USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 388 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 9 ASN : amide:sc= -0.616 K(o=-0.62,f=-4.2!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.858 K(o=-0.86,f=-2.3!) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 17 SER OG : rot 20:sc= 0.318 USER MOD Single : A 19 CYS SG : rot -55:sc= 0.511! USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0608 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 90:sc= -1.21 USER MOD Single : A 27 SER OG : rot 180:sc= -0.996! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -170:sc= 0 (180deg=-0.075) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 78:sc= 0.128 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.195 F(o=-2.6!,f=-0.2) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 22.656 -11.933 4.073 1.00 1.00 N ATOM 58 CA GLY A 5 24.112 -11.975 4.148 1.00 1.00 C ATOM 59 C GLY A 5 24.700 -12.682 2.931 1.00 1.00 C ATOM 60 O GLY A 5 24.892 -12.071 1.880 1.00 1.00 O ATOM 0 HA2 GLY A 5 24.506 -10.961 4.210 1.00 1.00 H new ATOM 0 HA3 GLY A 5 24.418 -12.492 5.057 1.00 1.00 H new ATOM 64 N ASP A 6 24.983 -13.972 3.082 1.00 1.00 N ATOM 65 CA ASP A 6 25.550 -14.751 1.990 1.00 1.00 C ATOM 66 C ASP A 6 24.558 -14.862 0.837 1.00 1.00 C ATOM 67 O ASP A 6 24.817 -15.546 -0.154 1.00 1.00 O ATOM 68 CB ASP A 6 25.920 -16.151 2.485 1.00 1.00 C ATOM 69 CG ASP A 6 26.885 -16.813 1.507 1.00 1.00 C ATOM 70 OD1 ASP A 6 27.985 -16.306 1.358 1.00 1.00 O ATOM 71 OD2 ASP A 6 26.511 -17.816 0.923 1.00 1.00 O ATOM 0 H ASP A 6 24.830 -14.496 3.944 1.00 1.00 H new ATOM 0 HA ASP A 6 26.446 -14.243 1.634 1.00 1.00 H new ATOM 0 HB2 ASP A 6 26.377 -16.087 3.472 1.00 1.00 H new ATOM 0 HB3 ASP A 6 25.021 -16.758 2.589 1.00 1.00 H new ATOM 76 N PHE A 7 23.424 -14.184 0.973 1.00 1.00 N ATOM 77 CA PHE A 7 22.399 -14.213 -0.063 1.00 1.00 C ATOM 78 C PHE A 7 22.786 -13.302 -1.224 1.00 1.00 C ATOM 79 O PHE A 7 23.206 -13.773 -2.282 1.00 1.00 O ATOM 80 CB PHE A 7 21.060 -13.760 0.519 1.00 1.00 C ATOM 81 CG PHE A 7 20.126 -14.941 0.614 1.00 1.00 C ATOM 82 CD1 PHE A 7 20.322 -15.912 1.603 1.00 1.00 C ATOM 83 CD2 PHE A 7 19.062 -15.066 -0.289 1.00 1.00 C ATOM 84 CE1 PHE A 7 19.455 -17.007 1.690 1.00 1.00 C ATOM 85 CE2 PHE A 7 18.196 -16.162 -0.201 1.00 1.00 C ATOM 86 CZ PHE A 7 18.392 -17.133 0.788 1.00 1.00 C ATOM 0 H PHE A 7 23.192 -13.611 1.785 1.00 1.00 H new ATOM 0 HA PHE A 7 22.308 -15.234 -0.433 1.00 1.00 H new ATOM 0 HB2 PHE A 7 21.210 -13.322 1.506 1.00 1.00 H new ATOM 0 HB3 PHE A 7 20.621 -12.986 -0.110 1.00 1.00 H new ATOM 0 HD1 PHE A 7 21.142 -15.816 2.299 1.00 1.00 H new ATOM 0 HD2 PHE A 7 18.910 -14.317 -1.052 1.00 1.00 H new ATOM 0 HE1 PHE A 7 19.606 -17.756 2.454 1.00 1.00 H new ATOM 0 HE2 PHE A 7 17.376 -16.259 -0.897 1.00 1.00 H new ATOM 0 HZ PHE A 7 17.724 -17.979 0.855 1.00 1.00 H new ATOM 96 N ASP A 8 22.641 -11.998 -1.020 1.00 1.00 N ATOM 97 CA ASP A 8 22.977 -11.029 -2.057 1.00 1.00 C ATOM 98 C ASP A 8 24.427 -11.199 -2.499 1.00 1.00 C ATOM 99 O ASP A 8 25.355 -10.917 -1.741 1.00 1.00 O ATOM 100 CB ASP A 8 22.766 -9.608 -1.531 1.00 1.00 C ATOM 101 CG ASP A 8 22.313 -8.694 -2.665 1.00 1.00 C ATOM 102 OD1 ASP A 8 23.032 -8.598 -3.646 1.00 1.00 O ATOM 103 OD2 ASP A 8 21.253 -8.104 -2.536 1.00 1.00 O ATOM 0 H ASP A 8 22.295 -11.589 -0.152 1.00 1.00 H new ATOM 0 HA ASP A 8 22.325 -11.200 -2.914 1.00 1.00 H new ATOM 0 HB2 ASP A 8 22.020 -9.613 -0.736 1.00 1.00 H new ATOM 0 HB3 ASP A 8 23.692 -9.231 -1.097 1.00 1.00 H new ATOM 108 N ASN A 9 24.614 -11.661 -3.731 1.00 1.00 N ATOM 109 CA ASN A 9 25.956 -11.864 -4.265 1.00 1.00 C ATOM 110 C ASN A 9 26.338 -10.725 -5.203 1.00 1.00 C ATOM 111 O ASN A 9 27.343 -10.799 -5.909 1.00 1.00 O ATOM 112 CB ASN A 9 26.022 -13.194 -5.020 1.00 1.00 C ATOM 113 CG ASN A 9 25.271 -13.080 -6.343 1.00 1.00 C ATOM 114 OD1 ASN A 9 24.195 -12.483 -6.397 1.00 1.00 O ATOM 115 ND2 ASN A 9 25.776 -13.619 -7.418 1.00 1.00 N ATOM 0 H ASN A 9 23.860 -11.900 -4.374 1.00 1.00 H new ATOM 0 HA ASN A 9 26.659 -11.884 -3.432 1.00 1.00 H new ATOM 0 HB2 ASN A 9 27.061 -13.466 -5.204 1.00 1.00 H new ATOM 0 HB3 ASN A 9 25.588 -13.988 -4.413 1.00 1.00 H new ATOM 0 HD21 ASN A 9 25.280 -13.547 -8.306 1.00 1.00 H new ATOM 0 HD22 ASN A 9 26.667 -14.113 -7.371 1.00 1.00 H new ATOM 122 N TYR A 10 25.528 -9.670 -5.205 1.00 1.00 N ATOM 123 CA TYR A 10 25.790 -8.519 -6.062 1.00 1.00 C ATOM 124 C TYR A 10 25.608 -8.889 -7.530 1.00 1.00 C ATOM 125 O TYR A 10 24.700 -8.391 -8.196 1.00 1.00 O ATOM 126 CB TYR A 10 27.216 -8.011 -5.834 1.00 1.00 C ATOM 127 CG TYR A 10 27.587 -8.190 -4.382 1.00 1.00 C ATOM 128 CD1 TYR A 10 26.935 -7.439 -3.397 1.00 1.00 C ATOM 129 CD2 TYR A 10 28.584 -9.105 -4.018 1.00 1.00 C ATOM 130 CE1 TYR A 10 27.277 -7.603 -2.049 1.00 1.00 C ATOM 131 CE2 TYR A 10 28.926 -9.268 -2.670 1.00 1.00 C ATOM 132 CZ TYR A 10 28.273 -8.517 -1.686 1.00 1.00 C ATOM 133 OH TYR A 10 28.610 -8.678 -0.358 1.00 1.00 O ATOM 0 H TYR A 10 24.691 -9.589 -4.627 1.00 1.00 H new ATOM 0 HA TYR A 10 25.079 -7.733 -5.808 1.00 1.00 H new ATOM 0 HB2 TYR A 10 27.914 -8.557 -6.469 1.00 1.00 H new ATOM 0 HB3 TYR A 10 27.288 -6.959 -6.112 1.00 1.00 H new ATOM 0 HD1 TYR A 10 26.168 -6.733 -3.677 1.00 1.00 H new ATOM 0 HD2 TYR A 10 29.089 -9.684 -4.777 1.00 1.00 H new ATOM 0 HE1 TYR A 10 26.772 -7.024 -1.290 1.00 1.00 H new ATOM 0 HE2 TYR A 10 29.694 -9.974 -2.390 1.00 1.00 H new ATOM 0 HH TYR A 10 29.318 -9.351 -0.279 1.00 1.00 H new ATOM 143 N TYR A 11 26.476 -9.765 -8.027 1.00 1.00 N ATOM 144 CA TYR A 11 26.404 -10.196 -9.419 1.00 1.00 C ATOM 145 C TYR A 11 26.463 -8.994 -10.356 1.00 1.00 C ATOM 146 O TYR A 11 26.195 -7.864 -9.949 1.00 1.00 O ATOM 147 CB TYR A 11 25.110 -10.974 -9.662 