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= 0.777 K(o=0.78,f=0) 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 :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.284 USER MOD Single : A 19 CYS SG : rot -9:sc= 0.661 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -93:sc= 1.12 USER MOD Single : A 25 LYS NZ :NH3+ 160:sc=-0.00527 (180deg=-0.14) USER MOD Single : A 26 SER OG : rot 180:sc= 0.048 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 18:sc= 0.711 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.958 K(o=0.96,f=-0.12) 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 46.936 -18.708 -24.910 1.00 1.00 N ATOM 58 CA GLY A 5 47.996 -19.260 -24.075 1.00 1.00 C ATOM 59 C GLY A 5 47.584 -19.271 -22.607 1.00 1.00 C ATOM 60 O GLY A 5 48.070 -18.469 -21.809 1.00 1.00 O ATOM 0 HA2 GLY A 5 48.228 -20.274 -24.399 1.00 1.00 H new ATOM 0 HA3 GLY A 5 48.905 -18.670 -24.197 1.00 1.00 H new ATOM 64 N ASP A 6 46.685 -20.185 -22.257 1.00 1.00 N ATOM 65 CA ASP A 6 46.214 -20.292 -20.881 1.00 1.00 C ATOM 66 C ASP A 6 45.936 -18.909 -20.302 1.00 1.00 C ATOM 67 O ASP A 6 45.888 -18.734 -19.084 1.00 1.00 O ATOM 68 CB ASP A 6 47.261 -21.006 -20.025 1.00 1.00 C ATOM 69 CG ASP A 6 46.573 -21.885 -18.984 1.00 1.00 C ATOM 70 OD1 ASP A 6 46.296 -23.031 -19.296 1.00 1.00 O ATOM 71 OD2 ASP A 6 46.335 -21.397 -17.892 1.00 1.00 O ATOM 0 H ASP A 6 46.270 -20.858 -22.902 1.00 1.00 H new ATOM 0 HA ASP A 6 45.289 -20.868 -20.876 1.00 1.00 H new ATOM 0 HB2 ASP A 6 47.906 -21.615 -20.658 1.00 1.00 H new ATOM 0 HB3 ASP A 6 47.899 -20.274 -19.530 1.00 1.00 H new ATOM 76 N PHE A 7 45.753 -17.930 -21.181 1.00 1.00 N ATOM 77 CA PHE A 7 45.481 -16.565 -20.744 1.00 1.00 C ATOM 78 C PHE A 7 44.747 -15.791 -21.834 1.00 1.00 C ATOM 79 O PHE A 7 45.226 -15.680 -22.962 1.00 1.00 O ATOM 80 CB PHE A 7 46.792 -15.854 -20.406 1.00 1.00 C ATOM 81 CG PHE A 7 47.049 -15.950 -18.921 1.00 1.00 C ATOM 82 CD1 PHE A 7 46.335 -15.137 -18.032 1.00 1.00 C ATOM 83 CD2 PHE A 7 48.000 -16.853 -18.432 1.00 1.00 C ATOM 84 CE1 PHE A 7 46.572 -15.227 -16.655 1.00 1.00 C ATOM 85 CE2 PHE A 7 48.238 -16.943 -17.055 1.00 1.00 C ATOM 86 CZ PHE A 7 47.524 -16.130 -16.167 1.00 1.00 C ATOM 0 H PHE A 7 45.788 -18.054 -22.193 1.00 1.00 H new ATOM 0 HA PHE A 7 44.851 -16.606 -19.855 1.00 1.00 H new ATOM 0 HB2 PHE A 7 47.616 -16.306 -20.958 1.00 1.00 H new ATOM 0 HB3 PHE A 7 46.740 -14.809 -20.710 1.00 1.00 H new ATOM 0 HD1 PHE A 7 45.601 -14.440 -18.409 1.00 1.00 H new ATOM 0 HD2 PHE A 7 48.551 -17.481 -19.117 1.00 1.00 H new ATOM 0 HE1 PHE A 7 46.021 -14.600 -15.970 1.00 1.00 H new ATOM 0 HE2 PHE A 7 48.972 -17.640 -16.678 1.00 1.00 H new ATOM 0 HZ PHE A 7 47.708 -16.199 -15.105 1.00 1.00 H new ATOM 96 N ASP A 8 43.579 -15.256 -21.488 1.00 1.00 N ATOM 97 CA ASP A 8 42.787 -14.495 -22.444 1.00 1.00 C ATOM 98 C ASP A 8 41.717 -13.680 -21.724 1.00 1.00 C ATOM 99 O ASP A 8 41.345 -12.595 -22.172 1.00 1.00 O ATOM 100 CB ASP A 8 42.123 -15.443 -23.443 1.00 1.00 C ATOM 101 CG ASP A 8 42.790 -15.313 -24.808 1.00 1.00 C ATOM 102 OD1 ASP A 8 42.662 -14.259 -25.409 1.00 1.00 O ATOM 103 OD2 ASP A 8 43.415 -16.270 -25.233 1.00 1.00 O ATOM 0 H ASP A 8 43.164 -15.335 -20.560 1.00 1.00 H new ATOM 0 HA ASP A 8 43.450 -13.813 -22.976 1.00 1.00 H new ATOM 0 HB2 ASP A 8 42.200 -16.471 -23.088 1.00 1.00 H new ATOM 0 HB3 ASP A 8 41.061 -15.213 -23.525 1.00 1.00 H new ATOM 108 N ASN A 9 41.227 -14.210 -20.609 1.00 1.00 N ATOM 109 CA ASN A 9 40.200 -13.522 -19.835 1.00 1.00 C ATOM 110 C ASN A 9 40.821 -12.794 -18.646 1.00 1.00 C ATOM 111 O ASN A 9 40.122 -12.138 -17.875 1.00 1.00 O ATOM 112 CB ASN A 9 39.162 -14.527 -19.333 1.00 1.00 C ATOM 113 CG ASN A 9 37.770 -13.910 -19.387 1.00 1.00 C ATOM 114 OD1 ASN A 9 36.892 -14.415 -20.088 1.00 1.00 O ATOM 115 ND2 ASN A 9 37.512 -12.841 -18.683 1.00 1.00 N ATOM 0 H ASN A 9 41.521 -15.107 -20.223 1.00 1.00 H new ATOM 0 HA ASN A 9 39.715 -12.791 -20.482 1.00 1.00 H new ATOM 0 HB2 ASN A 9 39.193 -15.429 -19.944 1.00 1.00 H new ATOM 0 HB3 ASN A 9 39.397 -14.825 -18.311 1.00 1.00 H new ATOM 0 HD21 ASN A 9 36.582 -12.423 -18.713 1.00 1.00 H new ATOM 0 HD22 ASN A 9 38.240 -12.424 -18.103 1.00 1.00 H new ATOM 122 N TYR A 10 42.137 -12.915 -18.507 1.00 1.00 N ATOM 123 CA TYR A 10 42.843 -12.264 -17.408 1.00 1.00 C ATOM 124 C TYR A 10 42.453 -12.893 -16.074 1.00 1.00 C ATOM 125 O TYR A 10 43.275 -13.525 -15.412 1.00 1.00 O ATOM 126 CB TYR A 10 42.514 -10.770 -17.388 1.00 1.00 C ATOM 127 CG TYR A 10 42.240 -10.295 -18.794 1.00 1.00 C ATOM 128 CD1 TYR A 10 43.103 -10.657 -19.836 1.00 1.00 C ATOM 129 CD2 TYR A 10 41.125 -9.490 -19.057 1.00 1.00 C ATOM 130 CE1 TYR A 10 42.849 -10.216 -21.140 1.00 1.00 C ATOM 131 CE2 TYR A 10 40.871 -9.049 -20.361 1.00 1.00 C ATOM 132 CZ TYR A 10 41.734 -9.412 -21.403 1.00 1.00 C ATOM 133 OH TYR A 10 41.483 -8.977 -22.689 1.00 1.00 O ATOM 0 H TYR A 10 42.733 -13.453 -19.136 1.00 1.00 H new ATOM 0 HA TYR A 10 43.914 -12.397 -17.559 1.00 1.00 H new ATOM 0 HB2 TYR A 10 41.646 -10.587 -16.755 1.00 1.00 H new ATOM 0 HB3 TYR A 10 43.345 -10.210 -16.959 1.00 1.00 H new ATOM 0 HD1 TYR A 10 43.964 -11.276 -19.633 1.00 1.00 H new ATOM 0 HD2 TYR A 10 40.461 -9.209 -18.253 1.00 1.00 H new ATOM 0 HE1 TYR A 10 43.514 -10.496 -21.944 1.00 1.00 H new ATOM 0 HE2 TYR A 10 40.010 -8.429 -20.564 1.00 1.00 H new ATOM 0 HH TYR A 10 40.670 -8.430 -22.697 1.00 1.00 H new ATOM 143 N TYR A 11 41.194 -12.713 -15.686 1.00 1.00 N ATOM 144 CA TYR A 11 40.705 -13.268 -14.429 1.00 1.00 C ATOM 145 C TYR A 11 41.141 -12.399 -13.254 1.00 1.00 C ATOM 146 O TYR A 11 42.291 -12.459 -12.818 1.00 1.00 O ATOM 147 CB TYR A 11 41.238 -14.689 -14.240 1.00 1.00 C ATOM 148 CG TYR A 11 40.217 -15.516 -13.496 1.00 1.00 C ATOM 149 CD1 TYR A 11 40.019 -15.317 -12.125 1.00 1.00 C ATOM 150 CD2 TYR A 11 39.467 -16.481 -14.178 1.00 1.00 C ATOM 151 CE1 TYR A 11 39.073 -16.083 -11.435 1.00 1.00 C ATOM 152 CE2 TYR A 11 38.520 -17.247 -13.489 1.00 1.00 C ATOM 153 CZ TYR A 11 38.323 -17.049 -12.117 1.00 1.00 C ATOM 154 OH TYR A 11 37.388 -17.804 -11.438 1.00 1.00 O ATOM 0 H TYR A 11 40.499 -12.191 -16.220 1.00 1.00 H new ATOM 0 HA TYR A 11 39.616 -13.292 -14.465 1.00 1.00 H new ATOM 0 HB2 TYR A 11 41.451 -15.141 -15.209 1.00 1.00 H new ATOM 0 HB3 TYR A 11 42.176 -14.666 -13.686 1.00 1.00 H new ATOM 0 HD1 TYR A 11 40.597 -14.571 -11.599 1.00 1.00 H new ATOM 0 HD2 TYR A 11 39.619 -16.634 -15.236 1.00 1.00 H new ATOM 0 HE1 TYR A 11 38.921 -15.929 -10.377 1.00 1.00 H new ATOM 0 HE2 TYR A 11 37.941 -17.991 -14.016 1.00 1.00 H new ATOM 0 HH TYR A 11 36.956 -18.426 -12.060 1.00 1.00 H new ATOM 164 N GLY A 12 40.215 -11.592 -12.745 1.00 1.00 N ATOM 165 CA GLY A 12 40.516 -10.715 -11.620 1.00 1.00 C ATOM 166 C GLY A 12 41.428 -9.573 -12.053 1.00 1.00 C ATOM 167 O GLY A 12 41.075 -8.401 -11.928 1.00 1.00 O ATOM 0 H GLY A 12 39.258 -11.527 -13.091 1.00 1.00 H new ATOM 0 HA2 GLY A 12 39.590 -10.312 -11.210 1.00 1.00 H new ATOM 0 HA3 GLY A 12 40.994 -11.287 -10.825 1.00 1.00 H new ATOM 171 N ALA A 13 42.602 -9.925 -12.566 1.00 1.00 N ATOM 172 CA ALA A 13 43.559 -8.923 -13.019 1.00 1.00 C ATOM 173 C ALA A 13 43.821 -7.896 -11.922 1.00 1.00 C ATOM 174 O ALA A 13 44.779 -8.019 -11.159 1.00 1.00 O ATOM 175 CB ALA A 13 43.023 -8.217 -14.266 1.00 1.00 C ATOM 0 H ALA A 13 42.912 -10.890 -12.678 1.00 1.00 H new ATOM 0 HA ALA A 13 44.496 -9.425 -13.260 1.00 1.00 H new ATOM 0 HB1 ALA A 13 43.743 -7.470 -14.599 1.00 1.00 H new ATOM 0 HB2 ALA A 13 42.866 -8.948 -15.059 1.00 1.00 H new ATOM 0 HB3 ALA A 13 42.077 -7.729 -14.030 1.00 1.00 H new ATOM 181 N ASP A 14 42.963 -6.883 -11.847 1.00 1.00 N ATOM 182 CA ASP A 14 43.113 -5.842 -10.838 1.00 1.00 C ATOM 183 C ASP A 14 43.216 -6.454 -9.446 1.00 1.00 C ATOM 184 O ASP A 14 43.991 -5.991 -8.608 1.00 1.00 O ATOM 185 CB ASP A 14 41.917 -4.888 -10.891 1.00 1.00 C ATOM 186 CG ASP A 14 41.627 -4.337 -9.498 1.00 1.00 C ATOM 187 OD1 ASP A 14 41.111 -5.084 -8.683 1.00 1.00 O ATOM 188 OD2 ASP A 14 41.927 -3.178 -9.267 1.00 1.00 O ATOM 0 H ASP A 14 42.163 -6.762 -12.468 1.00 1.00 H new ATOM 0 HA ASP A 14 44.029 -5.289 -11.047 1.00 1.00 H new ATOM 0 HB2 ASP A 14 42.125 -4.069 -11.579 1.00 1.00 H new ATOM 0 HB3 ASP A 14 41.041 -5.411 -11.274 1.00 1.00 H new ATOM 193 N ASN A 15 42.432 -7.500 -9.205 1.00 1.00 N ATOM 194 CA ASN A 15 42.443 -8.169 -7.909 1.00 1.00 C ATOM 195 C ASN A 15 43.873 -8.332 -7.403 1.00 1.00 C ATOM 196 O ASN A 15 44.139 -8.197 -6.209 1.00 1.00 O ATOM 197 CB ASN A 15 41.781 -9.543 -8.025 1.00 1.00 C ATOM 198 CG ASN A 15 41.788 -10.242 -6.670 1.00 1.00 C ATOM 199 OD1 ASN A 15 41.702 -9.530 -5.579 1.00 1.00 O flip ATOM 200 ND2 ASN A 15 41.874 -11.468 -6.602 1.00 1.00 N flip ATOM 0 H ASN A 15 41.785 -7.900 -9.885 1.00 1.00 H new ATOM 0 HA ASN A 15 41.886 -7.557 -7.200 1.00 1.00 H new ATOM 0 HB2 ASN A 15 40.757 -9.433 -8.381 1.00 1.00 H new ATOM 0 HB3 ASN A 15 42.311 -10.150 -8.759 1.00 1.00 H new ATOM 0 HD21 ASN A 15 41.941 -12.023 -7.455 1.00 1.00 H new ATOM 0 HD22 ASN A 15 41.878 -11.929 -5.692 1.00 1.00 H new ATOM 207 N GLN A 16 44.790 -8.622 -8.320 1.00 1.00 N ATOM 208 CA GLN A 16 46.191 -8.800 -7.955 1.00 1.00 C ATOM 209 C GLN A 16 46.987 -7.533 -8.250 1.00 1.00 C ATOM 210 O GLN A 16 48.109 -7.596 -8.753 1.00 1.00 O ATOM 211 CB GLN A 16 46.788 -9.973 -8.736 1.00 1.00 C ATOM 212 CG GLN A 16 45.780 -11.124 -8.781 1.00 1.00 C ATOM 213 CD GLN A 16 46.510 -12.451 -8.953 1.00 1.00 C ATOM 214 OE1 GLN A 16 47.245 -12.634 -9.924 1.00 1.00 O ATOM 215 NE2 GLN A 16 46.351 -13.394 -8.065 1.00 1.00 N ATOM 0 H GLN A 16 44.591 -8.738 -9.314 1.00 1.00 H new ATOM 0 HA GLN A 16 46.245 -9.009 -6.887 1.00 1.00 H new ATOM 0 HB2 GLN A 16 47.041 -9.658 -9.748 1.00 1.00 H new ATOM 0 HB3 GLN A 16 47.713 -10.304 -8.264 1.00 1.00 H new ATOM 0 HG2 GLN A 16 45.192 -11.139 -7.863 1.00 1.00 H new ATOM 0 HG3 GLN A 16 45.082 -10.974 -9.604 1.00 1.00 H new ATOM 0 HE21 GLN A 16 45.742 -13.240 -7.261 1.00 1.00 H new ATOM 0 HE22 GLN A 16 46.836 -14.285 -8.174 1.00 1.00 H new ATOM 224 N SER A 17 46.399 -6.384 -7.933 1.00 1.00 N ATOM 225 CA SER A 17 47.064 -5.107 -8.168 1.00 1.00 C ATOM 226 C SER A 17 46.841 -4.163 -6.992 1.00 1.00 C ATOM 227 O SER A 17 46.031 -4.438 -6.106 1.00 1.00 O ATOM 228 CB SER A 17 46.527 -4.467 -9.448 1.00 1.00 C ATOM 229 OG SER A 17 47.199 -3.235 -9.674 1.00 1.00 O ATOM 0 H SER A 17 45.471 -6.310 -7.516 1.00 1.00 H new ATOM 0 HA SER A 17 48.133 -5.289 -8.275 1.00 1.00 H new ATOM 0 HB2 SER A 17 46.677 -5.137 -10.294 1.00 1.00 H new ATOM 0 HB3 SER A 17 45.454 -4.299 -9.362 1.00 1.00 H new ATOM 0 HG SER A 17 46.858 -2.822 -10.495 1.00 1.00 H new ATOM 235 N GLU A 18 47.564 -3.048 -6.989 1.00 1.00 N ATOM 236 CA GLU A 18 47.436 -2.068 -5.916 1.00 1.00 C ATOM 237 C GLU A 18 45.992 -1.593 -5.795 1.00 1.00 C ATOM 238 O GLU A 18 45.601 -0.602 -6.413 1.00 1.00 O ATOM 239 CB GLU A 18 48.349 -0.871 -6.190 1.00 1.00 C ATOM 240 CG GLU A 18 49.779 -1.362 -6.422 1.00 1.00 C ATOM 241 CD GLU A 18 50.001 -1.642 -7.904 1.00 1.00 C ATOM 242 OE1 GLU A 18 50.321 -0.710 -8.622 1.00 1.00 O ATOM 243 OE2 GLU A 18 49.846 -2.787 -8.299 1.00 1.00 O ATOM 0 H GLU A 18 48.240 -2.801 -7.712 1.00 1.00 H new ATOM 0 HA GLU A 18 47.730 -2.541 -4.979 1.00 1.00 H new ATOM 0 HB2 GLU A 18 47.995 -0.323 -7.063 1.00 1.00 H new ATOM 0 HB3 GLU A 18 48.323 -0.180 -5.348 1.00 1.00 H new ATOM 0 HG2 GLU A 18 50.490 -0.613 -6.075 1.00 1.00 H new ATOM 0 HG3 GLU A 18 49.960 -2.267 -5.842 1.00 1.00 H new ATOM 250 N CYS A 19 45.205 -2.304 -4.994 1.00 1.00 N ATOM 251 CA CYS A 19 43.806 -1.944 -4.799 1.00 1.00 C ATOM 252 C CYS A 19 43.627 -1.171 -3.496 1.00 1.00 C ATOM 253 O CYS A 19 42.574 -1.238 -2.863 1.00 1.00 O ATOM 254 CB CYS A 19 42.941 -3.206 -4.768 1.00 1.00 C ATOM 255 SG CYS A 19 41.277 -2.812 -5.365 1.00 1.00 S ATOM 0 H CYS A 19 45.509 -3.127 -4.473 1.00 1.00 H new ATOM 0 HA CYS A 19 43.495 -1.310 -5.630 1.00 1.00 H new ATOM 0 HB2 CYS A 19 43.388 -3.982 -5.390 1.00 1.00 H new ATOM 0 HB3 CYS A 19 42.891 -3.601 -3.753 1.00 1.00 H new ATOM 0 HG CYS A 19 41.158 -1.525 -5.500 1.00 1.00 H new ATOM 261 N GLU A 20 44.663 -0.437 -3.103 1.00 1.00 N ATOM 262 CA GLU A 20 44.611 0.344 -1.874 1.00 1.00 C ATOM 263 C GLU A 20 45.380 1.652 -2.037 1.00 1.00 C ATOM 264 O GLU A 20 44.978 2.690 -1.512 1.00 1.00 O ATOM 265 CB GLU A 20 45.207 -0.461 -0.717 1.00 1.00 C ATOM 266 CG GLU A 20 44.896 -1.946 -0.914 1.00 1.00 C ATOM 267 CD GLU A 20 45.346 -2.738 0.309 1.00 1.00 C ATOM 268 OE1 GLU A 20 46.544 -2.860 0.504 1.00 1.00 O ATOM 269 OE2 GLU A 20 44.485 -3.211 1.033 1.00 1.00 O ATOM 0 H GLU A 20 45.543 -0.367 -3.614 1.00 1.00 H new ATOM 0 HA GLU A 20 43.568 0.574 -1.656 1.00 1.00 H new ATOM 0 HB2 GLU A 20 46.285 -0.308 -0.671 1.00 1.00 H new ATOM 0 HB3 GLU A 20 44.795 -0.115 0.231 1.00 1.00 H new ATOM 0 HG2 GLU A 20 43.827 -2.084 -1.074 1.00 1.00 H new ATOM 0 HG3 GLU A 20 45.402 -2.317 -1.805 1.00 1.00 H new ATOM 276 N TYR A 21 46.489 1.593 -2.766 1.00 1.00 N ATOM 277 CA TYR A 21 47.308 2.778 -2.990 1.00 1.00 C ATOM 278 C TYR A 21 46.848 3.521 -4.241 1.00 1.00 C ATOM 279 O TYR A 21 47.474 4.493 -4.663 1.00 1.00 O ATOM 280 CB TYR A 21 48.776 2.377 -3.147 1.00 1.00 C ATOM 281 CG TYR A 21 49.226 1.621 -1.920 1.00 1.00 C ATOM 282 CD1 TYR A 21 49.441 2.303 -0.717 1.00 1.00 C ATOM 283 CD2 TYR A 21 49.428 0.236 -1.986 1.00 1.00 C ATOM 284 CE1 TYR A 21 49.859 1.601 0.420 1.00 1.00 C ATOM 285 CE2 TYR A 21 49.847 -0.465 -0.849 1.00 1.00 C ATOM 286 CZ TYR A 21 50.062 0.217 0.354 1.00 1.00 C ATOM 287 OH TYR A 21 50.474 -0.474 1.475 1.00 1.00 O ATOM 0 H TYR A 21 46.840 0.744 -3.209 1.00 1.00 H new ATOM 0 HA TYR A 21 47.200 3.437 -2.129 1.00 1.00 H new ATOM 0 HB2 TYR A 21 48.902 1.758 -4.035 1.00 1.00 H new ATOM 0 HB3 TYR A 21 49.393 3.264 -3.287 1.00 1.00 H new ATOM 0 HD1 TYR A 21 49.285 3.370 -0.666 1.00 1.00 H new ATOM 0 HD2 TYR A 21 49.260 -0.291 -2.914 1.00 1.00 H new ATOM 0 HE1 TYR A 21 50.025 2.127 1.348 1.00 1.00 H new ATOM 0 HE2 TYR A 21 50.004 -1.532 -0.900 1.00 1.00 H new ATOM 0 HH TYR A 21 50.566 -1.425 1.258 1.00 1.00 H new ATOM 297 N THR A 22 45.752 3.055 -4.831 1.00 1.00 N ATOM 298 CA THR A 22 45.219 3.683 -6.035 1.00 1.00 C ATOM 299 C THR A 22 43.694 3.689 -6.014 1.00 1.00 C ATOM 300 O THR A 22 43.062 4.632 -6.491 1.00 1.00 O ATOM 301 CB THR A 22 45.709 2.930 -7.274 1.00 1.00 C ATOM 302 OG1 THR A 22 44.850 1.825 -7.525 1.00 1.00 O ATOM 303 CG2 THR A 22 47.135 2.428 -7.040 1.00 1.00 C ATOM 0 H THR A 22 45.219 2.251 -4.499 1.00 1.00 H new ATOM 0 HA THR A 22 45.572 4.714 -6.068 1.00 1.00 H new ATOM 0 HB THR A 22 45.700 3.600 -8.133 1.00 1.00 H new ATOM 0 HG1 THR A 22 45.210 1.025 -7.089 1.00 1.00 H new ATOM 0 HG21 THR A 22 47.482 1.892 -7.924 1.00 1.00 H new ATOM 0 HG22 THR A 22 47.792 3.276 -6.849 1.00 1.00 H new ATOM 0 HG23 THR A 22 47.148 1.758 -6.181 1.00 1.00 H new ATOM 311 N ASP A 23 43.112 2.631 -5.462 1.00 1.00 N ATOM 312 CA ASP A 23 41.660 2.516 -5.385 1.00 1.00 C ATOM 313 C ASP A 23 41.020 3.858 -5.041 1.00 1.00 C ATOM 314 O ASP A 23 39.852 4.092 -5.354 1.00 1.00 O ATOM 315 CB ASP A 23 41.276 1.482 -4.324 1.00 1.00 C ATOM 316 CG ASP A 23 40.217 0.535 -4.877 1.00 1.00 C ATOM 317 OD1 ASP A 23 40.545 -0.237 -5.763 1.00 1.00 O ATOM 318 OD2 ASP A 23 39.093 0.595 -4.405 1.00 1.00 O ATOM 0 H ASP A 23 43.621 1.843 -5.062 1.00 1.00 H new ATOM 0 HA ASP A 23 41.293 2.197 -6.361 1.00 1.00 H new ATOM 0 HB2 ASP A 23 42.157 0.917 -4.019 1.00 1.00 H new ATOM 0 HB3 ASP A 23 40.897 1.985 -3.435 1.00 1.00 H new ATOM 323 N TRP A 24 41.785 4.734 -4.392 1.00 1.00 N ATOM 324 CA TRP A 24 41.271 6.046 -4.008 1.00 1.00 C ATOM 325 C TRP A 24 41.860 7.146 -4.891 1.00 1.00 C ATOM 326 O TRP A 24 41.147 7.752 -5.693 1.00 1.00 O ATOM 327 CB TRP A 24 41.601 6.329 -2.541 1.00 1.00 C ATOM 328 CG TRP A 24 43.062 6.124 -2.305 1.00 1.00 C ATOM 329 CD1 TRP A 24 43.685 4.924 -2.274 1.00 1.00 C ATOM 330 CD2 TRP A 24 44.094 7.126 -2.067 1.00 1.00 C ATOM 331 NE1 TRP A 24 45.032 5.124 -2.033 1.00 1.00 N ATOM 332 CE2 TRP A 24 45.333 6.465 -1.897 1.00 1.00 C ATOM 333 CE3 TRP A 24 44.073 8.529 -1.981 1.00 1.00 C ATOM 334 CZ2 TRP A 24 46.511 7.171 -1.653 1.00 1.00 C ATOM 335 CZ3 TRP A 24 45.257 9.245 -1.735 1.00 1.00 C ATOM 336 CH2 TRP A 24 46.474 8.567 -1.571 1.00 1.00 C ATOM 0 H TRP A 24 42.754 4.561 -4.123 1.00 1.00 H new ATOM 0 HA TRP A 24 40.189 6.039 -4.142 1.00 1.00 H new ATOM 0 HB2 TRP A 24 41.322 7.351 -2.286 1.00 1.00 H new ATOM 0 HB3 TRP A 24 41.022 5.670 -1.894 1.00 1.00 H new ATOM 0 HD1 TRP A 24 43.208 3.965 -2.415 1.00 1.00 H new ATOM 0 HE1 TRP A 24 45.719 4.373 -1.964 1.00 1.00 H new ATOM 0 HE3 TRP A 24 43.141 9.060 -2.105 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 47.445 6.644 -1.528 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 45.230 10.323 -1.672 1.00 1.00 H new ATOM 0 HH2 TRP A 24 47.381 9.122 -1.382 1.00 1.00 H new ATOM 347 N LYS A 25 43.158 7.402 -4.739 1.00 1.00 N ATOM 348 CA LYS A 25 43.826 8.432 -5.523 1.00 1.00 C ATOM 349 C LYS A 25 42.931 9.657 -5.685 1.00 1.00 C ATOM 350 O LYS A 25 41.972 9.838 -4.935 1.00 1.00 O ATOM 351 CB LYS A 25 44.199 7.878 -6.900 1.00 1.00 C ATOM 352 CG LYS A 25 45.638 8.272 -7.238 1.00 1.00 