USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 583 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 46 GLN : amide:sc= 0.598 K(o=1.4,f=-0.44) USER MOD Set 1.2: A 50 GLN : amide:sc= 0.829 K(o=1.4,f=-0.39) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 0.581 K(o=0.58,f=-0.046) USER MOD Single : A 12 GLN : amide:sc= -0.0463 K(o=-0.046,f=0.52) USER MOD Single : A 18 ASN : amide:sc= 0.804 K(o=0.8,f=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 24 CYS SG : rot 25:sc= 1.5 USER MOD Single : A 25 TYR OH : rot 30:sc= 0.292 USER MOD Single : A 36 GLN : amide:sc= -1.45 K(o=-1.5,f=-0.073) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 51 ASN : amide:sc= 0.887 K(o=0.89,f=-0.33) USER MOD Single : A 55 LYS NZ :NH3+ -145:sc= 1.33 (180deg=-0.17) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -1.79! C(o=-1.8!,f=-3.2!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.0492 K(o=0.049,f=-1.8) USER MOD Single : A 67 MET CE :methyl 172:sc= 0 (180deg=-0.0595) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.758 39.094 28.056 1.00 0.00 N ATOM 2 CA GLY A 1 22.148 39.642 26.841 1.00 0.00 C ATOM 3 C GLY A 1 23.086 39.517 25.666 1.00 0.00 C ATOM 4 O GLY A 1 23.807 40.465 25.389 1.00 0.00 O ATOM 0 H1 GLY A 1 22.095 39.191 28.851 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.979 38.088 27.910 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.633 39.614 28.270 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.218 39.116 26.627 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.893 40.690 26.998 1.00 0.00 H new ATOM 10 N ARG A 2 23.105 38.360 24.992 1.00 0.00 N ATOM 11 CA ARG A 2 23.836 38.121 23.731 1.00 0.00 C ATOM 12 C ARG A 2 23.199 36.962 22.950 1.00 0.00 C ATOM 13 O ARG A 2 22.850 35.950 23.558 1.00 0.00 O ATOM 14 CB ARG A 2 25.332 37.841 24.033 1.00 0.00 C ATOM 15 CG ARG A 2 26.280 39.006 23.683 1.00 0.00 C ATOM 16 CD ARG A 2 26.381 39.259 22.176 1.00 0.00 C ATOM 17 NE ARG A 2 27.174 40.468 21.869 1.00 0.00 N ATOM 18 CZ ARG A 2 26.957 41.317 20.880 1.00 0.00 C ATOM 19 NH1 ARG A 2 25.913 41.257 20.110 1.00 0.00 N ATOM 20 NH2 ARG A 2 27.783 42.286 20.620 1.00 0.00 N ATOM 0 H ARG A 2 22.598 37.536 25.315 1.00 0.00 H new ATOM 0 HA ARG A 2 23.773 39.013 23.108 1.00 0.00 H new ATOM 0 HB2 ARG A 2 25.439 37.607 25.092 1.00 0.00 H new ATOM 0 HB3 ARG A 2 25.643 36.956 23.478 1.00 0.00 H new ATOM 0 HG2 ARG A 2 25.930 39.913 24.176 1.00 0.00 H new ATOM 0 HG3 ARG A 2 27.273 38.791 24.078 1.00 0.00 H new ATOM 0 HD2 ARG A 2 26.837 38.394 21.693 1.00 0.00 H new ATOM 0 HD3 ARG A 2 25.380 39.367 21.759 1.00 0.00 H new ATOM 0 HE ARG A 2 27.966 40.666 22.480 1.00 0.00 H new ATOM 0 HH11 ARG A 2 25.213 40.529 20.255 1.00 0.00 H new ATOM 0 HH12 ARG A 2 25.793 41.938 19.360 1.00 0.00 H new ATOM 0 HH21 ARG A 2 28.623 42.405 21.186 1.00 0.00 H new ATOM 0 HH22 ARG A 2 27.591 42.927 19.850 1.00 0.00 H new ATOM 34 N ARG A 3 23.086 37.050 21.617 1.00 0.00 N ATOM 35 CA ARG A 3 22.483 35.995 20.758 1.00 0.00 C ATOM 36 C ARG A 3 23.429 35.387 19.683 1.00 0.00 C ATOM 37 O ARG A 3 23.078 35.353 18.503 1.00 0.00 O ATOM 38 CB ARG A 3 21.160 36.560 20.197 1.00 0.00 C ATOM 39 CG ARG A 3 20.213 35.486 19.629 1.00 0.00 C ATOM 40 CD ARG A 3 18.901 36.125 19.157 1.00 0.00 C ATOM 41 NE ARG A 3 18.127 35.210 18.291 1.00 0.00 N ATOM 42 CZ ARG A 3 18.262 35.053 16.986 1.00 0.00 C ATOM 43 NH1 ARG A 3 19.153 35.700 16.290 1.00 0.00 N ATOM 44 NH2 ARG A 3 17.498 34.227 16.342 1.00 0.00 N ATOM 0 H ARG A 3 23.411 37.860 21.090 1.00 0.00 H new ATOM 0 HA ARG A 3 22.282 35.116 21.371 1.00 0.00 H new ATOM 0 HB2 ARG A 3 20.644 37.103 20.989 1.00 0.00 H new ATOM 0 HB3 ARG A 3 21.388 37.281 19.412 1.00 0.00 H new ATOM 0 HG2 ARG A 3 20.694 34.971 18.797 1.00 0.00 H new ATOM 0 HG3 ARG A 3 20.005 34.735 20.391 1.00 0.00 H new ATOM 0 HD2 ARG A 3 18.299 36.402 20.023 1.00 0.00 H new ATOM 0 HD3 ARG A 3 19.119 37.044 18.613 1.00 0.00 H new ATOM 0 HE ARG A 3 17.415 34.641 18.749 1.00 0.00 H new ATOM 0 HH11 ARG A 3 19.781 36.358 16.751 1.00 0.00 H new ATOM 0 HH12 ARG A 3 19.223 35.548 15.284 1.00 0.00 H new ATOM 0 HH21 ARG A 3 16.787 33.694 16.843 1.00 0.00 H new ATOM 0 HH22 ARG A 3 17.608 34.111 15.335 1.00 0.00 H new ATOM 58 N PRO A 4 24.631 34.883 20.042 1.00 0.00 N ATOM 59 CA PRO A 4 25.473 34.092 19.138 1.00 0.00 C ATOM 60 C PRO A 4 24.963 32.644 18.967 1.00 0.00 C ATOM 61 O PRO A 4 23.951 32.235 19.541 1.00 0.00 O ATOM 62 CB PRO A 4 26.873 34.147 19.766 1.00 0.00 C ATOM 63 CG PRO A 4 26.574 34.177 21.261 1.00 0.00 C ATOM 64 CD PRO A 4 25.302 35.021 21.329 1.00 0.00 C ATOM 0 HA PRO A 4 25.465 34.493 18.125 1.00 0.00 H new ATOM 0 HB2 PRO A 4 27.473 33.280 19.491 1.00 0.00 H new ATOM 0 HB3 PRO A 4 27.425 35.031 19.446 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.418 33.176 21.664 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.389 34.626 21.829 1.00 0.00 H new ATOM 0 HD2 PRO A 4 24.657 34.681 22.139 1.00 0.00 H new ATOM 0 HD3 PRO A 4 25.542 36.065 21.529 1.00 0.00 H new ATOM 72 N ARG A 5 25.702 31.840 18.191 1.00 0.00 N ATOM 73 CA ARG A 5 25.491 30.400 17.957 1.00 0.00 C ATOM 74 C ARG A 5 26.713 29.627 18.457 1.00 0.00 C ATOM 75 O ARG A 5 27.831 29.935 18.055 1.00 0.00 O ATOM 76 CB ARG A 5 25.198 30.203 16.456 1.00 0.00 C ATOM 77 CG ARG A 5 24.953 28.756 15.988 1.00 0.00 C ATOM 78 CD ARG A 5 26.242 27.987 15.663 1.00 0.00 C ATOM 79 NE ARG A 5 25.942 26.741 14.934 1.00 0.00 N ATOM 80 CZ ARG A 5 26.257 26.420 13.692 1.00 0.00 C ATOM 81 NH1 ARG A 5 26.953 27.195 12.911 1.00 0.00 N ATOM 82 NH2 ARG A 5 25.873 25.285 13.194 1.00 0.00 N ATOM 0 H ARG A 5 26.510 32.195 17.679 1.00 0.00 H new ATOM 0 HA ARG A 5 24.637 30.010 18.511 1.00 0.00 H new ATOM 0 HB2 ARG A 5 24.322 30.798 16.198 1.00 0.00 H new ATOM 0 HB3 ARG A 5 26.036 30.608 15.889 1.00 0.00 H new ATOM 0 HG2 ARG A 5 24.406 28.220 16.764 1.00 0.00 H new ATOM 0 HG3 ARG A 5 24.317 28.772 15.103 1.00 0.00 H new ATOM 0 HD2 ARG A 5 26.903 28.614 15.064 1.00 0.00 H new ATOM 0 HD3 ARG A 5 26.774 27.754 16.586 1.00 0.00 H new ATOM 0 HE ARG A 5 25.424 26.035 15.457 1.00 0.00 H new ATOM 0 HH11 ARG A 5 27.283 28.098 13.251 1.00 0.00 H new ATOM 0 HH12 ARG A 5 27.169 26.899 11.959 1.00 0.00 H new ATOM 0 HH21 ARG A 5 25.326 24.638 13.762 1.00 0.00 H new ATOM 0 HH22 ARG A 5 26.118 25.040 12.235 1.00 0.00 H new ATOM 96 N THR A 6 26.522 28.642 19.339 1.00 0.00 N ATOM 97 CA THR A 6 27.625 27.965 20.057 1.00 0.00 C ATOM 98 C THR A 6 27.439 26.443 20.093 1.00 0.00 C ATOM 99 O THR A 6 26.331 25.949 20.305 1.00 0.00 O ATOM 100 CB THR A 6 27.745 28.526 21.488 1.00 0.00 C ATOM 101 OG1 THR A 6 27.889 29.927 21.431 1.00 0.00 O ATOM 102 CG2 THR A 6 28.952 28.001 22.264 1.00 0.00 C ATOM 0 H THR A 6 25.598 28.285 19.582 1.00 0.00 H new ATOM 0 HA THR A 6 28.547 28.165 19.511 1.00 0.00 H new ATOM 0 HB THR A 6 26.838 28.207 22.001 1.00 0.00 H new ATOM 0 HG1 THR A 6 27.964 30.285 22.340 1.00 0.00 H new ATOM 0 HG21 THR A 6 28.964 28.443 23.260 1.00 0.00 H new ATOM 0 HG22 THR A 6 28.886 26.916 22.349 1.00 0.00 H new ATOM 0 HG23 THR A 6 29.868 28.268 21.737 1.00 0.00 H new ATOM 110 N ALA A 7 28.538 25.710 19.890 1.00 0.00 N ATOM 111 CA ALA A 7 28.652 24.252 19.958 1.00 0.00 C ATOM 112 C ALA A 7 30.075 23.831 20.400 1.00 0.00 C ATOM 113 O ALA A 7 30.959 24.678 20.553 1.00 0.00 O ATOM 114 CB ALA A 7 28.283 23.672 18.584 1.00 0.00 C ATOM 0 H ALA A 7 29.429 26.149 19.659 1.00 0.00 H new ATOM 0 HA ALA A 7 27.966 23.856 20.707 1.00 0.00 H new ATOM 0 HB1 ALA A 7 28.362 22.585 18.615 1.00 0.00 H new ATOM 0 HB2 ALA A 7 27.261 23.955 18.332 1.00 0.00 H new ATOM 0 HB3 ALA A 7 28.964 24.064 17.829 1.00 0.00 H new ATOM 120 N PHE A 8 30.287 22.529 20.605 1.00 0.00 N ATOM 121 CA PHE A 8 31.441 21.909 21.250 1.00 0.00 C ATOM 122 C PHE A 8 31.999 20.739 20.408 1.00 0.00 C ATOM 123 O PHE A 8 31.697 20.617 19.218 1.00 0.00 O ATOM 124 CB PHE A 8 30.993 21.449 22.651 1.00 0.00 C ATOM 125 CG PHE A 8 30.075 22.390 23.423 1.00 0.00 C ATOM 126 CD1 PHE A 8 30.472 23.711 23.710 1.00 0.00 C ATOM 127 CD2 PHE A 8 28.804 21.944 23.819 1.00 0.00 C ATOM 128 CE1 PHE A 8 29.589 24.585 24.370 1.00 0.00 C ATOM 129 CE2 PHE A 8 27.923 22.817 24.467 1.00 0.00 C ATOM 130 CZ PHE A 8 28.313 24.134 24.747 1.00 0.00 C ATOM 0 H PHE A 8 29.606 21.833 20.302 1.00 0.00 H new ATOM 0 HA PHE A 8 32.258 22.625 21.338 1.00 0.00 H new ATOM 0 HB2 PHE A 8 30.486 20.489 22.548 1.00 0.00 H new ATOM 0 HB3 PHE A 8 31.885 21.275 23.253 1.00 0.00 