1.00 1.00 C ATOM 148 CG TYR A 11 24.759 -10.923 -11.130 1.00 1.00 C ATOM 149 CD1 TYR A 11 24.000 -9.860 -11.631 1.00 1.00 C ATOM 150 CD2 TYR A 11 25.195 -11.939 -11.989 1.00 1.00 C ATOM 151 CE1 TYR A 11 23.674 -9.812 -12.993 1.00 1.00 C ATOM 152 CE2 TYR A 11 24.869 -11.891 -13.351 1.00 1.00 C ATOM 153 CZ TYR A 11 24.110 -10.828 -13.852 1.00 1.00 C ATOM 154 OH TYR A 11 23.789 -10.780 -15.193 1.00 1.00 O ATOM 0 H TYR A 11 27.233 -10.188 -7.490 1.00 1.00 H new ATOM 0 HA TYR A 11 27.257 -10.843 -9.623 1.00 1.00 H new ATOM 0 HB2 TYR A 11 25.230 -12.009 -9.342 1.00 1.00 H new ATOM 0 HB3 TYR A 11 24.301 -10.549 -9.069 1.00 1.00 H new ATOM 0 HD1 TYR A 11 23.665 -9.076 -10.968 1.00 1.00 H new ATOM 0 HD2 TYR A 11 25.782 -12.759 -11.602 1.00 1.00 H new ATOM 0 HE1 TYR A 11 23.087 -8.992 -13.380 1.00 1.00 H new ATOM 0 HE2 TYR A 11 25.204 -12.675 -14.014 1.00 1.00 H new ATOM 0 HH TYR A 11 24.169 -11.560 -15.649 1.00 1.00 H new ATOM 164 N GLY A 12 26.819 -9.245 -11.612 1.00 1.00 N ATOM 165 CA GLY A 12 26.913 -8.175 -12.599 1.00 1.00 C ATOM 166 C GLY A 12 27.546 -6.931 -11.988 1.00 1.00 C ATOM 167 O GLY A 12 27.295 -5.811 -12.433 1.00 1.00 O ATOM 0 H GLY A 12 27.046 -10.173 -11.969 1.00 1.00 H new ATOM 0 HA2 GLY A 12 27.506 -8.510 -13.450 1.00 1.00 H new ATOM 0 HA3 GLY A 12 25.920 -7.935 -12.978 1.00 1.00 H new ATOM 171 N ALA A 13 28.366 -7.138 -10.965 1.00 1.00 N ATOM 172 CA ALA A 13 29.032 -6.029 -10.294 1.00 1.00 C ATOM 173 C ALA A 13 29.977 -5.311 -11.253 1.00 1.00 C ATOM 174 O ALA A 13 30.244 -4.120 -11.101 1.00 1.00 O ATOM 175 CB ALA A 13 29.821 -6.547 -9.089 1.00 1.00 C ATOM 0 H ALA A 13 28.585 -8.058 -10.584 1.00 1.00 H new ATOM 0 HA ALA A 13 28.272 -5.324 -9.956 1.00 1.00 H new ATOM 0 HB1 ALA A 13 30.316 -5.713 -8.592 1.00 1.00 H new ATOM 0 HB2 ALA A 13 29.140 -7.033 -8.390 1.00 1.00 H new ATOM 0 HB3 ALA A 13 30.569 -7.265 -9.425 1.00 1.00 H new ATOM 181 N ASP A 14 30.478 -6.046 -12.242 1.00 1.00 N ATOM 182 CA ASP A 14 31.392 -5.469 -13.221 1.00 1.00 C ATOM 183 C ASP A 14 30.739 -4.289 -13.933 1.00 1.00 C ATOM 184 O ASP A 14 31.392 -3.571 -14.690 1.00 1.00 O ATOM 185 CB ASP A 14 31.793 -6.529 -14.248 1.00 1.00 C ATOM 186 CG ASP A 14 33.017 -6.064 -15.028 1.00 1.00 C ATOM 187 OD1 ASP A 14 32.837 -5.422 -16.049 1.00 1.00 O ATOM 188 OD2 ASP A 14 34.118 -6.358 -14.593 1.00 1.00 O ATOM 0 H ASP A 14 30.268 -7.034 -12.386 1.00 1.00 H new ATOM 0 HA ASP A 14 32.281 -5.116 -12.698 1.00 1.00 H new ATOM 0 HB2 ASP A 14 32.009 -7.471 -13.745 1.00 1.00 H new ATOM 0 HB3 ASP A 14 30.965 -6.716 -14.932 1.00 1.00 H new ATOM 193 N ASN A 15 29.449 -4.094 -13.682 1.00 1.00 N ATOM 194 CA ASN A 15 28.717 -2.997 -14.306 1.00 1.00 C ATOM 195 C ASN A 15 29.241 -1.653 -13.808 1.00 1.00 C ATOM 196 O ASN A 15 29.358 -0.699 -14.576 1.00 1.00 O ATOM 197 CB ASN A 15 27.226 -3.115 -13.985 1.00 1.00 C ATOM 198 CG ASN A 15 26.426 -2.166 -14.870 1.00 1.00 C ATOM 199 OD1 ASN A 15 26.804 -1.006 -15.039 1.00 1.00 O ATOM 200 ND2 ASN A 15 25.334 -2.590 -15.445 1.00 1.00 N ATOM 0 H ASN A 15 28.892 -4.676 -13.056 1.00 1.00 H new ATOM 0 HA ASN A 15 28.862 -3.055 -15.385 1.00 1.00 H new ATOM 0 HB2 ASN A 15 26.892 -4.141 -14.142 1.00 1.00 H new ATOM 0 HB3 ASN A 15 27.052 -2.880 -12.935 1.00 1.00 H new ATOM 0 HD21 ASN A 15 24.791 -1.960 -16.036 1.00 1.00 H new ATOM 0 HD22 ASN A 15 25.023 -3.551 -15.303 1.00 1.00 H new ATOM 207 N GLN A 16 29.554 -1.586 -12.519 1.00 1.00 N ATOM 208 CA GLN A 16 30.065 -0.354 -11.929 1.00 1.00 C ATOM 209 C GLN A 16 31.582 -0.416 -11.786 1.00 1.00 C ATOM 210 O GLN A 16 32.137 0.003 -10.771 1.00 1.00 O ATOM 211 CB GLN A 16 29.429 -0.129 -10.556 1.00 1.00 C ATOM 212 CG GLN A 16 27.909 -0.244 -10.671 1.00 1.00 C ATOM 213 CD GLN A 16 27.255 0.123 -9.344 1.00 1.00 C ATOM 214 OE1 GLN A 16 27.925 0.164 -8.312 1.00 1.00 O ATOM 215 NE2 GLN A 16 25.979 0.396 -9.308 1.00 1.00 N ATOM 0 H GLN A 16 29.464 -2.364 -11.866 1.00 1.00 H new ATOM 0 HA GLN A 16 29.808 0.475 -12.588 1.00 1.00 H new ATOM 0 HB2 GLN A 16 29.807 -0.863 -9.844 1.00 1.00 H new ATOM 0 HB3 GLN A 16 29.702 0.855 -10.174 1.00 1.00 H new ATOM 0 HG2 GLN A 16 27.545 0.415 -11.459 1.00 1.00 H new ATOM 0 HG3 GLN A 16 27.633 -1.260 -10.953 1.00 1.00 H new ATOM 0 HE21 GLN A 16 25.426 0.361 -10.164 1.00 1.00 H new ATOM 0 HE22 GLN A 16 25.535 0.644 -8.424 1.00 1.00 H new ATOM 224 N SER A 17 32.247 -0.942 -12.810 1.00 1.00 N ATOM 225 CA SER A 17 33.701 -1.054 -12.788 1.00 1.00 C ATOM 226 C SER A 17 34.343 0.172 -13.428 1.00 1.00 C ATOM 227 O SER A 17 33.700 1.210 -13.586 1.00 1.00 O ATOM 228 CB SER A 17 34.138 -2.312 -13.538 1.00 1.00 C ATOM 229 OG SER A 17 35.468 -2.646 -13.159 1.00 1.00 O ATOM 0 H SER A 17 31.806 -1.295 -13.659 1.00 1.00 H new ATOM 0 HA SER A 17 34.026 -1.119 -11.750 1.00 1.00 H new ATOM 0 HB2 SER A 17 33.464 -3.138 -13.310 1.00 1.00 H new ATOM 0 HB3 SER A 17 34.085 -2.145 -14.614 1.00 1.00 H new ATOM 0 HG SER A 17 35.683 -2.215 -12.306 1.00 1.00 H new ATOM 235 N GLU A 18 35.615 0.046 -13.792 1.00 1.00 N ATOM 236 CA GLU A 18 36.335 1.150 -14.411 1.00 1.00 C ATOM 237 C GLU A 18 35.834 1.390 -15.832 1.00 1.00 C ATOM 238 O GLU A 18 36.619 1.648 -16.743 1.00 1.00 O ATOM 239 CB GLU A 18 37.832 0.843 -14.444 1.00 1.00 C ATOM 240 CG GLU A 18 38.069 -0.479 -15.177 1.00 1.00 C ATOM 241 CD GLU A 18 39.532 -0.888 -15.054 1.00 1.00 C ATOM 242 OE1 GLU A 18 39.940 -1.238 -13.959 1.00 1.00 O ATOM 243 OE2 GLU A 18 40.225 -0.847 -16.058 1.00 1.00 O ATOM 0 H GLU A 18 36.165 -0.804 -13.670 1.00 1.00 H new ATOM 0 HA GLU A 18 36.160 2.049 -13.819 1.00 1.00 H new ATOM 0 HB2 GLU A 18 38.368 1.649 -14.945 1.00 1.00 H new ATOM 0 HB3 GLU A 18 38.224 0.783 -13.429 1.00 1.00 H new ATOM 0 HG2 GLU A 18 37.429 -1.256 -14.759 1.00 1.00 H new ATOM 0 HG3 GLU A 18 