C ATOM 353 CD LYS A 25 46.613 7.413 -6.427 1.00 1.00 C ATOM 354 CE LYS A 25 47.229 6.347 -7.334 1.00 1.00 C ATOM 355 NZ LYS A 25 48.220 6.982 -8.247 1.00 1.00 N ATOM 0 H LYS A 25 43.764 6.911 -4.082 1.00 1.00 H new ATOM 0 HA LYS A 25 44.731 8.733 -4.995 1.00 1.00 H new ATOM 0 HB2 LYS A 25 44.097 6.793 -6.907 1.00 1.00 H new ATOM 0 HB3 LYS A 25 43.517 8.267 -7.657 1.00 1.00 H new ATOM 0 HG2 LYS A 25 45.821 8.138 -8.304 1.00 1.00 H new ATOM 0 HG3 LYS A 25 45.798 9.327 -7.017 1.00 1.00 H new ATOM 0 HD2 LYS A 25 47.396 8.039 -5.999 1.00 1.00 H new ATOM 0 HD3 LYS A 25 46.092 6.940 -5.594 1.00 1.00 H new ATOM 0 HE2 LYS A 25 47.714 5.578 -6.732 1.00 1.00 H new ATOM 0 HE3 LYS A 25 46.449 5.853 -7.914 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 48.869 6.257 -8.613 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 47.722 7.433 -9.041 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 48.762 7.700 -7.726 1.00 1.00 H new ATOM 369 N SER A 26 43.253 10.493 -6.665 1.00 1.00 N ATOM 370 CA SER A 26 42.471 11.699 -6.915 1.00 1.00 C ATOM 371 C SER A 26 41.538 11.495 -8.103 1.00 1.00 C ATOM 372 O SER A 26 41.916 11.734 -9.250 1.00 1.00 O ATOM 373 CB SER A 26 43.403 12.879 -7.190 1.00 1.00 C ATOM 374 OG SER A 26 44.693 12.389 -7.532 1.00 1.00 O ATOM 0 H SER A 26 44.044 10.360 -7.295 1.00 1.00 H new ATOM 0 HA SER A 26 41.871 11.911 -6.030 1.00 1.00 H new ATOM 0 HB2 SER A 26 43.006 13.489 -8.001 1.00 1.00 H new ATOM 0 HB3 SER A 26 43.466 13.520 -6.311 1.00 1.00 H new ATOM 0 HG SER A 26 45.293 13.143 -7.711 1.00 1.00 H new ATOM 380 N SER A 27 40.318 11.054 -7.820 1.00 1.00 N ATOM 381 CA SER A 27 39.336 10.822 -8.872 1.00 1.00 C ATOM 382 C SER A 27 38.816 12.146 -9.422 1.00 1.00 C ATOM 383 O SER A 27 37.635 12.270 -9.752 1.00 1.00 O ATOM 384 CB SER A 27 38.169 10.001 -8.323 1.00 1.00 C ATOM 385 OG SER A 27 38.582 8.651 -8.158 1.00 1.00 O ATOM 0 H SER A 27 39.987 10.851 -6.877 1.00 1.00 H new ATOM 0 HA SER A 27 39.819 10.272 -9.680 1.00 1.00 H new ATOM 0 HB2 SER A 27 37.838 10.411 -7.369 1.00 1.00 H new ATOM 0 HB3 SER A 27 37.320 10.053 -9.005 1.00 1.00 H new ATOM 0 HG SER A 27 37.837 8.122 -7.804 1.00 1.00 H new ATOM 391 N GLY A 28 39.705 13.131 -9.519 1.00 1.00 N ATOM 392 CA GLY A 28 39.331 14.445 -10.030 1.00 1.00 C ATOM 393 C GLY A 28 39.756 15.545 -9.063 1.00 1.00 C ATOM 394 O GLY A 28 39.437 16.718 -9.263 1.00 1.00 O ATOM 0 H GLY A 28 40.685 13.044 -9.251 1.00 1.00 H new ATOM 0 HA2 GLY A 28 39.798 14.608 -11.001 1.00 1.00 H new ATOM 0 HA3 GLY A 28 38.253 14.487 -10.184 1.00 1.00 H new ATOM 398 N ALA A 29 40.475 15.158 -8.013 1.00 1.00 N ATOM 399 CA ALA A 29 40.939 16.118 -7.018 1.00 1.00 C ATOM 400 C ALA A 29 39.815 16.468 -6.047 1.00 1.00 C ATOM 401 O ALA A 29 39.723 17.598 -5.570 1.00 1.00 O ATOM 402 CB ALA A 29 41.435 17.391 -7.706 1.00 1.00 C ATOM 0 H ALA A 29 40.747 14.192 -7.830 1.00 1.00 H new ATOM 0 HA ALA A 29 41.759 15.665 -6.461 1.00 1.00 H new ATOM 0 HB1 ALA A 29 41.779 18.101 -6.954 1.00 1.00 H new ATOM 0 HB2 ALA A 29 42.259 17.145 -8.376 1.00 1.00 H new ATOM 0 HB3 ALA A 29 40.621 17.836 -8.279 1.00 1.00 H new ATOM 408 N LEU A 30 38.965 15.488 -5.758 1.00 1.00 N ATOM 409 CA LEU A 30 37.851 15.703 -4.840 1.00 1.00 C ATOM 410 C LEU A 30 38.177 15.128 -3.466 1.00 1.00 C ATOM 411 O LEU A 30 37.288 14.920 -2.641 1.00 1.00 O ATOM 412 CB LEU A 30 36.585 15.033 -5.386 1.00 1.00 C ATOM 413 CG LEU A 30 35.874 15.967 -6.374 1.00 1.00 C ATOM 414 CD1 LEU A 30 35.283 17.177 -5.639 1.00 1.00 C ATOM 415 CD2 LEU A 30 36.876 16.454 -7.424 1.00 1.00 C ATOM 0 H LEU A 30 39.024 14.545 -6.142 1.00 1.00 H new ATOM 0 HA LEU A 30 37.682 16.776 -4.746 1.00 1.00 H new ATOM 0 HB2 LEU A 30 36.845 14.098 -5.882 1.00 1.00 H new ATOM 0 HB3 LEU A 30 35.914 14.783 -4.564 1.00 1.00 H new ATOM 0 HG LEU A 30 35.066 15.417 -6.856 1.00 1.00 H new ATOM 0 HD11 LEU A 30 34.782 17.829 -6.355 1.00 1.00 H new ATOM 0 HD12 LEU A 30 34.564 16.835 -4.895 1.00 1.00 H new ATOM 0 HD13 LEU A 30 36.083 17.728 -5.144 1.00 1.00 H new ATOM 0 HD21 LEU A 30 36.373 17.118 -8.127 1.00 1.00 H new ATOM 0 HD22 LEU A 30 37.686 16.993 -6.932 1.00 1.00 H new ATOM 0 HD23 LEU A 30 37.284 15.598 -7.962 1.00 1.00 H new ATOM 427 N ILE A 31 39.459 14.870 -3.230 1.00 1.00 N ATOM 428 CA ILE A 31 39.893 14.317 -1.952 1.00 1.00 C ATOM 429 C ILE A 31 40.225 15.426 -0.951 1.00 1.00 C ATOM 430 O ILE A 31 39.913 15.305 0.234 1.00 1.00 O ATOM 431 CB ILE A 31 41.119 13.417 -2.152 1.00 1.00 C ATOM 432 CG1 ILE A 31 41.209 12.969 -3.618 1.00 1.00 C ATOM 433 CG2 ILE A 31 41.002 12.187 -1.250 1.00 1.00 C ATOM 434 CD1 ILE A 31 39.896 12.310 -4.056 1.00 1.00 C ATOM 0 H ILE A 31 40.210 15.033 -3.901 1.00 1.00 H new ATOM 0 HA ILE A 31 39.071 13.726 -1.549 1.00 1.00 H new ATOM 0 HB ILE A 31 42.018 13.977 -1.894 1.00 1.00 H new ATOM 0 HG12 ILE A 31 41.423 13.827 -4.255 1.00 1.00 H new ATOM 0 HG13 ILE A 31 42.034 12.268 -3.741 1.00 1.00 H new ATOM 0 HG21 ILE A 31 41.873 11.547 -1.392 1.00 1.00 H new ATOM 0 HG22 ILE A 31 40.950 12.503 -0.208 1.00 1.00 H new ATOM 0 HG23 ILE A 31 40.099 11.633 -1.506 1.00 1.00 H new ATOM 0 HD11 ILE A 31 39.975 11.998 -5.097 1.00 1.00 H new ATOM 0 HD12 ILE A 31 39.699 11.440 -3.430 1.00 1.00 H new ATOM 0 HD13 ILE A 31 39.079 13.023 -3.952 1.00 1.00 H new ATOM 446 N PRO A 32 40.846 16.496 -1.389 1.00 1.00 N ATOM 447 CA PRO A 32 41.212 17.630 -0.487 1.00 1.00 C ATOM 448 C PRO A 32 39.990 18.232 0.201 1.00 1.00 C ATOM 449 O PRO A 32 40.115 18.948 1.194 1.00 1.00 O ATOM 450 CB PRO A 32 41.874 18.655 -1.416 1.00 1.00 C ATOM 451 CG PRO A 32 42.264 17.897 -2.642 1.00 1.00 C ATOM 452 CD PRO A 32 41.266 16.751 -2.775 1.00 1.00 C ATOM 0 HA PRO A 32 41.867 17.306 0.322 1.00 1.00 H new ATOM 0 HB2 PRO A 32 