USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 476 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 9 CYS SG : rot 150:sc= -3.96 USER MOD Set 1.2: A 62 GLN : amide:sc= -6.51! C(o=-10!,f=-14!) USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 19 ASN : amide:sc= -0.0853 K(o=-0.085,f=-2.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 136:sc= -0.105 (180deg=-0.637) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc=-0.00233 (180deg=-0.1) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 156:sc= 0.66 USER MOD Single : A 15 TYR OH : rot 120:sc= -0.268 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.67 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 35 SER OG : rot -113:sc= 0.184 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 96:sc= 0.212 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.0446 X(o=-0.045,f=-0.44) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.0753 K(o=-0.075,f=-2!) USER MOD Single : A 64 SER OG : rot 42:sc= 0.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.949 -5.182 -0.793 1.00 0.00 N ATOM 2 CA GLY A 1 -12.266 -4.632 -0.363 1.00 0.00 C ATOM 3 C GLY A 1 -12.462 -4.699 1.141 1.00 0.00 C ATOM 4 O GLY A 1 -12.348 -3.684 1.830 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.865 -5.113 -1.827 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.183 -4.638 -0.346 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.879 -6.179 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.348 -3.596 -0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.065 -5.186 -0.855 1.00 0.00 H new ATOM 10 N ALA A 2 -12.760 -5.901 1.644 1.00 0.00 N ATOM 11 CA ALA A 2 -12.971 -6.122 3.076 1.00 0.00 C ATOM 12 C ALA A 2 -14.232 -5.413 3.582 1.00 0.00 C ATOM 13 O ALA A 2 -15.327 -5.957 3.425 1.00 0.00 O ATOM 14 CB ALA A 2 -11.741 -5.688 3.871 1.00 0.00 C ATOM 0 H ALA A 2 -12.861 -6.741 1.075 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.122 -7.191 3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.915 -5.859 4.933 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.876 -6.267 3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.553 -4.628 3.700 1.00 0.00 H new ATOM 20 N MET A 3 -14.120 -4.218 4.183 1.00 0.00 N ATOM 21 CA MET A 3 -15.318 -3.520 4.655 1.00 0.00 C ATOM 22 C MET A 3 -15.603 -2.262 3.823 1.00 0.00 C ATOM 23 O MET A 3 -16.199 -1.305 4.324 1.00 0.00 O ATOM 24 CB MET A 3 -15.169 -3.157 6.137 1.00 0.00 C ATOM 25 CG MET A 3 -16.318 -3.645 7.006 1.00 0.00 C ATOM 26 SD MET A 3 -16.367 -5.442 7.156 1.00 0.00 S ATOM 27 CE MET A 3 -14.834 -5.755 8.031 1.00 0.00 C ATOM 0 H MET A 3 -13.240 -3.730 4.349 1.00 0.00 H new ATOM 0 HA MET A 3 -16.166 -4.194 4.536 1.00 0.00 H new ATOM 0 HB2 MET A 3 -14.237 -3.578 6.513 1.00 0.00 H new ATOM 0 HB3 MET A 3 -15.090 -2.074 6.230 1.00 0.00 H new ATOM 0 HG2 MET A 3 -16.229 -3.204 7.999 1.00 0.00 H new ATOM 0 HG3 MET A 3 -17.260 -3.294 6.585 1.00 0.00 H new ATOM 0 HE1 MET A 3 -15.010 -6.482 8.824 1.00 0.00 H new ATOM 0 HE2 MET A 3 -14.092 -6.148 7.336 1.00 0.00 H new ATOM 0 HE3 MET A 3 -14.467 -4.825 8.466 1.00 0.00 H new ATOM 37 N GLY A 4 -15.190 -2.268 2.552 1.00 0.00 N ATOM 38 CA GLY A 4 -15.422 -1.115 1.696 1.00 0.00 C ATOM 39 C GLY A 4 -14.888 -1.303 0.289 1.00 0.00 C ATOM 40 O GLY A 4 -14.120 -2.229 0.025 1.00 0.00 O ATOM 0 H GLY A 4 -14.703 -3.045 2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.492 -0.915 1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.953 -0.238 2.142 1.00 0.00 H new ATOM 44 N ALA A 5 -15.302 -0.413 -0.619 1.00 0.00 N ATOM 45 CA ALA A 5 -14.912 -0.506 -2.023 1.00 0.00 C ATOM 46 C ALA A 5 -13.806 0.496 -2.385 1.00 0.00 C ATOM 47 O ALA A 5 -12.687 0.379 -1.885 1.00 0.00 O ATOM 48 CB ALA A 5 -16.144 -0.335 -2.906 1.00 0.00 C ATOM 0 H ALA A 5 -15.907 0.379 -0.403 1.00 0.00 H new ATOM 0 HA ALA A 5 -14.489 -1.495 -2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.853 -0.404 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -16.867 -1.118 -2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -16.594 0.640 -2.718 1.00 0.00 H new ATOM 54 N LYS A 6 -14.114 1.461 -3.273 1.00 0.00 N ATOM 55 CA LYS A 6 -13.145 2.477 -3.694 1.00 0.00 C ATOM 56 C LYS A 6 -12.367 3.031 -2.500 1.00 0.00 C ATOM 57 O LYS A 6 -12.915 3.837 -1.744 1.00 0.00 O ATOM 58 CB LYS A 6 -13.863 3.628 -4.409 1.00 0.00 C ATOM 59 CG LYS A 6 -14.662 3.194 -5.629 1.00 0.00 C ATOM 60 CD LYS A 6 -15.238 4.390 -6.371 1.00 0.00 C ATOM 61 CE LYS A 6 -16.228 3.961 -7.444 1.00 0.00 C ATOM 62 NZ LYS A 6 -17.501 3.451 -6.860 1.00 0.00 N ATOM 0 H LYS A 6 -15.031 1.553 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.441 2.001 -4.377 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.534 4.119 -3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.125 4.369 -4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -14.022 2.622 -6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -15.471 2.532 -5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.734 5.054 -5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.429 4.959 -6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -16.443 4.806 -8.098 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.777 3.185 -8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.221 3.378 -7.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -17.340 2.513 -6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -17.832 4.106 -6.123 1.00 0.00 H new ATOM 76 N GLU A 7 -11.112 2.621 -2.303 1.00 0.00 N ATOM 77 CA GLU A 7 -10.358 3.133 -1.162 1.00 0.00 C ATOM 78 C GLU A 7 -8.888 3.378 -1.498 1.00 0.00 C ATOM 79 O GLU A 7 -8.203 2.504 -2.033 1.00 0.00 O ATOM 80 CB GLU A 7 -10.482 2.184 0.034 1.00 0.00 C ATOM 81 CG GLU A 7 -11.891 2.098 0.603 1.00 0.00 C ATOM 82 CD GLU A 7 -11.959 1.280 1.878 1.00 0.00 C ATOM 83 OE1 GLU A 7 -12.139 0.046 1.785 1.00 0.00 O ATOM 84 OE2 GLU A 7 -11.832 1.873 2.971 1.00 0.00 O ATOM 0 H GLU A 7 -10.612 1.959 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.793 4.097 -0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.161 1.188 -0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.802 2.513 0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.260 3.104 0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.553 1.657 -0.142 1.00 0.00 H new ATOM 91 N TYR A 8 -8.419 4.580 -1.175 1.00 0.00 N ATOM 92 CA TYR A 8 -7.032 4.974 -1.418 1.00 0.00 C ATOM 93 C TYR A 8 -6.360 5.392 -0.111 1.00 0.00 C ATOM 94 O TYR A 8 -7.041 5.689 0.873 1.00 0.00 O ATOM 95 CB TYR A 8 -6.973 6.120 -2.434 1.00 0.00 C ATOM 96 CG TYR A 8 -7.924 5.947 -3.601 1.00 0.00 C ATOM 97 CD1 TYR A 8 -7.551 5.224 -4.727 1.00 0.00 C ATOM 98 CD2 TYR A 8 -9.198 6.500 -3.570 1.00 0.00 C ATOM 99 CE1 TYR A 8 -8.420 5.059 -5.789 1.00 0.00 C ATOM 100 CE2 TYR A 8 -10.073 6.339 -4.628 1.00 0.00 C ATOM 101 CZ TYR A 8 -9.680 5.619 -5.734 1.00 0.00 C ATOM 102 OH TYR A 8 -10.550 5.456 -6.789 1.00 0.00 O ATOM 0 H TYR A 8 -8.986 5.307 -0.739 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.496 4.117 -1.827 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.202 7.057 -1.926 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.955 6.204 -2.815 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.566 4.784 -4.773 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.510 7.065 -2.704 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.114 4.495 -6.658 