37.799 -0.375 -16.228 1.00 1.00 H new ATOM 250 N CYS A 19 34.521 1.306 -16.010 1.00 1.00 N ATOM 251 CA CYS A 19 33.922 1.516 -17.323 1.00 1.00 C ATOM 252 C CYS A 19 34.018 2.984 -17.726 1.00 1.00 C ATOM 253 O CYS A 19 34.614 3.317 -18.752 1.00 1.00 O ATOM 254 CB CYS A 19 32.454 1.086 -17.303 1.00 1.00 C ATOM 255 SG CYS A 19 31.635 1.805 -15.857 1.00 1.00 S ATOM 0 H CYS A 19 33.854 1.095 -15.267 1.00 1.00 H new ATOM 0 HA CYS A 19 34.466 0.914 -18.050 1.00 1.00 H new ATOM 0 HB2 CYS A 19 31.956 1.412 -18.216 1.00 1.00 H new ATOM 0 HB3 CYS A 19 32.383 -0.001 -17.272 1.00 1.00 H new ATOM 0 HG CYS A 19 32.283 1.472 -14.781 1.00 1.00 H new ATOM 261 N GLU A 20 33.426 3.855 -16.913 1.00 1.00 N ATOM 262 CA GLU A 20 33.446 5.288 -17.190 1.00 1.00 C ATOM 263 C GLU A 20 33.943 6.064 -15.973 1.00 1.00 C ATOM 264 O GLU A 20 34.509 7.149 -16.107 1.00 1.00 O ATOM 265 CB GLU A 20 32.041 5.766 -17.563 1.00 1.00 C ATOM 266 CG GLU A 20 31.549 5.000 -18.791 1.00 1.00 C ATOM 267 CD GLU A 20 32.225 5.539 -20.048 1.00 1.00 C ATOM 268 OE1 GLU A 20 31.908 6.652 -20.435 1.00 1.00 O ATOM 269 OE2 GLU A 20 33.048 4.831 -20.604 1.00 1.00 O ATOM 0 H GLU A 20 32.929 3.595 -16.061 1.00 1.00 H new ATOM 0 HA GLU A 20 34.125 5.468 -18.023 1.00 1.00 H new ATOM 0 HB2 GLU A 20 31.359 5.610 -16.727 1.00 1.00 H new ATOM 0 HB3 GLU A 20 32.053 6.836 -17.770 1.00 1.00 H new ATOM 0 HG2 GLU A 20 31.766 3.938 -18.678 1.00 1.00 H new ATOM 0 HG3 GLU A 20 30.467 5.096 -18.880 1.00 1.00 H new ATOM 276 N TYR A 21 33.728 5.501 -14.789 1.00 1.00 N ATOM 277 CA TYR A 21 34.159 6.152 -13.556 1.00 1.00 C ATOM 278 C TYR A 21 35.677 6.078 -13.414 1.00 1.00 C ATOM 279 O TYR A 21 36.193 5.597 -12.405 1.00 1.00 O ATOM 280 CB TYR A 21 33.499 5.478 -12.351 1.00 1.00 C ATOM 281 CG TYR A 21 32.050 5.894 -12.274 1.00 1.00 C ATOM 282 CD1 TYR A 21 31.688 7.035 -11.548 1.00 1.00 C ATOM 283 CD2 TYR A 21 31.068 5.138 -12.926 1.00 1.00 C ATOM 284 CE1 TYR A 21 30.344 7.421 -11.474 1.00 1.00 C ATOM 285 CE2 TYR A 21 29.724 5.525 -12.853 1.00 1.00 C ATOM 286 CZ TYR A 21 29.362 6.665 -12.127 1.00 1.00 C ATOM 287 OH TYR A 21 28.038 7.046 -12.056 1.00 1.00 O ATOM 0 H TYR A 21 33.262 4.603 -14.656 1.00 1.00 H new ATOM 0 HA TYR A 21 33.859 7.199 -13.596 1.00 1.00 H new ATOM 0 HB2 TYR A 21 33.573 4.394 -12.441 1.00 1.00 H new ATOM 0 HB3 TYR A 21 34.018 5.758 -11.434 1.00 1.00 H new ATOM 0 HD1 TYR A 21 32.446 7.618 -11.045 1.00 1.00 H new ATOM 0 HD2 TYR A 21 31.347 4.257 -13.485 1.00 1.00 H new ATOM 0 HE1 TYR A 21 30.065 8.301 -10.914 1.00 1.00 H new ATOM 0 HE2 TYR A 21 28.967 4.943 -13.357 1.00 1.00 H new ATOM 0 HH TYR A 21 27.488 6.414 -12.565 1.00 1.00 H new ATOM 297 N THR A 22 36.385 6.558 -14.431 1.00 1.00 N ATOM 298 CA THR A 22 37.843 6.541 -14.409 1.00 1.00 C ATOM 299 C THR A 22 38.403 7.814 -15.038 1.00 1.00 C ATOM 300 O THR A 22 39.275 8.468 -14.466 1.00 1.00 O ATOM 301 CB THR A 22 38.363 5.321 -15.171 1.00 1.00 C ATOM 302 OG1 THR A 22 39.294 5.743 -16.158 1.00 1.00 O ATOM 303 CG2 THR A 22 37.195 4.599 -15.842 1.00 1.00 C ATOM 0 H THR A 22 35.977 6.961 -15.275 1.00 1.00 H new ATOM 0 HA THR A 22 38.172 6.487 -13.371 1.00 1.00 H new ATOM 0 HB THR A 22 38.854 4.640 -14.476 1.00 1.00 H new ATOM 0 HG1 THR A 22 39.630 4.962 -16.646 1.00 1.00 H new ATOM 0 HG21 THR A 22 37.568 3.730 -16.384 1.00 1.00 H new ATOM 0 HG22 THR A 22 36.483 4.275 -15.083 1.00 1.00 H new ATOM 0 HG23 THR A 22 36.700 5.276 -16.538 1.00 1.00 H new ATOM 311 N ASP A 23 37.896 8.156 -16.217 1.00 1.00 N ATOM 312 CA ASP A 23 38.353 9.353 -16.915 1.00 1.00 C ATOM 313 C ASP A 23 37.972 10.606 -16.135 1.00 1.00 C ATOM 314 O ASP A 23 38.839 11.356 -15.683 1.00 1.00 O ATOM 315 CB ASP A 23 37.734 9.412 -18.313 1.00 1.00 C ATOM 316 CG ASP A 23 38.734 8.905 -19.347 1.00 1.00 C ATOM 317 OD1 ASP A 23 39.596 9.676 -19.735 1.00 1.00 O ATOM 318 OD2 ASP A 23 38.623 7.754 -19.736 1.00 1.00 O ATOM 0 H ASP A 23 37.174 7.627 -16.707 1.00 1.00 H new ATOM 0 HA ASP A 23 39.439 9.308 -17.001 1.00 1.00 H new ATOM 0 HB2 ASP A 23 36.828 8.807 -18.344 1.00 1.00 H new ATOM 0 HB3 ASP A 23 37.443 10.436 -18.548 1.00 1.00 H new ATOM 323 N TRP A 24 36.672 10.828 -15.978 1.00 1.00 N ATOM 324 CA TRP A 24 36.189 11.995 -15.250 1.00 1.00 C ATOM 325 C TRP A 24 36.710 11.985 -13.816 1.00 1.00 C ATOM 326 O TRP A 24 36.734 13.017 -13.147 1.00 1.00 O ATOM 327 CB TRP A 24 34.658 12.007 -15.238 1.00 1.00 C ATOM 328 CG TRP A 24 34.164 11.203 -14.078 1.00 1.00 C ATOM 329 CD1 TRP A 24 33.801 9.900 -14.135 1.00 1.00 C ATOM 330 CD2 TRP A 24 33.971 11.623 -12.696 1.00 1.00 C ATOM 331 NE1 TRP A 24 33.399 9.494 -12.875 1.00 1.00 N ATOM 332 CE2 TRP A 24 33.486 10.519 -11.954 1.00 1.00 C ATOM 333 CE3 TRP A 24 34.169 12.840 -12.021 1.00 1.00 C ATOM 334 CZ2 TRP A 24 33.205 10.621 -10.591 1.00 1.00 C ATOM 335 CZ3 TRP A 24 33.890 12.946 -10.648 1.00 1.00 C ATOM 336 CH2 TRP A 24 33.409 11.839 -9.936 1.00 1.00 C ATOM 0 H TRP A 24 35.938 10.220 -16.342 1.00 1.00 H new ATOM 0 HA TRP A 24 36.555 12.890 -15.752 1.00 1.00 H new ATOM 0 HB2 TRP A 24 34.292 13.031 -15.167 1.00 1.00 H new ATOM 0 HB3 TRP A 24 34.273 11.595 -16.171 1.00 1.00 H new ATOM 0 HD1 TRP A 24 33.822 9.280 -15.019 1.00 1.00 H new ATOM 0 HE1 TRP A 24 33.077 8.552 -12.653 1.00 1.00 H new ATOM 0 HE3 TRP A 24 34.538 13.699 -12.561 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 32.833 9.766 -10.046 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 34.047 13.885 -10.139 1.00 1.00 H new ATOM 0 HH2 TRP A 24 33.196 11.927 -8.881 1.00 1.00 H new ATOM 347 N LYS A 25 37.125 10.811 -13.352 1.00 1.00 N ATOM 348 CA LYS A 25 37.644 10.677 -11.995 1.00 1.00 C ATOM 349 C LYS A 25 38.551 11.853 -11.650 1.00 1.00 C ATOM 350 O LYS A 25 39.496 12.157 -12.377 1.00 1.00 O ATOM 351 CB LYS