41.186 19.465 -1.659 1.00 1.00 H new ATOM 0 HB3 PRO A 32 42.745 19.108 -0.942 1.00 1.00 H new ATOM 0 HG2 PRO A 32 42.236 18.540 -3.522 1.00 1.00 H new ATOM 0 HG3 PRO A 32 43.282 17.517 -2.557 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.421 17.026 -3.406 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.725 15.870 -3.224 1.00 1.00 H new ATOM 460 N ALA A 33 38.810 17.934 -0.334 1.00 1.00 N ATOM 461 CA ALA A 33 37.570 18.450 0.236 1.00 1.00 C ATOM 462 C ALA A 33 36.863 17.369 1.048 1.00 1.00 C ATOM 463 O ALA A 33 36.783 17.453 2.273 1.00 1.00 O ATOM 464 CB ALA A 33 36.646 18.939 -0.881 1.00 1.00 C ATOM 0 H ALA A 33 38.686 17.342 -1.156 1.00 1.00 H new ATOM 0 HA ALA A 33 37.814 19.283 0.896 1.00 1.00 H new ATOM 0 HB1 ALA A 33 35.722 19.323 -0.447 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.141 19.732 -1.441 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.416 18.111 -1.551 1.00 1.00 H new ATOM 470 N ILE A 34 36.352 16.356 0.356 1.00 1.00 N ATOM 471 CA ILE A 34 35.653 15.264 1.024 1.00 1.00 C ATOM 472 C ILE A 34 36.407 14.833 2.277 1.00 1.00 C ATOM 473 O ILE A 34 35.809 14.633 3.335 1.00 1.00 O ATOM 474 CB ILE A 34 35.514 14.073 0.074 1.00 1.00 C ATOM 475 CG1 ILE A 34 34.577 14.448 -1.077 1.00 1.00 C ATOM 476 CG2 ILE A 34 34.935 12.878 0.835 1.00 1.00 C ATOM 477 CD1 ILE A 34 34.648 13.376 -2.166 1.00 1.00 C ATOM 0 H ILE A 34 36.408 16.268 -0.659 1.00 1.00 H new ATOM 0 HA ILE A 34 34.662 15.615 1.313 1.00 1.00 H new ATOM 0 HB ILE A 34 36.493 13.809 -0.325 1.00 1.00 H new ATOM 0 HG12 ILE A 34 33.555 14.542 -0.711 1.00 1.00 H new ATOM 0 HG13 ILE A 34 34.859 15.417 -1.488 1.00 1.00 H new ATOM 0 HG21 ILE A 34 34.836 12.029 0.158 1.00 1.00 H new ATOM 0 HG22 ILE A 34 35.601 12.612 1.656 1.00 1.00 H new ATOM 0 HG23 ILE A 34 33.955 13.141 1.234 1.00 1.00 H new ATOM 0 HD11 ILE A 34 33.980 13.644 -2.985 1.00 1.00 H new ATOM 0 HD12 ILE A 34 35.669 13.304 -2.539 1.00 1.00 H new ATOM 0 HD13 ILE A 34 34.345 12.415 -1.751 1.00 1.00 H new ATOM 489 N TYR A 35 37.722 14.691 2.152 1.00 1.00 N ATOM 490 CA TYR A 35 38.547 14.284 3.284 1.00 1.00 C ATOM 491 C TYR A 35 38.562 15.368 4.356 1.00 1.00 C ATOM 492 O TYR A 35 38.530 15.074 5.550 1.00 1.00 O ATOM 493 CB TYR A 35 39.977 14.007 2.816 1.00 1.00 C ATOM 494 CG TYR A 35 40.747 13.328 3.923 1.00 1.00 C ATOM 495 CD1 TYR A 35 40.588 11.954 4.146 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.617 14.072 4.729 1.00 1.00 C ATOM 497 CE1 TYR A 35 41.301 11.326 5.174 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.329 13.442 5.756 1.00 1.00 C ATOM 499 CZ TYR A 35 42.172 12.070 5.979 1.00 1.00 C ATOM 500 OH TYR A 35 42.874 11.449 6.992 1.00 1.00 O ATOM 0 H TYR A 35 38.236 14.850 1.286 1.00 1.00 H new ATOM 0 HA TYR A 35 38.121 13.375 3.710 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.964 13.376 1.927 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.467 14.940 2.537 1.00 1.00 H new ATOM 0 HD1 TYR A 35 39.916 11.380 3.525 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.739 15.131 4.558 1.00 1.00 H new ATOM 0 HE1 TYR A 35 41.179 10.267 5.346 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.001 14.016 6.377 1.00 1.00 H new ATOM 0 HH TYR A 35 43.434 12.108 7.454 1.00 1.00 H new ATOM 510 N MET A 36 38.609 16.623 3.921 1.00 1.00 N ATOM 511 CA MET A 36 38.627 17.744 4.852 1.00 1.00 C ATOM 512 C MET A 36 37.328 17.800 5.649 1.00 1.00 C ATOM 513 O MET A 36 37.344 17.844 6.879 1.00 1.00 O ATOM 514 CB MET A 36 38.816 19.057 4.089 1.00 1.00 C ATOM 515 CG MET A 36 38.675 20.235 5.054 1.00 1.00 C ATOM 516 SD MET A 36 39.598 21.653 4.414 1.00 1.00 S ATOM 517 CE MET A 36 41.206 21.215 5.118 1.00 1.00 C ATOM 0 H MET A 36 38.635 16.888 2.936 1.00 1.00 H new ATOM 0 HA MET A 36 39.459 17.603 5.542 1.00 1.00 H new ATOM 0 HB2 MET A 36 39.798 19.077 3.616 1.00 1.00 H new ATOM 0 HB3 MET A 36 38.077 19.136 3.292 1.00 1.00 H new ATOM 0 HG2 MET A 36 37.624 20.496 5.175 1.00 1.00 H new ATOM 0 HG3 MET A 36 39.050 19.958 6.039 1.00 1.00 H new ATOM 0 HE1 MET A 36 41.942 21.970 4.842 1.00 1.00 H new ATOM 0 HE2 MET A 36 41.126 21.165 6.204 1.00 1.00 H new ATOM 0 HE3 MET A 36 41.520 20.245 4.732 1.00 1.00 H new ATOM 527 N LEU A 37 36.204 17.795 4.939 1.00 1.00 N ATOM 528 CA LEU A 37 34.901 17.845 5.592 1.00 1.00 C ATOM 529 C LEU A 37 34.693 16.612 6.467 1.00 1.00 C ATOM 530 O LEU A 37 34.459 16.725 7.670 1.00 1.00 O ATOM 531 CB LEU A 37 33.792 17.919 4.540 1.00 1.00 C ATOM 532 CG LEU A 37 34.102 19.042 3.549 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.992 19.118 2.499 1.00 1.00 C ATOM 534 CD2 LEU A 37 34.186 20.375 4.297 1.00 1.00 C ATOM 0 H LEU A 37 36.169 17.757 3.920 1.00 1.00 H new ATOM 0 HA LEU A 37 34.865 18.734 6.221 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.711 16.968 4.014 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.831 18.100 5.022 1.00 1.00 H new ATOM 0 HG LEU A 37 35.054 18.839 3.058 1.00 1.00 H new ATOM 0 HD11 LEU A 37 33.213 19.918 1.793 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.931 18.170 1.965 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.040 19.320 2.990 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.407 21.175 3.591 1.00 1.00 H new ATOM 0 HD22 LEU A 37 33.234 20.577 4.788 1.00 1.00 H new ATOM 0 HD23 LEU A 37 34.977 20.323 5.045 1.00 1.00 H new ATOM 546 N VAL A 38 34.781 15.436 5.853 1.00 1.00 N ATOM 547 CA VAL A 38 34.601 14.189 6.587 1.00 1.00 C ATOM 548 C VAL A 38 35.362 14.231 7.907 1.00 1.00 C ATOM 549 O VAL A 38 34.997 13.552 8.868 1.00 1.00 O ATOM 550 CB VAL A 38 35.099 13.012 5.746 1.00 1.00 C ATOM 551 CG1 VAL A 38 35.039 11.729 6.576 1.00 1.00 C ATOM 552 CG2 VAL A 38 34.212 12.859 4.509 1.00 1.00 C ATOM 0 H VAL A 