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.060 6.776 -4.587 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.395 5.912 -6.590 1.00 0.00 H new ATOM 112 N CYS A 9 -5.026 5.416 -0.098 1.00 0.00 N ATOM 113 CA CYS A 9 -4.286 5.793 1.106 1.00 0.00 C ATOM 114 C CYS A 9 -3.114 6.716 0.784 1.00 0.00 C ATOM 115 O CYS A 9 -2.485 6.587 -0.268 1.00 0.00 O ATOM 116 CB CYS A 9 -3.760 4.547 1.826 1.00 0.00 C ATOM 117 SG CYS A 9 -5.020 3.306 2.191 1.00 0.00 S ATOM 0 H CYS A 9 -4.441 5.181 -0.900 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.981 6.328 1.754 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.984 4.089 1.213 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.289 4.854 2.760 1.00 0.00 H new ATOM 0 HG CYS A 9 -4.479 2.124 2.187 1.00 0.00 H new ATOM 123 N ARG A 10 -2.820 7.641 1.695 1.00 0.00 N ATOM 124 CA ARG A 10 -1.701 8.562 1.521 1.00 0.00 C ATOM 125 C ARG A 10 -0.532 8.100 2.383 1.00 0.00 C ATOM 126 O ARG A 10 -0.705 7.837 3.573 1.00 0.00 O ATOM 127 CB ARG A 10 -2.101 9.992 1.887 1.00 0.00 C ATOM 128 CG ARG A 10 -1.071 11.030 1.468 1.00 0.00 C ATOM 129 CD ARG A 10 -1.598 12.447 1.628 1.00 0.00 C ATOM 130 NE ARG A 10 -1.723 12.838 3.033 1.00 0.00 N ATOM 131 CZ ARG A 10 -1.600 14.093 3.475 1.00 0.00 C ATOM 132 NH1 ARG A 10 -1.348 15.089 2.627 1.00 0.00 N ATOM 133 NH2 ARG A 10 -1.729 14.354 4.771 1.00 0.00 N ATOM 0 H ARG A 10 -3.342 7.772 2.561 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.405 8.561 0.472 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.056 10.227 1.416 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.253 10.055 2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.168 10.908 2.067 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.789 10.863 0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.929 13.141 1.118 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.571 12.527 1.143 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.916 12.107 3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.247 14.897 1.630 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.256 16.044 2.974 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.922 13.597 5.427 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.635 15.311 5.110 1.00 0.00 H new ATOM 147 N THR A 11 0.658 8.022 1.793 1.00 0.00 N ATOM 148 CA THR A 11 1.838 7.560 2.520 1.00 0.00 C ATOM 149 C THR A 11 2.325 8.597 3.530 1.00 0.00 C ATOM 150 O THR A 11 2.754 9.690 3.155 1.00 0.00 O ATOM 151 CB THR A 11 2.988 7.189 1.562 1.00 0.00 C ATOM 152 OG1 THR A 11 3.260 8.275 0.667 1.00 0.00 O ATOM 153 CG2 THR A 11 2.639 5.942 0.762 1.00 0.00 C ATOM 0 H THR A 11 0.831 8.271 0.819 1.00 0.00 H new ATOM 0 HA THR A 11 1.533 6.665 3.063 1.00 0.00 H new ATOM 0 HB THR A 11 3.876 6.986 2.160 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.183 8.209 0.343 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.463 5.697 0.092 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.465 5.109 1.444 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.738 6.126 0.177 1.00 0.00 H new ATOM 161 N LEU A 12 2.254 8.245 4.817 1.00 0.00 N ATOM 162 CA LEU A 12 2.693 9.143 5.883 1.00 0.00 C ATOM 163 C LEU A 12 4.221 9.154 5.998 1.00 0.00 C ATOM 164 O LEU A 12 4.794 10.091 6.554 1.00 0.00 O ATOM 165 CB LEU A 12 2.080 8.717 7.224 1.00 0.00 C ATOM 166 CG LEU A 12 0.551 8.619 7.249 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.073 8.098 8.596 1.00 0.00 C ATOM 168 CD2 LEU A 12 -0.076 9.972 6.945 1.00 0.00 C ATOM 0 H LEU A 12 1.897 7.347 5.143 1.00 0.00 H new ATOM 0 HA LEU A 12 2.355 10.149 5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.493 7.747 7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.394 9.427 7.989 1.00 0.00 H new ATOM 0 HG LEU A 12 0.238 7.915 6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.015 8.035 8.596 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.494 7.108 8.774 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.397 8.777 9.385 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.162 9.883 6.967 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.244 10.698 7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.241 10.306 5.957 1.00 0.00 H new ATOM 180 N PHE A 13 4.875 8.109 5.465 1.00 0.00 N ATOM 181 CA PHE A 13 6.334 7.982 5.526 1.00 0.00 C ATOM 182 C PHE A 13 6.842 7.152 4.342 1.00 0.00 C ATOM 183 O PHE A 13 6.061 6.452 3.693 1.00 0.00 O ATOM 184 CB PHE A 13 6.758 7.318 6.843 1.00 0.00 C ATOM 185 CG PHE A 13 6.340 8.079 8.071 1.00 0.00 C ATOM 186 CD1 PHE A 13 7.074 9.167 8.513 1.00 0.00 C ATOM 187 CD2 PHE A 13 5.210 7.703 8.780 1.00 0.00 C ATOM 188 CE1 PHE A 13 6.689 9.868 9.641 1.00 0.00 C ATOM 189 CE2 PHE A 13 4.820 8.401 9.908 1.00 0.00 C ATOM 190 CZ PHE A 13 5.560 9.484 10.339 1.00 0.00 C ATOM 0 H PHE A 13 4.410 7.338 4.985 1.00 0.00 H new ATOM 0 HA PHE A 13 6.770 8.980 5.477 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.333 6.315 6.886 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.842 7.205 6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.957 9.471 7.971 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.628 6.856 8.448 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.270 10.715 9.976 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.937 8.099 10.452 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.257 10.030 11.220 1.00 0.00 H new ATOM 200 N PRO A 14 8.155 7.214 4.040 1.00 0.00 N ATOM 201 CA PRO A 14 8.738 6.463 2.924 1.00 0.00 C ATOM 202 C PRO A 14 9.011 5.000 3.283 1.00 0.00 C ATOM 203 O PRO A 14 9.282 4.667 4.438 1.00 0.00 O ATOM 204 CB PRO A 14 10.044 7.208 2.660 1.00 0.00 C ATOM 205 CG PRO A 14 10.446 7.747 3.991 1.00 0.00 C ATOM 206 CD PRO A 14 9.169 8.021 4.749 1.00 0.00 C ATOM 0 HA PRO A 14 8.072 6.416 2.062 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.806 6.541 2.256 1.00 0.00 H new ATOM 0 HB3 PRO A 14 9.904 8.009 1.934 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.069 7.031 4.527 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.033 8.658 3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.254 7.726 5.795 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.916 9.081 4.736 1.00 0.00 H new ATOM 214 N TYR A 15 8.935 4.138 2.270 1.00 0.00 N ATOM 215 CA TYR A 15 9.157 2.703 2.441 1.00 0.00 C ATOM 216 C TYR A 15 9.885 2.119 1.231 1.00 0.00 C ATOM 217 O TYR A 15 9.469 2.322 0.089 1.00 0.00 O ATOM 218 CB TYR A 15 7.819 1.988 2.649 1.00 0.00 C ATOM 219 CG TYR A 15 7.941 0.496 2.869 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.168 -0.023 4.138 1.00 0.00 C ATOM 221 CD2 TYR A 15 7.822 -0.394 1.808 1.00 0.00 C ATOM 222 CE1 TYR A 15 8.274 -1.384 4.343 1.00 0.00 C ATOM 223 CE2 TYR A 15 7.927 -1.757 2.005 1.00 0.00 C ATOM 224 CZ TYR A 15 8.152 -2.248 3.274 1.00 0.00 C ATOM 225 OH TYR A 15 8.254 -3.606 3.475 1.00 0.00 O ATOM 0 H TYR A 15 8.719 4.413 1.312 1.00 0.00 H new ATOM 0 HA TYR A 15 9.782 2.552 3.321 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.313 2.430 3.507 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.186 2.165 1.779 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.263 0.650 4.978 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.644 -0.013 0.813 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.452 -1.771 5.336 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.833 -2.435 1.169 1.00 0.00 H new ATOM 0 HH TYR A 