H new ATOM 0 HD1 PHE A 8 31.455 24.053 23.423 1.00 0.00 H new ATOM 0 HD2 PHE A 8 28.506 20.925 23.623 1.00 0.00 H new ATOM 0 HE1 PHE A 8 29.891 25.599 24.586 1.00 0.00 H new ATOM 0 HE2 PHE A 8 26.939 22.475 24.752 1.00 0.00 H new ATOM 0 HZ PHE A 8 27.632 24.802 25.253 1.00 0.00 H new ATOM 140 N THR A 9 32.817 19.884 21.027 1.00 0.00 N ATOM 141 CA THR A 9 33.023 18.485 20.593 1.00 0.00 C ATOM 142 C THR A 9 31.799 17.613 20.926 1.00 0.00 C ATOM 143 O THR A 9 31.085 17.883 21.895 1.00 0.00 O ATOM 144 CB THR A 9 34.303 17.889 21.208 1.00 0.00 C ATOM 145 OG1 THR A 9 34.469 16.579 20.727 1.00 0.00 O ATOM 146 CG2 THR A 9 34.308 17.823 22.737 1.00 0.00 C ATOM 0 H THR A 9 33.363 20.138 21.851 1.00 0.00 H new ATOM 0 HA THR A 9 33.146 18.494 19.510 1.00 0.00 H new ATOM 0 HB THR A 9 35.111 18.559 20.915 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.282 16.190 21.111 1.00 0.00 H new ATOM 0 HG21 THR A 9 35.248 17.390 23.079 1.00 0.00 H new ATOM 0 HG22 THR A 9 34.202 18.828 23.145 1.00 0.00 H new ATOM 0 HG23 THR A 9 33.478 17.204 23.077 1.00 0.00 H new ATOM 154 N GLN A 10 31.532 16.561 20.148 1.00 0.00 N ATOM 155 CA GLN A 10 30.265 15.820 20.208 1.00 0.00 C ATOM 156 C GLN A 10 30.035 15.017 21.495 1.00 0.00 C ATOM 157 O GLN A 10 28.897 14.977 21.953 1.00 0.00 O ATOM 158 CB GLN A 10 30.141 14.951 18.949 1.00 0.00 C ATOM 159 CG GLN A 10 28.735 14.354 18.772 1.00 0.00 C ATOM 160 CD GLN A 10 28.363 14.291 17.296 1.00 0.00 C ATOM 161 OE1 GLN A 10 27.881 15.264 16.733 1.00 0.00 O ATOM 162 NE2 GLN A 10 28.606 13.194 16.615 1.00 0.00 N ATOM 0 H GLN A 10 32.188 16.197 19.457 1.00 0.00 H new ATOM 0 HA GLN A 10 29.466 16.560 20.236 1.00 0.00 H new ATOM 0 HB2 GLN A 10 30.389 15.551 18.073 1.00 0.00 H new ATOM 0 HB3 GLN A 10 30.870 14.142 18.998 1.00 0.00 H new ATOM 0 HG2 GLN A 10 28.701 13.354 19.204 1.00 0.00 H new ATOM 0 HG3 GLN A 10 28.006 14.959 19.311 1.00 0.00 H new ATOM 0 HE21 GLN A 10 29.008 12.382 17.083 1.00 0.00 H new ATOM 0 HE22 GLN A 10 28.393 13.155 15.618 1.00 0.00 H new ATOM 171 N ASN A 11 31.063 14.459 22.141 1.00 0.00 N ATOM 172 CA ASN A 11 30.860 13.825 23.452 1.00 0.00 C ATOM 173 C ASN A 11 30.603 14.844 24.589 1.00 0.00 C ATOM 174 O ASN A 11 30.096 14.462 25.637 1.00 0.00 O ATOM 175 CB ASN A 11 32.015 12.860 23.761 1.00 0.00 C ATOM 176 CG ASN A 11 31.751 12.039 25.017 1.00 0.00 C ATOM 177 OD1 ASN A 11 32.445 12.159 26.016 1.00 0.00 O ATOM 178 ND2 ASN A 11 30.750 11.189 25.030 1.00 0.00 N ATOM 0 H ASN A 11 32.021 14.431 21.792 1.00 0.00 H new ATOM 0 HA ASN A 11 29.942 13.240 23.396 1.00 0.00 H new ATOM 0 HB2 ASN A 11 32.164 12.190 22.914 1.00 0.00 H new ATOM 0 HB3 ASN A 11 32.938 13.427 23.885 1.00 0.00 H new ATOM 0 HD21 ASN A 11 30.559 10.638 25.867 1.00 0.00 H new ATOM 0 HD22 ASN A 11 30.163 11.079 24.203 1.00 0.00 H new ATOM 185 N GLN A 12 30.877 16.142 24.389 1.00 0.00 N ATOM 186 CA GLN A 12 30.333 17.204 25.247 1.00 0.00 C ATOM 187 C GLN A 12 28.876 17.499 24.875 1.00 0.00 C ATOM 188 O GLN A 12 28.026 17.472 25.758 1.00 0.00 O ATOM 189 CB GLN A 12 31.248 18.447 25.214 1.00 0.00 C ATOM 190 CG GLN A 12 30.741 19.635 26.055 1.00 0.00 C ATOM 191 CD GLN A 12 31.877 20.586 26.429 1.00 0.00 C ATOM 192 OE1 GLN A 12 32.088 21.621 25.822 1.00 0.00 O ATOM 193 NE2 GLN A 12 32.661 20.270 27.435 1.00 0.00 N ATOM 0 H GLN A 12 31.475 16.482 23.636 1.00 0.00 H new ATOM 0 HA GLN A 12 30.318 16.868 26.284 1.00 0.00 H new ATOM 0 HB2 GLN A 12 32.239 18.163 25.569 1.00 0.00 H new ATOM 0 HB3 GLN A 12 31.361 18.772 24.180 1.00 0.00 H new ATOM 0 HG2 GLN A 12 29.980 20.179 25.495 1.00 0.00 H new ATOM 0 HG3 GLN A 12 30.265 19.262 26.962 1.00 0.00 H new ATOM 0 HE21 GLN A 12 32.500 19.408 27.955 1.00 0.00 H new ATOM 0 HE22 GLN A 12 33.430 20.887 27.695 1.00 0.00 H new ATOM 202 N ILE A 13 28.568 17.716 23.586 1.00 0.00 N ATOM 203 CA ILE A 13 27.192 17.915 23.088 1.00 0.00 C ATOM 204 C ILE A 13 26.232 16.853 23.617 1.00 0.00 C ATOM 205 O ILE A 13 25.174 17.218 24.121 1.00 0.00 O ATOM 206 CB ILE A 13 27.138 17.934 21.537 1.00 0.00 C ATOM 207 CG1 ILE A 13 27.936 19.097 20.920 1.00 0.00 C ATOM 208 CG2 ILE A 13 25.698 17.947 20.987 1.00 0.00 C ATOM 209 CD1 ILE A 13 27.241 20.446 21.088 1.00 0.00 C ATOM 0 H ILE A 13 29.273 17.759 22.850 1.00 0.00 H new ATOM 0 HA ILE A 13 26.874 18.888 23.463 1.00 0.00 H new ATOM 0 HB ILE A 13 27.612 16.999 21.236 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.922 19.141 21.383 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.091 18.903 19.859 1.00 0.00 H new ATOM 0 HG21 ILE A 13 25.725 17.960 19.897 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.171 17.055 21.326 1.00 0.00 H new ATOM 0 HG23 ILE A 13 25.179 18.835 21.348 1.00 0.00 H new ATOM 0 HD11 ILE A 13 27.850 21.228 20.634 1.00 0.00 H new ATOM 0 HD12 ILE A 13 26.266 20.416 20.601 1.00 0.00 H new ATOM 0 HD13 ILE A 13 27.110 20.658 22.149 1.00 0.00 H new ATOM 221 N GLU A 14 26.575 15.567 23.508 1.00 0.00 N ATOM 222 CA GLU A 14 25.665 14.500 23.932 1.00 0.00 C ATOM 223 C GLU A 14 25.280 14.531 25.421 1.00 0.00 C ATOM 224 O GLU A 14 24.191 14.068 25.754 1.00 0.00 O ATOM 225 CB GLU A 14 26.141 13.118 23.463 1.00 0.00 C ATOM 226 CG GLU A 14 27.084 12.375 24.417 1.00 0.00 C ATOM 227 CD GLU A 14 27.290 10.941 23.928 1.00 0.00 C ATOM 228 OE1 GLU A 14 26.340 10.125 24.004 1.00 0.00 O ATOM 229 OE2 GLU A 14 28.406 10.604 23.465 1.00 0.00 O ATOM 0 H GLU A 14 27.466 15.242 23.134 1.00 0.00 H new ATOM 0 HA GLU A 14 24.727 14.709 23.418 1.00 0.00 H new ATOM 0 HB2 GLU A 14 25.265 12.493 23.289 1.00 0.00 H new ATOM 0 HB3 GLU A 14 26.645 13.235 22.503 1.00 0.00 H new ATOM 0 HG2 GLU A 14 28.042 12.892 24.472 1.00 0.00 H new ATOM 0 HG3 GLU A 14 26.667 12.369 25.424 1.00 0.00 H new ATOM 236 N VAL A 15 26.098 15.106 26.315 1.00 0.00 N ATOM 237 CA VAL A 15 25.699 15.296 27.724 1.00 0.00 C ATOM 238 C VAL A 15 24.591 16.349 27.835 1.00 0.00 C ATOM 239 O VAL A 15 23.608 16.143 28.554 1.00 0.00 O ATOM 240 CB VAL A 15 26.908 15.675 28.608 1.00 0.00 C ATOM 241 CG1 VAL A 15 26.526 15.813 30.088 1.00 0.00 C ATOM 242 CG2 VAL A 15 28.011 14.612 28.535 1.00 0.00 C ATOM 0 H VAL A 15 27.034 15.446 26.093 1.00 0.00 H new ATOM 0 HA VAL A 15 25.309 14.346 28.090 1.00 0.00 H new ATOM 0 HB VAL A 15 27.260 16.631 28.220 1.00 0.00 H new ATOM 0 HG11 VAL A 15 27.409 16.080 30.668 1.00 0.00 H new ATOM 0 HG12 VAL A 15 25.771 16.591 30.198 1.00 0.00 H new ATOM 0 HG13 VAL A 15 26.127 14.866 30.451 1.00 0.00 H new ATOM 0 HG21 VAL A 15 28.846 14.910 29.169 1.00 0.00 H new ATOM 0 HG22 VAL A 15 27.618 13.655 28.879 1.00 0.00 H new ATOM 0 HG23 VAL A 15 28.354 14.514 27.505 1.00 0.00 H new ATOM 252 N LEU A 16 24.722 17.464 27.104 1.00 0.00 N ATOM 253 CA LEU A 16 23.684 18.495 27.028 1.00 0.00 C ATOM 254 C LEU A 16 22.413 17.965 26.333 1.00 0.00 C ATOM 255 O LEU A 16 21.329 18.126 26.885 1.00 0.00 O ATOM 256 CB LEU A 16 24.198 19.777 26.349 1.00 0.00 C ATOM 257 CG LEU A 16 25.316 20.545 27.072 1.00 0.00 C ATOM 258 CD1 LEU A 16 26.703 20.150 26.583 1.00 0.00 C ATOM 259 CD2 LEU A 16 25.144 22.040 26.839 1.00 0.00 C ATOM 0 H LEU A 16 25.552 17.675 26.549 1.00 0.00 H new ATOM 0 HA LEU A 16 23.418 18.756 28.052 1.00 0.00 H new ATOM 0 HB2 LEU A 16 24.556 19.514 25.354 1.00 0.00 H new ATOM 0 HB3 LEU A 16 23.353 20.453 26.216 1.00 0.00 H new ATOM 0 HG LEU A 16 25.237 20.296 28.130 1.00 0.00 H new ATOM 0 HD11 LEU A 16 27.456 20.721 27.125 1.00 0.00 H new ATOM 0 HD12 LEU A 16 26.860 19.085 26.756 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.786 20.360 25.517 1.00 0.00 H new ATOM 0 HD21 LEU A 16 25.938 22.582 27.353 1.00 0.00 H new ATOM 0 HD22 LEU A 16 25.194 22.250 25.771 1.00 0.00 H new ATOM 0 HD23 LEU A 16 24.177 22.360 27.227 1.00 0.00 H new ATOM 271 N GLU A 17 22.520 17.275 25.189 1.00 0.00 N ATOM 272 CA GLU A 17 21.397 16.567 24.539 1.00 0.00 C ATOM 273 C GLU A 17 20.659 15.597 25.477 1.00 0.00 C ATOM 274 O GLU A 17 19.428 15.610 25.541 1.00 0.00 O ATOM 275 CB GLU A 17 21.900 15.778 23.324 1.00 0.00 C ATOM 276 CG GLU A 17 22.099 16.616 22.059 1.00 0.00 C ATOM 277 CD GLU A 17 20.750 17.015 21.449 1.00 0.00 C ATOM 278 OE1 GLU A 17 20.088 16.109 20.880 1.00 0.00 O ATOM 279 OE2 GLU A 17 20.370 18.199 21.570 1.00 0.00 O ATOM 0 H GLU A 17 23.399 17.189 24.678 1.00 0.00 H new ATOM 0 HA GLU A 17 20.691 17.341 24.240 1.00 0.00 H new ATOM 0 HB2 GLU A 17 22.846 15.303 23.582 1.00 0.00 H new ATOM 0 HB3 GLU A 17 21.191 14.979 23.107 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.674 