USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 484 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 Single : A 1 LEU N :NH3+ 157:sc= -0.579 (180deg=-1.49) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.42) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 83:sc= 1.19 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.239 K(o=-0.24,f=-0.86) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0624 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 177:sc= 0 (180deg=-0.0107) USER MOD Single : A 24 THR OG1 : rot 79:sc= 1.03 USER MOD Single : A 26 SER OG : rot 180:sc=-0.000549 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.55) USER MOD Single : A 37 ASN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 39 THR OG1 : rot -148:sc= -0.488 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.170 0.618 -8.627 1.00 21.31 N ATOM 2 CA LEU A 1 6.626 1.656 -7.709 1.00 54.23 C ATOM 3 C LEU A 1 5.723 1.733 -6.482 1.00 22.51 C ATOM 4 O LEU A 1 5.481 2.812 -5.942 1.00 54.11 O ATOM 5 CB LEU A 1 6.658 3.012 -8.418 1.00 21.34 C ATOM 6 CG LEU A 1 5.304 3.577 -8.847 1.00 71.15 C ATOM 7 CD1 LEU A 1 5.325 5.097 -8.814 1.00 1.21 C ATOM 8 CD2 LEU A 1 4.934 3.077 -10.237 1.00 2.54 C ATOM 0 H1 LEU A 1 6.520 0.824 -9.585 1.00 21.31 H new ATOM 0 H2 LEU A 1 6.535 -0.305 -8.316 1.00 21.31 H new ATOM 0 H3 LEU A 1 5.130 0.594 -8.636 1.00 21.31 H new ATOM 0 HA LEU A 1 7.633 1.400 -7.381 1.00 54.23 H new ATOM 0 HB2 LEU A 1 7.137 3.734 -7.757 1.00 21.34 H new ATOM 0 HB3 LEU A 1 7.288 2.922 -9.303 1.00 21.34 H new ATOM 0 HG LEU A 1 4.547 3.229 -8.144 1.00 71.15 H new ATOM 0 HD11 LEU A 1 4.353 5.481 -9.122 1.00 1.21 H new ATOM 0 HD12 LEU A 1 5.544 5.436 -7.802 1.00 1.21 H new ATOM 0 HD13 LEU A 1 6.093 5.465 -9.494 1.00 1.21 H new ATOM 0 HD21 LEU A 1 3.967 3.489 -10.526 1.00 2.54 H new ATOM 0 HD22 LEU A 1 5.693 3.395 -10.952 1.00 2.54 H new ATOM 0 HD23 LEU A 1 4.877 1.989 -10.229 1.00 2.54 H new ATOM 20 N LYS A 2 5.230 0.579 -6.044 1.00 51.11 N ATOM 21 CA LYS A 2 4.357 0.513 -4.878 1.00 40.01 C ATOM 22 C LYS A 2 5.014 1.171 -3.669 1.00 14.41 C ATOM 23 O LYS A 2 4.344 1.816 -2.863 1.00 31.14 O ATOM 24 CB LYS A 2 4.013 -0.943 -4.555 1.00 55.31 C ATOM 25 CG LYS A 2 2.963 -1.092 -3.467 1.00 24.40 C ATOM 26 CD LYS A 2 3.334 -2.189 -2.482 1.00 53.14 C ATOM 27 CE LYS A 2 2.098 -2.876 -1.923 1.00 74.40 C ATOM 28 NZ LYS A 2 2.331 -4.328 -1.683 1.00 53.52 N ATOM 0 H LYS A 2 5.420 -0.324 -6.479 1.00 51.11 H new ATOM 0 HA LYS A 2 3.440 1.054 -5.111 1.00 40.01 H new ATOM 0 HB2 LYS A 2 3.658 -1.433 -5.461 1.00 55.31 H new ATOM 0 HB3 LYS A 2 4.920 -1.462 -4.246 1.00 55.31 H new ATOM 0 HG2 LYS A 2 2.851 -0.147 -2.936 1.00 24.40 H new ATOM 0 HG3 LYS A 2 1.998 -1.319 -3.920 1.00 24.40 H new ATOM 0 HD2 LYS A 2 3.968 -2.925 -2.977 1.00 53.14 H new ATOM 0 HD3 LYS A 2 3.917 -1.764 -1.665 1.00 53.14 H new ATOM 0 HE2 LYS A 2 1.807 -2.396 -0.989 1.00 74.40 H new ATOM 0 HE3 LYS A 2 1.268 -2.751 -2.618 1.00 74.40 H new ATOM 0 HZ1 LYS A 2 1.465 -4.760 -1.302 1.00 53.52 H new ATOM 0 HZ2 LYS A 2 2.584 -4.792 -2.579 1.00 53.52 H new ATOM 0 HZ3 LYS A 2 3.106 -4.447 -1.000 1.00 53.52 H new ATOM 42 N GLU A 3 6.327 1.006 -3.551 1.00 23.50 N ATOM 43 CA GLU A 3 7.073 1.585 -2.440 1.00 1.00 C ATOM 44 C GLU A 3 8.151 2.539 -2.947 1.00 13.21 C ATOM 45 O GLU A 3 8.308 2.730 -4.152 1.00 3.21 O ATOM 46 CB GLU A 3 7.711 0.481 -1.594 1.00 11.22 C ATOM 47 CG GLU A 3 8.557 -0.491 -2.399 1.00 12.10 C ATOM 48 CD GLU A 3 7.952 -1.880 -2.458 1.00 70.12 C ATOM 49 OE1 GLU A 3 8.344 -2.733 -1.634 1.00 14.44 O ATOM 50 OE2 GLU A 3 7.088 -2.115 -3.328 1.00 70.14 O ATOM 0 H GLU A 3 6.896 0.476 -4.211 1.00 23.50 H new ATOM 0 HA GLU A 3 6.374 2.149 -1.822 1.00 1.00 H new ATOM 0 HB2 GLU A 3 8.332 0.938 -0.824 1.00 11.22 H new ATOM 0 HB3 GLU A 3 6.924 -0.073 -1.082 1.00 11.22 H new ATOM 0 HG2 GLU A 3 8.678 -0.108 -3.412 1.00 12.10 H new ATOM 0 HG3 GLU A 3 9.553 -0.551 -1.959 1.00 12.10 H new ATOM 57 N ASN A 4 8.889 3.136 -2.017 1.00 64.10 N ATOM 58 CA ASN A 4 9.952 4.071 -2.369 1.00 14.43 C ATOM 59 C ASN A 4 9.373 5.361 -2.942 1.00 13.30 C ATOM 60 O ASN A 4 9.335 6.390 -2.267 1.00 51.44 O ATOM 61 CB ASN A 4 10.907 3.434 -3.380 1.00 54.11 C ATOM 62 CG ASN A 4 12.300 3.238 -2.815 1.00 44.43 C ATOM 63 OD1 ASN A 4 13.266 3.833 -3.295 1.00 13.22 O ATOM 64 ND2 ASN A 4 12.411 2.401 -1.791 1.00 21.23 N ATOM 0 H ASN A 4 8.771 2.989 -1.015 1.00 64.10 H new ATOM 0 HA ASN A 4 10.504 4.313 -1.461 1.00 14.43 H new ATOM 0 HB2 ASN A 4 10.507 2.471 -3.696 1.00 54.11 H new ATOM 0 HB3 ASN A 4 10.963 4.063 -4.269 1.00 54.11 H new ATOM 0 HD21 ASN A 4 13.324 2.229 -1.369 1.00 21.23 H new ATOM 0 HD22 ASN A 4 11.584 1.930 -1.426 1.00 21.23 H new ATOM 71 N ASP A 5 8.922 5.298 -4.190 1.00 64.41 N ATOM 72 CA ASP A 5 8.343 6.460 -4.854 1.00 65.43 C ATOM 73 C ASP A 5 7.231 7.071 -4.008 1.00 40.02 C ATOM 74 O ASP A 5 7.157 8.290 -3.848 1.00 30.20 O ATOM 75 CB ASP A 5 7.799 6.069 -6.229 1.00 44.34 C ATOM 76 CG ASP A 5 8.820 6.267 -7.333 1.00 54.32 C ATOM 77 OD1 ASP A 5 9.380 7.379 -7.431 1.00 51.33 O ATOM 78 OD2 ASP A 5 9.058 5.310 -8.098 1.00 64.14 O ATOM 0 H ASP A 5 8.946 4.454 -4.762 1.00 64.41 H new ATOM 0 HA ASP A 5 9.129 7.205 -4.981 1.00 65.43 H new ATOM 0 HB2 ASP A 5 7.487 5.025 -6.210 1.00 44.34 H new ATOM 0 HB3 ASP A 5 6.912 6.663 -6.448 1.00 44.34 H new ATOM 83 N HIS A 6 6.367 6.217 -3.469 1.00 73.24 N ATOM 84 CA HIS A 6 5.257 6.673 -2.640 1.00 2.12 C ATOM 85 C HIS A 6 5.729 6.979 -1.222 1.00 2.24 C ATOM 86 O HIS A 6 5.143 7.810 -0.528 1.00 25.11 O ATOM 87 CB HIS A 6 4.151 5.618 -2.605 1.00 62.10 C ATOM 88 CG HIS A 6 2.803 6.174 -2.265 1.00 51.51 C ATOM 89 ND1 HIS A 6 2.392 7.435 -2.643 1.00 50.22 N ATOM 90 CD2 HIS A 6 1.769 5.633 -1.579 1.00 40.33 C ATOM 91 CE1 HIS A 6 1.164 7.646 -2.203 1.00 44.21 C ATOM 92 NE2 HIS A 6 0.763 6.568 -1.555 1.00 21.24 N ATOM 0 H HIS A 6 6.414 5.205 -3.591 1.00 73.24 H new ATOM 0 HA HIS A 6 4.861 7.589 -3.079 1.00 2.12 H new ATOM 0 HB2 HIS A 6 4.098 5.127 -3.577 1.00 62.10 H new ATOM 0 HB3 HIS A 6 4.414 4.852 -1.875 1.00 62.10 H new ATOM 0 HD2 HIS A 6 1.740 4.650 -1.134 1.00 40.33 H new ATOM 0 HE1 HIS A 6 0.587 8.547 -2.349 1.00 44.21 H new ATOM 0 HE2 HIS A 6 -0.146 6.449 -1.109 1.00 21.24 H new ATOM 100 N ALA A 7 6.791 6.302 -0.797 1.00 61.14 N ATOM 101 CA ALA A 7 7.342 6.503 0.537 1.00 21.50 C ATOM 102 C ALA A 7 7.948 7.895 0.677 1.00 13.03 C ATOM 103 O ALA A 7 7.900 8.498 1.750 1.00 74.14 O ATOM 104 CB ALA A 7 8.385 5.438 0.843 1.00 43.02 C ATOM 0 H ALA A 7 7.287 5.609 -1.358 1.00 61.14 H new ATOM 0 HA ALA A 7 6.528 6.416 1.256 1.00 21.50 H new ATOM 0 HB1 ALA A 7 8.788 5.600 1.843 1.00 43.02 H new ATOM 0 HB2 ALA A 7 7.923 4.452 0.794 1.00 43.02 H new ATOM 0 HB3 ALA A 7 9.192 5.498 0.112 1.00 43.02 H new ATOM 110 N ARG A 8 8.518 8.400 -0.412 1.00 73.20 N ATOM 111 CA ARG A 8 9.134 9.721 -0.409 1.00 64.22 C ATOM 