15 7.422 -4.041 3.195 1.00 0.00 H new ATOM 235 N THR A 16 10.970 1.385 1.490 1.00 0.00 N ATOM 236 CA THR A 16 11.753 0.770 0.421 1.00 0.00 C ATOM 237 C THR A 16 11.578 -0.746 0.424 1.00 0.00 C ATOM 238 O THR A 16 11.683 -1.389 1.472 1.00 0.00 O ATOM 239 CB THR A 16 13.255 1.097 0.557 1.00 0.00 C ATOM 240 OG1 THR A 16 13.451 2.517 0.620 1.00 0.00 O ATOM 241 CG2 THR A 16 14.044 0.523 -0.613 1.00 0.00 C ATOM 0 H THR A 16 11.324 1.204 2.429 1.00 0.00 H new ATOM 0 HA THR A 16 11.384 1.182 -0.518 1.00 0.00 H new ATOM 0 HB THR A 16 13.617 0.642 1.479 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.407 2.712 0.708 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.100 0.767 -0.494 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.922 -0.560 -0.638 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.675 0.951 -1.545 1.00 0.00 H new ATOM 249 N GLY A 17 11.311 -1.314 -0.751 1.00 0.00 N ATOM 250 CA GLY A 17 11.141 -2.750 -0.862 1.00 0.00 C ATOM 251 C GLY A 17 12.471 -3.485 -0.886 1.00 0.00 C ATOM 252 O GLY A 17 13.396 -3.074 -1.589 1.00 0.00 O ATOM 0 H GLY A 17 11.210 -0.803 -1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.544 -3.109 -0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.585 -2.979 -1.771 1.00 0.00 H new ATOM 256 N THR A 18 12.567 -4.569 -0.119 1.00 0.00 N ATOM 257 CA THR A 18 13.796 -5.361 -0.054 1.00 0.00 C ATOM 258 C THR A 18 13.780 -6.504 -1.072 1.00 0.00 C ATOM 259 O THR A 18 14.828 -6.947 -1.544 1.00 0.00 O ATOM 260 CB THR A 18 14.022 -5.940 1.358 1.00 0.00 C ATOM 261 OG1 THR A 18 12.866 -6.676 1.781 1.00 0.00 O ATOM 262 CG2 THR A 18 14.316 -4.829 2.356 1.00 0.00 C ATOM 0 H THR A 18 11.809 -4.920 0.467 1.00 0.00 H new ATOM 0 HA THR A 18 14.616 -4.684 -0.294 1.00 0.00 H new ATOM 0 HB THR A 18 14.881 -6.610 1.318 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.020 -7.041 2.678 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.472 -5.260 3.345 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.213 -4.292 2.049 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.474 -4.138 2.390 1.00 0.00 H new ATOM 270 N ASN A 19 12.570 -6.971 -1.398 1.00 0.00 N ATOM 271 CA ASN A 19 12.365 -8.044 -2.369 1.00 0.00 C ATOM 272 C ASN A 19 11.451 -7.561 -3.495 1.00 0.00 C ATOM 273 O ASN A 19 10.761 -6.547 -3.356 1.00 0.00 O ATOM 274 CB ASN A 19 11.766 -9.280 -1.686 1.00 0.00 C ATOM 275 CG ASN A 19 10.583 -8.949 -0.792 1.00 0.00 C ATOM 276 OD1 ASN A 19 9.436 -8.941 -1.238 1.00 0.00 O ATOM 277 ND2 ASN A 19 10.858 -8.674 0.480 1.00 0.00 N ATOM 0 H ASN A 19 11.705 -6.613 -0.993 1.00 0.00 H new ATOM 0 HA ASN A 19 13.330 -8.322 -2.793 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.450 -9.992 -2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.538 -9.770 -1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.103 -8.445 1.127 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.824 -8.692 0.808 1.00 0.00 H new ATOM 284 N GLU A 20 11.450 -8.292 -4.613 1.00 0.00 N ATOM 285 CA GLU A 20 10.633 -7.927 -5.775 1.00 0.00 C ATOM 286 C GLU A 20 9.130 -8.043 -5.490 1.00 0.00 C ATOM 287 O GLU A 20 8.315 -7.496 -6.236 1.00 0.00 O ATOM 288 CB GLU A 20 11.006 -8.784 -6.988 1.00 0.00 C ATOM 289 CG GLU A 20 10.836 -10.280 -6.760 1.00 0.00 C ATOM 290 CD GLU A 20 10.927 -11.082 -8.044 1.00 0.00 C ATOM 291 OE1 GLU A 20 12.060 -11.332 -8.509 1.00 0.00 O ATOM 292 OE2 GLU A 20 9.867 -11.461 -8.584 1.00 0.00 O ATOM 0 H GLU A 20 12.005 -9.139 -4.739 1.00 0.00 H new ATOM 0 HA GLU A 20 10.845 -6.881 -5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.391 -8.483 -7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.043 -8.583 -7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.601 -10.627 -6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.870 -10.464 -6.289 1.00 0.00 H new ATOM 299 N ASP A 21 8.764 -8.746 -4.414 1.00 0.00 N ATOM 300 CA ASP A 21 7.358 -8.911 -4.045 1.00 0.00 C ATOM 301 C ASP A 21 6.900 -7.789 -3.099 1.00 0.00 C ATOM 302 O ASP A 21 5.746 -7.775 -2.662 1.00 0.00 O ATOM 303 CB ASP A 21 7.137 -10.280 -3.390 1.00 0.00 C ATOM 304 CG ASP A 21 7.494 -11.432 -4.311 1.00 0.00 C ATOM 305 OD1 ASP A 21 8.672 -11.851 -4.310 1.00 0.00 O ATOM 306 OD2 ASP A 21 6.598 -11.915 -5.035 1.00 0.00 O ATOM 0 H ASP A 21 9.421 -9.208 -3.786 1.00 0.00 H new ATOM 0 HA ASP A 21 6.760 -8.853 -4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.737 -10.346 -2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.093 -10.370 -3.089 1.00 0.00 H new ATOM 311 N GLU A 22 7.802 -6.846 -2.792 1.00 0.00 N ATOM 312 CA GLU A 22 7.486 -5.717 -1.922 1.00 0.00 C ATOM 313 C GLU A 22 7.420 -4.422 -2.735 1.00 0.00 C ATOM 314 O GLU A 22 8.168 -4.253 -3.701 1.00 0.00 O ATOM 315 CB GLU A 22 8.553 -5.593 -0.829 1.00 0.00 C ATOM 316 CG GLU A 22 7.986 -5.457 0.575 1.00 0.00 C ATOM 317 CD GLU A 22 9.010 -5.784 1.645 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.005 -5.036 1.768 1.00 0.00 O ATOM 319 OE2 GLU A 22 8.818 -6.789 2.362 1.00 0.00 O ATOM 0 H GLU A 22 8.761 -6.848 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 22 6.514 -5.889 -1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.200 -6.470 -0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.179 -4.726 -1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.624 -4.439 0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.127 -6.119 0.683 1.00 0.00 H new ATOM 326 N LEU A 23 6.526 -3.512 -2.344 1.00 0.00 N ATOM 327 CA LEU A 23 6.379 -2.234 -3.047 1.00 0.00 C ATOM 328 C LEU A 23 7.354 -1.188 -2.496 1.00 0.00 C ATOM 329 O LEU A 23 7.816 -1.299 -1.357 1.00 0.00 O ATOM 330 CB LEU A 23 4.936 -1.719 -2.946 1.00 0.00 C ATOM 331 CG LEU A 23 4.251 -1.423 -4.287 1.00 0.00 C ATOM 332 CD1 LEU A 23 3.699 -2.697 -4.903 1.00 0.00 C ATOM 333 CD2 LEU A 23 3.146 -0.390 -4.108 1.00 0.00 C ATOM 0 H LEU A 23 5.897 -3.633 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 23 6.615 -2.404 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.341 -2.457 -2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.933 -0.809 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 23 4.997 -1.013 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.218 -2.463 -5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.513 -3.402 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.969 -3.142 -4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.672 -0.193 -5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.402 -0.771 -3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.572 0.534 -3.718 1.00 0.00 H new ATOM 345 N THR A 24 7.663 -0.173 -3.308 1.00 0.00 N ATOM 346 CA THR A 24 8.576 0.896 -2.896 1.00 0.00 C ATOM 347 C THR A 24 7.949 2.261 -3.176 1.00 0.00 C ATOM 348 O THR A 24 7.305 2.450 -4.210 1.00 0.00 O ATOM 349 CB THR A 24 9.932 0.797 -3.627 1.00 0.00 C ATOM 350 OG1 THR A 24 10.523 -0.488 -3.394 1.00 0.00 O ATOM 351 CG2 THR A 24 10.887 1.888 -3.164 1.00 0.00 C ATOM 0 H THR A 24 7.295 -0.069 -4.253 1.00 0.00 H new ATOM 0 HA THR A 24 8.753 0.783 -1.826 1.00 0.00 H new ATOM 0 HB THR A 24 9.749 0.928 -4.694 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.382 -0.543 -3.863 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.834 1.793 -3.696 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.451 2.865 -3.371 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.061 1.788 -2.093 1.00 0.00 H new ATOM 359 N PHE A 25 8.139 3.214 -2.260 