17.511 22.298 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.679 16.050 21.330 1.00 0.00 H new ATOM 286 N ASN A 18 21.382 14.759 26.226 1.00 0.00 N ATOM 287 CA ASN A 18 20.750 13.847 27.179 1.00 0.00 C ATOM 288 C ASN A 18 20.027 14.565 28.336 1.00 0.00 C ATOM 289 O ASN A 18 19.032 14.040 28.836 1.00 0.00 O ATOM 290 CB ASN A 18 21.785 12.831 27.676 1.00 0.00 C ATOM 291 CG ASN A 18 21.898 11.658 26.723 1.00 0.00 C ATOM 292 OD1 ASN A 18 21.002 10.828 26.635 1.00 0.00 O ATOM 293 ND2 ASN A 18 22.971 11.553 25.983 1.00 0.00 N ATOM 0 H ASN A 18 22.399 14.695 26.190 1.00 0.00 H new ATOM 0 HA ASN A 18 19.956 13.317 26.653 1.00 0.00 H new ATOM 0 HB2 ASN A 18 22.756 13.316 27.778 1.00 0.00 H new ATOM 0 HB3 ASN A 18 21.502 12.473 28.666 1.00 0.00 H new ATOM 0 HD21 ASN A 18 23.065 10.777 25.328 1.00 0.00 H new ATOM 0 HD22 ASN A 18 23.714 12.247 26.061 1.00 0.00 H new ATOM 300 N VAL A 19 20.447 15.780 28.718 1.00 0.00 N ATOM 301 CA VAL A 19 19.620 16.665 29.562 1.00 0.00 C ATOM 302 C VAL A 19 18.430 17.239 28.779 1.00 0.00 C ATOM 303 O VAL A 19 17.314 17.229 29.290 1.00 0.00 O ATOM 304 CB VAL A 19 20.461 17.780 30.213 1.00 0.00 C ATOM 305 CG1 VAL A 19 19.605 18.816 30.952 1.00 0.00 C ATOM 306 CG2 VAL A 19 21.426 17.175 31.242 1.00 0.00 C ATOM 0 H VAL A 19 21.351 16.174 28.459 1.00 0.00 H new ATOM 0 HA VAL A 19 19.214 16.055 30.369 1.00 0.00 H new ATOM 0 HB VAL A 19 20.991 18.274 29.399 1.00 0.00 H new ATOM 0 HG11 VAL A 19 20.252 19.576 31.390 1.00 0.00 H new ATOM 0 HG12 VAL A 19 18.916 19.286 30.250 1.00 0.00 H new ATOM 0 HG13 VAL A 19 19.038 18.323 31.742 1.00 0.00 H new ATOM 0 HG21 VAL A 19 22.017 17.970 31.698 1.00 0.00 H new ATOM 0 HG22 VAL A 19 20.857 16.658 32.014 1.00 0.00 H new ATOM 0 HG23 VAL A 19 22.090 16.468 30.746 1.00 0.00 H new ATOM 316 N PHE A 20 18.621 17.709 27.544 1.00 0.00 N ATOM 317 CA PHE A 20 17.580 18.296 26.687 1.00 0.00 C ATOM 318 C PHE A 20 16.383 17.359 26.453 1.00 0.00 C ATOM 319 O PHE A 20 15.242 17.823 26.504 1.00 0.00 O ATOM 320 CB PHE A 20 18.226 18.779 25.374 1.00 0.00 C ATOM 321 CG PHE A 20 17.351 19.573 24.414 1.00 0.00 C ATOM 322 CD1 PHE A 20 16.614 20.689 24.854 1.00 0.00 C ATOM 323 CD2 PHE A 20 17.322 19.226 23.048 1.00 0.00 C ATOM 324 CE1 PHE A 20 15.838 21.431 23.945 1.00 0.00 C ATOM 325 CE2 PHE A 20 16.536 19.959 22.142 1.00 0.00 C ATOM 326 CZ PHE A 20 15.784 21.059 22.591 1.00 0.00 C ATOM 0 H PHE A 20 19.536 17.692 27.094 1.00 0.00 H new ATOM 0 HA PHE A 20 17.150 19.152 27.206 1.00 0.00 H new ATOM 0 HB2 PHE A 20 19.089 19.393 25.629 1.00 0.00 H new ATOM 0 HB3 PHE A 20 18.603 17.905 24.842 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.645 20.977 25.894 1.00 0.00 H new ATOM 0 HD2 PHE A 20 17.908 18.391 22.695 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.281 22.290 24.289 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.510 19.677 21.100 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.168 21.615 21.899 1.00 0.00 H new ATOM 336 N ARG A 21 16.603 16.040 26.314 1.00 0.00 N ATOM 337 CA ARG A 21 15.516 15.036 26.253 1.00 0.00 C ATOM 338 C ARG A 21 14.751 14.804 27.569 1.00 0.00 C ATOM 339 O ARG A 21 13.827 13.994 27.594 1.00 0.00 O ATOM 340 CB ARG A 21 15.988 13.720 25.602 1.00 0.00 C ATOM 341 CG ARG A 21 16.788 12.734 26.473 1.00 0.00 C ATOM 342 CD ARG A 21 16.723 11.346 25.815 1.00 0.00 C ATOM 343 NE ARG A 21 17.554 10.340 26.497 1.00 0.00 N ATOM 344 CZ ARG A 21 17.576 9.040 26.263 1.00 0.00 C ATOM 345 NH1 ARG A 21 16.722 8.447 25.482 1.00 0.00 N ATOM 346 NH2 ARG A 21 18.469 8.283 26.821 1.00 0.00 N ATOM 0 H ARG A 21 17.537 15.636 26.240 1.00 0.00 H new ATOM 0 HA ARG A 21 14.768 15.485 25.600 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.108 13.198 25.227 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.600 13.975 24.737 1.00 0.00 H new ATOM 0 HG2 ARG A 21 17.823 13.062 26.565 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.375 12.696 27.481 1.00 0.00 H new ATOM 0 HD2 ARG A 21 15.688 11.005 25.803 1.00 0.00 H new ATOM 0 HD3 ARG A 21 17.043 11.428 24.776 1.00 0.00 H new ATOM 0 HE ARG A 21 18.178 10.683 27.227 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.993 8.989 25.018 1.00 0.00 H new ATOM 0 HH12 ARG A 21 16.781 7.440 25.333 1.00 0.00 H new ATOM 0 HH21 ARG A 21 19.163 8.690 27.447 1.00 0.00 H new ATOM 0 HH22 ARG A 21 18.477 7.280 26.633 1.00 0.00 H new ATOM 360 N VAL A 22 15.106 15.500 28.648 1.00 0.00 N ATOM 361 CA VAL A 22 14.400 15.513 29.946 1.00 0.00 C ATOM 362 C VAL A 22 13.905 16.924 30.298 1.00 0.00 C ATOM 363 O VAL A 22 12.808 17.078 30.831 1.00 0.00 O ATOM 364 CB VAL A 22 15.307 14.948 31.065 1.00 0.00 C ATOM 365 CG1 VAL A 22 14.569 14.847 32.408 1.00 0.00 C ATOM 366 CG2 VAL A 22 15.826 13.543 30.725 1.00 0.00 C ATOM 0 H VAL A 22 15.930 16.101 28.650 1.00 0.00 H new ATOM 0 HA VAL A 22 13.524 14.870 29.859 1.00 0.00 H new ATOM 0 HB VAL A 22 16.138 15.649 31.145 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.243 14.446 33.164 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.230 15.837 32.712 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.709 14.186 32.302 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.459 13.183 31.536 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.982 12.865 30.594 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.406 13.583 29.803 1.00 0.00 H new ATOM 376 N ASN A 23 14.687 17.954 29.973 1.00 0.00 N ATOM 377 CA ASN A 23 14.458 19.365 30.266 1.00 0.00 C ATOM 378 C ASN A 23 14.644 20.209 28.991 1.00 0.00 C ATOM 379 O ASN A 23 15.730 20.706 28.700 1.00 0.00 O ATOM 380 CB ASN A 23 15.377 19.790 31.433 1.00 0.00 C ATOM 381 CG ASN A 23 14.600 19.955 32.723 1.00 0.00 C ATOM 382 OD1 ASN A 23 13.875 20.922 32.893 1.00 0.00 O ATOM 383 ND2 ASN A 23 14.740 19.058 33.667 1.00 0.00 N ATOM 0 H ASN A 23 15.558 17.812 29.462 1.00 0.00 H new ATOM 0 HA ASN A 23 13.430 19.535 30.588 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.159 19.043 31.572 1.00 0.00 H new ATOM 0 HB3 ASN A 23 15.873 20.728 31.184 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.242 19.165 34.550 1.00 0.00 H new ATOM 0 HD22 ASN A 23 15.347 18.252 33.519 1.00 0.00 H new ATOM 390 N CYS A 24 13.565 20.378 28.220 1.00 0.00 N ATOM 391 CA CYS A 24 13.555 21.176 26.987 1.00 0.00 C ATOM 392 C CYS A 24 13.794 22.684 27.247 1.00 0.00 C ATOM 393 O CYS A 24 14.476 23.359 26.477 1.00 0.00 O ATOM 394 CB CYS A 24 12.228 20.895 26.271 1.00 0.00 C ATOM 395 SG CYS A 24 12.265 21.498 24.565 1.00 0.00 S ATOM 0 H CYS A 24 12.661 19.959 28.437 1.00 0.00 H new ATOM 0 HA CYS A 24 14.388 20.884 26.348 1.00 0.00 H new ATOM 0 HB2 CYS A 24 12.028 19.823 26.277 1.00 0.00 H new ATOM 0 HB3 CYS A 24 11.412 21.374 26.811 1.00 0.00 H new ATOM 0 HG CYS A 24 13.496 21.549 24.149 1.00 0.00 H new ATOM 401 N TYR A 25 13.318 23.186 28.393 1.00 0.00 N ATOM 402 CA TYR A 25 13.685 24.479 28.985 1.00 0.00 C ATOM 403 C TYR A 25 14.234 24.241 30.410 1.00 0.00 C ATOM 404 O TYR A 25 13.447 24.215 31.360 1.00 0.00 O ATOM 405 CB TYR A 25 12.474 25.433 29.019 1.00 0.00 C ATOM 406 CG TYR A 25 11.942 25.950 27.691 1.00 0.00 C ATOM 407 CD1 TYR A 25 12.595 27.011 27.031 1.00 0.00 C ATOM 408 CD2 TYR A 25 10.723 25.459 27.185 1.00 0.00 C ATOM 409 CE1 TYR A 25 12.018 27.600 25.885 1.00 0.00 C ATOM 410 CE2 TYR A 25 10.148 26.039 26.036 1.00 0.00 C ATOM 411 CZ TYR A 25 10.782 27.124 25.395 1.00 0.00 C ATOM 412 OH TYR A 25 10.203 27.687 24.298 1.00 0.00 O ATOM 0 H TYR A 25 12.636 22.680 28.958 1.00 0.00 H new ATOM 0 HA TYR A 25 14.454 24.949 28.373 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.659 24.921 29.530 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.743 26.294 29.630 1.00 0.00 H new ATOM 0 HD1 TYR A 25 13.541 27.375 27.404 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.227 24.636 27.678 1.00 0.00 H new ATOM 0 HE1 TYR A 25 12.521 28.414 25.384 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.219 25.651 25.645 1.00 0.00 H new ATOM 0 HH TYR A 25 10.899 28.035 23.703 1.00 0.00 H new ATOM 422 N PRO A 26 15.544 23.989 30.595 1.00 0.00 N ATOM 423 CA PRO A 26 16.122 23.730 31.918 1.00 0.00 C ATOM 424 C PRO A 26 15.984 24.892 32.913 1.00 0.00 C ATOM 425 O PRO A 26 15.833 26.054 32.521 1.00 0.00 O ATOM 426 CB PRO A 26 17.608 23.454 31.674 1.00 0.00 C ATOM 427 CG PRO A 26 17.706 23.087 30.203 1.00 0.00 C ATOM 428 CD PRO A 26 16.562 23.869 29.561 1.00 0.00 C ATOM 0 HA PRO A 26 15.585 22.899 