A 25 38.428 9.369 -11.864 1.00 1.00 C ATOM 352 CG LYS A 25 38.609 9.029 -10.383 1.00 1.00 C ATOM 353 CD LYS A 25 39.334 7.689 -10.251 1.00 1.00 C ATOM 354 CE LYS A 25 38.314 6.579 -9.989 1.00 1.00 C ATOM 355 NZ LYS A 25 38.949 5.254 -10.231 1.00 1.00 N ATOM 0 H LYS A 25 37.113 9.945 -13.890 1.00 1.00 H new ATOM 0 HA LYS A 25 36.802 10.667 -11.302 1.00 1.00 H new ATOM 0 HB2 LYS A 25 37.898 8.563 -12.371 1.00 1.00 H new ATOM 0 HB3 LYS A 25 39.400 9.465 -12.348 1.00 1.00 H new ATOM 0 HG2 LYS A 25 39.180 9.814 -9.886 1.00 1.00 H new ATOM 0 HG3 LYS A 25 37.638 8.979 -9.889 1.00 1.00 H new ATOM 0 HD2 LYS A 25 39.894 7.475 -11.162 1.00 1.00 H new ATOM 0 HD3 LYS A 25 40.056 7.733 -9.436 1.00 1.00 H new ATOM 0 HE2 LYS A 25 37.951 6.638 -8.963 1.00 1.00 H new ATOM 0 HE3 LYS A 25 37.449 6.704 -10.640 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 38.256 4.499 -10.053 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 39.274 5.200 -11.217 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 39.761 5.136 -9.592 1.00 1.00 H new ATOM 369 N SER A 26 38.257 12.512 -10.534 1.00 1.00 N ATOM 370 CA SER A 26 39.053 13.654 -10.099 1.00 1.00 C ATOM 371 C SER A 26 40.402 13.192 -9.557 1.00 1.00 C ATOM 372 O SER A 26 41.434 13.368 -10.204 1.00 1.00 O ATOM 373 CB SER A 26 38.301 14.429 -9.017 1.00 1.00 C ATOM 374 OG SER A 26 37.417 15.357 -9.633 1.00 1.00 O ATOM 0 H SER A 26 37.479 12.277 -9.918 1.00 1.00 H new ATOM 0 HA SER A 26 39.225 14.304 -10.957 1.00 1.00 H new ATOM 0 HB2 SER A 26 37.741 13.741 -8.383 1.00 1.00 H new ATOM 0 HB3 SER A 26 39.006 14.954 -8.372 1.00 1.00 H new ATOM 0 HG SER A 26 36.547 14.931 -9.782 1.00 1.00 H new ATOM 380 N SER A 27 40.386 12.600 -8.367 1.00 1.00 N ATOM 381 CA SER A 27 41.616 12.115 -7.750 1.00 1.00 C ATOM 382 C SER A 27 42.422 13.277 -7.179 1.00 1.00 C ATOM 383 O SER A 27 43.314 13.079 -6.354 1.00 1.00 O ATOM 384 CB SER A 27 42.457 11.367 -8.783 1.00 1.00 C ATOM 385 OG SER A 27 41.604 10.830 -9.785 1.00 1.00 O ATOM 0 H SER A 27 39.543 12.445 -7.814 1.00 1.00 H new ATOM 0 HA SER A 27 41.352 11.437 -6.938 1.00 1.00 H new ATOM 0 HB2 SER A 27 43.185 12.042 -9.233 1.00 1.00 H new ATOM 0 HB3 SER A 27 43.019 10.567 -8.301 1.00 1.00 H new ATOM 0 HG SER A 27 42.142 10.351 -10.450 1.00 1.00 H new ATOM 391 N GLY A 28 42.101 14.487 -7.624 1.00 1.00 N ATOM 392 CA GLY A 28 42.801 15.677 -7.151 1.00 1.00 C ATOM 393 C GLY A 28 41.815 16.795 -6.833 1.00 1.00 C ATOM 394 O GLY A 28 42.214 17.899 -6.459 1.00 1.00 O ATOM 0 H GLY A 28 41.366 14.670 -8.307 1.00 1.00 H new ATOM 0 HA2 GLY A 28 43.381 15.433 -6.261 1.00 1.00 H new ATOM 0 HA3 GLY A 28 43.508 16.014 -7.909 1.00 1.00 H new ATOM 398 N ALA A 29 40.527 16.499 -6.985 1.00 1.00 N ATOM 399 CA ALA A 29 39.484 17.484 -6.714 1.00 1.00 C ATOM 400 C ALA A 29 38.423 16.902 -5.784 1.00 1.00 C ATOM 401 O ALA A 29 37.521 17.611 -5.340 1.00 1.00 O ATOM 402 CB ALA A 29 38.829 17.924 -8.024 1.00 1.00 C ATOM 0 H ALA A 29 40.182 15.590 -7.293 1.00 1.00 H new ATOM 0 HA ALA A 29 39.943 18.345 -6.229 1.00 1.00 H new ATOM 0 HB1 ALA A 29 38.052 18.659 -7.813 1.00 1.00 H new ATOM 0 HB2 ALA A 29 39.581 18.368 -8.676 1.00 1.00 H new ATOM 0 HB3 ALA A 29 38.386 17.059 -8.518 1.00 1.00 H new ATOM 408 N LEU A 30 38.542 15.608 -5.495 1.00 1.00 N ATOM 409 CA LEU A 30 37.590 14.935 -4.617 1.00 1.00 C ATOM 410 C LEU A 30 38.258 14.555 -3.300 1.00 1.00 C ATOM 411 O LEU A 30 37.590 14.170 -2.341 1.00 1.00 O ATOM 412 CB LEU A 30 37.053 13.674 -5.300 1.00 1.00 C ATOM 413 CG LEU A 30 35.661 13.941 -5.886 1.00 1.00 C ATOM 414 CD1 LEU A 30 34.645 14.147 -4.758 1.00 1.00 C ATOM 415 CD2 LEU A 30 35.708 15.194 -6.765 1.00 1.00 C ATOM 0 H LEU A 30 39.284 15.008 -5.854 1.00 1.00 H new ATOM 0 HA LEU A 30 36.765 15.617 -4.412 1.00 1.00 H new ATOM 0 HB2 LEU A 30 37.735 13.362 -6.091 1.00 1.00 H new ATOM 0 HB3 LEU A 30 37.002 12.856 -4.581 1.00 1.00 H new ATOM 0 HG LEU A 30 35.358 13.083 -6.486 1.00 1.00 H new ATOM 0 HD11 LEU A 30 33.660 14.336 -5.185 1.00 1.00 H new ATOM 0 HD12 LEU A 30 34.605 13.253 -4.136 1.00 1.00 H new ATOM 0 HD13 LEU A 30 34.946 14.999 -4.149 1.00 1.00 H new ATOM 0 HD21 LEU A 30 34.719 15.384 -7.181 1.00 1.00 H new ATOM 0 HD22 LEU A 30 36.019 16.049 -6.164 1.00 1.00 H new ATOM 0 HD23 LEU A 30 36.420 15.043 -7.576 1.00 1.00 H new ATOM 427 N ILE A 31 39.583 14.665 -3.263 1.00 1.00 N ATOM 428 CA ILE A 31 40.335 14.330 -2.061 1.00 1.00 C ATOM 429 C ILE A 31 40.495 15.546 -1.145 1.00 1.00 C ATOM 430 O ILE A 31 40.416 15.417 0.076 1.00 1.00 O ATOM 431 CB ILE A 31 41.718 13.787 -2.432 1.00 1.00 C ATOM 432 CG1 ILE A 31 41.714 13.286 -3.884 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.084 12.635 -1.493 1.00 1.00 C ATOM 434 CD1 ILE A 31 40.585 12.271 -4.096 1.00 1.00 C ATOM 0 H ILE A 31 40.154 14.982 -4.047 1.00 1.00 H new ATOM 0 HA ILE A 31 39.773 13.565 -1.525 1.00 1.00 H new ATOM 0 HB ILE A 31 42.453 14.586 -2.333 1.00 1.00 H new ATOM 0 HG12 ILE A 31 41.588 14.127 -4.565 1.00 1.00 H new ATOM 0 HG13 ILE A 31 42.674 12.826 -4.119 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.068 12.249 -1.757 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.100 12.995 -0.464 1.00 1.00 H new ATOM 0 HG23 ILE A 31 41.345 11.840 -1.588 1.00 1.00 H new ATOM 0 HD11 ILE A 31 40.596 11.926 -5.130 1.00 1.00 H new ATOM 0 HD12 ILE A 31 40.729 11.422 -3.428 1.00 1.00 H new ATOM 0 HD13 ILE A 31 39.626 12.743 -3.881 1.00 1.00 H new ATOM 446 N PRO A 32 40.717 16.717 -1.696 1.00 1.00 N ATOM 447 CA PRO A 32 40.889 17.951 -0.890 1.00 1.00 C ATOM 448 C PRO A 32 39.548 18.558 -0.485 1.00 1.00 C ATOM 449 O PRO A 32 39.436 19.768 -0.283 1.00 1.00 O ATOM 450 CB PRO A 32 41.671 18.888 -1.812 1.00 1.00 C ATOM 451 CG PRO A 32 41.454 18.393 -3.211 1.00 1.00 C