1.00 0.00 N ATOM 360 CA PHE A 25 7.580 4.555 -2.429 1.00 0.00 C ATOM 361 C PHE A 25 8.175 5.547 -1.425 1.00 0.00 C ATOM 362 O PHE A 25 8.838 5.152 -0.465 1.00 0.00 O ATOM 363 CB PHE A 25 6.056 4.509 -2.258 1.00 0.00 C ATOM 364 CG PHE A 25 5.611 3.798 -1.008 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.601 4.455 0.213 1.00 0.00 C ATOM 366 CD2 PHE A 25 5.206 2.474 -1.057 1.00 0.00 C ATOM 367 CE1 PHE A 25 5.195 3.802 1.361 1.00 0.00 C ATOM 368 CE2 PHE A 25 4.799 1.816 0.087 1.00 0.00 C ATOM 369 CZ PHE A 25 4.793 2.482 1.298 1.00 0.00 C ATOM 0 H PHE A 25 8.672 3.082 -1.400 1.00 0.00 H new ATOM 0 HA PHE A 25 7.833 4.895 -3.433 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.669 5.528 -2.243 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.616 4.014 -3.124 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.914 5.487 0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.209 1.950 -2.001 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.192 4.323 2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.486 0.784 0.035 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.474 1.971 2.194 1.00 0.00 H new ATOM 379 N ARG A 26 7.927 6.836 -1.658 1.00 0.00 N ATOM 380 CA ARG A 26 8.399 7.892 -0.762 1.00 0.00 C ATOM 381 C ARG A 26 7.210 8.488 -0.013 1.00 0.00 C ATOM 382 O ARG A 26 6.060 8.269 -0.401 1.00 0.00 O ATOM 383 CB ARG A 26 9.125 8.982 -1.551 1.00 0.00 C ATOM 384 CG ARG A 26 10.619 8.742 -1.688 1.00 0.00 C ATOM 385 CD ARG A 26 11.143 9.225 -3.029 1.00 0.00 C ATOM 386 NE ARG A 26 10.769 8.322 -4.118 1.00 0.00 N ATOM 387 CZ ARG A 26 11.466 7.236 -4.464 1.00 0.00 C ATOM 388 NH1 ARG A 26 12.576 6.906 -3.806 1.00 0.00 N ATOM 389 NH2 ARG A 26 11.050 6.475 -5.470 1.00 0.00 N ATOM 0 H ARG A 26 7.400 7.175 -2.463 1.00 0.00 H new ATOM 0 HA ARG A 26 9.102 7.464 -0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.684 9.053 -2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.963 9.942 -1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.146 9.257 -0.884 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.829 7.678 -1.577 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.753 10.222 -3.234 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.229 9.311 -2.985 1.00 0.00 H new ATOM 0 HE ARG A 26 9.923 8.535 -4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.900 7.484 -3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.102 6.075 -4.077 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.200 6.720 -5.977 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.581 5.646 -5.735 1.00 0.00 H new ATOM 403 N GLU A 27 7.473 9.244 1.056 1.00 0.00 N ATOM 404 CA GLU A 27 6.399 9.856 1.836 1.00 0.00 C ATOM 405 C GLU A 27 5.669 10.926 1.025 1.00 0.00 C ATOM 406 O GLU A 27 6.295 11.811 0.438 1.00 0.00 O ATOM 407 CB GLU A 27 6.970 10.463 3.124 1.00 0.00 C ATOM 408 CG GLU A 27 5.926 11.091 4.038 1.00 0.00 C ATOM 409 CD GLU A 27 5.511 12.484 3.600 1.00 0.00 C ATOM 410 OE1 GLU A 27 6.386 13.373 3.535 1.00 0.00 O ATOM 411 OE2 GLU A 27 4.309 12.688 3.329 1.00 0.00 O ATOM 0 H GLU A 27 8.413 9.445 1.398 1.00 0.00 H new ATOM 0 HA GLU A 27 5.678 9.080 2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.498 9.685 3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.707 11.221 2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.046 10.449 4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.322 11.138 5.053 1.00 0.00 H new ATOM 418 N GLY A 28 4.339 10.832 0.996 1.00 0.00 N ATOM 419 CA GLY A 28 3.536 11.786 0.252 1.00 0.00 C ATOM 420 C GLY A 28 3.231 11.289 -1.144 1.00 0.00 C ATOM 421 O GLY A 28 3.668 11.884 -2.130 1.00 0.00 O ATOM 0 H GLY A 28 3.804 10.109 1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.603 11.971 0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.063 12.738 0.193 1.00 0.00 H new ATOM 425 N GLU A 29 2.465 10.200 -1.222 1.00 0.00 N ATOM 426 CA GLU A 29 2.094 9.577 -2.491 1.00 0.00 C ATOM 427 C GLU A 29 0.882 8.673 -2.276 1.00 0.00 C ATOM 428 O GLU A 29 0.891 7.823 -1.382 1.00 0.00 O ATOM 429 CB GLU A 29 3.257 8.747 -3.052 1.00 0.00 C ATOM 430 CG GLU A 29 4.489 9.563 -3.411 1.00 0.00 C ATOM 431 CD GLU A 29 5.511 8.767 -4.201 1.00 0.00 C ATOM 432 OE1 GLU A 29 6.159 7.879 -3.610 1.00 0.00 O ATOM 433 OE2 GLU A 29 5.664 9.035 -5.411 1.00 0.00 O ATOM 0 H GLU A 29 2.084 9.725 -0.404 1.00 0.00 H new ATOM 0 HA GLU A 29 1.852 10.363 -3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.537 7.991 -2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.915 8.217 -3.941 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.186 10.434 -3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.952 9.935 -2.497 1.00 0.00 H new ATOM 440 N ILE A 30 -0.157 8.847 -3.089 1.00 0.00 N ATOM 441 CA ILE A 30 -1.374 8.052 -2.940 1.00 0.00 C ATOM 442 C ILE A 30 -1.251 6.695 -3.626 1.00 0.00 C ATOM 443 O ILE A 30 -0.979 6.609 -4.825 1.00 0.00 O ATOM 444 CB ILE A 30 -2.611 8.787 -3.511 1.00 0.00 C ATOM 445 CG1 ILE A 30 -2.784 10.158 -2.849 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.868 7.942 -3.331 1.00 0.00 C ATOM 447 CD1 ILE A 30 -2.997 10.095 -1.350 1.00 0.00 C ATOM 0 H ILE A 30 -0.182 9.525 -3.851 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.507 7.902 -1.869 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.451 8.943 -4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.902 10.764 -3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.633 10.666 -3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.727 8.476 -3.739 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.747 6.994 -3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.029 7.751 -2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.111 11.105 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.896 9.518 -1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.137 9.617 -0.880 1.00 0.00 H new ATOM 459 N ILE A 31 -1.454 5.638 -2.838 1.00 0.00 N ATOM 460 CA ILE A 31 -1.360 4.269 -3.328 1.00 0.00 C ATOM 461 C ILE A 31 -2.746 3.635 -3.426 1.00 0.00 C ATOM 462 O ILE A 31 -3.608 3.871 -2.576 1.00 0.00 O ATOM 463 CB ILE A 31 -0.461 3.404 -2.410 1.00 0.00 C ATOM 464 CG1 ILE A 31 0.926 4.041 -2.268 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.344 1.982 -2.950 1.00 0.00 C ATOM 466 CD1 ILE A 31 1.837 3.313 -1.301 1.00 0.00 C ATOM 0 H ILE A 31 -1.687 5.710 -1.848 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.911 4.308 -4.320 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.924 3.356 -1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.403 4.073 -3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.809 5.073 -1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.292 1.393 -2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.334 1.529 -2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.094 2.007 -3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.799 3.823 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.383 3.303 -0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.985 2.288 -1.642 1.00 0.00 H new ATOM 478 N HIS A 32 -2.952 2.832 -4.465 1.00 0.00 N ATOM 479 CA HIS A 32 -4.236 2.170 -4.677 1.00 0.00 C ATOM 480 C HIS A 32 -4.313 0.908 -3.822 1.00 0.00 C ATOM 481 O HIS A 32 -3.447 0.040 -3.915 1.00 0.00 O ATOM 482 CB HIS A 32 -4.437 1.826 -6.157 1.00 0.00 C ATOM 483 CG HIS A 32 -4.166 2.969 -7.087 1.00 0.00 C ATOM 484 ND1 HIS A 32 -3.225 2.912 -8.095 1.00 0.00 N ATOM 485 CD2 HIS A 32 -4.717 4.205 -7.161 1.00 0.00 C ATOM 486 CE1 HIS A 32 -3.210 4.061 -8.746 1.00 0.00 C ATOM 487 NE2 HIS A 32 -4.106 4.863 -8.199 1.00 0.00 N ATOM 0 H HIS A 32 -2.248 2.624 -5.173 1.00 0.00 H new ATOM 0 HA HIS A 32 -5.032 2.852 -4.380 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.783 0.994 -6.419 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.462 1.485 -6.305 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.493 4.599 -6.522 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -2.573 4.304 -9.584 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -4.310 5.816 -8.499 1.00 0.00 H new ATOM 496 N LEU A 33 -5.356 0.807 -2.992 1.00 0.00 N ATOM 497 CA LEU A 33 -5.514 -0.349 -2.115 1.00 0.00 C ATOM 498 C LEU A 33 -6.238 -1.479 -2.840 1.00 0.00 C ATOM 499 O LEU A 33 -7.427 -1.374 -3.150 1.00 0.00 O ATOM 500 CB LEU A 33 -6.278 0.036 -0.842 1.00 0.00 C ATOM 501 CG LEU A 33 -6.092 -0.920 0.344 1.00 0.00 C ATOM 502 CD1 LEU A 33 -6.716 -0.338 1.601 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.693 -2.286 0.037 1.00 0.00 C ATOM 0 H LEU A 33 -6.095 1.506 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.520 -0.696 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.964 1.034 -0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.340 0.094 -1.078 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.023 -1.046 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.574 -1.030 2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.240 0.614 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.782 -0.180 1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.549 -2.947 0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.759 -2.178 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.201 -2.712 -0.838 1.00 0.00 H new ATOM 515 N ILE A 34 -5.506 -2.558 -3.108 1.00 0.00 N ATOM 516 CA ILE A 34 -6.058 -3.706 -3.820 1.00 0.00 C ATOM 517 C ILE A 34 -6.622 -4.754 -2.856 1.00 0.00 C ATOM 518 O ILE A 34 -7.749 -5.222 -3.037 1.00 0.00 O ATOM 519 CB ILE A 34 -4.991 -4.358 -4.733 1.00 0.00 C ATOM 520 CG1 ILE A 34 -4.346 -3.306 -5.647 1.00 0.00 C ATOM 521 CG2 ILE A 34 -5.599 -5.484 -5.559 1.00 0.00 C ATOM 522 CD1 ILE A 34 -5.334 -2.568 -6.529 1.00 0.00 C ATOM 0 H ILE A 34 -4.527 -2.660 -2.842 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.876 -3.333 -4.437 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.215 -4.784 -4.097 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.813 -2.582 -5.031 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.604 -3.794 -6.279 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.830 -5.927 -6.192 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.004 -6.246 -4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.399 -5.086 -6.183 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.801 -1.843 -7.144 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.850 -3.280 -7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.062 -2.049 -5.905 1.00 0.00 H new ATOM 534 N SER A 35 -5.843 -5.118 -1.833 1.00 0.00 N ATOM 535 CA SER A 35 -6.279 -6.117 -0.855 1.00 0.00 C ATOM 536 C SER A 35 -5.637 -5.877 0.512 1.00 0.00 C ATOM 537 O SER A 35 -4.415 -5.770 0.616 1.00 0.00 O ATOM 538 CB SER A 35 -5.917 -7.520 -1.349 1.00 0.00 C ATOM 539 OG SER A 35 -6.434 -8.519 -0.486 1.00 0.00 O ATOM 0 H SER A 35 -4.912 -4.738 -1.662 1.00 0.00 H new ATOM 0 HA SER A 35 -7.360 -6.029 -0.746 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.310 -7.666 -2.355 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.833 -7.617 -1.413 1.00 0.00 H new ATOM 0 HG SER A 35 -5.694 -8.979 -0.037 1.00 0.00 H new ATOM 545 N LYS A 36 -6.462 -5.799 1.563 1.00 0.00 N ATOM 546 CA LYS A 36 -5.943 -5.582 2.916 1.00 0.00 C ATOM 547 C LYS A 36 -5.434 -6.895 3.531 1.00 0.00 C ATOM 548 O LYS A 36 -4.728 -6.876 4.540 1.00 0.00 O ATOM 549 CB LYS A 36 -7.007 -4.949 3.824 1.00 0.00 C ATOM 550 CG LYS A 36 -7.437 -3.549 3.404 1.00 0.00 C ATOM 551 CD LYS A 36 -8.673 -3.098 4.170 1.00 0.00 C ATOM 552 CE LYS A 36 -9.137 -1.714 3.735 1.00 0.00 C ATOM 553 NZ LYS A 36 -10.385 -1.300 4.439 1.00 0.00 N ATOM 0 H LYS A 36 -7.477 -5.882 1.504 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.104 -4.890 2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.884 -5.596 3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.621 -4.908 4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.621 -2.848 3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.644 -3.535 2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.478 -3.816 4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.455 -3.089 5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.349 -0.987 3.935 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.309 -1.710 2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.668 -0.353 4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.144 -1.979 4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.214 -1.279 5.465 1.00 0.00 H new ATOM 567 N GLU A 37 -5.801 -8.031 2.923 1.00 0.00 N ATOM 568 CA GLU A 37 -5.358 -9.341 3.398 1.00 0.00 C ATOM 569 C GLU A 37 -4.524 -10.041 2.325 1.00 0.00 C ATOM 570 O GLU A 37 -5.062 -10.530 1.330 1.00 0.00 O ATOM 571 CB GLU A 37 -6.543 -10.212 3.821 1.00 0.00 C ATOM 572 CG GLU A 37 -6.136 -11.422 4.651 1.00 0.00 C ATOM 573 CD GLU A 37 -5.316 -11.045 5.874 1.00 0.00 C ATOM 574 OE1 GLU A 37 -5.919 -10.644 6.893 1.00 0.00 O ATOM 575 OE2 GLU A 37 -4.071 -11.146 5.810 1.00 0.00 O ATOM 0 H GLU A 37 -6.404 -8.065 2.101 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.734 -9.187 4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.244 -9.606 4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.071 -10.552 2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.031 -11.957 4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.560 -12.107 4.029 1.00 0.00 H new ATOM 582 N THR A 38 -3.208 -10.083 2.535 1.00 0.00 N ATOM 583 CA THR A 38 -2.295 -10.713 1.579 1.00 0.00 C ATOM 584 C THR A 38 -1.800 -12.084 2.059 1.00 0.00 C ATOM 585 O THR A 38 -0.973 -12.714 1.397 1.00 0.00 O ATOM 586 CB THR A 38 -1.077 -9.805 1.310 1.00 0.00 C ATOM 587 OG1 THR A 38 -0.227 -9.758 2.464 1.00 0.00 O ATOM 588 CG2 THR A 38 -1.527 -8.395 0.956 1.00 0.00 C ATOM 0 H THR A 38 -2.750 -9.689 3.357 1.00 0.00 H new ATOM 0 HA THR A 38 -2.862 -10.859 0.660 1.00 0.00 H new ATOM 0 HB THR A 38 -0.523 -10.222 0.470 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.499 -10.409 2.363 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.653 -7.770 0.770 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.149 -8.425 0.061 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.102 -7.978 1.783 1.00 0.00 H new ATOM 596 N GLY A 39 -2.303 -12.540 3.209 1.00 0.00 N ATOM 597 CA GLY A 39 -1.891 -13.824 3.751 1.00 0.00 C ATOM 598 C GLY A 39 -0.991 -13.681 4.972 1.00 0.00 C ATOM 599 O GLY A 39 -0.571 -14.676 5.564 1.00 0.00 O ATOM 0 H GLY A 39 -2.990 -12.040 3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.775 -14.401 4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.365 -14.388 2.980 1.00 0.00 H new ATOM 603 N GLU A 40 -0.701 -12.428 5.345 1.00 0.00 N ATOM 604 CA GLU A 40 0.133 -12.119 6.501 1.00 0.00 C ATOM 605 C GLU A 40 -0.561 -11.049 7.340 1.00 0.00 C ATOM 606 O GLU A 40 -1.068 -10.063 6.797 1.00 0.00 O ATOM 607 CB GLU A 