112 C ARG A 8 8.082 10.813 -0.578 1.00 31.31 C ATOM 113 O ARG A 8 8.219 11.911 -0.038 1.00 64.24 O ATOM 114 CB ARG A 8 10.175 9.824 -1.526 1.00 72.30 C ATOM 115 CG ARG A 8 9.601 9.599 -2.915 1.00 41.25 C ATOM 116 CD ARG A 8 10.634 9.876 -3.996 1.00 44.13 C ATOM 117 NE ARG A 8 10.440 11.184 -4.617 1.00 70.42 N ATOM 118 CZ ARG A 8 11.238 11.676 -5.558 1.00 54.14 C ATOM 119 NH1 ARG A 8 12.278 10.973 -5.985 1.00 13.20 N ATOM 120 NH2 ARG A 8 10.995 12.874 -6.075 1.00 62.02 N ATOM 0 H ARG A 8 8.566 7.914 -1.308 1.00 73.20 H new ATOM 0 HA ARG A 8 9.627 9.862 0.553 1.00 64.22 H new ATOM 0 HB2 ARG A 8 10.639 10.810 -1.489 1.00 72.30 H new ATOM 0 HB3 ARG A 8 10.963 9.093 -1.345 1.00 72.30 H new ATOM 0 HG2 ARG A 8 9.248 8.571 -3.002 1.00 41.25 H new ATOM 0 HG3 ARG A 8 8.736 10.246 -3.062 1.00 41.25 H new ATOM 0 HD2 ARG A 8 11.633 9.825 -3.564 1.00 44.13 H new ATOM 0 HD3 ARG A 8 10.577 9.100 -4.760 1.00 44.13 H new ATOM 0 HE ARG A 8 9.649 11.750 -4.311 1.00 70.42 H new ATOM 0 HH11 ARG A 8 12.467 10.051 -5.591 1.00 13.20 H new ATOM 0 HH12 ARG A 8 12.889 11.354 -6.708 1.00 13.20 H new ATOM 0 HH21 ARG A 8 10.195 13.417 -5.750 1.00 62.02 H new ATOM 0 HH22 ARG A 8 11.608 13.252 -6.798 1.00 62.02 H new ATOM 134 N PHE A 9 7.031 10.503 -1.330 1.00 42.24 N ATOM 135 CA PHE A 9 5.956 11.458 -1.572 1.00 12.13 C ATOM 136 C PHE A 9 5.117 11.662 -0.313 1.00 43.43 C ATOM 137 O PHE A 9 4.711 12.782 0.001 1.00 74.22 O ATOM 138 CB PHE A 9 5.065 10.977 -2.719 1.00 23.51 C ATOM 139 CG PHE A 9 5.433 11.565 -4.051 1.00 2.00 C ATOM 140 CD1 PHE A 9 5.498 12.938 -4.222 1.00 40.44 C ATOM 141 CD2 PHE A 9 5.714 10.745 -5.132 1.00 35.31 C ATOM 142 CE1 PHE A 9 5.837 13.483 -5.447 1.00 14.22 C ATOM 143 CE2 PHE A 9 6.053 11.284 -6.358 1.00 60.24 C ATOM 144 CZ PHE A 9 6.113 12.655 -6.516 1.00 64.44 C ATOM 0 H PHE A 9 6.901 9.598 -1.782 1.00 42.24 H new ATOM 0 HA PHE A 9 6.406 12.412 -1.847 1.00 12.13 H new ATOM 0 HB2 PHE A 9 5.123 9.890 -2.782 1.00 23.51 H new ATOM 0 HB3 PHE A 9 4.029 11.229 -2.494 1.00 23.51 H new ATOM 0 HD1 PHE A 9 5.281 13.590 -3.389 1.00 40.44 H new ATOM 0 HD2 PHE A 9 5.667 9.672 -5.015 1.00 35.31 H new ATOM 0 HE1 PHE A 9 5.886 14.555 -5.567 1.00 14.22 H new ATOM 0 HE2 PHE A 9 6.271 10.634 -7.192 1.00 60.24 H new ATOM 0 HZ PHE A 9 6.375 13.078 -7.474 1.00 64.44 H new ATOM 154 N LEU A 10 4.862 10.573 0.403 1.00 11.31 N ATOM 155 CA LEU A 10 4.071 10.631 1.628 1.00 42.12 C ATOM 156 C LEU A 10 4.881 11.235 2.771 1.00 51.13 C ATOM 157 O LEU A 10 4.382 12.072 3.522 1.00 52.31 O ATOM 158 CB LEU A 10 3.589 9.232 2.013 1.00 32.43 C ATOM 159 CG LEU A 10 2.111 9.110 2.388 1.00 43.43 C ATOM 160 CD1 LEU A 10 1.322 8.484 1.249 1.00 33.41 C ATOM 161 CD2 LEU A 10 1.949 8.296 3.663 1.00 3.11 C ATOM 0 H LEU A 10 5.191 9.639 0.157 1.00 11.31 H new ATOM 0 HA LEU A 10 3.206 11.269 1.444 1.00 42.12 H new ATOM 0 HB2 LEU A 10 3.788 8.559 1.179 1.00 32.43 H new ATOM 0 HB3 LEU A 10 4.187 8.883 2.855 1.00 32.43 H new ATOM 0 HG LEU A 10 1.718 10.110 2.568 1.00 43.43 H new ATOM 0 HD11 LEU A 10 0.273 8.405 1.534 1.00 33.41 H new ATOM 0 HD12 LEU A 10 1.411 9.107 0.359 1.00 33.41 H new ATOM 0 HD13 LEU A 10 1.716 7.490 1.037 1.00 33.41 H new ATOM 0 HD21 LEU A 10 0.891 8.220 3.914 1.00 3.11 H new ATOM 0 HD22 LEU A 10 2.359 7.297 3.512 1.00 3.11 H new ATOM 0 HD23 LEU A 10 2.481 8.787 4.478 1.00 3.11 H new ATOM 173 N GLN A 11 6.133 10.806 2.894 1.00 73.24 N ATOM 174 CA GLN A 11 7.012 11.306 3.944 1.00 34.01 C ATOM 175 C GLN A 11 7.154 12.822 3.859 1.00 53.00 C ATOM 176 O GLN A 11 7.369 13.494 4.868 1.00 1.41 O ATOM 177 CB GLN A 11 8.388 10.646 3.844 1.00 40.33 C ATOM 178 CG GLN A 11 9.352 11.082 4.935 1.00 25.21 C ATOM 179 CD GLN A 11 9.957 9.909 5.681 1.00 5.24 C ATOM 180 OE1 GLN A 11 10.942 9.317 5.238 1.00 51.33 O ATOM 181 NE2 GLN A 11 9.370 9.567 6.822 1.00 25.32 N ATOM 0 H GLN A 11 6.561 10.113 2.280 1.00 73.24 H new ATOM 0 HA GLN A 11 6.566 11.055 4.906 1.00 34.01 H new ATOM 0 HB2 GLN A 11 8.267 9.564 3.889 1.00 40.33 H new ATOM 0 HB3 GLN A 11 8.823 10.878 2.872 1.00 40.33 H new ATOM 0 HG2 GLN A 11 10.151 11.677 4.492 1.00 25.21 H new ATOM 0 HG3 GLN A 11 8.828 11.726 5.641 1.00 25.21 H new ATOM 0 HE21 GLN A 11 8.556 10.085 7.152 1.00 25.32 H new ATOM 0 HE22 GLN A 11 9.733 8.786 7.368 1.00 25.32 H new ATOM 190 N THR A 12 7.032 13.356 2.647 1.00 23.14 N ATOM 191 CA THR A 12 7.149 14.792 2.430 1.00 52.21 C ATOM 192 C THR A 12 5.890 15.521 2.885 1.00 54.13 C ATOM 193 O THR A 12 5.954 16.440 3.700 1.00 14.33 O ATOM 194 CB THR A 12 7.409 15.117 0.947 1.00 74.43 C ATOM 195 OG1 THR A 12 8.675 14.585 0.543 1.00 25.35 O ATOM 196 CG2 THR A 12 7.385 16.619 0.709 1.00 32.11 C ATOM 0 H THR A 12 6.852 12.815 1.801 1.00 23.14 H new ATOM 0 HA THR A 12 7.998 15.133 3.023 1.00 52.21 H new ATOM 0 HB THR A 12 6.617 14.659 0.354 1.00 74.43 H new ATOM 0 HG1 THR A 12 8.573 13.639 0.310 1.00 25.35 H new ATOM 0 HG21 THR A 12 7.571 16.823 -0.345 1.00 32.11 H new ATOM 0 HG22 THR A 12 6.409 17.016 0.989 1.00 32.11 H new ATOM 0 HG23 THR A 12 8.157 17.095 1.313 1.00 32.11 H new ATOM 204 N ALA A 13 4.745 15.104 2.353 1.00 44.35 N ATOM 205 CA ALA A 13 3.471 15.716 2.706 1.00 14.24 C ATOM 206 C ALA A 13 3.297 15.786 4.220 1.00 75.03 C ATOM 207 O ALA A 13 2.881 16.811 4.761 1.00 73.31 O ATOM 208 CB ALA A 13 2.321 14.944 2.076 1.00 64.30 C ATOM 0 H ALA A 13 4.675 14.344 1.676 1.00 44.35 H new ATOM 0 HA ALA A 13 3.466 16.734 2.318 1.00 14.24 H new ATOM 0 HB1 ALA A 13 1.376 15.413 2.349 1.00 64.30 H new ATOM 0 HB2 ALA A 13 2.430 14.950 0.991 1.00 64.30 H new ATOM 0 HB3 ALA A 13 2.333 13.915 2.436 1.00 64.30 H new ATOM 214 N LYS A 14 3.616 14.689 4.899 1.00 44.55 N ATOM 215 CA LYS A 14 3.496 14.625 6.350 1.00 2.42 C ATOM 216 C LYS A 14 4.558 15.489 7.023 1.00 43.32 C ATOM 217 O LYS A 14 4.261 16.252 7.941 1.00 20.23 O ATOM 218 CB LYS A 14 3.623 13.178 6.830 1.00 74.43 C ATOM 219 CG LYS A 14 2.510 12.749 7.771 1.00 4.32 C ATOM 220 CD LYS A 14 2.312 11.243 7.751 1.00 52.00 C ATOM 221 CE LYS A 14 2.087 10.692 9.151 1.00 61.44 C ATOM 222 NZ LYS A 14 3.358 10.232 9.776 1.00 10.44 N ATOM 0 H LYS A 14 3.960 13.832 4.467 1.00 44.55 H new ATOM 0 HA LYS A 14 2.513 15.008 6.625 1.00 2.42 H new ATOM 0 HB2 LYS A 14 3.630 12.516 5.964 1.00 74.43 H new ATOM 0 HB3 LYS A 14 4.581 13.054 7.334 1.00 74.43 H new ATOM 0 HG2 LYS A 14 2.745 13.072 8.785 1.00 4.32 H new ATOM 0 HG3 LYS A 14 1.581 13.243 7.486 1.00 4.32 H new ATOM 0 HD2 LYS A 14 1.458 10.995 7.120 1.00 52.00 H new ATOM 0 HD3 LYS A 14 3.186 10.766 7.307 1.00 52.00 H new ATOM 0 HE2 LYS A 14 1.633 11.461 9.775 1.00 61.44 H new ATOM 0 HE3 LYS A 14 1.383 9.861 9.106 1.00 61.44 H new ATOM 0 HZ1 LYS A 14 3.163 9.864 10.729 1.00 10.44 H new ATOM 0 HZ2 LYS A 14 3.779 9.480 9.194 1.00 10.44 H new ATOM 0 HZ3 LYS A 14 4.021 11.031 9.843 1.00 10.44 H new ATOM 236 N ASN A 15 5.797 15.365 6.558 1.00 42.12 N ATOM 237 CA ASN A 15 