32.375 1.00 0.00 H new ATOM 0 HB2 PRO A 26 18.214 24.330 31.903 1.00 0.00 H new ATOM 0 HB3 PRO A 26 17.968 22.643 32.307 1.00 0.00 H new ATOM 0 HG2 PRO A 26 18.671 23.370 29.783 1.00 0.00 H new ATOM 0 HG3 PRO A 26 17.594 22.014 30.049 1.00 0.00 H new ATOM 0 HD2 PRO A 26 16.897 24.850 29.225 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.173 23.348 28.686 1.00 0.00 H new ATOM 436 N GLY A 27 16.152 24.583 34.201 1.00 0.00 N ATOM 437 CA GLY A 27 16.419 25.567 35.251 1.00 0.00 C ATOM 438 C GLY A 27 17.901 25.965 35.317 1.00 0.00 C ATOM 439 O GLY A 27 18.773 25.259 34.801 1.00 0.00 O ATOM 0 H GLY A 27 16.105 23.625 34.549 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.814 26.456 35.074 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.112 25.159 36.214 1.00 0.00 H new ATOM 443 N ILE A 28 18.195 27.075 36.000 1.00 0.00 N ATOM 444 CA ILE A 28 19.544 27.650 36.125 1.00 0.00 C ATOM 445 C ILE A 28 20.515 26.645 36.738 1.00 0.00 C ATOM 446 O ILE A 28 21.645 26.550 36.306 1.00 0.00 O ATOM 447 CB ILE A 28 19.530 28.930 36.984 1.00 0.00 C ATOM 448 CG1 ILE A 28 18.400 29.927 36.628 1.00 0.00 C ATOM 449 CG2 ILE A 28 20.888 29.655 36.955 1.00 0.00 C ATOM 450 CD1 ILE A 28 18.384 30.406 35.169 1.00 0.00 C ATOM 0 H ILE A 28 17.485 27.615 36.495 1.00 0.00 H new ATOM 0 HA ILE A 28 19.877 27.902 35.118 1.00 0.00 H new ATOM 0 HB ILE A 28 19.328 28.574 37.994 1.00 0.00 H new ATOM 0 HG12 ILE A 28 17.441 29.459 36.850 1.00 0.00 H new ATOM 0 HG13 ILE A 28 18.488 30.797 37.278 1.00 0.00 H new ATOM 0 HG21 ILE A 28 20.835 30.551 37.573 1.00 0.00 H new ATOM 0 HG22 ILE A 28 21.662 28.993 37.342 1.00 0.00 H new ATOM 0 HG23 ILE A 28 21.129 29.935 35.930 1.00 0.00 H new ATOM 0 HD11 ILE A 28 17.556 31.100 35.023 1.00 0.00 H new ATOM 0 HD12 ILE A 28 19.324 30.909 34.941 1.00 0.00 H new ATOM 0 HD13 ILE A 28 18.261 29.549 34.506 1.00 0.00 H new ATOM 462 N ASP A 29 20.071 25.872 37.722 1.00 0.00 N ATOM 463 CA ASP A 29 20.856 24.895 38.484 1.00 0.00 C ATOM 464 C ASP A 29 21.225 23.654 37.664 1.00 0.00 C ATOM 465 O ASP A 29 22.276 23.061 37.881 1.00 0.00 O ATOM 466 CB ASP A 29 20.023 24.483 39.711 1.00 0.00 C ATOM 467 CG ASP A 29 19.320 25.680 40.354 1.00 0.00 C ATOM 468 OD1 ASP A 29 18.215 26.050 39.869 1.00 0.00 O ATOM 469 OD2 ASP A 29 19.914 26.305 41.261 1.00 0.00 O ATOM 0 H ASP A 29 19.099 25.909 38.031 1.00 0.00 H new ATOM 0 HA ASP A 29 21.799 25.359 38.774 1.00 0.00 H new ATOM 0 HB2 ASP A 29 19.280 23.743 39.413 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.671 24.006 40.446 1.00 0.00 H new ATOM 474 N ILE A 30 20.392 23.281 36.687 1.00 0.00 N ATOM 475 CA ILE A 30 20.710 22.243 35.698 1.00 0.00 C ATOM 476 C ILE A 30 21.804 22.760 34.761 1.00 0.00 C ATOM 477 O ILE A 30 22.763 22.050 34.457 1.00 0.00 O ATOM 478 CB ILE A 30 19.453 21.845 34.893 1.00 0.00 C ATOM 479 CG1 ILE A 30 18.318 21.374 35.830 1.00 0.00 C ATOM 480 CG2 ILE A 30 19.795 20.755 33.860 1.00 0.00 C ATOM 481 CD1 ILE A 30 17.028 21.026 35.085 1.00 0.00 C ATOM 0 H ILE A 30 19.469 23.695 36.558 1.00 0.00 H new ATOM 0 HA ILE A 30 21.066 21.354 36.218 1.00 0.00 H new ATOM 0 HB ILE A 30 19.101 22.728 34.359 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.655 20.500 36.388 1.00 0.00 H new ATOM 0 HG13 ILE A 30 18.109 22.157 36.559 1.00 0.00 H new ATOM 0 HG21 ILE A 30 18.897 20.487 33.303 1.00 0.00 H new ATOM 0 HG22 ILE A 30 20.551 21.131 33.171 1.00 0.00 H new ATOM 0 HG23 ILE A 30 20.179 19.874 34.374 1.00 0.00 H new ATOM 0 HD11 ILE A 30 16.271 20.703 35.800 1.00 0.00 H new ATOM 0 HD12 ILE A 30 16.669 21.905 34.549 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.223 20.222 34.375 1.00 0.00 H new ATOM 493 N LEU A 31 21.648 24.004 34.298 1.00 0.00 N ATOM 494 CA LEU A 31 22.628 24.679 33.452 1.00 0.00 C ATOM 495 C LEU A 31 23.954 24.890 34.200 1.00 0.00 C ATOM 496 O LEU A 31 25.000 24.612 33.631 1.00 0.00 O ATOM 497 CB LEU A 31 22.032 25.998 32.930 1.00 0.00 C ATOM 498 CG LEU A 31 20.764 25.814 32.076 1.00 0.00 C ATOM 499 CD1 LEU A 31 19.915 27.078 32.086 1.00 0.00 C ATOM 500 CD2 LEU A 31 21.091 25.484 30.621 1.00 0.00 C ATOM 0 H LEU A 31 20.828 24.574 34.504 1.00 0.00 H new ATOM 0 HA LEU A 31 22.860 24.050 32.593 1.00 0.00 H new ATOM 0 HB2 LEU A 31 21.797 26.640 33.779 1.00 0.00 H new ATOM 0 HB3 LEU A 31 22.786 26.517 32.337 1.00 0.00 H new ATOM 0 HG LEU A 31 20.219 24.981 32.520 1.00 0.00 H new ATOM 0 HD11 LEU A 31 19.025 26.923 31.476 1.00 0.00 H new ATOM 0 HD12 LEU A 31 19.618 27.309 33.109 1.00 0.00 H new ATOM 0 HD13 LEU A 31 20.493 27.908 31.680 1.00 0.00 H new ATOM 0 HD21 LEU A 31 20.165 25.363 30.058 1.00 0.00 H new ATOM 0 HD22 LEU A 31 21.677 26.294 30.187 1.00 0.00 H new ATOM 0 HD23 LEU A 31 21.665 24.558 30.578 1.00 0.00 H new ATOM 512 N GLU A 32 23.927 25.313 35.464 1.00 0.00 N ATOM 513 CA GLU A 32 25.094 25.453 36.338 1.00 0.00 C ATOM 514 C GLU A 32 25.761 24.123 36.717 1.00 0.00 C ATOM 515 O GLU A 32 26.989 24.060 36.791 1.00 0.00 O ATOM 516 CB GLU A 32 24.672 26.231 37.591 1.00 0.00 C ATOM 517 CG GLU A 32 24.564 27.740 37.328 1.00 0.00 C ATOM 518 CD GLU A 32 25.929 28.436 37.194 1.00 0.00 C ATOM 519 OE1 GLU A 32 26.684 28.192 36.228 1.00 0.00 O ATOM 520 OE2 GLU A 32 26.256 29.294 38.045 1.00 0.00 O ATOM 0 H GLU A 32 23.057 25.578 35.926 1.00 0.00 H new ATOM 0 HA GLU A 32 25.856 25.997 35.780 1.00 0.00 H new ATOM 0 HB2 GLU A 32 23.711 25.856 37.943 1.00 0.00 H new ATOM 0 HB3 GLU A 32 25.395 26.054 38.387 1.00 0.00 H new ATOM 0 HG2 GLU A 32 23.991 27.902 36.415 1.00 0.00 H new ATOM 0 HG3 GLU A 32 24.006 28.204 38.141 1.00 0.00 H new ATOM 527 N ASP A 33 25.008 23.036 36.918 1.00 0.00 N ATOM 528 CA ASP A 33 25.631 21.710 37.039 1.00 0.00 C ATOM 529 C ASP A 33 26.351 21.291 35.748 1.00 0.00 C ATOM 530 O ASP A 33 27.502 20.859 35.812 1.00 0.00 O ATOM 531 CB ASP A 33 24.627 20.641 37.501 1.00 0.00 C ATOM 532 CG ASP A 33 25.354 19.395 38.017 1.00 0.00 C ATOM 533 OD1 ASP A 33 26.166 19.541 38.963 1.00 0.00 O ATOM 534 OD2 ASP A 33 25.091 18.271 37.526 1.00 0.00 O ATOM 0 H ASP A 33 23.991 23.043 36.999 1.00 0.00 H new ATOM 0 HA ASP A 33 26.391 21.792 37.816 1.00 0.00 H new ATOM 0 HB2 ASP A 33 23.992 21.048 38.288 1.00 0.00 H new ATOM 0 HB3 ASP A 33 23.973 20.368 36.673 1.00 0.00 H new ATOM 539 N LEU A 34 25.731 21.479 34.574 1.00 0.00 N ATOM 540 CA LEU A 34 26.384 21.277 33.278 1.00 0.00 C ATOM 541 C LEU A 34 27.625 22.171 33.115 1.00 0.00 C ATOM 542 O LEU A 34 28.685 21.673 32.746 1.00 0.00 O ATOM 543 CB LEU A 34 25.370 21.518 32.145 1.00 0.00 C ATOM 544 CG LEU A 34 24.350 20.388 31.931 1.00 0.00 C ATOM 545 CD1 LEU A 34 23.282 20.866 30.948 1.00 0.00 C ATOM 546 CD2 LEU A 34 25.001 19.137 31.327 1.00 0.00 C ATOM 0 H LEU A 34 24.758 21.777 34.499 1.00 0.00 H new ATOM 0 HA LEU A 34 26.734 20.246 33.228 1.00 0.00 H new ATOM 0 HB2 LEU A 34 24.828 22.441 32.353 1.00 0.00 H new ATOM 0 HB3 LEU A 34 25.918 21.673 31.215 1.00 0.00 H new ATOM 0 HG LEU A 34 23.928 20.136 32.904 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.553 20.072 30.789 1.00 0.00 H new ATOM 0 HD12 LEU A 34 22.780 21.744 31.355 1.00 0.00 H new ATOM 0 HD13 LEU A 34 23.751 21.124 29.998 1.00 0.00 H new ATOM 0 HD21 LEU A 34 24.246 18.363 31.192 1.00 0.00 H new ATOM 0 HD22 LEU A 34 25.442 19.386 30.362 1.00 0.00 H new ATOM 0 HD23 LEU A 34 25.779 18.772 31.998 1.00 0.00 H new ATOM 558 N ALA A 35 27.521 23.465 33.417 1.00 0.00 N ATOM 559 CA ALA A 35 28.613 24.436 33.425 1.00 0.00 C ATOM 560 C ALA A 35 29.806 23.923 34.245 1.00 0.00 C ATOM 561 O ALA A 35 30.903 23.727 33.708 1.00 0.00 O ATOM 562 CB ALA A 35 28.063 25.768 33.961 1.00 0.00 C ATOM 0 H ALA A 35 26.628 23.885 33.675 1.00 0.00 H new ATOM 0 HA ALA A 35 28.991 24.588 32.414 1.00 0.00 H new ATOM 0 HB1 ALA A 35 28.860 26.511 33.977 1.00 0.00 H new ATOM 0 HB2 ALA A 35 27.257 26.115 33.315 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.681 25.624 34.972 1.00 0.00 H new ATOM 568 N GLN A 36 29.571 23.613 35.526 1.00 0.00 N ATOM 569 CA GLN A 36 30.585 23.059 36.422 1.00 0.00 C ATOM 570 C GLN A 36 31.194 21.747 35.888 1.00 0.00 C ATOM 571 O GLN A 36 32.418 21.579 35.938 1.00 0.00 O ATOM 572 CB GLN A 36 29.990 22.886 37.835 1.00 0.00 C ATOM 573 CG GLN A 36 30.895 22.190 38.877 1.00 0.00 C ATOM 574 CD GLN A 36 32.193 22.925 39.222 1.00 0.00 C ATOM 575 OE1 GLN A 36 32.512 23.186 40.376 1.00 0.00 O ATOM 576 NE2 GLN A 36 33.045 23.211 38.265 1.00 0.00 N ATOM 0 H GLN A 36 28.662 23.742 35.971 1.00 0.00 H new ATOM 0 