40 1.507 -11.611 6.055 1.00 0.00 C ATOM 608 CG GLU A 40 2.188 -12.483 5.012 1.00 0.00 C ATOM 609 CD GLU A 40 2.857 -11.661 3.925 1.00 0.00 C ATOM 610 OE1 GLU A 40 3.968 -11.145 4.168 1.00 0.00 O ATOM 611 OE2 GLU A 40 2.267 -11.532 2.832 1.00 0.00 O ATOM 0 H GLU A 40 -1.041 -11.603 4.850 1.00 0.00 H new ATOM 0 HA GLU A 40 0.275 -13.025 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.396 -10.604 5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.155 -11.536 6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.932 -13.114 5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.452 -13.149 4.561 1.00 0.00 H new ATOM 618 N ALA A 41 -0.588 -11.239 8.660 1.00 0.00 N ATOM 619 CA ALA A 41 -1.228 -10.270 9.547 1.00 0.00 C ATOM 620 C ALA A 41 -0.475 -8.941 9.515 1.00 0.00 C ATOM 621 O ALA A 41 0.756 -8.917 9.564 1.00 0.00 O ATOM 622 CB ALA A 41 -1.317 -10.808 10.967 1.00 0.00 C ATOM 0 H ALA A 41 -0.179 -12.045 9.133 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.244 -10.099 9.191 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.797 -10.068 11.607 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.903 -11.727 10.972 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.314 -11.015 11.341 1.00 0.00 H new ATOM 628 N GLY A 42 -1.221 -7.839 9.450 1.00 0.00 N ATOM 629 CA GLY A 42 -0.604 -6.522 9.408 1.00 0.00 C ATOM 630 C GLY A 42 0.017 -6.184 8.058 1.00 0.00 C ATOM 631 O GLY A 42 0.800 -5.237 7.964 1.00 0.00 O ATOM 0 H GLY A 42 -2.241 -7.835 9.426 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.354 -5.770 9.652 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.166 -6.466 10.177 1.00 0.00 H new ATOM 635 N TRP A 43 -0.318 -6.946 7.012 1.00 0.00 N ATOM 636 CA TRP A 43 0.228 -6.696 5.679 1.00 0.00 C ATOM 637 C TRP A 43 -0.866 -6.253 4.712 1.00 0.00 C ATOM 638 O TRP A 43 -1.938 -6.855 4.654 1.00 0.00 O ATOM 639 CB TRP A 43 0.930 -7.944 5.138 1.00 0.00 C ATOM 640 CG TRP A 43 2.241 -8.225 5.809 1.00 0.00 C ATOM 641 CD1 TRP A 43 2.430 -8.838 7.013 1.00 0.00 C ATOM 642 CD2 TRP A 43 3.546 -7.901 5.315 1.00 0.00 C ATOM 643 NE1 TRP A 43 3.771 -8.916 7.299 1.00 0.00 N ATOM 644 CE2 TRP A 43 4.477 -8.347 6.272 1.00 0.00 C ATOM 645 CE3 TRP A 43 4.019 -7.277 4.157 1.00 0.00 C ATOM 646 CZ2 TRP A 43 5.850 -8.188 6.106 1.00 0.00 C ATOM 647 CZ3 TRP A 43 5.382 -7.121 3.993 1.00 0.00 C ATOM 648 CH2 TRP A 43 6.284 -7.575 4.963 1.00 0.00 C ATOM 0 H TRP A 43 -0.961 -7.736 7.064 1.00 0.00 H new ATOM 0 HA TRP A 43 0.958 -5.892 5.766 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.273 -8.805 5.264 1.00 0.00 H new ATOM 0 HB3 TRP A 43 1.096 -7.824 4.067 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.640 -9.208 7.649 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.175 -9.330 8.139 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.331 -6.923 3.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.548 -8.536 6.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.758 -6.641 3.102 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.344 -7.438 4.805 1.00 0.00 H new ATOM 659 N TRP A 44 -0.571 -5.203 3.946 1.00 0.00 N ATOM 660 CA TRP A 44 -1.517 -4.658 2.976 1.00 0.00 C ATOM 661 C TRP A 44 -0.935 -4.724 1.568 1.00 0.00 C ATOM 662 O TRP A 44 0.281 -4.709 1.388 1.00 0.00 O ATOM 663 CB TRP A 44 -1.882 -3.211 3.329 1.00 0.00 C ATOM 664 CG TRP A 44 -3.027 -3.089 4.291 1.00 0.00 C ATOM 665 CD1 TRP A 44 -3.519 -4.062 5.113 1.00 0.00 C ATOM 666 CD2 TRP A 44 -3.821 -1.922 4.531 1.00 0.00 C ATOM 667 NE1 TRP A 44 -4.574 -3.574 5.841 1.00 0.00 N ATOM 668 CE2 TRP A 44 -4.778 -2.263 5.505 1.00 0.00 C ATOM 669 CE3 TRP A 44 -3.817 -0.622 4.016 1.00 0.00 C ATOM 670 CZ2 TRP A 44 -5.722 -1.353 5.973 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -4.754 0.281 4.484 1.00 0.00 C ATOM 672 CH2 TRP A 44 -5.695 -0.089 5.453 1.00 0.00 C ATOM 0 H TRP A 44 0.322 -4.711 3.980 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.424 -5.262 3.009 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.008 -2.720 3.756 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.132 -2.676 2.413 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.134 -5.069 5.180 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.118 -4.103 6.523 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.096 -0.329 3.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.449 -1.635 6.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.760 1.289 4.096 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.414 0.640 5.797 1.00 0.00 H new ATOM 683 N LYS A 45 -1.817 -4.787 0.570 1.00 0.00 N ATOM 684 CA LYS A 45 -1.387 -4.867 -0.822 1.00 0.00 C ATOM 685 C LYS A 45 -1.944 -3.707 -1.637 1.00 0.00 C ATOM 686 O LYS A 45 -3.132 -3.386 -1.557 1.00 0.00 O ATOM 687 CB LYS A 45 -1.813 -6.194 -1.456 1.00 0.00 C ATOM 688 CG LYS A 45 -1.288 -6.373 -2.873 1.00 0.00 C ATOM 689 CD LYS A 45 -1.660 -7.725 -3.458 1.00 0.00 C ATOM 690 CE LYS A 45 -1.128 -7.867 -4.875 1.00 0.00 C ATOM 691 NZ LYS A 45 -1.429 -9.203 -5.462 1.00 0.00 N ATOM 0 H LYS A 45 -2.829 -4.784 0.701 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.299 -4.809 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.457 -7.017 -0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.901 -6.251 -1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.687 -5.582 -3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.203 -6.265 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.256 -8.520 -2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.744 -7.840 -3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.564 -7.090 -5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.050 -7.708 -4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.047 -9.252 -6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.992 -9.945 -4.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.459 -9.346 -5.490 1.00 0.00 H new ATOM 705 N GLY A 46 -1.072 -3.092 -2.430 1.00 0.00 N ATOM 706 CA GLY A 46 -1.474 -1.979 -3.265 1.00 0.00 C ATOM 707 C GLY A 46 -0.774 -1.986 -4.608 1.00 0.00 C ATOM 708 O GLY A 46 0.153 -2.768 -4.832 1.00 0.00 O ATOM 0 H GLY A 46 -0.088 -3.348 -2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.552 -2.015 -3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.257 -1.044 -2.749 1.00 0.00 H new ATOM 712 N GLU A 47 -1.218 -1.108 -5.500 1.00 0.00 N ATOM 713 CA GLU A 47 -0.646 -1.013 -6.837 1.00 0.00 C ATOM 714 C GLU A 47 -0.076 0.385 -7.067 1.00 0.00 C ATOM 715 O GLU A 47 -0.726 1.391 -6.781 1.00 0.00 O ATOM 716 CB GLU A 47 -1.708 -1.349 -7.889 1.00 0.00 C ATOM 717 CG GLU A 47 -1.141 -1.663 -9.266 1.00 0.00 C ATOM 718 CD GLU A 47 -0.991 -0.428 -10.133 1.00 0.00 C ATOM 719 OE1 GLU A 47 -2.007 0.030 -10.697 1.00 0.00 O ATOM 720 OE2 GLU A 47 0.141 0.081 -10.250 1.00 0.00 O ATOM 0 H GLU A 47 -1.976 -0.449 -5.320 1.00 0.00 H new ATOM 0 HA GLU A 47 0.167 -1.733 -6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.289 -2.204 -7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.398 -0.509 -7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.169 -2.143 -9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.793 -2.378 -9.768 1.00 0.00 H new ATOM 727 N LEU A 48 1.149 0.425 -7.589 1.00 0.00 N ATOM 728 CA LEU A 48 1.835 1.681 -7.875 1.00 0.00 C ATOM 729 C LEU A 48 2.865 1.480 -8.983 1.00 0.00 C ATOM 730 O LEU A 48 3.762 0.642 -8.865 1.00 0.00 O ATOM 731 CB LEU A 48 