ATOM 452 CD PRO A 32 40.827 16.996 -3.133 1.00 1.00 C ATOM 0 HA PRO A 32 41.405 17.760 0.051 1.00 1.00 H new ATOM 0 HB2 PRO A 32 41.322 19.915 -1.706 1.00 1.00 H new ATOM 0 HB3 PRO A 32 42.731 18.884 -1.560 1.00 1.00 H new ATOM 0 HG2 PRO A 32 40.801 19.073 -3.758 1.00 1.00 H new ATOM 0 HG3 PRO A 32 42.400 18.356 -3.752 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.851 16.973 -3.617 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.449 16.254 -3.634 1.00 1.00 H new ATOM 460 N ALA A 33 38.537 17.705 -0.364 1.00 1.00 N ATOM 461 CA ALA A 33 37.206 18.155 0.024 1.00 1.00 C ATOM 462 C ALA A 33 36.543 17.124 0.929 1.00 1.00 C ATOM 463 O ALA A 33 36.051 17.455 2.008 1.00 1.00 O ATOM 464 CB ALA A 33 36.343 18.376 -1.220 1.00 1.00 C ATOM 0 H ALA A 33 38.613 16.701 -0.528 1.00 1.00 H new ATOM 0 HA ALA A 33 37.302 19.095 0.567 1.00 1.00 H new ATOM 0 HB1 ALA A 33 35.351 18.712 -0.919 1.00 1.00 H new ATOM 0 HB2 ALA A 33 36.806 19.132 -1.854 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.257 17.441 -1.774 1.00 1.00 H new ATOM 470 N ILE A 34 36.539 15.871 0.485 1.00 1.00 N ATOM 471 CA ILE A 34 35.939 14.796 1.266 1.00 1.00 C ATOM 472 C ILE A 34 36.781 14.504 2.502 1.00 1.00 C ATOM 473 O ILE A 34 36.299 14.597 3.630 1.00 1.00 O ATOM 474 CB ILE A 34 35.826 13.529 0.414 1.00 1.00 C ATOM 475 CG1 ILE A 34 34.630 13.659 -0.533 1.00 1.00 C ATOM 476 CG2 ILE A 34 35.626 12.318 1.327 1.00 1.00 C ATOM 477 CD1 ILE A 34 34.684 12.544 -1.580 1.00 1.00 C ATOM 0 H ILE A 34 36.941 15.577 -0.405 1.00 1.00 H new ATOM 0 HA ILE A 34 34.944 15.111 1.580 1.00 1.00 H new ATOM 0 HB ILE A 34 36.738 13.397 -0.168 1.00 1.00 H new ATOM 0 HG12 ILE A 34 33.699 13.599 0.030 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.644 14.633 -1.022 1.00 1.00 H new ATOM 0 HG21 ILE A 34 35.545 11.415 0.722 1.00 1.00 H new ATOM 0 HG22 ILE A 34 36.477 12.227 2.002 1.00 1.00 H new ATOM 0 HG23 ILE A 34 34.713 12.448 1.909 1.00 1.00 H new ATOM 0 HD11 ILE A 34 33.833 12.636 -2.254 1.00 1.00 H new ATOM 0 HD12 ILE A 34 35.609 12.625 -2.151 1.00 1.00 H new ATOM 0 HD13 ILE A 34 34.649 11.575 -1.082 1.00 1.00 H new ATOM 489 N TYR A 35 38.044 14.152 2.280 1.00 1.00 N ATOM 490 CA TYR A 35 38.947 13.850 3.384 1.00 1.00 C ATOM 491 C TYR A 35 38.899 14.960 4.429 1.00 1.00 C ATOM 492 O TYR A 35 39.214 14.741 5.598 1.00 1.00 O ATOM 493 CB TYR A 35 40.377 13.697 2.863 1.00 1.00 C ATOM 494 CG TYR A 35 41.250 14.771 3.464 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.138 16.095 3.022 1.00 1.00 C ATOM 496 CD2 TYR A 35 42.174 14.444 4.465 1.00 1.00 C ATOM 497 CE1 TYR A 35 41.948 17.091 3.581 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.985 15.440 5.022 1.00 1.00 C ATOM 499 CZ TYR A 35 42.871 16.764 4.580 1.00 1.00 C ATOM 500 OH TYR A 35 43.670 17.745 5.131 1.00 1.00 O ATOM 0 H TYR A 35 38.462 14.069 1.353 1.00 1.00 H new ATOM 0 HA TYR A 35 38.629 12.915 3.846 1.00 1.00 H new ATOM 0 HB2 TYR A 35 40.765 12.712 3.120 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.389 13.770 1.776 1.00 1.00 H new ATOM 0 HD1 TYR A 35 40.427 16.348 2.250 1.00 1.00 H new ATOM 0 HD2 TYR A 35 42.261 13.423 4.807 1.00 1.00 H new ATOM 0 HE1 TYR A 35 41.860 18.112 3.241 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.698 15.187 5.792 1.00 1.00 H new ATOM 0 HH TYR A 35 44.253 17.348 5.811 1.00 1.00 H new ATOM 510 N MET A 36 38.502 16.153 3.996 1.00 1.00 N ATOM 511 CA MET A 36 38.416 17.294 4.902 1.00 1.00 C ATOM 512 C MET A 36 37.034 17.363 5.544 1.00 1.00 C ATOM 513 O MET A 36 36.911 17.577 6.750 1.00 1.00 O ATOM 514 CB MET A 36 38.691 18.589 4.136 1.00 1.00 C ATOM 515 CG MET A 36 38.966 19.719 5.129 1.00 1.00 C ATOM 516 SD MET A 36 38.215 21.251 4.524 1.00 1.00 S ATOM 517 CE MET A 36 39.365 21.543 3.158 1.00 1.00 C ATOM 0 H MET A 36 38.237 16.354 3.032 1.00 1.00 H new ATOM 0 HA MET A 36 39.163 17.171 5.686 1.00 1.00 H new ATOM 0 HB2 MET A 36 39.546 18.457 3.472 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.836 18.842 3.509 1.00 1.00 H new ATOM 0 HG2 MET A 36 38.560 19.464 6.108 1.00 1.00 H new ATOM 0 HG3 MET A 36 40.040 19.853 5.255 1.00 1.00 H new ATOM 0 HE1 MET A 36 39.197 22.539 2.748 1.00 1.00 H new ATOM 0 HE2 MET A 36 40.389 21.469 3.523 1.00 1.00 H new ATOM 0 HE3 MET A 36 39.202 20.798 2.380 1.00 1.00 H new ATOM 527 N LEU A 37 35.998 17.183 4.731 1.00 1.00 N ATOM 528 CA LEU A 37 34.630 17.228 5.235 1.00 1.00 C ATOM 529 C LEU A 37 34.450 16.233 6.378 1.00 1.00 C ATOM 530 O LEU A 37 33.485 16.314 7.137 1.00 1.00 O ATOM 531 CB LEU A 37 33.645 16.898 4.110 1.00 1.00 C ATOM 532 CG LEU A 37 33.408 18.142 3.251 1.00 1.00 C ATOM 533 CD1 LEU A 37 33.004 17.718 1.839 1.00 1.00 C ATOM 534 CD2 LEU A 37 32.286 18.984 3.867 1.00 1.00 C ATOM 0 H LEU A 37 36.078 17.006 3.730 1.00 1.00 H new ATOM 0 HA LEU A 37 34.432 18.234 5.606 1.00 1.00 H new ATOM 0 HB2 LEU A 37 34.038 16.089 3.495 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.702 16.549 4.530 1.00 1.00 H new ATOM 0 HG LEU A 37 34.324 18.731 3.208 1.00 1.00 H new ATOM 0 HD11 LEU A 37 32.835 18.604 1.227 1.00 1.00 H new ATOM 0 HD12 LEU A 37 33.800 17.118 1.397 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.088 17.129 1.884 1.00 1.00 H new ATOM 0 HD21 LEU A 37 32.118 19.870 3.255 1.00 1.00 H new ATOM 0 HD22 LEU A 37 31.371 18.394 3.911 1.00 1.00 H new ATOM 0 HD23 LEU A 37 32.570 19.288 4.874 1.00 1.00 H new ATOM 546 N VAL A 38 35.387 15.297 6.492 1.00 1.00 N ATOM 547 CA VAL A 38 35.324 14.291 7.546 1.00 1.00 C ATOM 548 C VAL A 38 36.291 14.635 8.674 1.00 1.00 C ATOM 549 O VAL A 38 36.290 13.992 9.724 1.00 1.00 O ATOM 550 CB VAL A 38 35.672 12.915 6.974 1.00 1.00 C ATOM 551 CG1 VAL A 38 35.619 11.868 8.088 1.00 1.00 C ATOM 552 CG2 VAL A 38 34.666 12.548 5.882 