00 C ATOM 332 CG ASP A 24 10.554 -4.698 -2.511 1.00 0.00 C ATOM 333 OD1 ASP A 24 10.467 -3.877 -1.558 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.613 -4.920 -3.154 1.00 0.00 O ATOM 0 H ASP A 24 6.982 -6.240 -3.432 1.00 0.00 H new ATOM 0 HA ASP A 24 8.022 -3.810 -2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.988 -6.116 -2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.516 -6.112 -3.761 1.00 0.00 H new ATOM 339 N THR A 25 8.081 -4.343 -5.707 1.00 0.00 N ATOM 340 CA THR A 25 8.207 -3.667 -6.978 1.00 0.00 C ATOM 341 C THR A 25 7.308 -2.441 -7.007 1.00 0.00 C ATOM 342 O THR A 25 7.766 -1.339 -7.314 1.00 0.00 O ATOM 343 CB THR A 25 7.846 -4.577 -8.136 1.00 0.00 C ATOM 344 OG1 THR A 25 8.573 -5.803 -8.059 1.00 0.00 O ATOM 345 CG2 THR A 25 8.172 -3.903 -9.486 1.00 0.00 C ATOM 0 H THR A 25 7.703 -5.288 -5.772 1.00 0.00 H new ATOM 0 HA THR A 25 9.250 -3.369 -7.088 1.00 0.00 H new ATOM 0 HB THR A 25 6.776 -4.775 -8.072 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.019 -6.485 -7.626 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.905 -4.575 -10.302 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.604 -2.977 -9.577 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.238 -3.681 -9.534 1.00 0.00 H new ATOM 353 N LEU A 26 6.008 -2.608 -6.648 1.00 0.00 N ATOM 354 CA LEU A 26 5.029 -1.535 -6.675 1.00 0.00 C ATOM 355 C LEU A 26 5.396 -0.449 -5.703 1.00 0.00 C ATOM 356 O LEU A 26 5.296 0.743 -5.988 1.00 0.00 O ATOM 357 CB LEU A 26 3.608 -2.014 -6.315 1.00 0.00 C ATOM 358 CG LEU A 26 2.969 -2.896 -7.410 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.785 -3.695 -6.842 1.00 0.00 C ATOM 360 CD2 LEU A 26 2.559 -2.075 -8.650 1.00 0.00 C ATOM 0 H LEU A 26 5.627 -3.501 -6.334 1.00 0.00 H new ATOM 0 HA LEU A 26 5.033 -1.163 -7.699 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.646 -2.575 -5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.972 -1.146 -6.139 1.00 0.00 H new ATOM 0 HG LEU A 26 3.726 -3.606 -7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.349 -4.310 -7.630 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.134 -4.336 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.031 -3.006 -6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.114 -2.736 -9.394 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.833 -1.315 -8.360 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.439 -1.592 -9.074 1.00 0.00 H new ATOM 372 N CYS A 27 5.882 -0.864 -4.521 1.00 0.00 N ATOM 373 CA CYS A 27 6.346 -0.011 -3.453 1.00 0.00 C ATOM 374 C CYS A 27 7.443 0.892 -3.951 1.00 0.00 C ATOM 375 O CYS A 27 7.399 2.106 -3.736 1.00 0.00 O ATOM 376 CB CYS A 27 6.874 -0.838 -2.246 1.00 0.00 C ATOM 377 SG CYS A 27 7.164 0.125 -0.739 1.00 0.00 S ATOM 0 H CYS A 27 5.959 -1.854 -4.289 1.00 0.00 H new ATOM 0 HA CYS A 27 5.496 0.584 -3.118 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.158 -1.629 -2.024 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.806 -1.324 -2.536 1.00 0.00 H new ATOM 382 N LYS A 28 8.437 0.320 -4.668 1.00 0.00 N ATOM 383 CA LYS A 28 9.598 1.084 -5.066 1.00 0.00 C ATOM 384 C LYS A 28 9.276 2.033 -6.192 1.00 0.00 C ATOM 385 O LYS A 28 9.821 3.134 -6.241 1.00 0.00 O ATOM 386 CB LYS A 28 10.818 0.214 -5.455 1.00 0.00 C ATOM 387 CG LYS A 28 11.471 -0.443 -4.223 1.00 0.00 C ATOM 388 CD LYS A 28 12.782 -1.180 -4.542 1.00 0.00 C ATOM 389 CE LYS A 28 13.679 -1.415 -3.314 1.00 0.00 C ATOM 390 NZ LYS A 28 13.003 -2.223 -2.273 1.00 0.00 N ATOM 0 H LYS A 28 8.442 -0.654 -4.970 1.00 0.00 H new ATOM 0 HA LYS A 28 9.879 1.650 -4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.504 -0.560 -6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.554 0.831 -5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.668 0.324 -3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.766 -1.147 -3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.545 -2.142 -4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.339 -0.606 -5.282 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.594 -1.919 -3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.973 -0.454 -2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.837 -1.636 -1.