2.509 2.234 -6.616 1.00 0.00 C ATOM 732 CG LEU A 48 3.166 3.608 -6.779 1.00 0.00 C ATOM 733 CD1 LEU A 48 2.122 4.667 -7.103 1.00 0.00 C ATOM 734 CD2 LEU A 48 3.938 3.982 -5.521 1.00 0.00 C ATOM 0 H LEU A 48 1.690 -0.407 -7.824 1.00 0.00 H new ATOM 0 HA LEU A 48 1.094 2.406 -8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.765 2.297 -5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.267 1.523 -6.287 1.00 0.00 H new ATOM 0 HG LEU A 48 3.869 3.557 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.609 5.636 -7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.615 4.406 -8.032 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.393 4.719 -6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.398 4.961 -5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.256 4.014 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.713 3.239 -5.335 1.00 0.00 H new ATOM 746 N ASN A 49 2.716 2.249 -10.062 1.00 0.00 N ATOM 747 CA ASN A 49 3.628 2.177 -11.203 1.00 0.00 C ATOM 748 C ASN A 49 3.520 0.824 -11.917 1.00 0.00 C ATOM 749 O ASN A 49 4.524 0.258 -12.355 1.00 0.00 O ATOM 750 CB ASN A 49 5.076 2.437 -10.762 1.00 0.00 C ATOM 751 CG ASN A 49 5.242 3.768 -10.049 1.00 0.00 C ATOM 752 OD1 ASN A 49 4.549 4.741 -10.351 1.00 0.00 O ATOM 753 ND2 ASN A 49 6.162 3.817 -9.091 1.00 0.00 N ATOM 0 H ASN A 49 1.967 2.933 -10.169 1.00 0.00 H new ATOM 0 HA ASN A 49 3.336 2.955 -11.908 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.400 1.633 -10.101 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.727 2.414 -11.636 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.315 4.683 -8.575 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.715 2.988 -8.872 1.00 0.00 H new ATOM 760 N GLY A 50 2.284 0.317 -12.036 1.00 0.00 N ATOM 761 CA GLY A 50 2.044 -0.943 -12.717 1.00 0.00 C ATOM 762 C GLY A 50 2.448 -2.183 -11.934 1.00 0.00 C ATOM 763 O GLY A 50 2.348 -3.290 -12.466 1.00 0.00 O ATOM 0 H GLY A 50 1.445 0.765 -11.668 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.983 -1.013 -12.957 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.585 -0.936 -13.663 1.00 0.00 H new ATOM 767 N LYS A 51 2.895 -2.032 -10.679 1.00 0.00 N ATOM 768 CA LYS A 51 3.309 -3.182 -9.879 1.00 0.00 C ATOM 769 C LYS A 51 2.487 -3.313 -8.597 1.00 0.00 C ATOM 770 O LYS A 51 2.099 -2.313 -7.988 1.00 0.00 O ATOM 771 CB LYS A 51 4.797 -3.071 -9.537 1.00 0.00 C ATOM 772 CG LYS A 51 5.641 -4.176 -10.152 1.00 0.00 C ATOM 773 CD LYS A 51 5.454 -4.250 -11.661 1.00 0.00 C ATOM 774 CE LYS A 51 6.021 -5.541 -12.236 1.00 0.00 C ATOM 775 NZ LYS A 51 7.497 -5.639 -12.053 1.00 0.00 N ATOM 0 H LYS A 51 2.977 -1.133 -10.204 1.00 0.00 H new ATOM 0 HA LYS A 51 3.134 -4.078 -10.475 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.170 -2.106 -9.879 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.916 -3.093 -8.454 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.692 -4.002 -9.923 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.372 -5.132 -9.704 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.393 -4.180 -11.900 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.943 -3.397 -12.131 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.540 -6.393 -11.755 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.784 -5.598 -13.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.839 -6.533 -12.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.960 -4.841 -12.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.724 -5.611 -11.038 1.00 0.00 H new ATOM 789 N GLU A 52 2.232 -4.559 -8.200 1.00 0.00 N ATOM 790 CA GLU A 52 1.483 -4.859 -6.979 1.00 0.00 C ATOM 791 C GLU A 52 2.416 -5.453 -5.918 1.00 0.00 C ATOM 792 O GLU A 52 3.408 -6.100 -6.262 1.00 0.00 O ATOM 793 CB GLU A 52 0.334 -5.840 -7.281 1.00 0.00 C ATOM 794 CG GLU A 52 0.698 -7.004 -8.203 1.00 0.00 C ATOM 795 CD GLU A 52 1.773 -7.914 -7.635 1.00 0.00 C ATOM 796 OE1 GLU A 52 1.529 -8.545 -6.584 1.00 0.00 O ATOM 797 OE2 GLU A 52 2.861 -7.997 -8.245 1.00 0.00 O ATOM 0 H GLU A 52 2.537 -5.386 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 52 1.058 -3.931 -6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.034 -6.245 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.488 -5.284 -7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.197 -7.593 -8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.038 -6.607 -9.160 1.00 0.00 H new ATOM 804 N GLY A 53 2.127 -5.221 -4.635 1.00 0.00 N ATOM 805 CA GLY A 53 2.980 -5.776 -3.592 1.00 0.00 C ATOM 806 C GLY A 53 2.431 -5.615 -2.184 1.00 0.00 C ATOM 807 O GLY A 53 1.520 -4.820 -1.950 1.00 0.00 O ATOM 0 H GLY A 53 1.335 -4.670 -4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.133 -6.837 -3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.958 -5.297 -3.645 1.00 0.00 H new ATOM 811 N VAL A 54 3.006 -6.372 -1.244 1.00 0.00 N ATOM 812 CA VAL A 54 2.574 -6.348 0.156 1.00 0.00 C ATOM 813 C VAL A 54 3.465 -5.424 0.979 1.00 0.00 C ATOM 814 O VAL A 54 4.599 -5.133 0.592 1.00 0.00 O ATOM 815 CB VAL A 54 2.589 -7.763 0.778 1.00 0.00 C ATOM 816 CG1 VAL A 54 1.742 -8.714 -0.053 1.00 0.00 C ATOM 817 CG2 VAL A 54 4.012 -8.291 0.910 1.00 0.00 C ATOM 0 H VAL A 54 3.777 -7.013 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 54 1.551 -5.973 0.171 1.00 0.00 H new ATOM 0 HB VAL A 54 2.163 -7.697 1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.762 -9.707 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.715 -8.351 -0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.142 -8.767 -1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.991 -9.288 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.475 -8.340 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.590 -7.624 1.550 1.00 0.00 H new ATOM 827 N PHE A 55 2.943 -4.983 2.135 1.00 0.00 N ATOM 828 CA PHE A 55 3.683 -4.070 3.009 1.00 0.00 C ATOM 829 C PHE A 55 2.856 -3.582 4.209 1.00 0.00 C ATOM 830 O PHE A 55 1.656 -3.333 4.085 1.00 0.00 O ATOM 831 CB PHE A 55 4.124 -2.836 2.205 1.00 0.00 C ATOM 832 CG PHE A 55 2.969 -2.062 1.608 1.00 0.00 C ATOM 833 CD1 PHE A 55 2.228 -1.177 2.384 1.00 0.00 C ATOM 834 CD2 PHE A 55 2.616 -2.227 0.276 1.00 0.00 C ATOM 835 CE1 PHE A 55 1.165 -0.479 1.844 1.00 0.00 C ATOM 836 CE2 PHE A 55 1.552 -1.529 -0.267 1.00 0.00 C ATOM 837 CZ PHE A 55 0.827 -0.655 0.519 1.00 0.00 C ATOM 0 H PHE A 55 2.019 -5.243 2.480 1.00 0.00 H new ATOM 0 HA PHE A 55 4.536 -4.630 3.391 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.697 -2.175 2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.791 -3.153 1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.487 -1.034 3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.179 -2.909 -0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.599 0.204 2.460 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.288 -1.668 -1.305 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.004 -0.110 0.096 1.00 0.00 H new ATOM 847 N PRO A 56 3.492 -3.473 5.396 1.00 0.00 N ATOM 848 CA PRO A 56 2.862 -2.909 6.592 1.00 0.00 C ATOM 849 C PRO A 56 2.253 -1.551 6.281 1.00 0.00 C ATOM 850 O PRO A 56 2.949 -0.588 5.951 1.00 0.00 O ATOM 851 CB PRO A 56 4.032 -2.743 7.589 1.00 0.00 C ATOM 852 CG PRO A 56 5.279 -3.032 6.821 1.00 0.00 C ATOM 853 CD PRO A 56 4.873 -3.896 5.663 1.00 0.00 C ATOM 0 HA PRO A 56 2.059 -3.538 6.976 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.053 -1.734 