1.00 1.00 C ATOM 0 H VAL A 38 36.193 15.214 5.873 1.00 1.00 H new ATOM 0 HA VAL A 38 34.310 14.273 7.946 1.00 1.00 H new ATOM 0 HB VAL A 38 36.676 12.943 6.550 1.00 1.00 H new ATOM 0 HG11 VAL A 38 35.867 10.889 7.679 1.00 1.00 H new ATOM 0 HG12 VAL A 38 36.336 12.128 8.866 1.00 1.00 H new ATOM 0 HG13 VAL A 38 34.616 11.840 8.514 1.00 1.00 H new ATOM 0 HG21 VAL A 38 34.913 11.568 5.474 1.00 1.00 H new ATOM 0 HG22 VAL A 38 33.662 12.522 6.306 1.00 1.00 H new ATOM 0 HG23 VAL A 38 34.705 13.292 5.087 1.00 1.00 H new ATOM 562 N PHE A 39 37.117 15.652 8.449 1.00 1.00 N ATOM 563 CA PHE A 39 38.087 16.073 9.453 1.00 1.00 C ATOM 564 C PHE A 39 37.378 16.633 10.682 1.00 1.00 C ATOM 565 O PHE A 39 37.896 16.556 11.797 1.00 1.00 O ATOM 566 CB PHE A 39 39.015 17.139 8.868 1.00 1.00 C ATOM 567 CG PHE A 39 39.973 17.615 9.934 1.00 1.00 C ATOM 568 CD1 PHE A 39 41.003 16.775 10.373 1.00 1.00 C ATOM 569 CD2 PHE A 39 39.830 18.895 10.483 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.892 17.215 11.361 1.00 1.00 C ATOM 571 CE2 PHE A 39 40.719 19.335 11.471 1.00 1.00 C ATOM 572 CZ PHE A 39 41.750 18.495 11.910 1.00 1.00 C ATOM 0 H PHE A 39 37.134 16.196 7.587 1.00 1.00 H new ATOM 0 HA PHE A 39 38.674 15.204 9.750 1.00 1.00 H new ATOM 0 HB2 PHE A 39 39.569 16.730 8.023 1.00 1.00 H new ATOM 0 HB3 PHE A 39 38.430 17.977 8.490 1.00 1.00 H new ATOM 0 HD1 PHE A 39 41.112 15.787 9.950 1.00 1.00 H new ATOM 0 HD2 PHE A 39 39.035 19.542 10.145 1.00 1.00 H new ATOM 0 HE1 PHE A 39 42.687 16.567 11.700 1.00 1.00 H new ATOM 0 HE2 PHE A 39 40.610 20.322 11.895 1.00 1.00 H new ATOM 0 HZ PHE A 39 42.436 18.835 12.672 1.00 1.00 H new ATOM 582 N LEU A 40 36.191 17.194 10.469 1.00 1.00 N ATOM 583 CA LEU A 40 35.414 17.766 11.563 1.00 1.00 C ATOM 584 C LEU A 40 34.189 16.905 11.855 1.00 1.00 C ATOM 585 O LEU A 40 33.451 17.160 12.807 1.00 1.00 O ATOM 586 CB LEU A 40 34.967 19.184 11.201 1.00 1.00 C ATOM 587 CG LEU A 40 34.251 19.165 9.851 1.00 1.00 C ATOM 588 CD1 LEU A 40 32.914 19.899 9.971 1.00 1.00 C ATOM 589 CD2 LEU A 40 35.122 19.862 8.803 1.00 1.00 C ATOM 0 H LEU A 40 35.748 17.264 9.553 1.00 1.00 H new ATOM 0 HA LEU A 40 36.043 17.799 12.452 1.00 1.00 H new ATOM 0 HB2 LEU A 40 34.302 19.575 11.971 1.00 1.00 H new ATOM 0 HB3 LEU A 40 35.830 19.849 11.157 1.00 1.00 H new ATOM 0 HG LEU A 40 34.073 18.133 9.549 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.404 19.885 9.008 1.00 1.00 H new ATOM 0 HD12 LEU A 40 32.293 19.404 10.718 1.00 1.00 H new ATOM 0 HD13 LEU A 40 33.091 20.931 10.273 1.00 1.00 H new ATOM 0 HD21 LEU A 40 34.612 19.849 7.840 1.00 1.00 H new ATOM 0 HD22 LEU A 40 35.300 20.894 9.106 1.00 1.00 H new ATOM 0 HD23 LEU A 40 36.075 19.340 8.716 1.00 1.00 H new ATOM 601 N LEU A 41 33.978 15.886 11.027 1.00 1.00 N ATOM 602 CA LEU A 41 32.839 14.991 11.202 1.00 1.00 C ATOM 603 C LEU A 41 33.270 13.537 11.045 1.00 1.00 C ATOM 604 O LEU A 41 33.028 12.916 10.009 1.00 1.00 O ATOM 605 CB LEU A 41 31.758 15.318 10.170 1.00 1.00 C ATOM 606 CG LEU A 41 31.048 16.616 10.563 1.00 1.00 C ATOM 607 CD1 LEU A 41 30.851 17.486 9.320 1.00 1.00 C ATOM 608 CD2 LEU A 41 29.686 16.285 11.175 1.00 1.00 C ATOM 0 H LEU A 41 34.577 15.660 10.233 1.00 1.00 H new ATOM 0 HA LEU A 41 32.440 15.133 12.206 1.00 1.00 H new ATOM 0 HB2 LEU A 41 32.205 15.421 9.181 1.00 1.00 H new ATOM 0 HB3 LEU A 41 31.038 14.501 10.111 1.00 1.00 H new ATOM 0 HG LEU A 41 31.653 17.156 11.292 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.345 18.410 9.599 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.821 17.721 8.883 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.246 16.947 8.591 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.179 17.208 11.455 1.00 1.00 H new ATOM 0 HD22 LEU A 41 29.081 15.746 10.446 1.00 1.00 H new ATOM 0 HD23 LEU A 41 29.826 15.665 12.060 1.00 1.00 H new ATOM 620 N GLY A 42 33.910 12.999 12.078 1.00 1.00 N ATOM 621 CA GLY A 42 34.370 11.615 12.043 1.00 1.00 C ATOM 622 C GLY A 42 35.595 11.424 12.930 1.00 1.00 C ATOM 623 O GLY A 42 35.980 10.297 13.240 1.00 1.00 O ATOM 0 H GLY A 42 34.121 13.496 12.944 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.570 10.954 12.375 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.611 11.334 11.018 1.00 1.00 H new ATOM 627 N THR A 43 36.206 12.535 13.333 1.00 1.00 N ATOM 628 CA THR A 43 37.389 12.481 14.184 1.00 1.00 C ATOM 629 C THR A 43 37.284 13.501 15.313 1.00 1.00 C ATOM 630 O THR A 43 37.512 13.177 16.478 1.00 1.00 O ATOM 631 CB THR A 43 38.643 12.762 13.353 1.00 1.00 C ATOM 632 OG1 THR A 43 39.786 12.726 14.197 1.00 1.00 O ATOM 633 CG2 THR A 43 38.530 14.142 12.703 1.00 1.00 C ATOM 0 H THR A 43 35.903 13.477 13.086 1.00 1.00 H new ATOM 0 HA THR A 43 37.457 11.483 14.617 1.00 1.00 H new ATOM 0 HB THR A 43 38.740 12.005 12.575 1.00 1.00 H new ATOM 0 HG1 THR A 43 40.590 12.904 13.666 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.424 14.340 12.112 1.00 1.00 H new ATOM 0 HG22 THR A 43 37.654 14.169 12.056 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.432 14.902 13.478 1.00 1.00 H new ATOM 641 N THR A 44 36.935 14.734 14.960 1.00 1.00 N ATOM 642 CA THR A 44 36.800 15.792 15.954 1.00 1.00 C ATOM 643 C THR A 44 35.833 15.366 17.052 1.00 1.00 C ATOM 644 O THR A 44 35.943 15.803 18.198 1.00 1.00 O ATOM 645 CB THR A 44 36.289 17.072 15.286 1.00 1.00 C ATOM 646 OG1 THR A 44 37.380 17.760 14.690 1.00 1.00 O ATOM 647 CG2 THR A 44 35.628 17.971 16.332 1.00 1.00 C ATOM 0 H THR A 44 36.742 15.023 14.001 1.00 1.00 H new ATOM 0 HA THR A 44 37.777 15.981 16.398 1.00 1.00 H new ATOM 0 HB THR A 44 35.557 16.814 14.520 1.00 1.00 H new ATOM 0 HG1 THR A 44 37.621 17.323 13.846 1.00 1.00 H new ATOM 0 HG21 THR A 44 35.266 18.881 15.853 1.00 