38 34.974 15.321 4.858 1.00 1.00 H new ATOM 0 HA VAL A 38 33.539 14.062 6.797 1.00 1.00 H new ATOM 0 HB VAL A 38 36.128 13.197 5.437 1.00 1.00 H new ATOM 0 HG11 VAL A 38 35.394 10.891 5.976 1.00 1.00 H new ATOM 0 HG12 VAL A 38 35.670 11.837 7.458 1.00 1.00 H new ATOM 0 HG13 VAL A 38 34.010 11.544 6.886 1.00 1.00 H new ATOM 0 HG21 VAL A 38 34.566 12.021 3.909 1.00 1.00 H new ATOM 0 HG22 VAL A 38 33.184 12.675 4.819 1.00 1.00 H new ATOM 0 HG23 VAL A 38 34.254 13.773 3.916 1.00 1.00 H new ATOM 562 N PHE A 39 36.422 15.032 7.949 1.00 1.00 N ATOM 563 CA PHE A 39 37.227 15.155 9.158 1.00 1.00 C ATOM 564 C PHE A 39 36.439 15.860 10.257 1.00 1.00 C ATOM 565 O PHE A 39 36.428 15.421 11.407 1.00 1.00 O ATOM 566 CB PHE A 39 38.503 15.944 8.857 1.00 1.00 C ATOM 567 CG PHE A 39 39.567 15.589 9.869 1.00 1.00 C ATOM 568 CD1 PHE A 39 39.641 16.290 11.079 1.00 1.00 C ATOM 569 CD2 PHE A 39 40.478 14.562 9.597 1.00 1.00 C ATOM 570 CE1 PHE A 39 40.626 15.962 12.017 1.00 1.00 C ATOM 571 CE2 PHE A 39 41.463 14.235 10.536 1.00 1.00 C ATOM 572 CZ PHE A 39 41.538 14.934 11.746 1.00 1.00 C ATOM 0 H PHE A 39 36.742 15.602 7.166 1.00 1.00 H new ATOM 0 HA PHE A 39 37.490 14.154 9.500 1.00 1.00 H new ATOM 0 HB2 PHE A 39 38.854 15.718 7.850 1.00 1.00 H new ATOM 0 HB3 PHE A 39 38.298 17.014 8.890 1.00 1.00 H new ATOM 0 HD1 PHE A 39 38.938 17.083 11.288 1.00 1.00 H new ATOM 0 HD2 PHE A 39 40.421 14.022 8.663 1.00 1.00 H new ATOM 0 HE1 PHE A 39 40.683 16.502 12.951 1.00 1.00 H new ATOM 0 HE2 PHE A 39 42.166 13.442 10.327 1.00 1.00 H new ATOM 0 HZ PHE A 39 42.298 14.681 12.470 1.00 1.00 H new ATOM 582 N LEU A 40 35.781 16.957 9.895 1.00 1.00 N ATOM 583 CA LEU A 40 34.992 17.715 10.859 1.00 1.00 C ATOM 584 C LEU A 40 33.724 16.952 11.232 1.00 1.00 C ATOM 585 O LEU A 40 32.961 17.384 12.095 1.00 1.00 O ATOM 586 CB LEU A 40 34.615 19.076 10.270 1.00 1.00 C ATOM 587 CG LEU A 40 35.886 19.870 9.963 1.00 1.00 C ATOM 588 CD1 LEU A 40 35.640 20.784 8.762 1.00 1.00 C ATOM 589 CD2 LEU A 40 36.261 20.719 11.180 1.00 1.00 C ATOM 0 H LEU A 40 35.778 17.338 8.949 1.00 1.00 H new ATOM 0 HA LEU A 40 35.593 17.861 11.757 1.00 1.00 H new ATOM 0 HB2 LEU A 40 34.030 18.941 9.361 1.00 1.00 H new ATOM 0 HB3 LEU A 40 33.990 19.627 10.972 1.00 1.00 H new ATOM 0 HG LEU A 40 36.699 19.181 9.734 1.00 1.00 H new ATOM 0 HD11 LEU A 40 36.546 21.350 8.544 1.00 1.00 H new ATOM 0 HD12 LEU A 40 35.371 20.181 7.895 1.00 1.00 H new ATOM 0 HD13 LEU A 40 34.828 21.474 8.990 1.00 1.00 H new ATOM 0 HD21 LEU A 40 37.167 21.286 10.963 1.00 1.00 H new ATOM 0 HD22 LEU A 40 35.448 21.408 11.408 1.00 1.00 H new ATOM 0 HD23 LEU A 40 36.436 20.069 12.037 1.00 1.00 H new ATOM 601 N LEU A 41 33.508 15.817 10.575 1.00 1.00 N ATOM 602 CA LEU A 41 32.330 15.000 10.845 1.00 1.00 C ATOM 603 C LEU A 41 32.707 13.524 10.914 1.00 1.00 C ATOM 604 O LEU A 41 31.844 12.649 10.835 1.00 1.00 O ATOM 605 CB LEU A 41 31.286 15.211 9.745 1.00 1.00 C ATOM 606 CG LEU A 41 30.537 16.520 9.997 1.00 1.00 C ATOM 607 CD1 LEU A 41 30.218 17.192 8.661 1.00 1.00 C ATOM 608 CD2 LEU A 41 29.233 16.224 10.742 1.00 1.00 C ATOM 0 H LEU A 41 34.128 15.444 9.857 1.00 1.00 H new ATOM 0 HA LEU A 41 31.913 15.302 11.806 1.00 1.00 H new ATOM 0 HB2 LEU A 41 31.771 15.239 8.769 1.00 1.00 H new ATOM 0 HB3 LEU A 41 30.585 14.376 9.729 1.00 1.00 H new ATOM 0 HG LEU A 41 31.158 17.184 10.598 1.00 1.00 H new ATOM 0 HD11 LEU A 41 29.684 18.125 8.841 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.146 17.402 8.129 1.00 1.00 H new ATOM 0 HD13 LEU A 41 29.596 16.529 8.059 1.00 1.00 H new ATOM 0 HD21 LEU A 41 28.698 17.156 10.923 1.00 1.00 H new ATOM 0 HD22 LEU A 41 28.613 15.560 10.140 1.00 1.00 H new ATOM 0 HD23 LEU A 41 29.459 15.745 11.695 1.00 1.00 H new ATOM 620 N GLY A 42 34.000 13.255 11.061 1.00 1.00 N ATOM 621 CA GLY A 42 34.479 11.880 11.141 1.00 1.00 C ATOM 622 C GLY A 42 35.558 11.740 12.208 1.00 1.00 C ATOM 623 O GLY A 42 36.199 10.695 12.324 1.00 1.00 O ATOM 0 H GLY A 42 34.730 13.965 11.127 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.647 11.214 11.370 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.877 11.573 10.174 1.00 1.00 H new ATOM 627 N THR A 43 35.755 12.800 12.986 1.00 1.00 N ATOM 628 CA THR A 43 36.760 12.784 14.042 1.00 1.00 C ATOM 629 C THR A 43 36.414 13.801 15.125 1.00 1.00 C ATOM 630 O THR A 43 36.342 13.463 16.307 1.00 1.00 O ATOM 631 CB THR A 43 38.137 13.106 13.458 1.00 1.00 C ATOM 632 OG1 THR A 43 38.679 11.938 12.856 1.00 1.00 O ATOM 633 CG2 THR A 43 39.067 13.586 14.573 1.00 1.00 C ATOM 0 H THR A 43 35.236 13.674 12.906 1.00 1.00 H new ATOM 0 HA THR A 43 36.778 11.789 14.486 1.00 1.00 H new ATOM 0 HB THR A 43 38.039 13.890 12.707 1.00 1.00 H new ATOM 0 HG1 THR A 43 37.963 11.287 12.702 1.00 1.00 H new ATOM 0 HG21 THR A 43 40.048 13.815 14.156 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.651 14.482 15.034 1.00 1.00 H new ATOM 0 HG23 THR A 43 39.167 12.804 15.326 1.00 1.00 H new ATOM 641 N THR A 44 36.202 15.047 14.714 1.00 1.00 N ATOM 642 CA THR A 44 35.863 16.105 15.658 1.00 1.00 C ATOM 643 C THR A 44 34.554 15.788 16.373 1.00 1.00 C ATOM 644 O THR A 44 34.336 16.215 17.506 1.00 1.00 O ATOM 645 CB THR A 44 35.734 17.440 14.921 1.00 1.00 C ATOM 646 OG1 THR A 44 37.029 17.959 14.654 1.00 1.00 O ATOM 647 CG2 THR A 44 34.954 18.430 15.788 1.00 1.00 C ATOM 0 H THR A 44 36.258 15.347 13.741 1.00 1.00 H new ATOM 0 HA THR A 44 36.660 16.174 16.399 1.00 1.00 H new ATOM 0 HB THR A 44 35.203 17.287 13.981 1.00 1.00 H new ATOM 0 HG1 THR A 44 36.948 18.813 14.180 1.00 1.00 H new ATOM 0 HG21 THR A 44 34.863 19.381 15.262 1.00 1.00 H new ATOM 0 HG22 THR A 44 33.960 18.031 15.992 1.00 1.00 H new ATOM 0 HG23 THR A 44 35.483 