8.000 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.926 -3.427 8.431 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.743 -2.109 6.473 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.012 -3.541 7.447 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.517 -3.738 4.798 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.928 -4.956 5.912 1.00 0.00 H new ATOM 861 N ASP A 57 0.916 -1.520 6.376 1.00 0.00 N ATOM 862 CA ASP A 57 0.104 -0.328 6.101 1.00 0.00 C ATOM 863 C ASP A 57 0.357 0.858 7.045 1.00 0.00 C ATOM 864 O ASP A 57 -0.407 1.827 7.010 1.00 0.00 O ATOM 865 CB ASP A 57 -1.388 -0.701 6.181 1.00 0.00 C ATOM 866 CG ASP A 57 -1.830 -1.218 7.540 1.00 0.00 C ATOM 867 OD1 ASP A 57 -2.218 -0.392 8.393 1.00 0.00 O ATOM 868 OD2 ASP A 57 -1.809 -2.451 7.741 1.00 0.00 O ATOM 0 H ASP A 57 0.362 -2.332 6.649 1.00 0.00 H new ATOM 0 HA ASP A 57 0.397 0.002 5.104 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.984 0.176 5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.602 -1.461 5.429 1.00 0.00 H new ATOM 873 N ASN A 58 1.406 0.820 7.880 1.00 0.00 N ATOM 874 CA ASN A 58 1.658 1.912 8.820 1.00 0.00 C ATOM 875 C ASN A 58 2.364 3.100 8.160 1.00 0.00 C ATOM 876 O ASN A 58 2.569 4.131 8.803 1.00 0.00 O ATOM 877 CB ASN A 58 2.487 1.411 10.011 1.00 0.00 C ATOM 878 CG ASN A 58 1.717 0.446 10.900 1.00 0.00 C ATOM 879 OD1 ASN A 58 0.895 -0.338 10.423 1.00 0.00 O ATOM 880 ND2 ASN A 58 1.975 0.502 12.203 1.00 0.00 N ATOM 0 H ASN A 58 2.081 0.057 7.921 1.00 0.00 H new ATOM 0 HA ASN A 58 0.686 2.261 9.169 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.386 0.918 9.641 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.813 2.264 10.606 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.485 -0.119 12.847 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.663 1.166 12.559 1.00 0.00 H new ATOM 887 N PHE A 59 2.735 2.966 6.882 1.00 0.00 N ATOM 888 CA PHE A 59 3.396 4.053 6.165 1.00 0.00 C ATOM 889 C PHE A 59 2.402 4.801 5.272 1.00 0.00 C ATOM 890 O PHE A 59 2.804 5.637 4.466 1.00 0.00 O ATOM 891 CB PHE A 59 4.561 3.523 5.319 1.00 0.00 C ATOM 892 CG PHE A 59 5.664 2.907 6.132 1.00 0.00 C ATOM 893 CD1 PHE A 59 5.486 1.676 6.740 1.00 0.00 C ATOM 894 CD2 PHE A 59 6.877 3.560 6.288 1.00 0.00 C ATOM 895 CE1 PHE A 59 6.495 1.107 7.492 1.00 0.00 C ATOM 896 CE2 PHE A 59 7.890 2.995 7.038 1.00 0.00 C ATOM 897 CZ PHE A 59 7.698 1.768 7.641 1.00 0.00 C ATOM 0 H PHE A 59 2.589 2.121 6.330 1.00 0.00 H new ATOM 0 HA PHE A 59 3.791 4.747 6.907 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.181 2.781 4.617 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.971 4.341 4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.547 1.155 6.625 1.00 0.00 H new ATOM 0 HD2 PHE A 59 7.031 4.520 5.818 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.343 0.147 7.963 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.831 3.512 7.153 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.488 1.325 8.229 1.00 0.00 H new ATOM 907 N ALA A 60 1.105 4.489 5.413 1.00 0.00 N ATOM 908 CA ALA A 60 0.058 5.129 4.624 1.00 0.00 C ATOM 909 C ALA A 60 -1.273 5.129 5.378 1.00 0.00 C ATOM 910 O ALA A 60 -1.704 4.088 5.878 1.00 0.00 O ATOM 911 CB ALA A 60 -0.104 4.405 3.293 1.00 0.00 C ATOM 0 H ALA A 60 0.761 3.791 6.073 1.00 0.00 H new ATOM 0 HA ALA A 60 0.351 6.163 4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.887 4.888 2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.835 4.443 2.742 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.376 3.365 3.475 1.00 0.00 H new ATOM 917 N VAL A 61 -1.923 6.290 5.462 1.00 0.00 N ATOM 918 CA VAL A 61 -3.219 6.396 6.135 1.00 0.00 C ATOM 919 C VAL A 61 -4.346 6.317 5.107 1.00 0.00 C ATOM 920 O VAL A 61 -4.255 6.914 4.032 1.00 0.00 O ATOM 921 CB VAL A 61 -3.344 7.708 6.944 1.00 0.00 C ATOM 922 CG1 VAL A 61 -3.312 8.927 6.032 1.00 0.00 C ATOM 923 CG2 VAL A 61 -4.612 7.696 7.788 1.00 0.00 C ATOM 0 H VAL A 61 -1.576 7.167 5.074 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.295 5.564 6.835 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.485 7.774 7.612 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.402 9.833 6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.370 8.947 5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.141 8.875 5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.683 8.627 8.351 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.481 7.597 7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.580 6.855 8.481 1.00 0.00 H new ATOM 933 N GLN A 62 -5.406 5.583 5.436 1.00 0.00 N ATOM 934 CA GLN A 62 -6.550 5.456 4.537 1.00 0.00 C ATOM 935 C GLN A 62 -7.353 6.754 4.504 1.00 0.00 C ATOM 936 O GLN A 62 -7.623 7.350 5.549 1.00 0.00 O ATOM 937 CB GLN A 62 -7.460 4.305 4.975 1.00 0.00 C ATOM 938 CG GLN A 62 -8.468 3.897 3.913 1.00 0.00 C ATOM 939 CD GLN A 62 -7.963 2.765 3.041 1.00 0.00 C ATOM 940 OE1 GLN A 62 -7.524 1.731 3.542 1.00 0.00 O ATOM 941 NE2 GLN A 62 -8.002 2.963 1.729 1.00 0.00 N ATOM 0 H GLN A 62 -5.497 5.070 6.313 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.168 5.245 3.538 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.845 3.443 5.232 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.994 4.597 5.879 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.397 3.594 4.395 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.701 4.758 3.287 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.375 3.836 1.356 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.659 2.242 1.094 1.00 0.00 H new ATOM 950 N ILE A 63 -7.734 7.193 3.298 1.00 0.00 N ATOM 951 CA ILE A 63 -8.515 8.420 3.147 1.00 0.00 C ATOM 952 C ILE A 63 -9.904 8.246 3.762 1.00 0.00 C ATOM 953 O ILE A 63 -10.357 9.091 4.535 1.00 0.00 O ATOM 954 CB ILE A 63 -8.649 8.836 1.664 1.00 0.00 C ATOM 955 CG1 ILE A 63 -7.265 9.035 1.032 1.00 0.00 C ATOM 956 CG2 ILE A 63 -9.482 10.106 1.536 1.00 0.00 C ATOM 957 CD1 ILE A 63 -6.415 10.076 1.732 1.00 0.00 C ATOM 0 H ILE A 63 -7.515 6.719 2.422 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.981 9.212 3.672 1.00 0.00 H new ATOM 0 HB ILE A 63 -9.159 8.035 1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.734 8.083 1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.391 9.324 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.565 10.382 0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.477 9.931 1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.001 10.914 2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.453 10.159 1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.924 11.040 1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.256 9.779 2.769 1.00 0.00 H new ATOM 969 N SER A 64 -10.575 7.138 3.416 1.00 0.00 N ATOM 970 CA SER A 64 -11.912 6.852 3.930 1.00 0.00 C ATOM 971 C SER A 64 -12.308 5.402 3.644 1.00 0.00 C ATOM 972 O SER A 64 -12.398 4.615 4.609 1.00 0.00 O ATOM 973 CB SER A 64 -12.938 7.817 3.320 1.00 0.00 C ATOM 974 OG SER A 64 -12.810 7.885 1.909 1.00 0.00 O ATOM 975 OXT SER A 64 -12.514 5.062 2.458 1.00 0.00 O ATOM 0 H SER A 64 -10.209 6.428 2.782 1.00 0.00 H new ATOM 0 HA SER A 64 -11.898 6.994 5.011 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.945 7.492 3.580 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.804 8.811 3.747 1.00 0.00 H new ATOM 0 HG SER A 64 -12.662 6.985 1.550 1.00 0.00 H new TER 981 SER A 64