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.093 -2.569 -2.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.604 -3.033 -2.018 1.00 0.00 H new ATOM 404 N GLU A 29 8.371 1.645 -7.121 1.00 0.00 N ATOM 405 CA GLU A 29 8.016 2.505 -8.234 1.00 0.00 C ATOM 406 C GLU A 29 7.069 3.598 -7.805 1.00 0.00 C ATOM 407 O GLU A 29 6.989 4.630 -8.469 1.00 0.00 O ATOM 408 CB GLU A 29 7.434 1.764 -9.466 1.00 0.00 C ATOM 409 CG GLU A 29 6.093 1.056 -9.230 1.00 0.00 C ATOM 410 CD GLU A 29 5.708 0.232 -10.458 1.00 0.00 C ATOM 411 OE1 GLU A 29 5.429 0.850 -11.520 1.00 0.00 O ATOM 412 OE2 GLU A 29 5.684 -1.023 -10.349 1.00 0.00 O ATOM 0 H GLU A 29 7.887 0.747 -7.108 1.00 0.00 H new ATOM 0 HA GLU A 29 8.964 2.937 -8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.310 2.482 -10.276 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.162 1.026 -9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.164 0.408 -8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.317 1.792 -9.019 1.00 0.00 H new ATOM 419 N LYS A 30 6.355 3.419 -6.667 1.00 0.00 N ATOM 420 CA LYS A 30 5.607 4.489 -6.044 1.00 0.00 C ATOM 421 C LYS A 30 6.595 5.369 -5.335 1.00 0.00 C ATOM 422 O LYS A 30 6.711 6.555 -5.633 1.00 0.00 O ATOM 423 CB LYS A 30 4.566 3.987 -5.014 1.00 0.00 C ATOM 424 CG LYS A 30 3.294 3.400 -5.649 1.00 0.00 C ATOM 425 CD LYS A 30 2.362 4.466 -6.254 1.00 0.00 C ATOM 426 CE LYS A 30 0.952 3.947 -6.576 1.00 0.00 C ATOM 427 NZ LYS A 30 0.990 2.875 -7.598 1.00 0.00 N ATOM 0 H LYS A 30 6.294 2.528 -6.174 1.00 0.00 H new ATOM 0 HA LYS A 30 5.054 5.015 -6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.030 3.228 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.286 4.815 -4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.579 2.693 -6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.747 2.837 -4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.281 5.301 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.814 4.854 -7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.486 3.568 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.333 4.770 -6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.023 2.547 -7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.413 3.245 -8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.561 2.080 -7.246 1.00 0.00 H new ATOM 441 N GLY A 31 7.350 4.791 -4.384 1.00 0.00 N ATOM 442 CA GLY A 31 8.466 5.469 -3.779 1.00 0.00 C ATOM 443 C GLY A 31 8.408 5.272 -2.304 1.00 0.00 C ATOM 444 O GLY A 31 8.531 6.236 -1.550 1.00 0.00 O ATOM 0 H GLY A 31 7.190 3.848 -4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.404 5.079 -4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.436 6.532 -4.019 1.00 0.00 H new ATOM 448 N GLY A 32 8.223 4.011 -1.855 1.00 0.00 N ATOM 449 CA GLY A 32 8.472 3.619 -0.493 1.00 0.00 C ATOM 450 C GLY A 32 9.717 2.827 -0.635 1.00 0.00 C ATOM 451 O GLY A 32 9.865 2.105 -1.623 1.00 0.00 O ATOM 0 H GLY A 32 7.894 3.249 -2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.606 4.479 0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.655 3.027 -0.081 1.00 0.00 H new ATOM 455 N THR A 33 10.677 2.960 0.303 1.00 0.00 N ATOM 456 CA THR A 33 11.978 2.371 0.117 1.00 0.00 C ATOM 457 C THR A 33 11.894 0.913 0.457 1.00 0.00 C ATOM 458 O THR A 33 12.337 0.049 -0.297 1.00 0.00 O ATOM 459 CB THR A 33 13.051 3.059 0.952 1.00 0.00 C ATOM 460 OG1 THR A 33 12.675 3.188 2.323 1.00 0.00 O ATOM 461 CG2 THR A 