1.00 H new ATOM 0 HG22 THR A 44 34.791 17.443 16.789 1.00 1.00 H new ATOM 0 HG23 THR A 44 36.356 18.231 17.101 1.00 1.00 H new ATOM 655 N GLY A 45 34.887 14.504 16.692 1.00 1.00 N ATOM 656 CA GLY A 45 33.901 14.017 17.648 1.00 1.00 C ATOM 657 C GLY A 45 32.500 14.081 17.058 1.00 1.00 C ATOM 658 O GLY A 45 31.579 14.618 17.674 1.00 1.00 O ATOM 0 H GLY A 45 34.783 14.130 15.749 1.00 1.00 H new ATOM 0 HA2 GLY A 45 34.136 12.990 17.929 1.00 1.00 H new ATOM 0 HA3 GLY A 45 33.945 14.614 18.559 1.00 1.00 H new ATOM 662 N ASN A 46 32.350 13.528 15.862 1.00 1.00 N ATOM 663 CA ASN A 46 31.059 13.518 15.185 1.00 1.00 C ATOM 664 C ASN A 46 29.937 13.238 16.177 1.00 1.00 C ATOM 665 O ASN A 46 29.063 14.078 16.396 1.00 1.00 O ATOM 666 CB ASN A 46 31.060 12.446 14.099 1.00 1.00 C ATOM 667 CG ASN A 46 29.942 12.718 13.097 1.00 1.00 C ATOM 668 OD1 ASN A 46 29.096 13.684 13.326 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 29.837 12.032 12.080 1.00 1.00 N flip ATOM 0 H ASN A 46 33.104 13.081 15.341 1.00 1.00 H new ATOM 0 HA ASN A 46 30.892 14.497 14.736 1.00 1.00 H new ATOM 0 HB2 ASN A 46 32.023 12.435 13.588 1.00 1.00 H new ATOM 0 HB3 ASN A 46 30.926 11.462 14.548 1.00 1.00 H new ATOM 0 HD21 ASN A 46 30.500 11.277 11.903 1.00 1.00 H new ATOM 0 HD22 ASN A 46 29.087 12.219 11.414 1.00 1.00 H new ATOM 676 N GLY A 47 29.967 12.052 16.776 1.00 1.00 N ATOM 677 CA GLY A 47 28.946 11.671 17.743 1.00 1.00 C ATOM 678 C GLY A 47 29.537 10.792 18.840 1.00 1.00 C ATOM 679 O GLY A 47 28.892 9.857 19.314 1.00 1.00 O ATOM 0 H GLY A 47 30.682 11.343 16.610 1.00 1.00 H new ATOM 0 HA2 GLY A 47 28.506 12.565 18.185 1.00 1.00 H new ATOM 0 HA3 GLY A 47 28.142 11.137 17.237 1.00 1.00 H new ATOM 683 N LEU A 48 30.770 11.094 19.234 1.00 1.00 N ATOM 684 CA LEU A 48 31.445 10.326 20.272 1.00 1.00 C ATOM 685 C LEU A 48 31.453 11.096 21.589 1.00 1.00 C ATOM 686 O LEU A 48 31.763 10.537 22.643 1.00 1.00 O ATOM 687 CB LEU A 48 32.885 10.038 19.842 1.00 1.00 C ATOM 688 CG LEU A 48 32.932 8.799 18.939 1.00 1.00 C ATOM 689 CD1 LEU A 48 32.619 7.534 19.750 1.00 1.00 C ATOM 690 CD2 LEU A 48 31.907 8.942 17.812 1.00 1.00 C ATOM 0 H LEU A 48 31.320 11.863 18.851 1.00 1.00 H new ATOM 0 HA LEU A 48 30.908 9.388 20.417 1.00 1.00 H new ATOM 0 HB2 LEU A 48 33.293 10.899 19.312 1.00 1.00 H new ATOM 0 HB3 LEU A 48 33.510 9.880 20.721 1.00 1.00 H new ATOM 0 HG LEU A 48 33.934 8.714 18.518 1.00 1.00 H new ATOM 0 HD11 LEU A 48 32.656 6.663 19.095 1.00 1.00 H new ATOM 0 HD12 LEU A 48 33.355 7.421 20.546 1.00 1.00 H new ATOM 0 HD13 LEU A 48 31.623 7.618 20.185 1.00 1.00 H new ATOM 0 HD21 LEU A 48 31.944 8.060 17.173 1.00 1.00 H new ATOM 0 HD22 LEU A 48 30.909 9.040 18.238 1.00 1.00 H new ATOM 0 HD23 LEU A 48 32.138 9.828 17.221 1.00 1.00 H new ATOM 702 N VAL A 49 31.119 12.381 21.523 1.00 1.00 N ATOM 703 CA VAL A 49 31.101 13.218 22.717 1.00 1.00 C ATOM 704 C VAL A 49 29.686 13.336 23.278 1.00 1.00 C ATOM 705 O VAL A 49 29.401 14.218 24.087 1.00 1.00 O ATOM 706 CB VAL A 49 31.632 14.612 22.384 1.00 1.00 C ATOM 707 CG1 VAL A 49 33.051 14.498 21.823 1.00 1.00 C ATOM 708 CG2 VAL A 49 30.724 15.266 21.340 1.00 1.00 C ATOM 0 H VAL A 49 30.859 12.862 20.662 1.00 1.00 H new ATOM 0 HA VAL A 49 31.738 12.751 23.469 1.00 1.00 H new ATOM 0 HB VAL A 49 31.647 15.221 23.288 1.00 1.00 H new ATOM 0 HG11 VAL A 49 33.429 15.492 21.586 1.00 1.00 H new ATOM 0 HG12 VAL A 49 33.699 14.031 22.565 1.00 1.00 H new ATOM 0 HG13 VAL A 49 33.037 13.890 20.919 1.00 1.00 H new ATOM 0 HG21 VAL A 49 31.101 16.260 21.101 1.00 1.00 H new ATOM 0 HG22 VAL A 49 30.711 14.656 20.436 1.00 1.00 H new ATOM 0 HG23 VAL A 49 29.712 15.348 21.738 1.00 1.00 H new ATOM 718 N LEU A 50 28.804 12.443 22.844 1.00 1.00 N ATOM 719 CA LEU A 50 27.422 12.461 23.312 1.00 1.00 C ATOM 720 C LEU A 50 26.891 11.040 23.473 1.00 1.00 C ATOM 721 O LEU A 50 25.703 10.836 23.722 1.00 1.00 O ATOM 722 CB LEU A 50 26.541 13.233 22.325 1.00 1.00 C ATOM 723 CG LEU A 50 27.025 12.990 20.893 1.00 1.00 C ATOM 724 CD1 LEU A 50 27.019 11.490 20.596 1.00 1.00 C ATOM 725 CD2 LEU A 50 26.093 13.705 19.912 1.00 1.00 C ATOM 0 H LEU A 50 29.018 11.703 22.175 1.00 1.00 H new ATOM 0 HA LEU A 50 27.395 12.957 24.282 1.00 1.00 H new ATOM 0 HB2 LEU A 50 25.503 12.916 22.426 1.00 1.00 H new ATOM 0 HB3 LEU A 50 26.572 14.298 22.553 1.00 1.00 H new ATOM 0 HG LEU A 50 28.038 13.377 20.784 1.00 1.00 H new ATOM 0 HD11 LEU A 50 27.364 11.320 19.576 1.00 1.00 H new ATOM 0 HD12 LEU A 50 27.682 10.978 21.294 1.00 1.00 H new ATOM 0 HD13 LEU A 50 26.007 11.101 20.706 1.00 1.00 H new ATOM 0 HD21 LEU A 50 26.437 13.533 18.892 1.00 1.00 H new ATOM 0 HD22 LEU A 50 25.080 13.317 20.024 1.00 1.00 H new ATOM 0 HD23 LEU A 50 26.097 14.775 20.120 1.00 1.00 H new ATOM 737 N TRP A 51 27.780 10.062 23.324 1.00 1.00 N ATOM 738 CA TRP A 51 27.393 8.662 23.451 1.00 1.00 C ATOM 739 C TRP A 51 27.848 8.099 24.793 1.00 1.00 C ATOM 740 O TRP A 51 27.063 8.003 25.736 1.00 1.00 O ATOM 741 CB TRP A 51 28.015 7.849 22.314 1.00 1.00 C ATOM 742 CG TRP A 51 28.088 6.408 22.709 1.00 1.00 C ATOM 743 CD1 TRP A 51 27.035 5.658 23.111 1.00 1.00 C ATOM 744 CD2 TRP A 51 29.252 5.534 22.745 1.00 1.00 C ATOM 745 NE1 TRP A 51 27.481 4.379 23.391 1.00 1.00 N ATOM 746 CE2 TRP A 51 28.839 4.252 23.181 1.00 1.00 C ATOM 747 CE3 TRP A 51 30.613 5.725 22.445 1.00 1.00 C ATOM 748 CZ2 TRP A 51 29.744 3.198 23.314 1.00 1.00 C ATOM 749 CZ3 TRP A 51 31.526 4.667 22.578 1.00 1.00 C ATOM 750 CH2 TRP A 51 31.093 3.406 23.012 1.00 1.00 C ATOM 0 H TRP A 51 28.767 10.212 23.116 1.00 1.00 H new ATOM 0 HA TRP A 51 26.306 8.595 23.395 1.00 1.00 H new ATOM 0 HB2 TRP A 51 27.420 7.958 21.407 1.00 1.00 H new ATOM 0 HB3 TRP A 51 29.013 8.225 22.088 1.00 1.00 H new ATOM 0 HD1 TRP A 