6.903 16.136 7.114 1.00 23.33 C ATOM 238 C ASN A 15 6.608 17.631 7.056 1.00 52.41 C ATOM 239 O ASN A 15 7.146 18.412 7.842 1.00 61.32 O ATOM 240 CB ASN A 15 8.197 15.830 6.357 1.00 40.12 C ATOM 241 CG ASN A 15 9.267 16.878 6.594 1.00 2.11 C ATOM 242 OD1 ASN A 15 9.260 17.941 5.972 1.00 20.51 O ATOM 243 ND2 ASN A 15 10.195 16.582 7.497 1.00 14.55 N ATOM 0 H ASN A 15 6.060 14.738 5.798 1.00 42.12 H new ATOM 0 HA ASN A 15 7.024 15.848 8.158 1.00 23.33 H new ATOM 0 HB2 ASN A 15 8.573 14.855 6.665 1.00 40.12 H new ATOM 0 HB3 ASN A 15 7.984 15.767 5.290 1.00 40.12 H new ATOM 0 HD21 ASN A 15 10.941 17.248 7.699 1.00 14.55 H new ATOM 0 HD22 ASN A 15 10.162 15.689 7.989 1.00 14.55 H new ATOM 250 N ILE A 16 5.749 18.023 6.121 1.00 43.25 N ATOM 251 CA ILE A 16 5.381 19.424 5.961 1.00 42.50 C ATOM 252 C ILE A 16 4.452 19.880 7.081 1.00 20.31 C ATOM 253 O ILE A 16 4.720 20.870 7.762 1.00 2.21 O ATOM 254 CB ILE A 16 4.694 19.675 4.606 1.00 41.24 C ATOM 255 CG1 ILE A 16 5.661 19.380 3.457 1.00 73.12 C ATOM 256 CG2 ILE A 16 4.189 21.108 4.525 1.00 40.01 C ATOM 257 CD1 ILE A 16 4.985 18.808 2.230 1.00 33.34 C ATOM 0 H ILE A 16 5.295 17.390 5.463 1.00 43.25 H new ATOM 0 HA ILE A 16 6.306 19.999 6.002 1.00 42.50 H new ATOM 0 HB ILE A 16 3.840 19.004 4.519 1.00 41.24 H new ATOM 0 HG12 ILE A 16 6.177 20.300 3.182 1.00 73.12 H new ATOM 0 HG13 ILE A 16 6.421 18.679 3.803 1.00 73.12 H new ATOM 0 HG21 ILE A 16 3.706 21.270 3.561 1.00 40.01 H new ATOM 0 HG22 ILE A 16 3.471 21.286 5.325 1.00 40.01 H new ATOM 0 HG23 ILE A 16 5.028 21.796 4.630 1.00 40.01 H new ATOM 0 HD11 ILE A 16 5.731 18.624 1.456 1.00 33.34 H new ATOM 0 HD12 ILE A 16 4.492 17.871 2.490 1.00 33.34 H new ATOM 0 HD13 ILE A 16 4.245 19.517 1.859 1.00 33.34 H new ATOM 269 N THR A 17 3.358 19.149 7.269 1.00 74.42 N ATOM 270 CA THR A 17 2.388 19.476 8.307 1.00 43.13 C ATOM 271 C THR A 17 2.930 19.139 9.691 1.00 21.31 C ATOM 272 O THR A 17 2.484 19.695 10.694 1.00 44.11 O ATOM 273 CB THR A 17 1.060 18.727 8.091 1.00 32.13 C ATOM 274 OG1 THR A 17 0.973 18.263 6.739 1.00 15.14 O ATOM 275 CG2 THR A 17 -0.126 19.628 8.401 1.00 10.11 C ATOM 0 H THR A 17 3.121 18.326 6.715 1.00 74.42 H new ATOM 0 HA THR A 17 2.205 20.549 8.243 1.00 43.13 H new ATOM 0 HB THR A 17 1.035 17.874 8.769 1.00 32.13 H new ATOM 0 HG1 THR A 17 0.126 17.786 6.611 1.00 15.14 H new ATOM 0 HG21 THR A 17 -1.053 19.077 8.241 1.00 10.11 H new ATOM 0 HG22 THR A 17 -0.073 19.955 9.439 1.00 10.11 H new ATOM 0 HG23 THR A 17 -0.103 20.498 7.745 1.00 10.11 H new ATOM 283 N GLU A 18 3.894 18.225 9.738 1.00 62.43 N ATOM 284 CA GLU A 18 4.496 17.814 11.001 1.00 61.13 C ATOM 285 C GLU A 18 5.487 18.863 11.498 1.00 60.44 C ATOM 286 O GLU A 18 5.587 19.118 12.698 1.00 55.53 O ATOM 287 CB GLU A 18 5.201 16.465 10.841 1.00 43.45 C ATOM 288 CG GLU A 18 4.252 15.279 10.833 1.00 11.12 C ATOM 289 CD GLU A 18 3.935 14.777 12.228 1.00 31.04 C ATOM 290 OE1 GLU A 18 4.392 13.668 12.577 1.00 1.33 O ATOM 291 OE2 GLU A 18 3.230 15.492 12.971 1.00 71.31 O ATOM 0 H GLU A 18 4.275 17.755 8.917 1.00 62.43 H new ATOM 0 HA GLU A 18 3.699 17.714 11.738 1.00 61.13 H new ATOM 0 HB2 GLU A 18 5.770 16.470 9.911 1.00 43.45 H new ATOM 0 HB3 GLU A 18 5.918 16.341 11.653 1.00 43.45 H new ATOM 0 HG2 GLU A 18 3.326 15.563 10.334 1.00 11.12 H new ATOM 0 HG3 GLU A 18 4.693 14.470 10.251 1.00 11.12 H new ATOM 298 N ARG A 19 6.218 19.466 10.566 1.00 62.41 N ATOM 299 CA ARG A 19 7.203 20.485 10.908 1.00 33.14 C ATOM 300 C ARG A 19 6.518 21.777 11.343 1.00 2.53 C ATOM 301 O ARG A 19 6.892 22.383 12.348 1.00 32.52 O ATOM 302 CB ARG A 19 8.121 20.758 9.716 1.00 4.00 C ATOM 303 CG ARG A 19 9.444 21.399 10.101 1.00 45.50 C ATOM 304 CD ARG A 19 9.720 22.646 9.275 1.00 2.32 C ATOM 305 NE ARG A 19 10.993 23.268 9.631 1.00 12.12 N ATOM 306 CZ ARG A 19 11.183 23.967 10.745 1.00 62.13 C ATOM 307 NH1 ARG A 19 10.189 24.131 11.606 1.00 11.52 N ATOM 308 NH2 ARG A 19 12.370 24.502 10.999 1.00 45.34 N ATOM 0 H ARG A 19 6.147 19.266 9.568 1.00 62.41 H new ATOM 0 HA ARG A 19 7.801 20.113 11.740 1.00 33.14 H new ATOM 0 HB2 ARG A 19 8.319 19.820 9.198 1.00 4.00 H new ATOM 0 HB3 ARG A 19 7.603 21.408 9.011 1.00 4.00 H new ATOM 0 HG2 ARG A 19 9.430 21.658 11.160 1.00 45.50 H new ATOM 0 HG3 ARG A 19 10.252 20.681 9.960 1.00 45.50 H new ATOM 0 HD2 ARG A 19 9.727 22.385 8.217 1.00 2.32 H new ATOM 0 HD3 ARG A 19 8.913 23.364 9.421 1.00 2.32 H new ATOM 0 HE ARG A 19 11.779 23.160 8.990 1.00 12.12 H new ATOM 0 HH11 ARG A 19 9.275 23.720 11.414 1.00 11.52 H new ATOM 0 HH12 ARG A 19 10.338 24.668 12.460 1.00 11.52 H new ATOM 0 HH21 ARG A 19 13.138 24.377 10.339 1.00 45.34 H new ATOM 0 HH22 ARG A 19 12.515 25.038 11.854 1.00 45.34 H new ATOM 322 N VAL A 20 5.514 22.195 10.579 1.00 11.42 N ATOM 323 CA VAL A 20 4.777 23.415 10.885 1.00 13.44 C ATOM 324 C VAL A 20 4.156 23.348 12.276 1.00 4.24 C ATOM 325 O VAL A 20 4.083 24.353 12.984 1.00 62.21 O ATOM 326 CB VAL A 20 3.665 23.674 9.851 1.00 33.24 C ATOM 327 CG1 VAL A 20 2.678 22.516 9.827 1.00 3.24 C ATOM 328 CG2 VAL A 20 2.954 24.985 10.151 1.00 73.24 C ATOM 0 H VAL A 20 5.192 21.706 9.743 1.00 11.42 H new ATOM 0 HA VAL A 20 5.494 24.235 10.849 1.00 13.44 H new ATOM 0 HB VAL A 20 4.121 23.752 8.864 1.00 33.24 H new ATOM 0 HG11 VAL A 20 1.900 22.717 9.091 1.00 3.24 H new ATOM 0 HG12 VAL A 20 3.201 21.598 9.561 1.00 3.24 H new ATOM 0 HG13 VAL A 20 2.225 22.403 10.812 1.00 3.24 H new ATOM 0 HG21 VAL A 20 2.172 25.152 9.411 1.00 73.24 H new ATOM 0 HG22 VAL A 20 2.509 24.939 11.145 1.00 73.24 H new ATOM 0 HG23 VAL A 20 3.671 25.805 10.112 1.00 73.24 H new ATOM 338 N SER A 21 3.711 22.157 12.663 1.00 61.11 N ATOM 339 CA SER A 21 3.094 21.959 13.969 1.00 74.51 C ATOM 340 C SER A 21 4.108 22.172 15.088 1.00 45.32 C ATOM 341 O SER A 21 3.929 23.036 15.946 1.00 25.21 O ATOM 342 CB SER A 21 2.498 20.553 14.067 1.00 62.43 C ATOM 343 OG SER A 21 1.083 20.594 14.015 1.00 73.50 O ATOM 0 H SER A 21 3.766 21.315 12.091 1.00 61.11 H new ATOM 0 HA SER A 21 2.296 22.693 14.081 1.00 74.51 H new ATOM 0 HB2 SER A 21 2.877 19.936 13.252 1.00 62.43 H new ATOM 0 HB3 SER A 21 2.817 20.083 14.997 1.00 62.43 H new ATOM 0 HG SER A 21 0.727 19.683 14.078 1.00 73.50 H new ATOM 349 N MET A 22 5.174 21.379 15.071 1.00 65.23 N ATOM 350 CA MET A 22 6.219 21.481 16.083 1.00 43.41 C ATOM 351 C MET A 22 6.819 22.884 16.105 1.00 31.21 C ATOM 352 O MET A 22 7.305 23.345 17.137 1.00 31.34 O ATOM 353 CB MET A 22 7.317 20.449 15.820 1.00 61.22 C ATOM 354 CG MET A 22 8.031 19.987 17.080 1.00 62.34 C ATOM 355 SD MET A 22 8.821 18.378 16.880 1.00 44.32 S ATOM 356 CE MET A 22 10.043 18.755 15.625 1.00 75.43 C ATOM 0 H MET A 22 5.337 20.659 14.368 1.00 65.23 H new ATOM 0 HA MET A 22 5.769 21.281 17.055 1.00 43.41 H new ATOM 0 HB2 MET A 22 6.879 19.584 15.322 1.00 61.22 H new ATOM 0 HB3 MET A 22 8.048 20.876 15.133 1.00 61.22 H new ATOM 0 HG2 