33 13.276 4.473 0.376 1.00 0.00 C ATOM 0 H THR A 33 10.559 3.468 1.180 1.00 0.00 H new ATOM 0 HA THR A 33 12.272 2.500 -0.925 1.00 0.00 H new ATOM 0 HB THR A 33 13.954 2.449 0.909 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.394 3.633 2.819 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.041 4.986 0.959 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.601 4.396 -0.662 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.345 5.038 0.424 1.00 0.00 H new ATOM 469 N SER A 34 11.309 0.620 1.632 1.00 0.00 N ATOM 470 CA SER A 34 11.294 -0.707 2.173 1.00 0.00 C ATOM 471 C SER A 34 9.902 -1.144 1.888 1.00 0.00 C ATOM 472 O SER A 34 8.983 -0.332 2.013 1.00 0.00 O ATOM 473 CB SER A 34 11.574 -0.731 3.693 1.00 0.00 C ATOM 474 OG SER A 34 12.536 0.273 4.025 1.00 0.00 O ATOM 0 H SER A 34 10.840 1.312 2.216 1.00 0.00 H new ATOM 0 HA SER A 34 12.066 -1.346 1.744 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.650 -0.559 4.245 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.943 -1.713 3.988 1.00 0.00 H new ATOM 0 HG SER A 34 12.708 0.255 4.990 1.00 0.00 H new ATOM 480 N GLY A 35 9.706 -2.409 1.478 1.00 0.00 N ATOM 481 CA GLY A 35 8.442 -2.821 0.953 1.00 0.00 C ATOM 482 C GLY A 35 8.380 -4.217 1.418 1.00 0.00 C ATOM 483 O GLY A 35 9.414 -4.882 1.489 1.00 0.00 O ATOM 0 H GLY A 35 10.416 -3.141 1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.620 -2.221 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.404 -2.747 -0.134 1.00 0.00 H new ATOM 487 N HIS A 36 7.175 -4.662 1.802 1.00 0.00 N ATOM 488 CA HIS A 36 6.964 -5.939 2.411 1.00 0.00 C ATOM 489 C HIS A 36 5.531 -6.165 2.066 1.00 0.00 C ATOM 490 O HIS A 36 5.011 -5.545 1.137 1.00 0.00 O ATOM 491 CB HIS A 36 7.147 -5.962 3.955 1.00 0.00 C ATOM 492 CG HIS A 36 8.507 -5.505 4.418 1.00 0.00 C ATOM 493 ND1 HIS A 36 8.751 -4.227 4.847 1.00 0.00 N ATOM 494 CD2 HIS A 36 9.676 -6.182 4.504 1.00 0.00 C ATOM 495 CE1 HIS A 36 10.028 -4.135 5.185 1.00 0.00 C ATOM 496 NE2 HIS A 36 10.613 -5.306 4.985 1.00 0.00 N ATOM 0 H HIS A 36 6.319 -4.119 1.687 1.00 0.00 H new ATOM 0 HA HIS A 36 7.679 -6.686 2.066 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.387 -5.327 4.410 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.973 -6.976 4.316 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.839 -7.217 4.243 1.00 0.00 H new ATOM 0 HE1 HIS A 36 10.514 -3.248 5.563 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.595 -5.520 5.160 1.00 0.00 H new ATOM 505 N CYS A 37 4.816 -7.016 2.818 1.00 0.00 N ATOM 506 CA CYS A 37 3.428 -7.264 2.598 1.00 0.00 C ATOM 507 C CYS A 37 2.993 -7.416 4.000 1.00 0.00 C ATOM 508 O CYS A 37 3.826 -7.358 4.909 1.00 0.00 O ATOM 509 CB CYS A 37 3.093 -8.569 1.840 1.00 0.00 C ATOM 510 SG CYS A 37 3.654 -8.484 0.128 1.00 0.00 S ATOM 0 H CYS A 37 5.211 -7.544 3.596 1.00 0.00 H new ATOM 0 HA CYS A 37 2.967 -6.490 1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.565 -9.415 2.339 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.017 -8.743 1.866 1.00 0.00 H new ATOM 515 N GLY A 38 1.683 -7.614 4.194 1.00 0.00 N ATOM 516 CA GLY A 38 1.096 -7.839 5.466 1.00 0.00 C ATOM 517 C GLY A 38 -0.314 -7.996 5.021 1.00 0.00 C ATOM 518 O GLY A 38 -0.582 -7.969 3.816 1.00 0.00 O ATOM 0 H GLY A 38 1.006 -7.617 3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.486 -8.727 5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.235 -7.003 6.152 1.00 0.00 H new ATOM 522 N PHE A 39 -1.247 -8.152 5.980 1.00 0.00 N ATOM 523 CA PHE A 39 -2.655 -8.264 5.714 1.00 0.00 C ATOM 524 C PHE A 39 -3.200 -7.045 6.395 1.00 0.00 C ATOM 525 O PHE A 39 -2.728 -6.710 7.487 1.00 0.00 O ATOM 526 CB PHE A 39 -3.251 -9.549 6.351 1.00 0.00 C ATOM 527 CG PHE A 39 -4.571 -9.961 5.750 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.778 -9.398 6.197 