18.585 16.729 1.00 1.00 H new ATOM 655 N GLY A 45 33.687 15.035 15.703 1.00 1.00 N ATOM 656 CA GLY A 45 32.402 14.666 16.284 1.00 1.00 C ATOM 657 C GLY A 45 32.566 14.223 17.734 1.00 1.00 C ATOM 658 O GLY A 45 32.022 14.841 18.648 1.00 1.00 O ATOM 0 H GLY A 45 33.850 14.671 14.764 1.00 1.00 H new ATOM 0 HA2 GLY A 45 31.719 15.514 16.234 1.00 1.00 H new ATOM 0 HA3 GLY A 45 31.953 13.861 15.702 1.00 1.00 H new ATOM 662 N ASN A 46 33.322 13.149 17.937 1.00 1.00 N ATOM 663 CA ASN A 46 33.552 12.632 19.281 1.00 1.00 C ATOM 664 C ASN A 46 34.935 11.997 19.382 1.00 1.00 C ATOM 665 O ASN A 46 35.228 11.270 20.331 1.00 1.00 O ATOM 666 CB ASN A 46 32.485 11.593 19.631 1.00 1.00 C ATOM 667 CG ASN A 46 31.613 12.106 20.771 1.00 1.00 C ATOM 668 OD1 ASN A 46 31.324 11.367 21.713 1.00 1.00 O ATOM 669 ND2 ASN A 46 31.173 13.333 20.742 1.00 1.00 N ATOM 0 H ASN A 46 33.783 12.623 17.194 1.00 1.00 H new ATOM 0 HA ASN A 46 33.494 13.463 19.984 1.00 1.00 H new ATOM 0 HB2 ASN A 46 31.869 11.383 18.757 1.00 1.00 H new ATOM 0 HB3 ASN A 46 32.960 10.655 19.919 1.00 1.00 H new ATOM 0 HD21 ASN A 46 30.588 13.683 21.501 1.00 1.00 H new ATOM 0 HD22 ASN A 46 31.414 13.943 19.961 1.00 1.00 H new ATOM 676 N GLY A 47 35.783 12.278 18.397 1.00 1.00 N ATOM 677 CA GLY A 47 37.134 11.729 18.385 1.00 1.00 C ATOM 678 C GLY A 47 38.075 12.581 19.228 1.00 1.00 C ATOM 679 O GLY A 47 39.295 12.415 19.173 1.00 1.00 O ATOM 0 H GLY A 47 35.561 12.878 17.603 1.00 1.00 H new ATOM 0 HA2 GLY A 47 37.120 10.709 18.768 1.00 1.00 H new ATOM 0 HA3 GLY A 47 37.502 11.680 17.360 1.00 1.00 H new ATOM 683 N LEU A 48 37.503 13.495 20.005 1.00 1.00 N ATOM 684 CA LEU A 48 38.302 14.370 20.856 1.00 1.00 C ATOM 685 C LEU A 48 38.264 13.891 22.304 1.00 1.00 C ATOM 686 O LEU A 48 38.838 14.522 23.191 1.00 1.00 O ATOM 687 CB LEU A 48 37.772 15.802 20.776 1.00 1.00 C ATOM 688 CG LEU A 48 37.569 16.191 19.310 1.00 1.00 C ATOM 689 CD1 LEU A 48 37.040 17.623 19.229 1.00 1.00 C ATOM 690 CD2 LEU A 48 38.906 16.099 18.570 1.00 1.00 C ATOM 0 H LEU A 48 36.496 13.649 20.063 1.00 1.00 H new ATOM 0 HA LEU A 48 39.333 14.344 20.504 1.00 1.00 H new ATOM 0 HB2 LEU A 48 36.830 15.883 21.318 1.00 1.00 H new ATOM 0 HB3 LEU A 48 38.474 16.488 21.251 1.00 1.00 H new ATOM 0 HG LEU A 48 36.850 15.513 18.851 1.00 1.00 H new ATOM 0 HD11 LEU A 48 36.896 17.899 18.184 1.00 1.00 H new ATOM 0 HD12 LEU A 48 36.089 17.690 19.757 1.00 1.00 H new ATOM 0 HD13 LEU A 48 37.758 18.303 19.688 1.00 1.00 H new ATOM 0 HD21 LEU A 48 38.763 16.376 17.525 1.00 1.00 H new ATOM 0 HD22 LEU A 48 39.624 16.778 19.030 1.00 1.00 H new ATOM 0 HD23 LEU A 48 39.284 15.078 18.627 1.00 1.00 H new ATOM 702 N VAL A 49 37.585 12.773 22.534 1.00 1.00 N ATOM 703 CA VAL A 49 37.477 12.219 23.879 1.00 1.00 C ATOM 704 C VAL A 49 38.579 11.192 24.125 1.00 1.00 C ATOM 705 O VAL A 49 38.674 10.616 25.209 1.00 1.00 O ATOM 706 CB VAL A 49 36.111 11.559 24.065 1.00 1.00 C ATOM 707 CG1 VAL A 49 36.058 10.864 25.427 1.00 1.00 C ATOM 708 CG2 VAL A 49 35.018 12.628 23.999 1.00 1.00 C ATOM 0 H VAL A 49 37.104 12.235 21.813 1.00 1.00 H new ATOM 0 HA VAL A 49 37.587 13.032 24.596 1.00 1.00 H new ATOM 0 HB VAL A 49 35.953 10.824 23.276 1.00 1.00 H new ATOM 0 HG11 VAL A 49 35.083 10.394 25.558 1.00 1.00 H new ATOM 0 HG12 VAL A 49 36.837 10.104 25.478 1.00 1.00 H new ATOM 0 HG13 VAL A 49 36.216 11.599 26.217 1.00 1.00 H new ATOM 0 HG21 VAL A 49 34.043 12.160 24.131 1.00 1.00 H new ATOM 0 HG22 VAL A 49 35.179 13.362 24.789 1.00 1.00 H new ATOM 0 HG23 VAL A 49 35.053 13.125 23.030 1.00 1.00 H new ATOM 718 N LEU A 50 39.410 10.969 23.111 1.00 1.00 N ATOM 719 CA LEU A 50 40.502 10.010 23.227 1.00 1.00 C ATOM 720 C LEU A 50 41.781 10.574 22.615 1.00 1.00 C ATOM 721 O LEU A 50 42.881 10.315 23.101 1.00 1.00 O ATOM 722 CB LEU A 50 40.129 8.704 22.522 1.00 1.00 C ATOM 723 CG LEU A 50 39.417 9.018 21.207 1.00 1.00 C ATOM 724 CD1 LEU A 50 39.884 8.041 20.126 1.00 1.00 C ATOM 725 CD2 LEU A 50 37.906 8.876 21.400 1.00 1.00 C ATOM 0 H LEU A 50 39.349 11.436 22.206 1.00 1.00 H new ATOM 0 HA LEU A 50 40.676 9.814 24.285 1.00 1.00 H new ATOM 0 HB2 LEU A 50 41.025 8.113 22.330 1.00 1.00 H new ATOM 0 HB3 LEU A 50 39.483 8.104 23.163 1.00 1.00 H new ATOM 0 HG LEU A 50 39.653 10.038 20.902 1.00 1.00 H new ATOM 0 HD11 LEU A 50 39.376 8.266 19.188 1.00 1.00 H new ATOM 0 HD12 LEU A 50 40.961 8.139 19.988 1.00 1.00 H new ATOM 0 HD13 LEU A 50 39.649 7.021 20.431 1.00 1.00 H new ATOM 0 HD21 LEU A 50 37.397 9.100 20.463 1.00 1.00 H new ATOM 0 HD22 LEU A 50 37.672 7.856 21.705 1.00 1.00 H new ATOM 0 HD23 LEU A 50 37.571 9.571 22.170 1.00 1.00 H new ATOM 737 N TRP A 51 41.627 11.347 21.543 1.00 1.00 N ATOM 738 CA TRP A 51 42.776 11.942 20.873 1.00 1.00 C ATOM 739 C TRP A 51 43.688 12.633 21.883 1.00 1.00 C ATOM 740 O TRP A 51 44.640 12.034 22.386 1.00 1.00 O ATOM 741 CB TRP A 51 42.305 12.957 19.831 1.00 1.00 C ATOM 742 CG TRP A 51 43.451 13.826 19.425 1.00 1.00 C ATOM 743 CD1 TRP A 51 44.607 13.385 18.878 1.00 1.00 C ATOM 744 CD2 TRP A 51 43.574 15.276 19.524 1.00 1.00 C ATOM 745 NE1 TRP A 51 45.430 14.469 18.634 1.00 1.00 N ATOM 746 CE2 TRP A 51 44.838 15.657 19.016 1.00 1.00 C ATOM 747 CE3 TRP A 51 42.718 16.286 20.001 1.00 1.00 C ATOM 748 CZ2 TRP A 51 45.240 16.992 18.982 1.00 1.00 C ATOM 749 CZ3 TRP A 51 43.120 17.632 19.969 1.00 1.00 C ATOM 750 CH2 TRP A 51 44.378 17.984 19.459 1.00 1.00 C ATOM 0 H TRP A 51 40.725 11.574 21.124 1.00 1.00 H new ATOM 0 HA TRP A 51 43.336 11.148 20.379 1.00 1.00 H new ATOM 0 HB2 TRP A 51 41.902 12.439 18.961 1.00 1.00 H new ATOM 0 HB3 TRP A 51 41.500 13.567 20.241 1.00 1.00 H new ATOM 0 HD1 TRP A 51 44.848 12.354 18.666 1.00 1.00 H new ATOM 0 HE1 TRP A 51 46.361 14.400 18.222 