MET A 22 8.784 20.725 17.358 1.00 62.34 H new ATOM 0 HG3 MET A 22 7.316 19.937 17.901 1.00 62.34 H new ATOM 0 HE1 MET A 22 10.650 17.871 15.431 1.00 75.43 H new ATOM 0 HE2 MET A 22 9.540 19.059 14.707 1.00 75.43 H new ATOM 0 HE3 MET A 22 10.684 19.565 15.973 1.00 75.43 H new ATOM 366 N ALA A 23 6.781 23.557 14.960 1.00 62.12 N ATOM 367 CA ALA A 23 7.319 24.907 14.849 1.00 3.01 C ATOM 368 C ALA A 23 6.465 25.904 15.624 1.00 34.14 C ATOM 369 O ALA A 23 6.941 26.556 16.554 1.00 21.44 O ATOM 370 CB ALA A 23 7.418 25.318 13.387 1.00 35.24 C ATOM 0 H ALA A 23 6.383 23.189 14.096 1.00 62.12 H new ATOM 0 HA ALA A 23 8.318 24.910 15.284 1.00 3.01 H new ATOM 0 HB1 ALA A 23 7.821 26.328 13.320 1.00 35.24 H new ATOM 0 HB2 ALA A 23 8.077 24.628 12.859 1.00 35.24 H new ATOM 0 HB3 ALA A 23 6.427 25.292 12.934 1.00 35.24 H new ATOM 376 N THR A 24 5.198 26.019 15.236 1.00 44.13 N ATOM 377 CA THR A 24 4.278 26.938 15.893 1.00 53.01 C ATOM 378 C THR A 24 4.241 26.697 17.398 1.00 74.34 C ATOM 379 O THR A 24 3.945 27.604 18.174 1.00 4.52 O ATOM 380 CB THR A 24 2.851 26.804 15.328 1.00 61.04 C ATOM 381 OG1 THR A 24 2.905 26.427 13.947 1.00 14.50 O ATOM 382 CG2 THR A 24 2.087 28.111 15.473 1.00 55.13 C ATOM 0 H THR A 24 4.786 25.486 14.470 1.00 44.13 H new ATOM 0 HA THR A 24 4.645 27.946 15.698 1.00 53.01 H new ATOM 0 HB THR A 24 2.330 26.033 15.895 1.00 61.04 H new ATOM 0 HG1 THR A 24 3.090 25.467 13.877 1.00 14.50 H new ATOM 0 HG21 THR A 24 1.082 27.992 15.067 1.00 55.13 H new ATOM 0 HG22 THR A 24 2.023 28.380 16.527 1.00 55.13 H new ATOM 0 HG23 THR A 24 2.607 28.899 14.928 1.00 55.13 H new ATOM 390 N ALA A 25 4.543 25.467 17.803 1.00 55.43 N ATOM 391 CA ALA A 25 4.546 25.108 19.215 1.00 22.12 C ATOM 392 C ALA A 25 5.869 25.484 19.874 1.00 62.21 C ATOM 393 O ALA A 25 5.893 26.191 20.881 1.00 21.45 O ATOM 394 CB ALA A 25 4.275 23.620 19.382 1.00 44.02 C ATOM 0 H ALA A 25 4.788 24.703 17.173 1.00 55.43 H new ATOM 0 HA ALA A 25 3.752 25.668 19.709 1.00 22.12 H new ATOM 0 HB1 ALA A 25 4.280 23.366 20.442 1.00 44.02 H new ATOM 0 HB2 ALA A 25 3.302 23.377 18.955 1.00 44.02 H new ATOM 0 HB3 ALA A 25 5.049 23.049 18.868 1.00 44.02 H new ATOM 400 N SER A 26 6.968 25.006 19.299 1.00 41.12 N ATOM 401 CA SER A 26 8.295 25.289 19.833 1.00 21.51 C ATOM 402 C SER A 26 8.611 26.778 19.743 1.00 2.41 C ATOM 403 O SER A 26 9.558 27.262 20.364 1.00 13.00 O ATOM 404 CB SER A 26 9.354 24.484 19.077 1.00 4.30 C ATOM 405 OG SER A 26 10.661 24.862 19.474 1.00 42.21 O ATOM 0 H SER A 26 6.966 24.421 18.463 1.00 41.12 H new ATOM 0 HA SER A 26 8.307 24.996 20.883 1.00 21.51 H new ATOM 0 HB2 SER A 26 9.208 23.420 19.262 1.00 4.30 H new ATOM 0 HB3 SER A 26 9.237 24.640 18.005 1.00 4.30 H new ATOM 0 HG SER A 26 11.320 24.332 18.978 1.00 42.21 H new ATOM 411 N SER A 27 7.811 27.501 18.965 1.00 24.40 N ATOM 412 CA SER A 27 8.007 28.935 18.790 1.00 71.15 C ATOM 413 C SER A 27 7.071 29.726 19.698 1.00 55.02 C ATOM 414 O SER A 27 7.430 30.790 20.201 1.00 22.23 O ATOM 415 CB SER A 27 7.773 29.328 17.330 1.00 54.23 C ATOM 416 OG SER A 27 8.284 30.622 17.062 1.00 52.42 O ATOM 0 H SER A 27 7.021 27.117 18.446 1.00 24.40 H new ATOM 0 HA SER A 27 9.035 29.173 19.063 1.00 71.15 H new ATOM 0 HB2 SER A 27 8.252 28.601 16.673 1.00 54.23 H new ATOM 0 HB3 SER A 27 6.706 29.302 17.110 1.00 54.23 H new ATOM 0 HG SER A 27 8.123 30.849 16.122 1.00 52.42 H new ATOM 422 N GLN A 28 5.868 29.198 19.901 1.00 20.25 N ATOM 423 CA GLN A 28 4.879 29.855 20.748 1.00 22.52 C ATOM 424 C GLN A 28 4.425 28.930 21.873 1.00 62.32 C ATOM 425 O GLN A 28 4.867 29.061 23.015 1.00 74.55 O ATOM 426 CB GLN A 28 3.674 30.293 19.915 1.00 51.32 C ATOM 427 CG GLN A 28 3.665 31.779 19.593 1.00 11.13 C ATOM 428 CD GLN A 28 3.002 32.085 18.265 1.00 74.21 C ATOM 429 OE1 GLN A 28 1.780 31.998 18.133 1.00 3.23 O ATOM 430 NE2 GLN A 28 3.805 32.445 17.271 1.00 52.12 N ATOM 0 H GLN A 28 5.555 28.318 19.491 1.00 20.25 H new ATOM 0 HA GLN A 28 5.345 30.735 21.191 1.00 22.52 H new ATOM 0 HB2 GLN A 28 3.662 29.728 18.983 1.00 51.32 H new ATOM 0 HB3 GLN A 28 2.760 30.041 20.453 1.00 51.32 H new ATOM 0 HG2 GLN A 28 3.145 32.315 20.386 1.00 11.13 H new ATOM 0 HG3 GLN A 28 4.690 32.149 19.577 1.00 11.13 H new ATOM 0 HE21 GLN A 28 4.812 32.504 17.425 1.00 52.12 H new ATOM 0 HE22 GLN A 28 3.415 32.662 16.354 1.00 52.12 H new ATOM 439 N VAL A 29 3.540 27.995 21.542 1.00 21.44 N ATOM 440 CA VAL A 29 3.026 27.047 22.524 1.00 5.13 C ATOM 441 C VAL A 29 2.028 26.085 21.890 1.00 44.01 C ATOM 442 O VAL A 29 1.938 24.920 22.280 1.00 11.22 O ATOM 443 CB VAL A 29 2.347 27.772 23.702 1.00 62.44 C ATOM 444 CG1 VAL A 29 1.268 28.717 23.196 1.00 32.40 C ATOM 445 CG2 VAL A 29 1.768 26.765 24.684 1.00 64.41 C ATOM 0 H VAL A 29 3.164 27.874 20.602 1.00 21.44 H new ATOM 0 HA VAL A 29 3.881 26.484 22.898 1.00 5.13 H new ATOM 0 HB VAL A 29 3.099 28.364 24.225 1.00 62.44 H new ATOM 0 HG11 VAL A 29 0.799 29.220 24.042 1.00 32.40 H new ATOM 0 HG12 VAL A 29 1.715 29.459 22.535 1.00 32.40 H new ATOM 0 HG13 VAL A 29 0.515 28.150 22.649 1.00 32.40 H new ATOM 0 HG21 VAL A 29 1.292 27.294 25.510 1.00 64.41 H new ATOM 0 HG22 VAL A 29 1.029 26.145 24.176 1.00 64.41 H new ATOM 0 HG23 VAL A 29 2.567 26.133 25.071 1.00 64.41 H new ATOM 455 N LEU A 30 1.281 26.579 20.909 1.00 33.13 N ATOM 456 CA LEU A 30 0.288 25.763 20.219 1.00 60.33 C ATOM 457 C LEU A 30 -0.843 25.366 21.162 1.00 2.35 C ATOM 458 O LEU A 30 -0.967 24.202 21.543 1.00 21.04 O ATOM 459 CB LEU A 30 0.945 24.510 19.637 1.00 73.23 C ATOM 460 CG LEU A 30 0.258 23.898 18.415 1.00 42.11 C ATOM 461 CD1 LEU A 30 1.076 24.155 17.159 1.00 50.03 C ATOM 462 CD2 LEU A 30 0.042 22.405 18.616 1.00 14.45 C ATOM 0 H LEU A 30 1.344 27.540 20.573 1.00 33.13 H new ATOM 0 HA LEU A 30 -0.133 26.357 19.407 1.00 60.33 H new ATOM 0 HB2 LEU A 30 1.972 24.755 19.367 1.00 73.23 H new ATOM 0 HB3 LEU A 30 0.993 23.752 20.419 1.00 73.23 H new ATOM 0 HG LEU A 30 -0.716 24.373 18.294 1.00 42.11 H new ATOM 0 HD11 LEU A 30 0.572 23.713 16.300 1.00 50.03 H new ATOM 0 HD12 LEU A 30 1.179 25.229 17.006 1.00 50.03 H new ATOM 0 HD13 LEU A 30 2.064 23.708 17.270 1.00 50.03 H new ATOM 0 HD21 LEU A 30 -0.448 21.987 17.737 1.00 14.45 H new ATOM 0 HD22 LEU A 30 1.004 21.915 18.763 1.00 14.45 H new ATOM 0 HD23 LEU A 30 -0.585 22.243 19.492 1.00 14.45 H new ATOM 474 N ILE A 31 -1.666 26.341 21.534 1.00 43.32 N ATOM 475 CA ILE A 31 -2.788 26.093 22.430 1.00 71.01 C ATOM 476 C ILE A 31 -3.933 27.063 22.158 1.00 32.34 C ATOM 477 O ILE A 31 -3.734 28.179 21.678 1.00 20.33 O ATOM 478 CB ILE A 31 -2.367 26.214 23.906 1.00 31.14 C ATOM 479 CG1 ILE A 31 -1.811 27.611 24.188 1.00 3.10 C ATOM 480 CG2 ILE A 31 -1.338 25.148 24.253 1.00 40.23 C ATOM 481 CD1 ILE A 31 -2.865 28.606 24.619 1.00 55.02 C ATOM 0 H ILE A 31 -1.576 27.310 21.228 1.00 43.32 H new ATOM 0 HA ILE A 31 -3.125 25.074 22.240 1.00 71.01 