1.00 0.00 C ATOM 529 CD2 PHE A 39 -4.621 -10.972 4.773 1.00 0.00 C ATOM 530 CE1 PHE A 39 -7.007 -9.848 5.702 1.00 0.00 C ATOM 531 CE2 PHE A 39 -5.848 -11.422 4.271 1.00 0.00 C ATOM 532 CZ PHE A 39 -7.044 -10.865 4.740 1.00 0.00 C ATOM 0 H PHE A 39 -1.017 -8.202 6.973 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.890 -8.329 4.652 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.538 -10.366 6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.382 -9.387 7.421 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.757 -8.607 6.932 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.703 -11.406 4.406 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.927 -9.411 6.062 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.872 -12.199 3.522 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.992 -11.218 4.361 1.00 0.00 H new ATOM 542 N LYS A 40 -4.177 -6.359 5.761 1.00 0.00 N ATOM 543 CA LYS A 40 -4.821 -5.193 6.306 1.00 0.00 C ATOM 544 C LYS A 40 -6.196 -5.680 6.647 1.00 0.00 C ATOM 545 O LYS A 40 -7.094 -5.720 5.804 1.00 0.00 O ATOM 546 CB LYS A 40 -4.907 -4.025 5.294 1.00 0.00 C ATOM 547 CG LYS A 40 -5.685 -2.771 5.749 1.00 0.00 C ATOM 548 CD LYS A 40 -5.139 -2.068 7.006 1.00 0.00 C ATOM 549 CE LYS A 40 -5.906 -2.389 8.298 1.00 0.00 C ATOM 550 NZ LYS A 40 -5.283 -1.720 9.465 1.00 0.00 N ATOM 0 H LYS A 40 -4.530 -6.623 4.841 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.267 -4.792 7.154 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.892 -3.722 5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.369 -4.399 4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.694 -2.054 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.721 -3.056 5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.094 -2.349 7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.161 -0.990 6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.942 -2.066 8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.922 -3.467 8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.819 -1.952 10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.301 -2.047 9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.291 -0.690 9.320 1.00 0.00 H new ATOM 564 N VAL A 41 -6.388 -6.098 7.916 1.00 0.00 N ATOM 565 CA VAL A 41 -7.618 -6.691 8.371 1.00 0.00 C ATOM 566 C VAL A 41 -8.648 -5.594 8.410 1.00 0.00 C ATOM 567 O VAL A 41 -8.481 -4.608 9.122 1.00 0.00 O ATOM 568 CB VAL A 41 -7.512 -7.356 9.739 1.00 0.00 C ATOM 569 CG1 VAL A 41 -8.754 -8.246 9.952 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.209 -8.185 9.836 1.00 0.00 C ATOM 0 H VAL A 41 -5.676 -6.023 8.642 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.890 -7.491 7.682 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.476 -6.597 10.520 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.693 -8.729 10.927 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.654 -7.632 9.907 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.795 -9.007 9.172 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.148 -8.653 10.818 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.210 -8.956 9.066 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.350 -7.530 9.692 1.00 0.00 H new ATOM 580 N GLY A 42 -9.701 -5.729 7.585 1.00 0.00 N ATOM 581 CA GLY A 42 -10.630 -4.658 7.354 1.00 0.00 C ATOM 582 C GLY A 42 -10.889 -4.651 5.889 1.00 0.00 C ATOM 583 O GLY A 42 -12.018 -4.440 5.458 1.00 0.00 O ATOM 0 H GLY A 42 -9.913 -6.585 7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.553 -4.814 7.913 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.216 -3.704 7.682 1.00 0.00 H new ATOM 587 N HIS A 43 -9.836 -4.880 5.074 1.00 0.00 N ATOM 588 CA HIS A 43 -9.971 -4.925 3.638 1.00 0.00 C ATOM 589 C HIS A 43 -9.547 -6.295 3.201 1.00 0.00 C ATOM 590 O HIS A 43 -10.367 -7.076 2.722 1.00 0.00 O ATOM 591 CB HIS A 43 -9.133 -3.853 2.897 1.00 0.00 C ATOM 592 CG HIS A 43 -9.756 -2.474 2.879 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.221 -1.438 2.153 1.00 0.00 N ATOM 594 CD2 HIS A 43 -10.889 -2.005 3.455 1.00 0.00 C ATOM 595 CE1 HIS A 43 -10.012 -0.380 2.283 1.00 0.00 C ATOM 596 NE2 HIS A 43 -11.030 -0.696 3.071 1.00 0.00 N ATOM 0 H HIS A 43 -8.885 -5.035 5.409 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.009 -4.709 3.383 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.151 -3.789 3.366 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.974 -4.180 1.869 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.557 -2.559 4.097 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.852 0.583 1.821 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.789 -0.072 3.345 1.00 0.00 H new ATOM 605 N GLY A 44 -8.257 -6.655 3.345 1.00 0.00 N ATOM 606 CA GLY A 44 -7.812 -7.903 2.803 1.00 0.00 C ATOM 607 C GLY A 44 -6.324 -7.865 2.836 1.00 0.00 C ATOM 608 O GLY A 44 -5.726 -7.070 3.564 1.00 0.00 O ATOM 0 H GLY A 44 -7.543 -6.103 3.820 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.193 -8.739 3.389 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.175 -8.036 1.784 1.00 0.00 H new ATOM 612 N LEU A 45 -5.695 -8.728 2.008 1.00 0.00 N ATOM 613 CA LEU A 45 -4.268 -8.835 1.789 1.00 0.00 C ATOM 614 C LEU A 45 -3.856 -7.570 1.076 1.00 0.00 C ATOM 615 O LEU A 45 -4.630 -7.068 0.266 1.00 0.00 O ATOM 616 CB LEU A 45 -3.993 -10.086 0.910 1.00 0.00 C ATOM 617 CG LEU A 45 -2.529 -10.428 0.542 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.648 -10.806 1.746 1.00 0.00 C ATOM 619 CD2 LEU A 45 -2.510 -11.575 -0.487 1.00 0.00 C ATOM 0 H LEU A 45 -6.218 -9.402 1.449 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.707 -8.947 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.415 -10.950 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.548 -9.965 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.101 -9.517 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.639 -11.031 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.615 -9.973 2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.066 -11.682 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.479 -11.815 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.991 -12.455 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.047 -11.268 -1.384 1.00 0.00 H new ATOM 631 N ALA A 46 -2.672 -6.995 1.379 1.00 0.00 N ATOM 632 CA ALA A 46 -2.353 -5.670 0.927 1.00 0.00 C ATOM 633 C ALA A 46 -0.875 -5.685 0.781 1.00 0.00 C ATOM 634 O ALA A 46 -0.255 -6.719 1.029 1.00 0.00 O ATOM 635 CB ALA A 46 -2.738 -4.598 1.966 1.00 0.00 C ATOM 0 H ALA A 46 -1.942 -7.443 1.932 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.891 -5.426 0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.479 -3.611 1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.810 -4.644 2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.197 -4.780 2.895 1.00 0.00 H new ATOM 641 N CYS A 47 -0.267 -4.538 0.399 1.00 0.00 N ATOM 642 CA CYS A 47 1.169 -4.461 0.300 1.00 0.00 C ATOM 643 C CYS A 47 1.535 -3.631 1.484 1.00 0.00 C ATOM 644 O CYS A 47 0.658 -2.973 2.039 1.00 0.00 O ATOM 645 CB CYS A 47 1.630 -3.719 -0.968 1.00 0.00 C ATOM 646 SG CYS A 47 1.403 -4.631 -2.509 1.00 0.00 S ATOM 0 H CYS A 47 -0.759 -3.677 0.162 1.00 0.00 H new ATOM 0 HA CYS A 47 1.623 -5.451 0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.087 -2.777 -1.037 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.686 -3.471 -0.862 1.00 0.00 H new ATOM 651 N TRP A 48 2.817 -3.619 1.910 1.00 0.00 N ATOM 652 CA TRP A 48 3.239 -2.785 3.012 1.00 0.00 C ATOM 653 C TRP A 48 4.421 -2.031 2.479 1.00 0.00 C ATOM 654 O TRP A 48 5.172 -2.573 1.668 1.00 0.00 O ATOM 