HA GLN A 36 31.413 23.766 36.474 1.00 0.00 H new ATOM 0 HB2 GLN A 36 29.723 23.871 38.217 1.00 0.00 H new ATOM 0 HB3 GLN A 36 29.065 22.316 37.750 1.00 0.00 H new ATOM 0 HG2 GLN A 36 30.322 22.051 39.794 1.00 0.00 H new ATOM 0 HG3 GLN A 36 31.148 21.197 38.506 1.00 0.00 H new ATOM 0 HE21 GLN A 36 32.809 23.006 37.294 1.00 0.00 H new ATOM 0 HE22 GLN A 36 33.943 23.638 38.492 1.00 0.00 H new ATOM 585 N LYS A 37 30.365 20.822 35.390 1.00 0.00 N ATOM 586 CA LYS A 37 30.762 19.493 34.896 1.00 0.00 C ATOM 587 C LYS A 37 31.448 19.499 33.525 1.00 0.00 C ATOM 588 O LYS A 37 32.069 18.496 33.174 1.00 0.00 O ATOM 589 CB LYS A 37 29.510 18.597 34.865 1.00 0.00 C ATOM 590 CG LYS A 37 29.035 18.199 36.279 1.00 0.00 C ATOM 591 CD LYS A 37 29.773 16.960 36.803 1.00 0.00 C ATOM 592 CE LYS A 37 29.169 15.704 36.165 1.00 0.00 C ATOM 593 NZ LYS A 37 30.192 14.700 35.799 1.00 0.00 N ATOM 0 H LYS A 37 29.360 20.982 35.316 1.00 0.00 H new ATOM 0 HA LYS A 37 31.516 19.108 35.583 1.00 0.00 H new ATOM 0 HB2 LYS A 37 28.705 19.120 34.348 1.00 0.00 H new ATOM 0 HB3 LYS A 37 29.725 17.696 34.290 1.00 0.00 H new ATOM 0 HG2 LYS A 37 29.194 19.032 36.963 1.00 0.00 H new ATOM 0 HG3 LYS A 37 27.963 18.002 36.260 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.835 17.028 36.566 1.00 0.00 H new ATOM 0 HD3 LYS A 37 29.691 16.906 37.889 1.00 0.00 H new ATOM 0 HE2 LYS A 37 28.458 15.256 36.859 1.00 0.00 H new ATOM 0 HE3 LYS A 37 28.609 15.988 35.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 29.729 13.872 35.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 30.857 15.115 35.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 30.710 14.406 36.651 1.00 0.00 H new ATOM 607 N LEU A 38 31.358 20.582 32.749 1.00 0.00 N ATOM 608 CA LEU A 38 31.839 20.659 31.357 1.00 0.00 C ATOM 609 C LEU A 38 32.868 21.779 31.105 1.00 0.00 C ATOM 610 O LEU A 38 33.398 21.872 29.999 1.00 0.00 O ATOM 611 CB LEU A 38 30.624 20.791 30.416 1.00 0.00 C ATOM 612 CG LEU A 38 29.612 19.626 30.472 1.00 0.00 C ATOM 613 CD1 LEU A 38 28.426 19.957 29.575 1.00 0.00 C ATOM 614 CD2 LEU A 38 30.210 18.303 29.993 1.00 0.00 C ATOM 0 H LEU A 38 30.939 21.454 33.074 1.00 0.00 H new ATOM 0 HA LEU A 38 32.381 19.736 31.150 1.00 0.00 H new ATOM 0 HB2 LEU A 38 30.100 21.717 30.655 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.987 20.885 29.393 1.00 0.00 H new ATOM 0 HG LEU A 38 29.314 19.508 31.514 1.00 0.00 H new ATOM 0 HD11 LEU A 38 27.706 19.140 29.608 1.00 0.00 H new ATOM 0 HD12 LEU A 38 27.951 20.874 29.924 1.00 0.00 H new ATOM 0 HD13 LEU A 38 28.772 20.095 28.551 1.00 0.00 H new ATOM 0 HD21 LEU A 38 29.455 17.519 30.054 1.00 0.00 H new ATOM 0 HD22 LEU A 38 30.543 18.407 28.960 1.00 0.00 H new ATOM 0 HD23 LEU A 38 31.059 18.038 30.623 1.00 0.00 H new ATOM 626 N ASN A 39 33.177 22.591 32.124 1.00 0.00 N ATOM 627 CA ASN A 39 34.042 23.779 32.071 1.00 0.00 C ATOM 628 C ASN A 39 33.573 24.808 31.016 1.00 0.00 C ATOM 629 O ASN A 39 34.304 25.227 30.111 1.00 0.00 O ATOM 630 CB ASN A 39 35.522 23.351 31.980 1.00 0.00 C ATOM 631 CG ASN A 39 36.470 24.400 32.541 1.00 0.00 C ATOM 632 OD1 ASN A 39 36.212 25.597 32.531 1.00 0.00 O ATOM 633 ND2 ASN A 39 37.582 23.978 33.088 1.00 0.00 N ATOM 0 H ASN A 39 32.810 22.428 33.061 1.00 0.00 H new ATOM 0 HA ASN A 39 33.953 24.335 33.004 1.00 0.00 H new ATOM 0 HB2 ASN A 39 35.660 22.415 32.522 1.00 0.00 H new ATOM 0 HB3 ASN A 39 35.777 23.156 30.938 1.00 0.00 H new ATOM 0 HD21 ASN A 39 38.231 24.646 33.504 1.00 0.00 H new ATOM 0 HD22 ASN A 39 37.799 22.981 33.098 1.00 0.00 H new ATOM 640 N LEU A 40 32.317 25.227 31.164 1.00 0.00 N ATOM 641 CA LEU A 40 31.617 26.240 30.371 1.00 0.00 C ATOM 642 C LEU A 40 30.939 27.231 31.327 1.00 0.00 C ATOM 643 O LEU A 40 30.611 26.859 32.449 1.00 0.00 O ATOM 644 CB LEU A 40 30.533 25.539 29.526 1.00 0.00 C ATOM 645 CG LEU A 40 31.007 24.542 28.457 1.00 0.00 C ATOM 646 CD1 LEU A 40 29.810 23.751 27.926 1.00 0.00 C ATOM 647 CD2 LEU A 40 31.688 25.251 27.287 1.00 0.00 C ATOM 0 H LEU A 40 31.718 24.840 31.893 1.00 0.00 H new ATOM 0 HA LEU A 40 32.318 26.766 29.723 1.00 0.00 H new ATOM 0 HB2 LEU A 40 29.864 25.012 30.206 1.00 0.00 H new ATOM 0 HB3 LEU A 40 29.942 26.309 29.030 1.00 0.00 H new ATOM 0 HG LEU A 40 31.730 23.874 28.925 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.148 23.044 27.168 1.00 0.00 H new ATOM 0 HD12 LEU A 40 29.341 23.207 28.746 1.00 0.00 H new ATOM 0 HD13 LEU A 40 29.087 24.437 27.485 1.00 0.00 H new ATOM 0 HD21 LEU A 40 32.009 24.513 26.552 1.00 0.00 H new ATOM 0 HD22 LEU A 40 30.986 25.944 26.823 1.00 0.00 H new ATOM 0 HD23 LEU A 40 32.555 25.802 27.651 1.00 0.00 H new ATOM 659 N GLU A 41 30.660 28.456 30.889 1.00 0.00 N ATOM 660 CA GLU A 41 29.827 29.399 31.636 1.00 0.00 C ATOM 661 C GLU A 41 28.321 29.204 31.363 1.00 0.00 C ATOM 662 O GLU A 41 27.919 28.776 30.274 1.00 0.00 O ATOM 663 CB GLU A 41 30.268 30.846 31.341 1.00 0.00 C ATOM 664 CG GLU A 41 30.253 31.273 29.860 1.00 0.00 C ATOM 665 CD GLU A 41 31.610 31.108 29.162 1.00 0.00 C ATOM 666 OE1 GLU A 41 32.231 30.034 29.283 1.00 0.00 O ATOM 667 OE2 GLU A 41 32.115 32.032 28.468 1.00 0.00 O ATOM 0 H GLU A 41 31.006 28.825 30.003 1.00 0.00 H new ATOM 0 HA GLU A 41 29.973 29.196 32.697 1.00 0.00 H new ATOM 0 HB2 GLU A 41 29.620 31.522 31.899 1.00 0.00 H new ATOM 0 HB3 GLU A 41 31.278 30.982 31.727 1.00 0.00 H new ATOM 0 HG2 GLU A 41 29.506 30.684 29.328 1.00 0.00 H new ATOM 0 HG3 GLU A 41 29.944 32.316 29.794 1.00 0.00 H new ATOM 674 N LEU A 42 27.489 29.603 32.336 1.00 0.00 N ATOM 675 CA LEU A 42 26.018 29.592 32.289 1.00 0.00 C ATOM 676 C LEU A 42 25.465 30.102 30.950 1.00 0.00 C ATOM 677 O LEU A 42 24.620 29.445 30.342 1.00 0.00 O ATOM 678 CB LEU A 42 25.492 30.392 33.500 1.00 0.00 C ATOM 679 CG LEU A 42 23.968 30.430 33.755 1.00 0.00 C ATOM 680 CD1 LEU A 42 23.214 31.443 32.887 1.00 0.00 C ATOM 681 CD2 LEU A 42 23.302 29.068 33.591 1.00 0.00 C ATOM 0 H LEU A 42 27.842 29.961 33.224 1.00 0.00 H new ATOM 0 HA LEU A 42 25.660 28.565 32.355 1.00 0.00 H new ATOM 0 HB2 LEU A 42 25.968 29.990 34.394 1.00 0.00 H new ATOM 0 HB3 LEU A 42 25.835 31.421 33.392 1.00 0.00 H new ATOM 0 HG LEU A 42 23.897 30.748 34.795 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.151 31.408 33.127 1.00 0.00 H new ATOM 0 HD12 LEU A 42 23.597 32.445 33.081 1.00 0.00 H new ATOM 0 HD13 LEU A 42 23.357 31.198 31.835 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.233 29.160 33.783 1.00 0.00 H new ATOM 0 HD22 LEU A 42 23.458 28.707 32.575 1.00 0.00 H new ATOM 0 HD23 LEU A 42 23.738 28.362 34.298 1.00 0.00 H new ATOM 693 N ASP A 43 25.963 31.239 30.456 1.00 0.00 N ATOM 694 CA ASP A 43 25.541 31.789 29.167 1.00 0.00 C ATOM 695 C ASP A 43 25.896 30.893 27.970 1.00 0.00 C ATOM 696 O ASP A 43 25.086 30.804 27.054 1.00 0.00 O ATOM 697 CB ASP A 43 26.068 33.220 28.974 1.00 0.00 C ATOM 698 CG ASP A 43 25.042 34.253 29.448 1.00 0.00 C ATOM 699 OD1 ASP A 43 24.509 34.123 30.576 1.00 0.00 O ATOM 700 OD2 ASP A 43 24.709 35.194 28.695 1.00 0.00 O ATOM 0 H ASP A 43 26.666 31.801 30.936 1.00 0.00 H new ATOM 0 HA ASP A 43 24.452 31.824 29.197 1.00 0.00 H new ATOM 0 HB2 ASP A 43 26.998 33.346 29.528 1.00 0.00 H new ATOM 0 HB3 ASP A 43 26.298 33.387 27.922 1.00 0.00 H new ATOM 705 N ARG A 44 27.023 30.161 27.946 1.00 0.00 N ATOM 706 CA ARG A 44 27.275 29.196 26.853 1.00 0.00 C ATOM 707 C ARG A 44 26.251 28.070 26.861 1.00 0.00 C ATOM 708 O ARG A 44 25.807 27.670 25.784 1.00 0.00 O ATOM 709 CB ARG A 44 28.687 28.584 26.893 1.00 0.00 C ATOM 710 CG ARG A 44 29.769 29.554 26.411 1.00 0.00 C ATOM 711 CD ARG A 44 31.141 28.866 26.376 1.00 0.00 C ATOM 712 NE ARG A 44 32.213 29.866 26.374 1.00 0.00 N ATOM 713 CZ ARG A 44 33.495 29.635 26.567 1.00 0.00 C ATOM 714 NH1 ARG A 44 34.083 28.512 26.275 1.00 0.00 N ATOM 715 NH2 ARG A 44 34.193 30.587 27.092 1.00 0.00 N ATOM 0 H ARG A 44 27.759 30.213 28.650 1.00 0.00 H new ATOM 0 HA ARG A 44 27.187 29.775 25.934 1.00 0.00 H new ATOM 0 HB2 ARG A 44 28.914 28.272 27.912 1.00 0.00 H new ATOM 0 HB3 ARG A 44 28.707 27.688 26.273 1.00 0.00 H new ATOM 0 HG2 ARG A 44 29.517 29.923 25.417 1.00 0.00 H new ATOM 0 HG3 ARG A 44 29.808 30.420 27.072 1.00 0.00 H new ATOM 0 HD2 ARG A 44 31.248 28.210 27.240 1.00 0.00 H new ATOM 0 HD3 ARG A 44 31.218 28.239 25.488 1.00 0.00 H new ATOM 0 HE ARG A 44 31.939 30.834 26.207 1.00 0.00 H new ATOM 0 HH11 ARG A 44 33.546 27.745 25.871 1.00 0.00 H new ATOM 0 HH12 ARG A 44 