51 26.015 6.002 23.199 1.00 1.00 H new ATOM 0 HE1 TRP A 51 26.879 3.621 23.714 1.00 1.00 H new ATOM 0 HE3 TRP A 51 30.958 6.692 22.110 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 29.405 2.229 23.648 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 32.569 4.825 22.345 1.00 1.00 H new ATOM 0 HH2 TRP A 51 31.801 2.596 23.113 1.00 1.00 H new ATOM 761 N THR A 52 29.122 7.726 24.872 1.00 1.00 N ATOM 762 CA THR A 52 29.670 7.173 26.104 1.00 1.00 C ATOM 763 C THR A 52 29.664 8.223 27.212 1.00 1.00 C ATOM 764 O THR A 52 29.455 7.902 28.382 1.00 1.00 O ATOM 765 CB THR A 52 31.102 6.688 25.867 1.00 1.00 C ATOM 766 OG1 THR A 52 31.657 6.237 27.095 1.00 1.00 O ATOM 767 CG2 THR A 52 31.947 7.835 25.313 1.00 1.00 C ATOM 0 H THR A 52 29.789 7.796 24.103 1.00 1.00 H new ATOM 0 HA THR A 52 29.048 6.333 26.411 1.00 1.00 H new ATOM 0 HB THR A 52 31.094 5.868 25.149 1.00 1.00 H new ATOM 0 HG1 THR A 52 32.574 5.925 26.945 1.00 1.00 H new ATOM 0 HG21 THR A 52 32.966 7.488 25.145 1.00 1.00 H new ATOM 0 HG22 THR A 52 31.521 8.179 24.371 1.00 1.00 H new ATOM 0 HG23 THR A 52 31.957 8.658 26.028 1.00 1.00 H new ATOM 775 N VAL A 53 29.894 9.475 26.834 1.00 1.00 N ATOM 776 CA VAL A 53 29.913 10.564 27.803 1.00 1.00 C ATOM 777 C VAL A 53 28.537 10.742 28.437 1.00 1.00 C ATOM 778 O VAL A 53 28.411 11.310 29.522 1.00 1.00 O ATOM 779 CB VAL A 53 30.332 11.866 27.118 1.00 1.00 C ATOM 780 CG1 VAL A 53 30.272 13.015 28.126 1.00 1.00 C ATOM 781 CG2 VAL A 53 31.763 11.725 26.592 1.00 1.00 C ATOM 0 H VAL A 53 30.069 9.760 25.870 1.00 1.00 H new ATOM 0 HA VAL A 53 30.632 10.316 28.584 1.00 1.00 H new ATOM 0 HB VAL A 53 29.656 12.075 26.288 1.00 1.00 H new ATOM 0 HG11 VAL A 53 30.571 13.943 27.638 1.00 1.00 H new ATOM 0 HG12 VAL A 53 29.254 13.115 28.504 1.00 1.00 H new ATOM 0 HG13 VAL A 53 30.948 12.807 28.955 1.00 1.00 H new ATOM 0 HG21 VAL A 53 32.064 12.652 26.103 1.00 1.00 H new ATOM 0 HG22 VAL A 53 32.437 11.517 27.423 1.00 1.00 H new ATOM 0 HG23 VAL A 53 31.808 10.905 25.875 1.00 1.00 H new ATOM 791 N PHE A 54 27.508 10.252 27.753 1.00 1.00 N ATOM 792 CA PHE A 54 26.144 10.363 28.260 1.00 1.00 C ATOM 793 C PHE A 54 25.883 9.305 29.328 1.00 1.00 C ATOM 794 O PHE A 54 24.893 9.378 30.055 1.00 1.00 O ATOM 795 CB PHE A 54 25.146 10.192 27.114 1.00 1.00 C ATOM 796 CG PHE A 54 23.751 10.480 27.615 1.00 1.00 C ATOM 797 CD1 PHE A 54 23.357 11.800 27.867 1.00 1.00 C ATOM 798 CD2 PHE A 54 22.852 9.428 27.828 1.00 1.00 C ATOM 799 CE1 PHE A 54 22.063 12.067 28.331 1.00 1.00 C ATOM 800 CE2 PHE A 54 21.560 9.695 28.292 1.00 1.00 C ATOM 801 CZ PHE A 54 21.165 11.015 28.544 1.00 1.00 C ATOM 0 H PHE A 54 27.591 9.778 26.854 1.00 1.00 H new ATOM 0 HA PHE A 54 26.020 11.350 28.705 1.00 1.00 H new ATOM 0 HB2 PHE A 54 25.397 10.867 26.295 1.00 1.00 H new ATOM 0 HB3 PHE A 54 25.200 9.178 26.719 1.00 1.00 H new ATOM 0 HD1 PHE A 54 24.051 12.612 27.704 1.00 1.00 H new ATOM 0 HD2 PHE A 54 23.156 8.410 27.634 1.00 1.00 H new ATOM 0 HE1 PHE A 54 21.758 13.085 28.524 1.00 1.00 H new ATOM 0 HE2 PHE A 54 20.867 8.883 28.456 1.00 1.00 H new ATOM 0 HZ PHE A 54 20.167 11.221 28.903 1.00 1.00 H new ATOM 811 N ARG A 55 26.776 8.326 29.416 1.00 1.00 N ATOM 812 CA ARG A 55 26.631 7.259 30.399 1.00 1.00 C ATOM 813 C ARG A 55 27.982 6.909 31.013 1.00 1.00 C ATOM 814 O ARG A 55 28.200 5.781 31.457 1.00 1.00 O ATOM 815 CB ARG A 55 26.032 6.017 29.737 1.00 1.00 C ATOM 816 CG ARG A 55 26.912 5.589 28.561 1.00 1.00 C ATOM 817 CD ARG A 55 26.058 5.479 27.297 1.00 1.00 C ATOM 818 NE ARG A 55 24.902 4.625 27.542 1.00 1.00 N ATOM 819 CZ ARG A 55 25.007 3.301 27.511 1.00 1.00 C ATOM 820 NH1 ARG A 55 26.159 2.743 27.259 1.00 1.00 N ATOM 821 NH2 ARG A 55 23.957 2.558 27.733 1.00 1.00 N ATOM 0 H ARG A 55 27.602 8.249 28.823 1.00 1.00 H new ATOM 0 HA ARG A 55 25.965 7.606 31.189 1.00 1.00 H new ATOM 0 HB2 ARG A 55 25.956 5.207 30.462 1.00 1.00 H new ATOM 0 HB3 ARG A 55 25.021 6.229 29.390 1.00 1.00 H new ATOM 0 HG2 ARG A 55 27.712 6.313 28.410 1.00 1.00 H new ATOM 0 HG3 ARG A 55 27.385 4.631 28.777 1.00 1.00 H new ATOM 0 HD2 ARG A 55 25.728 6.470 26.985 1.00 1.00 H new ATOM 0 HD3 ARG A 55 26.654 5.071 26.481 1.00 1.00 H new ATOM 0 HE ARG A 55 23.997 5.051 27.741 1.00 1.00 H new ATOM 0 HH11 ARG A 55 26.980 3.323 27.086 1.00 1.00 H new ATOM 0 HH12 ARG A 55 26.239 1.726 27.235 1.00 1.00 H new ATOM 0 HH21 ARG A 55 23.056 2.994 27.930 1.00 1.00 H new ATOM 0 HH22 ARG A 55 24.037 1.541 27.709 1.00 1.00 H new ATOM 835 N LYS A 56 28.887 7.882 31.035 1.00 1.00 N ATOM 836 CA LYS A 56 30.213 7.668 31.594 1.00 1.00 C ATOM 837 C LYS A 56 30.220 7.999 33.084 1.00 1.00 C ATOM 838 O LYS A 56 30.706 7.215 33.901 1.00 1.00 O ATOM 839 CB LYS A 56 31.228 8.548 30.860 1.00 1.00 C ATOM 840 CG LYS A 56 32.592 8.447 31.544 1.00 1.00 C ATOM 841 CD LYS A 56 32.837 9.695 32.396 1.00 1.00 C ATOM 842 CE LYS A 56 33.249 10.859 31.493 1.00 1.00 C ATOM 843 NZ LYS A 56 32.601 12.113 31.972 1.00 1.00 N ATOM 0 H LYS A 56 28.726 8.822 30.673 1.00 1.00 H new ATOM 0 HA LYS A 56 30.485 6.620 31.468 1.00 1.00 H new ATOM 0 HB2 LYS A 56 31.309 8.235 29.819 1.00 1.00 H new ATOM 0 HB3 LYS A 56 30.889 9.584 30.856 1.00 1.00 H new ATOM 0 HG2 LYS A 56 32.631 7.555 32.169 1.00 1.00 H new ATOM 0 HG3 LYS A 56 33.378 8.346 30.796 1.00 1.00 H new ATOM 0 HD2 LYS A 56 31.934 9.953 32.950 1.00 1.00 H new ATOM 0 HD3 LYS A 56 33.617 9.498 33.132 1.00 1.00 H new ATOM 0 HE2 LYS A 56 34.333 10.972 31.499 1.00 1.00 H new ATOM 0 HE3 LYS A 56 32.956 10.656 30.463 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 32.881 12.905 31.358 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 31.567 12.002 31.944 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 32.902 12.308 32.948 1.00 1.00 H new