655 CB TRP A 48 3.591 -3.603 4.295 1.00 0.00 C ATOM 656 CG TRP A 48 4.283 -2.831 5.409 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.614 -2.544 5.486 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.658 -2.145 6.508 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.863 -1.690 6.523 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.676 -1.422 7.172 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.337 -2.086 6.939 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.380 -0.611 8.264 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.042 -1.279 8.048 1.00 0.00 C ATOM 664 CH2 TRP A 48 3.048 -0.548 8.698 1.00 0.00 C ATOM 0 H TRP A 48 3.561 -4.182 1.497 1.00 0.00 H new ATOM 0 HA TRP A 48 2.439 -2.122 3.341 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.671 -4.030 4.693 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.231 -4.437 4.006 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.367 -2.937 4.819 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.776 -1.313 6.776 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.562 -2.644 6.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.154 -0.047 8.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.025 -1.219 8.407 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.793 0.072 9.545 1.00 0.00 H new ATOM 675 N CYS A 49 4.611 -0.763 2.932 1.00 0.00 N ATOM 676 CA CYS A 49 5.766 0.027 2.586 1.00 0.00 C ATOM 677 C CYS A 49 6.161 0.770 3.824 1.00 0.00 C ATOM 678 O CYS A 49 5.314 1.125 4.644 1.00 0.00 O ATOM 679 CB CYS A 49 5.506 1.142 1.547 1.00 0.00 C ATOM 680 SG CYS A 49 5.283 0.536 -0.137 1.00 0.00 S ATOM 0 H CYS A 49 3.953 -0.283 3.546 1.00 0.00 H new ATOM 0 HA CYS A 49 6.499 -0.668 2.176 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.617 1.700 1.842 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.342 1.842 1.563 1.00 0.00 H new ATOM 685 N ASN A 50 7.469 1.079 3.941 1.00 0.00 N ATOM 686 CA ASN A 50 7.965 2.024 4.907 1.00 0.00 C ATOM 687 C ASN A 50 8.597 3.092 4.070 1.00 0.00 C ATOM 688 O ASN A 50 9.218 2.786 3.050 1.00 0.00 O ATOM 689 CB ASN A 50 9.081 1.516 5.861 1.00 0.00 C ATOM 690 CG ASN A 50 8.554 0.473 6.851 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.369 -0.700 6.510 1.00 0.00 O ATOM 692 ND2 ASN A 50 8.313 0.904 8.124 1.00 0.00 N ATOM 0 H ASN A 50 8.196 0.667 3.356 1.00 0.00 H new ATOM 0 HA ASN A 50 7.132 2.306 5.551 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.891 1.083 5.274 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.501 2.359 6.410 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.969 0.250 8.827 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.477 1.880 8.372 1.00 0.00 H new ATOM 699 N ALA A 51 8.461 4.358 4.525 1.00 0.00 N ATOM 700 CA ALA A 51 9.114 5.538 4.016 1.00 0.00 C ATOM 701 C ALA A 51 8.468 6.000 2.747 1.00 0.00 C ATOM 702 O ALA A 51 9.135 6.187 1.735 1.00 0.00 O ATOM 703 CB ALA A 51 10.645 5.446 3.843 1.00 0.00 C ATOM 0 H ALA A 51 7.846 4.573 5.310 1.00 0.00 H new ATOM 0 HA ALA A 51 8.974 6.278 4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.025 6.391 3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.108 5.238 4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.885 4.644 3.145 1.00 0.00 H new ATOM 709 N LEU A 52 7.139 6.227 2.797 1.00 0.00 N ATOM 710 CA LEU A 52 6.409 6.798 1.687 1.00 0.00 C ATOM 711 C LEU A 52 6.290 8.259 2.007 1.00 0.00 C ATOM 712 O LEU A 52 5.985 8.564 3.159 1.00 0.00 O ATOM 713 CB LEU A 52 4.968 6.257 1.536 1.00 0.00 C ATOM 714 CG LEU A 52 4.900 4.852 0.902 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.529 4.206 1.148 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.208 4.898 -0.605 1.00 0.00 C ATOM 0 H LEU A 52 6.561 6.015 3.610 1.00 0.00 H new ATOM 0 HA LEU A 52 6.938 6.559 