35.081 28.398 26.450 1.00 0.00 H new ATOM 0 HH21 ARG A 44 33.747 31.471 27.338 1.00 0.00 H new ATOM 0 HH22 ARG A 44 35.190 30.455 27.261 1.00 0.00 H new ATOM 729 N ILE A 45 25.855 27.577 28.037 1.00 0.00 N ATOM 730 CA ILE A 45 24.788 26.567 28.132 1.00 0.00 C ATOM 731 C ILE A 45 23.428 27.151 27.747 1.00 0.00 C ATOM 732 O ILE A 45 22.728 26.524 26.957 1.00 0.00 O ATOM 733 CB ILE A 45 24.709 25.878 29.521 1.00 0.00 C ATOM 734 CG1 ILE A 45 25.860 26.125 30.510 1.00 0.00 C ATOM 735 CG2 ILE A 45 24.517 24.368 29.326 1.00 0.00 C ATOM 736 CD1 ILE A 45 27.212 25.509 30.148 1.00 0.00 C ATOM 0 H ILE A 45 26.252 27.856 28.934 1.00 0.00 H new ATOM 0 HA ILE A 45 25.056 25.792 27.414 1.00 0.00 H new ATOM 0 HB ILE A 45 23.856 26.358 30.000 1.00 0.00 H new ATOM 0 HG12 ILE A 45 25.993 27.202 30.617 1.00 0.00 H new ATOM 0 HG13 ILE A 45 25.560 25.742 31.485 1.00 0.00 H new ATOM 0 HG21 ILE A 45 24.461 23.880 30.299 1.00 0.00 H new ATOM 0 HG22 ILE A 45 23.594 24.187 28.775 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.360 23.964 28.765 1.00 0.00 H new ATOM 0 HD11 ILE A 45 27.941 25.752 30.921 1.00 0.00 H new ATOM 0 HD12 ILE A 45 27.110 24.426 30.073 1.00 0.00 H new ATOM 0 HD13 ILE A 45 27.550 25.909 29.192 1.00 0.00 H new ATOM 748 N GLN A 46 23.064 28.344 28.224 1.00 0.00 N ATOM 749 CA GLN A 46 21.848 29.035 27.782 1.00 0.00 C ATOM 750 C GLN A 46 21.837 29.230 26.263 1.00 0.00 C ATOM 751 O GLN A 46 20.912 28.770 25.603 1.00 0.00 O ATOM 752 CB GLN A 46 21.656 30.372 28.524 1.00 0.00 C ATOM 753 CG GLN A 46 20.760 30.262 29.769 1.00 0.00 C ATOM 754 CD GLN A 46 19.309 29.844 29.487 1.00 0.00 C ATOM 755 OE1 GLN A 46 18.847 29.755 28.355 1.00 0.00 O ATOM 756 NE2 GLN A 46 18.543 29.558 30.516 1.00 0.00 N ATOM 0 H GLN A 46 23.600 28.857 28.924 1.00 0.00 H new ATOM 0 HA GLN A 46 21.001 28.398 28.036 1.00 0.00 H new ATOM 0 HB2 GLN A 46 22.632 30.756 28.822 1.00 0.00 H new ATOM 0 HB3 GLN A 46 21.223 31.100 27.838 1.00 0.00 H new ATOM 0 HG2 GLN A 46 21.204 29.541 30.455 1.00 0.00 H new ATOM 0 HG3 GLN A 46 20.753 31.225 30.280 1.00 0.00 H new ATOM 0 HE21 GLN A 46 18.915 29.628 31.463 1.00 0.00 H new ATOM 0 HE22 GLN A 46 17.577 29.266 30.367 1.00 0.00 H new ATOM 765 N ILE A 47 22.867 29.835 25.661 1.00 0.00 N ATOM 766 CA ILE A 47 22.964 29.972 24.200 1.00 0.00 C ATOM 767 C ILE A 47 22.885 28.599 23.519 1.00 0.00 C ATOM 768 O ILE A 47 22.161 28.479 22.531 1.00 0.00 O ATOM 769 CB ILE A 47 24.209 30.803 23.785 1.00 0.00 C ATOM 770 CG1 ILE A 47 23.958 32.330 23.896 1.00 0.00 C ATOM 771 CG2 ILE A 47 24.596 30.563 22.313 1.00 0.00 C ATOM 772 CD1 ILE A 47 23.938 32.938 25.300 1.00 0.00 C ATOM 0 H ILE A 47 23.653 30.242 26.167 1.00 0.00 H new ATOM 0 HA ILE A 47 22.105 30.541 23.845 1.00 0.00 H new ATOM 0 HB ILE A 47 24.996 30.479 24.466 1.00 0.00 H new ATOM 0 HG12 ILE A 47 24.728 32.841 23.318 1.00 0.00 H new ATOM 0 HG13 ILE A 47 23.003 32.550 23.419 1.00 0.00 H new ATOM 0 HG21 ILE A 47 25.471 31.163 22.064 1.00 0.00 H new ATOM 0 HG22 ILE A 47 24.826 29.508 22.165 1.00 0.00 H new ATOM 0 HG23 ILE A 47 23.765 30.848 21.667 1.00 0.00 H new ATOM 0 HD11 ILE A 47 23.753 34.010 25.230 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.147 32.471 25.887 1.00 0.00 H new ATOM 0 HD13 ILE A 47 24.899 32.767 25.784 1.00 0.00 H new ATOM 784 N TRP A 48 23.546 27.552 24.026 1.00 0.00 N ATOM 785 CA TRP A 48 23.404 26.200 23.473 1.00 0.00 C ATOM 786 C TRP A 48 21.946 25.716 23.471 1.00 0.00 C ATOM 787 O TRP A 48 21.422 25.394 22.397 1.00 0.00 O ATOM 788 CB TRP A 48 24.348 25.203 24.161 1.00 0.00 C ATOM 789 CG TRP A 48 24.313 23.822 23.573 1.00 0.00 C ATOM 790 CD1 TRP A 48 25.144 23.350 22.617 1.00 0.00 C ATOM 791 CD2 TRP A 48 23.382 22.731 23.863 1.00 0.00 C ATOM 792 NE1 TRP A 48 24.796 22.050 22.308 1.00 0.00 N ATOM 793 CE2 TRP A 48 23.729 21.614 23.054 1.00 0.00 C ATOM 794 CE3 TRP A 48 22.274 22.567 24.723 1.00 0.00 C ATOM 795 CZ2 TRP A 48 23.002 20.415 23.066 1.00 0.00 C ATOM 796 CZ3 TRP A 48 21.504 21.391 24.707 1.00 0.00 C ATOM 797 CH2 TRP A 48 21.860 20.317 23.874 1.00 0.00 C ATOM 0 H TRP A 48 24.185 27.615 24.819 1.00 0.00 H new ATOM 0 HA TRP A 48 23.706 26.255 22.427 1.00 0.00 H new ATOM 0 HB2 TRP A 48 25.367 25.585 24.104 1.00 0.00 H new ATOM 0 HB3 TRP A 48 24.089 25.143 25.218 1.00 0.00 H new ATOM 0 HD1 TRP A 48 25.954 23.903 22.165 1.00 0.00 H new ATOM 0 HE1 TRP A 48 25.274 21.482 21.609 1.00 0.00 H new ATOM 0 HE3 TRP A 48 22.013 23.361 25.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 23.317 19.578 22.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 20.632 21.312 25.340 1.00 0.00 H new ATOM 0 HH2 TRP A 48 21.257 19.421 23.856 1.00 0.00 H new ATOM 808 N PHE A 49 21.284 25.715 24.633 1.00 0.00 N ATOM 809 CA PHE A 49 19.880 25.300 24.775 1.00 0.00 C ATOM 810 C PHE A 49 18.922 26.179 23.967 1.00 0.00 C ATOM 811 O PHE A 49 18.119 25.638 23.209 1.00 0.00 O ATOM 812 CB PHE A 49 19.456 25.283 26.257 1.00 0.00 C ATOM 813 CG PHE A 49 19.722 23.968 26.963 1.00 0.00 C ATOM 814 CD1 PHE A 49 18.786 22.921 26.878 1.00 0.00 C ATOM 815 CD2 PHE A 49 20.894 23.785 27.719 1.00 0.00 C ATOM 816 CE1 PHE A 49 19.037 21.699 27.526 1.00 0.00 C ATOM 817 CE2 PHE A 49 21.157 22.554 28.343 1.00 0.00 C ATOM 818 CZ PHE A 49 20.232 21.505 28.240 1.00 0.00 C ATOM 0 H PHE A 49 21.711 26.005 25.513 1.00 0.00 H new ATOM 0 HA PHE A 49 19.816 24.289 24.372 1.00 0.00 H new ATOM 0 HB2 PHE A 49 19.983 26.079 26.784 1.00 0.00 H new ATOM 0 HB3 PHE A 49 18.392 25.509 26.322 1.00 0.00 H new ATOM 0 HD1 PHE A 49 17.874 23.056 26.315 1.00 0.00 H new ATOM 0 HD2 PHE A 49 21.598 24.598 27.821 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.307 20.905 27.475 1.00 0.00 H new ATOM 0 HE2 PHE A 49 22.071 22.416 28.902 1.00 0.00 H new ATOM 0 HZ PHE A 49 20.437 20.553 28.707 1.00 0.00 H new ATOM 828 N GLN A 50 19.012 27.510 24.036 1.00 0.00 N ATOM 829 CA GLN A 50 18.203 28.411 23.205 1.00 0.00 C ATOM 830 C GLN A 50 18.433 28.169 21.709 1.00 0.00 C ATOM 831 O GLN A 50 17.456 28.100 20.964 1.00 0.00 O ATOM 832 CB GLN A 50 18.447 29.894 23.549 1.00 0.00 C ATOM 833 CG GLN A 50 18.074 30.329 24.980 1.00 0.00 C ATOM 834 CD GLN A 50 16.678 29.919 25.434 1.00 0.00 C ATOM 835 OE1 GLN A 50 15.703 29.967 24.691 1.00 0.00 O ATOM 836 NE2 GLN A 50 16.529 29.518 26.675 1.00 0.00 N ATOM 0 H GLN A 50 19.648 27.995 24.669 1.00 0.00 H new ATOM 0 HA GLN A 50 17.162 28.180 23.432 1.00 0.00 H new ATOM 0 HB2 GLN A 50 19.502 30.114 23.388 1.00 0.00 H new ATOM 0 HB3 GLN A 50 17.882 30.507 22.846 1.00 0.00 H new ATOM 0 HG2 GLN A 50 18.803 29.909 25.673 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.158 31.414 25.048 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.336 29.476 27.298 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.606 29.248 27.017 1.00 0.00 H new ATOM 845 N ASN A 51 19.674 27.937 21.246 1.00 0.00 N ATOM 846 CA ASN A 51 19.880 27.551 19.845 1.00 0.00 C ATOM 847 C ASN A 51 19.200 26.207 19.521 1.00 0.00 C ATOM 848 O ASN A 51 18.613 26.077 18.451 1.00 0.00 O ATOM 849 CB ASN A 51 21.382 27.519 19.498 1.00 0.00 C ATOM 850 CG ASN A 51 21.975 28.866 19.107 1.00 0.00 C ATOM 851 OD1 ASN A 51 22.244 29.131 17.951 1.00 0.00 O ATOM 852 ND2 ASN A 51 22.280 29.717 20.054 1.00 0.00 N ATOM 0 H ASN A 51 20.525 28.008 21.805 1.00 0.00 H new ATOM 0 HA ASN A 51 19.408 28.309 19.220 1.00 0.00 H new ATOM 0 HB2 ASN A 51 21.931 27.131 20.356 1.00 0.00 H new ATOM 0 HB3 ASN A 51 21.536 26.818 18.678 1.00 0.00 H new ATOM 0 HD21 ASN A 51 22.741 30.597 19.820 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.057 29.500 21.025 1.00 0.00 H new ATOM 859 N ARG A 52 19.214 25.230 20.438 1.00 0.00 N ATOM 860 CA ARG A 52 18.497 23.951 20.292 1.00 0.00 C ATOM 861 C ARG A 52 16.982 24.128 20.224 1.00 0.00 C ATOM 862 O ARG A 52 16.345 23.625 19.303 1.00 0.00 O ATOM 863 CB ARG A 52 18.859 22.977 21.434 1.00 0.00 C ATOM 864 CG ARG A 52 19.754 21.830 20.962 1.00 0.00 C ATOM 865 CD ARG A 52 21.246 22.118 21.091 1.00 0.00 C ATOM 866 NE ARG A 52 21.742 23.313 20.390 1.00 0.00 N ATOM 867 CZ ARG A 52 22.344 23.380 19.218 1.00 0.00 C ATOM 868 NH1 ARG A 52 22.344 22.405 18.356 1.00 0.00 N ATOM 869 NH2 ARG A 52 22.997 24.451 18.881 1.00 0.00 N ATOM 0 H ARG A 52 19.730 25.305 21.315 1.00 0.00 H new ATOM 0 HA ARG A 52 18.822 23.528 19.341 1.00 0.00 H new ATOM 0 HB2 ARG A 52 19.365 23.525 22.229 1.00 0.00 H new ATOM 0 HB3 ARG A 52 17.944 22.567 21.862 1.00 0.00 H new ATOM 0 HG2 ARG A 52 19.515 20.935 