H new ATOM 0 HB ILE A 31 -3.246 26.060 24.532 1.00 31.14 H new ATOM 0 HG12 ILE A 31 -1.050 27.540 24.966 1.00 3.10 H new ATOM 0 HG13 ILE A 31 -1.316 27.984 23.291 1.00 3.10 H new ATOM 0 HG21 ILE A 31 -1.050 25.247 25.300 1.00 40.23 H new ATOM 0 HG22 ILE A 31 -1.767 24.160 24.086 1.00 40.23 H new ATOM 0 HG23 ILE A 31 -0.458 25.272 23.622 1.00 40.23 H new ATOM 0 HD11 ILE A 31 -2.398 29.574 24.802 1.00 55.02 H new ATOM 0 HD12 ILE A 31 -3.614 28.706 23.833 1.00 55.02 H new ATOM 0 HD13 ILE A 31 -3.344 28.256 25.533 1.00 55.02 H new ATOM 493 N PRO A 32 -5.163 26.630 22.474 1.00 22.51 N ATOM 494 CA PRO A 32 -6.365 27.445 22.275 1.00 23.12 C ATOM 495 C PRO A 32 -6.428 28.628 23.236 1.00 73.44 C ATOM 496 O PRO A 32 -6.161 28.485 24.428 1.00 22.11 O ATOM 497 CB PRO A 32 -7.508 26.466 22.556 1.00 43.23 C ATOM 498 CG PRO A 32 -6.915 25.441 23.460 1.00 73.02 C ATOM 499 CD PRO A 32 -5.474 25.311 23.050 1.00 34.41 C ATOM 0 HA PRO A 32 -6.399 27.886 21.279 1.00 23.12 H new ATOM 0 HB2 PRO A 32 -8.353 26.968 23.027 1.00 43.23 H new ATOM 0 HB3 PRO A 32 -7.878 26.015 21.635 1.00 43.23 H new ATOM 0 HG2 PRO A 32 -6.998 25.746 24.503 1.00 73.02 H new ATOM 0 HG3 PRO A 32 -7.435 24.488 23.364 1.00 73.02 H new ATOM 0 HD2 PRO A 32 -4.833 25.083 23.902 1.00 34.41 H new ATOM 0 HD3 PRO A 32 -5.334 24.512 22.322 1.00 34.41 H new ATOM 507 N GLU A 33 -6.785 29.794 22.707 1.00 4.55 N ATOM 508 CA GLU A 33 -6.883 31.002 23.520 1.00 65.44 C ATOM 509 C GLU A 33 -8.074 31.852 23.088 1.00 1.15 C ATOM 510 O GLU A 33 -9.101 31.890 23.767 1.00 4.34 O ATOM 511 CB GLU A 33 -5.594 31.819 23.415 1.00 44.41 C ATOM 512 CG GLU A 33 -4.622 31.572 24.556 1.00 4.33 C ATOM 513 CD GLU A 33 -4.678 32.656 25.616 1.00 71.33 C ATOM 514 OE1 GLU A 33 -3.688 33.404 25.751 1.00 5.32 O ATOM 515 OE2 GLU A 33 -5.712 32.755 26.309 1.00 2.10 O ATOM 0 H GLU A 33 -7.011 29.928 21.721 1.00 4.55 H new ATOM 0 HA GLU A 33 -7.030 30.701 24.557 1.00 65.44 H new ATOM 0 HB2 GLU A 33 -5.101 31.584 22.472 1.00 44.41 H new ATOM 0 HB3 GLU A 33 -5.847 32.879 23.387 1.00 44.41 H new ATOM 0 HG2 GLU A 33 -4.844 30.609 25.015 1.00 4.33 H new ATOM 0 HG3 GLU A 33 -3.609 31.510 24.158 1.00 4.33 H new ATOM 522 N ILE A 34 -7.929 32.533 21.957 1.00 63.34 N ATOM 523 CA ILE A 34 -8.992 33.382 21.435 1.00 51.03 C ATOM 524 C ILE A 34 -8.594 34.003 20.100 1.00 55.01 C ATOM 525 O ILE A 34 -9.415 34.125 19.192 1.00 52.23 O ATOM 526 CB ILE A 34 -9.352 34.506 22.424 1.00 3.02 C ATOM 527 CG1 ILE A 34 -10.431 35.413 21.829 1.00 4.22 C ATOM 528 CG2 ILE A 34 -8.113 35.313 22.783 1.00 65.52 C ATOM 529 CD1 ILE A 34 -11.608 35.637 22.752 1.00 1.51 C ATOM 0 H ILE A 34 -7.085 32.513 21.384 1.00 63.34 H new ATOM 0 HA ILE A 34 -9.863 32.743 21.291 1.00 51.03 H new ATOM 0 HB ILE A 34 -9.745 34.055 23.335 1.00 3.02 H new ATOM 0 HG12 ILE A 34 -9.987 36.377 21.579 1.00 4.22 H new ATOM 0 HG13 ILE A 34 -10.789 34.975 20.897 1.00 4.22 H new ATOM 0 HG21 ILE A 34 -8.384 36.104 23.483 1.00 65.52 H new ATOM 0 HG22 ILE A 34 -7.373 34.658 23.244 1.00 65.52 H new ATOM 0 HG23 ILE A 34 -7.693 35.756 21.880 1.00 65.52 H new ATOM 0 HD11 ILE A 34 -12.333 36.289 22.265 1.00 1.51 H new ATOM 0 HD12 ILE A 34 -12.077 34.680 22.982 1.00 1.51 H new ATOM 0 HD13 ILE A 34 -11.263 36.103 23.675 1.00 1.51 H new ATOM 541 N ASN A 35 -7.329 34.392 19.988 1.00 4.33 N ATOM 542 CA ASN A 35 -6.821 35.000 18.764 1.00 61.25 C ATOM 543 C ASN A 35 -5.691 34.164 18.169 1.00 34.23 C ATOM 544 O ASN A 35 -4.824 34.683 17.466 1.00 43.01 O ATOM 545 CB ASN A 35 -6.327 36.421 19.041 1.00 1.02 C ATOM 546 CG ASN A 35 -6.171 37.237 17.773 1.00 53.33 C ATOM 547 OD1 ASN A 35 -5.061 37.424 17.274 1.00 55.04 O ATOM 548 ND2 ASN A 35 -7.287 37.728 17.245 1.00 45.41 N ATOM 0 H ASN A 35 -6.636 34.297 20.730 1.00 4.33 H new ATOM 0 HA ASN A 35 -7.638 35.041 18.043 1.00 61.25 H new ATOM 0 HB2 ASN A 35 -7.028 36.923 19.708 1.00 1.02 H new ATOM 0 HB3 ASN A 35 -5.370 36.375 19.560 1.00 1.02 H new ATOM 0 HD21 ASN A 35 -7.245 38.285 16.392 1.00 45.41 H new ATOM 0 HD22 ASN A 35 -8.185 37.548 17.693 1.00 45.41 H new ATOM 555 N LEU A 36 -5.709 32.867 18.456 1.00 22.13 N ATOM 556 CA LEU A 36 -4.687 31.958 17.950 1.00 24.51 C ATOM 557 C LEU A 36 -5.297 30.918 17.015 1.00 10.31 C ATOM 558 O LEU A 36 -4.587 30.256 16.260 1.00 73.14 O ATOM 559 CB LEU A 36 -3.976 31.260 19.111 1.00 2.44 C ATOM 560 CG LEU A 36 -3.179 30.005 18.754 1.00 11.13 C ATOM 561 CD1 LEU A 36 -1.961 29.872 19.655 1.00 44.15 C ATOM 562 CD2 LEU A 36 -4.059 28.768 18.858 1.00 63.30 C ATOM 0 H LEU A 36 -6.420 32.422 19.036 1.00 22.13 H new ATOM 0 HA LEU A 36 -3.961 32.545 17.387 1.00 24.51 H new ATOM 0 HB2 LEU A 36 -3.299 31.975 19.579 1.00 2.44 H new ATOM 0 HB3 LEU A 36 -4.722 30.992 19.859 1.00 2.44 H new ATOM 0 HG LEU A 36 -2.835 30.097 17.724 1.00 11.13 H new ATOM 0 HD11 LEU A 36 -1.406 28.973 19.386 1.00 44.15 H new ATOM 0 HD12 LEU A 36 -1.320 30.745 19.531 1.00 44.15 H new ATOM 0 HD13 LEU A 36 -2.283 29.803 20.694 1.00 44.15 H new ATOM 0 HD21 LEU A 36 -3.476 27.884 18.601 1.00 63.30 H new ATOM 0 HD22 LEU A 36 -4.433 28.672 19.877 1.00 63.30 H new ATOM 0 HD23 LEU A 36 -4.900 28.861 18.171 1.00 63.30 H new ATOM 574 N ASN A 37 -6.618 30.783 17.071 1.00 51.11 N ATOM 575 CA ASN A 37 -7.325 29.826 16.228 1.00 64.33 C ATOM 576 C ASN A 37 -7.292 30.260 14.766 1.00 42.44 C ATOM 577 O ASN A 37 -6.740 29.565 13.913 1.00 62.02 O ATOM 578 CB ASN A 37 -8.774 29.676 16.694 1.00 30.24 C ATOM 579 CG ASN A 37 -8.953 28.525 17.665 1.00 23.43 C ATOM 580 OD1 ASN A 37 -9.216 28.732 18.850 1.00 55.23 O ATOM 581 ND2 ASN A 37 -8.809 27.302 17.166 1.00 0.44 N ATOM 0 H ASN A 37 -7.220 31.324 17.691 1.00 51.11 H new ATOM 0 HA ASN A 37 -6.821 28.863 16.314 1.00 64.33 H new ATOM 0 HB2 ASN A 37 -9.098 30.602 17.169 1.00 30.24 H new ATOM 0 HB3 ASN A 37 -9.417 29.520 15.828 1.00 30.24 H new ATOM 0 HD21 ASN A 37 -8.916 26.488 17.771 1.00 0.44 H new ATOM 0 HD22 ASN A 37 -8.591 27.177 16.177 1.00 0.44 H new ATOM 588 N ASP A 38 -7.886 31.415 14.484 1.00 22.20 N ATOM 589 CA ASP A 38 -7.923 31.944 13.126 1.00 75.13 C ATOM 590 C ASP A 38 -6.518 32.041 12.541 1.00 3.12 C ATOM 591 O ASP A 38 -6.331 31.960 11.327 1.00 51.04 O ATOM 592 CB ASP A 38 -8.592 33.319 13.110 1.00 51.43 C ATOM 593 CG ASP A 38 -9.990 33.290 13.696 1.00 40.52 C ATOM 594 OD1 ASP A 38 -10.617 32.210 13.684 1.00 44.03 O ATOM 595 OD2 ASP A 38 -10.457 34.348 14.167 1.00 11.03 O ATOM 0 H ASP A 38 -8.348 32.002 15.178 1.00 22.20 H new ATOM 0 HA ASP A 38 -8.505 31.258 12.511 1.00 75.13 H new ATOM 0 HB2 ASP A 38 -7.980 34.024 13.673 1.00 51.43 H new ATOM 0 HB3 ASP A 38 -8.639 33.685 12.084 1.00 51.43 H new ATOM 600 N THR A 39 -5.530 32.217 13.414 1.00 72.32 N ATOM 601 CA THR A 39 -4.142 32.327 12.985 1.00 42.43 C ATOM 602 C THR A 39 -3.544 30.955 12.698 1.00 22.21 C ATOM 603 O THR A 39 -3.031 30.706 11.607 1.00 71.52 O ATOM 604 CB THR A 39 -3.281 33.038 