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.495 6.227 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.390 6.951 0.925 1.00 0.00 H new ATOM 0 HG LEU A 52 5.664 4.240 1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.506 3.216 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.357 4.115 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.750 4.827 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.151 3.891 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.481 5.538 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.210 5.298 -0.759 1.00 0.00 H new ATOM 728 N PRO A 53 6.504 9.204 1.110 1.00 0.00 N ATOM 729 CA PRO A 53 6.386 10.611 1.434 1.00 0.00 C ATOM 730 C PRO A 53 4.942 11.018 1.565 1.00 0.00 C ATOM 731 O PRO A 53 4.042 10.258 1.215 1.00 0.00 O ATOM 732 CB PRO A 53 7.109 11.332 0.286 1.00 0.00 C ATOM 733 CG PRO A 53 7.102 10.350 -0.894 1.00 0.00 C ATOM 734 CD PRO A 53 7.051 8.973 -0.228 1.00 0.00 C ATOM 0 HA PRO A 53 6.829 10.864 2.397 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.601 12.260 0.025 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.128 11.595 0.570 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.241 10.512 -1.543 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.993 10.462 -1.512 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.423 8.286 -0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.044 8.526 -0.174 1.00 0.00 H new ATOM 742 N ASP A 54 4.722 12.227 2.106 1.00 0.00 N ATOM 743 CA ASP A 54 3.443 12.771 2.510 1.00 0.00 C ATOM 744 C ASP A 54 2.442 12.917 1.396 1.00 0.00 C ATOM 745 O ASP A 54 1.247 13.042 1.644 1.00 0.00 O ATOM 746 CB ASP A 54 3.612 14.193 3.091 1.00 0.00 C ATOM 747 CG ASP A 54 4.453 14.168 4.369 1.00 0.00 C ATOM 748 OD1 ASP A 54 5.682 13.900 4.274 1.00 0.00 O ATOM 749 OD2 ASP A 54 3.877 14.422 5.461 1.00 0.00 O ATOM 0 H ASP A 54 5.487 12.879 2.278 1.00 0.00 H new ATOM 0 HA ASP A 54 3.073 12.047 3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.087 14.838 2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.633 14.621 3.304 1.00 0.00 H new ATOM 754 N ASN A 55 2.911 12.938 0.135 1.00 0.00 N ATOM 755 CA ASN A 55 2.079 13.153 -1.027 1.00 0.00 C ATOM 756 C ASN A 55 1.491 11.853 -1.506 1.00 0.00 C ATOM 757 O ASN A 55 0.732 11.839 -2.474 1.00 0.00 O ATOM 758 CB ASN A 55 2.856 13.808 -2.207 1.00 0.00 C ATOM 759 CG ASN A 55 4.087 12.979 -2.609 1.00 0.00 C ATOM 760 OD1 ASN A 55 4.978 12.780 -1.776 1.00 0.00 O ATOM 761 ND2 ASN A 55 4.131 12.485 -3.878 1.00 0.00 N ATOM 0 H ASN A 55 3.896 12.802 -0.091 1.00 0.00 H new ATOM 0 HA ASN A 55 1.290 13.836 -0.713 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.192 13.913 -3.065 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.171 14.812 -1.922 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.926 11.921 -4.179 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.369 12.679 -4.527 1.00 0.00 H new ATOM 768 N VAL A 56 1.833 10.720 -0.859 1.00 0.00 N ATOM 769 CA VAL A 56 1.287 9.436 -1.217 1.00 0.00 C ATOM 770 C VAL A 56 0.059 9.302 -0.344 1.00 0.00 C ATOM 771 O VAL A 56 -0.105 10.036 0.630 1.00 0.00 O ATOM 772 CB VAL A 56 2.307 8.305 -1.054 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.842 7.027 -1.787 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.662 8.797 -1.618 1.00 0.00 C ATOM 0 H VAL A 56 2.493 10.690 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 56 1.023 9.363 -2.272 1.00 0.00 H new ATOM 0 HB VAL A 56 2.409 8.049 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.585 6.241 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.888 6.698 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.724 7.239 -2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.407 8.009 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.547 9.051 