21.537 1.00 0.00 H new ATOM 0 HG3 ARG A 52 19.525 21.609 19.919 1.00 0.00 H new ATOM 0 HD2 ARG A 52 21.485 22.219 22.150 1.00 0.00 H new ATOM 0 HD3 ARG A 52 21.795 21.252 20.721 1.00 0.00 H new ATOM 0 HE ARG A 52 21.603 24.202 20.871 1.00 0.00 H new ATOM 0 HH11 ARG A 52 21.861 21.533 18.572 1.00 0.00 H new ATOM 0 HH12 ARG A 52 22.827 22.513 17.464 1.00 0.00 H new ATOM 0 HH21 ARG A 52 23.045 25.242 19.523 1.00 0.00 H new ATOM 0 HH22 ARG A 52 23.462 24.501 17.974 1.00 0.00 H new ATOM 883 N ARG A 53 16.388 24.828 21.190 1.00 0.00 N ATOM 884 CA ARG A 53 14.940 25.066 21.271 1.00 0.00 C ATOM 885 C ARG A 53 14.437 25.908 20.093 1.00 0.00 C ATOM 886 O ARG A 53 13.382 25.590 19.548 1.00 0.00 O ATOM 887 CB ARG A 53 14.575 25.636 22.662 1.00 0.00 C ATOM 888 CG ARG A 53 13.450 24.827 23.335 1.00 0.00 C ATOM 889 CD ARG A 53 12.085 25.126 22.703 1.00 0.00 C ATOM 890 NE ARG A 53 11.089 24.081 22.990 1.00 0.00 N ATOM 891 CZ ARG A 53 9.783 24.194 22.856 1.00 0.00 C ATOM 892 NH1 ARG A 53 9.172 25.343 22.830 1.00 0.00 N ATOM 893 NH2 ARG A 53 9.039 23.140 22.724 1.00 0.00 N ATOM 0 H ARG A 53 16.908 25.256 21.956 1.00 0.00 H new ATOM 0 HA ARG A 53 14.411 24.117 21.176 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.459 25.630 23.300 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.263 26.675 22.558 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.666 23.762 23.250 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.418 25.062 24.399 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.719 26.084 23.073 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.202 25.225 21.624 1.00 0.00 H new ATOM 0 HE ARG A 53 11.443 23.185 23.324 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.707 26.207 22.915 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.158 25.379 22.724 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.464 22.213 22.723 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.029 23.238 22.621 1.00 0.00 H new ATOM 907 N ALA A 54 15.221 26.886 19.624 1.00 0.00 N ATOM 908 CA ALA A 54 14.996 27.518 18.321 1.00 0.00 C ATOM 909 C ALA A 54 15.013 26.477 17.183 1.00 0.00 C ATOM 910 O ALA A 54 13.991 26.277 16.527 1.00 0.00 O ATOM 911 CB ALA A 54 16.023 28.640 18.111 1.00 0.00 C ATOM 0 H ALA A 54 16.023 27.258 20.133 1.00 0.00 H new ATOM 0 HA ALA A 54 14.002 27.966 18.304 1.00 0.00 H new ATOM 0 HB1 ALA A 54 15.855 29.110 17.142 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.914 29.385 18.899 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.029 28.223 18.143 1.00 0.00 H new ATOM 917 N LYS A 55 16.135 25.765 16.997 1.00 0.00 N ATOM 918 CA LYS A 55 16.370 24.781 15.928 1.00 0.00 C ATOM 919 C LYS A 55 15.293 23.696 15.828 1.00 0.00 C ATOM 920 O LYS A 55 14.828 23.415 14.729 1.00 0.00 O ATOM 921 CB LYS A 55 17.782 24.188 16.117 1.00 0.00 C ATOM 922 CG LYS A 55 18.201 23.028 15.196 1.00 0.00 C ATOM 923 CD LYS A 55 18.533 23.425 13.755 1.00 0.00 C ATOM 924 CE LYS A 55 17.275 23.718 12.937 1.00 0.00 C ATOM 925 NZ LYS A 55 17.603 23.955 11.520 1.00 0.00 N ATOM 0 H LYS A 55 16.940 25.864 17.616 1.00 0.00 H new ATOM 0 HA LYS A 55 16.306 25.299 14.971 1.00 0.00 H new ATOM 0 HB2 LYS A 55 18.504 24.995 15.990 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.866 23.845 17.148 1.00 0.00 H new ATOM 0 HG2 LYS A 55 19.072 22.537 15.630 1.00 0.00 H new ATOM 0 HG3 LYS A 55 17.397 22.292 15.177 1.00 0.00 H new ATOM 0 HD2 LYS A 55 19.175 24.306 13.760 1.00 0.00 H new ATOM 0 HD3 LYS A 55 19.096 22.623 13.279 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.583 22.880 13.017 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.767 24.591 13.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.961 24.675 11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 18.585 24.288 11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 17.494 23.069 10.986 1.00 0.00 H new ATOM 939 N LEU A 56 14.853 23.118 16.946 1.00 0.00 N ATOM 940 CA LEU A 56 13.789 22.109 16.966 1.00 0.00 C ATOM 941 C LEU A 56 12.491 22.684 16.366 1.00 0.00 C ATOM 942 O LEU A 56 11.973 22.146 15.387 1.00 0.00 O ATOM 943 CB LEU A 56 13.620 21.572 18.402 1.00 0.00 C ATOM 944 CG LEU A 56 13.090 20.126 18.485 1.00 0.00 C ATOM 945 CD1 LEU A 56 13.034 19.702 19.954 1.00 0.00 C ATOM 946 CD2 LEU A 56 11.695 19.944 17.888 1.00 0.00 C ATOM 0 H LEU A 56 15.226 23.337 17.870 1.00 0.00 H new ATOM 0 HA LEU A 56 14.058 21.260 16.337 1.00 0.00 H new ATOM 0 HB2 LEU A 56 14.582 21.623 18.911 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.938 22.227 18.944 1.00 0.00 H new ATOM 0 HG LEU A 56 13.776 19.513 17.901 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.660 18.680 20.024 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.034 19.753 20.386 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.368 20.370 20.500 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.391 18.902 17.984 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.986 20.579 18.420 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.711 20.222 16.834 1.00 0.00 H new ATOM 958 N LYS A 57 11.996 23.817 16.888 1.00 0.00 N ATOM 959 CA LYS A 57 10.781 24.478 16.378 1.00 0.00 C ATOM 960 C LYS A 57 10.925 24.994 14.935 1.00 0.00 C ATOM 961 O LYS A 57 9.986 24.816 14.159 1.00 0.00 O ATOM 962 CB LYS A 57 10.356 25.592 17.353 1.00 0.00 C ATOM 963 CG LYS A 57 8.997 26.222 16.979 1.00 0.00 C ATOM 964 CD LYS A 57 8.518 27.243 18.024 1.00 0.00 C ATOM 965 CE LYS A 57 7.870 26.565 19.239 1.00 0.00 C ATOM 966 NZ LYS A 57 6.417 26.342 19.048 1.00 0.00 N ATOM 0 H LYS A 57 12.426 24.302 17.676 1.00 0.00 H new ATOM 0 HA LYS A 57 9.992 23.728 16.327 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.298 25.184 18.362 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.121 26.369 17.367 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.081 26.711 16.009 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.251 25.435 16.875 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.363 27.847 18.354 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.801 27.923 17.564 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.361 25.610 19.424 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.028 27.182 20.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.022 25.882 19.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.943 27.255 18.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.265 25.732 18.219 1.00 0.00 H new ATOM 980 N ARG A 58 12.083 25.567 14.566 1.00 0.00 N ATOM 981 CA ARG A 58 12.316 26.404 13.365 1.00 0.00 C ATOM 982 C ARG A 58 11.325 27.578 13.252 1.00 0.00 C ATOM 983 O ARG A 58 10.395 27.728 14.042 1.00 0.00 O ATOM 984 CB ARG A 58 12.350 25.514 12.094 1.00 0.00 C ATOM 985 CG ARG A 58 13.692 24.778 11.918 1.00 0.00 C ATOM 986 CD ARG A 58 13.562 23.327 11.425 1.00 0.00 C ATOM 987 NE ARG A 58 12.925 22.435 12.415 1.00 0.00 N ATOM 988 CZ ARG A 58 12.414 21.240 12.163 1.00 0.00 C ATOM 989 NH1 ARG A 58 12.590 20.631 11.032 1.00 0.00 N ATOM 990 NH2 ARG A 58 11.717 20.621 13.067 1.00 0.00 N ATOM 0 H ARG A 58 12.930 25.456 15.123 1.00 0.00 H new ATOM 0 HA ARG A 58 13.293 26.876 13.468 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.544 24.783 12.146 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.162 26.133 11.217 1.00 0.00 H new ATOM 0 HG2 ARG A 58 14.308 25.335 11.212 1.00 0.00 H new ATOM 0 HG3 ARG A 58 14.220 24.779 12.871 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.979 23.313 10.504 1.00 0.00 H new ATOM 0 HD3 ARG A 58 14.552 22.942 11.182 1.00 0.00 H new ATOM 0 HE ARG A 58 12.874 22.769 13.377 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.140 21.073 10.295 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.178 19.710 10.879 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.561 21.055 13.977 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.326 19.700 12.867 1.00 0.00 H new ATOM 1004 N SER A 59 11.534 28.438 12.260 1.00 0.00 N ATOM 1005 CA SER A 59 10.532 29.379 11.756 1.00 0.00 C ATOM 1006 C SER A 59 10.702 29.534 10.241 1.00 0.00 C ATOM 1007 O SER A 59 11.289 30.499 9.747 1.00 0.00 O ATOM 1008 CB SER A 59 10.584 30.701 12.521 1.00 0.00 C ATOM 1009 OG SER A 59 9.374 31.389 12.282 1.00 0.00 O ATOM 0 H SER A 59 12.426 28.504 11.770 1.00 0.00 H new ATOM 0 HA SER A 59 9.530 28.988 11.930 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.715 30.520 13.588 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.434 