14.046 1.00 41.52 C ATOM 605 OG1 THR A 39 -4.059 33.285 15.223 1.00 45.24 O ATOM 606 CG2 THR A 39 -2.735 34.353 13.508 1.00 60.51 C ATOM 0 H THR A 39 -5.666 32.286 14.422 1.00 72.32 H new ATOM 0 HA THR A 39 -4.141 32.919 12.070 1.00 42.43 H new ATOM 0 HB THR A 39 -2.441 32.389 14.295 1.00 41.52 H new ATOM 0 HG1 THR A 39 -3.749 34.109 15.653 1.00 45.24 H new ATOM 0 HG21 THR A 39 -2.130 34.837 14.275 1.00 60.51 H new ATOM 0 HG22 THR A 39 -2.120 34.159 12.629 1.00 60.51 H new ATOM 0 HG23 THR A 39 -3.564 35.006 13.234 1.00 60.51 H new ATOM 614 N PHE A 40 -3.613 30.067 13.684 1.00 31.32 N ATOM 615 CA PHE A 40 -3.078 28.718 13.538 1.00 42.24 C ATOM 616 C PHE A 40 -3.747 27.991 12.375 1.00 31.21 C ATOM 617 O PHE A 40 -3.090 27.287 11.608 1.00 22.23 O ATOM 618 CB PHE A 40 -3.274 27.925 14.831 1.00 14.12 C ATOM 619 CG PHE A 40 -2.535 26.618 14.851 1.00 20.13 C ATOM 620 CD1 PHE A 40 -1.218 26.545 14.428 1.00 42.34 C ATOM 621 CD2 PHE A 40 -3.157 25.462 15.293 1.00 34.53 C ATOM 622 CE1 PHE A 40 -0.534 25.344 14.445 1.00 13.01 C ATOM 623 CE2 PHE A 40 -2.479 24.258 15.313 1.00 21.44 C ATOM 624 CZ PHE A 40 -1.166 24.199 14.888 1.00 72.54 C ATOM 0 H PHE A 40 -4.034 30.257 14.593 1.00 31.32 H new ATOM 0 HA PHE A 40 -2.011 28.798 13.328 1.00 42.24 H new ATOM 0 HB2 PHE A 40 -2.944 28.533 15.674 1.00 14.12 H new ATOM 0 HB3 PHE A 40 -4.338 27.734 14.973 1.00 14.12 H new ATOM 0 HD1 PHE A 40 -0.719 27.438 14.081 1.00 42.34 H new ATOM 0 HD2 PHE A 40 -4.184 25.502 15.626 1.00 34.53 H new ATOM 0 HE1 PHE A 40 0.493 25.301 14.112 1.00 13.01 H new ATOM 0 HE2 PHE A 40 -2.975 23.364 15.661 1.00 21.44 H new ATOM 0 HZ PHE A 40 -0.635 23.259 14.902 1.00 72.54 H new ATOM 634 N ASP A 41 -5.058 28.166 12.252 1.00 71.11 N ATOM 635 CA ASP A 41 -5.818 27.527 11.183 1.00 3.24 C ATOM 636 C ASP A 41 -5.266 27.918 9.816 1.00 63.31 C ATOM 637 O ASP A 41 -4.833 27.064 9.041 1.00 22.45 O ATOM 638 CB ASP A 41 -7.295 27.911 11.279 1.00 32.13 C ATOM 639 CG ASP A 41 -8.214 26.800 10.810 1.00 24.43 C ATOM 640 OD1 ASP A 41 -8.406 26.666 9.583 1.00 5.13 O ATOM 641 OD2 ASP A 41 -8.740 26.063 11.670 1.00 24.31 O ATOM 0 H ASP A 41 -5.617 28.745 12.879 1.00 71.11 H new ATOM 0 HA ASP A 41 -5.723 26.447 11.298 1.00 3.24 H new ATOM 0 HB2 ASP A 41 -7.535 28.165 12.311 1.00 32.13 H new ATOM 0 HB3 ASP A 41 -7.475 28.804 10.681 1.00 32.13 H new ATOM 646 N THR A 42 -5.285 29.215 9.524 1.00 62.41 N ATOM 647 CA THR A 42 -4.789 29.719 8.250 1.00 63.54 C ATOM 648 C THR A 42 -3.337 29.311 8.025 1.00 41.40 C ATOM 649 O THR A 42 -2.865 29.260 6.889 1.00 4.41 O ATOM 650 CB THR A 42 -4.898 31.253 8.171 1.00 5.05 C ATOM 651 OG1 THR A 42 -5.201 31.655 6.831 1.00 12.01 O ATOM 652 CG2 THR A 42 -3.602 31.911 8.623 1.00 53.14 C ATOM 0 H THR A 42 -5.639 29.935 10.153 1.00 62.41 H new ATOM 0 HA THR A 42 -5.412 29.278 7.472 1.00 63.54 H new ATOM 0 HB THR A 42 -5.701 31.573 8.835 1.00 5.05 H new ATOM 0 HG1 THR A 42 -5.270 32.632 6.790 1.00 12.01 H new ATOM 0 HG21 THR A 42 -3.702 32.994 8.559 1.00 53.14 H new ATOM 0 HG22 THR A 42 -3.390 31.627 9.654 1.00 53.14 H new ATOM 0 HG23 THR A 42 -2.784 31.584 7.981 1.00 53.14 H new ATOM 660 N PHE A 43 -2.633 29.021 9.114 1.00 12.53 N ATOM 661 CA PHE A 43 -1.234 28.619 9.036 1.00 61.32 C ATOM 662 C PHE A 43 -1.110 27.175 8.557 1.00 45.34 C ATOM 663 O PHE A 43 -0.414 26.891 7.582 1.00 2.51 O ATOM 664 CB PHE A 43 -0.559 28.775 10.400 1.00 21.11 C ATOM 665 CG PHE A 43 0.941 28.716 10.337 1.00 14.41 C ATOM 666 CD1 PHE A 43 1.661 28.023 11.296 1.00 70.51 C ATOM 667 CD2 PHE A 43 1.630 29.356 9.319 1.00 31.23 C ATOM 668 CE1 PHE A 43 3.041 27.966 11.241 1.00 50.32 C ATOM 669 CE2 PHE A 43 3.010 29.303 9.259 1.00 74.33 C ATOM 670 CZ PHE A 43 3.716 28.608 10.221 1.00 1.32 C ATOM 0 H PHE A 43 -3.009 29.057 10.062 1.00 12.53 H new ATOM 0 HA PHE A 43 -0.735 29.267 8.316 1.00 61.32 H new ATOM 0 HB2 PHE A 43 -0.859 29.727 10.838 1.00 21.11 H new ATOM 0 HB3 PHE A 43 -0.918 27.990 11.066 1.00 21.11 H new ATOM 0 HD1 PHE A 43 1.138 27.521 12.096 1.00 70.51 H new ATOM 0 HD2 PHE A 43 1.083 29.902 8.565 1.00 31.23 H new ATOM 0 HE1 PHE A 43 3.590 27.421 11.994 1.00 50.32 H new ATOM 0 HE2 PHE A 43 3.536 29.805 8.460 1.00 74.33 H new ATOM 0 HZ PHE A 43 4.794 28.566 10.176 1.00 1.32 H new ATOM 680 N ALA A 44 -1.789 26.267 9.250 1.00 41.43 N ATOM 681 CA ALA A 44 -1.756 24.854 8.895 1.00 33.00 C ATOM 682 C ALA A 44 -2.471 24.604 7.571 1.00 24.53 C ATOM 683 O ALA A 44 -1.951 23.912 6.694 1.00 4.34 O ATOM 684 CB ALA A 44 -2.382 24.018 10.001 1.00 32.33 C ATOM 0 H ALA A 44 -2.369 26.485 10.061 1.00 41.43 H new ATOM 0 HA ALA A 44 -0.714 24.558 8.776 1.00 33.00 H new ATOM 0 HB1 ALA A 44 -2.351 22.965 9.723 1.00 32.33 H new ATOM 0 HB2 ALA A 44 -1.827 24.165 10.927 1.00 32.33 H new ATOM 0 HB3 ALA A 44 -3.418 24.324 10.147 1.00 32.33 H new ATOM 690 N LEU A 45 -3.665 25.169 7.433 1.00 61.41 N ATOM 691 CA LEU A 45 -4.452 25.006 6.215 1.00 23.12 C ATOM 692 C LEU A 45 -3.599 25.263 4.977 1.00 4.02 C ATOM 693 O LEU A 45 -3.425 24.381 4.136 1.00 35.32 O ATOM 694 CB LEU A 45 -5.651 25.956 6.229 1.00 63.34 C ATOM 695 CG LEU A 45 -6.891 25.482 5.469 1.00 3.24 C ATOM 696 CD1 LEU A 45 -6.512 24.998 4.078 1.00 32.45 C ATOM 697 CD2 LEU A 45 -7.603 24.383 6.244 1.00 64.41 C ATOM 0 H LEU A 45 -4.110 25.744 8.149 1.00 61.41 H new ATOM 0 HA LEU A 45 -4.811 23.978 6.178 1.00 23.12 H new ATOM 0 HB2 LEU A 45 -5.933 26.139 7.266 1.00 63.34 H new ATOM 0 HB3 LEU A 45 -5.337 26.912 5.811 1.00 63.34 H new ATOM 0 HG LEU A 45 -7.574 26.325 5.363 1.00 3.24 H new ATOM 0 HD11 LEU A 45 -7.407 24.665 3.552 1.00 32.45 H new ATOM 0 HD12 LEU A 45 -6.048 25.813 3.523 1.00 32.45 H new ATOM 0 HD13 LEU A 45 -5.809 24.169 4.160 1.00 32.45 H new ATOM 0 HD21 LEU A 45 -8.483 24.058 5.689 1.00 64.41 H new ATOM 0 HD22 LEU A 45 -6.928 23.538 6.381 1.00 64.41 H new ATOM 0 HD23 LEU A 45 -7.909 24.765 7.218 1.00 64.41 H new ATOM 709 N ASP A 46 -3.067 26.476 4.873 1.00 25.33 N ATOM 710 CA ASP A 46 -2.228 26.848 3.740 1.00 52.33 C ATOM 711 C ASP A 46 -1.172 25.781 3.471 1.00 72.22 C ATOM 712 O ASP A 46 -0.970 25.367 2.329 1.00 21.51 O ATOM 713 CB ASP A 46 -1.554 28.197 3.998 1.00 20.31 C ATOM 714 CG ASP A 46 -1.602 29.109 2.788 1.00 10.24 C ATOM 715 OD1 ASP A 46 -2.709 29.567 2.434 1.00 43.22 O ATOM 716 OD2 ASP A 46 -0.533 29.366 2.197 1.00 40.22 O ATOM 0 H ASP A 46 -3.202 27.218 5.560 1.00 25.33 H new ATOM 0 HA ASP A 46 -2.866 26.932 2.860 1.00 52.33 H new ATOM 0 HB2 ASP A 46 -2.042 28.689 4.839 1.00 20.31 H new ATOM 0 HB3 ASP A 46 -0.515 28.032 4.284 1.00 20.31 H new ATOM 721 N PHE A 47 -0.501 25.340 4.529 1.00 4.14 N ATOM 722 CA PHE A 47 0.537 24.322 4.407 1.00 15.35 C ATOM 723 C PHE A 47 -0.022 23.049 3.778 1.00 10.41 C ATOM 724 O PHE A 47 0.533 22.527 2.812 1.00 70.33 O ATOM 725 CB PHE A 47 1.134 24.006 5.780 1.00 44.10 C ATOM 726 CG PHE A 47 2.506 24.584 5.984 1.00 72.32 C ATOM 727 CD1 