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.987 9.679 -1.066 1.00 0.00 H new ATOM 784 N GLY A 57 -0.857 8.375 -0.675 1.00 0.00 N ATOM 785 CA GLY A 57 -2.047 8.143 0.077 1.00 0.00 C ATOM 786 C GLY A 57 -2.115 6.683 -0.155 1.00 0.00 C ATOM 787 O GLY A 57 -1.514 6.203 -1.120 1.00 0.00 O ATOM 0 H GLY A 57 -0.766 7.769 -1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.950 8.408 1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.913 8.682 -0.309 1.00 0.00 H new ATOM 791 N ILE A 58 -2.759 5.943 0.759 1.00 0.00 N ATOM 792 CA ILE A 58 -2.523 4.539 0.921 1.00 0.00 C ATOM 793 C ILE A 58 -3.879 3.945 1.153 1.00 0.00 C ATOM 794 O ILE A 58 -4.807 4.192 0.381 1.00 0.00 O ATOM 795 CB ILE A 58 -1.486 4.293 2.018 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.744 5.066 3.335 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.094 4.679 1.466 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.829 4.592 4.463 1.00 0.00 C ATOM 0 H ILE A 58 -3.457 6.322 1.399 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.075 4.056 0.053 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.551 3.236 2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.590 6.132 3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.784 4.938 3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.661 4.511 2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.134 4.067 0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.094 5.731 1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.043 5.160 5.368 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.002 3.532 4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.211 4.745 4.176 1.00 0.00 H new ATOM 810 N ILE A 59 -4.049 3.175 2.248 1.00 0.00 N ATOM 811 CA ILE A 59 -5.335 2.701 2.733 1.00 0.00 C ATOM 812 C ILE A 59 -6.023 3.898 3.375 1.00 0.00 C ATOM 813 O ILE A 59 -6.267 3.942 4.579 1.00 0.00 O ATOM 814 CB ILE A 59 -5.264 1.544 3.745 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.091 0.561 3.531 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.629 0.820 3.787 1.00 0.00 C ATOM 817 CD1 ILE A 59 -3.959 -0.092 2.161 1.00 0.00 C ATOM 0 H ILE A 59 -3.267 2.865 2.825 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.881 2.290 1.883 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.049 1.989 4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.164 1.094 3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.177 -0.232 4.274 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.584 -0.001 4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.405 1.523 4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.863 0.426 2.798 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.094 -0.755 2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.859 -0.668 1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.829 0.679 1.401 1.00 0.00 H new ATOM 829 N VAL A 60 -6.300 4.943 2.570 1.00 0.00 N ATOM 830 CA VAL A 60 -6.700 6.236 3.017 1.00 0.00 C ATOM 831 C VAL A 60 -7.456 6.781 1.841 1.00 0.00 C ATOM 832 O VAL A 60 -7.078 6.486 0.707 1.00 0.00 O ATOM 833 CB VAL A 60 -5.475 7.072 3.417 1.00 0.00 C ATOM 834 CG1 VAL A 60 -5.162 8.241 2.460 1.00 0.00 C ATOM 835 CG2 VAL A 60 -5.626 7.475 4.898 1.00 0.00 C ATOM 0 H VAL A 60 -6.240 4.877 1.554 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.317 6.236 3.916 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.580 6.458 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.283 8.778 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.968 7.851 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.013 8.921 2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.765 8.070 5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.536 8.062 5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.684 6.578 5.515 1.00 0.00 H new