1.00 1.00 H new ATOM 0 HE3 TRP A 51 41.746 16.025 20.394 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 46.211 17.258 18.590 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 42.457 18.400 20.339 1.00 1.00 H new ATOM 0 HH2 TRP A 51 44.681 19.020 19.435 1.00 1.00 H new ATOM 761 N THR A 52 43.391 13.894 22.175 1.00 1.00 N ATOM 762 CA THR A 52 44.191 14.657 23.127 1.00 1.00 C ATOM 763 C THR A 52 44.558 13.796 24.331 1.00 1.00 C ATOM 764 O THR A 52 45.696 13.817 24.798 1.00 1.00 O ATOM 765 CB THR A 52 43.413 15.889 23.595 1.00 1.00 C ATOM 766 OG1 THR A 52 43.961 16.354 24.822 1.00 1.00 O ATOM 767 CG2 THR A 52 41.942 15.524 23.798 1.00 1.00 C ATOM 0 H THR A 52 42.608 14.407 21.770 1.00 1.00 H new ATOM 0 HA THR A 52 45.108 14.974 22.630 1.00 1.00 H new ATOM 0 HB THR A 52 43.488 16.672 22.841 1.00 1.00 H new ATOM 0 HG1 THR A 52 43.465 17.144 25.123 1.00 1.00 H new ATOM 0 HG21 THR A 52 41.391 16.404 24.131 1.00 1.00 H new ATOM 0 HG22 THR A 52 41.522 15.168 22.857 1.00 1.00 H new ATOM 0 HG23 THR A 52 41.862 14.740 24.551 1.00 1.00 H new ATOM 775 N VAL A 53 43.585 13.038 24.827 1.00 1.00 N ATOM 776 CA VAL A 53 43.816 12.173 25.978 1.00 1.00 C ATOM 777 C VAL A 53 45.049 11.304 25.756 1.00 1.00 C ATOM 778 O VAL A 53 45.812 11.042 26.687 1.00 1.00 O ATOM 779 CB VAL A 53 42.597 11.280 26.213 1.00 1.00 C ATOM 780 CG1 VAL A 53 42.683 10.654 27.605 1.00 1.00 C ATOM 781 CG2 VAL A 53 41.323 12.123 26.112 1.00 1.00 C ATOM 0 H VAL A 53 42.636 13.005 24.453 1.00 1.00 H new ATOM 0 HA VAL A 53 43.981 12.801 26.853 1.00 1.00 H new ATOM 0 HB VAL A 53 42.574 10.491 25.461 1.00 1.00 H new ATOM 0 HG11 VAL A 53 41.814 10.018 27.772 1.00 1.00 H new ATOM 0 HG12 VAL A 53 43.591 10.055 27.679 1.00 1.00 H new ATOM 0 HG13 VAL A 53 42.706 11.442 28.358 1.00 1.00 H new ATOM 0 HG21 VAL A 53 40.453 11.488 26.279 1.00 1.00 H new ATOM 0 HG22 VAL A 53 41.348 12.911 26.865 1.00 1.00 H new ATOM 0 HG23 VAL A 53 41.261 12.571 25.120 1.00 1.00 H new ATOM 791 N PHE A 54 45.239 10.857 24.519 1.00 1.00 N ATOM 792 CA PHE A 54 46.384 10.018 24.186 1.00 1.00 C ATOM 793 C PHE A 54 47.685 10.794 24.356 1.00 1.00 C ATOM 794 O PHE A 54 48.664 10.273 24.891 1.00 1.00 O ATOM 795 CB PHE A 54 46.266 9.523 22.743 1.00 1.00 C ATOM 796 CG PHE A 54 47.033 8.232 22.589 1.00 1.00 C ATOM 797 CD1 PHE A 54 46.404 7.008 22.848 1.00 1.00 C ATOM 798 CD2 PHE A 54 48.375 8.258 22.187 1.00 1.00 C ATOM 799 CE1 PHE A 54 47.115 5.811 22.704 1.00 1.00 C ATOM 800 CE2 PHE A 54 49.086 7.060 22.044 1.00 1.00 C ATOM 801 CZ PHE A 54 48.456 5.837 22.303 1.00 1.00 C ATOM 0 H PHE A 54 44.619 11.060 23.735 1.00 1.00 H new ATOM 0 HA PHE A 54 46.394 9.164 24.863 1.00 1.00 H new ATOM 0 HB2 PHE A 54 45.218 9.369 22.485 1.00 1.00 H new ATOM 0 HB3 PHE A 54 46.656 10.274 22.057 1.00 1.00 H new ATOM 0 HD1 PHE A 54 45.370 6.988 23.159 1.00 1.00 H new ATOM 0 HD2 PHE A 54 48.861 9.202 21.987 1.00 1.00 H new ATOM 0 HE1 PHE A 54 46.629 4.867 22.902 1.00 1.00 H new ATOM 0 HE2 PHE A 54 50.120 7.080 21.734 1.00 1.00 H new ATOM 0 HZ PHE A 54 49.005 4.913 22.193 1.00 1.00 H new ATOM 811 N ARG A 55 47.689 12.041 23.898 1.00 1.00 N ATOM 812 CA ARG A 55 48.876 12.880 24.004 1.00 1.00 C ATOM 813 C ARG A 55 48.741 13.857 25.168 1.00 1.00 C ATOM 814 O ARG A 55 49.392 14.901 25.194 1.00 1.00 O ATOM 815 CB ARG A 55 49.085 13.659 22.703 1.00 1.00 C ATOM 816 CG ARG A 55 48.874 12.726 21.509 1.00 1.00 C ATOM 817 CD ARG A 55 47.496 12.983 20.898 1.00 1.00 C ATOM 818 NE ARG A 55 47.206 11.988 19.871 1.00 1.00 N ATOM 819 CZ ARG A 55 47.671 12.122 18.634 1.00 1.00 C ATOM 820 NH1 ARG A 55 48.402 13.157 18.320 1.00 1.00 N ATOM 821 NH2 ARG A 55 47.399 11.218 17.732 1.00 1.00 N ATOM 0 H ARG A 55 46.889 12.491 23.453 1.00 1.00 H new ATOM 0 HA ARG A 55 49.737 12.236 24.183 1.00 1.00 H new ATOM 0 HB2 ARG A 55 48.388 14.496 22.652 1.00 1.00 H new ATOM 0 HB3 ARG A 55 50.090 14.080 22.676 1.00 1.00 H new ATOM 0 HG2 ARG A 55 49.651 12.892 20.763 1.00 1.00 H new ATOM 0 HG3 ARG A 55 48.954 11.687 21.827 1.00 1.00 H new ATOM 0 HD2 ARG A 55 46.733 12.947 21.676 1.00 1.00 H new ATOM 0 HD3 ARG A 55 47.463 13.983 20.465 1.00 1.00 H new ATOM 0 HE ARG A 55 46.636 11.175 20.107 1.00 1.00 H new ATOM 0 HH11 ARG A 55 48.616 13.863 19.025 1.00 1.00 H new ATOM 0 HH12 ARG A 55 48.759 13.260 17.370 1.00 1.00 H new ATOM 0 HH21 ARG A 55 46.829 10.408 17.977 1.00 1.00 H new ATOM 0 HH22 ARG A 55 47.756 11.321 16.782 1.00 1.00 H new ATOM 835 N LYS A 56 47.890 13.511 26.128 1.00 1.00 N ATOM 836 CA LYS A 56 47.674 14.361 27.288 1.00 1.00 C ATOM 837 C LYS A 56 48.644 13.990 28.407 1.00 1.00 C ATOM 838 O LYS A 56 49.266 14.859 29.017 1.00 1.00 O ATOM 839 CB LYS A 56 46.232 14.208 27.776 1.00 1.00 C ATOM 840 CG LYS A 56 46.042 14.981 29.082 1.00 1.00 C ATOM 841 CD LYS A 56 46.042 14.006 30.263 1.00 1.00 C ATOM 842 CE LYS A 56 44.686 13.299 30.343 1.00 1.00 C ATOM 843 NZ LYS A 56 43.853 13.942 31.398 1.00 1.00 N ATOM 0 H LYS A 56 47.342 12.651 26.124 1.00 1.00 H new ATOM 0 HA LYS A 56 47.851 15.398 27.004 1.00 1.00 H new ATOM 0 HB2 LYS A 56 45.541 14.579 27.019 1.00 1.00 H new ATOM 0 HB3 LYS A 56 46.000 13.154 27.930 1.00 1.00 H new ATOM 0 HG2 LYS A 56 46.841 15.713 29.202 1.00 1.00 H new ATOM 0 HG3 LYS A 56 45.104 15.535 29.055 1.00 1.00 H new ATOM 0 HD2 LYS A 56 46.840 13.273 30.143 1.00 1.00 H new ATOM 0 HD3 LYS A 56 46.239 14.543 31.191 1.00 1.00 H new ATOM 0 HE2 LYS A 56 44.178 13.353 29.380 1.00 1.00 H new ATOM 0 HE3 LYS A 56 44.827 12.242 30.570 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 42.932 13.463 31.453 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 44.337 13.868 32.315 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 43.708 14.945 31.163 1.00 1.00 H new