31.299 12.192 1.00 0.00 H new ATOM 0 HG SER A 59 9.382 32.242 12.764 1.00 0.00 H new ATOM 1015 N HIS A 60 10.216 28.515 9.527 1.00 0.00 N ATOM 1016 CA HIS A 60 10.483 28.193 8.120 1.00 0.00 C ATOM 1017 C HIS A 60 11.972 27.903 7.791 1.00 0.00 C ATOM 1018 O HIS A 60 12.833 27.832 8.677 1.00 0.00 O ATOM 1019 CB HIS A 60 9.785 29.217 7.200 1.00 0.00 C ATOM 1020 CG HIS A 60 9.597 28.716 5.788 1.00 0.00 C ATOM 1021 ND1 HIS A 60 10.230 29.204 4.665 1.00 0.00 N ATOM 1022 CD2 HIS A 60 8.896 27.599 5.411 1.00 0.00 C ATOM 1023 CE1 HIS A 60 9.919 28.406 3.635 1.00 0.00 C ATOM 1024 NE2 HIS A 60 9.129 27.403 4.047 1.00 0.00 N ATOM 0 H HIS A 60 9.577 27.841 9.949 1.00 0.00 H new ATOM 0 HA HIS A 60 10.030 27.224 7.910 1.00 0.00 H new ATOM 0 HB2 HIS A 60 8.812 29.471 7.621 1.00 0.00 H new ATOM 0 HB3 HIS A 60 10.372 30.135 7.178 1.00 0.00 H new ATOM 0 HD2 HIS A 60 8.279 26.985 6.050 1.00 0.00 H new ATOM 0 HE1 HIS A 60 10.256 28.549 2.619 1.00 0.00 H new ATOM 0 HE2 HIS A 60 8.767 26.641 3.473 1.00 0.00 H new ATOM 1032 N ARG A 61 12.244 27.644 6.500 1.00 0.00 N ATOM 1033 CA ARG A 61 13.398 26.926 5.924 1.00 0.00 C ATOM 1034 C ARG A 61 13.582 25.517 6.525 1.00 0.00 C ATOM 1035 O ARG A 61 12.692 25.008 7.203 1.00 0.00 O ATOM 1036 CB ARG A 61 14.659 27.824 5.901 1.00 0.00 C ATOM 1037 CG ARG A 61 14.403 29.187 5.220 1.00 0.00 C ATOM 1038 CD ARG A 61 15.676 29.903 4.734 1.00 0.00 C ATOM 1039 NE ARG A 61 16.645 30.163 5.820 1.00 0.00 N ATOM 1040 CZ ARG A 61 17.772 29.518 6.072 1.00 0.00 C ATOM 1041 NH1 ARG A 61 18.220 28.552 5.325 1.00 0.00 N ATOM 1042 NH2 ARG A 61 18.506 29.818 7.100 1.00 0.00 N ATOM 0 H ARG A 61 11.607 27.959 5.768 1.00 0.00 H new ATOM 0 HA ARG A 61 13.190 26.716 4.875 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.001 27.991 6.922 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.461 27.305 5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.739 29.035 4.369 1.00 0.00 H new ATOM 0 HG3 ARG A 61 13.880 29.837 5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.155 29.297 3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 61 15.399 30.849 4.268 1.00 0.00 H new ATOM 0 HE ARG A 61 16.417 30.932 6.450 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.696 28.260 4.500 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.096 28.087 5.564 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.217 30.564 7.732 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.371 29.307 7.275 1.00 0.00 H new ATOM 1056 N GLU A 62 14.686 24.847 6.183 1.00 0.00 N ATOM 1057 CA GLU A 62 14.950 23.413 6.425 1.00 0.00 C ATOM 1058 C GLU A 62 13.801 22.483 5.959 1.00 0.00 C ATOM 1059 O GLU A 62 13.176 21.765 6.744 1.00 0.00 O ATOM 1060 CB GLU A 62 15.369 23.179 7.890 1.00 0.00 C ATOM 1061 CG GLU A 62 16.135 21.857 8.056 1.00 0.00 C ATOM 1062 CD GLU A 62 16.038 21.350 9.496 1.00 0.00 C ATOM 1063 OE1 GLU A 62 15.033 20.682 9.814 1.00 0.00 O ATOM 1064 OE2 GLU A 62 16.917 21.679 10.324 1.00 0.00 O ATOM 0 H GLU A 62 15.462 25.306 5.706 1.00 0.00 H new ATOM 0 HA GLU A 62 15.792 23.129 5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.993 24.007 8.227 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.483 23.169 8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.730 21.109 7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.181 22.001 7.786 1.00 0.00 H new ATOM 1071 N SER A 63 13.521 22.493 4.654 1.00 0.00 N ATOM 1072 CA SER A 63 12.616 21.554 3.975 1.00 0.00 C ATOM 1073 C SER A 63 13.065 21.334 2.526 1.00 0.00 C ATOM 1074 O SER A 63 13.894 22.100 2.025 1.00 0.00 O ATOM 1075 CB SER A 63 11.185 22.087 4.025 1.00 0.00 C ATOM 1076 OG SER A 63 10.299 21.083 3.595 1.00 0.00 O ATOM 0 H SER A 63 13.930 23.176 4.017 1.00 0.00 H new ATOM 0 HA SER A 63 12.648 20.593 4.488 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.936 22.398 5.040 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.090 22.968 3.390 1.00 0.00 H new ATOM 0 HG SER A 63 9.380 21.422 3.628 1.00 0.00 H new ATOM 1082 N GLN A 64 12.552 20.293 1.866 1.00 0.00 N ATOM 1083 CA GLN A 64 12.980 19.898 0.523 1.00 0.00 C ATOM 1084 C GLN A 64 12.448 20.864 -0.556 1.00 0.00 C ATOM 1085 O GLN A 64 11.255 21.182 -0.587 1.00 0.00 O ATOM 1086 CB GLN A 64 12.556 18.439 0.230 1.00 0.00 C ATOM 1087 CG GLN A 64 13.644 17.602 -0.474 1.00 0.00 C ATOM 1088 CD GLN A 64 14.363 18.357 -1.586 1.00 0.00 C ATOM 1089 OE1 GLN A 64 15.339 19.050 -1.352 1.00 0.00 O ATOM 1090 NE2 GLN A 64 13.872 18.355 -2.800 1.00 0.00 N ATOM 0 H GLN A 64 11.821 19.696 2.253 1.00 0.00 H new ATOM 0 HA GLN A 64 14.068 19.954 0.489 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.288 17.953 1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 64 11.660 18.449 -0.391 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.375 17.275 0.265 1.00 0.00 H new ATOM 0 HG3 GLN A 64 13.188 16.704 -0.891 1.00 0.00 H new ATOM 0 HE21 GLN A 64 13.056 17.783 -3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 64 14.305 18.925 -3.526 1.00 0.00 H new ATOM 1099 N PHE A 65 13.314 21.299 -1.473 1.00 0.00 N ATOM 1100 CA PHE A 65 12.992 22.216 -2.574 1.00 0.00 C ATOM 1101 C PHE A 65 13.793 21.900 -3.855 1.00 0.00 C ATOM 1102 O PHE A 65 14.540 20.925 -3.911 1.00 0.00 O ATOM 1103 CB PHE A 65 13.176 23.674 -2.095 1.00 0.00 C ATOM 1104 CG PHE A 65 14.609 24.175 -1.996 1.00 0.00 C ATOM 1105 CD1 PHE A 65 15.468 23.695 -0.987 1.00 0.00 C ATOM 1106 CD2 PHE A 65 15.090 25.127 -2.920 1.00 0.00 C ATOM 1107 CE1 PHE A 65 16.802 24.134 -0.926 1.00 0.00 C ATOM 1108 CE2 PHE A 65 16.428 25.559 -2.864 1.00 0.00 C ATOM 1109 CZ PHE A 65 17.285 25.060 -1.868 1.00 0.00 C ATOM 0 H PHE A 65 14.293 21.014 -1.472 1.00 0.00 H new ATOM 0 HA PHE A 65 11.948 22.077 -2.854 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.631 24.329 -2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 65 12.710 23.773 -1.115 1.00 0.00 H new ATOM 0 HD1 PHE A 65 15.100 22.988 -0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.428 25.526 -3.674 1.00 0.00 H new ATOM 0 HE1 PHE A 65 17.458 23.759 -0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 65 16.796 26.273 -3.586 1.00 0.00 H new ATOM 0 HZ PHE A 65 18.313 25.387 -1.826 1.00 0.00 H new ATOM 1119 N LEU A 66 13.634 22.732 -4.889 1.00 0.00 N ATOM 1120 CA LEU A 66 14.345 22.687 -6.172 1.00 0.00 C ATOM 1121 C LEU A 66 14.319 21.308 -6.873 1.00 0.00 C ATOM 1122 O LEU A 66 13.303 20.967 -7.479 1.00 0.00 O ATOM 1123 CB LEU A 66 15.752 23.305 -5.988 1.00 0.00 C ATOM 1124 CG LEU A 66 16.514 23.618 -7.290 1.00 0.00 C ATOM 1125 CD1 LEU A 66 15.896 24.798 -8.042 1.00 0.00 C ATOM 1126 CD2 LEU A 66 17.965 23.964 -6.962 1.00 0.00 C ATOM 0 H LEU A 66 12.965 23.501 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 66 13.802 23.301 -6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.653 24.227 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.355 22.621 -5.390 1.00 0.00 H new ATOM 0 HG LEU A 66 16.457 22.733 -7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 66 16.463 24.986 -8.954 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.863 24.565 -8.299 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.921 25.686 -7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.504 24.185 -7.883 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.992 24.835 -6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.436 23.119 -6.461 1.00 0.00 H new ATOM 1138 N MET A 67 15.427 20.556 -6.887 1.00 0.00 N ATOM 1139 CA MET A 67 15.694 19.413 -7.780 1.00 0.00 C ATOM 1140 C MET A 67 16.671 18.422 -7.155 1.00 0.00 C ATOM 1141 O MET A 67 16.620 17.238 -7.565 1.00 0.00 O ATOM 1142 CB MET A 67 16.288 19.910 -9.117 1.00 0.00 C ATOM 1143 CG MET A 67 15.327 20.762 -9.956 1.00 0.00 C ATOM 1144 SD MET A 67 15.996 21.322 -11.547 1.00 0.00 S ATOM 1145 CE MET A 67 15.960 19.762 -12.473 1.00 0.00 C ATOM 1146 OXT MET A 67 17.564 18.856 -6.400 1.00 0.00 O ATOM 0 H MET A 67 16.201 20.734 -6.247 1.00 0.00 H new ATOM 0 HA MET A 67 14.742 18.909 -7.949 1.00 0.00 H new ATOM 0 HB2 MET A 67 17.185 20.494 -8.908 1.00 0.00 H new ATOM 0 HB3 MET A 67 16.599 19.047 -9.706 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.421 20.185 -10.142 1.00 0.00 H new ATOM 0 HG3 MET A 67 15.035 21.636 -9.373 1.00 0.00 H new ATOM 0 HE1 MET A 67 16.205 19.953 -13.518 1.00 0.00 H new ATOM 0 HE2 MET A 67 16.689 19.071 -12.050 1.00 0.00 H new ATOM 0 HE3 MET A 67 14.964 19.323 -12.408 1.00 0.00 H new TER 1156 MET A 67