PHE A 47 3.551 24.235 5.144 1.00 72.05 C ATOM 728 CD2 PHE A 47 2.750 25.475 7.016 1.00 21.13 C ATOM 729 CE1 PHE A 47 4.814 24.765 5.328 1.00 20.11 C ATOM 730 CE2 PHE A 47 4.011 26.008 7.205 1.00 10.45 C ATOM 731 CZ PHE A 47 5.044 25.652 6.361 1.00 5.02 C ATOM 0 H PHE A 47 -0.657 25.671 5.481 1.00 4.14 H new ATOM 0 HA PHE A 47 1.321 24.713 3.759 1.00 15.35 H new ATOM 0 HB2 PHE A 47 0.468 24.389 6.554 1.00 44.10 H new ATOM 0 HB3 PHE A 47 1.181 22.924 5.907 1.00 44.10 H new ATOM 0 HD1 PHE A 47 3.377 23.540 4.336 1.00 72.05 H new ATOM 0 HD2 PHE A 47 1.946 25.756 7.680 1.00 21.13 H new ATOM 0 HE1 PHE A 47 5.620 24.486 4.665 1.00 20.11 H new ATOM 0 HE2 PHE A 47 4.188 26.703 8.013 1.00 10.45 H new ATOM 0 HZ PHE A 47 6.030 26.067 6.508 1.00 5.02 H new ATOM 741 N SER A 48 -1.124 22.556 4.334 1.00 21.31 N ATOM 742 CA SER A 48 -1.756 21.342 3.831 1.00 60.20 C ATOM 743 C SER A 48 -2.013 21.445 2.331 1.00 73.03 C ATOM 744 O SER A 48 -1.719 20.519 1.574 1.00 11.33 O ATOM 745 CB SER A 48 -3.071 21.083 4.569 1.00 61.22 C ATOM 746 OG SER A 48 -3.089 19.786 5.139 1.00 24.25 O ATOM 0 H SER A 48 -1.598 22.978 5.133 1.00 21.31 H new ATOM 0 HA SER A 48 -1.077 20.508 4.009 1.00 60.20 H new ATOM 0 HB2 SER A 48 -3.205 21.830 5.352 1.00 61.22 H new ATOM 0 HB3 SER A 48 -3.907 21.192 3.878 1.00 61.22 H new ATOM 0 HG SER A 48 -3.939 19.646 5.606 1.00 24.25 H new ATOM 752 N ARG A 49 -2.565 22.578 1.908 1.00 64.01 N ATOM 753 CA ARG A 49 -2.863 22.803 0.499 1.00 72.03 C ATOM 754 C ARG A 49 -1.674 22.418 -0.377 1.00 55.21 C ATOM 755 O ARG A 49 -1.841 21.807 -1.432 1.00 53.21 O ATOM 756 CB ARG A 49 -3.232 24.269 0.261 1.00 31.53 C ATOM 757 CG ARG A 49 -3.332 24.641 -1.209 1.00 30.11 C ATOM 758 CD ARG A 49 -4.450 23.877 -1.902 1.00 45.42 C ATOM 759 NE ARG A 49 -5.287 24.753 -2.718 1.00 1.25 N ATOM 760 CZ ARG A 49 -6.234 25.539 -2.217 1.00 71.23 C ATOM 761 NH1 ARG A 49 -6.463 25.558 -0.911 1.00 43.15 N ATOM 762 NH2 ARG A 49 -6.955 26.308 -3.024 1.00 25.41 N ATOM 0 H ARG A 49 -2.815 23.354 2.521 1.00 64.01 H new ATOM 0 HA ARG A 49 -3.711 22.173 0.228 1.00 72.03 H new ATOM 0 HB2 ARG A 49 -4.186 24.478 0.746 1.00 31.53 H new ATOM 0 HB3 ARG A 49 -2.486 24.905 0.738 1.00 31.53 H new ATOM 0 HG2 ARG A 49 -3.509 25.712 -1.303 1.00 30.11 H new ATOM 0 HG3 ARG A 49 -2.384 24.430 -1.704 1.00 30.11 H new ATOM 0 HD2 ARG A 49 -4.021 23.097 -2.531 1.00 45.42 H new ATOM 0 HD3 ARG A 49 -5.067 23.380 -1.154 1.00 45.42 H new ATOM 0 HE ARG A 49 -5.136 24.762 -3.727 1.00 1.25 H new ATOM 0 HH11 ARG A 49 -5.911 24.968 -0.288 1.00 43.15 H new ATOM 0 HH12 ARG A 49 -7.191 26.162 -0.530 1.00 43.15 H new ATOM 0 HH21 ARG A 49 -6.782 26.296 -4.029 1.00 25.41 H new ATOM 0 HH22 ARG A 49 -7.682 26.911 -2.639 1.00 25.41 H new ATOM 776 N GLU A 50 -0.476 22.781 0.068 1.00 4.04 N ATOM 777 CA GLU A 50 0.740 22.475 -0.676 1.00 61.42 C ATOM 778 C GLU A 50 1.156 21.022 -0.464 1.00 64.11 C ATOM 779 O GLU A 50 1.758 20.402 -1.341 1.00 64.11 O ATOM 780 CB GLU A 50 1.875 23.409 -0.251 1.00 15.05 C ATOM 781 CG GLU A 50 2.507 24.165 -1.407 1.00 14.20 C ATOM 782 CD GLU A 50 2.835 23.265 -2.583 1.00 14.34 C ATOM 783 OE1 GLU A 50 2.349 23.547 -3.698 1.00 50.22 O ATOM 784 OE2 GLU A 50 3.576 22.280 -2.387 1.00 70.34 O ATOM 0 H GLU A 50 -0.321 23.287 0.940 1.00 4.04 H new ATOM 0 HA GLU A 50 0.534 22.626 -1.736 1.00 61.42 H new ATOM 0 HB2 GLU A 50 1.491 24.126 0.475 1.00 15.05 H new ATOM 0 HB3 GLU A 50 2.645 22.825 0.254 1.00 15.05 H new ATOM 0 HG2 GLU A 50 1.829 24.953 -1.735 1.00 14.20 H new ATOM 0 HG3 GLU A 50 3.419 24.653 -1.062 1.00 14.20 H new ATOM 791 N LYS A 51 0.832 20.485 0.707 1.00 71.40 N ATOM 792 CA LYS A 51 1.170 19.105 1.036 1.00 2.15 C ATOM 793 C LYS A 51 0.519 18.136 0.055 1.00 33.23 C ATOM 794 O LYS A 51 1.044 17.053 -0.205 1.00 34.12 O ATOM 795 CB LYS A 51 0.727 18.777 2.464 1.00 24.21 C ATOM 796 CG LYS A 51 -0.628 18.096 2.539 1.00 32.20 C ATOM 797 CD LYS A 51 -0.495 16.583 2.499 1.00 20.41 C ATOM 798 CE LYS A 51 -1.826 15.914 2.193 1.00 33.21 C ATOM 799 NZ LYS A 51 -1.737 14.430 2.288 1.00 3.42 N ATOM 0 H LYS A 51 0.335 20.985 1.445 1.00 71.40 H new ATOM 0 HA LYS A 51 2.252 18.995 0.963 1.00 2.15 H new ATOM 0 HB2 LYS A 51 1.474 18.133 2.928 1.00 24.21 H new ATOM 0 HB3 LYS A 51 0.694 19.698 3.046 1.00 24.21 H new ATOM 0 HG2 LYS A 51 -1.135 18.393 3.457 1.00 32.20 H new ATOM 0 HG3 LYS A 51 -1.250 18.429 1.709 1.00 32.20 H new ATOM 0 HD2 LYS A 51 0.237 16.301 1.743 1.00 20.41 H new ATOM 0 HD3 LYS A 51 -0.118 16.224 3.457 1.00 20.41 H new ATOM 0 HE2 LYS A 51 -2.583 16.277 2.888 1.00 33.21 H new ATOM 0 HE3 LYS A 51 -2.152 16.195 1.191 1.00 33.21 H new ATOM 0 HZ1 LYS A 51 -2.665 14.012 2.072 1.00 3.42 H new ATOM 0 HZ2 LYS A 51 -1.033 14.080 1.607 1.00 3.42 H new ATOM 0 HZ3 LYS A 51 -1.451 14.160 3.251 1.00 3.42 H new ATOM 813 N LYS A 52 -0.627 18.532 -0.488 1.00 52.20 N ATOM 814 CA LYS A 52 -1.350 17.700 -1.443 1.00 43.51 C ATOM 815 C LYS A 52 -0.777 17.862 -2.848 1.00 14.43 C ATOM 816 O LYS A 52 -0.399 16.883 -3.492 1.00 23.04 O ATOM 817 CB LYS A 52 -2.837 18.061 -1.442 1.00 41.31 C ATOM 818 CG LYS A 52 -3.352 18.516 -0.087 1.00 64.23 C ATOM 819 CD LYS A 52 -4.854 18.320 0.033 1.00 43.32 C ATOM 820 CE LYS A 52 -5.394 18.927 1.319 1.00 43.13 C ATOM 821 NZ LYS A 52 -6.698 18.325 1.712 1.00 64.44 N ATOM 0 H LYS A 52 -1.076 19.425 -0.283 1.00 52.20 H new ATOM 0 HA LYS A 52 -1.235 16.659 -1.140 1.00 43.51 H new ATOM 0 HB2 LYS A 52 -3.011 18.852 -2.172 1.00 41.31 H new ATOM 0 HB3 LYS A 52 -3.413 17.195 -1.768 1.00 41.31 H new ATOM 0 HG2 LYS A 52 -2.847 17.958 0.701 1.00 64.23 H new ATOM 0 HG3 LYS A 52 -3.108 19.568 0.061 1.00 64.23 H new ATOM 0 HD2 LYS A 52 -5.351 18.776 -0.823 1.00 43.32 H new ATOM 0 HD3 LYS A 52 -5.086 17.255 0.006 1.00 43.32 H new ATOM 0 HE2 LYS A 52 -4.670 18.781 2.121 1.00 43.13 H new ATOM 0 HE3 LYS A 52 -5.515 20.003 1.190 1.00 43.13 H new ATOM 0 HZ1 LYS A 52 -7.032 18.765 2.593 1.00 64.44 H new ATOM 0 HZ2 LYS A 52 -7.396 18.486 0.958 1.00 64.44 H new ATOM 0 HZ3 LYS A 52 -6.578 17.303 1.860 1.00 64.44 H new ATOM 835 N LEU A 53 -0.716 19.104 -3.317 1.00 21.31 N ATOM 836 CA LEU A 53 -0.188 19.394 -4.645 1.00 42.14 C ATOM 837 C LEU A 53 1.182 18.752 -4.839 1.00 61.02 C ATOM 838 O LEU A 53 1.575 18.427 -5.961 1.00 14.52 O ATOM 839 CB LEU A 53 -0.090 20.906 -4.857 1.00 63.25 C ATOM 840 CG LEU A 53 -0.704 21.444 -6.150 1.00 74.42 C ATOM 841 CD1 LEU A 53 -2.217 21.534 -6.025 1.00 33.15 C ATOM 842 CD2 LEU A 53 -0.114 22.803 -6.496 1.00 71.34 C ATOM 0 H LEU A 53 -1.026 19.925 -2.797 1.00 21.31 H new ATOM 0 HA LEU A 53 -0.873 18.973 -5.381 1.00 42.14 H new ATOM 0 HB2 LEU A 53 -0.572 21.403 -4.015 1.00 63.25 H new ATOM 0 HB3 LEU A 53 0.962 21.189 -4.833 1.00 63.25 H new ATOM 0 HG LEU A 53 -0.467 20.751 -6.958 1.00 74.42 H new ATOM 0 HD11 LEU A 53 -2.637 21.919 -6.954 1.00 33.15 H new ATOM 0 HD12 LEU A 53 -2.625 20.543 -5.825 1.00 33.15 H new ATOM 0 HD13 LEU A 53 -2.475 22.205 -5.205 1.00 33.15 H new ATOM 0 HD21 LEU A 53 -0.563 23.170 -7.419 1.00 71.34 H new ATOM 0 HD22 LEU A 53 -0.320 23.505 -5.688 1.00 71.34 H new ATOM 0 HD23 LEU A 53 0.964 22.709 -6.629 1.00 71.34 H new ATOM 854 N LEU A 54 1.905 18.569 -3.740 1.00 12.23 N ATOM 855 CA LEU A 54 3.231 17.963 -3.788 1.00 11.13 C ATOM 856 C LEU A 54 3.134 16.461 -4.036 1.00 5.24 C ATOM 857 O LEU A 54 3.671 15.949 -5.018 1.00 1.45 O ATOM 858 CB LEU A 54 3.982 18.229 -2.482 1.00 22.20 C ATOM 859 CG LEU A 54 5.373 17.604 -2.369 1.00 21.32 C ATOM 860 CD1 LEU A 54 5.273 16.162 -1.895 1.00 4.00 C ATOM 861 CD2 LEU A 54 6.102 17.680 -3.702 1.00 61.54 C ATOM 0 H LEU A 54 1.595 18.832 -2.804 1.00 12.23 H new ATOM 0 HA LEU A 54 3.781 18.414 -4.614 1.00 11.13 H new ATOM 0 HB2 LEU A 54 4.079 19.307 -2.355 1.00 22.20 H new ATOM 0 HB3 LEU A 54 3.373 17.864 -1.655 1.00 22.20 H new ATOM 0 HG LEU A 54 5.945 18.168 -1.633 1.00 21.32 H new ATOM 0 HD11 LEU A 54 6.272 15.733 -1.820 1.00 4.00 H new ATOM 0 HD12 LEU A 54 4.792 16.133 -0.917 1.00 4.00 H new ATOM 0 HD13 LEU A 54 4.683 15.585 -2.607 1.00 4.00 H new ATOM 0 HD21 LEU A 54 7.090 17.231 -3.603 1.00 61.54 H new ATOM 0 HD22 LEU A 54 5.533 17.141 -4.459 1.00 61.54 H new ATOM 0 HD23 LEU A 54 6.206 18.723 -4.001 1.00 61.54 H new ATOM 873 N GLU A 55 2.445 15.762 -3.140 1.00 22.44 N ATOM 874 CA GLU A 55 2.278 14.318 -3.263 1.00 13.41 C ATOM 875 C GLU A 55 1.549 13.964 -4.556 1.00 64.32 C ATOM 876 O GLU A 55 2.088 13.260 -5.412 1.00 3.43 O ATOM 877 CB GLU A 55 1.505 13.768 -2.062 1.00 63.23 C ATOM 878 CG GLU A 55 1.781 12.300 -1.783 1.00 34.14 C ATOM 879 CD GLU A 55 0.579 11.582 -1.200 1.00 73.55 C ATOM 880 OE1 GLU A 55 0.583 11.312 0.019 1.00 71.20 O ATOM 881 OE2 GLU A 55 -0.365 11.289 -1.964 1.00 33.04 O ATOM 0 H GLU A 55 1.994 16.171 -2.322 1.00 22.44 H new ATOM 0 HA GLU A 55 3.268 13.863 -3.288 1.00 13.41 H new ATOM 0 HB2 GLU A 55 1.760 14.352 -1.178 1.00 63.23 H new ATOM 0 HB3 GLU A 55 0.437 13.902 -2.235 1.00 63.23 H new ATOM 0 HG2 GLU A 55 2.080 11.808 -2.708 1.00 34.14 H new ATOM 0 HG3 GLU A 55 2.620 12.217 -1.092 1.00 34.14 H new ATOM 888 N CYS A 56 0.323 14.455 -4.691 1.00 34.32 N ATOM 889 CA CYS A 56 -0.481 14.189 -5.879 1.00 12.13 C ATOM 890 C CYS A 56 -1.180 15.458 -6.357 1.00 62.42 C ATOM 891 O CYS A 56 -2.199 15.867 -5.799 1.00 23.42 O ATOM 892 CB CYS A 56 -1.516 13.102 -5.587 1.00 31.51 C ATOM 893 SG CYS A 56 -1.010 11.444 -6.101 1.00 63.33 S ATOM 0 H CYS A 56 -0.137 15.040 -3.993 1.00 34.32 H new ATOM 0 HA CYS A 56 0.186 13.843 -6.669 1.00 12.13 H new ATOM 0 HB2 CYS A 56 -1.724 13.091 -4.517 1.00 31.51 H new ATOM 0 HB3 CYS A 56 -2.448 13.358 -6.090 1.00 31.51 H new ATOM 0 HG CYS A 56 -1.950 10.594 -5.810 1.00 63.33 H new ATOM 899 N LEU A 57 -0.625 16.077 -7.393 1.00 51.31 N ATOM 900 CA LEU A 57 -1.194 17.301 -7.947 1.00 2.34 C ATOM 901 C LEU A 57 -2.675 17.119 -8.264 1.00 24.21 C ATOM 902 O LEU A 57 -3.124 16.012 -8.562 1.00 41.25 O ATOM 903 CB LEU A 57 -0.437 17.713 -9.211 1.00 23.35 C ATOM 904 CG LEU A 57 -0.789 16.944 -10.484 1.00 60.43 C ATOM 905 CD1 LEU A 57 -1.466 17.860 -11.491 1.00 44.45 C ATOM 906 CD2 LEU A 57 0.457 16.312 -11.088 1.00 1.21 C ATOM 0 H LEU A 57 0.218 15.752 -7.866 1.00 51.31 H new ATOM 0 HA LEU A 57 -1.096 18.088 -7.199 1.00 2.34 H new ATOM 0 HB2 LEU A 57 -0.617 18.773 -9.389 1.00 23.35 H new ATOM 0 HB3 LEU A 57 0.631 17.598 -9.025 1.00 23.35 H new ATOM 0 HG LEU A 57 -1.486 16.147 -10.223 1.00 60.43 H new ATOM 0 HD11 LEU A 57 -1.709 17.295 -12.391 1.00 44.45 H new ATOM 0 HD12 LEU A 57 -2.381 18.264 -11.058 1.00 44.45 H new ATOM 0 HD13 LEU A 57 -0.794 18.679 -11.747 1.00 44.45 H new ATOM 0 HD21 LEU A 57 0.187 15.769 -11.994 1.00 1.21 H new ATOM 0 HD22 LEU A 57 1.178 17.092 -11.334 1.00 1.21 H new ATOM 0 HD23 LEU A 57 0.900 15.622 -10.370 1.00 1.21 H new ATOM 918 N ASP A 58 -3.427 18.212 -8.199 1.00 71.41 N ATOM 919 CA ASP A 58 -4.857 18.173 -8.483 1.00 10.23 C ATOM 920 C ASP A 58 -5.444 19.581 -8.508 1.00 40.12 C ATOM 921 O ASP A 58 -6.120 20.000 -7.568 1.00 44.00 O ATOM 922 CB ASP A 58 -5.583 17.323 -7.439 1.00 10.44 C ATOM 923 CG ASP A 58 -7.090 17.372 -7.599 1.00 2.24 C ATOM 924 OD1 ASP A 58 -7.593 16.884 -8.632 1.00 33.51 O ATOM 925 OD2 ASP A 58 -7.766 17.898 -6.690 1.00 42.21 O ATOM 0 H ASP A 58 -3.071 19.135 -7.952 1.00 71.41 H new ATOM 0 HA ASP A 58 -4.995 17.723 -9.466 1.00 10.23 H new ATOM 0 HB2 ASP A 58 -5.246 16.290 -7.518 1.00 10.44 H new ATOM 0 HB3 ASP A 58 -5.315 17.671 -6.441 1.00 10.44 H new ATOM 930 N TYR A 59 -5.181 20.307 -9.589 1.00 63.43 N ATOM 931 CA TYR A 59 -5.680 21.669 -9.736 1.00 23.32 C ATOM 932 C TYR A 59 -6.791 21.733 -10.779 1.00 31.50 C ATOM 933 O TYR A 59 -7.253 20.704 -11.275 1.00 15.12 O ATOM 934 CB TYR A 59 -4.541 22.612 -10.129 1.00 33.22 C ATOM 935 CG TYR A 59 -3.935 22.300 -11.478 1.00 61.52 C ATOM 936 CD1 TYR A 59 -2.860 21.427 -11.593 1.00 62.23 C ATOM 937 CD2 TYR A 59 -4.436 22.878 -12.638 1.00 32.41 C ATOM 938 CE1 TYR A 59 -2.302 21.139 -12.824 1.00 21.11 C ATOM 939 CE2 TYR A 59 -3.886 22.594 -13.873 1.00 3.52 C ATOM 940 CZ TYR A 59 -2.819 21.725 -13.961 1.00 23.23 C ATOM 941 OH TYR A 59 -2.267 21.441 -15.189 1.00 4.32 O ATOM 0 H TYR A 59 -4.625 19.975 -10.377 1.00 63.43 H new ATOM 0 HA TYR A 59 -6.089 21.984 -8.776 1.00 23.32 H new ATOM 0 HB2 TYR A 59 -4.914 23.636 -10.136 1.00 33.22 H new ATOM 0 HB3 TYR A 59 -3.761 22.562 -9.369 1.00 33.22 H new ATOM 0 HD1 TYR A 59 -2.454 20.966 -10.705 1.00 62.23 H new ATOM 0 HD2 TYR A 59 -5.270 23.561 -12.573 1.00 32.41 H new ATOM 0 HE1 TYR A 59 -1.466 20.459 -12.896 1.00 21.11 H new ATOM 0 HE2 TYR A 59 -4.290 23.050 -14.765 1.00 3.52 H new ATOM 0 HH TYR A 59 -2.748 21.934 -15.886 1.00 4.32 H new ATOM 951 N LEU A 60 -7.215 22.948 -11.108 1.00 72.41 N ATOM 952 CA LEU A 60 -8.272 23.148 -12.093 1.00 53.23 C ATOM 953 C LEU A 60 -7.851 22.618 -13.460 1.00 22.32 C ATOM 954 O LEU A 60 -8.688 22.386 -14.332 1.00 63.11 O ATOM 955 CB LEU A 60 -8.625 24.633 -12.197 1.00 10.14 C ATOM 956 CG LEU A 60 -10.101 24.987 -12.009 1.00 43.00 C ATOM 957 CD1 LEU A 60 -10.560 24.634 -10.603 1.00 3.12 C ATOM 958 CD2 LEU A 60 -10.335 26.463 -12.294 1.00 15.31 C ATOM 0 H LEU A 60 -6.843 23.809 -10.707 1.00 72.41 H new ATOM 0 HA LEU A 60 -9.151 22.593 -11.763 1.00 53.23 H new ATOM 0 HB2 LEU A 60 -8.044 25.177 -11.452 1.00 10.14 H new ATOM 0 HB3 LEU A 60 -8.307 24.994 -13.175 1.00 10.14 H new ATOM 0 HG LEU A 60 -10.688 24.403 -12.717 1.00 43.00 H new ATOM 0 HD11 LEU A 60 -11.613 24.893 -10.488 1.00 3.12 H new ATOM 0 HD12 LEU A 60 -10.429 23.565 -10.435 1.00 3.12 H new ATOM 0 HD13 LEU A 60 -9.968 25.191 -9.876 1.00 3.12 H new ATOM 0 HD21 LEU A 60 -11.390 26.697 -12.155 1.00 15.31 H new ATOM 0 HD22 LEU A 60 -9.737 27.065 -11.610 1.00 15.31 H new ATOM 0 HD23 LEU A 60 -10.046 26.686 -13.321 1.00 15.31 H new TER 970 LEU A 60